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 1d4c_1_A DATA FIRST_RESID 1 DATA SEQUENCE APEVLADFHG EMGGCDSCHV SDKGGVTNDN LTHENGQCVS CHGDLKELAA DATA SEQUENCE AAPKDKVSPH KSHLIGEIAC TSCHKGHEKS VAYCDACHSF GFDMPFGGKW DATA SEQUENCE ERKFVPVDAD KAAQDKAIAA GVKETTDVVI IGSGGAGLAA AVSARDAGAK DATA SEQUENCE VILLEKEPIP GGNTKLAAGG MNAAETKPQA KLGIEDKKQI MIDDTMKGGR DATA SEQUENCE NINDPELVKV LANNSSDSID WLTSMGADMT DVGRMGGASV NRSHRPTGGA DATA SEQUENCE GVGAHVAQVL WDNAVKRGTD IRLNSRVVRI LEDASGKVTG VLVKGEYTGY DATA SEQUENCE YVIKADAVVI AAGGFAKNNE RVSKYDPKLK GFKATNHPGA TGDGLDVALQ DATA SEQUENCE AGAATRDLEY IQAHPTYSPA GGVMITEAVR GNGAIVVNRE GNRFMNEITT DATA SEQUENCE RDKASAAILQ QKGESAYLVF DDSIRKSLKA IEGYVHLNIV KEGKTIEELA DATA SEQUENCE KQIDVPAAEL AKTVTAYNGF VKSGKDAQFE RPDLPRELVV APFYALEIAP DATA SEQUENCE AVHHTMGGLV IDTKAEVKSE KTGKPITGLY AAGEVTGGVH GANRLGGNAI DATA SEQUENCE SDIVTYGRIA GASAAKFAKD 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 0.000 177.658 177.584 0.123 0.000 1.274 1 A CA 0.000 52.099 52.037 0.103 0.000 0.836 1 A CB 0.000 19.052 19.000 0.086 0.000 0.831 2 P HA 0.603 nan 4.420 nan 0.000 0.262 2 P C -0.317 177.126 177.300 0.238 0.000 1.620 2 P CA 0.424 63.630 63.100 0.176 0.000 1.089 2 P CB 0.997 32.822 31.700 0.208 0.000 1.601 3 E N 1.745 122.055 120.200 0.182 0.000 2.325 3 E HA 0.628 4.977 4.350 -0.001 0.000 0.248 3 E C -0.539 176.134 176.600 0.122 0.000 0.912 3 E CA -0.632 55.928 56.400 0.267 0.000 0.782 3 E CB 1.387 31.285 29.700 0.331 0.000 1.264 3 E HN 0.518 nan 8.360 nan 0.000 0.417 4 V N -1.512 118.299 119.914 -0.171 0.000 3.175 4 V HA 0.426 4.546 4.120 -0.001 0.000 0.264 4 V C 0.602 176.176 176.094 -0.867 0.000 1.816 4 V CA -0.782 61.347 62.300 -0.285 0.000 0.989 4 V CB 0.675 32.427 31.823 -0.118 0.000 1.332 4 V HN 0.632 nan 8.190 nan 0.000 0.466 5 L N 1.004 121.851 121.223 -0.626 0.000 2.044 5 L HA 0.042 4.382 4.340 -0.001 0.000 0.205 5 L C 2.800 179.531 176.870 -0.231 0.000 1.075 5 L CA 2.370 56.897 54.840 -0.522 0.000 0.747 5 L CB -0.424 41.538 42.059 -0.160 0.000 0.903 5 L HN 1.071 nan 8.230 nan 0.000 0.435 6 A N -0.431 122.201 122.820 -0.314 0.000 1.972 6 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 6 A C 1.804 179.346 177.584 -0.070 0.000 1.169 6 A CA 1.780 53.662 52.037 -0.257 0.000 0.635 6 A CB -0.421 18.206 19.000 -0.622 0.000 0.810 6 A HN 0.411 nan 8.150 nan 0.000 0.446 7 D N -0.978 119.374 120.400 -0.081 0.000 2.117 7 D HA -0.112 4.527 4.640 -0.001 0.000 0.198 7 D C 1.600 177.912 176.300 0.019 0.000 0.982 7 D CA 1.091 55.088 54.000 -0.006 0.000 0.828 7 D CB -0.497 40.305 40.800 0.004 0.000 0.967 7 D HN 0.448 nan 8.370 nan 0.000 0.464 8 F N 1.887 121.731 119.950 -0.176 0.000 2.043 8 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 8 F C 2.260 178.041 175.800 -0.033 0.000 1.121 8 F CA 1.824 59.769 58.000 -0.092 0.000 1.199 8 F CB -0.681 38.216 39.000 -0.172 0.000 0.968 8 F HN 0.008 nan 8.300 nan 0.000 0.478 9 H N -0.298 118.706 119.070 -0.109 0.000 2.489 9 H HA 0.013 4.569 4.556 -0.001 0.000 0.293 9 H C 2.464 177.704 175.328 -0.147 0.000 1.066 9 H CA 1.003 56.954 56.048 -0.162 0.000 1.305 9 H CB -1.008 28.731 29.762 -0.038 0.000 1.386 9 H HN 0.442 nan 8.280 nan 0.000 0.551 10 G N 0.900 109.703 108.800 0.005 0.000 2.491 10 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.218 10 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.218 10 G C 1.446 176.315 174.900 -0.051 0.000 1.180 10 G CA 0.905 46.004 45.100 -0.001 0.000 0.774 10 G HN 0.444 nan 8.290 nan 0.000 0.562 11 E N -0.053 120.081 120.200 -0.109 0.000 2.219 11 E HA -0.164 4.185 4.350 -0.001 0.000 0.198 11 E C 2.396 178.909 176.600 -0.144 0.000 0.998 11 E CA 1.062 57.382 56.400 -0.133 0.000 0.818 11 E CB -0.192 29.388 29.700 -0.201 0.000 0.741 11 E HN 0.539 nan 8.360 nan 0.000 0.477 12 M N -1.224 118.272 119.600 -0.173 0.000 2.544 12 M HA 0.095 4.574 4.480 -0.001 0.000 0.251 12 M C 2.053 178.310 176.300 -0.073 0.000 1.189 12 M CA 1.462 56.676 55.300 -0.143 0.000 1.218 12 M CB 0.345 32.822 32.600 -0.205 0.000 1.259 12 M HN 0.097 nan 8.290 nan 0.000 0.495 13 G N -1.335 107.441 108.800 -0.040 0.000 3.342 13 G HA2 0.500 4.460 3.960 -0.001 0.000 0.252 13 G HA3 0.500 4.460 3.960 -0.001 0.000 0.252 13 G C 0.605 175.510 174.900 0.009 0.000 1.011 13 G CA 0.443 45.536 45.100 -0.012 0.000 0.869 13 G HN 0.666 nan 8.290 nan 0.000 0.514 14 G N -0.786 108.025 108.800 0.018 0.000 3.110 14 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.238 14 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.238 14 G C 0.733 175.673 174.900 0.067 0.000 1.647 14 G CA 0.484 45.606 45.100 0.037 0.000 1.146 14 G HN 0.724 nan 8.290 nan 0.000 0.545 15 C N 0.363 119.709 119.300 0.077 0.000 4.263 15 C HA 0.311 4.770 4.460 -0.001 0.000 0.563 15 C C 1.830 176.904 174.990 0.139 0.000 1.346 15 C CA 1.060 60.157 59.018 0.132 0.000 2.528 15 C CB -0.098 27.717 27.740 0.125 0.000 3.692 15 C HN 0.767 nan 8.230 nan 0.000 0.515 16 D N 1.286 121.743 120.400 0.096 0.000 2.371 16 D HA -0.041 4.599 4.640 -0.001 0.000 0.221 16 D C 1.705 178.049 176.300 0.074 0.000 0.986 16 D CA 0.700 54.758 54.000 0.096 0.000 0.899 16 D CB -0.540 40.302 40.800 0.070 0.000 0.902 16 D HN 0.289 nan 8.370 nan 0.000 0.530 17 S N -0.743 114.980 115.700 0.038 0.000 2.383 17 S HA -0.141 4.328 4.470 -0.001 0.000 0.229 17 S C 1.696 176.267 174.600 -0.049 0.000 1.030 17 S CA 1.123 59.327 58.200 0.006 0.000 1.002 17 S CB -0.078 63.134 63.200 0.019 0.000 0.829 17 S HN 0.512 nan 8.310 nan 0.000 0.467 18 C N -1.140 118.094 119.300 -0.109 0.000 2.735 18 C HA 0.338 4.797 4.460 -0.001 0.000 0.444 18 C C 0.646 175.515 174.990 -0.202 0.000 1.331 18 C CA -0.619 58.248 59.018 -0.252 0.000 2.225 18 C CB -0.463 27.003 27.740 -0.457 0.000 2.917 18 C HN 0.495 nan 8.230 nan 0.000 0.567 19 H N 0.791 119.934 119.070 0.122 0.000 2.481 19 H HA 0.250 4.806 4.556 -0.001 0.000 0.339 19 H C 1.194 176.584 175.328 0.105 0.000 1.131 19 H CA 0.023 56.146 56.048 0.125 0.000 1.301 19 H CB 1.106 30.896 29.762 0.047 0.000 1.476 19 H HN -0.056 nan 8.280 nan 0.000 0.529 20 V N 1.591 121.501 119.914 -0.007 0.000 2.380 20 V HA -0.195 3.924 4.120 -0.001 0.000 0.251 20 V C 1.448 177.500 176.094 -0.070 0.000 1.063 20 V CA 1.840 63.936 62.300 -0.339 0.000 1.055 20 V CB -0.471 31.090 31.823 -0.436 0.000 0.657 20 V HN 0.632 nan 8.190 nan 0.000 0.455 21 S N 0.465 116.164 115.700 -0.001 0.000 2.593 21 S HA 0.226 4.696 4.470 -0.001 0.000 0.297 21 S C 0.686 175.315 174.600 0.047 0.000 1.112 21 S CA -0.228 57.975 58.200 0.006 0.000 1.043 21 S CB 1.572 64.757 63.200 -0.025 0.000 1.054 21 S HN 0.600 nan 8.310 nan 0.000 0.516 22 D N 1.633 122.051 120.400 0.031 0.000 2.336 22 D HA 0.094 4.734 4.640 -0.001 0.000 0.229 22 D C 1.227 177.542 176.300 0.025 0.000 1.061 22 D CA 0.411 54.434 54.000 0.039 0.000 0.875 22 D CB -0.123 40.693 40.800 0.028 0.000 0.904 22 D HN 0.543 nan 8.370 nan 0.000 0.525 23 K N 0.543 120.946 120.400 0.006 0.000 2.354 23 K HA 0.445 4.765 4.320 -0.001 0.000 0.194 23 K C 1.191 177.766 176.600 -0.041 0.000 1.045 23 K CA 0.564 56.842 56.287 -0.015 0.000 1.026 23 K CB -0.133 32.350 32.500 -0.027 0.000 0.866 23 K HN 0.582 nan 8.250 nan 0.000 0.530 24 G N -1.873 106.894 108.800 -0.056 0.000 2.663 24 G HA2 0.477 4.437 3.960 -0.001 0.000 0.686 24 G HA3 0.477 4.437 3.960 -0.001 0.000 0.686 24 G C 0.419 175.117 174.900 -0.336 0.000 1.246 24 G CA -0.183 44.792 45.100 -0.208 0.000 0.795 24 G HN 1.933 nan 8.290 nan 0.000 0.627 25 G N -1.941 106.463 108.800 -0.660 0.000 2.465 25 G HA2 0.577 4.537 3.960 -0.001 0.000 0.681 25 G HA3 0.577 4.537 3.960 -0.001 0.000 0.681 25 G C -0.043 174.636 174.900 -0.369 0.000 1.340 25 G CA 0.555 45.416 45.100 -0.398 0.000 0.884 25 G HN 2.524 nan 8.290 nan 0.000 0.650 26 V N -1.460 118.362 119.914 -0.152 0.000 3.093 26 V HA 0.944 5.064 4.120 -0.001 0.000 0.320 26 V C 1.143 177.234 176.094 -0.005 0.000 1.093 26 V CA 0.901 63.190 62.300 -0.019 0.000 1.016 26 V CB 1.677 33.487 31.823 -0.022 0.000 1.096 26 V HN 2.103 nan 8.190 nan 0.000 0.452 27 T N -1.111 113.453 114.554 0.016 0.000 2.987 27 T HA 0.271 4.620 4.350 -0.001 0.000 0.248 27 T C 0.460 175.164 174.700 0.006 0.000 0.997 27 T CA 0.532 62.628 62.100 -0.006 0.000 1.013 27 T CB -0.622 68.230 68.868 -0.026 0.000 1.077 27 T HN 1.107 nan 8.240 nan 0.000 0.483 28 N N -0.177 118.546 118.700 0.039 0.000 2.235 28 N HA 0.286 5.026 4.740 -0.001 0.000 0.293 28 N C -0.589 174.999 175.510 0.130 0.000 1.083 28 N CA -0.683 52.402 53.050 0.058 0.000 0.801 28 N CB 1.963 40.474 38.487 0.040 0.000 1.559 28 N HN -0.292 nan 8.380 nan 0.000 0.472 29 D N 1.002 121.512 120.400 0.184 0.000 2.203 29 D HA -0.176 4.463 4.640 -0.001 0.000 0.199 29 D C 0.717 177.184 176.300 0.277 0.000 0.997 29 D CA 1.357 55.548 54.000 0.317 0.000 0.863 29 D CB -0.114 40.825 40.800 0.232 0.000 0.928 29 D HN 0.548 nan 8.370 nan 0.000 0.458 30 N N 0.274 119.079 118.700 0.175 0.000 2.453 30 N HA -0.082 4.657 4.740 -0.001 0.000 0.183 30 N C 0.724 176.297 175.510 0.105 0.000 1.041 30 N CA 0.083 53.220 53.050 0.145 0.000 0.900 30 N CB 0.014 38.571 38.487 0.118 0.000 0.961 30 N HN 0.043 nan 8.380 nan 0.000 0.443 31 L N 0.597 121.867 121.223 0.078 0.000 3.717 31 L HA -0.242 4.097 4.340 -0.001 0.000 0.411 31 L C 1.254 178.153 176.870 0.048 0.000 1.233 31 L CA 0.540 55.394 54.840 0.023 0.000 0.917 31 L CB -2.644 39.389 42.059 -0.043 0.000 1.902 31 L HN 0.162 nan 8.230 nan 0.000 0.894 32 T N -2.857 111.741 114.554 0.074 0.000 2.607 32 T HA -0.276 4.073 4.350 -0.001 0.000 0.267 32 T C 1.556 176.304 174.700 0.080 0.000 1.049 32 T CA 1.794 63.940 62.100 0.075 0.000 1.162 32 T CB -0.254 68.665 68.868 0.085 0.000 0.863 32 T HN 0.674 nan 8.240 nan 0.000 0.424 33 H N 1.358 120.431 119.070 0.005 0.000 2.276 33 H HA -0.087 4.469 4.556 -0.001 0.000 0.301 33 H C 2.355 177.664 175.328 -0.031 0.000 1.073 33 H CA 1.939 57.984 56.048 -0.004 0.000 1.311 33 H CB -0.026 29.742 29.762 0.010 0.000 1.379 33 H HN 0.310 nan 8.280 nan 0.000 0.494 34 E N 0.742 120.953 120.200 0.019 0.000 2.065 34 E HA -0.204 4.146 4.350 -0.001 0.000 0.201 34 E C 2.076 178.602 176.600 -0.123 0.000 1.016 34 E CA 1.854 58.190 56.400 -0.106 0.000 0.818 34 E CB -0.392 29.235 29.700 -0.121 0.000 0.749 34 E HN 0.549 nan 8.360 nan 0.000 0.453 35 N N -0.418 118.239 118.700 -0.072 0.000 2.084 35 N HA -0.101 4.639 4.740 -0.001 0.000 0.190 35 N C 1.834 177.298 175.510 -0.076 0.000 1.030 35 N CA 1.370 54.385 53.050 -0.057 0.000 0.849 35 N CB -0.524 37.952 38.487 -0.019 0.000 1.012 35 N HN 0.287 nan 8.380 nan 0.000 0.423 36 G N 0.676 109.416 108.800 -0.099 0.000 2.469 36 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.219 36 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.219 36 G C 1.476 176.282 174.900 -0.157 0.000 1.150 36 G CA 0.737 45.764 45.100 -0.122 0.000 0.763 36 G HN 0.198 nan 8.290 nan 0.000 0.561 37 Q N 0.031 119.692 119.800 -0.233 0.000 2.050 37 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 37 Q C 2.920 178.867 176.000 -0.089 0.000 0.980 37 Q CA 1.280 56.969 55.803 -0.191 0.000 0.840 37 Q CB -1.040 27.563 28.738 -0.226 0.000 0.898 37 Q HN 0.553 nan 8.270 nan 0.000 0.424 38 C N -0.219 119.040 119.300 -0.069 0.000 2.398 38 C HA -0.110 4.350 4.460 -0.001 0.000 0.276 38 C C 2.855 177.877 174.990 0.053 0.000 1.222 38 C CA 0.756 59.788 59.018 0.023 0.000 1.746 38 C CB -1.175 26.555 27.740 -0.017 0.000 2.039 38 C HN 0.258 nan 8.230 nan 0.000 0.470 39 V N 2.035 121.943 119.914 -0.009 0.000 2.427 39 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 39 V C 2.673 178.757 176.094 -0.016 0.000 1.051 39 V CA 2.296 64.592 62.300 -0.007 0.000 1.048 39 V CB -1.006 30.804 31.823 -0.022 0.000 0.666 39 V HN 0.786 nan 8.190 nan 0.000 0.456 40 S N -0.293 115.383 115.700 -0.041 0.000 2.359 40 S HA -0.289 4.181 4.470 -0.001 0.000 0.223 40 S C 1.963 176.525 174.600 -0.062 0.000 1.039 40 S CA 2.110 60.279 58.200 -0.052 0.000 1.042 40 S CB -1.135 62.025 63.200 -0.067 0.000 0.915 40 S HN 0.571 nan 8.310 nan 0.000 0.439 41 C N 0.729 119.981 119.300 -0.080 0.000 2.485 41 C HA 0.231 4.691 4.460 -0.001 0.000 0.278 41 C C 2.326 177.160 174.990 -0.260 0.000 1.356 41 C CA 0.305 59.208 59.018 -0.193 0.000 1.747 41 C CB -1.274 26.292 27.740 -0.290 0.000 2.001 41 C HN 0.683 nan 8.230 nan 0.000 0.501 42 H N -0.290 118.758 119.070 -0.036 0.000 2.755 42 H HA 0.333 4.888 4.556 -0.000 0.000 0.273 42 H C 1.245 176.537 175.328 -0.061 0.000 1.055 42 H CA 1.012 57.033 56.048 -0.044 0.000 1.191 42 H CB 0.495 30.222 29.762 -0.058 0.000 1.536 42 H HN 0.545 nan 8.280 nan 0.000 0.529 43 G N 2.063 110.889 108.800 0.045 0.000 2.603 43 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.686 43 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.686 43 G C -1.217 173.671 174.900 -0.019 0.000 1.286 43 G CA -0.311 44.790 45.100 0.001 0.000 0.871 43 G HN 0.362 nan 8.290 nan 0.000 0.568 44 D N -1.160 119.220 120.400 -0.034 0.000 2.525 44 D HA 0.628 5.268 4.640 -0.001 0.000 0.249 44 D C 1.962 178.220 176.300 -0.071 0.000 1.072 44 D CA -0.627 53.345 54.000 -0.047 0.000 1.067 44 D CB 0.399 41.184 40.800 -0.025 0.000 1.282 44 D HN 0.486 nan 8.370 nan 0.000 0.587 45 L N -0.371 120.813 121.223 -0.065 0.000 2.010 45 L HA -0.306 4.034 4.340 -0.001 0.000 0.219 45 L C 2.870 179.721 176.870 -0.032 0.000 1.077 45 L CA 3.052 57.857 54.840 -0.060 0.000 0.773 45 L CB -1.198 40.847 42.059 -0.023 0.000 0.892 45 L HN 0.715 nan 8.230 nan 0.000 0.436 46 K N 0.418 120.808 120.400 -0.016 0.000 2.015 46 K HA -0.271 4.049 4.320 -0.001 0.000 0.216 46 K C 1.784 178.378 176.600 -0.010 0.000 1.052 46 K CA 2.197 58.480 56.287 -0.007 0.000 0.937 46 K CB -1.289 31.210 32.500 -0.003 0.000 0.719 46 K HN 0.602 nan 8.250 nan 0.000 0.446 47 E N 0.324 120.512 120.200 -0.019 0.000 2.118 47 E HA -0.100 4.250 4.350 -0.001 0.000 0.195 47 E C 2.268 178.855 176.600 -0.021 0.000 0.992 47 E CA 1.228 57.617 56.400 -0.018 0.000 0.804 47 E CB -0.298 29.391 29.700 -0.020 0.000 0.741 47 E HN 0.490 nan 8.360 nan 0.000 0.458 48 L N 0.690 121.881 121.223 -0.054 0.000 2.005 48 L HA -0.162 4.178 4.340 -0.001 0.000 0.207 48 L C 2.691 179.585 176.870 0.039 0.000 1.072 48 L CA 1.001 55.805 54.840 -0.061 0.000 0.744 48 L CB -0.565 41.301 42.059 -0.321 0.000 0.895 48 L HN 0.154 nan 8.230 nan 0.000 0.433 49 A N 0.196 123.041 122.820 0.043 0.000 1.917 49 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 49 A C 2.524 180.123 177.584 0.025 0.000 1.182 49 A CA 1.953 54.022 52.037 0.053 0.000 0.633 49 A CB -0.857 18.162 19.000 0.031 0.000 0.819 49 A HN 0.444 nan 8.150 nan 0.000 0.448 50 A N -0.586 122.242 122.820 0.012 0.000 1.997 50 A HA 0.051 4.371 4.320 -0.001 0.000 0.221 50 A C 2.268 179.855 177.584 0.005 0.000 1.172 50 A CA 2.366 54.406 52.037 0.005 0.000 0.645 50 A CB -0.731 18.270 19.000 0.001 0.000 0.813 50 A HN 1.263 nan 8.150 nan 0.000 0.454 51 A N -1.491 121.336 122.820 0.012 0.000 2.267 51 A HA 0.660 4.980 4.320 -0.001 0.000 0.213 51 A C 1.247 178.838 177.584 0.012 0.000 1.192 51 A CA 0.735 52.779 52.037 0.012 0.000 0.851 51 A CB -0.577 18.433 19.000 0.016 0.000 0.881 51 A HN 0.974 nan 8.150 nan 0.000 0.494 52 A N 0.917 123.745 122.820 0.013 0.000 2.346 52 A HA 0.534 4.854 4.320 -0.001 0.000 0.252 52 A C -2.245 175.332 177.584 -0.011 0.000 1.089 52 A CA -1.064 50.974 52.037 0.002 0.000 0.797 52 A CB -0.644 18.351 19.000 -0.008 0.000 1.047 52 A HN 0.224 nan 8.150 nan 0.000 0.494 53 P HA 0.037 nan 4.420 nan 0.000 0.262 53 P C 0.208 177.488 177.300 -0.033 0.000 1.182 53 P CA 0.039 63.126 63.100 -0.023 0.000 0.761 53 P CB 0.389 32.074 31.700 -0.025 0.000 0.795 54 K N 1.510 121.890 120.400 -0.033 0.000 2.574 54 K HA -0.053 4.267 4.320 -0.001 0.000 0.193 54 K C 0.379 176.945 176.600 -0.057 0.000 1.035 54 K CA 0.854 57.117 56.287 -0.041 0.000 0.982 54 K CB -0.149 32.331 32.500 -0.033 0.000 0.795 54 K HN 0.526 nan 8.250 nan 0.000 0.491 55 D N 0.583 120.947 120.400 -0.061 0.000 2.279 55 D HA 0.092 4.731 4.640 -0.001 0.000 0.285 55 D C 0.203 176.442 176.300 -0.102 0.000 1.167 55 D CA 0.217 54.171 54.000 -0.077 0.000 1.064 55 D CB 0.523 41.286 40.800 -0.061 0.000 1.108 55 D HN -0.148 nan 8.370 nan 0.000 0.428 56 K N -0.420 119.916 120.400 -0.106 0.000 2.148 56 K HA 0.465 4.784 4.320 -0.001 0.000 0.239 56 K C -0.804 175.710 176.600 -0.143 0.000 1.018 56 K CA -0.861 55.342 56.287 -0.140 0.000 0.923 56 K CB 1.166 33.578 32.500 -0.147 0.000 1.117 56 K HN 0.007 nan 8.250 nan 0.000 0.477 57 V N 1.499 121.287 119.914 -0.209 0.000 3.319 57 V HA -0.210 3.910 4.120 -0.001 0.000 0.278 57 V C 0.096 176.122 176.094 -0.113 0.000 1.349 57 V CA 0.654 62.789 62.300 -0.276 0.000 1.385 57 V CB -1.094 30.327 31.823 -0.671 0.000 0.773 57 V HN 0.762 nan 8.190 nan 0.000 0.376 58 S N 7.107 122.749 115.700 -0.097 0.000 2.472 58 S HA 0.682 5.152 4.470 -0.001 0.000 0.303 58 S C -1.089 173.379 174.600 -0.220 0.000 1.099 58 S CA -1.486 56.640 58.200 -0.122 0.000 1.077 58 S CB 2.123 65.258 63.200 -0.108 0.000 1.031 58 S HN 0.583 nan 8.310 nan 0.000 0.487 59 P HA 0.064 nan 4.420 nan 0.000 0.237 59 P C 0.061 177.112 177.300 -0.415 0.000 1.178 59 P CA 0.921 63.651 63.100 -0.618 0.000 0.766 59 P CB -0.283 30.759 31.700 -1.096 0.000 0.876 60 H N -1.405 117.583 119.070 -0.136 0.000 2.586 60 H HA 0.277 4.833 4.556 -0.000 0.000 0.273 60 H C 0.493 175.781 175.328 -0.066 0.000 0.997 60 H CA -0.199 55.798 56.048 -0.085 0.000 1.177 60 H CB 0.468 30.192 29.762 -0.064 0.000 1.471 60 H HN -0.051 nan 8.280 nan 0.000 0.538 61 K N 1.741 122.145 120.400 0.007 0.000 2.675 61 K HA 0.231 4.551 4.320 -0.001 0.000 0.224 61 K C -0.889 175.683 176.600 -0.046 0.000 1.003 61 K CA -0.421 55.859 56.287 -0.011 0.000 1.034 61 K CB 0.864 33.359 32.500 -0.009 0.000 1.218 61 K HN 0.183 nan 8.250 nan 0.000 0.507 62 S N 1.249 116.910 115.700 -0.065 0.000 2.874 62 S HA 0.335 4.805 4.470 -0.001 0.000 0.318 62 S C 0.374 174.905 174.600 -0.116 0.000 1.109 62 S CA -0.452 57.665 58.200 -0.139 0.000 0.878 62 S CB 0.394 63.466 63.200 -0.213 0.000 1.307 62 S HN 0.722 nan 8.310 nan 0.000 0.592 63 H N -0.412 118.685 119.070 0.045 0.000 2.542 63 H HA 0.540 5.095 4.556 -0.001 0.000 0.283 63 H C 0.017 175.359 175.328 0.023 0.000 1.059 63 H CA -0.675 55.393 56.048 0.034 0.000 1.162 63 H CB -0.875 28.913 29.762 0.044 0.000 1.539 63 H HN 0.350 nan 8.280 nan 0.000 0.543 64 L N 1.570 122.770 121.223 -0.039 0.000 2.461 64 L HA 0.170 4.510 4.340 -0.001 0.000 0.272 64 L C 0.294 177.135 176.870 -0.048 0.000 1.197 64 L CA -0.630 54.209 54.840 -0.001 0.000 0.836 64 L CB 0.330 42.342 42.059 -0.078 0.000 1.105 64 L HN 0.302 nan 8.230 nan 0.000 0.477 65 I N -0.592 119.912 120.570 -0.110 0.000 2.822 65 I HA 0.978 5.148 4.170 -0.001 0.000 0.312 65 I C 0.571 176.442 176.117 -0.409 0.000 1.011 65 I CA -0.245 60.949 61.300 -0.176 0.000 1.105 65 I CB 1.424 39.344 38.000 -0.134 0.000 1.291 65 I HN 0.735 nan 8.210 nan 0.000 0.474 66 G N 1.982 110.480 108.800 -0.503 0.000 2.681 66 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.220 66 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.220 66 G C -0.626 173.942 174.900 -0.553 0.000 1.353 66 G CA -0.445 44.000 45.100 -1.091 0.000 0.872 66 G HN 0.887 nan 8.290 nan 0.000 0.557 67 E N -0.072 119.863 120.200 -0.442 0.000 2.129 67 E HA 0.467 4.816 4.350 -0.001 0.000 0.283 67 E C 0.231 176.754 176.600 -0.127 0.000 1.080 67 E CA -0.482 55.882 56.400 -0.061 0.000 0.867 67 E CB 1.006 30.824 29.700 0.197 0.000 1.056 67 E HN 0.977 nan 8.360 nan 0.000 0.404 68 I N 2.173 122.685 120.570 -0.097 0.000 2.337 68 I HA 0.451 4.620 4.170 -0.001 0.000 0.285 68 I C -0.123 175.971 176.117 -0.039 0.000 1.041 68 I CA -0.729 60.514 61.300 -0.095 0.000 1.199 68 I CB 0.813 38.740 38.000 -0.122 0.000 1.370 68 I HN 0.371 nan 8.210 nan 0.000 0.470 69 A N 5.427 128.235 122.820 -0.020 0.000 2.520 69 A HA 0.165 4.485 4.320 -0.001 0.000 0.235 69 A C 1.429 179.023 177.584 0.017 0.000 1.065 69 A CA 0.177 52.218 52.037 0.007 0.000 0.764 69 A CB -0.164 18.850 19.000 0.024 0.000 1.002 69 A HN 1.029 nan 8.150 nan 0.000 0.502 70 C N 0.570 119.890 119.300 0.033 0.000 2.442 70 C HA -0.134 4.326 4.460 -0.001 0.000 0.279 70 C C 3.021 178.068 174.990 0.094 0.000 1.237 70 C CA 1.730 60.796 59.018 0.080 0.000 1.722 70 C CB -1.693 26.074 27.740 0.044 0.000 2.056 70 C HN 1.013 nan 8.230 nan 0.000 0.469 71 T N 0.449 115.034 