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 1zq1_1_D DATA FIRST_RESID 5 DATA SEQUENCE TDKFNYEELG LKVGLEIHRQ LDTKKLFSPV PSELSDKVEF TFQRRLRPTM DATA SEQUENCE SELGEIDPAA LEEFKKGRVY VYEGNYELTD LVYMDEEPPR GPDREALEVA DATA SEQUENCE LQIAYLLNAK PVDEVYYMRK IVIDGSNVSG FQRTAIIATD GKVETPWGAV DATA SEQUENCE GIPTICLEED AARIIERKDK EVIYRLDRLG IPLIEISTTP DIHHPEQAKV DATA SEQUENCE VAKFIGDALR ATKKVKRGLG TIRQDLNVSI KGGARIEIKG VQELDMIPII DATA SEQUENCE IEREVERQLN LLKIRDELRK RGVKPKDIKE EFYDVTDIFE NTKSKIIARV DATA SEQUENCE IKKGGKVLAI KLPKFRGLIG REIQPGRRLG TEFADRAKKY VPGIFHIDEL DATA SEQUENCE PNYGISQEEV NKVIERLNLS EEDAFVLVAA EEEKAKNALR EVIKRAREAI DATA SEQUENCE EGVPEETRRA LPDGNTEYMR PLPGKARMYP ETDIPPLRIP DDLKKKIKEN DATA SEQUENCE LPELPQAKVE RYVKEYKLDR SLAQTLVDDE RDELFEELVS MGVKPSLAAS DATA SEQUENCE ILVVVLKG 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.724 174.700 0.040 0.000 1.109 5 T CA 0.000 62.123 62.100 0.039 0.000 1.349 5 T CB 0.000 68.873 68.868 0.009 0.000 0.612 6 D N 2.878 123.274 120.400 -0.007 0.000 2.326 6 D HA 0.395 5.035 4.640 0.001 0.000 0.251 6 D C 0.921 177.069 176.300 -0.253 0.000 1.023 6 D CA -0.642 53.303 54.000 -0.092 0.000 0.966 6 D CB 2.110 42.797 40.800 -0.189 0.000 1.156 6 D HN 0.502 nan 8.370 nan 0.000 0.494 7 K N -0.034 120.135 120.400 -0.384 0.000 2.116 7 K HA 0.050 4.370 4.320 0.001 0.000 0.203 7 K C -0.244 175.762 176.600 -0.991 0.000 1.052 7 K CA 1.126 57.002 56.287 -0.684 0.000 0.952 7 K CB 0.179 32.194 32.500 -0.808 0.000 0.729 7 K HN 0.310 nan 8.250 nan 0.000 0.446 8 F N -0.518 119.121 119.950 -0.519 0.000 2.620 8 F HA 0.309 4.836 4.527 0.001 0.000 0.320 8 F C 0.019 175.410 175.800 -0.681 0.000 1.069 8 F CA -1.410 56.289 58.000 -0.502 0.000 0.953 8 F CB 0.884 39.685 39.000 -0.332 0.000 1.322 8 F HN -0.235 nan 8.300 nan 0.000 0.479 9 N N 1.209 119.833 118.700 -0.127 0.000 3.124 9 N HA 0.040 4.780 4.740 0.001 0.000 0.284 9 N C 0.654 176.163 175.510 -0.002 0.000 1.209 9 N CA 0.134 53.129 53.050 -0.091 0.000 1.149 9 N CB -0.371 38.113 38.487 -0.005 0.000 1.434 9 N HN 0.654 nan 8.380 nan 0.000 0.529 10 Y N -0.306 120.042 120.300 0.080 0.000 2.405 10 Y HA -0.230 4.321 4.550 0.001 0.000 0.282 10 Y C 2.206 178.140 175.900 0.056 0.000 1.182 10 Y CA 0.597 58.717 58.100 0.033 0.000 1.312 10 Y CB 0.254 38.679 38.460 -0.059 0.000 0.971 10 Y HN 0.439 nan 8.280 nan 0.000 0.560 11 E N 0.829 121.151 120.200 0.204 0.000 2.158 11 E HA -0.141 4.210 4.350 0.001 0.000 0.191 11 E C 1.533 178.189 176.600 0.095 0.000 0.982 11 E CA 0.677 57.169 56.400 0.153 0.000 0.823 11 E CB 0.124 29.909 29.700 0.141 0.000 0.766 11 E HN 0.630 nan 8.360 nan 0.000 0.468 12 E N 0.422 120.669 120.200 0.079 0.000 2.015 12 E HA -0.051 4.299 4.350 0.001 0.000 0.191 12 E C 0.888 177.514 176.600 0.044 0.000 0.991 12 E CA 0.334 56.764 56.400 0.050 0.000 0.802 12 E CB -0.064 29.658 29.700 0.038 0.000 0.759 12 E HN 0.165 nan 8.360 nan 0.000 0.447 13 L N 0.682 121.937 121.223 0.054 0.000 2.492 13 L HA 0.030 4.370 4.340 0.001 0.000 0.280 13 L C 1.125 178.018 176.870 0.039 0.000 1.240 13 L CA -0.052 54.807 54.840 0.031 0.000 0.831 13 L CB 0.101 42.177 42.059 0.028 0.000 1.100 13 L HN 0.148 nan 8.230 nan 0.000 0.505 14 G N 2.512 111.320 108.800 0.012 0.000 3.458 14 G HA2 0.294 4.254 3.960 0.001 0.000 0.256 14 G HA3 0.294 4.254 3.960 0.001 0.000 0.256 14 G C -0.196 174.708 174.900 0.007 0.000 0.938 14 G CA -0.431 44.676 45.100 0.012 0.000 1.890 14 G HN 0.340 nan 8.290 nan 0.000 0.639 15 L N 1.335 122.572 121.223 0.023 0.000 2.530 15 L HA 0.289 4.629 4.340 0.001 0.000 0.273 15 L C -0.326 176.544 176.870 -0.001 0.000 1.141 15 L CA 0.249 55.080 54.840 -0.015 0.000 0.905 15 L CB 0.229 42.262 42.059 -0.044 0.000 1.202 15 L HN -0.016 nan 8.230 nan 0.000 0.473 16 K N 5.114 125.498 120.400 -0.026 0.000 2.502 16 K HA 0.517 4.837 4.320 0.001 0.000 0.254 16 K C -1.425 175.151 176.600 -0.039 0.000 0.947 16 K CA -0.526 55.754 56.287 -0.011 0.000 0.834 16 K CB 2.059 34.556 32.500 -0.006 0.000 1.112 16 K HN 0.349 nan 8.250 nan 0.000 0.427 17 V N 1.335 121.222 119.914 -0.045 0.000 2.495 17 V HA 0.673 4.794 4.120 0.001 0.000 0.298 17 V C 0.504 176.572 176.094 -0.044 0.000 1.031 17 V CA -0.909 61.352 62.300 -0.065 0.000 0.871 17 V CB 1.990 33.748 31.823 -0.110 0.000 0.988 17 V HN 0.837 nan 8.190 nan 0.000 0.432 18 G N 2.797 111.574 108.800 -0.039 0.000 2.511 18 G HA2 0.766 4.727 3.960 0.001 0.000 0.318 18 G HA3 0.766 4.727 3.960 0.001 0.000 0.318 18 G C -1.855 173.022 174.900 -0.037 0.000 1.210 18 G CA -0.612 44.470 45.100 -0.030 0.000 0.969 18 G HN 0.550 nan 8.290 nan 0.000 0.484 19 L N -0.337 120.865 121.223 -0.036 0.000 2.455 19 L HA 0.639 4.980 4.340 0.001 0.000 0.264 19 L C -0.946 175.890 176.870 -0.057 0.000 0.968 19 L CA -0.590 54.224 54.840 -0.044 0.000 0.827 19 L CB 2.296 44.331 42.059 -0.041 0.000 1.317 19 L HN 0.663 nan 8.230 nan 0.000 0.407 20 E N 5.475 125.631 120.200 -0.073 0.000 2.263 20 E HA 0.601 4.952 4.350 0.001 0.000 0.268 20 E C -1.386 175.110 176.600 -0.173 0.000 0.884 20 E CA -0.418 55.904 56.400 -0.131 0.000 0.766 20 E CB 2.546 32.175 29.700 -0.118 0.000 1.196 20 E HN 0.451 nan 8.360 nan 0.000 0.416 21 I N 2.778 123.203 120.570 -0.242 0.000 2.498 21 I HA 0.351 4.521 4.170 0.001 0.000 0.290 21 I C -0.559 175.372 176.117 -0.309 0.000 1.032 21 I CA -0.842 60.336 61.300 -0.204 0.000 1.073 21 I CB 1.473 39.408 38.000 -0.108 0.000 1.251 21 I HN 0.404 nan 8.210 nan 0.000 0.426 22 H N 4.892 123.954 119.070 -0.014 0.000 2.524 22 H HA 0.663 5.220 4.556 0.001 0.000 0.353 22 H C -0.945 174.375 175.328 -0.014 0.000 1.136 22 H CA -0.880 55.162 56.048 -0.011 0.000 1.193 22 H CB 2.429 32.187 29.762 -0.005 0.000 1.558 22 H HN 0.395 nan 8.280 nan 0.000 0.515 23 R N 1.435 122.000 120.500 0.107 0.000 2.535 23 R HA 0.170 4.510 4.340 0.001 0.000 0.274 23 R C -1.111 175.210 176.300 0.035 0.000 1.090 23 R CA -0.583 55.546 56.100 0.048 0.000 0.930 23 R CB 1.388 31.696 30.300 0.013 0.000 1.223 23 R HN 0.609 nan 8.270 nan 0.000 0.441 24 Q N 3.838 123.649 119.800 0.019 0.000 2.332 24 Q HA 0.294 4.634 4.340 0.001 0.000 0.263 24 Q C -0.246 175.753 176.000 -0.001 0.000 0.979 24 Q CA -0.074 55.733 55.803 0.005 0.000 0.885 24 Q CB 1.080 29.815 28.738 -0.006 0.000 1.218 24 Q HN 0.437 nan 8.270 nan 0.000 0.405 25 L N 1.438 122.658 121.223 -0.005 0.000 2.343 25 L HA 0.256 4.596 4.340 0.001 0.000 0.275 25 L C 0.427 177.288 176.870 -0.014 0.000 1.056 25 L CA -0.543 54.292 54.840 -0.009 0.000 0.804 25 L CB 0.923 42.976 42.059 -0.010 0.000 1.203 25 L HN 0.603 nan 8.230 nan 0.000 0.440 26 D N 2.029 122.422 120.400 -0.012 0.000 2.741 26 D HA 0.135 4.775 4.640 0.001 0.000 0.233 26 D C -0.038 176.254 176.300 -0.013 0.000 1.160 26 D CA 0.044 54.036 54.000 -0.012 0.000 1.003 26 D CB 0.327 41.122 40.800 -0.009 0.000 1.064 26 D HN 0.724 nan 8.370 nan 0.000 0.503 27 T N -1.809 112.734 114.554 -0.018 0.000 2.633 27 T HA 0.509 4.860 4.350 0.001 0.000 0.262 27 T C 0.423 175.109 174.700 -0.022 0.000 0.920 27 T CA -0.795 61.293 62.100 -0.020 0.000 1.062 27 T CB 1.505 70.356 68.868 -0.027 0.000 1.390 27 T HN -0.034 nan 8.240 nan 0.000 0.549 28 K N 0.343 120.729 120.400 -0.023 0.000 2.179 28 K HA 0.458 4.778 4.320 0.001 0.000 0.238 28 K C -0.173 176.411 176.600 -0.027 0.000 1.033 28 K CA -0.907 55.370 56.287 -0.017 0.000 0.926 28 K CB 0.458 32.954 32.500 -0.006 0.000 1.151 28 K HN 0.379 nan 8.250 nan 0.000 0.492 29 K N 1.169 121.561 120.400 -0.013 0.000 2.489 29 K HA -0.069 4.252 4.320 0.001 0.000 0.278 29 K C 1.013 177.616 176.600 0.005 0.000 1.000 29 K CA -0.123 56.153 56.287 -0.018 0.000 1.012 29 K CB 0.295 32.786 32.500 -0.016 0.000 0.903 29 K HN 0.360 nan 8.250 nan 0.000 0.485 30 L N 3.192 124.390 121.223 -0.041 0.000 2.197 30 L HA -0.166 4.174 4.340 0.001 0.000 0.215 30 L C 0.493 177.017 176.870 -0.577 0.000 1.095 30 L CA 1.945 56.632 54.840 -0.255 0.000 0.764 30 L CB -0.104 41.821 42.059 -0.223 0.000 0.897 30 L HN 0.610 nan 8.230 nan 0.000 0.436 31 F N -1.479 118.572 119.950 0.168 0.000 2.790 31 F HA 0.410 4.937 4.527 0.000 0.000 0.371 31 F C 0.240 176.055 175.800 0.026 0.000 1.293 31 F CA -0.218 57.800 58.000 0.030 0.000 1.205 31 F CB 0.620 39.580 39.000 -0.068 0.000 1.047 31 F HN -0.109 nan 8.300 nan 0.000 0.510 32 S N 0.337 116.157 115.700 0.200 0.000 2.639 32 S HA 0.209 4.679 4.470 0.001 0.000 0.319 32 S C -2.906 171.769 174.600 0.124 0.000 0.991 32 S CA -0.781 57.517 58.200 0.164 0.000 0.858 32 S CB 1.080 64.420 63.200 0.234 0.000 1.068 32 S HN -0.117 nan 8.310 nan 0.000 0.458 33 P HA 0.061 nan 4.420 nan 0.000 0.261 33 P C -0.754 176.578 177.300 0.055 0.000 1.463 33 P CA 0.430 63.557 63.100 0.045 0.000 0.834 33 P CB -0.388 31.331 31.700 0.033 0.000 1.715 34 V N 0.969 120.926 119.914 0.070 0.000 2.483 34 V HA 0.332 4.453 4.120 0.001 0.000 0.295 34 V C -2.158 173.951 176.094 0.025 0.000 1.035 34 V CA -2.729 59.608 62.300 0.062 0.000 0.896 34 V CB 1.818 33.700 31.823 0.099 0.000 0.986 34 V HN -0.012 nan 8.190 nan 0.000 0.447 35 P HA 0.084 nan 4.420 nan 0.000 0.265 35 P C 0.366 177.660 177.300 -0.009 0.000 1.222 35 P CA 0.080 63.184 63.100 0.006 0.000 0.767 35 P CB 0.300 32.008 31.700 0.014 0.000 0.801 36 S N 1.920 117.608 115.700 -0.020 0.000 3.120 36 S HA 0.007 4.477 4.470 0.001 0.000 0.259 36 S C 0.333 174.916 174.600 -0.027 0.000 1.191 36 S CA -0.175 58.003 58.200 -0.036 0.000 1.257 36 S CB -0.974 62.203 63.200 -0.038 0.000 0.964 36 S HN 0.445 nan 8.310 nan 0.000 0.473 37 E N 1.343 121.532 120.200 -0.018 0.000 2.259 37 E HA 0.331 4.682 4.350 0.001 0.000 0.281 37 E C -0.109 176.479 176.600 -0.019 0.000 1.037 37 E CA -0.319 56.073 56.400 -0.014 0.000 0.854 37 E CB 0.741 30.439 29.700 -0.003 0.000 1.051 37 E HN 0.430 nan 8.360 nan 0.000 0.409 38 L N 1.780 122.990 121.223 -0.021 0.000 2.468 38 L HA 0.403 4.743 4.340 0.001 0.000 0.254 38 L C 0.414 177.271 176.870 -0.021 0.000 1.171 38 L CA -0.202 54.623 54.840 -0.025 0.000 0.809 38 L CB 1.121 43.165 42.059 -0.025 0.000 1.155 38 L HN 0.451 nan 8.230 nan 0.000 0.473 39 S N -1.094 114.590 115.700 -0.026 0.000 2.543 39 S HA 0.265 4.735 4.470 0.001 0.000 0.274 39 S C -0.852 173.727 174.600 -0.036 0.000 1.149 39 S CA -0.693 57.492 58.200 -0.026 0.000 0.866 39 S CB 1.472 64.658 63.200 -0.023 0.000 1.111 39 S HN 0.636 nan 8.310 nan 0.000 0.457 40 D N 1.824 122.204 120.400 -0.034 0.000 2.395 40 D HA 0.154 4.794 4.640 0.001 0.000 0.213 40 D C -0.067 176.205 176.300 -0.046 0.000 1.110 40 D CA 0.088 54.064 54.000 -0.040 0.000 0.835 40 D CB 0.449 41.230 40.800 -0.032 0.000 0.965 40 D HN 0.400 nan 8.370 nan 0.000 0.505 41 K N 1.565 121.938 120.400 -0.046 0.000 2.267 41 K HA 0.289 4.609 4.320 0.001 0.000 0.282 41 K C -0.804 175.743 176.600 -0.089 0.000 1.078 41 K CA -0.259 55.998 56.287 -0.051 0.000 0.903 41 K CB 1.023 33.506 32.500 -0.029 0.000 1.111 41 K HN -0.280 nan 8.250 nan 0.000 0.475 42 V N 5.658 125.509 119.914 -0.104 0.000 2.318 42 V HA 0.108 4.229 4.120 0.001 0.000 0.271 42 V C 0.441 176.432 176.094 -0.171 0.000 1.030 42 V CA -0.204 61.998 62.300 -0.162 0.000 0.844 42 V CB 1.077 32.817 31.823 -0.138 0.000 1.015 42 V HN 0.895 nan 8.190 nan 0.000 0.460 43 E N 4.370 124.409 120.200 -0.269 0.000 2.452 43 E HA 0.214 4.565 4.350 0.001 0.000 0.197 43 E C -0.243 176.208 176.600 -0.249 0.000 1.022 43 E CA 0.415 56.633 56.400 -0.303 0.000 0.890 43 E CB 0.714 30.111 29.700 -0.504 0.000 0.918 43 E HN 0.697 nan 8.360 nan 0.000 0.496 44 F N -2.355 117.427 119.950 -0.280 0.000 2.744 44 F HA 0.559 5.088 4.527 0.003 0.000 0.311 44 F C -1.185 174.624 175.800 0.014 0.000 1.144 44 F CA -1.037 56.899 58.000 -0.106 0.000 0.938 44 F CB 1.606 40.556 39.000 -0.083 0.000 1.292 44 F HN -0.359 nan 8.300 nan 0.000 0.444 45 T N 2.430 117.175 114.554 0.319 0.000 2.916 45 T HA 0.780 5.131 4.350 0.001 0.000 0.305 45 T C -1.818 173.128 174.700 0.411 