114.554 0.053 0.000 3.052 71 T HA -0.134 4.215 4.350 -0.001 0.000 0.270 71 T C 1.363 176.106 174.700 0.071 0.000 1.147 71 T CA 1.550 63.680 62.100 0.050 0.000 1.089 71 T CB -0.651 68.218 68.868 0.003 0.000 0.875 71 T HN 0.655 nan 8.240 nan 0.000 0.541 72 S N -1.678 114.060 115.700 0.063 0.000 2.720 72 S HA 0.207 4.676 4.470 -0.001 0.000 0.222 72 S C 1.312 175.976 174.600 0.107 0.000 0.958 72 S CA -0.014 58.233 58.200 0.077 0.000 0.943 72 S CB -0.806 62.395 63.200 0.002 0.000 0.779 72 S HN 0.660 nan 8.310 nan 0.000 0.526 73 C N -0.688 118.650 119.300 0.064 0.000 3.928 73 C HA 0.262 4.722 4.460 -0.001 0.000 0.479 73 C C -0.181 174.755 174.990 -0.091 0.000 1.113 73 C CA -0.352 58.665 59.018 -0.003 0.000 2.355 73 C CB -0.420 27.231 27.740 -0.148 0.000 3.070 73 C HN 0.596 nan 8.230 nan 0.000 0.412 74 H N 2.877 121.987 119.070 0.067 0.000 2.911 74 H HA 0.279 4.835 4.556 -0.000 0.000 0.273 74 H C -0.343 174.998 175.328 0.021 0.000 1.157 74 H CA 0.570 56.644 56.048 0.044 0.000 1.402 74 H CB 0.351 30.119 29.762 0.011 0.000 1.463 74 H HN 0.337 nan 8.280 nan 0.000 0.475 75 K N 1.745 122.218 120.400 0.122 0.000 2.174 75 K HA 0.173 4.492 4.320 -0.001 0.000 0.275 75 K C 1.321 177.916 176.600 -0.008 0.000 1.015 75 K CA -0.394 55.934 56.287 0.069 0.000 0.933 75 K CB 1.846 34.396 32.500 0.083 0.000 1.025 75 K HN 0.663 nan 8.250 nan 0.000 0.463 76 G N 1.427 110.181 108.800 -0.077 0.000 2.417 76 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.212 76 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.212 76 G C 0.652 175.291 174.900 -0.434 0.000 1.187 76 G CA 0.314 45.234 45.100 -0.301 0.000 0.804 76 G HN 0.624 nan 8.290 nan 0.000 0.534 77 H N 0.628 119.713 119.070 0.024 0.000 2.469 77 H HA 0.248 4.803 4.556 -0.001 0.000 0.286 77 H C 0.056 175.402 175.328 0.031 0.000 1.106 77 H CA 0.251 56.313 56.048 0.024 0.000 1.055 77 H CB 0.467 30.252 29.762 0.038 0.000 1.618 77 H HN 0.597 nan 8.280 nan 0.000 0.559 78 E N 0.038 120.293 120.200 0.091 0.000 2.447 78 E HA 0.317 4.667 4.350 -0.001 0.000 0.279 78 E C -1.036 175.607 176.600 0.072 0.000 1.053 78 E CA -0.993 55.456 56.400 0.082 0.000 0.840 78 E CB 1.982 31.730 29.700 0.081 0.000 1.409 78 E HN -0.111 nan 8.360 nan 0.000 0.461 79 K N 0.532 120.978 120.400 0.077 0.000 2.336 79 K HA 0.183 4.502 4.320 -0.001 0.000 0.262 79 K C -0.406 176.255 176.600 0.102 0.000 0.992 79 K CA 0.387 56.736 56.287 0.103 0.000 0.927 79 K CB 0.596 33.155 32.500 0.099 0.000 0.956 79 K HN 0.551 nan 8.250 nan 0.000 0.495 80 S N 0.311 116.093 115.700 0.135 0.000 2.537 80 S HA 0.599 5.069 4.470 -0.001 0.000 0.301 80 S C -0.735 173.933 174.600 0.114 0.000 1.092 80 S CA -1.078 57.196 58.200 0.123 0.000 1.048 80 S CB 1.810 65.097 63.200 0.145 0.000 1.053 80 S HN 0.216 nan 8.310 nan 0.000 0.501 81 V N 1.235 121.220 119.914 0.119 0.000 2.709 81 V HA 0.745 4.864 4.120 -0.001 0.000 0.308 81 V C 0.292 176.494 176.094 0.181 0.000 1.062 81 V CA -0.995 61.406 62.300 0.169 0.000 0.901 81 V CB 1.693 33.653 31.823 0.228 0.000 1.003 81 V HN 1.194 nan 8.190 nan 0.000 0.425 82 A N 2.598 125.528 122.820 0.183 0.000 2.440 82 A HA 0.329 4.649 4.320 -0.001 0.000 0.251 82 A C 0.569 178.322 177.584 0.282 0.000 1.089 82 A CA 0.068 52.205 52.037 0.167 0.000 0.779 82 A CB -0.128 18.992 19.000 0.201 0.000 1.022 82 A HN 0.982 nan 8.150 nan 0.000 0.492 83 Y N 1.766 122.160 120.300 0.158 0.000 2.333 83 Y HA -0.257 4.293 4.550 0.000 0.000 0.290 83 Y C 2.267 178.186 175.900 0.033 0.000 1.144 83 Y CA 2.266 60.473 58.100 0.179 0.000 1.228 83 Y CB -0.224 38.327 38.460 0.153 0.000 0.985 83 Y HN 0.711 nan 8.280 nan 0.000 0.542 84 C N 0.113 119.543 119.300 0.217 0.000 2.403 84 C HA -0.215 4.244 4.460 -0.001 0.000 0.279 84 C C 2.209 177.177 174.990 -0.036 0.000 1.269 84 C CA 1.051 60.185 59.018 0.193 0.000 1.774 84 C CB -1.151 26.855 27.740 0.442 0.000 1.993 84 C HN 0.544 nan 8.230 nan 0.000 0.496 85 D N 1.154 121.524 120.400 -0.050 0.000 2.182 85 D HA -0.083 4.556 4.640 -0.001 0.000 0.201 85 D C 2.211 178.189 176.300 -0.537 0.000 0.986 85 D CA 1.553 55.471 54.000 -0.137 0.000 0.847 85 D CB -0.388 40.478 40.800 0.110 0.000 0.942 85 D HN 0.536 nan 8.370 nan 0.000 0.467 86 A N -0.813 121.324 122.820 -1.138 0.000 2.125 86 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 86 A C 1.963 179.044 177.584 -0.838 0.000 1.156 86 A CA 1.332 52.309 52.037 -1.767 0.000 0.671 86 A CB -0.123 17.651 19.000 -2.045 0.000 0.794 86 A HN 0.418 nan 8.150 nan 0.000 0.459 87 C N -3.565 115.408 119.300 -0.546 0.000 3.984 87 C HA 0.337 4.797 4.460 -0.001 0.000 0.569 87 C C 0.984 175.665 174.990 -0.515 0.000 1.383 87 C CA -0.615 58.129 59.018 -0.456 0.000 2.516 87 C CB -0.552 26.934 27.740 -0.424 0.000 3.723 87 C HN 0.600 nan 8.230 nan 0.000 0.541 88 H N 0.472 119.303 119.070 -0.398 0.000 2.994 88 H HA 0.510 5.065 4.556 -0.000 0.000 0.276 88 H C -0.437 174.535 175.328 -0.593 0.000 1.575 88 H CA 0.013 55.683 56.048 -0.629 0.000 1.583 88 H CB 1.181 30.180 29.762 -1.273 0.000 1.735 88 H HN 0.032 nan 8.280 nan 0.000 0.901 89 S N 0.547 115.918 115.700 -0.548 0.000 2.605 89 S HA 0.179 4.648 4.470 -0.001 0.000 0.142 89 S C 0.071 174.485 174.600 -0.310 0.000 1.452 89 S CA -0.464 57.542 58.200 -0.323 0.000 1.240 89 S CB -0.439 62.655 63.200 -0.176 0.000 1.538 89 S HN 0.399 nan 8.310 nan 0.000 0.394 90 F N 1.412 121.193 119.950 -0.282 0.000 2.789 90 F HA 0.216 4.743 4.527 0.000 0.000 0.300 90 F C 1.791 177.298 175.800 -0.488 0.000 1.132 90 F CA -0.055 57.637 58.000 -0.513 0.000 1.404 90 F CB 0.248 38.628 39.000 -1.033 0.000 1.114 90 F HN 0.646 nan 8.300 nan 0.000 0.584 91 G N 1.962 110.670 108.800 -0.153 0.000 2.334 91 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.279 91 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.279 91 G C -0.139 174.757 174.900 -0.005 0.000 0.918 91 G CA -0.221 44.851 45.100 -0.047 0.000 1.314 91 G HN 0.326 nan 8.290 nan 0.000 0.463 92 F N -0.456 119.541 119.950 0.079 0.000 2.380 92 F HA 0.295 4.822 4.527 -0.000 0.000 0.325 92 F C 1.154 176.964 175.800 0.017 0.000 1.136 92 F CA -0.539 57.485 58.000 0.041 0.000 1.171 92 F CB 0.900 39.922 39.000 0.037 0.000 1.230 92 F HN 0.158 nan 8.300 nan 0.000 0.554 93 D N 2.636 123.171 120.400 0.224 0.000 2.563 93 D HA 0.136 4.776 4.640 -0.001 0.000 0.222 93 D C -0.463 175.865 176.300 0.046 0.000 1.145 93 D CA -0.347 53.709 54.000 0.093 0.000 1.001 93 D CB 0.084 40.908 40.800 0.040 0.000 1.049 93 D HN 0.193 nan 8.370 nan 0.000 0.515 94 M N 3.867 123.505 119.600 0.064 0.000 2.194 94 M HA 0.298 4.777 4.480 -0.001 0.000 0.347 94 M C -2.365 173.919 176.300 -0.027 0.000 1.439 94 M CA -1.889 53.432 55.300 0.035 0.000 1.131 94 M CB 0.722 33.362 32.600 0.068 0.000 1.733 94 M HN -0.000 nan 8.290 nan 0.000 0.467 95 P HA 0.079 nan 4.420 nan 0.000 0.267 95 P C -0.675 176.491 177.300 -0.225 0.000 1.209 95 P CA 0.362 63.248 63.100 -0.356 0.000 0.763 95 P CB -0.235 31.244 31.700 -0.368 0.000 0.816 96 F N -0.250 119.691 119.950 -0.015 0.000 3.018 96 F HA -0.195 4.331 4.527 -0.001 0.000 0.287 96 F C 1.277 177.098 175.800 0.035 0.000 0.813 96 F CA 0.524 58.528 58.000 0.007 0.000 1.209 96 F CB -2.141 36.864 39.000 0.009 0.000 1.321 96 F HN 0.457 nan 8.300 nan 0.000 0.477 97 G N 0.702 109.570 108.800 0.114 0.000 2.441 97 G HA2 0.486 4.445 3.960 -0.001 0.000 0.243 97 G HA3 0.486 4.445 3.960 -0.001 0.000 0.243 97 G C 0.490 175.449 174.900 0.099 0.000 1.281 97 G CA 0.317 45.480 45.100 0.104 0.000 0.854 97 G HN 0.579 nan 8.290 nan 0.000 0.560 98 G N -0.617 108.242 108.800 0.098 0.000 3.108 98 G HA2 0.851 4.811 3.960 -0.001 0.000 0.268 98 G HA3 0.851 4.811 3.960 -0.001 0.000 0.268 98 G C -0.400 174.553 174.900 0.087 0.000 1.361 98 G CA -0.022 45.126 45.100 0.080 0.000 1.047 98 G HN 0.924 nan 8.290 nan 0.000 0.540 99 K N -0.696 119.749 120.400 0.075 0.000 2.185 99 K HA 0.556 4.875 4.320 -0.001 0.000 0.240 99 K C -0.443 176.227 176.600 0.117 0.000 0.983 99 K CA -0.934 55.417 56.287 0.107 0.000 0.873 99 K CB 1.160 33.713 32.500 0.089 0.000 1.118 99 K HN 0.693 nan 8.250 nan 0.000 0.441 100 W N 3.255 124.562 121.300 0.011 0.000 2.368 100 W HA 0.334 4.993 4.660 -0.001 0.000 0.316 100 W C -0.878 175.639 176.519 -0.003 0.000 1.375 100 W CA 0.499 57.842 57.345 -0.003 0.000 1.261 100 W CB 0.273 29.713 29.460 -0.033 0.000 1.298 100 W HN 0.842 nan 8.180 nan 0.000 0.539 101 E N 4.933 124.724 120.200 -0.681 0.000 2.321 101 E HA 0.492 4.842 4.350 -0.001 0.000 0.278 101 E C -1.357 174.918 176.600 -0.541 0.000 0.902 101 E CA -0.860 55.290 56.400 -0.417 0.000 0.758 101 E CB 1.641 31.249 29.700 -0.153 0.000 1.213 101 E HN 0.318 nan 8.360 nan 0.000 0.426 102 R N 1.180 121.524 120.500 -0.259 0.000 2.473 102 R HA 0.599 4.939 4.340 -0.001 0.000 0.303 102 R C -0.866 175.424 176.300 -0.017 0.000 1.002 102 R CA -0.735 55.269 56.100 -0.159 0.000 0.884 102 R CB 1.522 31.802 30.300 -0.035 0.000 1.173 102 R HN 0.746 nan 8.270 nan 0.000 0.464 103 K N 3.364 123.746 120.400 -0.030 0.000 2.249 103 K HA 0.200 4.520 4.320 -0.001 0.000 0.280 103 K C -0.519 176.122 176.600 0.068 0.000 1.033 103 K CA -0.343 55.958 56.287 0.023 0.000 0.946 103 K CB 0.521 33.014 32.500 -0.011 0.000 1.005 103 K HN 0.467 nan 8.250 nan 0.000 0.469 104 F N 3.086 123.035 119.950 -0.003 0.000 2.472 104 F HA 0.412 4.940 4.527 0.001 0.000 0.364 104 F C -0.153 175.647 175.800 0.000 0.000 1.090 104 F CA -0.477 57.526 58.000 0.005 0.000 1.188 104 F CB 0.619 39.626 39.000 0.011 0.000 1.105 104 F HN 0.250 nan 8.300 nan 0.000 0.536 105 V N 7.976 127.399 119.914 -0.819 0.000 2.417 105 V HA 0.395 4.514 4.120 -0.001 0.000 0.291 105 V C -2.123 173.372 176.094 -0.998 0.000 1.024 105 V CA -2.054 59.866 62.300 -0.633 0.000 0.861 105 V CB 1.152 32.780 31.823 -0.325 0.000 0.985 105 V HN 0.646 nan 8.190 nan 0.000 0.436 106 P HA 0.084 nan 4.420 nan 0.000 0.271 106 P C 1.107 178.292 177.300 -0.193 0.000 1.220 106 P CA 0.018 62.930 63.100 -0.314 0.000 0.768 106 P CB 1.401 33.076 31.700 -0.041 0.000 0.848 107 V N 0.402 120.254 119.914 -0.104 0.000 2.546 107 V HA -0.252 3.867 4.120 -0.001 0.000 0.254 107 V C 2.016 178.100 176.094 -0.017 0.000 1.076 107 V CA 2.383 64.662 62.300 -0.036 0.000 1.087 107 V CB -2.244 29.590 31.823 0.018 0.000 0.674 107 V HN 0.486 nan 8.190 nan 0.000 0.470 108 D N 0.525 120.916 120.400 -0.015 0.000 2.323 108 D HA 0.507 5.146 4.640 -0.001 0.000 0.209 108 D C 1.257 177.542 176.300 -0.024 0.000 0.973 108 D CA 0.741 54.731 54.000 -0.016 0.000 0.874 108 D CB -0.122 40.676 40.800 -0.003 0.000 0.930 108 D HN 1.076 nan 8.370 nan 0.000 0.521 109 A N -0.015 122.786 122.820 -0.032 0.000 2.440 109 A HA 0.472 4.792 4.320 -0.001 0.000 0.251 109 A C 0.684 178.261 177.584 -0.012 0.000 1.089 109 A CA 0.720 52.741 52.037 -0.027 0.000 0.779 109 A CB 0.316 19.293 19.000 -0.039 0.000 1.022 109 A HN 0.242 nan 8.150 nan 0.000 0.492 110 D N -0.031 120.362 120.400 -0.011 0.000 3.062 110 D HA -0.122 4.517 4.640 -0.001 0.000 0.216 110 D C 0.955 177.220 176.300 -0.060 0.000 1.097 110 D CA 1.262 55.262 54.000 -0.001 0.000 0.858 110 D CB -1.012 39.831 40.800 0.072 0.000 1.092 110 D HN 0.703 nan 8.370 nan 0.000 0.438 111 K N 0.221 120.584 120.400 -0.062 0.000 2.009 111 K HA -0.162 4.158 4.320 -0.001 0.000 0.210 111 K C 2.009 178.551 176.600 -0.097 0.000 1.049 111 K CA 1.548 57.785 56.287 -0.084 0.000 0.929 111 K CB -0.281 32.185 32.500 -0.056 0.000 0.714 111 K HN 0.289 nan 8.250 nan 0.000 0.440 112 A N 1.249 124.029 122.820 -0.067 0.000 1.849 112 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 112 A C 2.380 179.912 177.584 -0.086 0.000 1.202 112 A CA 2.691 54.691 52.037 -0.061 0.000 0.629 112 A CB -1.177 17.801 19.000 -0.036 0.000 0.834 112 A HN 0.495 nan 8.150 nan 0.000 0.447 113 A N -0.942 121.830 122.820 -0.080 0.000 1.986 113 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 113 A C 2.094 179.517 177.584 -0.268 0.000 1.171 113 A CA 2.027 54.010 52.037 -0.089 0.000 0.640 113 A CB -0.669 18.342 19.000 0.019 0.000 0.811 113 A HN 0.735 nan 8.150 nan 0.000 0.451 114 Q N -0.657 118.868 119.800 -0.458 0.000 2.119 114 Q HA -0.146 4.194 4.340 -0.001 0.000 0.201 114 Q C 1.449 177.258 176.000 -0.318 0.000 0.972 114 Q CA 1.302 56.702 55.803 -0.673 0.000 0.847 114 Q CB -0.205 28.168 28.738 -0.609 0.000 0.903 114 Q HN 0.579 nan 8.270 nan 0.000 0.433 115 D N 0.758 121.040 120.400 -0.197 0.000 2.144 115 D HA -0.150 4.490 4.640 -0.001 0.000 0.199 115 D C 2.182 178.432 176.300 -0.083 0.000 0.984 115 D CA 1.957 55.889 54.000 -0.115 0.000 0.834 115 D CB -0.216 40.533 40.800 -0.084 0.000 0.955 115 D HN 0.321 nan 8.370 nan 0.000 0.465 116 K N 1.040 121.394 120.400 -0.076 0.000 2.063 116 K HA 0.029 4.348 4.320 -0.001 0.000 0.208 116 K C 2.164 178.749 176.600 -0.025 0.000 1.048 116 K CA 1.701 57.965 56.287 -0.038 0.000 0.928 116 K CB -1.074 31.413 32.500 -0.022 0.000 0.713 116 K HN 0.245 nan 8.250 nan 0.000 0.442 117 A N 0.524 123.321 122.820 -0.038 0.000 2.066 117 A HA 0.167 4.487 4.320 -0.001 0.000 0.218 117 A C 2.286 179.869 177.584 -0.001 0.000 1.157 117 A CA 1.217 53.256 52.037 0.003 0.000 0.670 117 A CB -0.302 18.723 19.000 0.040 0.000 0.804 117 A HN 0.512 nan 8.150 nan 0.000 0.453 118 I N -0.733 119.815 120.570 -0.037 0.000 2.617 118 I HA -0.128 4.042 4.170 -0.001 0.000 0.256 118 I C 2.792 178.905 176.117 -0.006 0.000 1.167 118 I CA 0.821 62.109 61.300 -0.021 0.000 1.469 118 I CB -0.321 37.655 38.000 -0.040 0.000 1.098 118 I HN 0.325 nan 8.210 nan 0.000 0.436 119 A N 1.204 124.017 122.820 -0.012 0.000 1.897 119 A HA 0.061 4.380 4.320 -0.001 0.000 0.215 119 A C 2.206 179.795 177.584 0.007 0.000 1.181 119 A CA 1.202 53.236 52.037 -0.004 0.000 0.620 119 A CB -0.623 18.370 19.000 -0.011 0.000 0.821 119 A HN 0.358 nan 8.150 nan 0.000 0.443 120 A N -0.305 122.523 122.820 0.012 0.000 2.150 120 A HA 0.453 4.773 4.320 -0.001 0.000 0.220 120 A C 1.217 178.822 177.584 0.033 0.000 1.356 120 A CA 0.993 53.044 52.037 0.024 0.000 1.145 120 A CB -1.839 17.180 19.000 0.032 0.000 0.826 120 A HN 2.144 nan 8.150 nan 0.000 0.524 121 G N -2.106 106.712 108.800 0.030 0.000 2.746 121 G HA2 0.008 3.967 3.960 -0.001 0.000 0.685 121 G HA3 0.008 3.967 3.960 -0.001 0.000 0.685 121 G C -0.583 174.346 174.900 0.048 0.000 1.350 121 G CA -0.468 44.653 45.100 0.035 0.000 0.837 121 G HN 0.876 nan 8.290 nan 0.000 0.564 122 V N 1.606 121.550 119.914 0.049 0.000 2.333 122 V HA 0.632 4.752 4.120 -0.001 0.000 0.274 122 V C 1.519 177.657 176.094 0.074 0.000 1.028 122 V CA 1.090 63.427 62.300 0.062 0.000 0.851 122 V CB 0.461 32.314 31.823 0.049 0.000 1.000 122 V HN 1.546 nan 8.190 nan 0.000 0.456 123 K N 4.102 124.566 120.400 0.107 0.000 2.314 123 K HA 0.182 4.502 4.320 -0.001 0.000 0.198 123 K C 0.627 177.281 176.600 0.089 0.000 1.045 123 K CA 1.293 57.638 56.287 0.098 0.000 0.988 123 K CB 0.176 32.749 32.500 0.122 0.000 0.783 123 K HN 0.897 nan 8.250 nan 0.000 0.484 124 E N -1.108 119.157 120.200 0.108 0.000 2.396 124 E HA 0.296 4.646 4.350 -0.001 0.000 0.280 124 E C -1.036 175.615 176.600 0.084 0.000 1.065 124 E CA -0.282 56.169 56.400 0.085 0.000 0.831 124 E CB 1.205 30.954 29.700 0.082 0.000 1.272 124 E HN 0.129 nan 8.360 nan 0.000 0.443 125 T N -0.685 113.907 114.554 0.064 0.000 2.940 125 T HA 0.818 5.168 4.350 -0.001 0.000 0.288 125 T C -0.169 174.565 174.700 0.058 0.000 1.045 125 T CA -0.451 61.686 62.100 0.060 0.000 1.018 125 T CB 1.916 70.812 68.868 0.046 0.000 1.151 125 T HN 0.621 nan 8.240 nan 0.000 0.529 126 T N -1.167 113.421 114.554 0.057 0.000 2.722 126 T HA 0.302 4.652 4.350 -0.001 0.000 0.314 126 T C -0.594 174.137 174.700 0.052 0.000 1.675 126 T CA -0.493 61.638 62.100 0.051 0.000 1.003 126 T CB 1.461 70.363 68.868 0.056 0.000 1.602 126 T HN 0.559 nan 8.240 nan 0.000 0.496 127 D N 0.533 120.961 120.400 0.046 0.000 2.096 127 D HA 0.113 4.752 4.640 -0.001 0.000 0.207 127 D C 0.721 177.061 176.300 0.067 0.000 0.976 127 D CA 1.367 55.398 54.000 0.052 0.000 0.875 127 D CB -0.159 40.664 40.800 0.038 0.000 1.009 127 D HN 0.336 nan 8.370 nan 0.000 0.449 128 V N 1.621 121.567 119.914 0.053 0.000 2.398 128 V HA 0.272 4.391 4.120 -0.001 0.000 0.286 128 V C 0.157 176.282 176.094 0.051 0.000 1.026 128 V CA -0.671 61.659 62.300 0.051 0.000 0.868 128 V CB 2.120 33.959 31.823 0.026 0.000 0.982 128 V HN -0.131 nan 8.190 nan 0.000 0.443 129 V N 6.663 126.612 119.914 0.058 0.000 2.407 129 V HA 0.467 4.586 4.120 -0.001 0.000 0.278 129 V C -0.076 176.053 176.094 0.058 0.000 1.037 129 V CA -0.198 62.137 62.300 0.058 0.000 0.900 129 V CB 1.448 33.306 31.823 0.058 0.000 0.983 129 V HN 0.656 nan 8.190 nan 0.000 0.459 130 I N 6.055 126.661 120.570 0.059 0.000 2.436 130 I HA 0.473 4.643 4.170 -0.001 0.000 0.289 130 I C -0.444 175.716 176.117 0.072 0.000 1.010 130 I CA -0.433 60.906 61.300 0.065 0.000 1.098 130 I CB 1.936 39.974 38.000 0.064 0.000 1.266 130 I HN 0.395 nan 8.210 nan 0.000 0.434 131 I N 5.533 126.149 120.570 0.076 0.000 2.315 131 I HA 0.571 4.741 4.170 -0.001 0.000 0.291 131 I C 0.602 176.774 176.117 0.092 0.000 1.006 131 I CA -0.278 61.069 61.300 0.079 0.000 1.265 131 I CB 1.123 39.166 38.000 0.072 0.000 1.387 131 I HN 0.827 nan 8.210 nan 0.000 0.475 132 G N 4.106 112.968 108.800 0.102 0.000 2.895 132 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.686 132 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.686 132 G C -0.003 174.970 174.900 0.122 0.000 1.108 132 G CA -0.199 44.969 45.100 0.114 0.000 0.761 132 G HN 0.849 nan 8.290 nan 0.000 0.611 133 S N 1.435 117.214 115.700 0.131 0.000 2.552 133 S HA 0.599 5.068 4.470 -0.001 0.000 0.246 133 S C 1.284 175.963 174.600 0.133 0.000 1.019 133 S CA 0.743 59.040 58.200 0.162 0.000 1.045 133 S CB 0.346 63.679 63.200 0.222 0.000 0.784 133 S HN 1.941 nan 8.310 nan 0.000 0.453 134 G N 0.798 109.656 108.800 0.097 0.000 2.508 134 G HA2 0.492 4.452 3.960 -0.001 0.000 0.278 134 G HA3 0.492 4.452 3.960 -0.001 0.000 0.278 134 G C 0.998 175.961 174.900 0.104 0.000 1.389 134 G CA -0.343 44.801 45.100 0.074 0.000 1.050 134 G HN 0.406 nan 8.290 nan 0.000 0.522 135 G N 0.023 108.882 108.800 0.099 0.000 2.511 135 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.216 135 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.216 135 G C 2.097 177.080 174.900 0.137 0.000 1.218 135 G CA 2.333 47.503 45.100 0.118 0.000 0.788 135 G HN 1.075 nan 8.290 nan 0.000 0.560 136 A N 0.844 123.745 122.820 0.135 0.000 1.894 136 A HA -0.093 4.227 4.320 -0.001 0.000 0.220 136 A C 2.772 180.434 177.584 0.131 0.000 1.237 136 A CA 2.996 55.116 52.037 0.139 0.000 0.660 136 A CB -1.466 17.612 19.000 0.129 0.000 0.835 136 A HN 0.866 nan 8.150 nan 0.000 0.461 137 G N -0.764 108.108 108.800 0.120 0.000 2.421 137 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 137 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 137 G C 1.572 176.542 174.900 0.117 0.000 1.171 137 G CA 1.112 46.280 45.100 0.112 0.000 0.775 137 G HN 0.476 nan 8.290 nan 0.000 0.543 138 L N 0.666 121.968 121.223 0.131 0.000 2.093 138 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 138 L C 3.374 180.327 176.870 0.138 0.000 1.085 138 L CA 0.850 55.763 54.840 0.122 0.000 0.755 138 L CB -0.447 41.699 42.059 0.144 0.000 0.904 138 L HN 0.280 nan 8.230 nan 0.000 0.435 139 A N 0.308 123.241 122.820 0.188 0.000 1.940 139 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 139 A C 2.482 180.271 177.584 0.342 0.000 1.176 139 A CA 1.808 54.050 52.037 0.341 0.000 0.631 139 A CB -0.573 18.649 19.000 0.369 0.000 0.814 139 A HN 0.402 nan 8.150 nan 0.000 0.446 140 A N -0.724 122.208 122.820 0.186 0.000 2.016 140 A HA 0.393 4.712 4.320 -0.001 0.000 0.217 140 A C 2.346 179.988 177.584 0.096 0.000 1.162 140 A CA 1.425 53.531 52.037 0.113 0.000 0.662 140 A CB -0.623 18.427 19.000 0.083 0.000 0.812 140 A HN 0.875 nan 8.150 nan 0.000 0.450 141 A N -0.217 122.660 122.820 0.095 0.000 1.897 141 A HA 0.151 4.471 4.320 -0.001 0.000 0.215 141 A C 2.080 179.700 177.584 0.061 0.000 1.181 141 A CA 1.444 53.513 52.037 0.052 0.000 0.620 141 A CB -0.851 18.160 19.000 0.018 0.000 0.821 141 A HN 0.275 nan 8.150 nan 0.000 0.443 142 V N -0.254 119.719 119.914 0.099 0.000 2.259 142 V HA -0.276 3.843 4.120 -0.001 0.000 0.229 142 V C 2.591 178.791 176.094 0.176 0.000 1.012 142 V CA 2.239 64.614 62.300 0.125 0.000 0.995 142 V CB -1.366 30.544 31.823 0.146 0.000 0.645 142 V HN 0.681 nan 8.190 nan 0.000 0.468 143 S N 0.264 116.142 115.700 0.297 0.000 2.457 143 S HA -0.406 4.063 4.470 -0.001 0.000 0.269 143 S C 1.945 176.580 174.600 0.058 0.000 1.139 143 S CA 3.111 61.401 58.200 0.150 0.000 1.176 143 S CB -0.786 62.441 63.200 0.045 0.000 1.088 143 S HN 0.840 nan 8.310 nan 0.000 0.443 144 A N 1.979 124.821 122.820 0.037 0.000 1.858 144 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 144 A C 2.303 179.899 177.584 0.019 0.000 1.190 144 A CA 1.579 53.622 52.037 0.010 0.000 0.617 144 A CB -0.763 18.240 19.000 0.005 0.000 0.827 144 A HN 0.617 nan 8.150 nan 0.000 0.443 145 R N 0.379 120.896 120.500 0.028 0.000 2.094 145 R HA -0.119 4.220 4.340 -0.001 0.000 0.239 145 R C -0.357 175.958 176.300 0.025 0.000 1.137 145 R CA 1.315 57.427 56.100 0.019 0.000 0.943 145 R CB -0.997 29.308 30.300 0.009 0.000 0.850 145 R HN 0.437 nan 8.270 nan 0.000 0.433 146 D N -0.105 120.323 120.400 0.047 0.000 2.398 146 D HA 0.212 4.852 4.640 -0.001 0.000 0.250 146 D C 0.441 176.759 176.300 0.030 0.000 1.287 146 D CA 0.569 54.599 54.000 0.049 0.000 0.992 146 D CB 0.848 41.702 40.800 0.091 0.000 1.071 146 D HN 0.326 nan 8.370 nan 0.000 0.514 147 A N 1.034 123.863 122.820 0.015 0.000 2.419 147 A HA 0.351 4.671 4.320 -0.001 0.000 0.220 147 A C 1.448 179.033 177.584 0.002 0.000 2.887 147 A CA 0.451 52.490 52.037 0.003 0.000 1.561 147 A CB -0.700 18.295 19.000 -0.008 0.000 0.167 147 A HN 0.850 nan 8.150 nan 0.000 0.543 148 G N -0.950 107.853 108.800 0.005 0.000 2.179 148 G HA2 0.296 4.256 3.960 -0.001 0.000 0.220 148 G HA3 0.296 4.256 3.960 -0.001 0.000 0.220 148 G C 0.727 175.630 174.900 0.005 0.000 0.990 148 G CA 0.946 46.048 45.100 0.004 0.000 0.646 148 G HN 2.176 nan 8.290 nan 0.000 0.517 149 A N 0.069 122.892 122.820 0.006 0.000 2.351 149 A HA 0.669 4.989 4.320 -0.001 0.000 0.257 149 A C 0.477 178.068 177.584 0.011 0.000 1.087 149 A CA 0.052 52.095 52.037 0.010 0.000 0.798 149 A CB 0.514 19.522 19.000 0.013 0.000 1.033 149 A HN 0.146 nan 8.150 nan 0.000 0.488 150 K N 0.728 121.137 120.400 0.015 0.000 2.276 150 K HA 0.499 4.819 4.320 -0.001 0.000 0.283 150 K C -0.661 175.952 176.600 0.021 0.000 1.044 150 K CA -0.200 56.096 56.287 0.015 0.000 0.944 150 K CB 1.095 33.606 32.500 0.019 0.000 1.012 150 K HN 0.356 nan 8.250 nan 0.000 0.472 151 V N 4.605 124.529 119.914 0.018 0.000 2.680 151 V HA 0.529 4.648 4.120 -0.001 0.000 0.309 151 V C 0.062 176.173 176.094 0.027 0.000 1.052 151 V CA -0.896 61.418 62.300 0.023 0.000 0.908 151 V CB 1.905 33.736 31.823 0.014 0.000 1.001 151 V HN 0.559 nan 8.190 nan 0.000 0.431 152 I N 4.697 125.292 120.570 0.041 0.000 2.436 152 I HA 0.527 4.697 4.170 -0.001 0.000 0.289 152 I C -0.860 175.291 176.117 0.057 0.000 1.010 152 I CA -0.525 60.807 61.300 0.052 0.000 1.098 152 I CB 2.013 40.058 38.000 0.074 0.000 1.266 152 I HN 0.463 nan 8.210 nan 0.000 0.434 153 L N 7.581 128.838 121.223 0.058 0.000 2.333 153 L HA 0.652 4.992 4.340 -0.001 0.000 0.280 153 L C -1.563 175.361 176.870 0.090 0.000 1.004 153 L CA -0.459 54.422 54.840 0.069 0.000 0.820 153 L CB 1.384 43.478 42.059 0.058 0.000 1.247 153 L HN 0.517 nan 8.230 nan 0.000 0.416 154 L N 4.168 125.446 121.223 0.092 0.000 2.329 154 L HA 0.639 4.979 4.340 -0.001 0.000 0.279 154 L C -0.710 176.226 176.870 0.110 0.000 1.014 154 L CA -0.503 54.397 54.840 0.100 0.000 0.814 154 L CB 1.812 43.916 42.059 0.075 0.000 1.257 154 L HN 0.554 nan 8.230 nan 0.000 0.424 155 E N 2.488 122.762 120.200 0.124 0.000 2.256 155 E HA 0.227 4.577 4.350 -0.001 0.000 0.268 155 E C -0.157 176.516 176.600 0.122 0.000 0.877 155 E CA -0.712 55.767 56.400 0.132 0.000 0.757 155 E CB 1.606 31.396 29.700 0.151 0.000 1.183 155 E HN 0.477 nan 8.360 nan 0.000 0.418 156 K N 3.661 124.136 120.400 0.125 0.000 2.356 156 K HA 0.161 4.481 4.320 -0.001 0.000 0.195 156 K C -0.251 176.425 176.600 0.127 0.000 1.037 156 K CA 0.289 56.640 56.287 0.107 0.000 1.014 156 K CB 0.353 32.911 32.500 0.098 0.000 0.815 156 K HN 0.453 nan 8.250 nan 0.000 0.507 157 E N 1.321 121.619 120.200 0.162 0.000 2.280 157 E HA 0.151 4.501 4.350 -0.001 0.000 0.261 157 E C -2.060 174.614 176.600 0.123 0.000 1.088 157 E CA -2.159 54.357 56.400 0.192 0.000 0.915 157 E CB 1.168 31.020 29.700 0.253 0.000 1.141 157 E HN -0.064 nan 8.360 nan 0.000 0.433 158 P HA 0.073 nan 4.420 nan 0.000 0.231 158 P C 0.072 177.336 177.300 -0.061 0.000 1.168 158 P CA 0.765 63.895 63.100 0.050 0.000 0.779 158 P CB 0.091 31.834 31.700 0.072 0.000 0.844 159 I N -5.651 114.816 120.570 -0.172 0.000 2.785 159 I HA 0.679 4.848 4.170 -0.001 0.000 0.302 159 I C -3.030 172.988 176.117 -0.165 0.000 1.069 159 I CA -3.315 57.844 61.300 -0.236 0.000 1.045 159 I CB 2.098 39.850 38.000 -0.414 0.000 1.236 159 I HN -0.395 nan 8.210 nan 0.000 0.429 160 P HA 0.375 nan 4.420 nan 0.000 0.306 160 P C 0.618 177.818 177.300 -0.166 0.000 1.309 160 P CA 0.072 63.060 63.100 -0.187 0.000 0.759 160 P CB 0.765 32.163 31.700 -0.503 0.000 1.314 161 G N -1.927 106.826 108.800 -0.079 0.000 2.175 161 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.265 161 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.265 161 G C 0.832 175.659 174.900 -0.122 0.000 0.979 161 G CA 0.890 45.952 45.100 -0.063 0.000 0.663 161 G HN 0.899 nan 8.290 nan 0.000 0.533 162 G N 0.520 109.179 108.800 -0.236 0.000 2.616 162 G HA2 -0.444 3.516 3.960 -0.001 0.000 0.361 162 G HA3 -0.444 3.516 3.960 -0.001 0.000 0.361 162 G C 1.093 175.659 174.900 -0.556 0.000 1.361 162 G CA 1.055 45.804 45.100 -0.585 0.000 0.969 162 G HN 0.821 nan 8.290 nan 0.000 0.528 163 N N 0.105 118.656 118.700 -0.247 0.000 2.244 163 N HA -0.065 4.674 4.740 -0.001 0.000 0.183 163 N C 2.529 178.037 175.510 -0.004 0.000 1.016 163 N CA 1.744 54.786 53.050 -0.014 0.000 0.866 163 N CB -0.760 37.778 38.487 0.085 0.000 0.980 163 N HN 0.618 nan 8.380 nan 0.000 0.430 164 T N 1.991 116.543 114.554 -0.002 0.000 2.653 164 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 164 T C 1.698 176.412 174.700 0.023 0.000 1.035 164 T CA 1.818 63.933 62.100 0.026 0.000 1.154 164 T CB -0.292 68.598 68.868 0.037 0.000 0.862 164 T HN 0.569 nan 8.240 nan 0.000 0.441 165 K N 1.500 121.902 120.400 0.004 0.000 2.520 165 K HA -0.006 4.314 4.320 -0.001 0.000 0.197 165 K C 1.643 178.258 176.600 0.025 0.000 1.043 165 K CA 1.117 57.414 56.287 0.016 0.000 0.944 165 K CB -0.368 32.137 32.500 0.009 0.000 0.770 165 K HN 0.363 nan 8.250 nan 0.000 0.480 166 L N 0.371 121.607 121.223 0.023 0.000 2.701 166 L HA 0.286 4.626 4.340 -0.001 0.000 0.238 166 L C 1.037 177.918 176.870 0.019 0.000 1.106 166 L CA -0.421 54.425 54.840 0.010 0.000 0.898 166 L CB 0.065 42.149 42.059 0.042 0.000 1.188 166 L HN 0.168 nan 8.230 nan 0.000 0.508 167 A N 0.416 123.261 122.820 0.041 0.000 2.521 167 A HA 0.353 4.672 4.320 -0.001 0.000 0.237 167 A C 0.948 178.564 177.584 0.052 0.000 1.087 167 A CA 1.159 53.235 52.037 0.065 0.000 0.777 167 A CB 0.357 19.397 19.000 0.066 0.000 1.035 167 A HN 0.370 nan 8.150 nan 0.000 0.510 168 A N -0.002 122.857 122.820 0.066 0.000 1.621 168 A HA 0.474 4.794 4.320 -0.001 0.000 0.212 168 A C 2.060 179.673 177.584 0.048 0.000 1.760 168 A CA 1.185 53.248 52.037 0.043 0.000 1.251 168 A CB -0.906 18.124 19.000 0.050 0.000 1.168 168 A HN 1.728 nan 8.150 nan 0.000 0.463 169 G N -0.060 108.780 108.800 0.066 0.000 2.503 169 G HA2 0.336 4.296 3.960 -0.001 0.000 0.221 169 G HA3 0.336 4.296 3.960 -0.001 0.000 0.221 169 G C 1.074 176.005 174.900 0.051 0.000 1.131 169 G CA 1.445 46.578 45.100 0.055 0.000 0.756 169 G HN 2.013 nan 8.290 nan 0.000 0.572 170 G N -1.778 107.062 108.800 0.066 0.000 2.339 170 G HA2 0.341 4.301 3.960 -0.001 0.000 0.381 170 G HA3 0.341 4.301 3.960 -0.001 0.000 0.381 170 G C -0.852 174.103 174.900 0.091 0.000 1.400 170 G CA -0.176 44.973 45.100 0.082 0.000 1.002 170 G HN 0.785 nan 8.290 nan 0.000 0.633 171 M N 0.957 120.629 119.600 0.121 0.000 2.181 171 M HA 0.521 5.001 4.480 -0.001 0.000 0.323 171 M C -0.437 175.925 176.300 0.103 0.000 1.004 171 M CA -0.719 54.642 55.300 0.101 0.000 0.941 171 M CB 0.801 33.455 32.600 0.091 0.000 1.579 171 M HN 0.575 nan 8.290 nan 0.000 0.427 172 N N 3.234 121.978 118.700 0.074 0.000 2.530 172 N HA 0.649 5.389 4.740 -0.001 0.000 0.273 172 N C -1.173 174.324 175.510 -0.021 0.000 1.173 172 N CA -0.281 52.807 53.050 0.063 0.000 0.967 172 N CB 1.214 39.737 38.487 0.060 0.000 1.109 172 N HN 0.745 nan 8.380 nan 0.000 0.453 173 A N 0.738 123.511 122.820 -0.078 0.000 2.555 173 A HA 0.680 4.999 4.320 -0.001 0.000 0.297 173 A C -1.401 176.144 177.584 -0.064 0.000 1.060 173 A CA -0.694 51.262 52.037 -0.134 0.000 0.710 173 A CB 1.076 19.918 19.000 -0.264 0.000 1.282 173 A HN 0.661 nan 8.150 nan 0.000 0.399 174 A N 1.313 124.118 122.820 -0.024 0.000 2.305 174 A HA 0.770 5.089 4.320 -0.001 0.000 0.322 174 A C 0.343 177.933 177.584 0.010 0.000 1.187 174 A CA 0.063 52.108 52.037 0.013 0.000 0.825 174 A CB 0.032 19.041 19.000 0.014 0.000 1.164 174 A HN 1.323 nan 8.150 nan 0.000 0.498 175 E N 0.127 120.346 120.200 0.033 0.000 2.305 175 E HA -0.141 4.209 4.350 -0.001 0.000 0.242 175 E C 0.046 176.667 176.600 0.034 0.000 1.143 175 E CA 0.837 57.256 56.400 0.032 0.000 0.716 175 E CB -1.675 28.036 29.700 0.018 0.000 1.255 175 E HN 1.035 nan 8.360 nan 0.000 0.391 176 T N -3.433 111.158 114.554 0.061 0.000 2.936 176 T HA 0.418 4.768 4.350 -0.001 0.000 0.282 176 T C 1.212 175.966 174.700 0.091 0.000 1.003 176 T CA -0.818 61.326 62.100 0.074 0.000 1.005 176 T CB 1.847 70.783 68.868 0.113 0.000 1.097 176 T HN 0.026 nan 8.240 nan 0.000 0.532 177 K N 0.606 121.056 120.400 0.083 0.000 2.002 177 K HA -0.029 4.291 4.320 -0.001 0.000 0.209 177 K C -0.816 175.832 176.600 0.080 0.000 1.048 177 K CA 1.280 57.610 56.287 0.071 0.000 0.930 177 K CB -1.519 31.018 32.500 0.062 0.000 0.714 177 K HN 0.432 nan 8.250 nan 0.000 0.438 178 P HA -0.195 nan 4.420 nan 0.000 0.216 178 P C 1.216 178.544 177.300 0.046 0.000 1.154 178 P CA 1.558 64.705 63.100 0.080 0.000 0.865 178 P CB -0.050 31.724 31.700 0.123 0.000 0.789 179 Q N -1.181 118.674 119.800 0.091 0.000 2.224 179 Q HA -0.074 4.265 4.340 -0.001 0.000 0.203 179 Q C 2.178 178.202 176.000 0.040 0.000 0.970 179 Q CA 1.353 57.191 55.803 0.058 0.000 0.865 179 Q CB -0.559 28.235 28.738 0.094 0.000 0.922 179 Q HN 0.207 nan 8.270 nan 0.000 0.445 180 A N 1.277 124.125 122.820 0.046 0.000 1.855 180 A HA -0.185 4.135 4.320 -0.001 0.000 0.215 180 A C 1.924 179.522 177.584 0.023 0.000 1.191 180 A CA 1.296 53.352 52.037 0.033 0.000 0.613 180 A CB -0.241 18.780 19.000 0.035 0.000 0.829 180 A HN 0.026 nan 8.150 nan 0.000 0.442 181 K N 0.018 120.432 120.400 0.024 0.000 2.113 181 K HA -0.066 4.254 4.320 -0.001 0.000 0.208 181 K C 1.478 178.082 176.600 0.007 0.000 1.047 181 K CA 1.292 57.587 56.287 0.015 0.000 0.928 181 K CB -0.599 31.910 32.500 0.015 0.000 0.716 181 K HN 0.544 nan 8.250 nan 0.000 0.446 182 L N -0.967 120.258 121.223 0.003 0.000 2.592 182 L HA 0.190 4.529 4.340 -0.001 0.000 0.227 182 L C 0.781 177.653 176.870 0.003 0.000 1.127 182 L CA 0.221 55.059 54.840 -0.003 0.000 0.884 182 L CB -0.208 41.841 42.059 -0.017 0.000 1.065 182 L HN 0.345 nan 8.230 nan 0.000 0.457 183 G N 1.660 110.466 108.800 0.009 0.000 2.295 183 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.287 183 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.287 183 G C 0.026 174.934 174.900 0.013 0.000 1.055 183 G CA -0.063 45.044 45.100 0.012 0.000 0.922 183 G HN 0.331 nan 8.290 nan 0.000 0.503 184 I N 0.742 121.323 120.570 0.017 0.000 2.315 184 I HA 0.556 4.726 4.170 -0.001 0.000 0.291 184 I C 0.758 176.890 176.117 0.026 0.000 1.006 184 I CA 0.047 61.359 61.300 0.020 0.000 1.265 184 I CB 1.186 39.199 38.000 0.022 0.000 1.387 184 I HN 0.366 nan 8.210 nan 0.000 0.475 185 E N 5.178 125.392 120.200 0.022 0.000 2.130 185 E HA 0.365 4.715 4.350 -0.001 0.000 0.284 185 E C -1.043 175.572 176.600 0.025 0.000 1.018 185 E CA -0.620 55.793 56.400 0.022 0.000 0.817 185 E CB 1.540 31.251 29.700 0.017 0.000 1.078 185 E HN 0.629 nan 8.360 nan 0.000 0.396 186 D N 0.990 121.408 120.400 0.029 0.000 2.566 186 D HA 0.590 5.229 4.640 -0.001 0.000 0.254 186 D C -1.002 175.313 176.300 0.025 0.000 1.090 186 D CA -0.553 53.465 54.000 0.031 0.000 1.034 186 D CB 1.344 42.169 40.800 0.043 0.000 1.434 186 D HN 0.179 nan 8.370 nan 0.000 0.509 187 K N 0.888 121.301 120.400 0.022 0.000 2.525 187 K HA 0.249 4.569 4.320 -0.001 0.000 0.254 187 K C 0.321 176.931 176.600 0.015 0.000 0.934 187 K CA -0.504 55.793 56.287 0.017 0.000 0.802 187 K CB 2.034 34.542 32.500 0.014 0.000 1.295 187 K HN 0.344 nan 8.250 nan 0.000 0.433 188 K N 0.740 121.146 120.400 0.011 0.000 2.152 188 K HA -0.240 4.079 4.320 -0.001 0.000 0.206 188 K C 1.714 178.319 176.600 0.009 0.000 1.048 188 K CA 1.442 57.734 56.287 0.009 0.000 0.933 188 K CB 0.177 32.679 32.500 0.003 0.000 0.721 188 K HN 0.329 nan 8.250 nan 0.000 0.447 189 Q N 1.221 121.026 119.800 0.008 0.000 2.079 189 Q HA -0.018 4.321 4.340 -0.001 0.000 0.200 189 Q C 1.817 177.822 176.000 0.009 0.000 0.974 189 Q CA 1.377 57.184 55.803 0.007 0.000 0.840 189 Q CB -0.056 28.686 28.738 0.006 0.000 0.898 189 Q HN 0.338 nan 8.270 nan 0.000 0.430 190 I N -0.178 120.398 120.570 0.011 0.000 2.264 190 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 190 I C 2.453 178.578 176.117 0.014 0.000 1.111 190 I CA 1.260 62.567 61.300 0.012 0.000 1.382 190 I CB -0.408 37.601 38.000 0.015 0.000 1.060 190 I HN 0.360 nan 8.210 nan 0.000 0.418 191 M N 0.798 120.408 119.600 0.017 0.000 2.159 191 M HA -0.200 4.280 4.480 -0.001 0.000 0.263 191 M C 2.331 178.642 176.300 0.018 0.000 1.063 191 M CA 1.857 57.170 55.300 0.020 0.000 1.110 191 M CB 0.009 32.623 32.600 0.022 0.000 1.374 191 M HN 0.163 nan 8.290 nan 0.000 0.411 192 I N 0.094 120.672 120.570 0.013 0.000 2.142 192 I HA -0.321 3.849 4.170 -0.001 0.000 0.240 192 I C 1.807 177.929 176.117 0.007 0.000 1.078 192 I CA 1.425 62.732 61.300 0.010 0.000 1.343 192 I CB -1.001 37.003 38.000 0.007 0.000 1.046 192 I HN 0.264 nan 8.210 nan 0.000 0.405 193 D N 1.146 121.549 120.400 0.006 0.000 2.123 193 D HA -0.182 4.457 4.640 -0.001 0.000 0.196 193 D C 1.772 178.074 176.300 0.004 0.000 0.992 193 D CA 1.327 55.328 54.000 0.003 0.000 0.833 193 D CB -0.419 40.383 40.800 0.004 0.000 0.954 193 D HN 0.292 nan 8.370 nan 0.000 0.455 194 D N -0.085 120.320 120.400 0.007 0.000 2.104 194 D HA -0.107 4.533 4.640 -0.001 0.000 0.194 194 D C 2.049 178.354 176.300 0.007 0.000 0.994 194 D CA 1.306 55.310 54.000 0.007 0.000 0.830 194 D CB -0.679 40.128 40.800 0.012 0.000 0.959 194 D HN 0.168 nan 8.370 nan 0.000 0.452 195 T N 1.196 115.759 114.554 0.014 0.000 2.684 195 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 195 T C 1.977 176.679 174.700 0.004 0.000 1.036 195 T CA 1.089 63.201 62.100 0.019 0.000 1.148 195 T CB -0.091 68.793 68.868 0.028 0.000 0.863 195 T HN 0.093 nan 8.240 nan 0.000 0.436 196 M N 1.280 120.878 119.600 -0.004 0.000 2.132 196 M HA -0.037 4.442 4.480 -0.001 0.000 0.263 196 M C 2.935 179.224 176.300 -0.019 0.000 1.065 196 M CA 1.793 57.084 55.300 -0.014 0.000 1.122 196 M CB -1.326 31.267 32.600 -0.013 0.000 1.365 196 M HN 0.395 nan 8.290 nan 0.000 0.411 197 K N 0.555 120.948 120.400 -0.013 0.000 2.026 197 K HA -0.022 4.298 4.320 -0.001 0.000 0.208 197 K C 2.169 178.755 176.600 -0.023 0.000 1.048 197 K CA 1.783 58.061 56.287 -0.015 0.000 0.929 197 K CB -1.940 30.554 32.500 -0.009 0.000 0.713 197 K HN 0.588 nan 8.250 nan 0.000 0.439 198 G N -0.122 108.666 108.800 -0.020 0.000 2.679 198 G HA2 0.226 4.186 3.960 -0.001 0.000 0.212 198 G HA3 0.226 4.186 3.960 -0.001 0.000 0.212 198 G C 1.226 176.102 174.900 -0.041 0.000 1.137 198 G CA 0.835 45.919 45.100 -0.027 0.000 0.787 198 G HN 0.794 nan 8.290 nan 0.000 0.534 199 G N -0.012 108.759 108.800 -0.047 0.000 3.690 199 G HA2 0.331 4.291 3.960 -0.001 0.000 0.283 199 G HA3 0.331 4.291 3.960 -0.001 0.000 0.283 199 G C 0.614 175.442 174.900 -0.120 0.000 1.057 199 G CA -0.704 44.348 45.100 -0.080 0.000 0.821 199 G HN 0.344 nan 8.290 nan 0.000 0.526 200 R N 0.714 121.161 120.500 -0.089 0.000 3.322 200 R HA -0.217 4.123 4.340 -0.001 0.000 0.253 200 R C 0.292 176.550 176.300 -0.070 0.000 0.987 200 R CA 0.538 56.590 56.100 -0.079 0.000 0.666 200 R CB -2.317 27.924 30.300 -0.099 0.000 1.072 200 R HN 0.473 nan 8.270 nan 0.000 0.447 201 N N -0.790 117.878 118.700 -0.054 0.000 2.690 201 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 201 N C 0.882 176.364 175.510 -0.045 0.000 1.125 201 N CA 1.892 54.918 53.050 -0.041 0.000 0.794 201 N CB -0.935 37.537 38.487 -0.026 0.000 1.152 201 N HN 0.802 nan 8.380 nan 0.000 0.571 202 I N -3.071 117.458 120.570 -0.070 0.000 3.793 202 I HA 0.114 4.284 4.170 -0.001 0.000 0.315 202 I C 0.156 176.239 176.117 -0.057 0.000 1.275 202 I CA -0.304 60.961 61.300 -0.060 0.000 1.214 202 I CB -0.008 37.947 38.000 -0.076 0.000 1.018 202 I HN -0.176 nan 8.210 nan 0.000 0.439 203 N N 2.979 121.642 118.700 -0.061 0.000 2.416 203 N HA -0.022 4.717 4.740 -0.001 0.000 0.246 203 N C -0.190 175.291 175.510 -0.048 0.000 1.260 203 N CA 0.125 53.138 53.050 -0.061 0.000 0.897 203 N CB 0.189 38.640 38.487 -0.060 0.000 1.110 203 N HN 0.226 nan 8.380 nan 0.000 0.439 204 D N 1.754 122.121 120.400 -0.055 0.000 2.339 204 D HA 0.064 4.703 4.640 -0.001 0.000 0.256 204 D C -1.583 174.696 176.300 -0.034 0.000 1.214 204 D CA -1.846 52.130 54.000 -0.041 0.000 0.877 204 D CB 0.881 41.650 40.800 -0.051 0.000 1.111 204 D HN 0.318 nan 8.370 nan 0.000 0.478 205 P HA -0.146 nan 4.420 nan 0.000 0.219 205 P C 0.755 178.054 177.300 -0.002 0.000 1.146 205 P CA 0.800 63.893 63.100 -0.012 0.000 0.808 205 P CB 0.629 32.324 31.700 -0.009 0.000 0.779 206 E N 0.227 120.427 120.200 0.002 0.000 2.072 206 E HA -0.037 4.313 4.350 -0.001 0.000 0.190 206 E C 2.306 178.930 176.600 0.040 0.000 0.982 206 E CA 0.783 57.193 56.400 0.017 0.000 0.803 206 E CB -0.958 28.752 29.700 0.016 0.000 0.755 206 E HN 0.353 nan 8.360 nan 0.000 0.453 207 L N 0.326 121.563 121.223 0.024 0.000 2.156 207 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 207 L C 2.319 179.227 176.870 0.063 0.000 1.095 207 L CA 0.472 55.344 54.840 0.054 0.000 0.770 207 L CB -0.314 41.688 42.059 -0.096 0.000 0.914 207 L HN -0.032 nan 8.230 nan 0.000 0.439 208 V N -0.326 119.592 119.914 0.008 0.000 2.548 208 V HA -0.198 3.921 4.120 -0.001 0.000 0.249 208 V C 2.367 178.480 176.094 0.032 0.000 1.055 208 V CA 1.401 63.706 62.300 0.009 0.000 1.065 208 V CB -0.503 31.312 31.823 -0.014 0.000 0.681 208 V HN 0.377 nan 8.190 nan 0.000 0.462 209 K N 0.221 120.638 120.400 0.030 0.000 1.985 209 K HA -0.115 4.204 4.320 -0.001 0.000 0.210 209 K C 2.102 178.717 176.600 0.025 0.000 1.047 209 K CA 1.483 57.783 56.287 0.022 0.000 0.932 209 K CB -0.606 31.903 32.500 0.015 0.000 0.716 209 K HN 0.258 nan 8.250 nan 0.000 0.439 210 V N 2.032 121.972 119.914 0.043 0.000 2.287 210 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 210 V C 2.195 178.284 176.094 -0.008 0.000 1.053 210 V CA 1.570 63.873 62.300 0.004 0.000 1.027 210 V CB -0.487 31.336 31.823 0.000 0.000 0.646 210 V HN 0.386 nan 8.190 nan 0.000 0.447 211 L N 0.076 121.360 121.223 0.103 0.000 2.042 211 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 211 L C 2.468 179.366 176.870 0.047 0.000 1.076 211 L CA 2.617 57.532 54.840 0.126 0.000 0.749 211 L CB -0.857 41.310 42.059 0.181 0.000 0.893 211 L HN 0.389 nan 8.230 nan 0.000 0.432 212 A N -0.057 122.783 122.820 0.034 0.000 1.854 212 A HA -0.200 4.119 4.320 -0.001 0.000 0.214 212 A C 1.893 179.474 177.584 -0.004 0.000 1.192 212 A CA 1.478 53.524 52.037 0.015 0.000 0.611 212 A CB -0.666 18.344 19.000 0.016 0.000 0.832 212 A HN 0.496 nan 8.150 nan 0.000 0.442 213 N N 0.666 119.359 118.700 -0.012 0.000 2.205 213 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 213 N C 0.684 176.169 175.510 -0.042 0.000 1.015 213 N CA 1.369 54.405 53.050 -0.024 0.000 0.862 213 N CB -0.422 38.049 38.487 -0.026 0.000 0.986 213 N HN 0.443 nan 8.380 nan 0.000 0.429 214 N N -0.692 117.971 118.700 -0.063 0.000 2.270 214 N HA 0.042 4.781 4.740 -0.001 0.000 0.198 214 N C 1.291 176.758 175.510 -0.071 0.000 1.117 214 N CA 0.037 53.033 53.050 -0.089 0.000 0.845 214 N CB 0.126 38.520 38.487 -0.155 0.000 0.980 214 N HN 0.205 nan 8.380 nan 0.000 0.486 215 