0.000 1.119 45 T CA -0.526 61.683 62.100 0.183 0.000 1.008 45 T CB 1.142 70.023 68.868 0.022 0.000 1.129 45 T HN 1.012 nan 8.240 nan 0.000 0.480 46 F N 1.334 121.455 119.950 0.285 0.000 2.599 46 F HA 0.735 5.261 4.527 -0.000 0.000 0.311 46 F C -0.589 175.374 175.800 0.272 0.000 1.076 46 F CA -1.170 56.992 58.000 0.271 0.000 0.937 46 F CB 1.546 40.723 39.000 0.295 0.000 1.282 46 F HN 0.487 nan 8.300 nan 0.000 0.460 47 Q N 2.192 122.229 119.800 0.394 0.000 2.230 47 Q HA 0.709 5.049 4.340 0.001 0.000 0.248 47 Q C -1.148 175.082 176.000 0.384 0.000 0.915 47 Q CA -0.826 55.146 55.803 0.281 0.000 0.900 47 Q CB 1.454 30.303 28.738 0.185 0.000 1.229 47 Q HN 0.823 nan 8.270 nan 0.000 0.439 48 R N 0.728 121.418 120.500 0.317 0.000 2.634 48 R HA 0.448 4.788 4.340 0.001 0.000 0.263 48 R C -1.843 174.552 176.300 0.157 0.000 1.060 48 R CA -0.495 55.797 56.100 0.321 0.000 0.898 48 R CB 1.563 32.177 30.300 0.524 0.000 1.253 48 R HN 0.579 nan 8.270 nan 0.000 0.461 49 R N 1.726 122.279 120.500 0.088 0.000 2.807 49 R HA 0.670 5.010 4.340 0.001 0.000 0.276 49 R C -0.982 175.341 176.300 0.038 0.000 0.979 49 R CA -0.634 55.436 56.100 -0.050 0.000 0.928 49 R CB 1.742 32.039 30.300 -0.005 0.000 1.191 49 R HN 0.396 nan 8.270 nan 0.000 0.471 50 L N 2.513 123.751 121.223 0.025 0.000 2.362 50 L HA 0.674 5.015 4.340 0.001 0.000 0.271 50 L C -0.334 176.476 176.870 -0.100 0.000 1.002 50 L CA -1.028 53.848 54.840 0.061 0.000 0.818 50 L CB 1.928 44.117 42.059 0.217 0.000 1.298 50 L HN 0.464 nan 8.230 nan 0.000 0.420 51 R N 1.554 121.943 120.500 -0.185 0.000 2.670 51 R HA 0.616 4.957 4.340 0.001 0.000 0.289 51 R C -2.594 173.531 176.300 -0.292 0.000 0.965 51 R CA -1.925 53.905 56.100 -0.449 0.000 0.899 51 R CB 1.278 31.325 30.300 -0.422 0.000 1.173 51 R HN 0.316 nan 8.270 nan 0.000 0.456 52 P HA 0.133 nan 4.420 nan 0.000 0.270 52 P C -0.717 176.506 177.300 -0.129 0.000 1.223 52 P CA -0.120 62.883 63.100 -0.161 0.000 0.785 52 P CB 0.560 32.185 31.700 -0.125 0.000 0.923 53 T N 1.341 115.843 114.554 -0.086 0.000 2.856 53 T HA 0.427 4.778 4.350 0.001 0.000 0.283 53 T C 0.286 174.938 174.700 -0.080 0.000 1.008 53 T CA -0.661 61.384 62.100 -0.091 0.000 0.997 53 T CB 0.887 69.683 68.868 -0.119 0.000 0.992 53 T HN 0.297 nan 8.240 nan 0.000 0.454 54 M N 2.807 122.365 119.600 -0.070 0.000 2.252 54 M HA 0.147 4.627 4.480 0.001 0.000 0.321 54 M C 1.024 177.285 176.300 -0.064 0.000 1.070 54 M CA 0.094 55.362 55.300 -0.053 0.000 1.143 54 M CB 0.483 33.058 32.600 -0.042 0.000 1.498 54 M HN 0.898 nan 8.290 nan 0.000 0.445 55 S N 1.634 117.306 115.700 -0.046 0.000 2.713 55 S HA 0.239 4.710 4.470 0.001 0.000 0.277 55 S C 0.708 175.283 174.600 -0.041 0.000 1.168 55 S CA -0.607 57.565 58.200 -0.047 0.000 0.994 55 S CB 0.783 63.965 63.200 -0.030 0.000 1.054 55 S HN 0.767 nan 8.310 nan 0.000 0.555 56 E N 0.052 120.230 120.200 -0.037 0.000 2.136 56 E HA -0.192 4.159 4.350 0.001 0.000 0.202 56 E C 0.362 176.950 176.600 -0.021 0.000 1.019 56 E CA 1.517 57.900 56.400 -0.029 0.000 0.819 56 E CB -0.794 28.893 29.700 -0.022 0.000 0.739 56 E HN 0.575 nan 8.360 nan 0.000 0.458 57 L N -2.157 119.056 121.223 -0.017 0.000 2.935 57 L HA 0.558 4.899 4.340 0.001 0.000 0.243 57 L C 0.538 177.402 176.870 -0.011 0.000 1.313 57 L CA -0.319 54.514 54.840 -0.012 0.000 0.969 57 L CB 0.219 42.273 42.059 -0.008 0.000 1.320 57 L HN 0.063 nan 8.230 nan 0.000 0.511 58 G N -0.183 108.609 108.800 -0.014 0.000 2.412 58 G HA2 -0.276 3.685 3.960 0.001 0.000 0.297 58 G HA3 -0.276 3.685 3.960 0.001 0.000 0.297 58 G C 0.015 174.912 174.900 -0.006 0.000 0.965 58 G CA 0.513 45.606 45.100 -0.011 0.000 1.134 58 G HN 0.637 nan 8.290 nan 0.000 0.511 59 E N -0.442 119.753 120.200 -0.009 0.000 2.210 59 E HA 0.446 4.797 4.350 0.001 0.000 0.266 59 E C 0.149 176.747 176.600 -0.003 0.000 0.883 59 E CA -1.154 55.245 56.400 -0.001 0.000 0.761 59 E CB 1.469 31.169 29.700 -0.000 0.000 1.156 59 E HN 0.115 nan 8.360 nan 0.000 0.412 60 I N 2.482 123.057 120.570 0.008 0.000 2.325 60 I HA 0.052 4.222 4.170 0.001 0.000 0.291 60 I C 0.530 176.659 176.117 0.019 0.000 1.019 60 I CA -0.418 60.888 61.300 0.011 0.000 1.302 60 I CB 0.504 38.523 38.000 0.030 0.000 1.401 60 I HN 0.575 nan 8.210 nan 0.000 0.485 61 D N 9.158 129.565 120.400 0.012 0.000 2.520 61 D HA -0.023 4.617 4.640 0.001 0.000 0.243 61 D C -1.625 174.699 176.300 0.039 0.000 1.160 61 D CA -0.900 53.113 54.000 0.021 0.000 0.877 61 D CB 1.622 42.433 40.800 0.018 0.000 1.150 61 D HN 0.253 nan 8.370 nan 0.000 0.494 62 P HA -0.182 nan 4.420 nan 0.000 0.214 62 P C 1.059 178.395 177.300 0.060 0.000 1.163 62 P CA 1.974 65.104 63.100 0.050 0.000 0.889 62 P CB 0.086 31.811 31.700 0.041 0.000 0.790 63 A N -0.509 122.344 122.820 0.055 0.000 1.978 63 A HA -0.154 4.167 4.320 0.001 0.000 0.220 63 A C 2.272 179.903 177.584 0.078 0.000 1.170 63 A CA 2.235 54.310 52.037 0.062 0.000 0.636 63 A CB -1.539 17.493 19.000 0.054 0.000 0.810 63 A HN 0.230 nan 8.150 nan 0.000 0.448 64 A N -0.741 122.125 122.820 0.076 0.000 1.903 64 A HA 0.151 4.471 4.320 0.001 0.000 0.213 64 A C 2.129 179.791 177.584 0.131 0.000 1.185 64 A CA 1.047 53.138 52.037 0.089 0.000 0.628 64 A CB -0.511 18.521 19.000 0.055 0.000 0.830 64 A HN 0.492 nan 8.150 nan 0.000 0.446 65 L N -0.203 121.094 121.223 0.124 0.000 2.042 65 L HA -0.237 4.104 4.340 0.001 0.000 0.210 65 L C 2.551 179.535 176.870 0.191 0.000 1.076 65 L CA 2.378 57.329 54.840 0.185 0.000 0.749 65 L CB -0.340 41.796 42.059 0.129 0.000 0.893 65 L HN 0.690 nan 8.230 nan 0.000 0.432 66 E N 0.030 120.307 120.200 0.128 0.000 2.021 66 E HA -0.357 3.994 4.350 0.001 0.000 0.200 66 E C 1.964 178.638 176.600 0.124 0.000 1.015 66 E CA 1.919 58.381 56.400 0.103 0.000 0.824 66 E CB -0.116 29.633 29.700 0.083 0.000 0.762 66 E HN 0.448 nan 8.360 nan 0.000 0.454 67 E N -0.066 120.223 120.200 0.148 0.000 2.130 67 E HA -0.222 4.128 4.350 0.001 0.000 0.196 67 E C 1.752 178.490 176.600 0.229 0.000 0.998 67 E CA 1.357 57.862 56.400 0.174 0.000 0.806 67 E CB -0.529 29.285 29.700 0.190 0.000 0.738 67 E HN 0.369 nan 8.360 nan 0.000 0.459 68 F N 1.288 121.269 119.950 0.052 0.000 2.075 68 F HA -0.067 4.461 4.527 0.000 0.000 0.297 68 F C 1.817 177.625 175.800 0.014 0.000 1.113 68 F CA 1.714 59.731 58.000 0.029 0.000 1.218 68 F CB -0.492 38.524 39.000 0.027 0.000 0.984 68 F HN -0.039 nan 8.300 nan 0.000 0.472 69 K N 0.319 120.688 120.400 -0.052 0.000 2.113 69 K HA -0.229 4.092 4.320 0.001 0.000 0.208 69 K C 1.946 178.466 176.600 -0.133 0.000 1.047 69 K CA 1.942 58.119 56.287 -0.184 0.000 0.928 69 K CB -0.250 32.213 32.500 -0.063 0.000 0.716 69 K HN 0.248 nan 8.250 nan 0.000 0.446 70 K N -0.425 119.954 120.400 -0.035 0.000 2.218 70 K HA -0.130 4.190 4.320 0.001 0.000 0.205 70 K C 1.050 177.622 176.600 -0.046 0.000 1.046 70 K CA 0.984 57.262 56.287 -0.015 0.000 0.933 70 K CB -0.257 32.266 32.500 0.038 0.000 0.728 70 K HN 0.425 nan 8.250 nan 0.000 0.454 71 G N 1.877 110.626 108.800 -0.084 0.000 2.246 71 G HA2 -0.311 3.650 3.960 0.001 0.000 0.273 71 G HA3 -0.311 3.650 3.960 0.001 0.000 0.273 71 G C -0.435 174.427 174.900 -0.063 0.000 1.055 71 G CA 0.071 45.109 45.100 -0.103 0.000 0.851 71 G HN 0.253 nan 8.290 nan 0.000 0.500 72 R N -1.053 119.419 120.500 -0.047 0.000 2.490 72 R HA 0.580 4.920 4.340 0.001 0.000 0.278 72 R C -0.014 176.141 176.300 -0.241 0.000 1.069 72 R CA -0.383 55.676 56.100 -0.068 0.000 1.080 72 R CB 1.966 32.299 30.300 0.054 0.000 1.030 72 R HN 0.299 nan 8.270 nan 0.000 0.491 73 V N 4.377 124.181 119.914 -0.183 0.000 2.495 73 V HA 0.375 4.496 4.120 0.001 0.000 0.298 73 V C -1.255 174.781 176.094 -0.096 0.000 1.031 73 V CA -0.655 61.511 62.300 -0.225 0.000 0.871 73 V CB 1.267 33.045 31.823 -0.075 0.000 0.988 73 V HN 0.617 nan 8.190 nan 0.000 0.432 74 Y N 5.226 125.554 120.300 0.046 0.000 2.350 74 Y HA 0.576 5.126 4.550 0.000 0.000 0.340 74 Y C 0.227 175.997 175.900 -0.216 0.000 1.006 74 Y CA -1.127 56.930 58.100 -0.072 0.000 1.166 74 Y CB 1.721 40.198 38.460 0.029 0.000 1.168 74 Y HN 0.392 nan 8.280 nan 0.000 0.502 75 V N 4.820 124.610 119.914 -0.208 0.000 2.398 75 V HA 0.273 4.394 4.120 0.001 0.000 0.286 75 V C -0.819 174.919 176.094 -0.594 0.000 1.026 75 V CA -1.090 61.044 62.300 -0.278 0.000 0.868 75 V CB 0.687 32.419 31.823 -0.152 0.000 0.982 75 V HN 0.541 nan 8.190 nan 0.000 0.443 76 Y N 2.162 122.206 120.300 -0.428 0.000 2.364 76 Y HA 0.542 5.092 4.550 -0.000 0.000 0.340 76 Y C 0.411 176.034 175.900 -0.462 0.000 0.975 76 Y CA -0.802 56.997 58.100 -0.502 0.000 1.089 76 Y CB 1.568 39.506 38.460 -0.870 0.000 1.192 76 Y HN 0.598 nan 8.280 nan 0.000 0.454 77 E N 1.499 121.588 120.200 -0.185 0.000 2.191 77 E HA 0.715 5.065 4.350 0.001 0.000 0.278 77 E C -0.295 176.109 176.600 -0.326 0.000 0.972 77 E CA -0.795 55.447 56.400 -0.263 0.000 0.804 77 E CB 1.969 31.553 29.700 -0.194 0.000 1.110 77 E HN 0.839 nan 8.360 nan 0.000 0.394 78 G N 1.841 110.242 108.800 -0.665 0.000 2.692 78 G HA2 0.306 4.266 3.960 0.001 0.000 0.291 78 G HA3 0.306 4.266 3.960 0.001 0.000 0.291 78 G C -1.502 172.951 174.900 -0.744 0.000 1.423 78 G CA -0.806 43.901 45.100 -0.655 0.000 0.843 78 G HN 0.549 nan 8.290 nan 0.000 0.486 79 N N -0.333 118.196 118.700 -0.285 0.000 2.321 79 N HA 0.193 4.934 4.740 0.001 0.000 0.299 79 N C 0.387 175.988 175.510 0.153 0.000 1.048 79 N CA -0.798 52.164 53.050 -0.146 0.000 0.836 79 N CB 1.833 40.272 38.487 -0.080 0.000 1.269 79 N HN 0.600 nan 8.380 nan 0.000 0.486 80 Y N 0.792 121.290 120.300 0.329 0.000 2.173 80 Y HA -0.260 4.291 4.550 0.002 0.000 0.282 80 Y C 1.931 177.933 175.900 0.171 0.000 1.192 80 Y CA 1.475 59.739 58.100 0.273 0.000 1.176 80 Y CB 0.145 38.710 38.460 0.175 0.000 0.969 80 Y HN 0.629 nan 8.280 nan 0.000 0.519 81 E N -0.453 119.910 120.200 0.272 0.000 2.190 81 E HA -0.038 4.313 4.350 0.001 0.000 0.191 81 E C 1.752 178.434 176.600 0.137 0.000 0.978 81 E CA 0.546 57.050 56.400 0.173 0.000 0.839 81 E CB 0.072 29.847 29.700 0.126 0.000 0.787 81 E HN 0.476 nan 8.360 nan 0.000 0.473 82 L N 0.437 121.735 121.223 0.124 0.000 2.616 82 L HA 0.128 4.469 4.340 0.001 0.000 0.229 82 L C 0.359 177.301 176.870 0.121 0.000 1.110 82 L CA 0.245 55.141 54.840 0.094 0.000 0.884 82 L CB 0.619 42.708 42.059 0.050 0.000 1.115 82 L HN -0.091 nan 8.230 nan 0.000 0.481 83 T N 1.292 115.956 114.554 0.183 0.000 2.749 83 T HA 0.284 4.634 4.350 0.001 0.000 0.287 83 T C -0.404 174.453 174.700 0.262 0.000 0.970 83 T CA -0.636 61.606 62.100 0.236 0.000 0.980 83 T CB 1.354 70.403 68.868 0.301 0.000 0.924 83 T HN 0.144 nan 8.240 nan 0.000 0.456 84 D N 2.997 123.532 120.400 0.226 0.000 2.350 84 D HA 0.260 4.900 4.640 0.001 0.000 0.238 84 D C 1.199 177.574 176.300 0.125 0.000 0.989 84 D CA -0.931 53.168 54.000 0.165 0.000 0.921 84 D CB 1.200 42.086 40.800 0.143 0.000 1.297 84 D HN 0.312 nan 8.370 nan 0.000 0.490 85 L N 0.672 121.922 121.223 0.046 0.000 2.129 85 L HA -0.194 4.146 4.340 0.001 0.000 0.212 85 L C 2.447 179.281 176.870 -0.060 0.000 1.087 85 L CA 0.848 55.674 54.840 -0.023 0.000 0.757 85 L CB -0.467 41.563 42.059 -0.049 0.000 0.896 85 L HN 0.318 nan 8.230 nan 0.000 0.434 86 V N -1.393 118.478 119.914 -0.072 0.000 2.407 86 V HA -0.291 3.830 4.120 0.001 0.000 0.248 86 V C 1.434 177.299 176.094 -0.382 0.000 1.055 86 V CA 1.694 63.857 62.300 -0.228 0.000 1.049 86 V CB -0.629 31.035 31.823 -0.266 0.000 0.662 86 V HN 0.389 nan 8.190 nan 0.000 0.455 87 Y N -1.678 118.630 120.300 0.014 0.000 2.683 87 Y HA 0.367 4.917 4.550 0.000 0.000 0.297 87 Y C 1.607 177.506 175.900 -0.002 0.000 1.147 87 Y CA 0.105 58.207 58.100 0.003 0.000 1.274 87 Y CB 0.278 38.756 38.460 0.030 0.000 1.143 87 Y HN 0.152 nan 8.280 nan 0.000 0.527 88 M N -0.801 118.814 119.600 0.025 0.000 2.306 88 M HA 0.102 4.583 4.480 0.001 0.000 0.292 88 M C -0.043 176.173 176.300 -0.140 0.000 1.018 