S N -1.135 114.536 115.700 -0.048 0.000 2.368 215 S HA -0.108 4.361 4.470 -0.001 0.000 0.224 215 S C 2.036 176.604 174.600 -0.053 0.000 1.029 215 S CA 1.322 59.496 58.200 -0.043 0.000 0.988 215 S CB -0.421 62.759 63.200 -0.033 0.000 0.838 215 S HN 0.213 nan 8.310 nan 0.000 0.462 216 S N 1.493 117.164 115.700 -0.048 0.000 2.395 216 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 216 S C 1.551 176.146 174.600 -0.008 0.000 1.027 216 S CA 1.060 59.237 58.200 -0.040 0.000 0.965 216 S CB -0.765 62.419 63.200 -0.026 0.000 0.812 216 S HN 0.488 nan 8.310 nan 0.000 0.482 217 D N 1.425 121.818 120.400 -0.012 0.000 2.117 217 D HA -0.081 4.559 4.640 -0.001 0.000 0.197 217 D C 2.213 178.541 176.300 0.047 0.000 0.987 217 D CA 1.653 55.655 54.000 0.004 0.000 0.829 217 D CB -0.600 40.172 40.800 -0.047 0.000 0.961 217 D HN 0.614 nan 8.370 nan 0.000 0.460 218 S N -0.158 115.551 115.700 0.016 0.000 2.555 218 S HA -0.036 4.433 4.470 -0.001 0.000 0.230 218 S C 1.886 176.567 174.600 0.135 0.000 0.978 218 S CA 0.123 58.379 58.200 0.093 0.000 0.934 218 S CB -0.128 63.084 63.200 0.021 0.000 0.766 218 S HN 0.104 nan 8.310 nan 0.000 0.533 219 I N 2.123 122.731 120.570 0.063 0.000 2.339 219 I HA -0.032 4.137 4.170 -0.001 0.000 0.245 219 I C 1.955 178.130 176.117 0.095 0.000 1.096 219 I CA 1.032 62.362 61.300 0.050 0.000 1.408 219 I CB -1.245 36.736 38.000 -0.031 0.000 1.092 219 I HN 0.256 nan 8.210 nan 0.000 0.423 220 D N 0.198 120.657 120.400 0.098 0.000 2.116 220 D HA -0.255 4.385 4.640 -0.001 0.000 0.193 220 D C 1.763 178.161 176.300 0.162 0.000 0.998 220 D CA 1.128 55.194 54.000 0.109 0.000 0.836 220 D CB -0.398 40.456 40.800 0.090 0.000 0.951 220 D HN 0.352 nan 8.370 nan 0.000 0.449 221 W N 1.566 122.859 121.300 -0.011 0.000 2.311 221 W HA -0.185 4.474 4.660 -0.001 0.000 0.326 221 W C 2.222 178.737 176.519 -0.006 0.000 1.239 221 W CA 1.337 58.675 57.345 -0.011 0.000 1.258 221 W CB -0.918 28.531 29.460 -0.019 0.000 1.165 221 W HN -0.039 nan 8.180 nan 0.000 0.466 222 L N -0.283 120.952 121.223 0.020 0.000 1.997 222 L HA -0.349 3.990 4.340 -0.001 0.000 0.216 222 L C 2.427 179.234 176.870 -0.106 0.000 1.074 222 L CA 2.274 57.022 54.840 -0.153 0.000 0.763 222 L CB -1.525 40.507 42.059 -0.046 0.000 0.890 222 L HN -0.010 nan 8.230 nan 0.000 0.434 223 T N -0.873 113.676 114.554 -0.007 0.000 2.665 223 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 223 T C 2.063 176.750 174.700 -0.022 0.000 1.035 223 T CA 1.824 63.929 62.100 0.008 0.000 1.151 223 T CB -0.375 68.519 68.868 0.044 0.000 0.862 223 T HN 0.583 nan 8.240 nan 0.000 0.438 224 S N 0.947 116.630 115.700 -0.030 0.000 2.423 224 S HA 0.014 4.484 4.470 -0.001 0.000 0.231 224 S C 1.907 176.449 174.600 -0.096 0.000 1.014 224 S CA 0.784 58.963 58.200 -0.036 0.000 0.965 224 S CB -0.562 62.641 63.200 0.004 0.000 0.785 224 S HN 0.413 nan 8.310 nan 0.000 0.495 225 M N 0.826 120.313 119.600 -0.188 0.000 2.618 225 M HA 0.246 4.726 4.480 -0.001 0.000 0.240 225 M C 1.505 177.726 176.300 -0.131 0.000 1.123 225 M CA 0.744 55.915 55.300 -0.215 0.000 1.060 225 M CB 0.184 32.559 32.600 -0.376 0.000 1.535 225 M HN 0.664 nan 8.290 nan 0.000 0.507 226 G N -0.337 108.416 108.800 -0.079 0.000 2.184 226 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.206 226 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.206 226 G C 0.199 175.108 174.900 0.016 0.000 0.995 226 G CA -0.174 44.912 45.100 -0.024 0.000 0.651 226 G HN 0.653 nan 8.290 nan 0.000 0.511 227 A N 0.032 122.832 122.820 -0.033 0.000 2.406 227 A HA 0.542 4.862 4.320 -0.001 0.000 0.243 227 A C 0.197 177.903 177.584 0.202 0.000 1.082 227 A CA 0.942 52.987 52.037 0.013 0.000 0.786 227 A CB 0.515 19.460 19.000 -0.093 0.000 1.029 227 A HN 0.808 nan 8.150 nan 0.000 0.495 228 D N 1.005 121.683 120.400 0.463 0.000 2.421 228 D HA 0.417 5.057 4.640 -0.001 0.000 0.254 228 D C -0.480 175.944 176.300 0.207 0.000 1.238 228 D CA -0.325 53.812 54.000 0.227 0.000 0.919 228 D CB 0.533 41.366 40.800 0.054 0.000 1.152 228 D HN 0.186 nan 8.370 nan 0.000 0.552 229 M N 2.974 122.670 119.600 0.159 0.000 2.778 229 M HA 0.095 4.574 4.480 -0.001 0.000 0.359 229 M C 1.187 177.562 176.300 0.126 0.000 1.216 229 M CA -0.013 55.392 55.300 0.174 0.000 0.935 229 M CB -0.062 32.669 32.600 0.218 0.000 1.330 229 M HN 0.461 nan 8.290 nan 0.000 0.516 230 T N -3.446 111.139 114.554 0.052 0.000 3.129 230 T HA 0.066 4.415 4.350 -0.001 0.000 0.251 230 T C 0.264 174.922 174.700 -0.070 0.000 1.117 230 T CA 0.021 62.120 62.100 -0.002 0.000 1.034 230 T CB 0.048 68.920 68.868 0.006 0.000 0.968 230 T HN 0.159 nan 8.240 nan 0.000 0.526 231 D N 1.295 121.645 120.400 -0.084 0.000 2.329 231 D HA 0.424 5.064 4.640 -0.001 0.000 0.232 231 D C -1.022 175.178 176.300 -0.168 0.000 1.088 231 D CA -0.503 53.439 54.000 -0.097 0.000 0.835 231 D CB 1.438 42.201 40.800 -0.062 0.000 1.078 231 D HN 0.038 nan 8.370 nan 0.000 0.495 232 V N 3.566 123.370 119.914 -0.184 0.000 2.448 232 V HA 0.859 4.979 4.120 -0.001 0.000 0.295 232 V C 0.867 176.897 176.094 -0.106 0.000 1.025 232 V CA -0.497 61.663 62.300 -0.232 0.000 0.859 232 V CB 1.440 33.057 31.823 -0.344 0.000 0.988 232 V HN 0.640 nan 8.190 nan 0.000 0.431 233 G N 3.452 112.215 108.800 -0.062 0.000 2.818 233 G HA2 0.684 4.643 3.960 -0.001 0.000 0.286 233 G HA3 0.684 4.643 3.960 -0.001 0.000 0.286 233 G C -1.161 173.736 174.900 -0.005 0.000 1.364 233 G CA -1.020 44.063 45.100 -0.028 0.000 0.938 233 G HN 0.620 nan 8.290 nan 0.000 0.490 234 R N -0.468 120.033 120.500 0.001 0.000 2.459 234 R HA 0.683 5.023 4.340 -0.001 0.000 0.281 234 R C -0.020 176.283 176.300 0.004 0.000 1.050 234 R CA -0.159 55.947 56.100 0.009 0.000 1.055 234 R CB 0.658 30.965 30.300 0.012 0.000 1.045 234 R HN 0.337 nan 8.270 nan 0.000 0.495 235 M N 1.358 120.959 119.600 0.003 0.000 2.658 235 M HA 0.405 4.884 4.480 -0.001 0.000 0.295 235 M C 0.149 176.437 176.300 -0.020 0.000 1.248 235 M CA -0.940 54.353 55.300 -0.012 0.000 0.843 235 M CB 1.797 34.391 32.600 -0.010 0.000 1.749 235 M HN 0.823 nan 8.290 nan 0.000 0.464 236 G N -0.569 108.206 108.800 -0.041 0.000 2.483 236 G HA2 0.444 4.403 3.960 -0.001 0.000 0.248 236 G HA3 0.444 4.403 3.960 -0.001 0.000 0.248 236 G C 0.791 175.670 174.900 -0.035 0.000 1.248 236 G CA 0.485 45.561 45.100 -0.041 0.000 0.838 236 G HN 1.110 nan 8.290 nan 0.000 0.566 237 G N -0.363 108.424 108.800 -0.022 0.000 2.195 237 G HA2 0.143 4.102 3.960 -0.001 0.000 0.246 237 G HA3 0.143 4.102 3.960 -0.001 0.000 0.246 237 G C 0.651 175.548 174.900 -0.006 0.000 0.984 237 G CA 0.673 45.763 45.100 -0.017 0.000 0.633 237 G HN 1.889 nan 8.290 nan 0.000 0.525 238 A N 0.132 122.952 122.820 -0.000 0.000 2.279 238 A HA 0.804 5.123 4.320 -0.001 0.000 0.303 238 A C 1.318 178.909 177.584 0.012 0.000 1.108 238 A CA 0.929 52.971 52.037 0.009 0.000 0.830 238 A CB 0.942 19.951 19.000 0.017 0.000 1.106 238 A HN 1.255 nan 8.150 nan 0.000 0.493 239 S N -0.531 115.178 115.700 0.014 0.000 2.524 239 S HA 0.336 4.805 4.470 -0.001 0.000 0.215 239 S C 0.261 174.872 174.600 0.018 0.000 0.986 239 S CA 0.031 58.240 58.200 0.014 0.000 0.911 239 S CB -0.176 63.032 63.200 0.012 0.000 0.805 239 S HN 0.488 nan 8.310 nan 0.000 0.501 240 V N 2.090 122.018 119.914 0.023 0.000 3.001 240 V HA 0.424 4.544 4.120 -0.001 0.000 0.314 240 V C -0.954 175.159 176.094 0.031 0.000 1.099 240 V CA -1.249 61.067 62.300 0.027 0.000 0.989 240 V CB 1.828 33.670 31.823 0.032 0.000 1.040 240 V HN 0.096 nan 8.190 nan 0.000 0.434 241 N N 2.603 121.321 118.700 0.029 0.000 2.416 241 N HA 0.293 5.032 4.740 -0.001 0.000 0.265 241 N C 0.603 176.143 175.510 0.050 0.000 1.195 241 N CA -0.025 53.041 53.050 0.026 0.000 0.943 241 N CB 0.148 38.640 38.487 0.009 0.000 1.115 241 N HN 0.739 nan 8.380 nan 0.000 0.481 242 R N -0.453 120.090 120.500 0.072 0.000 2.527 242 R HA 0.288 4.628 4.340 -0.001 0.000 0.402 242 R C -0.620 175.819 176.300 0.233 0.000 0.933 242 R CA -0.442 55.752 56.100 0.157 0.000 1.171 242 R CB -0.041 30.333 30.300 0.124 0.000 1.612 242 R HN 0.092 nan 8.270 nan 0.000 0.546 243 S N 1.827 117.607 115.700 0.133 0.000 2.416 243 S HA 0.243 4.713 4.470 -0.001 0.000 0.287 243 S C -0.956 173.735 174.600 0.151 0.000 1.139 243 S CA -0.423 57.871 58.200 0.157 0.000 1.058 243 S CB 0.218 63.462 63.200 0.073 0.000 0.967 243 S HN 0.300 nan 8.310 nan 0.000 0.495 244 H N 3.386 122.477 119.070 0.035 0.000 2.582 244 H HA 0.636 5.192 4.556 -0.001 0.000 0.345 244 H C 0.783 176.139 175.328 0.046 0.000 1.104 244 H CA -0.185 55.887 56.048 0.040 0.000 1.390 244 H CB 0.616 30.407 29.762 0.049 0.000 1.461 244 H HN 0.573 nan 8.280 nan 0.000 0.551 245 R N 1.411 121.966 120.500 0.092 0.000 2.709 245 R HA 0.344 4.683 4.340 -0.001 0.000 0.270 245 R C -3.579 172.747 176.300 0.043 0.000 1.038 245 R CA -2.121 54.026 56.100 0.078 0.000 0.872 245 R CB 0.531 30.855 30.300 0.040 0.000 1.259 245 R HN 0.326 nan 8.270 nan 0.000 0.473 246 P HA 0.030 nan 4.420 nan 0.000 0.266 246 P C -0.387 176.875 177.300 -0.063 0.000 1.195 246 P CA 0.276 63.347 63.100 -0.049 0.000 0.768 246 P CB 0.219 31.806 31.700 -0.189 0.000 0.838 247 T N 2.488 117.004 114.554 -0.064 0.000 2.588 247 T HA 0.115 4.465 4.350 -0.001 0.000 0.236 247 T C 1.471 176.135 174.700 -0.060 0.000 1.027 247 T CA 1.744 63.811 62.100 -0.056 0.000 1.167 247 T CB -1.018 67.817 68.868 -0.056 0.000 1.014 247 T HN 0.905 nan 8.240 nan 0.000 0.476 248 G N 2.412 111.181 108.800 -0.052 0.000 2.176 248 G HA2 0.047 4.007 3.960 -0.001 0.000 0.253 248 G HA3 0.047 4.007 3.960 -0.001 0.000 0.253 248 G C 0.932 175.797 174.900 -0.059 0.000 0.979 248 G CA 0.316 45.385 45.100 -0.052 0.000 0.641 248 G HN 2.174 nan 8.290 nan 0.000 0.530 249 G N -1.191 107.574 108.800 -0.057 0.000 2.134 249 G HA2 0.285 4.244 3.960 -0.001 0.000 0.209 249 G HA3 0.285 4.244 3.960 -0.001 0.000 0.209 249 G C 0.675 175.534 174.900 -0.068 0.000 0.993 249 G CA 0.998 46.063 45.100 -0.059 0.000 0.669 249 G HN 2.265 nan 8.290 nan 0.000 0.519 250 A N 0.369 123.147 122.820 -0.070 0.000 2.425 250 A HA 0.708 5.028 4.320 -0.001 0.000 0.249 250 A C 1.380 178.935 177.584 -0.048 0.000 1.084 250 A CA 0.867 52.857 52.037 -0.078 0.000 0.781 250 A CB 0.333 19.279 19.000 -0.090 0.000 1.019 250 A HN 1.867 nan 8.150 nan 0.000 0.490 251 G N -0.070 108.700 108.800 -0.049 0.000 2.647 251 G HA2 0.325 4.285 3.960 -0.001 0.000 0.234 251 G HA3 0.325 4.285 3.960 -0.001 0.000 0.234 251 G C 0.769 175.691 174.900 0.038 0.000 1.252 251 G CA 0.193 45.286 45.100 -0.012 0.000 0.846 251 G HN 1.080 nan 8.290 nan 0.000 0.589 252 V N 1.582 121.537 119.914 0.067 0.000 3.125 252 V HA 0.118 4.237 4.120 -0.001 0.000 0.249 252 V C 2.810 178.963 176.094 0.100 0.000 1.113 252 V CA 1.309 63.678 62.300 0.115 0.000 1.106 252 V CB -0.826 31.057 31.823 0.101 0.000 0.768 252 V HN 0.803 nan 8.190 nan 0.000 0.468 253 G N 1.036 109.874 108.800 0.064 0.000 2.545 253 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.217 253 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.217 253 G C 1.748 176.677 174.900 0.048 0.000 1.218 253 G CA 1.497 46.627 45.100 0.049 0.000 0.787 253 G HN 0.624 nan 8.290 nan 0.000 0.571 254 A N 0.118 122.969 122.820 0.052 0.000 1.933 254 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 254 A C 2.140 179.782 177.584 0.097 0.000 1.175 254 A CA 2.224 54.299 52.037 0.064 0.000 0.628 254 A CB -0.785 18.259 19.000 0.073 0.000 0.814 254 A HN 0.584 nan 8.150 nan 0.000 0.444 255 H N -0.047 119.031 119.070 0.014 0.000 2.270 255 H HA -0.083 4.472 4.556 -0.001 0.000 0.299 255 H C 1.862 177.204 175.328 0.022 0.000 1.077 255 H CA 2.206 58.264 56.048 0.016 0.000 1.294 255 H CB -0.498 29.271 29.762 0.011 0.000 1.371 255 H HN 0.098 nan 8.280 nan 0.000 0.491 256 V N 0.935 120.757 119.914 -0.153 0.000 2.407 256 V HA -0.233 3.887 4.120 -0.001 0.000 0.248 256 V C 2.778 178.831 176.094 -0.068 0.000 1.055 256 V CA 1.630 63.827 62.300 -0.171 0.000 1.049 256 V CB -1.335 30.455 31.823 -0.055 0.000 0.662 256 V HN 0.692 nan 8.190 nan 0.000 0.455 257 A N -0.397 122.419 122.820 -0.006 0.000 1.858 257 A HA -0.305 4.015 4.320 -0.001 0.000 0.216 257 A C 2.195 179.812 177.584 0.056 0.000 1.190 257 A CA 2.241 54.296 52.037 0.030 0.000 0.617 257 A CB -0.614 18.398 19.000 0.020 0.000 0.827 257 A HN 0.519 nan 8.150 nan 0.000 0.443 258 Q N -0.066 119.755 119.800 0.035 0.000 2.050 258 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 258 Q C 2.063 178.105 176.000 0.071 0.000 0.980 258 Q CA 2.431 58.278 55.803 0.074 0.000 0.840 258 Q CB -0.770 28.001 28.738 0.056 0.000 0.898 258 Q HN 0.663 nan 8.270 nan 0.000 0.424 259 V N -0.615 119.275 119.914 -0.040 0.000 2.332 259 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 259 V C 2.002 178.061 176.094 -0.058 0.000 1.055 259 V CA 2.129 64.386 62.300 -0.073 0.000 1.038 259 V CB -0.566 31.152 31.823 -0.175 0.000 0.651 259 V HN 0.456 nan 8.190 nan 0.000 0.450 260 L N -0.775 120.417 121.223 -0.052 0.000 2.191 260 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 260 L C 2.532 179.441 176.870 0.065 0.000 1.103 260 L CA 2.247 57.065 54.840 -0.037 0.000 0.769 260 L CB -0.602 41.451 42.059 -0.010 0.000 0.908 260 L HN 0.698 nan 8.230 nan 0.000 0.438 261 W N 1.266 122.535 121.300 -0.051 0.000 2.409 261 W HA -0.173 4.486 4.660 -0.000 0.000 0.299 261 W C 1.850 178.353 176.519 -0.027 0.000 1.203 261 W CA 1.367 58.697 57.345 -0.025 0.000 1.298 261 W CB -0.058 29.394 29.460 -0.013 0.000 1.127 261 W HN 0.230 nan 8.180 nan 0.000 0.528 262 D N 0.432 120.915 120.400 0.138 0.000 2.088 262 D HA -0.252 4.387 4.640 -0.001 0.000 0.191 262 D C 1.818 178.056 176.300 -0.103 0.000 0.992 262 D CA 1.790 55.800 54.000 0.017 0.000 0.831 262 D CB -0.975 39.865 40.800 0.066 0.000 0.973 262 D HN 0.244 nan 8.370 nan 0.000 0.447 263 N N 0.826 119.472 118.700 -0.090 0.000 2.149 263 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 263 N C 1.805 177.235 175.510 -0.133 0.000 1.019 263 N CA 1.199 54.178 53.050 -0.119 0.000 0.857 263 N CB -0.074 38.319 38.487 -0.157 0.000 0.997 263 N HN 0.116 nan 8.380 nan 0.000 0.426 264 A N 1.394 124.120 122.820 -0.157 0.000 1.858 264 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 264 A C 2.580 180.027 177.584 -0.227 0.000 1.190 264 A CA 1.325 53.261 52.037 -0.168 0.000 0.617 264 A CB -0.941 17.954 19.000 -0.174 0.000 0.827 264 A HN 0.096 nan 8.150 nan 0.000 0.443 265 V N 0.765 120.456 119.914 -0.372 0.000 2.469 265 V HA -0.277 3.842 4.120 -0.001 0.000 0.251 265 V C 2.567 178.546 176.094 -0.190 0.000 1.064 265 V CA 2.384 64.471 62.300 -0.354 0.000 1.066 265 V CB -0.664 30.845 31.823 -0.523 0.000 0.667 265 V HN 0.710 nan 8.190 nan 0.000 0.461 266 K N 0.144 120.457 120.400 -0.145 0.000 2.288 266 K HA -0.080 4.239 4.320 -0.001 0.000 0.201 266 K C 1.322 177.879 176.600 -0.071 0.000 1.048 266 K CA 0.500 56.735 56.287 -0.087 0.000 0.956 266 K CB 0.173 32.633 32.500 -0.067 0.000 0.746 266 K HN 0.444 nan 8.250 nan 0.000 0.461 267 R N -1.020 119.434 120.500 -0.077 0.000 2.527 267 R HA 0.202 4.542 4.340 -0.001 0.000 0.236 267 R C 0.782 177.046 176.300 -0.059 0.000 1.257 267 R CA -0.008 56.060 56.100 -0.052 0.000 1.088 267 R CB 0.194 30.471 30.300 -0.038 0.000 1.396 267 R HN 0.092 nan 8.270 nan 0.000 0.571 268 G N 0.484 109.256 108.800 -0.046 0.000 4.294 268 G HA2 0.069 4.029 3.960 -0.001 0.000 0.301 268 G HA3 0.069 4.029 3.960 -0.001 0.000 0.301 268 G C -0.419 174.447 174.900 -0.057 0.000 1.321 268 G CA -0.350 44.720 45.100 -0.050 0.000 1.190 268 G HN 0.329 nan 8.290 nan 0.000 0.600 269 T N 0.984 115.486 114.554 -0.086 0.000 2.867 269 T HA 0.039 4.389 4.350 -0.001 0.000 0.297 269 T C 0.110 174.762 174.700 -0.080 0.000 0.989 269 T CA 0.295 62.345 62.100 -0.083 0.000 1.159 269 T CB 1.264 70.057 68.868 -0.124 0.000 0.928 269 T HN 0.347 nan 8.240 nan 0.000 0.538 270 D N 4.214 124.593 120.400 -0.035 0.000 2.483 270 D HA 0.112 4.752 4.640 -0.001 0.000 0.220 270 D C -0.047 176.253 176.300 0.000 0.000 1.173 270 D CA -0.586 53.406 54.000 -0.013 0.000 0.964 270 D CB -0.342 40.466 40.800 0.013 0.000 1.046 270 D HN 0.450 nan 8.370 nan 0.000 0.517 271 I N 3.714 124.269 120.570 -0.025 0.000 2.379 271 I HA 0.210 4.380 4.170 -0.001 0.000 0.290 271 I C 0.840 177.012 176.117 0.091 0.000 1.063 271 I CA -0.350 60.962 61.300 0.021 0.000 1.351 271 I CB 0.612 38.576 38.000 -0.059 0.000 1.410 271 I HN 0.011 nan 8.210 nan 0.000 0.505 272 R N 6.925 127.497 120.500 0.120 0.000 2.288 272 R HA 0.511 4.850 4.340 -0.001 0.000 0.326 272 R C -0.568 175.826 176.300 0.157 0.000 0.959 272 R CA -0.726 55.460 56.100 0.144 0.000 0.834 272 R CB 1.350 31.743 30.300 0.155 0.000 1.157 272 R HN 0.548 nan 8.270 nan 0.000 0.470 273 L N 2.594 123.918 121.223 0.168 0.000 2.472 273 L HA 0.073 4.412 4.340 -0.001 0.000 0.260 273 L C 0.672 177.630 176.870 0.148 0.000 1.209 273 L CA -0.173 54.763 54.840 0.159 0.000 0.817 273 L CB 0.336 42.490 42.059 0.157 0.000 1.106 273 L HN 0.813 nan 8.230 nan 0.000 0.479 274 N N 0.003 118.780 118.700 0.127 0.000 2.708 274 N HA -0.173 4.566 4.740 -0.001 0.000 0.249 274 N C -0.464 175.075 175.510 0.048 0.000 1.097 274 N CA 0.776 53.879 53.050 0.087 0.000 0.710 274 N CB -1.110 37.457 38.487 0.134 0.000 1.032 274 N HN 0.437 nan 8.380 nan 0.000 0.551 275 S N 0.282 116.025 115.700 0.072 0.000 2.594 275 S HA 0.316 4.785 4.470 -0.001 0.000 0.322 275 S C 0.229 174.845 174.600 0.026 0.000 1.085 275 S CA -0.725 57.512 58.200 0.061 0.000 1.116 275 S CB 2.096 65.367 63.200 0.119 0.000 0.979 275 S HN 0.256 nan 8.310 nan 0.000 0.465 276 R N 3.184 123.674 120.500 -0.016 0.000 2.393 276 R HA 0.511 4.851 4.340 -0.001 0.000 0.310 276 R C -1.064 175.229 176.300 -0.013 0.000 0.968 276 R CA -0.470 55.630 56.100 0.001 0.000 0.867 276 R CB 0.812 31.110 30.300 -0.003 0.000 1.124 276 R HN 0.394 nan 8.270 nan 0.000 0.450 277 V N 6.220 126.138 119.914 0.006 0.000 2.455 277 V HA 0.037 4.157 4.120 -0.001 0.000 0.273 277 V C 1.132 177.238 176.094 0.020 0.000 1.045 277 V CA -0.093 62.207 62.300 -0.001 0.000 0.976 277 V CB 1.208 33.036 31.823 0.009 0.000 0.993 277 V HN 0.769 nan 8.190 nan 0.000 0.475 278 V N 2.305 122.236 119.914 0.027 0.000 3.578 278 V HA 0.513 4.633 4.120 -0.001 0.000 0.290 278 V C 0.530 176.633 176.094 0.015 0.000 1.376 278 V CA 0.085 62.408 62.300 0.038 0.000 1.083 278 V CB -0.351 31.525 31.823 0.087 0.000 0.911 278 V HN 0.821 nan 8.190 nan 0.000 0.433 279 R N -0.189 120.314 120.500 0.004 0.000 2.725 279 R HA 0.543 4.882 4.340 -0.001 0.000 0.254 279 R C -2.202 174.095 176.300 -0.006 0.000 1.076 279 R CA -0.704 55.393 56.100 -0.006 0.000 0.940 279 R CB 2.004 32.288 30.300 -0.027 0.000 1.260 279 R HN 0.300 nan 8.270 nan 0.000 0.466 280 I N 4.806 125.375 120.570 -0.002 0.000 2.336 280 I HA 0.301 4.470 4.170 -0.001 0.000 0.292 280 I C -0.165 175.952 176.117 -0.001 0.000 0.991 280 I CA -0.605 60.696 61.300 0.002 0.000 1.227 280 I CB 1.472 39.475 38.000 0.006 0.000 1.366 280 I HN 0.350 nan 8.210 nan 0.000 0.466 281 L N 6.580 127.805 121.223 0.003 0.000 2.326 281 L HA 0.350 4.690 4.340 -0.001 0.000 0.278 281 L C 0.676 177.551 176.870 0.009 0.000 1.092 281 L CA -0.730 54.111 54.840 0.003 0.000 0.810 281 L CB 0.253 42.315 42.059 0.006 0.000 1.153 281 L HN 0.575 nan 8.230 nan 0.000 0.439 282 E N 1.997 122.200 120.200 0.005 0.000 2.416 282 E HA 0.119 4.469 4.350 -0.001 0.000 0.254 282 E C -0.708 175.898 176.600 0.010 0.000 1.241 282 E CA -0.236 56.166 56.400 0.004 0.000 0.969 282 E CB 1.199 30.897 29.700 -0.003 0.000 0.999 282 E HN 0.812 nan 8.360 nan 0.000 0.481 283 D N -0.576 119.830 120.400 0.009 0.000 2.010 283 D HA 0.051 4.691 4.640 -0.001 0.000 0.056 283 D C 0.267 176.574 176.300 0.011 0.000 1.444 283 D CA 0.711 54.719 54.000 0.013 0.000 0.983 283 D CB -0.647 40.166 40.800 0.022 0.000 2.961 283 D HN 0.417 nan 8.370 nan 0.000 0.194 284 A N 0.896 123.724 122.820 0.013 0.000 2.611 284 A HA 0.710 5.029 4.320 -0.001 0.000 0.208 284 A C 1.188 178.778 177.584 0.009 0.000 1.958 284 A CA 0.858 52.902 52.037 0.012 0.000 1.718 284 A CB -0.661 18.349 19.000 0.017 0.000 1.357 284 A HN 0.844 nan 8.150 nan 0.000 0.428 285 S N 0.291 115.998 115.700 0.011 0.000 3.965 285 S HA 0.461 4.931 4.470 -0.001 0.000 0.195 285 S C 0.941 175.545 174.600 0.007 0.000 1.449 285 S CA 0.216 58.420 58.200 0.007 0.000 0.965 285 S CB -1.455 61.750 63.200 0.008 0.000 1.459 285 S HN 2.237 nan 8.310 nan 0.000 