88 M CA 0.332 55.612 55.300 -0.033 0.000 1.007 88 M CB 0.580 33.108 32.600 -0.120 0.000 1.510 88 M HN 0.210 nan 8.290 nan 0.000 0.537 89 D N 1.825 122.138 120.400 -0.144 0.000 2.800 89 D HA -0.169 4.472 4.640 0.001 0.000 0.232 89 D C 0.269 176.485 176.300 -0.140 0.000 1.137 89 D CA 0.927 54.830 54.000 -0.161 0.000 0.718 89 D CB -0.274 40.427 40.800 -0.164 0.000 1.084 89 D HN 0.365 nan 8.370 nan 0.000 0.432 90 E N -0.066 120.051 120.200 -0.138 0.000 2.630 90 E HA 0.176 4.527 4.350 0.001 0.000 0.218 90 E C 0.220 176.761 176.600 -0.098 0.000 0.977 90 E CA 0.021 56.347 56.400 -0.123 0.000 1.038 90 E CB 0.734 30.345 29.700 -0.149 0.000 1.051 90 E HN 0.678 nan 8.360 nan 0.000 0.487 91 E N 1.142 121.281 120.200 -0.103 0.000 2.381 91 E HA 0.286 4.637 4.350 0.001 0.000 0.286 91 E C -2.912 173.625 176.600 -0.106 0.000 0.960 91 E CA -2.053 54.294 56.400 -0.088 0.000 0.793 91 E CB 2.005 31.660 29.700 -0.074 0.000 1.225 91 E HN -0.245 nan 8.360 nan 0.000 0.420 92 P HA 0.117 nan 4.420 nan 0.000 0.267 92 P C -2.470 174.758 177.300 -0.120 0.000 1.200 92 P CA -0.661 62.380 63.100 -0.100 0.000 0.772 92 P CB 0.017 31.672 31.700 -0.073 0.000 0.855 93 P HA 0.214 nan 4.420 nan 0.000 0.274 93 P C -0.705 176.574 177.300 -0.034 0.000 1.237 93 P CA -0.083 62.922 63.100 -0.157 0.000 0.793 93 P CB 1.071 32.548 31.700 -0.371 0.000 0.977 94 R N 0.695 121.267 120.500 0.121 0.000 2.502 94 R HA 0.696 5.036 4.340 0.001 0.000 0.298 94 R C -0.006 176.431 176.300 0.229 0.000 1.018 94 R CA -0.441 55.737 56.100 0.130 0.000 0.899 94 R CB 1.959 32.289 30.300 0.050 0.000 1.181 94 R HN 0.855 nan 8.270 nan 0.000 0.444 95 G N 2.933 111.871 108.800 0.229 0.000 2.341 95 G HA2 0.298 4.258 3.960 0.001 0.000 0.299 95 G HA3 0.298 4.258 3.960 0.001 0.000 0.299 95 G C -3.150 171.725 174.900 -0.042 0.000 1.274 95 G CA -0.777 44.289 45.100 -0.056 0.000 0.853 95 G HN 0.252 nan 8.290 nan 0.000 0.493 96 P HA 0.328 nan 4.420 nan 0.000 0.274 96 P C -0.664 176.461 177.300 -0.292 0.000 1.237 96 P CA -0.248 62.528 63.100 -0.540 0.000 0.793 96 P CB 0.698 32.235 31.700 -0.273 0.000 0.977 97 D N 0.695 120.910 120.400 -0.309 0.000 2.493 97 D HA -0.048 4.592 4.640 0.001 0.000 0.240 97 D C 1.169 177.410 176.300 -0.098 0.000 1.142 97 D CA 0.135 54.040 54.000 -0.157 0.000 0.872 97 D CB 0.593 41.313 40.800 -0.134 0.000 1.173 97 D HN 0.068 nan 8.370 nan 0.000 0.467 98 R N 2.521 122.985 120.500 -0.061 0.000 2.083 98 R HA -0.140 4.200 4.340 0.001 0.000 0.237 98 R C 1.732 178.017 176.300 -0.026 0.000 1.137 98 R CA 1.528 57.607 56.100 -0.035 0.000 0.951 98 R CB -0.433 29.854 30.300 -0.022 0.000 0.851 98 R HN 0.716 nan 8.270 nan 0.000 0.434 99 E N -0.378 119.807 120.200 -0.026 0.000 2.005 99 E HA -0.206 4.145 4.350 0.001 0.000 0.198 99 E C 1.878 178.466 176.600 -0.020 0.000 1.010 99 E CA 1.406 57.796 56.400 -0.017 0.000 0.825 99 E CB -0.218 29.472 29.700 -0.016 0.000 0.769 99 E HN 0.313 nan 8.360 nan 0.000 0.456 100 A N 1.565 124.365 122.820 -0.033 0.000 1.940 100 A HA -0.263 4.057 4.320 0.001 0.000 0.221 100 A C 2.246 179.817 177.584 -0.022 0.000 1.190 100 A CA 1.850 53.868 52.037 -0.033 0.000 0.647 100 A CB -0.998 17.967 19.000 -0.058 0.000 0.821 100 A HN 0.487 nan 8.150 nan 0.000 0.457 101 L N -0.713 120.494 121.223 -0.026 0.000 1.948 101 L HA -0.232 4.109 4.340 0.001 0.000 0.212 101 L C 2.624 179.497 176.870 0.005 0.000 1.074 101 L CA 2.317 57.154 54.840 -0.006 0.000 0.753 101 L CB -0.639 41.416 42.059 -0.006 0.000 0.888 101 L HN 0.549 nan 8.230 nan 0.000 0.432 102 E N -0.583 119.622 120.200 0.009 0.000 2.086 102 E HA -0.300 4.051 4.350 0.001 0.000 0.205 102 E C 2.073 178.689 176.600 0.026 0.000 1.027 102 E CA 2.012 58.427 56.400 0.025 0.000 0.830 102 E CB -0.422 29.291 29.700 0.021 0.000 0.751 102 E HN 0.421 nan 8.360 nan 0.000 0.456 103 V N 1.408 121.330 119.914 0.012 0.000 2.317 103 V HA -0.365 3.756 4.120 0.001 0.000 0.251 103 V C 2.353 178.450 176.094 0.006 0.000 1.065 103 V CA 2.077 64.382 62.300 0.009 0.000 1.049 103 V CB -0.907 30.915 31.823 -0.002 0.000 0.651 103 V HN 0.398 nan 8.190 nan 0.000 0.450 104 A N -0.521 122.299 122.820 -0.001 0.000 1.877 104 A HA -0.165 4.155 4.320 0.001 0.000 0.216 104 A C 2.226 179.794 177.584 -0.025 0.000 1.186 104 A CA 1.914 53.943 52.037 -0.014 0.000 0.620 104 A CB -0.576 18.419 19.000 -0.010 0.000 0.822 104 A HN 0.500 nan 8.150 nan 0.000 0.443 105 L N -0.790 120.429 121.223 -0.006 0.000 2.079 105 L HA -0.275 4.066 4.340 0.001 0.000 0.210 105 L C 2.928 179.832 176.870 0.056 0.000 1.081 105 L CA 1.934 56.769 54.840 -0.009 0.000 0.752 105 L CB -0.427 41.676 42.059 0.073 0.000 0.896 105 L HN 0.647 nan 8.230 nan 0.000 0.433 106 Q N 0.560 120.419 119.800 0.098 0.000 2.046 106 Q HA -0.199 4.142 4.340 0.001 0.000 0.200 106 Q C 2.312 178.361 176.000 0.083 0.000 0.975 106 Q CA 1.567 57.455 55.803 0.141 0.000 0.836 106 Q CB -0.045 28.741 28.738 0.080 0.000 0.896 106 Q HN 0.511 nan 8.270 nan 0.000 0.428 107 I N 0.920 121.496 120.570 0.010 0.000 2.454 107 I HA -0.254 3.917 4.170 0.001 0.000 0.254 107 I C 2.393 178.479 176.117 -0.052 0.000 1.156 107 I CA 0.806 62.088 61.300 -0.031 0.000 1.433 107 I CB -0.427 37.543 38.000 -0.050 0.000 1.082 107 I HN 0.290 nan 8.210 nan 0.000 0.432 108 A N 0.456 123.221 122.820 -0.092 0.000 1.873 108 A HA -0.215 4.106 4.320 0.001 0.000 0.215 108 A C 2.147 179.626 177.584 -0.176 0.000 1.186 108 A CA 1.439 53.369 52.037 -0.178 0.000 0.616 108 A CB -0.955 17.864 19.000 -0.302 0.000 0.823 108 A HN 0.396 nan 8.150 nan 0.000 0.442 109 Y N -0.800 119.505 120.300 0.009 0.000 2.200 109 Y HA -0.132 4.419 4.550 0.001 0.000 0.290 109 Y C 2.052 177.973 175.900 0.036 0.000 1.137 109 Y CA 0.741 58.854 58.100 0.022 0.000 1.163 109 Y CB -0.235 38.236 38.460 0.018 0.000 0.988 109 Y HN 0.190 nan 8.280 nan 0.000 0.518 110 L N -0.266 121.052 121.223 0.158 0.000 2.450 110 L HA -0.194 4.146 4.340 0.001 0.000 0.225 110 L C 1.091 178.029 176.870 0.115 0.000 1.145 110 L CA 1.634 56.532 54.840 0.097 0.000 0.801 110 L CB -0.728 41.319 42.059 -0.019 0.000 0.924 110 L HN 0.302 nan 8.230 nan 0.000 0.447 111 L N -0.938 120.341 121.223 0.093 0.000 3.066 111 L HA 0.244 4.585 4.340 0.001 0.000 0.265 111 L C 0.396 177.342 176.870 0.126 0.000 1.232 111 L CA -0.276 54.645 54.840 0.135 0.000 1.031 111 L CB -0.104 41.977 42.059 0.036 0.000 1.379 111 L HN 0.201 nan 8.230 nan 0.000 0.563 112 N N 0.037 118.819 118.700 0.136 0.000 2.681 112 N HA -0.200 4.541 4.740 0.001 0.000 0.250 112 N C 0.389 175.936 175.510 0.061 0.000 1.133 112 N CA 1.064 54.184 53.050 0.117 0.000 0.732 112 N CB -0.998 37.552 38.487 0.106 0.000 1.107 112 N HN 0.491 nan 8.380 nan 0.000 0.559 113 A N 0.420 123.240 122.820 0.000 0.000 2.302 113 A HA 0.470 4.791 4.320 0.001 0.000 0.285 113 A C 0.571 178.084 177.584 -0.117 0.000 1.105 113 A CA -0.315 51.688 52.037 -0.056 0.000 0.816 113 A CB 0.790 19.737 19.000 -0.088 0.000 1.067 113 A HN 0.087 nan 8.150 nan 0.000 0.489 114 K N 2.079 122.431 120.400 -0.079 0.000 2.253 114 K HA 0.423 4.743 4.320 0.001 0.000 0.277 114 K C -2.980 173.555 176.600 -0.108 0.000 1.053 114 K CA -2.024 54.222 56.287 -0.069 0.000 0.892 114 K CB 0.886 33.384 32.500 -0.004 0.000 1.102 114 K HN 0.304 nan 8.250 nan 0.000 0.469 115 P HA 0.073 nan 4.420 nan 0.000 0.272 115 P C -0.181 177.097 177.300 -0.037 0.000 1.240 115 P CA -0.452 62.573 63.100 -0.124 0.000 0.791 115 P CB 0.580 32.197 31.700 -0.137 0.000 0.978 116 V N 1.964 121.865 119.914 -0.022 0.000 2.785 116 V HA 0.057 4.178 4.120 0.001 0.000 0.300 116 V C 1.226 177.334 176.094 0.024 0.000 1.062 116 V CA 0.154 62.460 62.300 0.010 0.000 1.029 116 V CB 0.903 32.738 31.823 0.019 0.000 1.024 116 V HN 0.559 nan 8.190 nan 0.000 0.477 117 D N 1.492 121.916 120.400 0.039 0.000 2.183 117 D HA -0.018 4.623 4.640 0.001 0.000 0.203 117 D C 0.685 177.004 176.300 0.033 0.000 0.969 117 D CA 1.169 55.193 54.000 0.041 0.000 0.842 117 D CB 0.578 41.407 40.800 0.047 0.000 0.957 117 D HN 0.724 nan 8.370 nan 0.000 0.484 118 E N 0.156 120.383 120.200 0.044 0.000 2.278 118 E HA 0.321 4.671 4.350 0.001 0.000 0.272 118 E C -1.546 175.028 176.600 -0.043 0.000 0.890 118 E CA -0.436 55.955 56.400 -0.016 0.000 0.770 118 E CB 2.358 32.060 29.700 0.004 0.000 1.212 118 E HN -0.315 nan 8.360 nan 0.000 0.415 119 V N 4.956 124.796 119.914 -0.123 0.000 2.432 119 V HA 0.266 4.386 4.120 0.001 0.000 0.275 119 V C -0.931 175.023 176.094 -0.234 0.000 1.043 119 V CA -0.158 62.094 62.300 -0.079 0.000 0.925 119 V CB 0.421 32.253 31.823 0.015 0.000 0.985 119 V HN 0.575 nan 8.190 nan 0.000 0.466 120 Y N 4.088 124.410 120.300 0.037 0.000 2.335 120 Y HA 0.504 5.055 4.550 0.001 0.000 0.338 120 Y C -0.173 175.733 175.900 0.010 0.000 0.977 120 Y CA -0.565 57.563 58.100 0.047 0.000 1.114 120 Y CB 1.279 39.741 38.460 0.002 0.000 1.182 120 Y HN 0.519 nan 8.280 nan 0.000 0.463 121 Y N 3.463 123.816 120.300 0.089 0.000 2.301 121 Y HA 0.396 4.946 4.550 0.001 0.000 0.325 121 Y C 0.058 175.942 175.900 -0.027 0.000 1.203 121 Y CA -0.377 57.750 58.100 0.046 0.000 1.255 121 Y CB 0.828 39.310 38.460 0.037 0.000 1.232 121 Y HN 0.439 nan 8.280 nan 0.000 0.501 122 M N 2.338 121.923 119.600 -0.026 0.000 2.796 122 M HA 0.532 5.012 4.480 0.001 0.000 0.303 122 M C -0.977 175.237 176.300 -0.144 0.000 1.240 122 M CA -0.923 54.320 55.300 -0.095 0.000 0.831 122 M CB 2.061 34.615 32.600 -0.077 0.000 1.750 122 M HN 0.493 nan 8.290 nan 0.000 0.484 123 R N 0.739 121.077 120.500 -0.271 0.000 2.435 123 R HA 0.419 4.760 4.340 0.001 0.000 0.308 123 R C -0.704 175.560 176.300 -0.060 0.000 0.975 123 R CA -0.596 55.292 56.100 -0.353 0.000 0.867 123 R CB 2.191 31.865 30.300 -1.044 0.000 1.171 123 R HN 0.496 nan 8.270 nan 0.000 0.470 124 K N 4.437 124.879 120.400 0.070 0.000 2.248 124 K HA 0.257 4.578 4.320 0.001 0.000 0.281 124 K C 0.108 176.824 176.600 0.193 0.000 1.054 124 K CA -0.600 55.755 56.287 0.113 0.000 0.903 124 K CB 0.716 33.272 32.500 0.093 0.000 1.077 124 K HN 0.400 nan 8.250 nan 0.000 0.474 125 I N 4.317 125.001 120.570 0.190 0.000 2.692 125 I HA 0.040 4.211 4.170 0.001 0.000 0.284 125 I C 0.085 176.289 176.117 0.146 0.000 1.159 125 I CA -0.189 61.240 61.300 0.216 0.000 1.423 125 I CB 0.931 39.030 38.000 0.165 0.000 1.380 125 I HN 0.285 nan 8.210 nan 0.000 0.580 126 V N 7.301 127.293 119.914 0.130 0.000 2.443 126 V HA 0.303 4.423 4.120 0.001 0.000 0.293 126 V C 1.031 177.156 176.094 0.051 0.000 1.021 126 V CA -0.449 61.891 62.300 0.068 0.000 0.848 126 V CB 1.829 33.671 31.823 0.032 0.000 0.998 126 V HN 0.590 nan 8.190 nan 0.000 0.424 127 I N 1.712 122.316 120.570 0.057 0.000 2.133 127 I HA -0.148 4.022 4.170 0.001 0.000 0.238 127 I C 2.028 178.183 176.117 0.063 0.000 1.074 127 I CA 1.527 62.876 61.300 0.082 0.000 1.342 127 I CB -0.148 37.905 38.000 0.088 0.000 1.053 127 I HN 0.674 nan 8.210 nan 0.000 0.404 128 D N 0.987 121.394 120.400 0.012 0.000 2.569 128 D HA -0.289 4.352 4.640 0.001 0.000 0.191 128 D C 1.670 177.784 176.300 -0.311 0.000 1.042 128 D CA 2.606 56.579 54.000 -0.045 0.000 0.873 128 D CB -0.496 40.283 40.800 -0.036 0.000 0.946 128 D HN 0.608 nan 8.370 nan 0.000 0.467 129 G N -2.137 106.387 108.800 -0.461 0.000 2.184 129 G HA2 -0.266 3.695 3.960 0.001 0.000 0.206 129 G HA3 -0.266 3.695 3.960 0.001 0.000 0.206 129 G C 1.031 175.366 174.900 -0.943 0.000 0.995 129 G CA 0.882 45.434 45.100 -0.912 0.000 0.651 129 G HN 0.538 nan 8.290 nan 0.000 0.511 130 S N -0.516 114.682 115.700 -0.837 0.000 2.555 130 S HA 0.152 4.623 4.470 0.001 0.000 0.230 130 S C 0.637 174.978 174.600 -0.433 0.000 0.978 130 S CA 0.594 58.238 58.200 -0.927 0.000 0.934 130 S CB 0.218 63.217 63.200 -0.335 0.000 0.766 130 S HN 0.411 nan 8.310 nan 0.000 0.533 131 N N 1.154 119.680 118.700 -0.290 0.000 2.569 131 N HA 0.315 5.056 4.740 0.001 0.000 0.254 131 N C 0.582 175.976 175.510 -0.193 0.000 1.004 131 N CA -0.168 52.781 53.050 -0.169 0.000 0.904 131 N CB 2.045 40.468 38.487 -0.107 0.000 1.165 131 N HN -0.032 nan 8.380 nan 0.000 0.513 132 V N 1.598 121.383 119.914 -0.214 0.000 2.317 132 V HA -0.243 3.878 4.120 0.001 0.000 0.251 132 V C 1.864 177.800 176.094 -0.263 0.000 1.065 132 V CA 1.875 63.995 62.300 -0.301 0.000 1.049 132 V CB -0.192 31.410 31.823 -0.368 0.000 0.651 132 V HN 0.582 nan 8.190 nan 0.000 0.450 133 S N -0.884 114.586 115.700 -0.383 0.000 2.561 133 S HA 0.191 4.661 4.470 0.001 0.000 0.225 133 S C 1.632 175.758 174.600 -0.790 0.000 0.977 133 S CA 0.861 58.670 58.200 -0.652 0.000 0.926 133 S CB 0.272 62.864 63.200 -1.013 0.000 0.769 133 S HN 0.966 nan 8.310 nan 0.000 0.533 134 G N 1.159 109.687 108.800 -0.452 0.000 2.175 134 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 134 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 134 G C -0.066 174.788 174.900 -0.078 0.000 0.982 134 G CA 0.343 45.321 45.100 -0.204 0.000 0.641 134 G HN 0.653 nan 8.290 nan 0.000 0.527 135 F N -1.542 118.429 119.950 0.036 0.000 2.686 135 F HA 0.804 5.332 4.527 0.002 0.000 0.311 135 F C -0.699 175.122 175.800 0.035 0.000 1.128 135 F CA -1.714 56.312 58.000 0.043 0.000 0.946 135 F CB 1.147 40.188 39.000 0.067 0.000 1.336 135 F HN 0.209 nan 8.300 nan 0.000 0.457 136 Q N 2.066 122.086 119.800 0.367 0.000 2.293 136 Q HA 0.523 4.864 4.340 0.001 0.000 0.261 136 Q C -1.174 175.008 176.000 0.302 0.000 0.960 136 Q CA -0.793 55.176 55.803 0.277 0.000 0.882 136 Q CB 1.578 30.413 28.738 0.163 0.000 1.275 136 Q HN 0.860 nan 8.270 nan 0.000 0.445 137 R N 2.449 123.152 120.500 0.340 0.000 2.234 137 R HA 0.335 4.676 4.340 0.001 0.000 0.324 137 R C -0.560 176.011 176.300 0.451 0.000 1.054 137 R CA 0.164 56.480 56.100 0.360 0.000 0.912 137 R CB 1.254 31.727 30.300 0.289 0.000 1.030 137 R HN 0.644 nan 8.270 nan 0.000 0.455 138 T N 0.482 115.168 114.554 0.220 0.000 2.883 138 T HA 0.861 5.212 4.350 0.001 0.000 0.284 138 T C -0.924 173.465 174.700 -0.518 0.000 1.041 138 T CA -0.884 61.209 62.100 -0.013 0.000 1.007 138 T CB 2.036 70.901 68.868 -0.004 0.000 1.220 138 T HN 0.644 nan 8.240 nan 0.000 0.552 139 A N 0.756 123.285 122.820 -0.485 0.000 2.580 139 A HA 0.561 4.882 4.320 0.001 0.000 0.301 139 A C -1.387 176.041 177.584 -0.260 0.000 1.054 139 A CA -0.746 50.948 52.037 -0.571 0.000 0.751 139 A CB 0.519 18.764 19.000 -1.257 0.000 1.275 139 A HN 0.767 nan 8.150 nan 0.000 0.403 140 I N 2.976 123.454 120.570 -0.154 0.000 2.474 140 I HA 0.245 4.416 4.170 0.001 0.000 0.287 140 I C 0.599 176.674 176.117 -0.070 0.000 1.048 140 I CA 0.071 61.322 61.300 -0.083 0.000 1.383 140 I CB 1.087 39.060 38.000 -0.046 0.000 1.412 140 I HN 0.699 nan 8.210 nan 0.000 0.531 141 I N 4.949 125.483 120.570 -0.060 0.000 4.124 141 I HA 0.283 4.453 4.170 0.001 0.000 0.311 141 I C 0.546 176.625 176.117 -0.064 0.000 1.259 141 I CA 0.211 61.480 61.300 -0.052 0.000 1.315 141 I CB 0.660 38.631 38.000 -0.048 0.000 1.223 141 I HN 0.586 nan 8.210 nan 0.000 0.441 142 A N 0.695 123.473 122.820 -0.071 0.000 2.574 142 A HA 0.672 4.993 4.320 0.001 0.000 0.297 142 A C -0.362 177.185 177.584 -0.062 0.000 1.062 142 A CA -0.320 51.665 52.037 -0.087 0.000 0.686 142 A CB 1.216 20.129 19.000 -0.144 0.000 1.285 142 A HN 0.121 nan 8.150 nan 0.000 0.403 143 T N -1.416 113.108 114.554 -0.050 0.000 2.910 143 T HA 0.642 4.993 4.350 0.001 0.000 0.287 143 T C -0.689 173.997 174.700 -0.023 0.000 1.050 143 T CA -0.227 61.854 62.100 -0.031 0.000 1.011 143 T CB 1.045 69.902 68.868 -0.018 0.000 1.195 143 T HN 0.779 nan 8.240 nan 0.000 0.540 144 D N 0.541 120.935 120.400 -0.011 0.000 3.060 144 D HA -0.115 4.525 4.640 0.001 0.000 0.209 144 D C 0.493 176.796 176.300 0.005 0.000 1.232 144 D CA 1.167 55.167 54.000 0.001 0.000 0.841 144 D CB -1.115 39.688 40.800 0.006 0.000 0.863 144 D HN 0.934 nan 8.370 nan 0.000 0.389 145 G N 0.697 109.502 108.800 0.007 0.000 2.552 145 G HA2 0.706 4.667 3.960 0.001 0.000 0.324 145 G HA3 0.706 4.667 3.960 0.001 0.000 0.324 145 G C -0.190 174.735 174.900 0.043 0.000 1.217 145 G CA -0.752 44.362 45.100 0.022 0.000 0.989 145 G HN 0.352 nan 8.290 nan 0.000 0.490 146 K N -2.113 118.329 120.400 0.070 0.000 2.555 146 K HA 0.684 5.005 4.320 0.001 0.000 0.279 146 K C -1.995 174.670 176.600 0.109 0.000 0.986 146 K CA -0.919 55.412 56.287 0.073 0.000 0.880 146 K CB 2.327 34.858 32.500 0.051 0.000 1.474 146 K HN 0.312 nan 8.250 nan 0.000 0.433 147 V N 1.624 121.588 119.914 0.084 0.000 2.419 147 V HA 0.210 4.331 4.120 0.001 0.000 0.287 147 V C -0.869 175.202 176.094 -0.038 0.000 1.017 147 V CA -0.652 61.680 62.300 0.053 0.000 0.844 147 V CB 1.140 33.068 31.823 0.174 0.000 1.011 147 V HN 0.808 nan 8.190 nan 0.000 0.429 148 E N 2.257 122.383 120.200 -0.123 0.000 2.414 148 E HA 0.429 4.779 4.350 0.001 0.000 0.263 148 E C 0.063 176.617 176.600 -0.076 0.000 1.000 148 E CA 0.803 57.150 56.400 -0.089 0.000 0.914 148 E CB 0.917 30.546 29.700 -0.118 0.000 0.948 148 E HN 0.726 nan 8.360 nan 0.000 0.444 149 T N 3.104 117.664 114.554 0.010 0.000 2.864 149 T HA 0.338 4.688 4.350 0.001 0.000 0.299 149 T C -2.053 172.699 174.700 0.088 0.000 1.166 149 T CA -1.629 60.525 62.100 0.090 0.000 1.007 149 T CB 1.279 70.262 68.868 0.191 0.000 1.219 149 T HN 0.205 nan 8.240 nan 0.000 0.506 150 P HA -0.004 nan 4.420 nan 0.000 0.216 150 P C 0.927 178.048 177.300 -0.298 0.000 1.150 150 P CA 1.182 64.083 63.100 -0.332 0.000 0.837 150 P CB 0.114 31.260 31.700 -0.923 0.000 0.786 151 W N -0.521 120.737 121.300 -0.069 0.000 3.256 151 W HA 0.408 5.068 4.660 0.001 0.000 0.269 151 W C 0.726 177.291 176.519 0.077 0.000 1.310 151 W CA 0.420 57.757 57.345 -0.014 0.000 1.673 151 W CB -0.076 29.303 29.460 -0.134 0.000 1.115 151 W HN -0.016 nan 8.180 nan 0.000 0.686 152 G N 0.090 109.038 108.800 0.245 0.000 2.371 152 G HA2 0.197 4.158 3.960 0.001 0.000 0.663 152 G HA3 0.197 4.158 3.960 0.001 0.000 0.663 152 G C -1.220 173.769 174.900 0.148 0.000 1.311 152 G CA -0.731 44.482 45.100 0.188 0.000 0.985 152 G HN 0.189 nan 8.290 nan 0.000 0.566 153 A N -0.910 121.975 122.820 0.109 0.000 2.354 153 A HA 0.736 5.056 4.320 0.001 0.000 0.269 153 A C 0.232 177.870 177.584 0.090 0.000 1.109 153 A CA -0.062 52.020 52.037 0.076 0.000 0.800 153 A CB 1.109 20.140 19.000 0.051 0.000 1.045 153 A HN 1.811 nan 8.150 nan 0.000 0.489 154 V N 2.144 122.099 119.914 0.068 0.000 2.448 154 V HA 0.599 4.719 4.120 0.001 0.000 0.295 154 V C 0.882 177.007 176.094 0.052 0.000 1.025 154 V CA -0.170 62.167 62.300 0.061 0.000 0.859 154 V CB 1.585 33.433 31.823 0.042 0.000 0.988 154 V HN 1.155 nan 8.190 nan 0.000 0.431 155 G N 3.857 112.684 108.800 0.045 0.000 2.400 155 G HA2 0.614 4.575 3.960 0.001 0.000 0.301 155 G HA3 0.614 4.575 3.960 0.001 0.000 0.301 155 G C -0.920 173.996 174.900 0.026 0.000 1.154 155 G CA -0.413 44.709 45.100 0.036 0.000 0.852 155 G HN 0.530 nan 8.290 nan 0.000 0.511 156 I N 3.265 123.849 120.570 0.023 0.000 2.337 156 I HA 0.295 4.466 4.170 0.001 0.000 0.285 156 I C -1.643 174.473 176.117 -0.002 0.000 1.041 156 I CA -2.197 59.108 61.300 0.008 0.000 1.199 156 I CB 2.275 40.280 38.000 0.009 0.000 1.370 156 I HN 0.279 nan 8.210 nan 0.000 0.470 157 P HA -0.008 nan 4.420 nan 0.000 0.215 157 P C -0.173 177.116 177.300 -0.018 0.000 1.157 157 P CA 1.194 64.289 63.100 -0.009 0.000 0.859 157 P CB 0.278 31.973 31.700 -0.007 0.000 0.786 158 T N -0.620 113.919 114.554 -0.025 0.000 2.907 158 T HA 0.675 5.026 4.350 0.001 0.000 0.292 158 T C -0.384 174.291 174.700 -0.043 0.000 1.043 158 T CA -0.500 61.581 62.100 -0.032 0.000 1.003 158 T CB 1.763 70.614 68.868 -0.029 0.000 1.084 158 T HN -0.220 nan 8.240 nan 0.000 0.483 159 I N 1.195 121.737 120.570 -0.048 0.000 2.534 159 I HA 0.402 4.572 4.170 0.001 0.000 0.286 159 I C -0.895 175.194 176.117 -0.048 0.000 1.094 159 I CA -0.645 60.623 61.300 -0.053 0.000 1.055 159 I CB 1.503 39.464 38.000 -0.065 0.000 1.225 159 I HN 0.616 nan 8.210 nan 0.000 0.435 160 C N 5.537 124.817 119.300 -0.034 0.000 2.614 160 C HA 0.655 5.116 4.460 0.001 0.000 0.320 160 C C -0.356 174.634 174.990 0.000 0.000 1.200 160 C CA -0.657 58.344 59.018 -0.029 0.000 1.700 160 C CB 1.921 29.651 27.740 -0.017 0.000 2.275 160 C HN 0.576 nan 8.230 nan 0.000 0.492 161 L N 3.891 125.113 121.223 -0.001 0.000 2.324 161 L HA 0.507 4.848 4.340 0.001 0.000 0.274 161 L C 0.110 177.057 176.870 0.129 0.000 1.012 161 L CA 0.316 55.192 54.840 0.060 0.000 0.859 161 L CB 0.006 42.109 42.059 0.073 0.000 1.224 161 L HN 0.915 nan 8.230 nan 0.000 0.429 162 E N 2.658 122.945 120.200 0.144 0.000 2.412 162 E HA 0.546 4.896 4.350 0.001 0.000 0.255 162 E C -1.156 175.570 176.600 0.210 0.000 0.933 162 E CA -0.984 55.546 56.400 0.216 0.000 0.823 162 E CB 1.348 31.136 29.700 0.147 0.000 1.352 162 E HN 0.504 nan 8.360 nan 0.000 0.406 163 E N 0.398 120.744 120.200 0.243 0.000 2.231 163 E HA 0.166 4.516 4.350 0.001 0.000 0.277 163 E C -0.970 175.685 176.600 0.092 0.000 0.999 163 E CA -0.665 55.852 56.400 0.196 0.000 0.827 163 E CB 1.225 31.107 29.700 0.305 0.000 1.101 163 E HN 0.332 nan 8.360 nan 0.000 0.393 164 D N 1.147 121.566 120.400 0.031 0.000 2.210 164 D HA 0.313 4.953 4.640 0.001 0.000 0.249 164 D C -0.460 175.827 176.300 -0.023 0.000 1.062 164 D CA -0.279 53.711 54.000 -0.017 0.000 0.891 164 D CB 1.444 42.222 40.800 -0.036 0.000 1.186 164 D HN 0.467 nan 8.370 nan 0.000 0.432 165 A N 2.208 125.010 122.820 -0.031 0.000 2.262 165 A HA 0.578 4.899 4.320 0.001 0.000 0.273 165 A C 0.187 177.747 177.584 -0.039 0.000 1.202 165 A CA 0.111 52.124 52.037 -0.040 0.000 0.811 165 A CB -0.062 18.907 19.000 -0.052 0.000 1.159 165 A HN 0.626 nan 8.150 nan 0.000 0.505 166 A N -0.695 122.100 122.820 -0.043 0.000 2.257 166 A HA 0.599 4.920 4.320 0.001 0.000 0.289 166 A C 0.271 177.923 177.584 0.114 0.000 1.095 166 A CA -0.606 51.442 52.037 0.019 0.000 0.836 166 A CB 0.198 19.224 19.000 0.043 0.000 1.111 166 A HN 0.738 nan 8.150 nan 0.000 0.497 167 R N 0.357 120.922 120.500 0.108 0.000 2.347 167 R HA 0.334 4.675 4.340 0.001 0.000 0.304 167 R C -0.478 175.881 176.300 0.099 0.000 1.072 167 R CA 0.030 56.179 56.100 0.081 0.000 0.980 167 R CB 0.378 30.686 30.300 0.013 0.000 0.986 167 R HN 0.578 nan 8.270 nan 0.000 0.448 168 I N 4.005 124.578 120.570 0.004 0.000 2.634 168 I HA -0.064 4.107 4.170 0.001 0.000 0.284 168 I C 1.018 177.007 176.117 -0.214 0.000 1.124 168 I CA 0.164 61.305 61.300 -0.266 0.000 1.417 168 I CB 0.711 38.553 38.000 -0.265 0.000 1.396 168 I HN 0.636 nan 8.210 nan 0.000 0.571 169 I N 2.605 123.004 120.570 -0.285 0.000 4.197 169 I HA 0.229 4.400 4.170 0.001 0.000 0.307 169 I C 0.528 176.537 176.117 -0.180 0.000 1.236 169 I CA 0.656 61.843 61.300 -0.187 0.000 1.321 169 I CB 0.224 38.125 38.000 -0.165 0.000 1.309 169 I HN 0.646 nan 8.210 nan 0.000 0.450 170 E N 0.981 121.043 120.200 -0.231 0.000 2.381 170 E HA 0.320 4.670 4.350 0.001 0.000 0.286 170 E C -0.571 175.906 176.600 -0.204 0.000 0.960 170 E CA -0.475 55.819 56.400 -0.178 0.000 0.793 170 E CB 1.727 31.346 29.700 -0.135 0.000 1.225 170 E HN -0.062 nan 8.360 nan 0.000 0.420 171 R N 3.599 124.008 120.500 -0.151 0.000 3.585 171 R HA 0.237 4.577 4.340 0.001 0.000 0.324 171 R C -0.292 175.961 176.300 -0.078 0.000 1.372 171 R CA -0.334 55.688 56.100 -0.129 0.000 1.291 171 R CB 0.320 30.555 30.300 -0.108 0.000 1.470 171 R HN 0.338 nan 8.270 nan 0.000 0.633 172 K N 0.899 121.254 120.400 -0.074 0.000 2.402 172 K HA -0.061 4.260 4.320 0.001 0.000 0.265 172 K C 0.350 176.932 176.600 -0.030 0.000 0.978 172 K CA 0.298 56.556 56.287 -0.048 0.000 0.913 172 K CB 0.505 32.977 32.500 -0.046 0.000 0.954 172 K HN 0.123 nan 8.250 nan 0.000 0.511 173 D N 1.397 121.785 120.400 -0.019 0.000 2.350 173 D HA 0.012 4.652 4.640 0.001 0.000 0.249 173 D C -0.102 176.195 176.300 -0.005 0.000 1.119 173 