0.476 286 G N 1.901 110.704 108.800 0.004 0.000 2.357 286 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.282 286 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.282 286 G C 0.063 174.964 174.900 0.003 0.000 0.910 286 G CA 0.600 45.700 45.100 0.000 0.000 1.267 286 G HN 0.829 nan 8.290 nan 0.000 0.476 287 K N 0.255 120.666 120.400 0.018 0.000 2.172 287 K HA 0.493 4.812 4.320 -0.001 0.000 0.276 287 K C 0.392 177.010 176.600 0.031 0.000 1.013 287 K CA -0.868 55.439 56.287 0.033 0.000 0.913 287 K CB 1.165 33.705 32.500 0.068 0.000 1.055 287 K HN 0.005 nan 8.250 nan 0.000 0.461 288 V N 4.121 124.049 119.914 0.023 0.000 2.470 288 V HA 0.005 4.125 4.120 -0.001 0.000 0.276 288 V C 1.203 177.334 176.094 0.062 0.000 1.040 288 V CA 0.303 62.618 62.300 0.026 0.000 1.008 288 V CB 0.977 32.800 31.823 -0.001 0.000 0.990 288 V HN 1.048 nan 8.190 nan 0.000 0.477 289 T N 1.038 115.623 114.554 0.053 0.000 3.054 289 T HA 0.575 4.925 4.350 -0.001 0.000 0.255 289 T C 0.700 175.436 174.700 0.059 0.000 1.035 289 T CA 0.353 62.490 62.100 0.062 0.000 0.941 289 T CB 0.577 69.474 68.868 0.047 0.000 1.026 289 T HN 1.213 nan 8.240 nan 0.000 0.533 290 G N 0.043 108.874 108.800 0.052 0.000 2.332 290 G HA2 0.384 4.344 3.960 -0.001 0.000 0.265 290 G HA3 0.384 4.344 3.960 -0.001 0.000 0.265 290 G C -1.928 172.989 174.900 0.030 0.000 1.329 290 G CA -0.112 45.016 45.100 0.047 0.000 0.949 290 G HN 0.610 nan 8.290 nan 0.000 0.476 291 V N -0.286 119.638 119.914 0.017 0.000 3.258 291 V HA 0.737 4.856 4.120 -0.001 0.000 0.299 291 V C -1.230 174.847 176.094 -0.028 0.000 1.376 291 V CA -0.807 61.491 62.300 -0.002 0.000 1.063 291 V CB 2.121 33.945 31.823 0.002 0.000 1.103 291 V HN 0.999 nan 8.190 nan 0.000 0.451 292 L N 3.529 124.728 121.223 -0.041 0.000 2.298 292 L HA 0.651 4.991 4.340 -0.001 0.000 0.284 292 L C -0.890 175.925 176.870 -0.092 0.000 1.013 292 L CA -0.388 54.417 54.840 -0.057 0.000 0.824 292 L CB 1.610 43.648 42.059 -0.035 0.000 1.221 292 L HN 0.521 nan 8.230 nan 0.000 0.418 293 V N 4.338 124.086 119.914 -0.277 0.000 2.617 293 V HA 0.349 4.468 4.120 -0.001 0.000 0.298 293 V C -0.116 175.825 176.094 -0.254 0.000 1.048 293 V CA -0.725 61.343 62.300 -0.387 0.000 0.964 293 V CB 1.763 33.027 31.823 -0.932 0.000 1.004 293 V HN 0.687 nan 8.190 nan 0.000 0.466 294 K N 2.923 123.228 120.400 -0.160 0.000 2.521 294 K HA 0.593 4.912 4.320 -0.001 0.000 0.248 294 K C -0.029 176.458 176.600 -0.188 0.000 0.978 294 K CA -0.100 56.031 56.287 -0.260 0.000 0.947 294 K CB 0.948 33.258 32.500 -0.317 0.000 1.165 294 K HN 0.820 nan 8.250 nan 0.000 0.445 295 G N 2.650 111.413 108.800 -0.063 0.000 2.432 295 G HA2 0.049 4.009 3.960 -0.001 0.000 0.257 295 G HA3 0.049 4.009 3.960 -0.001 0.000 0.257 295 G C 0.251 175.053 174.900 -0.163 0.000 1.238 295 G CA -0.450 44.665 45.100 0.025 0.000 0.838 295 G HN 0.781 nan 8.290 nan 0.000 0.547 296 E N 1.172 121.207 120.200 -0.275 0.000 2.058 296 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 296 E C 1.456 177.681 176.600 -0.625 0.000 0.997 296 E CA 1.629 57.682 56.400 -0.578 0.000 0.801 296 E CB 0.032 29.193 29.700 -0.898 0.000 0.746 296 E HN 0.791 nan 8.360 nan 0.000 0.450 297 Y N -0.977 119.328 120.300 0.008 0.000 2.524 297 Y HA 0.018 4.568 4.550 -0.001 0.000 0.270 297 Y C 2.350 178.246 175.900 -0.007 0.000 1.094 297 Y CA 0.980 59.082 58.100 0.004 0.000 1.276 297 Y CB 0.319 38.796 38.460 0.028 0.000 1.130 297 Y HN 0.032 nan 8.280 nan 0.000 0.536 298 T N -2.173 112.443 114.554 0.104 0.000 3.054 298 T HA 0.562 4.911 4.350 -0.001 0.000 0.255 298 T C 1.058 175.788 174.700 0.051 0.000 1.035 298 T CA 0.305 62.443 62.100 0.063 0.000 0.941 298 T CB -0.285 68.600 68.868 0.028 0.000 1.026 298 T HN 0.501 nan 8.240 nan 0.000 0.533 299 G N 1.094 109.891 108.800 -0.006 0.000 2.642 299 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.231 299 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.231 299 G C -0.725 174.150 174.900 -0.041 0.000 1.338 299 G CA -0.579 44.459 45.100 -0.104 0.000 0.883 299 G HN 0.515 nan 8.290 nan 0.000 0.570 300 Y N 0.636 120.999 120.300 0.105 0.000 2.425 300 Y HA 0.512 5.062 4.550 -0.001 0.000 0.331 300 Y C 0.804 176.822 175.900 0.196 0.000 1.157 300 Y CA 1.123 59.267 58.100 0.074 0.000 1.372 300 Y CB 0.783 39.255 38.460 0.020 0.000 1.253 300 Y HN 0.824 nan 8.280 nan 0.000 0.536 301 Y N -0.783 119.625 120.300 0.181 0.000 2.480 301 Y HA 0.621 5.171 4.550 -0.001 0.000 0.329 301 Y C -1.931 174.025 175.900 0.094 0.000 1.127 301 Y CA -1.722 56.442 58.100 0.107 0.000 1.037 301 Y CB 0.015 38.517 38.460 0.070 0.000 1.320 301 Y HN 0.269 nan 8.280 nan 0.000 0.446 302 V N 5.289 125.294 119.914 0.152 0.000 2.509 302 V HA 0.442 4.562 4.120 -0.001 0.000 0.284 302 V C -0.104 176.071 176.094 0.134 0.000 1.047 302 V CA -0.426 61.919 62.300 0.075 0.000 0.952 302 V CB 1.241 33.105 31.823 0.067 0.000 0.988 302 V HN 0.744 nan 8.190 nan 0.000 0.469 303 I N 4.333 124.952 120.570 0.082 0.000 2.436 303 I HA 0.521 4.690 4.170 -0.001 0.000 0.289 303 I C 0.332 176.493 176.117 0.074 0.000 1.010 303 I CA -0.375 60.992 61.300 0.112 0.000 1.098 303 I CB 1.724 39.792 38.000 0.113 0.000 1.266 303 I HN 0.665 nan 8.210 nan 0.000 0.434 304 K N 4.689 125.134 120.400 0.073 0.000 2.205 304 K HA 0.917 5.236 4.320 -0.001 0.000 0.279 304 K C -0.536 176.104 176.600 0.067 0.000 1.027 304 K CA -0.105 56.219 56.287 0.063 0.000 0.932 304 K CB 1.458 33.992 32.500 0.057 0.000 1.032 304 K HN 0.835 nan 8.250 nan 0.000 0.466 305 A N 0.824 123.688 122.820 0.073 0.000 2.609 305 A HA 0.618 4.938 4.320 -0.001 0.000 0.291 305 A C -0.109 177.542 177.584 0.112 0.000 1.096 305 A CA -0.363 51.725 52.037 0.084 0.000 0.684 305 A CB 1.155 20.204 19.000 0.081 0.000 1.282 305 A HN 0.648 nan 8.150 nan 0.000 0.412 306 D N 0.231 120.716 120.400 0.142 0.000 2.110 306 D HA 0.228 4.868 4.640 -0.001 0.000 0.202 306 D C 0.961 177.452 176.300 0.317 0.000 0.975 306 D CA 1.996 56.138 54.000 0.238 0.000 0.839 306 D CB 0.130 41.056 40.800 0.210 0.000 0.996 306 D HN 0.739 nan 8.370 nan 0.000 0.464 307 A N 0.427 123.394 122.820 0.244 0.000 2.355 307 A HA 0.582 4.901 4.320 -0.001 0.000 0.324 307 A C -0.814 176.839 177.584 0.116 0.000 1.117 307 A CA -0.447 51.694 52.037 0.173 0.000 0.785 307 A CB 2.215 21.305 19.000 0.149 0.000 1.254 307 A HN -0.047 nan 8.150 nan 0.000 0.453 308 V N 2.361 122.347 119.914 0.119 0.000 2.525 308 V HA 0.383 4.502 4.120 -0.001 0.000 0.299 308 V C -0.637 175.527 176.094 0.116 0.000 1.034 308 V CA -0.448 61.908 62.300 0.093 0.000 0.863 308 V CB 1.690 33.552 31.823 0.065 0.000 0.999 308 V HN 0.694 nan 8.190 nan 0.000 0.423 309 V N 6.559 126.530 119.914 0.095 0.000 2.394 309 V HA 0.493 4.612 4.120 -0.001 0.000 0.282 309 V C -0.032 176.115 176.094 0.089 0.000 1.031 309 V CA -0.409 61.954 62.300 0.104 0.000 0.881 309 V CB 1.726 33.596 31.823 0.078 0.000 0.982 309 V HN 0.672 nan 8.190 nan 0.000 0.451 310 I N 4.320 124.946 120.570 0.092 0.000 2.337 310 I HA 0.494 4.664 4.170 -0.001 0.000 0.285 310 I C 0.659 176.827 176.117 0.085 0.000 1.041 310 I CA -0.109 61.239 61.300 0.079 0.000 1.199 310 I CB 1.375 39.413 38.000 0.064 0.000 1.370 310 I HN 0.714 nan 8.210 nan 0.000 0.470 311 A N 4.917 127.790 122.820 0.089 0.000 2.676 311 A HA 0.573 4.892 4.320 -0.001 0.000 0.297 311 A C 1.399 179.041 177.584 0.096 0.000 1.132 311 A CA -0.045 52.050 52.037 0.096 0.000 0.972 311 A CB 0.180 19.241 19.000 0.102 0.000 1.197 311 A HN 0.726 nan 8.150 nan 0.000 0.524 312 A N -0.506 122.370 122.820 0.094 0.000 2.235 312 A HA 0.470 4.790 4.320 -0.001 0.000 0.208 312 A C 1.504 179.154 177.584 0.110 0.000 1.172 312 A CA 1.156 53.255 52.037 0.104 0.000 0.786 312 A CB -0.841 18.220 19.000 0.101 0.000 0.804 312 A HN 2.183 nan 8.150 nan 0.000 0.479 313 G N -2.237 106.617 108.800 0.091 0.000 2.725 313 G HA2 0.284 4.243 3.960 -0.001 0.000 0.220 313 G HA3 0.284 4.243 3.960 -0.001 0.000 0.220 313 G C 0.350 175.276 174.900 0.043 0.000 1.357 313 G CA -0.338 44.806 45.100 0.074 0.000 0.866 313 G HN 1.359 nan 8.290 nan 0.000 0.548 314 G N -1.888 106.899 108.800 -0.022 0.000 2.642 314 G HA2 0.792 4.752 3.960 -0.001 0.000 0.291 314 G HA3 0.792 4.752 3.960 -0.001 0.000 0.291 314 G C 0.315 175.201 174.900 -0.023 0.000 1.345 314 G CA 0.257 45.290 45.100 -0.111 0.000 1.043 314 G HN 1.719 nan 8.290 nan 0.000 0.528 315 F N -2.251 117.651 119.950 -0.081 0.000 2.735 315 F HA 0.580 5.106 4.527 -0.002 0.000 0.308 315 F C 1.721 177.476 175.800 -0.076 0.000 1.112 315 F CA -0.095 57.864 58.000 -0.070 0.000 1.235 315 F CB 0.110 39.068 39.000 -0.069 0.000 1.027 315 F HN 0.386 nan 8.300 nan 0.000 0.528 316 A N 0.974 123.578 122.820 -0.360 0.000 2.076 316 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 316 A C 2.217 179.756 177.584 -0.074 0.000 1.160 316 A CA 1.867 53.763 52.037 -0.236 0.000 0.653 316 A CB -0.496 18.372 19.000 -0.221 0.000 0.801 316 A HN 0.392 nan 8.150 nan 0.000 0.455 317 K N 0.467 120.840 120.400 -0.045 0.000 2.228 317 K HA -0.053 4.267 4.320 -0.001 0.000 0.202 317 K C 0.630 177.228 176.600 -0.002 0.000 1.051 317 K CA 0.738 57.008 56.287 -0.029 0.000 0.960 317 K CB -0.122 32.347 32.500 -0.052 0.000 0.743 317 K HN 0.392 nan 8.250 nan 0.000 0.458 318 N N 1.185 119.898 118.700 0.021 0.000 2.663 318 N HA -0.005 4.735 4.740 -0.001 0.000 0.250 318 N C -0.044 175.482 175.510 0.028 0.000 1.129 318 N CA 0.070 53.109 53.050 -0.018 0.000 0.995 318 N CB -0.010 38.421 38.487 -0.093 0.000 1.324 318 N HN 0.191 nan 8.380 nan 0.000 0.512 319 N N 2.205 120.914 118.700 0.015 0.000 2.205 319 N HA -0.157 4.583 4.740 -0.001 0.000 0.186 319 N C 1.160 176.679 175.510 0.014 0.000 1.015 319 N CA 1.259 54.324 53.050 0.026 0.000 0.862 319 N CB 0.242 38.742 38.487 0.023 0.000 0.986 319 N HN 0.556 nan 8.380 nan 0.000 0.429 320 E N 0.208 120.395 120.200 -0.022 0.000 2.013 320 E HA -0.281 4.068 4.350 -0.001 0.000 0.202 320 E C 2.043 178.613 176.600 -0.050 0.000 1.018 320 E CA 1.117 57.489 56.400 -0.047 0.000 0.834 320 E CB -0.185 29.465 29.700 -0.082 0.000 0.770 320 E HN 0.333 nan 8.360 nan 0.000 0.459 321 R N 0.618 121.074 120.500 -0.074 0.000 2.096 321 R HA -0.183 4.156 4.340 -0.001 0.000 0.240 321 R C 2.335 178.730 176.300 0.159 0.000 1.139 321 R CA 1.667 57.734 56.100 -0.056 0.000 0.952 321 R CB -0.325 29.867 30.300 -0.180 0.000 0.854 321 R HN 0.056 nan 8.270 nan 0.000 0.436 322 V N 0.260 120.325 119.914 0.251 0.000 2.392 322 V HA -0.226 3.894 4.120 -0.001 0.000 0.249 322 V C 2.167 178.375 176.094 0.191 0.000 1.059 322 V CA 2.152 64.636 62.300 0.307 0.000 1.051 322 V CB -0.320 31.590 31.823 0.146 0.000 0.658 322 V HN 0.374 nan 8.190 nan 0.000 0.455 323 S N -1.072 114.673 115.700 0.074 0.000 2.481 323 S HA -0.065 4.404 4.470 -0.001 0.000 0.231 323 S C 1.925 176.503 174.600 -0.037 0.000 0.996 323 S CA 0.616 58.821 58.200 0.008 0.000 0.942 323 S CB -0.134 63.058 63.200 -0.014 0.000 0.768 323 S HN 0.496 nan 8.310 nan 0.000 0.520 324 K N 0.198 120.539 120.400 -0.099 0.000 2.228 324 K HA 0.055 4.374 4.320 -0.001 0.000 0.202 324 K C 1.246 177.660 176.600 -0.310 0.000 1.051 324 K CA 0.949 57.085 56.287 -0.253 0.000 0.960 324 K CB -0.176 32.083 32.500 -0.401 0.000 0.743 324 K HN 0.499 nan 8.250 nan 0.000 0.458 325 Y N 0.281 120.552 120.300 -0.047 0.000 2.301 325 Y HA 0.008 4.556 4.550 -0.003 0.000 0.295 325 Y C 0.836 176.697 175.900 -0.065 0.000 1.126 325 Y CA 0.309 58.377 58.100 -0.054 0.000 1.154 325 Y CB 0.483 38.929 38.460 -0.023 0.000 1.075 325 Y HN -0.094 nan 8.280 nan 0.000 0.534 326 D N -0.568 119.900 120.400 0.114 0.000 2.375 326 D HA 0.230 4.870 4.640 -0.001 0.000 0.259 326 D C -2.440 173.844 176.300 -0.027 0.000 1.235 326 D CA -2.444 51.565 54.000 0.015 0.000 0.924 326 D CB 1.359 42.152 40.800 -0.013 0.000 1.143 326 D HN -0.068 nan 8.370 nan 0.000 0.529 327 P HA -0.072 nan 4.420 nan 0.000 0.225 327 P C 1.300 178.570 177.300 -0.049 0.000 1.148 327 P CA 0.620 63.697 63.100 -0.038 0.000 0.779 327 P CB 0.393 32.073 31.700 -0.033 0.000 0.780 328 K N -0.236 120.121 120.400 -0.071 0.000 2.089 328 K HA -0.138 4.181 4.320 -0.001 0.000 0.210 328 K C 1.614 178.100 176.600 -0.191 0.000 1.048 328 K CA 1.245 57.473 56.287 -0.099 0.000 0.926 328 K CB -0.622 31.787 32.500 -0.151 0.000 0.714 328 K HN 0.276 nan 8.250 nan 0.000 0.448 329 L N 0.734 121.784 121.223 -0.287 0.000 2.591 329 L HA 0.036 4.375 4.340 -0.001 0.000 0.228 329 L C 0.706 177.512 176.870 -0.106 0.000 1.133 329 L CA -0.103 54.461 54.840 -0.460 0.000 0.880 329 L CB -0.166 41.649 42.059 -0.407 0.000 1.033 329 L HN 0.049 nan 8.230 nan 0.000 0.450 330 K N 0.965 121.354 120.400 -0.019 0.000 2.530 330 K HA 0.068 4.388 4.320 -0.001 0.000 0.280 330 K C 1.208 177.873 176.600 0.107 0.000 1.004 330 K CA 1.040 57.347 56.287 0.033 0.000 1.071 330 K CB 0.180 32.693 32.500 0.022 0.000 0.876 330 K HN 0.247 nan 8.250 nan 0.000 0.487 331 G N 3.316 112.177 108.800 0.101 0.000 2.148 331 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.254 331 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.254 331 G C 0.017 175.017 174.900 0.166 0.000 0.981 331 G CA -0.032 45.136 45.100 0.112 0.000 0.670 331 G HN 0.537 nan 8.290 nan 0.000 0.528 332 F N 0.672 120.591 119.950 -0.052 0.000 2.375 332 F HA 0.537 5.055 4.527 -0.015 0.000 0.313 332 F C 1.308 177.033 175.800 -0.125 0.000 1.176 332 F CA -0.384 57.565 58.000 -0.084 0.000 1.142 332 F CB 0.744 39.695 39.000 -0.081 0.000 1.275 332 F HN -0.159 nan 8.300 nan 0.000 0.544 333 K N 1.128 121.459 120.400 -0.115 0.000 2.095 333 K HA 0.689 5.009 4.320 -0.001 0.000 0.252 333 K C -0.778 175.661 176.600 -0.268 0.000 0.977 333 K CA -0.818 55.333 56.287 -0.228 0.000 0.900 333 K CB 1.645 33.951 32.500 -0.323 0.000 1.060 333 K HN 0.605 nan 8.250 nan 0.000 0.449 334 A N 0.195 122.890 122.820 -0.208 0.000 2.322 334 A HA 0.359 4.678 4.320 -0.001 0.000 0.327 334 A C 0.649 178.159 177.584 -0.122 0.000 1.134 334 A CA -0.552 51.403 52.037 -0.135 0.000 0.831 334 A CB 0.903 19.870 19.000 -0.055 0.000 1.288 334 A HN 0.791 nan 8.150 nan 0.000 0.472 335 T N -1.547 113.008 114.554 0.000 0.000 3.086 335 T HA 0.146 4.496 4.350 -0.001 0.000 0.250 335 T C 0.320 175.063 174.700 0.072 0.000 1.074 335 T CA -0.033 62.138 62.100 0.119 0.000 0.988 335 T CB -0.519 68.498 68.868 0.248 0.000 0.988 335 T HN 0.443 nan 8.240 nan 0.000 0.530 336 N N 2.324 121.038 118.700 0.022 0.000 2.463 336 N HA 0.347 5.086 4.740 -0.001 0.000 0.270 336 N C -0.030 175.507 175.510 0.046 0.000 1.205 336 N CA -0.584 52.486 53.050 0.033 0.000 0.974 336 N CB 0.541 39.020 38.487 -0.014 0.000 1.197 336 N HN 0.719 nan 8.380 nan 0.000 0.504 337 H N -1.107 117.973 119.070 0.016 0.000 2.660 337 H HA 0.242 4.798 4.556 -0.001 0.000 0.374 337 H C -1.758 173.600 175.328 0.051 0.000 1.291 337 H CA -1.141 54.927 56.048 0.034 0.000 1.437 337 H CB 0.270 30.090 29.762 0.096 0.000 1.509 337 H HN 0.385 nan 8.280 nan 0.000 0.614 338 P HA -0.068 nan 4.420 nan 0.000 0.220 338 P C 1.177 178.339 177.300 -0.229 0.000 1.148 338 P CA 1.863 64.886 63.100 -0.130 0.000 0.803 338 P CB -0.152 31.646 31.700 0.165 0.000 0.782 339 G N -0.453 108.003 108.800 -0.573 0.000 3.042 339 G HA2 0.205 4.165 3.960 -0.001 0.000 0.212 339 G HA3 0.205 4.165 3.960 -0.001 0.000 0.212 339 G C 0.826 175.660 174.900 -0.111 0.000 1.166 339 G CA 0.204 45.225 45.100 -0.132 0.000 0.767 339 G HN 0.366 nan 8.290 nan 0.000 0.546 340 A N 1.350 123.988 122.820 -0.304 0.000 3.048 340 A HA 0.443 4.763 4.320 -0.001 0.000 0.264 340 A C 1.670 179.270 177.584 0.027 0.000 1.796 340 A CA 0.688 52.703 52.037 -0.036 0.000 1.445 340 A CB -0.688 18.293 19.000 -0.032 0.000 1.074 340 A HN 0.312 nan 8.150 nan 0.000 0.621 341 T N -4.113 110.497 114.554 0.093 0.000 3.044 341 T HA 0.468 4.817 4.350 -0.001 0.000 0.260 341 T C 1.274 176.037 174.700 0.106 0.000 1.019 341 T CA 0.957 63.110 62.100 0.088 0.000 0.921 341 T CB 0.472 69.412 68.868 0.119 0.000 1.053 341 T HN 1.588 nan 8.240 nan 0.000 0.533 342 G N 1.174 110.082 108.800 0.180 0.000 2.481 342 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.200 342 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.200 342 G C 0.536 175.520 174.900 0.140 0.000 1.012 342 G CA 0.327 45.508 45.100 0.135 0.000 0.676 342 G HN 0.375 nan 8.290 nan 0.000 0.488 343 D N 0.706 121.237 120.400 0.218 0.000 2.973 343 D HA -0.215 4.424 4.640 -0.001 0.000 0.203 343 D C 2.399 178.773 176.300 0.123 0.000 1.096 343 D CA 2.936 57.051 54.000 0.192 0.000 0.876 343 D CB -0.914 39.995 40.800 0.183 0.000 0.979 343 D HN 0.787 nan 8.370 nan 0.000 0.495 344 G N -0.396 108.471 108.800 0.112 0.000 2.598 344 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.215 344 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.215 344 G C 1.491 176.433 174.900 0.071 0.000 1.131 344 G CA -0.014 45.137 45.100 0.086 0.000 0.785 344 G HN 0.231 nan 8.290 nan 0.000 0.539 345 L N 0.470 121.740 121.223 0.078 0.000 2.095 345 L HA 0.006 4.345 4.340 -0.001 0.000 0.204 345 L C 2.120 179.009 176.870 0.031 0.000 1.080 345 L CA 1.634 56.506 54.840 0.053 0.000 0.759 345 L CB -0.403 41.695 42.059 0.065 0.000 0.914 345 L HN 0.115 nan 8.230 nan 0.000 0.439 346 D N -0.430 119.993 120.400 0.038 0.000 2.084 346 D HA -0.170 4.470 4.640 -0.001 0.000 0.194 346 D C 2.304 178.621 176.300 0.028 0.000 0.990 346 D CA 1.039 55.058 54.000 0.032 0.000 0.826 346 D CB -0.429 40.407 40.800 0.060 0.000 0.971 346 D HN 0.089 nan 8.370 nan 0.000 0.453 347 V N 1.452 121.389 119.914 0.039 0.000 2.250 347 V HA -0.336 3.783 4.120 -0.001 0.000 0.253 347 V C 2.480 178.585 176.094 0.018 0.000 1.065 347 V CA 2.312 64.629 62.300 0.028 0.000 1.039 347 V CB -0.837 31.009 31.823 0.037 0.000 0.647 347 V HN 0.260 nan 8.190 nan 0.000 0.446 348 A N -1.105 121.727 122.820 0.020 0.000 1.930 348 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 348 A C 2.158 179.743 177.584 0.001 0.000 1.175 348 A CA 1.706 53.749 52.037 0.010 0.000 0.627 348 A CB -0.435 18.573 19.000 0.014 0.000 0.815 348 A HN 0.525 nan 8.150 nan 0.000 0.443 349 L N -1.094 120.130 121.223 0.003 0.000 2.072 349 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 349 L C 2.528 179.395 176.870 -0.005 0.000 1.079 349 L CA 0.984 55.823 54.840 -0.003 0.000 0.752 349 L CB -0.377 41.680 42.059 -0.004 0.000 0.906 349 L HN 0.248 nan 8.230 nan 0.000 0.436 350 Q N -0.169 119.630 119.800 -0.002 0.000 2.439 350 Q HA -0.048 4.292 4.340 -0.001 0.000 0.211 350 Q C 1.793 177.788 176.000 -0.008 0.000 0.978 350 Q CA 1.147 56.947 55.803 -0.005 0.000 0.897 350 Q CB -0.354 28.381 28.738 -0.004 0.000 0.956 350 Q HN 0.455 nan 8.270 nan 0.000 0.483 351 A N -1.164 121.651 122.820 -0.008 0.000 2.345 351 A HA 0.518 4.838 4.320 -0.001 0.000 0.225 351 A C 1.311 178.885 177.584 -0.017 0.000 1.243 351 A CA 0.508 52.538 52.037 -0.012 0.000 0.875 351 A CB -0.146 18.847 19.000 -0.011 0.000 0.929 351 A HN 0.325 nan 8.150 nan 0.000 0.502 352 G N -1.565 107.225 108.800 -0.016 0.000 2.157 352 G HA2 0.077 4.037 3.960 -0.001 0.000 0.248 352 G HA3 0.077 4.037 3.960 -0.001 0.000 0.248 352 G C 0.481 175.368 174.900 -0.022 0.000 0.979 352 G CA 0.241 45.330 45.100 -0.018 0.000 0.650 352 G HN 1.596 nan 8.290 nan 0.000 0.529 353 A N 0.031 122.839 122.820 -0.021 0.000 2.445 353 A HA 0.808 5.128 4.320 -0.001 0.000 0.242 353 A C 0.994 178.567 177.584 -0.019 0.000 1.075 353 A CA 1.001 53.023 52.037 -0.025 0.000 0.777 353 A CB 0.491 19.478 19.000 -0.022 0.000 1.013 353 A HN 2.090 nan 8.150 nan 0.000 0.493 354 A N 1.604 124.411 122.820 -0.022 0.000 2.340 354 A HA 0.654 4.973 4.320 -0.001 0.000 0.268 354 A C 0.648 178.226 177.584 -0.010 0.000 1.100 354 A CA 0.410 52.437 52.037 -0.016 0.000 0.803 354 A CB 0.022 19.011 19.000 -0.020 0.000 1.043 354 A HN 1.755 nan 8.150 nan 0.000 0.488 355 T N -0.744 113.808 114.554 -0.003 0.000 2.906 355 T HA 0.808 5.158 4.350 -0.001 0.000 0.295 355 T C -0.608 174.097 174.700 0.008 0.000 1.075 355 T CA -0.907 61.195 62.100 0.003 0.000 1.005 355 T CB 1.596 70.469 68.868 0.008 0.000 1.136 355 T HN 1.248 nan 8.240 nan 0.000 0.498 356 R N 0.144 120.652 120.500 0.014 0.000 2.680 356 R HA 0.555 4.894 4.340 -0.001 0.000 0.269 356 R C -1.392 174.935 176.300 0.045 0.000 1.026 356 R CA -0.695 55.421 56.100 0.026 0.000 0.889 356 R CB 0.594 30.906 30.300 0.019 0.000 1.241 356 R HN 0.564 nan 8.270 nan 0.000 0.463 357 D N 1.941 122.389 120.400 0.081 0.000 2.882 357 D HA -0.176 4.464 4.640 -0.001 0.000 0.229 357 D C 0.863 177.193 176.300 0.049 0.000 1.167 357 D CA 1.286 55.383 54.000 0.161 0.000 0.759 357 D CB -0.862 40.088 40.800 0.249 0.000 1.088 357 D HN 0.629 nan 8.370 nan 0.000 0.425 358 L N 0.089 121.271 121.223 -0.068 0.000 2.362 358 L HA -0.160 4.179 4.340 -0.001 0.000 0.219 358 L C 2.023 178.596 176.870 -0.495 0.000 1.134 358 L CA 1.109 55.829 54.840 -0.199 0.000 0.807 358 L CB -0.273 41.625 42.059 -0.269 0.000 0.927 358 L HN 0.024 nan 8.230 nan 0.000 0.447 359 E N -1.113 118.815 120.200 -0.452 0.000 2.489 359 E HA -0.073 4.277 4.350 -0.001 0.000 0.193 359 E C -0.339 176.030 176.600 -0.385 0.000 1.057 359 E CA 0.118 56.240 56.400 -0.464 0.000 0.866 359 E CB -0.779 28.768 29.700 -0.254 0.000 0.916 359 E HN 0.369 nan 8.360 nan 0.000 0.500 360 Y N 1.026 121.265 120.300 -0.102 0.000 2.700 360 Y HA 0.373 4.922 4.550 -0.002 0.000 0.333 360 Y C 0.027 175.877 175.900 -0.082 0.000 1.036 360 Y CA -0.750 57.313 58.100 -0.061 0.000 1.287 360 Y CB 0.382 38.824 38.460 -0.031 0.000 1.132 360 Y HN -0.112 nan 8.280 nan 0.000 0.510 361 I N 3.161 123.747 120.570 0.026 0.000 2.304 361 I HA 0.130 4.299 4.170 -0.001 0.000 0.291 361 I C 0.109 176.228 176.117 0.003 0.000 1.018 361 I CA -0.497 60.778 61.300 -0.041 0.000 1.260 361 I CB 1.050 39.002 38.000 -0.080 0.000 1.390 361 I HN 0.516 nan 8.210 nan 0.000 0.475 362 Q N 5.396 125.217 119.800 0.035 0.000 2.352 362 Q HA 0.519 4.859 4.340 -0.001 0.000 0.260 362 Q C -0.686 175.352 176.000 0.062 0.000 0.976 362 Q CA -0.425 55.413 55.803 0.058 0.000 0.881 362 Q CB 1.153 29.954 28.738 0.105 0.000 1.235 362 Q HN 0.769 nan 8.270 nan 0.000 0.419 363 A N 4.267 127.110 122.820 0.039 0.000 2.303 363 A HA 0.298 4.617 4.320 -0.001 0.000 0.320 363 A C -1.304 176.320 177.584 0.067 0.000 1.192 363 A CA -0.647 51.435 52.037 0.075 0.000 0.821 363 A CB 0.876 19.918 19.000 0.071 0.000 1.188 363 A HN 0.866 nan 8.150 nan 0.000 0.492 364 H N 4.572 123.618 119.070 -0.040 0.000 2.646 364 H HA 0.242 4.797 4.556 -0.002 0.000 0.325 364 H C -1.799 173.500 175.328 -0.048 0.000 1.075 364 H CA -1.561 54.384 56.048 -0.173 0.000 1.421 364 H CB 1.798 31.349 29.762 -0.350 0.000 1.461 364 H HN 0.383 nan 8.280 nan 0.000 0.525 365 P HA -0.047 nan 4.420 nan 0.000 0.222 365 P C 0.272 177.668 177.300 0.160 0.000 1.153 365 P CA 0.786 63.958 63.100 0.120 0.000 0.798 365 P CB 0.242 31.962 31.700 0.034 0.000 0.796 366 T N -3.124 111.584 114.554 0.256 0.000 3.250 366 T HA 0.354 4.703 4.350 -0.001 0.000 0.391 366 T C -0.986 173.711 174.700 -0.004 0.000 1.502 366 T CA -0.822 61.334 62.100 0.093 0.000 1.320 366 T CB -0.680 68.220 68.868 0.053 0.000 1.102 366 T HN -0.064 nan 8.240 nan 0.000 0.610 367 Y N 2.369 122.602 120.300 -0.112 0.000 2.342 367 Y HA 0.595 5.145 4.550 -0.001 0.000 0.334 367 Y C 0.218 176.037 175.900 -0.136 0.000 1.067 367 Y CA -0.840 57.169 58.100 -0.152 0.000 1.128 367 Y CB 1.843 40.239 38.460 -0.106 0.000 1.200 367 Y HN 0.556 nan 8.280 nan 0.000 0.464 368 S N 8.596 123.876 115.700 -0.700 0.000 2.411 368 S HA 0.245 4.715 4.470 -0.001 0.000 0.304 368 S C -1.703 172.559 174.600 -0.563 0.000 1.098 368 S CA -1.694 56.209 58.200 -0.496 0.000 1.068 368 S CB 0.382 63.340 63.200 -0.404 0.000 1.032 368 S HN 0.673 nan 8.310 nan 0.000 0.511 369 P HA -0.118 nan 4.420 nan 0.000 0.216 369 P C 1.328 178.561 177.300 -0.112 0.000 1.153 369 P CA 1.434 64.494 63.100 -0.067 0.000 0.858 369 P CB 0.017 31.721 31.700 0.006 0.000 0.789 370 A N 0.148 122.905 122.820 -0.105 0.000 1.873 370 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 370 A C 2.589 180.112 177.584 -0.102 0.000 1.186 370 A CA 2.058 54.050 52.037 -0.075 0.000 0.616 370 A CB -1.912 17.066 19.000 -0.036 0.000 0.823 370 A HN 0.296 nan 8.150 nan 0.000 0.442 371 G N -1.610 107.107 108.800 -0.139 0.000 2.509 371 G HA2 0.261 4.221 3.960 -0.001 0.000 0.218 371 G HA3 0.261 4.221 3.960 -0.001 0.000 0.218 371 G C 1.309 176.092 174.900 -0.195 0.000 1.124 371 G CA 0.764 45.794 45.100 -0.118 0.000 0.776 371 G HN 1.733 nan 8.290 nan 0.000 0.547 372 G N -1.358 107.259 108.800 -0.304 0.000 2.179 372 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.257 372 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.257 372 G C 0.269 174.970 174.900 -0.331 0.000 1.010 372 G CA 1.036 45.974 45.100 -0.269 0.000 0.736 372 G HN 1.731 nan 8.290 nan 0.000 0.513 373 V N -3.900 115.699 119.914 -0.526 0.000 3.114 373 V HA 0.850 4.969 4.120 -0.001 0.000 0.308 373 V C 0.398 176.214 176.094 -0.463 0.000 1.168 373 V CA -1.091 61.011 62.300 -0.330 0.000 1.015 373 V CB 2.049 33.791 31.823 -0.134 0.000 1.050 373 V HN 0.532 nan 8.190 nan 0.000 0.433 374 M N 2.863 122.359 119.600 -0.174 0.000 2.228 374 M HA 0.451 4.931 4.480 -0.001 0.000 0.351 374 M C -1.242 174.881 176.300 -0.294 0.000 1.233 374 M CA -0.208 54.972 55.300 -0.201 0.000 1.129 374 M CB 0.695 33.203 32.600 -0.154 0.000 1.604 374 M HN 0.708 nan 8.290 nan 0.000 0.457 375 I N 4.155 124.489 120.570 -0.394 0.000 2.331 375 I HA 0.188 4.357 4.170 -0.001 0.000 0.292 375 I C 0.727 176.707 176.117 -0.229 0.000 0.998 375 I CA 0.007 60.985 61.300 -0.536 0.000 1.267 375 I CB 1.441 39.081 38.000 -0.600 0.000 1.386 375 I HN 0.640 nan 8.210 nan 0.000 0.476 376 T N 3.867 118.393 114.554 -0.047 0.000 2.906 376 T HA -0.053 4.297 4.350 -0.001 0.000 0.320 376 T C 1.317 176.061 174.700 0.073 0.000 1.088 376 T CA 0.253 62.397 62.100 0.073 0.000 1.120 376 T CB 0.301 69.237 68.868 0.112 0.000 1.000 376 T HN 0.785 nan 8.240 nan 0.000 0.550 377 E N 2.315 122.590 120.200 0.125 0.000 2.204 377 E HA -0.060 4.290 4.350 -0.001 0.000 0.194 377 E C 2.185 178.783 176.600 -0.003 0.000 0.989 377 E CA 0.906 57.329 56.400 0.038 0.000 0.824 377 E CB -0.335 29.346 29.700 -0.032 0.000 0.756 377 E HN 0.788 nan 8.360 nan 0.000 0.477 378 A N 0.296 123.119 122.820 0.006 0.000 2.084 378 A HA -0.170 4.150 4.320 -0.001 0.000 0.221 378 A C 2.265 179.817 177.584 -0.054 0.000 1.161 378 A CA 1.338 53.365 52.037 -0.016 0.000 0.653 378 A CB -0.525 18.470 19.000 -0.007 0.000 0.802 378 A HN 0.224 nan 8.150 nan 0.000 0.457 379 V N -0.334 119.531 119.914 -0.083 0.000 2.295 379 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 379 V C 2.613 178.635 176.094 -0.120 0.000 1.049 379 V CA 2.267 64.461 62.300 -0.177 0.000 1.024 379 V CB -0.755 30.906 31.823 -0.270 0.000 0.648 379 V HN 0.549 nan 8.190 nan 0.000 0.447 380 R N 0.055 120.512 120.500 -0.072 0.000 2.075 380 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 380 R C 2.493 178.778 176.300 -0.024 0.000 1.126 380 R CA 1.343 57.415 56.100 -0.046 0.000 0.963 380 R CB -0.789 29.482 30.300 -0.048 0.000 0.858 380 R HN 0.590 nan 8.270 nan 0.000 0.435 381 G N 0.788 109.574 108.800 -0.024 0.000 2.422 381 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 381 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 381 G C 1.099 176.001 174.900 0.004 0.000 1.146 381 G CA 0.674 45.770 45.100 -0.007 0.000 0.769 381 G HN 0.263 nan 8.290 nan 0.000 0.547 382 N N 0.141 118.833 118.700 -0.013 0.000 2.515 382 N HA 0.220 4.960 4.740 -0.001 0.000 0.185 382 N C 1.539 177.064 175.510 0.025 0.000 1.109 382 N CA 1.100 54.146 53.050 -0.007 0.000 0.903 382 N CB 0.308 38.770 38.487 -0.041 0.000 0.969 382 N HN 0.443 nan 8.380 nan 0.000 0.450 383 G N -2.012 106.811 108.800 0.039 0.000 2.273 383 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.162 383 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.162 383 G C 0.245 175.191 174.900 0.077 0.000 1.006 383 G CA -0.128 45.028 45.100 0.094 0.000 0.704 383 G HN 0.495 nan 8.290 nan 0.000 0.487 384 A N 0.639 123.485 122.820 0.043 0.000 2.429 384 A HA 0.642 4.961 4.320 -0.001 0.000 0.242 384 A C 0.793 178.349 177.584 -0.046 0.000 1.088 384 A CA 0.697 52.780 52.037 0.077 0.000 0.784 384 A CB 0.009 19.057 19.000 0.080 0.000 1.038 384 A HN 1.580 nan 8.150 nan 0.000 0.501 385 I N -1.466 119.051 120.570 -0.088 0.000 2.797 385 I HA 0.769 4.939 4.170 -0.001 0.000 0.307 385 I C -0.816 175.216 176.117 -0.142 0.000 1.033 385 I CA -0.962 60.197 61.300 -0.235 0.000 1.071 385 I CB 1.761 39.485 38.000 -0.459 0.000 1.255 385 I HN 0.292 nan 8.210 nan 0.000 0.445 386 V N 4.435 124.214 119.914 -0.225 0.000 2.630 386 V HA 0.611 4.730 4.120 -0.001 0.000 0.305 386 V C -0.108 175.858 176.094 -0.213 0.000 1.046 386 V CA -0.590 61.587 62.300 -0.204 0.000 0.934 386 V CB 2.099 33.743 31.823 -0.299 0.000 1.003 386 V HN 0.609 nan 8.190 nan 0.000 0.451 387 V N 4.172 124.094 119.914 0.014 0.000 2.888 387 V HA 0.450 4.570 4.120 -0.001 0.000 0.309 387 V C -0.254 176.055 176.094 0.359 0.000 1.114 387 V CA -0.837 61.544 62.300 0.134 0.000 0.940 387 V CB 2.396 34.277 31.823 0.097 0.000 1.021 387 V HN 1.081 nan 8.190 nan 0.000 0.426 388 N N 3.841 122.783 118.700 0.404 0.000 2.476 388 N HA 0.352 5.092 4.740 -0.001 0.000 0.287 388 N C 0.671 176.335 175.510 0.256 0.000 1.262 388 N CA -0.829 52.403 53.050 0.303 0.000 0.980 388 N CB 1.277 39.859 38.487 0.159 0.000 1.163 388 N HN 0.459 nan 8.380 nan 0.000 0.592 389 R N -0.372 120.245 120.500 0.196 0.000 2.200 389 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 389 R C 0.635 176.997 176.300 0.104 0.000 1.127 389 R CA 1.317 57.527 56.100 0.184 0.000 0.989 389 R CB -0.069 30.304 30.300 0.122 0.000 0.869 389 R HN 0.621 nan 8.270 nan 0.000 0.459 390 E N -1.256 118.998 120.200 0.090 0.000 2.489 390 E HA 0.092 4.441 4.350 -0.001 0.000 0.193 390 E C 0.832 177.470 176.600 0.063 0.000 1.057 390 E CA 0.564 57.003 56.400 0.065 0.000 0.866 390 E CB 0.769 30.507 29.700 0.065 0.000 0.916 390 E HN 0.439 nan 8.360 nan 0.000 0.500 391 G N 0.628 109.475 108.800 0.079 0.000 2.159 391 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.256 391 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.256 391 G C 0.005 174.951 174.900 0.078 0.000 0.977 391 G CA 0.167 45.299 45.100 0.054 0.000 0.652 391 G HN 0.353 nan 8.290 nan 0.000 0.531 392 N N -0.469 118.304 118.700 0.123 0.000 2.456 392 N HA 0.599 5.339 4.740 -0.001 0.000 0.296 392 N C 0.322 175.943 175.510 0.185 0.000 1.102 392 N CA -0.829 52.312 53.050 0.152 0.000 0.924 392 N CB 0.763 39.355 38.487 0.174 0.000 1.186 392 N HN 0.212 nan 8.380 nan 0.000 0.492 393 R N 1.114 121.716 120.500 0.170 0.000 2.491 393 R HA 0.125 4.464 4.340 -0.001 0.000 0.283 393 R C 0.069 176.348 176.300 -0.036 0.000 1.072 393 R CA 0.116 56.230 56.100 0.023 0.000 1.048 393 R CB 0.278 30.645 30.300 0.112 0.000 0.983 393 R HN 0.669 nan 8.270 nan 0.000 0.450 394 F N 0.071 119.816 119.950 -0.342 0.000 2.706 394 F HA 0.359 4.895 4.527 0.016 0.000 0.313 394 F C -0.278 174.882 175.800 -1.067 0.000 1.096 394 F CA -0.806 56.899 58.000 -0.491 0.000 1.219 394 F CB 0.340 39.239 39.000 -0.167 0.000 1.051 394 F HN 0.246 nan 8.300 nan 0.000 0.568 395 M N -0.596 118.127 119.600 -1.462 0.000 2.880 395 M HA 0.363 4.843 4.480 -0.001 0.000 0.269 395 M C -1.309 174.618 176.300 -0.623 0.000 1.248 395 M CA -1.127 53.558 55.300 -1.026 0.000 0.821 395 M CB 0.560 32.915 32.600 -0.409 0.000 1.650 395 M HN -0.123 nan 8.290 nan 0.000 0.479 396 N N 0.738 119.317 118.700 -0.201 0.000 2.405 396 N HA 0.203 4.942 4.740 -0.001 0.000 0.260 396 N C -0.360 175.094 175.510 -0.094 0.000 1.152 396 N CA 0.138 53.175 53.050 -0.022 0.000 0.948 396 N CB 0.713 39.239 38.487 0.065 0.000 1.111 396 N HN 0.761 nan 8.380 nan 0.000 0.485 397 E N 2.539 122.680 120.200 -0.099 0.000 2.482 397 E HA -0.001 4.349 4.350 -0.001 0.000 0.196 397 E C 0.576 177.136 176.600 -0.068 0.000 1.047 397 E CA 0.683 57.011 56.400 -0.120 0.000 0.869 397 E CB -0.157 29.454 29.700 -0.149 0.000 0.836 397 E HN 0.823 nan 8.360 nan 0.000 0.520 398 I N -2.305 118.246 120.570 -0.032 0.000 3.736 398 I HA 0.284 4.453 4.170 -0.001 0.000 0.338 398 I C 0.505 176.606 176.117 -0.026 0.000 1.558 398 I CA -0.486 60.799 61.300 -0.026 0.000 1.147 398 I CB 0.476 38.474 38.000 -0.004 0.000 1.275 398 I HN -0.222 nan 8.210 nan 0.000 0.454 399 T N 1.532 116.065 114.554 -0.035 0.000 2.824 399 T HA 0.307 4.657 4.350 -0.001 0.000 0.277 399 T C 0.747 175.420 174.700 -0.044 0.000 0.975 399 T CA 0.111 62.195 62.100 -0.027 0.000 0.966 399 T CB 0.947 69.804 68.868 -0.017 0.000 1.054 399 T HN 0.565 nan 8.240 nan 0.000 0.533 400 T N 1.123 115.655 114.554 -0.036 0.000 2.918 400 T HA 0.261 4.610 4.350 -0.001 0.000 0.302 400 T C 1.461 176.126 174.700 -0.058 0.000 1.045 400 T CA -0.659 61.410 62.100 -0.050 0.000 1.114 400 T CB 0.573 69.418 68.868 -0.039 0.000 0.965 400 T HN 0.631 nan 8.240 nan 0.000 0.540 401 R N 1.981 122.429 120.500 -0.086 0.000 2.115 401 R HA -0.077 4.262 4.340 -0.001 0.000 0.230 401 R C 1.688 177.959 176.300 -0.048 0.000 1.111 401 R CA 1.626 57.665 56.100 -0.101 0.000 0.976 401 R CB -0.737 29.462 30.300 -0.168 0.000 0.870 401 R HN 0.830 nan 8.270 nan 0.000 0.445 402 D N 1.476 121.858 120.400 -0.030 0.000 2.104 402 D HA -0.169 4.471 4.640 -0.001 0.000 0.194 402 D C 1.611 177.916 176.300 0.008 0.000 0.994 402 D CA 1.284 55.281 54.000 -0.004 0.000 0.830 402 D CB -0.354 40.448 40.800 0.003 0.000 0.959 402 D HN 0.195 nan 8.370 nan 0.000 0.452 403 K N 0.401 120.803 120.400 0.004 0.000 2.025 403 K HA 0.083 4.402 4.320 -0.001 0.000 0.207 403 K C 2.362 178.978 176.600 0.026 0.000 1.049 403 K CA 1.133 57.430 56.287 0.018 0.000 0.933 403 K CB -0.263 32.245 32.500 0.014 0.000 0.714 403 K HN 0.165 nan 8.250 nan 0.000 0.438 404 A N 1.242 124.066 122.820 0.007 0.000 1.908 404 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 404 A C 2.230 179.854 177.584 0.067 0.000 1.181 404 A CA 2.027 54.079 52.037 0.025 0.000 0.627 404 A CB -0.601 18.387 19.000 -0.020 0.000 0.818 404 A HN 0.194 nan 8.150 nan 0.000 0.445 405 S N -0.078 115.652 115.700 0.050 0.000 2.356 405 S HA -0.034 4.435 4.470 -0.001 0.000 0.223 405 S C 2.352 176.995 174.600 0.072 0.000 1.032 405 S CA 1.182 59.427 58.200 0.075 0.000 1.005 405 S CB -0.595 62.653 63.200 0.079 0.000 0.867 405 S HN 0.831 nan 8.310 nan 0.000 0.449 406 A N 2.031 124.885 122.820 0.056 0.000 1.859 406 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 406 A C 2.410 180.015 177.584 0.034 0.000 1.198 406 A CA 2.132 54.195 52.037 0.044 0.000 0.629 406 A CB -1.411 17.611 19.000 0.038 0.000 0.830 406 A HN 0.547 nan 8.150 nan 0.000 0.446 407 A N -0.073 122.787 122.820 0.067 0.000 1.865 407 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 407 A C 2.126 179.648 177.584 -0.103 0.000 1.191 407 A CA 1.710 53.788 52.037 0.068 0.000 0.623 407 A CB -0.802 18.358 19.000 0.265 0.000 0.826 407 A HN 0.553 nan 8.150 nan 0.000 0.444 408 I N -0.279 120.304 120.570 0.022 0.000 2.248 408 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 408 I C 2.203 178.213 176.117 -0.180 0.000 1.107 408 I CA 1.205 62.419 61.300 -0.144 0.000 1.373 408 I CB -0.405 37.637 38.000 0.069 0.000 1.055 408 I HN 0.297 nan 8.210 nan 0.000 0.418 409 L N -0.013 121.167 121.223 -0.072 0.000 2.291 409 L HA -0.139 4.200 4.340 -0.001 0.000 0.214 409 L C 1.338 178.157 176.870 -0.085 0.000 1.120 409 L CA 0.905 55.715 54.840 -0.050 0.000 0.799 409 L CB -0.321 41.759 42.059 0.035 0.000 0.925 409 L HN 0.346 nan 8.230 nan 0.000 0.446 410 Q N -0.005 119.723 119.800 -0.121 0.000 2.296 410 Q HA 0.129 4.468 4.340 -0.001 0.000 0.273 410 Q C -0.416 175.468 176.000 -0.193 0.000 0.900 410 Q CA -0.128 55.605 55.803 -0.117 0.000 0.993 410 Q CB 0.401 29.093 28.738 -0.077 0.000 1.132 410 Q HN 0.303 nan 8.270 nan 0.000 0.439 411 Q N 0.156 119.804 119.800 -0.254 0.000 2.445 411 Q HA 0.448 4.787 4.340 -0.001 0.000 0.281 411 Q C -0.236 175.664 176.000 -0.165 0.000 1.101 411 Q CA -0.543 55.088 55.803 -0.287 0.000 0.833 411 Q CB 0.698 29.130 28.738 -0.510 0.000 1.416 411 Q HN 0.179 nan 8.270 nan 0.000 0.451 412 K N -0.254 120.077 120.400 -0.114 0.000 2.383 412 K HA 0.469 4.789 4.320 -0.001 0.000 0.286 412 K C 0.897 177.455 176.600 -0.070 0.000 1.051 412 K CA 0.329 56.576 56.287 -0.068 0.000 0.974 412 K CB -0.737 31.744 32.500 -0.033 0.000 0.968 412 K HN 0.939 nan 8.250 nan 0.000 0.475 413 G N 1.705 110.465 108.800 -0.066 0.000 2.131 413 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.223 413 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.223 413 G C 0.221 175.064 174.900 -0.095 0.000 0.990 413 G CA 0.242 45.302 45.100 -0.067 0.000 0.671 413 G HN 1.224 nan 8.290 nan 0.000 0.521 414 E N -0.806 119.331 120.200 -0.106 0.000 2.202 414 E HA -0.096 4.253 4.350 -0.001 0.000 0.214 414 E C 0.560 177.078 176.600 -0.136 0.000 1.303 414 E CA 1.477 57.806 56.400 -0.118 0.000 0.714 414 E CB -1.407 28.232 29.700 -0.101 0.000 1.130 414 E HN 1.943 nan 8.360 nan 0.000 0.356 415 S N -2.400 113.203 115.700 -0.161 0.000 2.578 415 S HA 0.870 5.339 4.470 -0.001 0.000 0.272 415 S C -0.697 173.766 174.600 -0.227 0.000 1.145 415 S CA -0.687 57.404 58.200 -0.182 0.000 0.835 415 S CB 1.959 65.035 63.200 -0.206 0.000 1.104 415 S HN 0.668 nan 8.310 nan 0.000 0.458 416 A N 0.554 123.231 122.820 -0.239 0.000 2.535 416 A HA 0.913 5.233 4.320 -0.001 0.000 0.296 416 A C -2.235 175.094 177.584 -0.424 0.000 1.248 416 A CA -0.904 51.021 52.037 -0.186 0.000 0.686 416 A CB 0.721 19.883 19.000 0.270 0.000 1.315 416 A HN 0.994 nan 8.150 nan 0.000 0.460 417 Y N -0.521 119.836 120.300 0.095 0.000 2.391 417 Y HA 0.560 5.111 4.550 0.002 0.000 0.341 417 Y C -0.147 175.783 175.900 0.050 0.000 0.965 417 Y CA -0.492 57.642 58.100 0.057 0.000 1.067 417 Y CB 1.760 40.243 38.460 0.039 0.000 1.199 417 Y HN 0.534 nan 8.280 nan 0.000 0.450 418 L N 4.111 125.457 121.223 0.204 0.000 2.367 418 L HA 0.468 4.807 4.340 -0.001 0.000 0.275 418 L C -0.770 176.238 176.870 0.231 0.000 1.129 418 L CA -0.534 54.417 54.840 0.185 0.000 0.839 418 L CB 0.523 42.703 42.059 0.202 0.000 1.133 418 L HN 0.394 nan 8.230 nan 0.000 0.453 419 V N 4.777 124.809 119.914 0.197 0.000 2.483 419 V HA 0.516 4.635 4.120 -0.001 0.000 0.297 419 V C -0.500 175.740 176.094 0.244 0.000 1.027 419 V CA -0.596 61.784 62.300 0.133 0.000 0.855 419 V CB 1.286 33.141 31.823 0.053 0.000 0.995 419 V HN 0.585 nan 8.190 nan 0.000 0.424 420 F N 1.950 121.998 119.950 0.164 0.000 2.664 420 F HA 0.926 5.452 4.527 -0.002 0.000 0.317 420 F C -0.561 175.396 175.800 0.262 0.000 1.108 420 F CA -1.022 57.082 58.000 0.173 0.000 0.957 420 F CB 1.410 40.483 39.000 0.121 0.000 1.365 420 F HN 0.521 nan 8.300 nan 0.000 0.475 421 D N -0.259 120.340 120.400 0.331 0.000 2.595 421 D HA 0.218 4.858 4.640 -0.001 0.000 0.268 421 D C -0.254 176.192 176.300 0.243 0.000 1.181 421 D CA -0.154 53.874 54.000 0.047 0.000 1.085 421 D CB 1.186 41.939 40.800 -0.078 0.000 1.186 421 D HN 0.708 nan 8.370 nan 0.000 0.621 422 D N -1.286 119.135 120.400 0.035 0.000 2.234 422 D HA -0.059 4.580 4.640 -0.001 0.000 0.205 422 D C 1.844 178.206 176.300 0.104 0.000 0.962 422 D CA 1.196 55.291 54.000 0.157 0.000 0.855 422 D CB 0.349 41.171 40.800 0.037 0.000 0.951 422 D HN 0.331 nan 8.370 nan 0.000 0.500 423 S N 0.481 116.220 115.700 0.066 0.000 2.355 423 S HA -0.121 4.348 4.470 -0.001 0.000 0.222 423 S C 2.078 176.727 174.600 0.082 0.000 1.031 423 S CA 0.553 58.790 58.200 0.062 0.000 0.993 423 S CB -0.274 62.958 63.200 0.054 0.000 0.859 423 S HN 0.241 nan 8.310 nan 0.000 0.453 424 I N 2.417 123.067 120.570 0.133 0.000 2.118 424 I HA -0.206 3.963 4.170 -0.001 0.000 0.241 424 I C 2.685 178.834 176.117 0.053 0.000 1.070 424 I CA 1.534 62.898 61.300 0.107 0.000 1.327 424 I CB -1.444 36.649 38.000 0.156 0.000 1.034 424 I HN 0.313 nan 8.210 nan 0.000 0.405 425 R N 2.085 122.685 120.500 0.166 0.000 2.132 425 R HA -0.252 4.088 4.340 -0.001 0.000 0.233 425 R C 2.229 178.517 176.300 -0.020 0.000 1.125 425 R CA 2.899 59.029 56.100 0.049 0.000 0.914 425 R CB -0.280 30.032 30.300 0.020 0.000 0.845 425 R HN 0.429 nan 8.270 nan 0.000 0.431 426 K N 0.409 120.813 120.400 0.008 0.000 2.520 426 K HA -0.065 4.254 4.320 -0.001 0.000 0.197 426 K C 1.559 178.146 176.600 -0.022 0.000 1.043 426 K CA 1.507 57.787 56.287 -0.012 0.000 0.944 426 K CB -0.097 32.404 32.500 0.002 0.000 0.770 426 K HN 0.246 nan 8.250 nan 0.000 0.480 427 S N -0.252 115.434 115.700 -0.023 0.000 2.575 427 S HA 0.147 4.616 4.470 -0.001 0.000 0.215 427 S C 0.188 174.756 174.600 -0.052 0.000 0.966 427 S CA -0.544 57.639 58.200 -0.029 0.000 0.911 427 S CB -0.029 63.162 63.200 -0.015 0.000 0.780 427 S HN 0.286 nan 8.310 nan 0.000 0.514 428 L N 0.805 