D CA 0.344 54.339 54.000 -0.008 0.000 0.886 173 D CB 0.602 41.398 40.800 -0.007 0.000 1.195 173 D HN 0.441 nan 8.370 nan 0.000 0.437 174 K N 1.272 121.675 120.400 0.005 0.000 3.209 174 K HA -0.253 4.068 4.320 0.001 0.000 0.289 174 K C -0.349 176.251 176.600 -0.000 0.000 1.191 174 K CA 0.997 57.284 56.287 -0.000 0.000 0.851 174 K CB -0.817 31.674 32.500 -0.014 0.000 1.242 174 K HN 0.695 nan 8.250 nan 0.000 0.480 175 E N 0.230 120.439 120.200 0.014 0.000 2.531 175 E HA 0.212 4.563 4.350 0.001 0.000 0.323 175 E C -1.516 175.087 176.600 0.006 0.000 0.908 175 E CA -0.590 55.819 56.400 0.015 0.000 0.792 175 E CB 1.512 31.203 29.700 -0.014 0.000 1.360 175 E HN 0.009 nan 8.360 nan 0.000 0.394 176 V N 5.822 125.772 119.914 0.060 0.000 2.459 176 V HA 0.492 4.612 4.120 0.001 0.000 0.295 176 V C 0.247 176.216 176.094 -0.208 0.000 1.029 176 V CA -0.608 61.639 62.300 -0.088 0.000 0.874 176 V CB 1.491 33.281 31.823 -0.055 0.000 0.985 176 V HN 0.632 nan 8.190 nan 0.000 0.438 177 I N 4.842 125.204 120.570 -0.346 0.000 2.392 177 I HA 0.494 4.665 4.170 0.001 0.000 0.295 177 I C -1.009 174.805 176.117 -0.506 0.000 0.985 177 I CA -0.451 60.644 61.300 -0.342 0.000 1.221 177 I CB 1.277 39.137 38.000 -0.234 0.000 1.366 177 I HN 0.523 nan 8.210 nan 0.000 0.467 178 Y N 4.097 124.187 120.300 -0.351 0.000 2.512 178 Y HA 0.514 5.064 4.550 0.000 0.000 0.348 178 Y C -0.112 175.691 175.900 -0.161 0.000 0.990 178 Y CA -0.878 57.072 58.100 -0.249 0.000 1.033 178 Y CB 2.037 40.339 38.460 -0.264 0.000 1.259 178 Y HN 0.443 nan 8.280 nan 0.000 0.461 179 R N 2.430 122.979 120.500 0.082 0.000 2.338 179 R HA 0.456 4.796 4.340 0.001 0.000 0.317 179 R C -0.094 176.240 176.300 0.057 0.000 0.968 179 R CA -0.284 55.827 56.100 0.018 0.000 0.849 179 R CB 0.703 30.986 30.300 -0.028 0.000 1.128 179 R HN 0.919 nan 8.270 nan 0.000 0.448 180 L N 2.931 124.181 121.223 0.044 0.000 2.156 180 L HA -0.140 4.200 4.340 0.001 0.000 0.208 180 L C 1.706 178.568 176.870 -0.012 0.000 1.095 180 L CA 1.064 55.935 54.840 0.051 0.000 0.770 180 L CB -0.466 41.649 42.059 0.093 0.000 0.914 180 L HN 0.784 nan 8.230 nan 0.000 0.439 181 D N 0.664 121.048 120.400 -0.027 0.000 2.200 181 D HA -0.345 4.295 4.640 0.001 0.000 0.192 181 D C 2.054 178.309 176.300 -0.074 0.000 1.008 181 D CA 1.864 55.837 54.000 -0.045 0.000 0.872 181 D CB -0.469 40.308 40.800 -0.038 0.000 0.923 181 D HN 0.253 nan 8.370 nan 0.000 0.447 182 R N -0.525 119.939 120.500 -0.060 0.000 2.115 182 R HA 0.012 4.353 4.340 0.001 0.000 0.230 182 R C 0.656 176.882 176.300 -0.123 0.000 1.111 182 R CA -0.146 55.910 56.100 -0.072 0.000 0.976 182 R CB -0.411 29.866 30.300 -0.038 0.000 0.870 182 R HN 0.266 nan 8.270 nan 0.000 0.445 183 L N 0.796 121.937 121.223 -0.137 0.000 2.559 183 L HA 0.110 4.450 4.340 0.001 0.000 0.274 183 L C 0.852 177.387 176.870 -0.559 0.000 1.205 183 L CA 1.717 56.428 54.840 -0.215 0.000 0.907 183 L CB 0.976 42.967 42.059 -0.113 0.000 1.153 183 L HN 0.518 nan 8.230 nan 0.000 0.490 184 G N 4.124 112.631 108.800 -0.488 0.000 2.213 184 G HA2 -0.253 3.708 3.960 0.001 0.000 0.236 184 G HA3 -0.253 3.708 3.960 0.001 0.000 0.236 184 G C 0.438 175.179 174.900 -0.266 0.000 0.991 184 G CA 0.055 44.756 45.100 -0.665 0.000 0.629 184 G HN 0.647 nan 8.290 nan 0.000 0.517 185 I N 3.097 123.548 120.570 -0.199 0.000 2.683 185 I HA 0.168 4.339 4.170 0.001 0.000 0.286 185 I C -1.543 174.544 176.117 -0.050 0.000 1.175 185 I CA -1.522 59.715 61.300 -0.105 0.000 1.429 185 I CB 0.726 38.677 38.000 -0.081 0.000 1.371 185 I HN -0.044 nan 8.210 nan 0.000 0.569 186 P HA 0.103 nan 4.420 nan 0.000 0.267 186 P C -0.944 176.363 177.300 0.011 0.000 1.200 186 P CA -0.089 63.007 63.100 -0.008 0.000 0.772 186 P CB 0.572 32.257 31.700 -0.024 0.000 0.855 187 L N 3.506 124.753 121.223 0.040 0.000 2.431 187 L HA 0.555 4.895 4.340 0.001 0.000 0.266 187 L C -1.064 175.853 176.870 0.078 0.000 0.978 187 L CA -0.616 54.260 54.840 0.059 0.000 0.822 187 L CB 1.915 44.012 42.059 0.063 0.000 1.310 187 L HN 0.207 nan 8.230 nan 0.000 0.409 188 I N 3.404 124.018 120.570 0.073 0.000 2.362 188 I HA 0.427 4.598 4.170 0.001 0.000 0.289 188 I C -0.596 175.555 176.117 0.056 0.000 0.994 188 I CA 0.086 61.414 61.300 0.047 0.000 1.158 188 I CB 1.302 39.306 38.000 0.007 0.000 1.315 188 I HN 0.694 nan 8.210 nan 0.000 0.451 189 E N 8.323 128.544 120.200 0.035 0.000 2.165 189 E HA 0.501 4.851 4.350 0.001 0.000 0.266 189 E C -1.552 174.981 176.600 -0.113 0.000 0.889 189 E CA -0.592 55.764 56.400 -0.074 0.000 0.756 189 E CB 1.108 30.821 29.700 0.022 0.000 1.131 189 E HN 0.637 nan 8.360 nan 0.000 0.411 190 I N 3.293 123.764 120.570 -0.166 0.000 2.433 190 I HA 0.284 4.455 4.170 0.001 0.000 0.292 190 I C -0.424 175.615 176.117 -0.130 0.000 1.001 190 I CA -0.826 60.404 61.300 -0.116 0.000 1.119 190 I CB 1.956 39.899 38.000 -0.095 0.000 1.289 190 I HN 0.413 nan 8.210 nan 0.000 0.438 191 S N 2.758 118.406 115.700 -0.087 0.000 2.532 191 S HA 0.589 5.060 4.470 0.001 0.000 0.299 191 S C -0.178 174.398 174.600 -0.041 0.000 1.105 191 S CA -0.669 57.488 58.200 -0.072 0.000 1.018 191 S CB 1.807 64.972 63.200 -0.060 0.000 1.021 191 S HN 0.556 nan 8.310 nan 0.000 0.483 192 T N 2.411 116.945 114.554 -0.033 0.000 3.560 192 T HA 0.526 4.876 4.350 0.001 0.000 0.350 192 T C 0.015 174.710 174.700 -0.009 0.000 1.264 192 T CA -0.239 61.852 62.100 -0.014 0.000 0.924 192 T CB 0.032 68.891 68.868 -0.015 0.000 1.997 192 T HN 0.786 nan 8.240 nan 0.000 0.553 193 T N 1.731 116.285 114.554 -0.001 0.000 2.933 193 T HA 0.384 4.734 4.350 0.001 0.000 0.305 193 T C -2.427 172.276 174.700 0.005 0.000 1.092 193 T CA -1.067 61.036 62.100 0.005 0.000 1.008 193 T CB 1.875 70.752 68.868 0.015 0.000 1.102 193 T HN 0.147 nan 8.240 nan 0.000 0.469 194 P HA -0.015 nan 4.420 nan 0.000 0.250 194 P C 1.052 178.364 177.300 0.019 0.000 1.239 194 P CA 0.429 63.530 63.100 0.002 0.000 0.756 194 P CB -0.015 31.684 31.700 -0.001 0.000 1.013 195 D N -0.718 119.704 120.400 0.037 0.000 2.317 195 D HA -0.092 4.549 4.640 0.001 0.000 0.211 195 D C 0.747 177.139 176.300 0.154 0.000 0.966 195 D CA 0.136 54.182 54.000 0.076 0.000 0.876 195 D CB -0.363 40.482 40.800 0.074 0.000 0.927 195 D HN 0.204 nan 8.370 nan 0.000 0.519 196 I N 2.962 123.577 120.570 0.076 0.000 2.742 196 I HA -0.142 4.028 4.170 0.001 0.000 0.287 196 I C 1.100 177.227 176.117 0.017 0.000 1.186 196 I CA 0.462 61.767 61.300 0.009 0.000 1.417 196 I CB 0.325 38.276 38.000 -0.081 0.000 1.377 196 I HN 0.208 nan 8.210 nan 0.000 0.556 197 H N 5.904 124.943 119.070 -0.050 0.000 2.467 197 H HA 0.352 4.909 4.556 0.001 0.000 0.275 197 H C -0.497 174.787 175.328 -0.073 0.000 1.131 197 H CA -0.420 55.602 56.048 -0.043 0.000 0.989 197 H CB -0.047 29.736 29.762 0.035 0.000 1.696 197 H HN 0.609 nan 8.280 nan 0.000 0.574 198 H N 0.381 119.153 119.070 -0.496 0.000 3.123 198 H HA 0.173 4.730 4.556 0.001 0.000 0.346 198 H C -2.596 172.369 175.328 -0.604 0.000 1.138 198 H CA -1.305 54.388 56.048 -0.592 0.000 1.273 198 H CB 2.747 31.945 29.762 -0.940 0.000 1.926 198 H HN -0.098 nan 8.280 nan 0.000 0.524 199 P HA -0.134 nan 4.420 nan 0.000 0.216 199 P C 1.089 178.335 177.300 -0.090 0.000 1.150 199 P CA 1.232 64.207 63.100 -0.207 0.000 0.843 199 P CB 0.573 32.136 31.700 -0.228 0.000 0.787 200 E N -0.811 119.394 120.200 0.009 0.000 2.230 200 E HA -0.141 4.209 4.350 0.001 0.000 0.192 200 E C 2.019 178.258 176.600 -0.603 0.000 0.987 200 E CA 0.609 56.860 56.400 -0.248 0.000 0.841 200 E CB -0.395 29.215 29.700 -0.149 0.000 0.783 200 E HN 0.422 nan 8.360 nan 0.000 0.481 201 Q N 0.567 119.711 119.800 -1.093 0.000 2.167 201 Q HA -0.104 4.236 4.340 0.001 0.000 0.202 201 Q C 1.950 177.732 176.000 -0.362 0.000 0.970 201 Q CA 1.351 56.597 55.803 -0.929 0.000 0.855 201 Q CB 0.019 28.166 28.738 -0.984 0.000 0.911 201 Q HN 0.181 nan 8.270 nan 0.000 0.438 202 A N 1.415 124.060 122.820 -0.292 0.000 1.855 202 A HA -0.198 4.122 4.320 0.001 0.000 0.215 202 A C 2.047 179.574 177.584 -0.095 0.000 1.191 202 A CA 1.591 53.533 52.037 -0.158 0.000 0.613 202 A CB -0.606 18.307 19.000 -0.145 0.000 0.829 202 A HN 0.395 nan 8.150 nan 0.000 0.442 203 K N -0.112 120.232 120.400 -0.093 0.000 2.113 203 K HA -0.133 4.187 4.320 0.001 0.000 0.208 203 K C 1.809 178.410 176.600 0.002 0.000 1.047 203 K CA 1.698 57.964 56.287 -0.035 0.000 0.928 203 K CB -0.319 32.168 32.500 -0.021 0.000 0.716 203 K HN 0.268 nan 8.250 nan 0.000 0.446 204 V N 0.654 120.566 119.914 -0.004 0.000 2.216 204 V HA -0.261 3.860 4.120 0.001 0.000 0.243 204 V C 2.386 178.535 176.094 0.091 0.000 1.044 204 V CA 1.828 64.165 62.300 0.062 0.000 0.995 204 V CB -0.486 31.396 31.823 0.100 0.000 0.633 204 V HN 0.151 nan 8.190 nan 0.000 0.446 205 V N 0.453 120.403 119.914 0.061 0.000 2.282 205 V HA -0.329 3.791 4.120 0.001 0.000 0.249 205 V C 2.738 178.895 176.094 0.106 0.000 1.057 205 V CA 2.285 64.649 62.300 0.106 0.000 1.032 205 V CB -1.365 30.485 31.823 0.046 0.000 0.645 205 V HN 0.582 nan 8.190 nan 0.000 0.447 206 A N -0.138 122.708 122.820 0.042 0.000 1.865 206 A HA -0.307 4.013 4.320 0.001 0.000 0.217 206 A C 2.354 179.960 177.584 0.037 0.000 1.191 206 A CA 2.437 54.487 52.037 0.020 0.000 0.623 206 A CB -0.564 18.434 19.000 -0.004 0.000 0.826 206 A HN 0.568 nan 8.150 nan 0.000 0.444 207 K N -1.546 118.890 120.400 0.061 0.000 1.991 207 K HA -0.204 4.116 4.320 0.001 0.000 0.212 207 K C 1.880 178.543 176.600 0.105 0.000 1.049 207 K CA 1.838 58.167 56.287 0.070 0.000 0.932 207 K CB -0.470 32.078 32.500 0.081 0.000 0.717 207 K HN 0.311 nan 8.250 nan 0.000 0.441 208 F N 2.238 122.189 119.950 0.001 0.000 2.032 208 F HA -0.290 4.238 4.527 0.001 0.000 0.297 208 F C 1.955 177.754 175.800 -0.001 0.000 1.125 208 F CA 1.879 59.881 58.000 0.003 0.000 1.202 208 F CB -0.695 38.310 39.000 0.009 0.000 0.958 208 F HN 0.073 nan 8.300 nan 0.000 0.491 209 I N 0.316 120.776 120.570 -0.183 0.000 2.145 209 I HA -0.354 3.816 4.170 0.001 0.000 0.244 209 I C 2.785 178.764 176.117 -0.229 0.000 1.075 209 I CA 1.682 62.809 61.300 -0.288 0.000 1.332 209 I CB -1.474 36.462 38.000 -0.108 0.000 1.033 209 I HN 0.378 nan 8.210 nan 0.000 0.410 210 G N 0.436 109.167 108.800 -0.115 0.000 2.469 210 G HA2 -0.284 3.677 3.960 0.001 0.000 0.219 210 G HA3 -0.284 3.677 3.960 0.001 0.000 0.219 210 G C 1.287 176.129 174.900 -0.096 0.000 1.150 210 G CA 1.305 46.358 45.100 -0.079 0.000 0.763 210 G HN 0.344 nan 8.290 nan 0.000 0.561 211 D N 0.952 121.285 120.400 -0.112 0.000 2.097 211 D HA -0.014 4.626 4.640 0.001 0.000 0.197 211 D C 2.893 179.098 176.300 -0.158 0.000 0.984 211 D CA 1.162 55.105 54.000 -0.094 0.000 0.826 211 D CB -0.560 40.224 40.800 -0.026 0.000 0.973 211 D HN 0.300 nan 8.370 nan 0.000 0.460 212 A N 1.116 123.742 122.820 -0.325 0.000 1.948 212 A HA -0.171 4.150 4.320 0.001 0.000 0.220 212 A C 2.404 179.887 177.584 -0.169 0.000 1.177 212 A CA 1.122 52.970 52.037 -0.316 0.000 0.636 212 A CB -0.821 17.865 19.000 -0.524 0.000 0.815 212 A HN 0.219 nan 8.150 nan 0.000 0.449 213 L N -1.470 119.665 121.223 -0.147 0.000 2.109 213 L HA -0.148 4.193 4.340 0.001 0.000 0.207 213 L C 3.301 180.136 176.870 -0.058 0.000 1.086 213 L CA 1.150 55.938 54.840 -0.088 0.000 0.760 213 L CB -0.728 41.286 42.059 -0.075 0.000 0.910 213 L HN 0.527 nan 8.230 nan 0.000 0.437 214 R N 0.642 121.107 120.500 -0.058 0.000 2.092 214 R HA 0.019 4.359 4.340 0.001 0.000 0.231 214 R C 2.369 178.654 176.300 -0.026 0.000 1.119 214 R CA 1.374 57.453 56.100 -0.034 0.000 0.970 214 R CB -1.566 28.717 30.300 -0.028 0.000 0.864 214 R HN 0.444 nan 8.270 nan 0.000 0.440 215 A N 1.306 124.105 122.820 -0.036 0.000 1.986 215 A HA -0.194 4.126 4.320 0.001 0.000 0.220 215 A C 2.574 180.153 177.584 -0.010 0.000 1.171 215 A CA 2.471 54.496 52.037 -0.021 0.000 0.640 215 A CB -1.153 17.829 19.000 -0.029 0.000 0.811 215 A HN 0.761 nan 8.150 nan 0.000 0.451 216 T N -3.325 111.220 114.554 -0.016 0.000 3.051 216 T HA -0.037 4.314 4.350 0.001 0.000 0.269 216 T C 0.970 175.669 174.700 -0.001 0.000 1.127 216 T CA 1.104 63.200 62.100 -0.006 0.000 1.107 216 T CB -0.499 68.363 68.868 -0.011 0.000 0.898 216 T HN 0.528 nan 8.240 nan 0.000 0.517 217 K N 0.434 120.833 120.400 -0.002 0.000 2.938 217 K HA -0.222 4.099 4.320 0.001 0.000 0.250 217 K C 0.294 176.895 176.600 0.002 0.000 0.939 217 K CA 1.082 57.371 56.287 0.003 0.000 0.694 217 K CB -0.981 31.525 32.500 0.011 0.000 1.267 217 K HN 0.554 nan 8.250 nan 0.000 0.483 218 K N 0.077 120.476 120.400 -0.003 0.000 3.257 218 K HA 0.193 4.514 4.320 0.001 0.000 0.196 218 K C -1.345 175.251 176.600 -0.007 0.000 1.089 218 K CA -0.439 55.846 56.287 -0.003 0.000 0.959 218 K CB 1.023 33.522 32.500 -0.002 0.000 0.719 218 K HN 0.018 nan 8.250 nan 0.000 0.446 219 V N 0.903 120.812 119.914 -0.008 0.000 2.960 219 V HA 0.407 4.528 4.120 0.001 0.000 0.315 219 V C -0.496 175.593 176.094 -0.008 0.000 1.087 219 V CA -1.048 61.246 62.300 -0.010 0.000 0.982 219 V CB 2.127 33.941 31.823 -0.015 0.000 1.039 219 V HN 0.148 nan 8.190 nan 0.000 0.437 220 K N 2.671 123.066 120.400 -0.008 0.000 2.297 220 K HA 0.437 4.758 4.320 0.001 0.000 0.286 220 K C -0.392 176.205 176.600 -0.006 0.000 1.053 220 K CA -0.364 55.919 56.287 -0.007 0.000 0.940 220 K CB 1.003 33.498 32.500 -0.008 0.000 1.019 220 K HN 0.454 nan 8.250 nan 0.000 0.475 221 R N 1.915 122.412 120.500 -0.005 0.000 3.436 221 R HA 0.190 4.531 4.340 0.001 0.000 0.247 221 R C 0.238 176.536 176.300 -0.004 0.000 1.434 221 R CA -0.428 55.669 56.100 -0.004 0.000 1.543 221 R CB 0.883 31.181 30.300 -0.002 0.000 1.289 221 R HN 0.669 nan 8.270 nan 0.000 0.664 222 G N 0.270 109.067 108.800 -0.005 0.000 2.597 222 G HA2 0.353 4.314 3.960 0.001 0.000 0.317 222 G HA3 0.353 4.314 3.960 0.001 0.000 0.317 222 G C 0.752 175.649 174.900 -0.005 0.000 1.230 222 G CA -0.793 44.303 45.100 -0.006 0.000 0.996 222 G HN 0.225 nan 8.290 nan 0.000 0.490 223 L N 0.537 121.756 121.223 -0.007 0.000 1.913 223 L HA 0.114 4.455 4.340 0.001 0.000 0.217 223 L C 2.118 178.985 176.870 -0.006 0.000 1.086 223 L CA 1.300 56.136 54.840 -0.007 0.000 0.772 223 L CB -0.723 41.331 42.059 -0.009 0.000 0.887 223 L HN 0.552 nan 8.230 nan 0.000 0.432 224 G N -0.917 107.878 108.800 -0.008 0.000 3.064 224 G HA2 0.352 4.312 3.960 0.001 0.000 0.286 224 G HA3 0.352 4.312 3.960 0.001 0.000 0.286 224 G C 0.202 175.098 174.900 -0.006 0.000 0.834 224 G CA -0.045 45.051 45.100 -0.008 0.000 1.856 224 G HN 0.340 nan 8.290 nan 0.000 0.559 225 T N 1.094 115.647 114.554 -0.002 0.000 3.073 225 T HA 0.184 4.535 4.350 0.001 0.000 0.264 225 T C 0.622 175.329 174.700 0.012 0.000 0.893 225 T CA 0.052 62.153 62.100 0.001 0.000 0.863 225 T CB 0.269 69.136 68.868 -0.002 0.000 1.247 225 T HN 0.350 nan 8.240 nan 0.000 0.546 226 I N 2.730 123.308 120.570 0.013 0.000 2.390 226 I HA 0.507 4.678 4.170 0.001 0.000 0.283 226 I C -0.695 175.440 176.117 0.030 0.000 1.016 226 I CA -0.856 60.455 61.300 0.019 0.000 1.151 226 I CB 1.278 39.282 38.000 0.006 0.000 1.293 226 I HN -0.224 nan 8.210 nan 0.000 0.458 227 R N 5.408 125.944 120.500 0.061 0.000 2.255 227 R HA 0.507 4.848 4.340 0.001 0.000 0.326 227 R C -0.844 175.491 176.300 0.059 0.000 0.986 227 R CA -0.366 55.782 56.100 0.081 0.000 0.847 227 R CB 1.256 31.648 30.300 0.153 0.000 1.111 227 R HN 0.535 nan 8.270 nan 0.000 0.452 228 Q N 1.990 121.807 119.800 0.029 0.000 2.304 228 Q HA 0.373 4.714 4.340 0.001 0.000 0.270 228 Q C -1.160 174.841 176.000 0.002 0.000 1.035 228 Q CA -0.836 54.966 55.803 -0.001 0.000 0.781 228 Q CB 2.820 31.551 28.738 -0.011 0.000 1.261 228 Q HN 0.464 nan 8.270 nan 0.000 0.444 229 D N 2.114 122.508 120.400 -0.009 0.000 2.490 229 D HA 0.613 5.253 4.640 0.001 0.000 0.232 229 D C -0.777 175.510 176.300 -0.021 0.000 1.053 229 D CA -0.458 53.538 54.000 -0.006 0.000 0.914 229 D CB 2.186 42.994 40.800 0.014 0.000 1.431 229 D HN 0.297 nan 8.370 nan 0.000 0.483 230 L N 1.515 122.725 121.223 -0.021 0.000 2.370 230 L HA 0.433 4.773 4.340 0.001 0.000 0.266 230 L C -0.608 176.247 176.870 -0.026 0.000 1.002 230 L CA -0.977 53.845 54.840 -0.031 0.000 0.818 230 L CB 2.043 44.080 42.059 -0.038 0.000 1.325 230 L HN 0.346 nan 8.230 nan 0.000 0.418 231 N N 1.935 120.618 118.700 -0.030 0.000 2.461 231 N HA 0.480 5.220 4.740 0.001 0.000 0.284 231 N C -1.405 174.085 175.510 -0.034 0.000 1.049 231 N CA -0.452 52.584 53.050 -0.024 0.000 0.889 231 N CB 1.972 40.450 38.487 -0.015 0.000 1.365 231 N HN 0.224 nan 8.380 nan 0.000 0.499 232 V N 0.764 120.657 119.914 -0.037 0.000 2.667 232 V HA 0.835 4.956 4.120 0.001 0.000 0.308 232 V C 0.279 176.348 176.094 -0.041 0.000 1.048 232 V CA -0.714 61.556 62.300 -0.050 0.000 0.928 232 V CB 1.265 33.048 31.823 -0.066 0.000 1.004 232 V HN 0.959 nan 8.190 nan 0.000 0.444 233 S N 3.115 118.787 115.700 -0.047 0.000 2.596 233 S HA 0.861 5.331 4.470 0.001 0.000 0.270 233 S C -1.265 173.309 174.600 -0.043 0.000 1.155 233 S CA -0.759 57.419 58.200 -0.037 0.000 0.827 233 S CB 1.915 65.101 63.200 -0.023 0.000 1.130 233 S HN 0.553 nan 8.310 nan 0.000 0.467 234 I N 0.282 120.829 120.570 -0.039 0.000 3.074 234 I HA 0.460 4.631 4.170 0.001 0.000 0.310 234 I C -0.419 175.683 176.117 -0.025 0.000 1.153 234 I CA -1.155 60.123 61.300 -0.038 0.000 0.993 234 I CB 2.186 40.150 38.000 -0.060 0.000 1.237 234 I HN 0.591 nan 8.210 nan 0.000 0.443 235 K N 1.922 122.312 120.400 -0.018 0.000 2.436 235 K HA 0.252 4.572 4.320 0.001 0.000 0.282 235 K C 0.774 177.364 176.600 -0.017 0.000 1.044 235 K CA 0.964 57.243 56.287 -0.012 0.000 1.028 235 K CB 0.269 32.765 32.500 -0.006 0.000 0.919 235 K HN 0.971 nan 8.250 nan 0.000 0.474 236 G N 2.339 111.132 108.800 -0.013 0.000 2.143 236 G HA2 -0.243 3.718 3.960 0.001 0.000 0.248 236 G HA3 -0.243 3.718 3.960 0.001 0.000 0.248 236 G C 0.424 175.314 174.900 -0.017 0.000 0.991 236 G CA 0.115 45.208 45.100 -0.013 0.000 0.689 236 G HN 0.843 nan 8.290 nan 0.000 0.522 237 G N -0.766 108.023 108.800 -0.019 0.000 3.410 237 G HA2 0.991 4.952 3.960 0.001 0.000 0.189 237 G HA3 0.991 4.952 3.960 0.001 0.000 0.189 237 G C 0.009 174.902 174.900 -0.012 0.000 1.404 237 G CA 0.794 45.881 45.100 -0.022 0.000 0.898 237 G HN 1.854 nan 8.290 nan 0.000 0.650 238 A N -1.139 121.674 122.820 -0.012 0.000 2.594 238 A HA 0.646 4.966 4.320 0.001 0.000 0.296 238 A C -0.590 176.992 177.584 -0.004 0.000 1.056 238 A CA -0.610 51.426 52.037 -0.003 0.000 0.693 238 A CB 1.050 20.054 19.000 0.006 0.000 1.278 238 A HN 0.786 nan 8.150 nan 0.000 0.408 239 R N 1.863 122.363 120.500 0.000 0.000 2.345 239 R HA 0.473 4.813 4.340 0.001 0.000 0.331 239 R C -1.159 175.143 176.300 0.004 0.000 1.067 239 R CA 0.208 56.307 56.100 -0.001 0.000 0.962 239 R CB -0.331 29.970 30.300 0.001 0.000 0.987 239 R HN 0.543 nan 8.270 nan 0.000 0.451 240 I N 3.848 124.418 120.570 -0.001 0.000 2.378 240 I HA 0.180 4.351 4.170 0.001 0.000 0.291 240 I C -0.011 176.105 176.117 -0.001 0.000 0.992 240 I CA -0.665 60.639 61.300 0.006 0.000 1.154 240 I CB 1.946 39.950 38.000 0.006 0.000 1.315 240 I HN 0.569 nan 8.210 nan 0.000 0.448 241 E N 6.746 126.948 120.200 0.003 0.000 2.152 241 E HA 0.368 4.719 4.350 0.001 0.000 0.285 241 E C -0.754 175.840 176.600 -0.010 0.000 1.043 241 E CA -0.314 56.084 56.400 -0.004 0.000 0.839 241 E CB 1.114 30.814 29.700 -0.000 0.000 1.069 241 E HN 0.431 nan 8.360 nan 0.000 0.399 242 I N 4.946 125.508 120.570 -0.013 0.000 2.306 242 I HA 0.175 4.345 4.170 0.001 0.000 0.288 242 I C 0.295 176.403 176.117 -0.014 0.000 1.036 242 I CA -0.587 60.703 61.300 -0.016 0.000 1.221 242 I CB 0.400 38.389 38.000 -0.018 0.000 1.385 242 I HN 0.154 nan 8.210 nan 0.000 0.472 243 K N 3.961 124.351 120.400 -0.017 0.000 2.098 243 K HA 0.436 4.757 4.320 0.001 0.000 0.258 243 K C 0.619 177.212 176.600 -0.012 0.000 0.973 243 K CA -0.430 55.850 56.287 -0.012 0.000 0.898 243 K CB 1.542 34.031 32.500 -0.018 0.000 1.057 243 K HN 0.815 nan 8.250 nan 0.000 0.447 244 G N 0.675 109.473 108.800 -0.003 0.000 2.351 244 G HA2 -0.205 3.755 3.960 0.001 0.000 0.297 244 G HA3 -0.205 3.755 3.960 0.001 0.000 0.297 244 G C -0.154 174.742 174.900 -0.006 0.000 1.054 244 G CA -0.109 44.988 45.100 -0.004 0.000 1.123 244 G HN 0.262 nan 8.290 nan 0.000 0.512 245 V N 2.990 122.901 119.914 -0.005 0.000 2.408 245 V HA 0.176 4.296 4.120 0.001 0.000 0.267 245 V C 1.695 177.787 176.094 -0.005 0.000 1.047 245 V CA 0.105 62.401 62.300 -0.007 0.000 0.937 245 V CB 1.201 33.018 31.823 -0.011 0.000 0.999 245 V HN 0.762 nan 8.190 nan 0.000 0.472 246 Q N 5.110 124.907 119.800 -0.004 0.000 1.715 246 Q HA -0.126 4.215 4.340 0.001 0.000 0.372 246 Q C 0.116 176.114 176.000 -0.002 0.000 0.998 246 Q CA 1.207 57.008 55.803 -0.003 0.000 0.894 246 Q CB -0.127 28.610 28.738 -0.003 0.000 0.947 246 Q HN 0.759 nan 8.270 nan 0.000 0.407 247 E N 0.266 120.465 120.200 -0.001 0.000 2.248 247 E HA 0.190 4.540 4.350 0.001 0.000 0.272 247 E C 0.688 177.287 176.600 -0.001 0.000 1.008 247 E CA -0.347 56.053 56.400 -0.000 0.000 0.856 247 E CB 1.014 30.715 29.700 0.002 0.000 1.120 247 E HN 0.243 nan 8.360 nan 0.000 0.397 248 L N 1.773 122.997 121.223 0.001 0.000 2.189 248 L HA -0.199 4.142 4.340 0.001 0.000 0.214 248 L C 0.926 177.798 176.870 0.004 0.000 1.097 248 L CA 1.950 56.791 54.840 0.002 0.000 0.764 248 L CB -0.224 41.839 42.059 0.006 0.000 0.900 248 L HN 0.570 nan 8.230 nan 0.000 0.436 249 D N -1.252 119.152 120.400 0.007 0.000 2.347 249 D HA -0.078 4.563 4.640 0.001 0.000 0.215 249 D C 1.998 178.303 176.300 0.008 0.000 0.976 249 D CA 0.577 54.583 54.000 0.010 0.000 0.884 249 D CB 0.192 40.999 40.800 0.013 0.000 0.915 249 D HN 0.391 nan 8.370 nan 0.000 0.526 250 M N 0.286 119.888 119.600 0.003 0.000 2.447 250 M HA 0.045 4.526 4.480 0.001 0.000 0.264 250 M C 2.161 178.458 176.300 -0.004 0.000 1.095 250 M CA 0.225 55.526 55.300 0.002 0.000 1.125 250 M CB -0.237 32.363 32.600 0.000 0.000 1.389 250 M HN 0.025 nan 8.290 nan 0.000 0.459 251 I N 0.801 121.365 120.570 -0.011 0.000 2.087 251 I HA -0.298 3.872 4.170 0.001 0.000 0.240 251 I C -0.574 175.525 176.117 -0.031 0.000 1.054 251 I CA 1.962 63.247 61.300 -0.025 0.000 1.311 251 I CB -2.025 35.956 38.000 -0.031 0.000 1.024 251 I HN 0.149 nan 8.210 nan 0.000 0.402 252 P HA -0.244 nan 4.420 nan 0.000 0.215 252 P C 1.942 179.242 177.300 -0.000 0.000 1.163 252 P CA 1.785 64.878 63.100 -0.012 0.000 0.894 252 P CB -0.046 31.666 31.700 0.020 0.000 0.791 253 I N -1.384 119.194 120.570 0.013 0.000 2.202 253 I HA -0.202 3.969 4.170 0.001 0.000 0.242 253 I C 2.048 178.176 176.117 0.019 0.000 1.091 253 I CA 1.551 62.866 61.300 0.026 0.000 1.368 253 I CB -0.332 37.683 38.000 0.025 0.000 1.058 253 I HN -0.167 nan 8.210 nan 0.000 0.410 254 I N 1.189 121.761 120.570 0.002 0.000 2.208 254 I HA -0.342 3.828 4.170 0.001 0.000 0.245 254 I C 2.410 178.517 176.117 -0.017 0.000 1.097 254 I CA 1.657 62.955 61.300 -0.004 0.000 1.363 254 I CB -0.295 37.698 38.000 -0.012 0.000 1.051 254 I HN 0.282 nan 8.210 nan 0.000 0.413 255 I N 0.258 120.801 120.570 -0.044 0.000 2.614 255 I HA -0.256 3.915 4.170 0.001 0.000 0.258 255 I C 2.481 178.550 176.117 -0.081 0.000 1.189 255 I CA 1.202 62.448 61.300 -0.089 0.000 1.462 255 I CB -0.300 37.611 38.000 -0.150 0.000 1.092 255 I HN 0.343 nan 8.210 nan 0.000 0.442 256 E N 0.856 121.055 120.200 -0.002 0.000 2.102 256 E HA -0.107 4.244 4.350 0.001 0.000 0.190 256 E C 2.188 178.893 176.600 0.175 0.000 0.971 256 E CA 0.171 56.655 56.400 0.140 0.000 0.821 256 E CB 0.213 30.046 29.700 0.221 0.000 0.777 256 E HN 0.177 nan 8.360 nan 0.000 0.460 257 R N 0.804 121.365 120.500 0.102 0.000 2.241 257 R HA -0.106 4.234 4.340 0.001 0.000 0.224 257 R C 1.791 178.118 176.300 0.045 0.000 1.101 257 R CA 0.925 57.076 