121.983 121.223 -0.076 0.000 2.573 428 L HA 0.596 4.935 4.340 -0.001 0.000 0.260 428 L C 0.318 177.117 176.870 -0.120 0.000 0.997 428 L CA -0.208 54.575 54.840 -0.095 0.000 0.890 428 L CB 1.329 43.322 42.059 -0.109 0.000 1.179 428 L HN -0.182 nan 8.230 nan 0.000 0.439 429 K N 2.211 122.546 120.400 -0.108 0.000 2.281 429 K HA 0.034 4.353 4.320 -0.001 0.000 0.203 429 K C 1.845 178.335 176.600 -0.183 0.000 1.046 429 K CA 1.454 57.664 56.287 -0.128 0.000 0.938 429 K CB -0.018 32.420 32.500 -0.102 0.000 0.737 429 K HN 0.741 nan 8.250 nan 0.000 0.458 430 A N 0.367 123.073 122.820 -0.190 0.000 2.070 430 A HA -0.123 4.197 4.320 -0.001 0.000 0.220 430 A C 2.003 179.311 177.584 -0.460 0.000 1.159 430 A CA 1.108 52.967 52.037 -0.296 0.000 0.656 430 A CB -0.569 18.304 19.000 -0.211 0.000 0.800 430 A HN 0.251 nan 8.150 nan 0.000 0.453 431 I N -0.639 119.762 120.570 -0.281 0.000 2.286 431 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 431 I C 2.307 178.247 176.117 -0.296 0.000 1.115 431 I CA 1.282 62.464 61.300 -0.195 0.000 1.392 431 I CB -0.193 37.694 38.000 -0.189 0.000 1.065 431 I HN 0.199 nan 8.210 nan 0.000 0.418 432 E N 0.841 120.835 120.200 -0.343 0.000 2.273 432 E HA -0.191 4.159 4.350 -0.001 0.000 0.198 432 E C 2.044 178.169 176.600 -0.793 0.000 1.002 432 E CA 1.208 57.334 56.400 -0.456 0.000 0.828 432 E CB -0.461 29.035 29.700 -0.341 0.000 0.747 432 E HN 0.521 nan 8.360 nan 0.000 0.491 433 G N -1.824 106.579 108.800 -0.660 0.000 2.662 433 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.212 433 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.212 433 G C 0.931 175.649 174.900 -0.303 0.000 1.141 433 G CA 0.057 44.845 45.100 -0.520 0.000 0.797 433 G HN 0.222 nan 8.290 nan 0.000 0.531 434 Y N 0.751 120.983 120.300 -0.114 0.000 2.337 434 Y HA 0.075 4.626 4.550 0.002 0.000 0.293 434 Y C 2.772 178.663 175.900 -0.015 0.000 1.123 434 Y CA -0.178 57.899 58.100 -0.040 0.000 1.201 434 Y CB -0.637 37.798 38.460 -0.040 0.000 1.011 434 Y HN 0.032 nan 8.280 nan 0.000 0.545 435 V N -0.255 119.679 119.914 0.033 0.000 2.358 435 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 435 V C 2.110 178.293 176.094 0.147 0.000 1.047 435 V CA 2.062 64.388 62.300 0.042 0.000 1.035 435 V CB -0.629 31.171 31.823 -0.039 0.000 0.658 435 V HN 0.418 nan 8.190 nan 0.000 0.452 436 H N -0.430 118.648 119.070 0.014 0.000 2.521 436 H HA 0.090 4.646 4.556 -0.001 0.000 0.286 436 H C 1.915 177.263 175.328 0.033 0.000 1.034 436 H CA 0.711 56.761 56.048 0.004 0.000 1.278 436 H CB -0.268 29.478 29.762 -0.026 0.000 1.386 436 H HN 0.332 nan 8.280 nan 0.000 0.567 437 L N -0.040 121.294 121.223 0.186 0.000 2.591 437 L HA 0.016 4.356 4.340 -0.001 0.000 0.228 437 L C 0.269 177.234 176.870 0.159 0.000 1.133 437 L CA -0.027 54.931 54.840 0.196 0.000 0.880 437 L CB -0.180 42.019 42.059 0.234 0.000 1.033 437 L HN 0.201 nan 8.230 nan 0.000 0.450 438 N N 0.749 119.530 118.700 0.134 0.000 2.746 438 N HA -0.214 4.526 4.740 -0.001 0.000 0.250 438 N C 0.343 175.908 175.510 0.092 0.000 1.055 438 N CA 0.744 53.856 53.050 0.104 0.000 0.699 438 N CB -0.876 37.662 38.487 0.084 0.000 0.919 438 N HN 0.575 nan 8.380 nan 0.000 0.548 439 I N -4.941 115.689 120.570 0.101 0.000 4.442 439 I HA 0.304 4.473 4.170 -0.001 0.000 0.331 439 I C -0.362 175.810 176.117 0.091 0.000 1.364 439 I CA -0.422 60.924 61.300 0.077 0.000 1.207 439 I CB 0.542 38.572 38.000 0.049 0.000 1.298 439 I HN -0.119 nan 8.210 nan 0.000 0.463 440 V N 3.898 123.884 119.914 0.119 0.000 2.350 440 V HA 0.383 4.502 4.120 -0.001 0.000 0.276 440 V C 0.139 176.310 176.094 0.130 0.000 1.028 440 V CA -0.595 61.791 62.300 0.143 0.000 0.860 440 V CB 1.083 33.014 31.823 0.181 0.000 0.990 440 V HN 0.149 nan 8.190 nan 0.000 0.453 441 K N 4.429 124.889 120.400 0.099 0.000 2.298 441 K HA 0.330 4.649 4.320 -0.001 0.000 0.280 441 K C 0.021 176.649 176.600 0.047 0.000 1.032 441 K CA -0.040 56.281 56.287 0.057 0.000 0.958 441 K CB 1.395 33.904 32.500 0.014 0.000 0.978 441 K HN 0.884 nan 8.250 nan 0.000 0.472 442 E N 1.570 121.780 120.200 0.016 0.000 2.218 442 E HA 0.470 4.819 4.350 -0.001 0.000 0.263 442 E C -0.925 175.612 176.600 -0.105 0.000 0.879 442 E CA -0.787 55.565 56.400 -0.081 0.000 0.762 442 E CB 1.450 31.164 29.700 0.022 0.000 1.166 442 E HN 0.656 nan 8.360 nan 0.000 0.415 443 G N 2.827 111.537 108.800 -0.150 0.000 2.482 443 G HA2 0.190 4.150 3.960 -0.001 0.000 0.317 443 G HA3 0.190 4.150 3.960 -0.001 0.000 0.317 443 G C 0.247 175.103 174.900 -0.074 0.000 1.241 443 G CA -0.508 44.542 45.100 -0.084 0.000 0.967 443 G HN 0.404 nan 8.290 nan 0.000 0.482 444 K N -0.243 120.136 120.400 -0.036 0.000 2.418 444 K HA 0.109 4.428 4.320 -0.001 0.000 0.195 444 K C 0.869 177.515 176.600 0.077 0.000 1.035 444 K CA 0.672 56.952 56.287 -0.013 0.000 1.003 444 K CB -0.177 32.314 32.500 -0.016 0.000 0.793 444 K HN 0.745 nan 8.250 nan 0.000 0.494 445 T N -3.736 110.868 114.554 0.085 0.000 2.816 445 T HA 0.363 4.712 4.350 -0.001 0.000 0.299 445 T C 1.108 175.743 174.700 -0.108 0.000 1.230 445 T CA -0.776 61.358 62.100 0.057 0.000 1.007 445 T CB 0.671 69.522 68.868 -0.030 0.000 1.289 445 T HN -0.182 nan 8.240 nan 0.000 0.508 446 I N 0.992 121.320 120.570 -0.403 0.000 2.286 446 I HA -0.103 4.067 4.170 -0.001 0.000 0.248 446 I C 2.519 178.488 176.117 -0.247 0.000 1.115 446 I CA 1.463 62.469 61.300 -0.489 0.000 1.392 446 I CB -0.364 37.271 38.000 -0.608 0.000 1.065 446 I HN 0.738 nan 8.210 nan 0.000 0.418 447 E N -0.154 119.938 120.200 -0.180 0.000 2.216 447 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 447 E C 1.840 178.381 176.600 -0.098 0.000 0.988 447 E CA 0.527 56.853 56.400 -0.124 0.000 0.834 447 E CB -0.141 29.500 29.700 -0.098 0.000 0.772 447 E HN 0.502 nan 8.360 nan 0.000 0.479 448 E N 1.069 121.215 120.200 -0.089 0.000 2.216 448 E HA -0.044 4.305 4.350 -0.001 0.000 0.192 448 E C 2.063 178.615 176.600 -0.079 0.000 0.988 448 E CA 0.099 56.458 56.400 -0.068 0.000 0.834 448 E CB 0.155 29.825 29.700 -0.049 0.000 0.772 448 E HN 0.247 nan 8.360 nan 0.000 0.479 449 L N 0.322 121.486 121.223 -0.097 0.000 2.072 449 L HA -0.111 4.229 4.340 -0.001 0.000 0.205 449 L C 2.358 179.147 176.870 -0.134 0.000 1.079 449 L CA 1.222 55.996 54.840 -0.109 0.000 0.752 449 L CB -0.473 41.519 42.059 -0.112 0.000 0.906 449 L HN 0.047 nan 8.230 nan 0.000 0.436 450 A N -0.028 122.709 122.820 -0.138 0.000 1.883 450 A HA -0.269 4.050 4.320 -0.001 0.000 0.217 450 A C 2.292 179.802 177.584 -0.125 0.000 1.186 450 A CA 1.850 53.800 52.037 -0.144 0.000 0.624 450 A CB -0.447 18.480 19.000 -0.122 0.000 0.822 450 A HN 0.348 nan 8.150 nan 0.000 0.444 451 K N -1.002 119.340 120.400 -0.095 0.000 2.063 451 K HA -0.178 4.142 4.320 -0.001 0.000 0.208 451 K C 2.367 178.920 176.600 -0.077 0.000 1.048 451 K CA 1.505 57.748 56.287 -0.075 0.000 0.928 451 K CB -0.156 32.309 32.500 -0.058 0.000 0.713 451 K HN 0.431 nan 8.250 nan 0.000 0.442 452 Q N 0.378 120.128 119.800 -0.084 0.000 2.084 452 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 452 Q C 2.152 178.094 176.000 -0.096 0.000 0.978 452 Q CA 1.335 57.094 55.803 -0.073 0.000 0.844 452 Q CB -0.130 28.571 28.738 -0.062 0.000 0.898 452 Q HN 0.398 nan 8.270 nan 0.000 0.426 453 I N 0.040 120.507 120.570 -0.172 0.000 2.235 453 I HA -0.161 4.009 4.170 -0.001 0.000 0.241 453 I C -0.131 175.871 176.117 -0.192 0.000 1.085 453 I CA 0.826 61.959 61.300 -0.279 0.000 1.378 453 I CB 0.299 37.936 38.000 -0.604 0.000 1.076 453 I HN 0.087 nan 8.210 nan 0.000 0.415 454 D N 0.655 120.956 120.400 -0.166 0.000 2.762 454 D HA -0.042 4.597 4.640 -0.001 0.000 0.157 454 D C -0.825 175.418 176.300 -0.094 0.000 0.993 454 D CA 0.294 54.239 54.000 -0.092 0.000 0.843 454 D CB -0.910 39.868 40.800 -0.036 0.000 0.877 454 D HN 0.177 nan 8.370 nan 0.000 0.435 455 V N -2.583 117.259 119.914 -0.121 0.000 2.876 455 V HA 0.865 4.984 4.120 -0.001 0.000 0.312 455 V C -2.650 173.403 176.094 -0.069 0.000 1.085 455 V CA -2.075 60.172 62.300 -0.089 0.000 0.945 455 V CB 2.345 34.102 31.823 -0.109 0.000 1.017 455 V HN -0.183 nan 8.190 nan 0.000 0.428 456 P HA 0.235 nan 4.420 nan 0.000 0.261 456 P C 0.790 178.060 177.300 -0.050 0.000 1.203 456 P CA 0.686 63.765 63.100 -0.036 0.000 0.767 456 P CB 1.014 32.704 31.700 -0.018 0.000 0.785 457 A N 4.775 127.561 122.820 -0.057 0.000 1.972 457 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 457 A C 2.092 179.636 177.584 -0.067 0.000 1.169 457 A CA 2.021 54.015 52.037 -0.071 0.000 0.635 457 A CB -1.215 17.744 19.000 -0.068 0.000 0.810 457 A HN 0.514 nan 8.150 nan 0.000 0.446 458 A N -0.731 122.060 122.820 -0.049 0.000 1.897 458 A HA -0.057 4.262 4.320 -0.001 0.000 0.215 458 A C 1.997 179.558 177.584 -0.037 0.000 1.181 458 A CA 1.928 53.940 52.037 -0.041 0.000 0.620 458 A CB -0.370 18.613 19.000 -0.029 0.000 0.821 458 A HN 0.442 nan 8.150 nan 0.000 0.443 459 E N -0.211 119.973 120.200 -0.027 0.000 2.051 459 E HA -0.013 4.337 4.350 -0.001 0.000 0.189 459 E C 1.934 178.522 176.600 -0.020 0.000 0.979 459 E CA 0.553 56.945 56.400 -0.012 0.000 0.803 459 E CB -0.318 29.383 29.700 0.002 0.000 0.761 459 E HN 0.520 nan 8.360 nan 0.000 0.451 460 L N -0.091 121.108 121.223 -0.041 0.000 1.989 460 L HA -0.258 4.082 4.340 -0.001 0.000 0.211 460 L C 2.247 179.068 176.870 -0.082 0.000 1.071 460 L CA 1.622 56.427 54.840 -0.059 0.000 0.749 460 L CB -0.513 41.490 42.059 -0.094 0.000 0.890 460 L HN 0.234 nan 8.230 nan 0.000 0.431 461 A N -0.486 122.272 122.820 -0.103 0.000 1.917 461 A HA -0.311 4.008 4.320 -0.001 0.000 0.219 461 A C 2.326 179.859 177.584 -0.084 0.000 1.182 461 A CA 2.244 54.209 52.037 -0.120 0.000 0.633 461 A CB -0.521 18.411 19.000 -0.113 0.000 0.819 461 A HN 0.414 nan 8.150 nan 0.000 0.448 462 K N -1.026 119.340 120.400 -0.056 0.000 2.057 462 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 462 K C 2.323 178.903 176.600 -0.032 0.000 1.050 462 K CA 1.818 58.082 56.287 -0.039 0.000 0.935 462 K CB -0.261 32.228 32.500 -0.019 0.000 0.715 462 K HN 0.670 nan 8.250 nan 0.000 0.439 463 T N -1.660 112.886 114.554 -0.013 0.000 2.951 463 T HA -0.045 4.305 4.350 -0.001 0.000 0.268 463 T C 1.831 176.534 174.700 0.006 0.000 1.073 463 T CA 1.062 63.172 62.100 0.017 0.000 1.134 463 T CB -0.157 68.747 68.868 0.060 0.000 0.884 463 T HN -0.030 nan 8.240 nan 0.000 0.479 464 V N 2.533 122.430 119.914 -0.029 0.000 2.548 464 V HA -0.063 4.056 4.120 -0.001 0.000 0.249 464 V C 3.170 179.248 176.094 -0.026 0.000 1.055 464 V CA 2.007 64.295 62.300 -0.020 0.000 1.065 464 V CB -1.048 30.716 31.823 -0.098 0.000 0.681 464 V HN 0.841 nan 8.190 nan 0.000 0.462 465 T N -1.658 112.855 114.554 -0.068 0.000 3.043 465 T HA 0.098 4.448 4.350 -0.001 0.000 0.263 465 T C 1.813 176.422 174.700 -0.152 0.000 1.094 465 T CA 1.139 63.188 62.100 -0.084 0.000 1.127 465 T CB 0.045 68.868 68.868 -0.076 0.000 0.905 465 T HN 0.391 nan 8.240 nan 0.000 0.490 466 A N 0.652 123.360 122.820 -0.188 0.000 1.841 466 A HA 0.059 4.379 4.320 -0.001 0.000 0.214 466 A C 2.125 179.249 177.584 -0.766 0.000 1.195 466 A CA 1.373 53.178 52.037 -0.387 0.000 0.611 466 A CB -1.439 17.428 19.000 -0.222 0.000 0.835 466 A HN 0.593 nan 8.150 nan 0.000 0.443 467 Y N 1.538 121.522 120.300 -0.528 0.000 2.256 467 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 467 Y C 2.096 177.844 175.900 -0.254 0.000 1.155 467 Y CA 2.135 60.000 58.100 -0.392 0.000 1.203 467 Y CB -0.456 37.974 38.460 -0.050 0.000 0.980 467 Y HN 0.493 nan 8.280 nan 0.000 0.530 468 N N -0.751 117.855 118.700 -0.157 0.000 2.188 468 N HA -0.133 4.607 4.740 -0.001 0.000 0.184 468 N C 2.063 177.460 175.510 -0.189 0.000 1.018 468 N CA 0.686 53.663 53.050 -0.122 0.000 0.858 468 N CB -0.491 37.984 38.487 -0.018 0.000 0.989 468 N HN 0.448 nan 8.380 nan 0.000 0.426 469 G N 1.028 109.678 108.800 -0.252 0.000 2.422 469 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.218 469 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.218 469 G C 1.003 175.855 174.900 -0.079 0.000 1.146 469 G CA 0.495 45.496 45.100 -0.164 0.000 0.769 469 G HN 0.167 nan 8.290 nan 0.000 0.547 470 F N 1.003 120.851 119.950 -0.170 0.000 2.134 470 F HA -0.041 4.484 4.527 -0.002 0.000 0.299 470 F C 2.835 178.493 175.800 -0.237 0.000 1.097 470 F CA 0.061 57.937 58.000 -0.206 0.000 1.264 470 F CB -1.255 37.592 39.000 -0.255 0.000 1.001 470 F HN -0.013 nan 8.300 nan 0.000 0.479 471 V N 0.389 120.191 119.914 -0.187 0.000 2.407 471 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 471 V C 2.658 178.724 176.094 -0.048 0.000 1.055 471 V CA 2.581 64.798 62.300 -0.137 0.000 1.049 471 V CB -1.545 30.186 31.823 -0.154 0.000 0.662 471 V HN 0.450 nan 8.190 nan 0.000 0.455 472 K N 0.560 120.937 120.400 -0.037 0.000 2.103 472 K HA -0.146 4.174 4.320 -0.001 0.000 0.204 472 K C 2.278 178.878 176.600 0.001 0.000 1.052 472 K CA 1.669 57.948 56.287 -0.013 0.000 0.945 472 K CB -0.955 31.537 32.500 -0.012 0.000 0.722 472 K HN 0.739 nan 8.250 nan 0.000 0.443 473 S N -1.719 113.990 115.700 0.015 0.000 2.461 473 S HA 0.297 4.766 4.470 -0.001 0.000 0.228 473 S C 1.888 176.497 174.600 0.014 0.000 1.005 473 S CA 0.960 59.174 58.200 0.023 0.000 0.942 473 S CB -0.089 63.140 63.200 0.048 0.000 0.776 473 S HN 1.658 nan 8.310 nan 0.000 0.514 474 G N -0.036 108.771 108.800 0.012 0.000 2.132 474 G HA2 0.087 4.046 3.960 -0.001 0.000 0.234 474 G HA3 0.087 4.046 3.960 -0.001 0.000 0.234 474 G C -0.009 174.885 174.900 -0.010 0.000 0.989 474 G CA 0.276 45.377 45.100 0.001 0.000 0.676 474 G HN 1.238 nan 8.290 nan 0.000 0.522 475 K N 0.236 120.628 120.400 -0.013 0.000 2.601 475 K HA 0.661 4.980 4.320 -0.001 0.000 0.249 475 K C -0.732 175.761 176.600 -0.179 0.000 0.966 475 K CA -0.046 56.197 56.287 -0.074 0.000 0.827 475 K CB 1.467 33.929 32.500 -0.063 0.000 1.178 475 K HN 0.552 nan 8.250 nan 0.000 0.437 476 D N 2.111 122.331 120.400 -0.300 0.000 2.339 476 D HA 0.438 5.077 4.640 -0.001 0.000 0.241 476 D C 1.057 176.778 176.300 -0.965 0.000 1.183 476 D CA 0.214 53.768 54.000 -0.743 0.000 0.859 476 D CB 1.452 42.117 40.800 -0.224 0.000 1.067 476 D HN 0.527 nan 8.370 nan 0.000 0.484 477 A N 3.863 125.707 122.820 -1.627 0.000 2.123 477 A HA -0.057 4.263 4.320 -0.001 0.000 0.214 477 A C 1.849 179.081 177.584 -0.587 0.000 1.152 477 A CA 0.777 52.367 52.037 -0.745 0.000 0.728 477 A CB -0.127 18.628 19.000 -0.410 0.000 0.814 477 A HN 0.675 nan 8.150 nan 0.000 0.464 478 Q N -1.127 118.261 119.800 -0.687 0.000 1.911 478 Q HA 0.150 4.490 4.340 -0.001 0.000 0.202 478 Q C -0.219 175.301 176.000 -0.801 0.000 0.976 478 Q CA 0.769 56.237 55.803 -0.558 0.000 0.845 478 Q CB -0.040 28.551 28.738 -0.244 0.000 0.903 478 Q HN 0.595 nan 8.270 nan 0.000 0.437 479 F N 0.183 120.091 119.950 -0.069 0.000 2.461 479 F HA 0.148 4.674 4.527 -0.001 0.000 0.337 479 F C 0.798 176.557 175.800 -0.068 0.000 1.079 479 F CA -0.745 57.235 58.000 -0.034 0.000 1.032 479 F CB 0.675 39.677 39.000 0.005 0.000 1.327 479 F HN 0.025 nan 8.300 nan 0.000 0.491 480 E N -0.920 119.356 120.200 0.126 0.000 2.465 480 E HA 0.080 4.430 4.350 -0.001 0.000 0.191 480 E C 0.078 176.699 176.600 0.035 0.000 1.053 480 E CA -0.305 56.110 56.400 0.025 0.000 0.869 480 E CB -0.266 29.450 29.700 0.027 0.000 0.977 480 E HN 0.270 nan 8.360 nan 0.000 0.483 481 R N 3.088 123.638 120.500 0.082 0.000 3.209 481 R HA -0.087 4.253 4.340 -0.001 0.000 0.307 481 R C -1.254 175.080 176.300 0.056 0.000 0.723 481 R CA -0.304 55.849 56.100 0.088 0.000 1.087 481 R CB 0.440 30.839 30.300 0.165 0.000 0.904 481 R HN 0.094 nan 8.270 nan 0.000 0.383 482 P HA -0.059 nan 4.420 nan 0.000 0.222 482 P C -0.311 177.009 177.300 0.034 0.000 1.153 482 P CA 0.899 64.015 63.100 0.026 0.000 0.798 482 P CB 0.243 31.955 31.700 0.019 0.000 0.796 483 D N -0.125 120.305 120.400 0.050 0.000 2.408 483 D HA 0.412 5.052 4.640 -0.001 0.000 0.243 483 D C -0.850 175.500 176.300 0.084 0.000 1.075 483 D CA -0.482 53.550 54.000 0.053 0.000 0.832 483 D CB 0.600 41.428 40.800 0.047 0.000 1.162 483 D HN -0.162 nan 8.370 nan 0.000 0.515 484 L N 6.572 127.839 121.223 0.073 0.000 2.445 484 L HA 0.373 4.713 4.340 -0.001 0.000 0.252 484 L C -1.448 175.474 176.870 0.085 0.000 1.105 484 L CA -1.100 53.800 54.840 0.100 0.000 0.943 484 L CB 1.554 43.628 42.059 0.024 0.000 1.277 484 L HN 0.433 nan 8.230 nan 0.000 0.465 485 P HA -0.032 nan 4.420 nan 0.000 0.217 485 P C 0.181 177.530 177.300 0.082 0.000 1.154 485 P CA 0.816 63.962 63.100 0.078 0.000 0.841 485 P CB 0.495 32.236 31.700 0.069 0.000 0.788 486 R N -0.582 119.990 120.500 0.120 0.000 2.574 486 R HA 0.225 4.564 4.340 -0.001 0.000 0.288 486 R C 0.697 177.095 176.300 0.163 0.000 1.004 486 R CA -0.477 55.695 56.100 0.119 0.000 0.895 486 R CB 1.618 31.986 30.300 0.113 0.000 1.191 486 R HN -0.132 nan 8.270 nan 0.000 0.444 487 E N 1.817 122.090 120.200 0.122 0.000 2.273 487 E HA -0.174 4.175 4.350 -0.001 0.000 0.198 487 E C 0.050 176.762 176.600 0.187 0.000 1.002 487 E CA 0.944 57.421 56.400 0.129 0.000 0.828 487 E CB -0.030 29.719 29.700 0.081 0.000 0.747 487 E HN 0.446 nan 8.360 nan 0.000 0.491 488 L N -0.418 120.929 121.223 0.206 0.000 3.548 488 L HA -0.227 4.113 4.340 -0.001 0.000 0.443 488 L C 0.213 177.289 176.870 0.343 0.000 1.286 488 L CA -0.235 54.767 54.840 0.270 0.000 0.863 488 L CB -0.629 41.601 42.059 0.286 0.000 1.734 488 L HN 0.105 nan 8.230 nan 0.000 0.873 489 V N -0.599 119.470 119.914 0.259 0.000 3.411 489 V HA 0.205 4.324 4.120 -0.001 0.000 0.287 489 V C 0.532 176.744 176.094 0.198 0.000 1.543 489 V CA 0.585 63.059 62.300 0.289 0.000 1.028 489 V CB 1.481 33.401 31.823 0.162 0.000 0.840 489 V HN 0.109 nan 8.190 nan 0.000 0.435 490 V N 2.735 122.651 119.914 0.004 0.000 2.353 490 V HA 0.596 4.715 4.120 -0.001 0.000 0.264 490 V C 0.749 176.599 176.094 -0.408 0.000 1.049 490 V CA -0.272 61.962 62.300 -0.111 0.000 0.896 490 V CB 0.688 32.475 31.823 -0.060 0.000 1.025 490 V HN 0.381 nan 8.190 nan 0.000 0.475 491 A N 9.257 131.843 122.820 -0.390 0.000 2.545 491 A HA 0.480 4.799 4.320 -0.001 0.000 0.253 491 A C -1.811 175.580 177.584 -0.321 0.000 1.074 491 A CA -0.434 51.318 52.037 -0.475 0.000 0.760 491 A CB -0.239 18.729 19.000 -0.053 0.000 1.005 491 A HN 0.647 nan 8.150 nan 0.000 0.506 492 P HA 0.649 nan 4.420 nan 0.000 0.287 492 P C -1.017 175.681 177.300 -1.002 0.000 1.292 492 P CA -0.569 62.228 63.100 -0.505 0.000 0.879 492 P CB 0.948 32.437 31.700 -0.352 0.000 1.214 493 F N -0.306 119.277 119.950 -0.611 0.000 2.469 493 F HA 0.452 4.978 4.527 -0.001 0.000 0.332 493 F C 0.122 175.383 175.800 -0.899 0.000 1.103 493 F CA -0.194 57.443 58.000 -0.606 0.000 0.979 493 F CB 1.370 40.184 39.000 -0.310 0.000 1.137 493 F HN 0.186 nan 8.300 nan 0.000 0.463 494 Y N 1.192 121.290 120.300 -0.337 0.000 2.549 494 Y HA 0.806 5.355 4.550 -0.002 0.000 0.339 494 Y C -0.131 175.474 175.900 -0.491 0.000 1.053 494 Y CA -1.292 56.485 58.100 -0.539 0.000 1.105 494 Y CB 1.926 39.733 38.460 -1.089 0.000 1.258 494 Y HN 0.631 nan 8.280 nan 0.000 0.478 495 A N 2.020 124.779 122.820 -0.102 0.000 2.549 495 A HA 0.881 5.201 4.320 -0.001 0.000 0.297 495 A C -2.076 175.584 177.584 0.126 0.000 1.061 495 A CA -0.630 51.411 52.037 0.007 0.000 0.690 495 A CB 1.356 20.342 19.000 -0.024 0.000 1.287 495 A HN 0.682 nan 8.150 nan 0.000 0.402 496 L N 0.850 122.199 121.223 0.211 0.000 2.464 496 L HA 0.432 4.772 4.340 -0.001 0.000 0.266 496 L C -0.156 176.828 176.870 0.190 0.000 0.965 496 L CA -0.178 54.773 54.840 0.184 0.000 0.833 496 L CB 2.296 44.427 42.059 0.120 0.000 1.296 496 L HN 0.883 nan 8.230 nan 0.000 0.405 497 E N 3.492 123.781 120.200 0.148 0.000 2.217 497 E HA 0.402 4.752 4.350 -0.001 0.000 0.279 497 E C -0.952 175.580 176.600 -0.113 0.000 1.068 497 E CA -0.417 55.936 56.400 -0.078 0.000 0.882 497 E CB 0.661 30.317 29.700 -0.072 0.000 1.039 497 E HN 0.419 nan 8.360 nan 0.000 0.418 498 I N 1.589 122.075 120.570 -0.140 0.000 2.910 498 I HA 0.900 5.070 4.170 -0.001 0.000 0.310 498 I C -0.703 175.370 176.117 -0.074 0.000 1.043 498 I CA -0.915 60.331 61.300 -0.089 0.000 1.053 498 I CB 2.261 40.233 38.000 -0.048 0.000 1.242 498 I HN 0.425 nan 8.210 nan 0.000 0.452 499 A N 2.376 125.195 122.820 -0.002 0.000 2.594 499 A HA 0.795 5.114 4.320 -0.001 0.000 0.296 499 A C -3.110 174.503 177.584 0.047 0.000 1.056 499 A CA -1.297 50.734 52.037 -0.011 0.000 0.693 499 A CB 0.683 