56.100 0.086 0.000 0.995 257 R CB -0.123 30.207 30.300 0.051 0.000 0.870 257 R HN 0.238 nan 8.270 nan 0.000 0.463 258 E N -0.016 120.193 120.200 0.015 0.000 2.057 258 E HA -0.020 4.331 4.350 0.001 0.000 0.190 258 E C 1.898 178.464 176.600 -0.056 0.000 0.969 258 E CA 0.644 57.032 56.400 -0.021 0.000 0.812 258 E CB -0.169 29.510 29.700 -0.035 0.000 0.777 258 E HN -0.082 nan 8.360 nan 0.000 0.455 259 V N 1.631 121.499 119.914 -0.076 0.000 2.453 259 V HA -0.265 3.855 4.120 0.001 0.000 0.252 259 V C 2.430 178.338 176.094 -0.311 0.000 1.068 259 V CA 2.312 64.507 62.300 -0.175 0.000 1.070 259 V CB -0.531 31.207 31.823 -0.141 0.000 0.664 259 V HN 0.398 nan 8.190 nan 0.000 0.461 260 E N 0.288 120.386 120.200 -0.170 0.000 2.028 260 E HA -0.242 4.109 4.350 0.001 0.000 0.190 260 E C 2.510 179.067 176.600 -0.072 0.000 0.984 260 E CA 1.166 57.502 56.400 -0.106 0.000 0.800 260 E CB -0.180 29.657 29.700 0.227 0.000 0.758 260 E HN 0.457 nan 8.360 nan 0.000 0.448 261 R N 0.268 120.748 120.500 -0.034 0.000 2.091 261 R HA -0.190 4.150 4.340 0.001 0.000 0.238 261 R C 2.412 178.678 176.300 -0.057 0.000 1.136 261 R CA 1.980 58.060 56.100 -0.033 0.000 0.959 261 R CB -0.090 30.199 30.300 -0.018 0.000 0.856 261 R HN 0.320 nan 8.270 nan 0.000 0.437 262 Q N -0.147 119.608 119.800 -0.075 0.000 2.167 262 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 262 Q C 2.020 177.961 176.000 -0.097 0.000 0.970 262 Q CA 0.882 56.639 55.803 -0.076 0.000 0.855 262 Q CB 0.049 28.741 28.738 -0.076 0.000 0.911 262 Q HN 0.212 nan 8.270 nan 0.000 0.438 263 L N 1.038 122.172 121.223 -0.147 0.000 2.141 263 L HA -0.125 4.216 4.340 0.001 0.000 0.209 263 L C 1.558 178.371 176.870 -0.096 0.000 1.094 263 L CA 1.548 56.294 54.840 -0.156 0.000 0.763 263 L CB -0.361 41.526 42.059 -0.287 0.000 0.908 263 L HN 0.160 nan 8.230 nan 0.000 0.437 264 N N -0.793 117.860 118.700 -0.078 0.000 2.207 264 N HA -0.062 4.679 4.740 0.001 0.000 0.182 264 N C 1.929 177.400 175.510 -0.065 0.000 1.020 264 N CA 1.084 54.100 53.050 -0.056 0.000 0.858 264 N CB -0.223 38.240 38.487 -0.040 0.000 0.991 264 N HN 0.312 nan 8.380 nan 0.000 0.427 265 L N 0.942 122.126 121.223 -0.065 0.000 2.043 265 L HA -0.163 4.178 4.340 0.001 0.000 0.212 265 L C 2.227 179.061 176.870 -0.061 0.000 1.075 265 L CA 1.015 55.816 54.840 -0.065 0.000 0.752 265 L CB -0.406 41.625 42.059 -0.048 0.000 0.891 265 L HN 0.151 nan 8.230 nan 0.000 0.432 266 L N -0.562 120.628 121.223 -0.056 0.000 2.027 266 L HA -0.203 4.137 4.340 0.001 0.000 0.206 266 L C 2.418 179.257 176.870 -0.052 0.000 1.074 266 L CA 1.245 56.056 54.840 -0.048 0.000 0.745 266 L CB -0.419 41.612 42.059 -0.046 0.000 0.898 266 L HN 0.178 nan 8.230 nan 0.000 0.433 267 K N 0.020 120.387 120.400 -0.055 0.000 2.520 267 K HA -0.117 4.203 4.320 0.001 0.000 0.197 267 K C 1.751 178.311 176.600 -0.066 0.000 1.043 267 K CA 0.931 57.188 56.287 -0.051 0.000 0.944 267 K CB -0.033 32.441 32.500 -0.043 0.000 0.770 267 K HN 0.397 nan 8.250 nan 0.000 0.480 268 I N -0.479 120.041 120.570 -0.084 0.000 2.927 268 I HA -0.093 4.077 4.170 0.001 0.000 0.268 268 I C 2.439 178.479 176.117 -0.128 0.000 1.153 268 I CA 0.137 61.364 61.300 -0.123 0.000 1.459 268 I CB -0.032 37.877 38.000 -0.151 0.000 1.149 268 I HN 0.064 nan 8.210 nan 0.000 0.443 269 R N 1.469 121.917 120.500 -0.087 0.000 2.115 269 R HA -0.176 4.165 4.340 0.001 0.000 0.230 269 R C 1.357 177.629 176.300 -0.047 0.000 1.111 269 R CA 1.934 57.998 56.100 -0.059 0.000 0.976 269 R CB -0.112 30.171 30.300 -0.028 0.000 0.870 269 R HN 0.266 nan 8.270 nan 0.000 0.445 270 D N 0.351 120.724 120.400 -0.045 0.000 2.178 270 D HA -0.130 4.510 4.640 0.001 0.000 0.202 270 D C 1.777 178.054 176.300 -0.039 0.000 0.974 270 D CA 0.780 54.760 54.000 -0.033 0.000 0.841 270 D CB -0.039 40.743 40.800 -0.030 0.000 0.953 270 D HN 0.173 nan 8.370 nan 0.000 0.478 271 E N 0.300 120.464 120.200 -0.061 0.000 2.072 271 E HA -0.085 4.265 4.350 0.001 0.000 0.191 271 E C 2.206 178.763 176.600 -0.070 0.000 0.985 271 E CA 0.479 56.838 56.400 -0.069 0.000 0.801 271 E CB -0.117 29.524 29.700 -0.097 0.000 0.750 271 E HN 0.326 nan 8.360 nan 0.000 0.452 272 L N -0.013 121.152 121.223 -0.097 0.000 2.005 272 L HA -0.142 4.199 4.340 0.001 0.000 0.207 272 L C 2.793 179.665 176.870 0.003 0.000 1.072 272 L CA 1.137 55.937 54.840 -0.067 0.000 0.744 272 L CB -0.438 41.567 42.059 -0.091 0.000 0.895 272 L HN 0.021 nan 8.230 nan 0.000 0.433 273 R N 0.264 120.765 120.500 0.001 0.000 2.103 273 R HA -0.246 4.095 4.340 0.001 0.000 0.242 273 R C 2.353 178.661 176.300 0.012 0.000 1.142 273 R CA 1.875 57.984 56.100 0.014 0.000 0.960 273 R CB -0.291 30.013 30.300 0.007 0.000 0.858 273 R HN 0.284 nan 8.270 nan 0.000 0.439 274 K N 0.912 121.312 120.400 0.000 0.000 1.991 274 K HA -0.170 4.151 4.320 0.001 0.000 0.212 274 K C 1.948 178.554 176.600 0.010 0.000 1.049 274 K CA 1.558 57.846 56.287 0.002 0.000 0.932 274 K CB -0.023 32.473 32.500 -0.007 0.000 0.717 274 K HN 0.057 nan 8.250 nan 0.000 0.441 275 R N -0.299 120.208 120.500 0.012 0.000 2.293 275 R HA -0.039 4.302 4.340 0.001 0.000 0.219 275 R C 0.424 176.749 176.300 0.042 0.000 1.091 275 R CA 0.645 56.761 56.100 0.027 0.000 1.004 275 R CB -0.361 29.959 30.300 0.034 0.000 0.865 275 R HN 0.544 nan 8.270 nan 0.000 0.469 276 G N 1.089 109.913 108.800 0.040 0.000 2.415 276 G HA2 -0.215 3.745 3.960 0.001 0.000 0.283 276 G HA3 -0.215 3.745 3.960 0.001 0.000 0.283 276 G C -0.326 174.612 174.900 0.064 0.000 1.014 276 G CA -0.076 45.050 45.100 0.045 0.000 1.323 276 G HN 0.121 nan 8.290 nan 0.000 0.502 277 V N 1.460 121.426 119.914 0.088 0.000 2.960 277 V HA 0.867 4.988 4.120 0.001 0.000 0.315 277 V C 0.327 176.476 176.094 0.092 0.000 1.087 277 V CA -0.867 61.502 62.300 0.114 0.000 0.982 277 V CB 2.269 34.228 31.823 0.226 0.000 1.039 277 V HN 0.617 nan 8.190 nan 0.000 0.437 278 K N 2.003 122.444 120.400 0.067 0.000 2.512 278 K HA 0.426 4.747 4.320 0.001 0.000 0.263 278 K C -2.361 174.254 176.600 0.025 0.000 0.966 278 K CA -1.634 54.681 56.287 0.047 0.000 0.851 278 K CB 2.374 34.892 32.500 0.029 0.000 1.395 278 K HN 0.190 nan 8.250 nan 0.000 0.440 279 P HA -0.293 nan 4.420 nan 0.000 0.216 279 P C 1.153 178.441 177.300 -0.020 0.000 1.154 279 P CA 1.908 65.009 63.100 0.002 0.000 0.865 279 P CB 0.236 31.942 31.700 0.009 0.000 0.789 280 K N -0.896 119.496 120.400 -0.013 0.000 2.228 280 K HA 0.010 4.330 4.320 0.001 0.000 0.202 280 K C 1.710 178.292 176.600 -0.029 0.000 1.051 280 K CA 1.772 58.046 56.287 -0.022 0.000 0.960 280 K CB -1.886 30.606 32.500 -0.013 0.000 0.743 280 K HN 0.340 nan 8.250 nan 0.000 0.458 281 D N 0.307 120.695 120.400 -0.021 0.000 2.379 281 D HA 0.278 4.918 4.640 0.001 0.000 0.243 281 D C 0.578 176.847 176.300 -0.051 0.000 1.088 281 D CA 0.625 54.611 54.000 -0.022 0.000 0.925 281 D CB -0.631 40.169 40.800 -0.000 0.000 0.888 281 D HN 0.567 nan 8.370 nan 0.000 0.529 282 I N 0.521 121.045 120.570 -0.075 0.000 2.778 282 I HA 0.175 4.346 4.170 0.001 0.000 0.285 282 I C -0.228 175.820 176.117 -0.115 0.000 1.236 282 I CA -0.727 60.502 61.300 -0.118 0.000 1.089 282 I CB 0.965 38.864 38.000 -0.170 0.000 1.601 282 I HN -0.037 nan 8.210 nan 0.000 0.573 283 K N 3.550 123.891 120.400 -0.097 0.000 2.489 283 K HA -0.011 4.310 4.320 0.001 0.000 0.278 283 K C 0.522 177.015 176.600 -0.179 0.000 1.000 283 K CA 0.168 56.387 56.287 -0.114 0.000 1.012 283 K CB 0.502 32.945 32.500 -0.094 0.000 0.903 283 K HN 0.504 nan 8.250 nan 0.000 0.485 284 E N 2.876 122.947 120.200 -0.216 0.000 1.979 284 E HA 0.053 4.403 4.350 0.001 0.000 0.285 284 E C -1.002 175.258 176.600 -0.567 0.000 1.188 284 E CA -0.240 55.938 56.400 -0.370 0.000 1.214 284 E CB 0.064 29.603 29.700 -0.268 0.000 1.210 284 E HN 0.375 nan 8.360 nan 0.000 0.477 285 E N 2.033 121.911 120.200 -0.537 0.000 2.183 285 E HA 0.354 4.704 4.350 0.001 0.000 0.271 285 E C -1.020 175.221 176.600 -0.598 0.000 0.919 285 E CA -0.920 55.169 56.400 -0.518 0.000 0.781 285 E CB 1.221 30.705 29.700 -0.359 0.000 1.140 285 E HN 0.331 nan 8.360 nan 0.000 0.402 286 F N 1.765 121.635 119.950 -0.133 0.000 2.436 286 F HA 0.351 4.878 4.527 0.001 0.000 0.340 286 F C -0.405 175.332 175.800 -0.105 0.000 1.113 286 F CA -0.944 57.035 58.000 -0.036 0.000 1.022 286 F CB 0.599 39.582 39.000 -0.029 0.000 1.128 286 F HN 0.368 nan 8.300 nan 0.000 0.466 287 Y N 1.043 121.414 120.300 0.118 0.000 2.323 287 Y HA 0.210 4.761 4.550 0.001 0.000 0.331 287 Y C 0.598 176.526 175.900 0.047 0.000 1.092 287 Y CA -1.160 56.973 58.100 0.054 0.000 1.150 287 Y CB 0.796 39.262 38.460 0.010 0.000 1.200 287 Y HN 0.504 nan 8.280 nan 0.000 0.472 288 D N 2.855 123.351 120.400 0.160 0.000 3.057 288 D HA 0.083 4.724 4.640 0.001 0.000 0.246 288 D C 0.642 176.993 176.300 0.084 0.000 1.238 288 D CA 0.187 54.238 54.000 0.086 0.000 0.949 288 D CB 0.246 41.072 40.800 0.044 0.000 1.086 288 D HN 0.460 nan 8.370 nan 0.000 0.487 289 V N 1.166 121.138 119.914 0.097 0.000 3.284 289 V HA -0.217 3.903 4.120 0.001 0.000 0.273 289 V C 2.358 178.552 176.094 0.166 0.000 1.178 289 V CA 1.172 63.539 62.300 0.112 0.000 1.177 289 V CB -0.972 30.914 31.823 0.104 0.000 0.793 289 V HN 0.404 nan 8.190 nan 0.000 0.536 290 T N 0.729 115.326 114.554 0.073 0.000 2.572 290 T HA -0.362 3.988 4.350 0.001 0.000 0.258 290 T C 1.579 176.376 174.700 0.162 0.000 1.154 290 T CA 2.294 64.430 62.100 0.059 0.000 1.157 290 T CB -0.541 68.333 68.868 0.009 0.000 0.856 290 T HN 0.617 nan 8.240 nan 0.000 0.443 291 D N 1.135 121.597 120.400 0.104 0.000 2.133 291 D HA -0.122 4.519 4.640 0.001 0.000 0.192 291 D C 2.057 178.406 176.300 0.082 0.000 1.001 291 D CA 1.190 55.237 54.000 0.078 0.000 0.844 291 D CB -0.527 40.299 40.800 0.042 0.000 0.944 291 D HN 0.426 nan 8.370 nan 0.000 0.447 292 I N -0.087 120.534 120.570 0.085 0.000 2.623 292 I HA -0.249 3.922 4.170 0.001 0.000 0.261 292 I C 1.341 177.329 176.117 -0.216 0.000 1.204 292 I CA 0.861 62.119 61.300 -0.070 0.000 1.444 292 I CB -0.268 37.649 38.000 -0.138 0.000 1.094 292 I HN -0.096 nan 8.210 nan 0.000 0.451 293 F N 0.394 120.311 119.950 -0.055 0.000 2.678 293 F HA 0.139 4.667 4.527 0.001 0.000 0.305 293 F C 2.428 178.203 175.800 -0.041 0.000 1.090 293 F CA 0.573 58.539 58.000 -0.056 0.000 1.272 293 F CB -0.864 38.089 39.000 -0.079 0.000 1.060 293 F HN 0.022 nan 8.300 nan 0.000 0.576 294 E N 0.570 120.834 120.200 0.107 0.000 2.169 294 E HA -0.224 4.127 4.350 0.001 0.000 0.202 294 E C 0.824 177.447 176.600 0.038 0.000 1.016 294 E CA 1.683 58.119 56.400 0.059 0.000 0.817 294 E CB -0.623 29.095 29.700 0.030 0.000 0.736 294 E HN 0.320 nan 8.360 nan 0.000 0.462 295 N N 0.743 119.450 118.700 0.013 0.000 2.851 295 N HA 0.254 4.995 4.740 0.001 0.000 0.248 295 N C -1.430 174.073 175.510 -0.012 0.000 1.221 295 N CA 0.005 53.055 53.050 0.000 0.000 0.847 295 N CB 1.586 40.065 38.487 -0.014 0.000 1.150 295 N HN 0.208 nan 8.380 nan 0.000 0.507 296 T N 0.271 114.838 114.554 0.021 0.000 2.861 296 T HA 0.234 4.585 4.350 0.001 0.000 0.287 296 T C 0.914 175.639 174.700 0.042 0.000 1.003 296 T CA -0.589 61.525 62.100 0.024 0.000 0.977 296 T CB 2.434 71.353 68.868 0.084 0.000 0.996 296 T HN 0.188 nan 8.240 nan 0.000 0.448 297 K N 1.696 122.118 120.400 0.037 0.000 2.665 297 K HA 0.167 4.488 4.320 0.001 0.000 0.214 297 K C 0.361 177.003 176.600 0.071 0.000 1.032 297 K CA -0.056 56.258 56.287 0.045 0.000 1.198 297 K CB -0.022 32.498 32.500 0.033 0.000 0.941 297 K HN 0.403 nan 8.250 nan 0.000 0.491 298 S N 0.755 116.507 115.700 0.088 0.000 2.488 298 S HA 0.196 4.667 4.470 0.001 0.000 0.310 298 S C 0.571 175.230 174.600 0.098 0.000 1.093 298 S CA -0.650 57.621 58.200 0.117 0.000 1.129 298 S CB 0.592 63.873 63.200 0.134 0.000 0.989 298 S HN 0.302 nan 8.310 nan 0.000 0.479 299 K N 3.546 124.003 120.400 0.096 0.000 2.052 299 K HA -0.216 4.105 4.320 