19.641 19.000 -0.070 0.000 1.278 499 A HN 0.536 nan 8.150 nan 0.000 0.408 500 P HA 0.427 nan 4.420 nan 0.000 0.268 500 P C -0.239 177.086 177.300 0.042 0.000 1.208 500 P CA 0.441 63.602 63.100 0.103 0.000 0.777 500 P CB 0.849 32.677 31.700 0.214 0.000 0.875 501 A N 1.634 124.511 122.820 0.095 0.000 2.587 501 A HA 0.544 4.863 4.320 -0.001 0.000 0.293 501 A C -1.002 176.653 177.584 0.118 0.000 1.087 501 A CA -0.664 51.352 52.037 -0.036 0.000 0.692 501 A CB 0.986 19.673 19.000 -0.521 0.000 1.291 501 A HN 0.262 nan 8.150 nan 0.000 0.407 502 V N 1.465 121.435 119.914 0.094 0.000 2.555 502 V HA 0.249 4.368 4.120 -0.001 0.000 0.286 502 V C 0.867 177.026 176.094 0.108 0.000 1.044 502 V CA 0.948 63.291 62.300 0.072 0.000 1.026 502 V CB 0.804 32.633 31.823 0.010 0.000 0.981 502 V HN 1.167 nan 8.190 nan 0.000 0.480 503 H N 2.591 121.669 119.070 0.015 0.000 2.176 503 H HA 0.316 4.872 4.556 -0.001 0.000 0.228 503 H C 0.183 175.558 175.328 0.078 0.000 0.879 503 H CA 0.655 56.740 56.048 0.062 0.000 1.027 503 H CB 0.651 30.498 29.762 0.141 0.000 1.356 503 H HN 0.773 nan 8.280 nan 0.000 0.425 504 H N -0.190 118.842 119.070 -0.063 0.000 2.954 504 H HA 0.402 4.957 4.556 -0.002 0.000 0.361 504 H C -1.254 173.959 175.328 -0.192 0.000 1.122 504 H CA -0.304 55.634 56.048 -0.183 0.000 1.217 504 H CB 1.414 31.114 29.762 -0.103 0.000 1.776 504 H HN 0.242 nan 8.280 nan 0.000 0.533 505 T N 3.524 117.689 114.554 -0.648 0.000 2.762 505 T HA 0.185 4.535 4.350 -0.001 0.000 0.303 505 T C 1.172 175.655 174.700 -0.361 0.000 0.977 505 T CA -0.791 60.977 62.100 -0.553 0.000 0.961 505 T CB 0.571 68.863 68.868 -0.961 0.000 0.944 505 T HN 0.602 nan 8.240 nan 0.000 0.481 506 M N 2.823 122.389 119.600 -0.056 0.000 2.202 506 M HA 0.133 4.612 4.480 -0.001 0.000 0.262 506 M C 1.746 178.083 176.300 0.060 0.000 1.063 506 M CA 1.149 56.507 55.300 0.096 0.000 1.097 506 M CB -0.540 32.154 32.600 0.156 0.000 1.382 506 M HN 0.845 nan 8.290 nan 0.000 0.413 507 G N -1.057 107.759 108.800 0.027 0.000 2.621 507 G HA2 0.540 4.500 3.960 -0.001 0.000 0.271 507 G HA3 0.540 4.500 3.960 -0.001 0.000 0.271 507 G C 0.089 175.012 174.900 0.038 0.000 1.236 507 G CA -0.078 45.049 45.100 0.045 0.000 0.958 507 G HN 0.570 nan 8.290 nan 0.000 0.512 508 G N -1.932 106.894 108.800 0.043 0.000 2.345 508 G HA2 0.286 4.246 3.960 -0.001 0.000 0.285 508 G HA3 0.286 4.246 3.960 -0.001 0.000 0.285 508 G C -0.542 174.369 174.900 0.019 0.000 1.297 508 G CA -0.936 44.190 45.100 0.043 0.000 0.875 508 G HN 0.698 nan 8.290 nan 0.000 0.506 509 L N 0.040 121.270 121.223 0.012 0.000 2.516 509 L HA 0.246 4.585 4.340 -0.001 0.000 0.288 509 L C 0.592 177.450 176.870 -0.019 0.000 1.246 509 L CA -0.034 54.805 54.840 -0.002 0.000 0.844 509 L CB 0.334 42.392 42.059 -0.000 0.000 1.106 509 L HN 0.303 nan 8.230 nan 0.000 0.509 510 V N 3.827 123.726 119.914 -0.026 0.000 2.427 510 V HA 0.434 4.554 4.120 -0.001 0.000 0.286 510 V C 0.253 176.320 176.094 -0.045 0.000 1.034 510 V CA -0.275 62.004 62.300 -0.035 0.000 0.893 510 V CB 1.494 33.300 31.823 -0.028 0.000 0.982 510 V HN 0.626 nan 8.190 nan 0.000 0.452 511 I N 1.556 122.094 120.570 -0.053 0.000 3.457 511 I HA 0.919 5.088 4.170 -0.001 0.000 0.307 511 I C -1.011 175.088 176.117 -0.030 0.000 1.138 511 I CA -0.899 60.375 61.300 -0.043 0.000 0.974 511 I CB 2.422 40.399 38.000 -0.038 0.000 1.324 511 I HN 0.586 nan 8.210 nan 0.000 0.485 512 D N -1.256 119.146 120.400 0.003 0.000 2.585 512 D HA 0.226 4.866 4.640 -0.001 0.000 0.254 512 D C 0.638 176.994 176.300 0.093 0.000 1.067 512 D CA -0.109 53.906 54.000 0.026 0.000 1.090 512 D CB 0.782 41.589 40.800 0.012 0.000 1.408 512 D HN 0.749 nan 8.370 nan 0.000 0.554 513 T N -2.935 111.686 114.554 0.112 0.000 3.118 513 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 513 T C 0.951 175.731 174.700 0.134 0.000 1.166 513 T CA 0.864 63.065 62.100 0.168 0.000 1.073 513 T CB -0.387 68.533 68.868 0.087 0.000 0.884 513 T HN 0.427 nan 8.240 nan 0.000 0.550 514 K N -0.035 120.444 120.400 0.131 0.000 2.413 514 K HA 0.594 4.914 4.320 -0.001 0.000 0.204 514 K C 1.091 177.827 176.600 0.227 0.000 1.041 514 K CA 0.298 56.668 56.287 0.138 0.000 1.082 514 K CB 0.380 32.962 32.500 0.136 0.000 0.871 514 K HN 0.304 nan 8.250 nan 0.000 0.535 515 A N 1.297 124.255 122.820 0.229 0.000 2.899 515 A HA -0.223 4.096 4.320 -0.001 0.000 0.257 515 A C -0.155 177.541 177.584 0.186 0.000 1.335 515 A CA 1.014 53.202 52.037 0.251 0.000 0.924 515 A CB -1.847 17.323 19.000 0.284 0.000 1.105 515 A HN 0.475 nan 8.150 nan 0.000 0.765 516 E N -0.067 120.148 120.200 0.025 0.000 2.344 516 E HA 0.381 4.731 4.350 -0.001 0.000 0.270 516 E C 0.001 176.477 176.600 -0.207 0.000 1.021 516 E CA -0.047 56.184 56.400 -0.280 0.000 0.887 516 E CB 0.863 30.425 29.700 -0.230 0.000 0.997 516 E HN 0.382 nan 8.360 nan 0.000 0.429 517 V N 5.722 125.481 119.914 -0.258 0.000 2.432 517 V HA 0.106 4.226 4.120 -0.001 0.000 0.271 517 V C 0.370 176.382 176.094 -0.137 0.000 1.046 517 V CA -0.524 61.690 62.300 -0.144 0.000 0.945 517 V CB 0.730 32.489 31.823 -0.107 0.000 0.992 517 V HN 0.517 nan 8.190 nan 0.000 0.471 518 K N 3.040 123.385 120.400 -0.091 0.000 2.185 518 K HA 0.576 4.895 4.320 -0.001 0.000 0.271 518 K C 0.480 177.045 176.600 -0.058 0.000 1.013 518 K CA -0.027 56.216 56.287 -0.073 0.000 0.943 518 K CB 1.260 33.729 32.500 -0.052 0.000 0.998 518 K HN 0.842 nan 8.250 nan 0.000 0.468 519 S N 0.850 116.520 115.700 -0.051 0.000 2.584 519 S HA 0.055 4.525 4.470 -0.001 0.000 0.273 519 S C 1.156 175.740 174.600 -0.027 0.000 1.311 519 S CA -0.328 57.849 58.200 -0.038 0.000 1.034 519 S CB 0.546 63.724 63.200 -0.036 0.000 0.939 519 S HN 0.618 nan 8.310 nan 0.000 0.513 520 E N 1.524 121.711 120.200 -0.022 0.000 2.112 520 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 520 E C 1.503 178.094 176.600 -0.014 0.000 0.979 520 E CA 1.157 57.547 56.400 -0.016 0.000 0.814 520 E CB -0.042 29.651 29.700 -0.013 0.000 0.762 520 E HN 0.727 nan 8.360 nan 0.000 0.460 521 K N -0.259 120.131 120.400 -0.015 0.000 1.985 521 K HA -0.109 4.211 4.320 -0.001 0.000 0.210 521 K C 2.435 179.027 176.600 -0.013 0.000 1.047 521 K CA 2.149 58.428 56.287 -0.013 0.000 0.932 521 K CB -0.167 32.326 32.500 -0.012 0.000 0.716 521 K HN 0.331 nan 8.250 nan 0.000 0.439 522 T N -4.177 110.368 114.554 -0.016 0.000 3.033 522 T HA 0.190 4.539 4.350 -0.001 0.000 0.248 522 T C 1.532 176.222 174.700 -0.016 0.000 1.040 522 T CA 0.830 62.921 62.100 -0.015 0.000 1.133 522 T CB 0.614 69.473 68.868 -0.016 0.000 0.895 522 T HN 0.368 nan 8.240 nan 0.000 0.465 523 G N 0.742 109.530 108.800 -0.021 0.000 2.195 523 G HA2 0.112 4.072 3.960 -0.001 0.000 0.224 523 G HA3 0.112 4.072 3.960 -0.001 0.000 0.224 523 G C 0.200 175.084 174.900 -0.026 0.000 0.990 523 G CA 0.415 45.502 45.100 -0.021 0.000 0.639 523 G HN 1.035 nan 8.290 nan 0.000 0.514 524 K N 0.663 121.045 120.400 -0.029 0.000 2.123 524 K HA 0.871 5.191 4.320 -0.001 0.000 0.259 524 K C -2.384 174.183 176.600 -0.056 0.000 0.960 524 K CA -1.432 54.834 56.287 -0.035 0.000 0.872 524 K CB 0.559 33.045 32.500 -0.025 0.000 1.079 524 K HN 0.121 nan 8.250 nan 0.000 0.440 525 P HA 0.046 nan 4.420 nan 0.000 0.266 525 P C -0.103 177.120 177.300 -0.127 0.000 1.193 525 P CA -0.176 62.848 63.100 -0.127 0.000 0.770 525 P CB 0.205 31.804 31.700 -0.169 0.000 0.836 526 I N 1.323 121.799 120.570 -0.158 0.000 2.352 526 I HA 0.210 4.380 4.170 -0.001 0.000 0.290 526 I C 0.168 176.152 176.117 -0.221 0.000 1.036 526 I CA -0.155 61.060 61.300 -0.142 0.000 1.336 526 I CB 0.412 38.350 38.000 -0.104 0.000 1.407 526 I HN 0.286 nan 8.210 nan 0.000 0.497 527 T N 3.358 117.817 114.554 -0.159 0.000 2.867 527 T HA 0.412 4.762 4.350 -0.001 0.000 0.297 527 T C 1.182 175.679 174.700 -0.338 0.000 0.989 527 T CA 0.047 62.019 62.100 -0.213 0.000 1.159 527 T CB 0.798 69.678 68.868 0.019 0.000 0.928 527 T HN 1.583 nan 8.240 nan 0.000 0.538 528 G N 2.211 110.535 108.800 -0.794 0.000 2.179 528 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.260 528 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.260 528 G C -0.114 174.664 174.900 -0.202 0.000 0.977 528 G CA 0.120 44.862 45.100 -0.597 0.000 0.641 528 G HN 0.888 nan 8.290 nan 0.000 0.533 529 L N 0.497 121.542 121.223 -0.297 0.000 2.305 529 L HA 0.769 5.109 4.340 -0.001 0.000 0.284 529 L C -0.335 176.376 176.870 -0.265 0.000 1.013 529 L CA -1.126 53.622 54.840 -0.154 0.000 0.819 529 L CB 0.847 42.824 42.059 -0.138 0.000 1.227 529 L HN 0.128 nan 8.230 nan 0.000 0.417 530 Y N 2.928 123.187 120.300 -0.069 0.000 2.669 530 Y HA 0.867 5.417 4.550 -0.001 0.000 0.335 530 Y C -0.034 175.862 175.900 -0.007 0.000 1.116 530 Y CA -0.806 57.270 58.100 -0.041 0.000 1.081 530 Y CB 2.116 40.554 38.460 -0.036 0.000 1.297 530 Y HN 0.557 nan 8.280 nan 0.000 0.484 531 A N 0.301 123.230 122.820 0.182 0.000 2.597 531 A HA 0.926 5.246 4.320 -0.001 0.000 0.292 531 A C -1.927 175.728 177.584 0.118 0.000 1.057 531 A CA -0.142 51.965 52.037 0.116 0.000 0.674 531 A CB 1.002 20.040 19.000 0.063 0.000 1.278 531 A HN 1.518 nan 8.150 nan 0.000 0.416 532 A N -0.243 122.640 122.820 0.106 0.000 2.604 532 A HA 1.091 5.411 4.320 -0.001 0.000 0.295 532 A C 0.442 178.089 177.584 0.104 0.000 1.067 532 A CA 0.456 52.567 52.037 0.123 0.000 0.683 532 A CB 0.620 19.727 19.000 0.178 0.000 1.281 532 A HN 3.070 nan 8.150 nan 0.000 0.407 533 G N 0.342 109.204 108.800 0.104 0.000 2.698 533 G HA2 0.061 4.021 3.960 -0.001 0.000 0.225 533 G HA3 0.061 4.021 3.960 -0.001 0.000 0.225 533 G C 0.595 175.548 174.900 0.088 0.000 1.345 533 G CA 0.938 46.107 45.100 0.115 0.000 0.871 533 G HN 2.106 nan 8.290 nan 0.000 0.540 534 E N -0.961 119.298 120.200 0.098 0.000 2.393 534 E HA -0.091 4.259 4.350 -0.001 0.000 0.201 534 E C 2.190 178.775 176.600 -0.025 0.000 1.025 534 E CA 2.022 58.426 56.400 0.008 0.000 0.856 534 E CB -0.044 29.593 29.700 -0.106 0.000 0.771 534 E HN 1.153 nan 8.360 nan 0.000 0.526 535 V N 1.065 120.991 119.914 0.020 0.000 2.809 535 V HA -0.076 4.044 4.120 -0.001 0.000 0.256 535 V C 1.106 177.217 176.094 0.028 0.000 1.080 535 V CA 1.539 63.862 62.300 0.037 0.000 1.102 535 V CB -0.442 31.416 31.823 0.059 0.000 0.705 535 V HN 0.566 nan 8.190 nan 0.000 0.475 536 T N -1.675 112.886 114.554 0.011 0.000 2.881 536 T HA 0.691 5.040 4.350 -0.001 0.000 0.278 536 T C 0.174 174.863 174.700 -0.017 0.000 0.982 536 T CA 0.011 62.102 62.100 -0.015 0.000 0.989 536 T CB 1.579 70.412 68.868 -0.059 0.000 1.058 536 T HN 0.452 nan 8.240 nan 0.000 0.529 537 G N -2.066 106.714 108.800 -0.032 0.000 3.042 537 G HA2 0.615 4.574 3.960 -0.001 0.000 0.278 537 G HA3 0.615 4.574 3.960 -0.001 0.000 0.278 537 G C 0.629 175.486 174.900 -0.073 0.000 1.371 537 G CA -0.475 44.613 45.100 -0.020 0.000 1.009 537 G HN 1.788 nan 8.290 nan 0.000 0.523 538 G N -2.158 106.603 108.800 -0.065 0.000 2.284 538 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.230 538 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.230 538 G C 1.342 176.147 174.900 -0.159 0.000 1.021 538 G CA 0.999 46.043 45.100 -0.093 0.000 0.619 538 G HN 1.309 nan 8.290 nan 0.000 0.510 539 V N 1.019 120.771 119.914 -0.270 0.000 2.379 539 V HA -0.005 4.114 4.120 -0.001 0.000 0.245 539 V C 2.119 177.925 176.094 -0.481 0.000 1.044 539 V CA 2.233 64.257 62.300 -0.460 0.000 1.036 539 V CB -0.489 30.930 31.823 -0.673 0.000 0.664 539 V HN 0.562 nan 8.190 nan 0.000 0.453 540 H N -0.420 118.629 119.070 -0.034 0.000 2.575 540 H HA 0.351 4.907 4.556 -0.000 0.000 0.267 540 H C 1.650 176.940 175.328 -0.064 0.000 0.966 540 H CA 0.694 56.724 56.048 -0.030 0.000 1.165 540 H CB 0.254 30.024 29.762 0.013 0.000 1.433 540 H HN 0.476 nan 8.280 nan 0.000 0.544 541 G N 1.185 109.975 108.800 -0.018 0.000 2.561 541 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.289 541 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.289 541 G C 0.893 175.666 174.900 -0.211 0.000 1.169 541 G CA 1.028 46.066 45.100 -0.104 0.000 0.980 541 G HN 0.582 nan 8.290 nan 0.000 0.550 542 A N 0.037 122.636 122.820 -0.369 0.000 2.538 542 A HA 0.648 4.967 4.320 -0.001 0.000 0.269 542 A C 0.411 177.840 177.584 -0.257 0.000 1.231 542 A CA 1.357 52.995 52.037 -0.663 0.000 0.948 542 A CB 0.004 18.188 19.000 -1.361 0.000 1.110 542 A HN 1.682 nan 8.150 nan 0.000 0.529 543 N N -0.350 118.278 118.700 -0.119 0.000 2.697 543 N HA 0.173 4.912 4.740 -0.001 0.000 0.271 543 N C -1.024 174.464 175.510 -0.037 0.000 1.149 543 N CA -0.348 52.668 53.050 -0.057 0.000 0.939 543 N CB 0.985 39.433 38.487 -0.064 0.000 1.534 543 N HN 0.276 nan 8.380 nan 0.000 0.556 544 R N 3.707 124.171 120.500 -0.061 0.000 2.438 544 R HA 0.411 4.751 4.340 -0.001 0.000 0.287 544 R C -0.405 175.808 176.300 -0.146 0.000 1.077 544 R CA -0.328 55.675 56.100 -0.162 0.000 1.034 544 R CB 0.502 30.523 30.300 -0.466 0.000 0.993 544 R HN 0.535 nan 8.270 nan 0.000 0.459 545 L N 3.221 124.388 121.223 -0.093 0.000 2.371 545 L HA 0.290 4.629 4.340 -0.001 0.000 0.272 545 L C 1.050 177.851 176.870 -0.115 0.000 1.124 545 L CA -0.472 54.321 54.840 -0.079 0.000 0.816 545 L CB 1.117 43.161 42.059 -0.026 0.000 1.129 545 L HN 0.832 nan 8.230 nan 0.000 0.448 546 G N 0.556 109.289 108.800 -0.111 0.000 2.343 546 G HA2 0.390 4.350 3.960 -0.001 0.000 0.254 546 G HA3 0.390 4.350 3.960 -0.001 0.000 0.254 546 G C 0.839 175.712 174.900 -0.045 0.000 1.277 546 G CA 0.573 45.613 45.100 -0.100 0.000 0.909 546 G HN 1.009 nan 8.290 nan 0.000 0.502 547 G N 1.970 110.754 108.800 -0.026 0.000 2.391 547 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.204 547 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.204 547 G C 1.073 175.988 174.900 0.025 0.000 1.012 547 G CA 0.335 45.446 45.100 0.018 0.000 0.651 547 G HN 0.653 nan 8.290 nan 0.000 0.494 548 N N 1.051 119.753 118.700 0.003 0.000 2.515 548 N HA 0.286 5.025 4.740 -0.001 0.000 0.185 548 N C 2.296 177.872 175.510 0.110 0.000 1.109 548 N CA 0.649 53.755 53.050 0.093 0.000 0.903 548 N CB 0.023 38.615 38.487 0.176 0.000 0.969 548 N HN 0.559 nan 8.380 nan 0.000 0.450 549 A N 1.123 123.919 122.820 -0.041 0.000 1.911 549 A HA 0.036 4.355 4.320 -0.001 0.000 0.212 549 A C 1.951 179.599 177.584 0.106 0.000 1.189 549 A CA 0.437 52.487 52.037 0.022 0.000 0.639 549 A CB -0.060 18.871 19.000 -0.116 0.000 0.839 549 A HN 0.089 nan 8.150 nan 0.000 0.449 550 I N 0.125 120.743 120.570 0.081 0.000 2.493 550 I HA -0.136 4.034 4.170 -0.001 0.000 0.254 550 I C 2.568 178.755 176.117 0.116 0.000 1.160 550 I CA 1.604 62.964 61.300 0.100 0.000 1.445 550 I CB -1.273 36.779 38.000 0.085 0.000 1.086 550 I HN 0.366 nan 8.210 nan 0.000 0.433 551 S N 0.873 116.641 115.700 0.113 0.000 2.355 551 S HA -0.222 4.247 4.470 -0.001 0.000 0.222 551 S C 1.872 176.568 174.600 0.160 0.000 1.031 551 S CA 1.856 60.123 58.200 0.112 0.000 0.993 551 S CB -0.198 63.059 63.200 0.094 0.000 0.859 551 S HN 0.494 nan 8.310 nan 0.000 0.453 552 D N 1.650 122.178 120.400 0.213 0.000 2.106 552 D HA -0.163 4.477 4.640 -0.001 0.000 0.191 552 D C 1.966 178.434 176.300 0.281 0.000 0.997 552 D CA 2.052 56.223 54.000 0.286 0.000 0.834 552 D CB -0.668 40.309 40.800 0.295 0.000 0.956 552 D HN 0.658 nan 8.370 nan 0.000 0.448 553 I N -1.726 118.974 120.570 0.216 0.000 2.286 553 I HA -0.190 3.980 4.170 -0.001 0.000 0.248 553 I C 2.108 178.335 176.117 0.183 0.000 1.115 553 I CA 0.899 62.315 61.300 0.192 0.000 1.392 553 I CB -0.540 37.556 38.000 0.160 0.000 1.065 553 I HN -0.065 nan 8.210 nan 0.000 0.418 554 V N 1.529 121.546 119.914 0.173 0.000 2.232 554 V HA -0.214 3.906 4.120 -0.001 0.000 0.239 554 V C 2.620 178.762 176.094 0.079 0.000 1.040 554 V CA 2.568 64.983 62.300 0.192 0.000 0.996 554 V CB -1.365 30.583 31.823 0.208 0.000 0.638 554 V HN 0.473 nan 8.190 nan 0.000 0.453 555 T N -0.452 114.114 114.554 0.019 0.000 2.531 555 T HA -0.322 4.028 4.350 -0.001 0.000 0.261 555 T C 1.760 176.318 174.700 -0.237 0.000 1.141 555 T CA 2.872 64.881 62.100 -0.153 0.000 1.176 555 T CB -0.580 68.199 68.868 -0.148 0.000 0.863 555 T HN 0.440 nan 8.240 nan 0.000 0.424 556 Y N 1.188 121.486 120.300 -0.003 0.000 2.145 556 Y HA 0.015 4.565 4.550 -0.000 0.000 0.286 556 Y C 2.889 178.788 175.900 -0.001 0.000 1.145 556 Y CA 1.044 59.142 58.100 -0.003 0.000 1.148 556 Y CB -1.110 37.359 38.460 0.017 0.000 0.981 556 Y HN 0.321 nan 8.280 nan 0.000 0.507 557 G N -0.214 108.673 108.800 0.144 0.000 2.513 557 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.219 557 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.219 557 G C 1.751 176.656 174.900 0.008 0.000 1.160 557 G CA 1.252 46.413 45.100 0.102 0.000 0.767 557 G HN 0.309 nan 8.290 nan 0.000 0.571 558 R N 0.079 120.511 120.500 -0.113 0.000 2.096 558 R HA -0.070 4.270 4.340 -0.001 0.000 0.240 558 R C 2.621 178.777 176.300 -0.239 0.000 1.139 558 R CA 1.649 57.553 56.100 -0.327 0.000 0.952 558 R CB -0.365 29.494 30.300 -0.735 0.000 0.854 558 R HN 0.465 nan 8.270 nan 0.000 0.436 559 I N 0.450 120.893 120.570 -0.213 0.000 2.142 559 I HA -0.265 3.905 4.170 -0.001 0.000 0.240 559 I C 2.604 178.675 176.117 -0.077 0.000 1.078 559 I CA 1.387 62.592 61.300 -0.158 0.000 1.343 559 I CB -0.512 37.379 38.000 -0.183 0.000 1.046 559 I HN 0.319 nan 8.210 nan 0.000 0.405 560 A N 0.961 123.779 122.820 -0.003 0.000 1.948 560 A HA -0.169 4.151 4.320 -0.001 0.000 0.220 560 A C 2.393 179.903 177.584 -0.123 0.000 1.177 560 A CA 2.095 54.126 52.037 -0.010 0.000 0.636 560 A CB -1.445 17.602 19.000 0.077 0.000 0.815 560 A HN 0.511 nan 8.150 nan 0.000 0.449 561 G N -0.682 108.069 108.800 -0.082 0.000 2.414 561 G HA2 0.043 4.002 3.960 -0.001 0.000 0.215 561 G HA3 0.043 4.002 3.960 -0.001 0.000 0.215 561 G C 1.798 176.634 174.900 -0.107 0.000 1.188 561 G CA 1.384 46.441 45.100 -0.073 0.000 0.783 561 G HN 0.822 nan 8.290 nan 0.000 0.537 562 A N 0.418 123.171 122.820 -0.113 0.000 1.908 562 A HA -0.063 4.256 4.320 -0.001 0.000 0.218 562 A C 2.638 180.148 177.584 -0.124 0.000 1.181 562 A CA 2.501 54.474 52.037 -0.107 0.000 0.627 562 A CB -0.802 18.127 19.000 -0.118 0.000 0.818 562 A HN 0.417 nan 8.150 nan 0.000 0.445 563 S N -0.783 114.810 115.700 -0.179 0.000 2.345 563 S HA 0.048 4.517 4.470 -0.001 0.000 0.219 563 S C 2.218 176.547 174.600 -0.451 0.000 1.031 563 S CA 1.361 59.422 58.200 -0.232 0.000 0.984 563 S CB -0.474 62.630 63.200 -0.161 0.000 0.874 563 S HN 0.822 nan 8.310 nan 0.000 0.451 564 A N 1.015 123.420 122.820 -0.691 0.000 2.019 564 A HA 0.220 4.540 4.320 -0.001 0.000 0.219 564 A C 2.291 179.782 177.584 -0.154 0.000 1.164 564 A CA 1.762 53.419 52.037 -0.634 0.000 0.644 564 A CB -1.012 17.693 19.000 -0.491 0.000 0.805 564 A HN 0.666 nan 8.150 nan 0.000 0.449 565 A N -0.304 122.448 122.820 -0.114 0.000 1.854 565 A HA 0.145 4.464 4.320 -0.001 0.000 0.214 565 A C 2.403 179.990 177.584 0.006 0.000 1.192 565 A CA 2.512 54.533 52.037 -0.028 0.000 0.611 565 A CB -0.975 18.007 19.000 -0.030 0.000 0.832 565 A HN 0.670 nan 8.150 nan 0.000 0.442 566 K N -0.783 119.617 120.400 0.000 0.000 2.059 566 K HA -0.224 4.095 4.320 -0.001 0.000 0.212 566 K C 1.896 178.535 176.600 0.065 0.000 1.050 566 K CA 1.980 58.281 56.287 0.023 0.000 0.927 566 K CB -1.508 31.009 32.500 0.028 0.000 0.714 566 K HN 0.497 nan 8.250 nan 0.000 0.447 567 F N 1.440 121.373 119.950 -0.027 0.000 2.043 567 F HA -0.223 4.304 4.527 -0.000 0.000 0.297 567 F C 2.754 178.565 175.800 0.018 0.000 1.118 567 F CA 2.025 60.042 58.000 0.028 0.000 1.202 567 F CB -0.777 38.270 39.000 0.077 0.000 0.965 567 F HN 0.297 nan 8.300 nan 0.000 0.482 568 A N -0.408 122.475 122.820 0.105 0.000 1.948 568 A HA -0.277 4.043 4.320 -0.001 0.000 0.220 568 A C 2.275 179.824 177.584 -0.059 0.000 1.177 568 A CA 2.026 54.071 52.037 0.013 0.000 0.636 568 A CB -0.827 18.207 19.000 0.057 0.000 0.815 568 A HN 0.500 nan 8.150 nan 0.000 0.449 569 K N -0.194 120.175 120.400 -0.051 0.000 2.211 569 K HA -0.119 4.201 4.320 -0.001 0.000 0.203 569 K C 0.338 176.881 176.600 -0.095 0.000 1.050 569 K CA 1.133 57.387 56.287 -0.055 0.000 0.945 569 K CB -0.141 32.338 32.500 -0.034 0.000 0.732 569 K HN 0.884 nan 8.250 nan 0.000 0.451 570 D N 0.000 120.301 120.400 -0.165 0.000 6.856 570 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 570 D CA 0.000 53.879 54.000 -0.201 0.000 0.868 570 D CB 0.000 40.686 40.800 -0.190 0.000 0.688 570 D HN 0.000 nan 8.370 nan 0.000 0.683