0.001 0.000 0.215 299 K C 1.605 178.253 176.600 0.080 0.000 1.053 299 K CA 2.340 58.674 56.287 0.079 0.000 0.934 299 K CB -0.586 31.962 32.500 0.079 0.000 0.717 299 K HN 0.663 nan 8.250 nan 0.000 0.450 300 I N 1.135 121.775 120.570 0.116 0.000 2.109 300 I HA -0.397 3.773 4.170 0.001 0.000 0.233 300 I C 2.466 178.617 176.117 0.057 0.000 1.005 300 I CA 1.815 63.191 61.300 0.127 0.000 1.294 300 I CB -0.729 37.420 38.000 0.249 0.000 1.005 300 I HN 0.133 nan 8.210 nan 0.000 0.392 301 I N 0.762 121.329 120.570 -0.006 0.000 2.142 301 I HA -0.277 3.894 4.170 0.001 0.000 0.240 301 I C 2.925 179.029 176.117 -0.022 0.000 1.078 301 I CA 1.376 62.626 61.300 -0.084 0.000 1.343 301 I CB -0.723 37.170 38.000 -0.178 0.000 1.046 301 I HN 0.295 nan 8.210 nan 0.000 0.405 302 A N 1.198 124.031 122.820 0.021 0.000 1.940 302 A HA -0.287 4.034 4.320 0.001 0.000 0.221 302 A C 2.400 179.996 177.584 0.020 0.000 1.190 302 A CA 2.088 54.144 52.037 0.031 0.000 0.647 302 A CB -0.758 18.268 19.000 0.043 0.000 0.821 302 A HN 0.388 nan 8.150 nan 0.000 0.457 303 R N -0.843 119.671 120.500 0.023 0.000 2.073 303 R HA -0.081 4.260 4.340 0.001 0.000 0.234 303 R C 2.090 178.396 176.300 0.009 0.000 1.134 303 R CA 1.479 57.591 56.100 0.021 0.000 0.952 303 R CB -0.742 29.576 30.300 0.030 0.000 0.850 303 R HN 0.427 nan 8.270 nan 0.000 0.433 304 V N 1.856 121.770 119.914 0.001 0.000 2.231 304 V HA -0.311 3.810 4.120 0.001 0.000 0.248 304 V C 2.342 178.426 176.094 -0.017 0.000 1.054 304 V CA 2.118 64.411 62.300 -0.013 0.000 1.015 304 V CB -0.631 31.171 31.823 -0.035 0.000 0.638 304 V HN 0.265 nan 8.190 nan 0.000 0.444 305 I N 0.707 121.264 120.570 -0.020 0.000 2.087 305 I HA -0.324 3.847 4.170 0.001 0.000 0.240 305 I C 2.941 179.055 176.117 -0.005 0.000 1.054 305 I CA 2.540 63.832 61.300 -0.014 0.000 1.311 305 I CB -0.986 37.014 38.000 -0.001 0.000 1.024 305 I HN 0.398 nan 8.210 nan 0.000 0.402 306 K N 1.261 121.662 120.400 0.002 0.000 2.293 306 K HA -0.185 4.136 4.320 0.001 0.000 0.204 306 K C 1.765 178.366 176.600 0.001 0.000 1.045 306 K CA 1.806 58.095 56.287 0.004 0.000 0.933 306 K CB -0.918 31.587 32.500 0.009 0.000 0.736 306 K HN 0.505 nan 8.250 nan 0.000 0.463 307 K N -1.129 119.270 120.400 -0.002 0.000 2.493 307 K HA 0.297 4.617 4.320 0.001 0.000 0.207 307 K C 0.460 177.055 176.600 -0.008 0.000 1.033 307 K CA 0.182 56.467 56.287 -0.003 0.000 1.161 307 K CB 0.330 32.830 32.500 -0.001 0.000 0.873 307 K HN 0.466 nan 8.250 nan 0.000 0.491 308 G N 1.156 109.950 108.800 -0.011 0.000 2.291 308 G HA2 -0.202 3.759 3.960 0.001 0.000 0.271 308 G HA3 -0.202 3.759 3.960 0.001 0.000 0.271 308 G C 0.035 174.921 174.900 -0.023 0.000 1.099 308 G CA -0.150 44.940 45.100 -0.016 0.000 0.919 308 G HN 0.454 nan 8.290 nan 0.000 0.496 309 G N -0.681 108.104 108.800 -0.026 0.000 2.482 309 G HA2 0.725 4.685 3.960 0.001 0.000 0.317 309 G HA3 0.725 4.685 3.960 0.001 0.000 0.317 309 G C -0.427 174.443 174.900 -0.049 0.000 1.241 309 G CA -0.899 44.178 45.100 -0.038 0.000 0.967 309 G HN 0.389 nan 8.290 nan 0.000 0.482 310 K N 0.377 120.740 120.400 -0.063 0.000 2.259 310 K HA 0.586 4.907 4.320 0.001 0.000 0.249 310 K C -0.890 175.646 176.600 -0.106 0.000 0.942 310 K CA -0.797 55.446 56.287 -0.073 0.000 0.816 310 K CB 2.977 35.439 32.500 -0.063 0.000 1.155 310 K HN 0.232 nan 8.250 nan 0.000 0.428 311 V N 4.292 124.121 119.914 -0.142 0.000 2.407 311 V HA 0.375 4.495 4.120 0.001 0.000 0.278 311 V C -0.237 175.774 176.094 -0.138 0.000 1.037 311 V CA -0.719 61.441 62.300 -0.233 0.000 0.900 311 V CB 0.636 32.156 31.823 -0.505 0.000 0.983 311 V HN 0.538 nan 8.190 nan 0.000 0.459 312 L N 3.917 125.090 121.223 -0.084 0.000 2.341 312 L HA 0.970 5.311 4.340 0.001 0.000 0.267 312 L C 0.099 177.008 176.870 0.066 0.000 1.009 312 L CA -0.655 54.204 54.840 0.032 0.000 0.819 312 L CB 1.982 44.087 42.059 0.076 0.000 1.323 312 L HN 0.699 nan 8.230 nan 0.000 0.425 313 A N 2.005 124.910 122.820 0.142 0.000 2.387 313 A HA 0.944 5.264 4.320 0.001 0.000 0.298 313 A C -1.044 176.658 177.584 0.197 0.000 1.165 313 A CA -0.550 51.551 52.037 0.107 0.000 0.814 313 A CB 1.880 20.827 19.000 -0.088 0.000 1.357 313 A HN 0.479 nan 8.150 nan 0.000 0.443 314 I N 0.038 120.686 120.570 0.131 0.000 2.802 314 I HA 0.407 4.577 4.170 0.001 0.000 0.298 314 I C -0.466 175.685 176.117 0.058 0.000 1.176 314 I CA -0.482 60.882 61.300 0.106 0.000 1.025 314 I CB 2.039 40.065 38.000 0.044 0.000 1.243 314 I HN 0.801 nan 8.210 nan 0.000 0.424 315 K N 5.730 126.157 120.400 0.045 0.000 2.263 315 K HA 0.627 4.947 4.320 0.001 0.000 0.272 315 K C -1.381 175.199 176.600 -0.033 0.000 1.033 315 K CA -0.427 55.868 56.287 0.013 0.000 0.884 315 K CB 0.855 33.381 32.500 0.044 0.000 1.107 315 K HN 0.520 nan 8.250 nan 0.000 0.460 316 L N 7.137 128.341 121.223 -0.033 0.000 2.356 316 L HA 0.350 4.690 4.340 0.001 0.000 0.264 316 L C -2.298 174.541 176.870 -0.051 0.000 1.029 316 L CA -2.363 52.377 54.840 -0.167 0.000 0.897 316 L CB 1.380 43.306 42.059 -0.221 0.000 1.256 316 L HN 0.450 nan 8.230 nan 0.000 0.444 317 P HA -0.009 nan 4.420 nan 0.000 0.258 317 P C -0.198 177.224 177.300 0.203 0.000 1.187 317 P CA 0.235 63.375 63.100 0.066 0.000 0.767 317 P CB 0.263 31.983 31.700 0.034 0.000 0.770 318 K N 1.201 121.725 120.400 0.208 0.000 3.192 318 K HA -0.194 4.127 4.320 0.001 0.000 0.278 318 K C -0.161 176.643 176.600 0.340 0.000 1.164 318 K CA 0.336 56.759 56.287 0.226 0.000 0.816 318 K CB -2.159 30.449 32.500 0.180 0.000 1.256 318 K HN 0.343 nan 8.250 nan 0.000 0.497 319 F N 0.939 120.913 119.950 0.039 0.000 2.772 319 F HA 0.214 4.741 4.527 0.001 0.000 0.302 319 F C 0.890 176.707 175.800 0.028 0.000 1.136 319 F CA -0.468 57.559 58.000 0.044 0.000 1.322 319 F CB 0.467 39.517 39.000 0.084 0.000 0.967 319 F HN -0.042 nan 8.300 nan 0.000 0.513 320 R N -0.453 120.128 120.500 0.135 0.000 2.297 320 R HA 0.481 4.822 4.340 0.001 0.000 0.308 320 R C 1.167 177.479 176.300 0.021 0.000 1.029 320 R CA 0.762 56.904 56.100 0.071 0.000 0.929 320 R CB 0.594 30.930 30.300 0.061 0.000 1.046 320 R HN 0.429 nan 8.270 nan 0.000 0.461 321 G N 2.983 111.790 108.800 0.012 0.000 2.176 321 G HA2 -0.255 3.706 3.960 0.001 0.000 0.253 321 G HA3 -0.255 3.706 3.960 0.001 0.000 0.253 321 G C 0.328 175.202 174.900 -0.044 0.000 0.979 321 G CA 0.344 45.438 45.100 -0.010 0.000 0.641 321 G HN 0.575 nan 8.290 nan 0.000 0.530 322 L N -0.578 120.602 121.223 -0.072 0.000 2.624 322 L HA 0.415 4.756 4.340 0.001 0.000 0.222 322 L C 2.668 179.433 176.870 -0.175 0.000 1.046 322 L CA 0.203 54.954 54.840 -0.149 0.000 0.872 322 L CB -0.244 41.658 42.059 -0.262 0.000 1.190 322 L HN 0.189 nan 8.230 nan 0.000 0.487 323 I N 0.816 121.307 120.570 -0.130 0.000 2.264 323 I HA -0.191 3.980 4.170 0.001 0.000 0.248 323 I C 2.150 178.090 176.117 -0.295 0.000 1.111 323 I CA 1.735 62.879 61.300 -0.261 0.000 1.382 323 I CB -0.495 37.436 38.000 -0.115 0.000 1.060 323 I HN 0.303 nan 8.210 nan 0.000 0.418 324 G N 0.545 109.312 108.800 -0.054 0.000 3.042 324 G HA2 -0.019 3.941 3.960 0.001 0.000 0.212 324 G HA3 -0.019 3.941 3.960 0.001 0.000 0.212 324 G C 0.802 175.690 174.900 -0.019 0.000 1.166 324 G CA -0.426 44.710 45.100 0.061 0.000 0.767 324 G HN 0.205 nan 8.290 nan 0.000 0.546 325 R N 1.240 121.693 120.500 -0.077 0.000 2.491 325 R HA 0.180 4.521 4.340 0.001 0.000 0.283 325 R C -0.152 176.103 176.300 -0.075 0.000 1.072 325 R CA -0.353 55.705 56.100 -0.070 0.000 1.048 325 R CB 0.402 30.649 30.300 -0.089 0.000 0.983 325 R HN 0.236 nan 8.270 nan 0.000 0.450 326 E N 5.016 125.189 120.200 -0.045 0.000 2.259 326 E HA 0.032 4.382 4.350 0.001 0.000 0.281 326 E C 0.804 177.383 176.600 -0.036 0.000 1.037 326 E CA -0.256 56.122 56.400 -0.036 0.000 0.854 326 E CB 0.669 30.361 29.700 -0.014 0.000 1.051 326 E HN 0.740 nan 8.360 nan 0.000 0.409 327 I N 0.764 121.310 120.570 -0.041 0.000 3.172 327 I HA 0.169 4.340 4.170 0.001 0.000 0.278 327 I C 0.389 176.503 176.117 -0.005 0.000 1.174 327 I CA -0.170 61.110 61.300 -0.033 0.000 1.445 327 I CB 0.213 38.182 38.000 -0.052 0.000 1.175 327 I HN 0.352 nan 8.210 nan 0.000 0.447 328 Q N 1.158 120.958 119.800 -0.001 0.000 2.397 328 Q HA 0.463 4.803 4.340 0.001 0.000 0.275 328 Q C -2.665 173.344 176.000 0.015 0.000 1.090 328 Q CA -2.226 53.587 55.803 0.017 0.000 0.809 328 Q CB 2.211 30.957 28.738 0.015 0.000 1.362 328 Q HN -0.100 nan 8.270 nan 0.000 0.431 329 P HA -0.094 nan 4.420 nan 0.000 0.253 329 P C 0.433 177.740 177.300 0.012 0.000 1.170 329 P CA 1.635 64.745 63.100 0.017 0.000 0.806 329 P CB -0.127 31.585 31.700 0.020 0.000 0.775 330 G N 2.887 111.692 108.800 0.009 0.000 2.194 330 G HA2 -0.224 3.736 3.960 0.001 0.000 0.236 330 G HA3 -0.224 3.736 3.960 0.001 0.000 0.236 330 G C 0.107 175.011 174.900 0.006 0.000 0.987 330 G CA -0.526 44.579 45.100 0.009 0.000 0.635 330 G HN 0.529 nan 8.290 nan 0.000 0.520 331 R N -0.066 120.433 120.500 -0.001 0.000 2.621 331 R HA 0.792 5.133 4.340 0.001 0.000 0.292 331 R C -0.079 176.200 176.300 -0.034 0.000 0.969 331 R CA -0.817 55.275 56.100 -0.013 0.000 0.887 331 R CB 1.665 31.959 30.300 -0.009 0.000 1.180 331 R HN 0.262 nan 8.270 nan 0.000 0.450 332 R N 0.914 121.376 120.500 -0.063 0.000 2.888 332 R HA 0.244 4.585 4.340 0.001 0.000 0.266 332 R C 0.661 176.843 176.300 -0.198 0.000 1.020 332 R CA -0.996 55.039 56.100 -0.108 0.000 0.963 332 R CB 0.918 31.165 30.300 -0.089 0.000 1.197 332 R HN 0.322 nan 8.270 nan 0.000 0.481 333 L N 1.510 122.573 121.223 -0.267 0.000 2.197 333 L HA -0.133 4.208 4.340 0.001 0.000 0.215 333 L C 1.640 178.083 176.870 -0.712 0.000 1.095 333 L CA 2.389 56.974 54.840 -0.425 0.000 0.764 333 L CB -0.724 41.064 42.059 -0.451 0.000 0.897 333 L HN 0.941 nan 8.230 nan 0.000 0.436 334 G N -2.363 106.053 108.800 -0.640 0.000 2.403 334 G HA2 -0.207 3.753 3.960 0.001 0.000 0.216 334 G HA3 -0.207 3.753 3.960 0.001 0.000 0.216 334 G C 1.415 176.133 174.900 -0.304 0.000 1.154 334 G CA 0.933 45.606 45.100 -0.712 0.000 0.784 334 G HN 0.434 nan 8.290 nan 0.000 0.538 335 T N 1.238 115.677 114.554 -0.192 0.000 2.759 335 T HA -0.080 4.270 4.350 0.001 0.000 0.269 335 T C 2.170 176.854 174.700 -0.026 0.000 1.042 335 T CA 1.333 63.392 62.100 -0.067 0.000 1.140 335 T CB -0.102 68.739 68.868 -0.044 0.000 0.864 335 T HN 0.233 nan 8.240 nan 0.000 0.455 336 E N 0.620 120.781 120.200 -0.065 0.000 2.110 336 E HA -0.017 4.334 4.350 0.001 0.000 0.193 336 E C 1.974 178.663 176.600 0.147 0.000 0.988 336 E CA 0.823 57.232 56.400 0.014 0.000 0.804 336 E CB -0.384 29.302 29.700 -0.023 0.000 0.745 336 E HN 0.619 nan 8.360 nan 0.000 0.458 337 F N 1.031 120.939 119.950 -0.070 0.000 2.084 337 F HA -0.182 4.346 4.527 0.001 0.000 0.296 337 F C 2.612 178.385 175.800 -0.044 0.000 1.111 337 F CA 0.423 58.386 58.000 -0.061 0.000 1.224 337 F CB -0.184 38.776 39.000 -0.067 0.000 0.991 337 F HN 0.050 nan 8.300 nan 0.000 0.471 338 A N 0.184 123.106 122.820 0.171 0.000 1.908 338 A HA -0.230 4.090 4.320 0.001 0.000 0.218 338 A C 1.822 179.448 177.584 0.070 0.000 1.181 338 A CA 2.095 54.185 52.037 0.088 0.000 0.627 338 A CB -0.826 18.197 19.000 0.039 0.000 0.818 338 A HN 0.295 nan 8.150 nan 0.000 0.445 339 D N -0.427 120.017 120.400 0.073 0.000 2.087 339 D HA -0.152 4.489 4.640 0.001 0.000 0.192 339 D C 2.148 178.489 176.300 0.068 0.000 0.993 339 D CA 1.173 55.231 54.000 0.097 0.000 0.828 339 D CB -0.331 40.556 40.800 0.145 0.000 0.968 339 D HN 0.237 nan 8.370 nan 0.000 0.448 340 R N 0.824 121.285 120.500 -0.065 0.000 2.105 340 R HA -0.062 4.279 4.340 0.001 0.000 0.239 340 R C 2.174 178.450 176.300 -0.040 0.000 1.135 340 R CA 1.004 56.995 56.100 -0.182 0.000 0.967 340 R CB -0.846 29.310 30.300 -0.241 0.000 0.861 340 R HN 0.159 nan 8.270 nan 0.000 0.442 341 A N 1.650 124.478 122.820 0.013 0.000 1.930 341 A HA -0.140 4.181 4.320 0.001 0.000 0.217 341 A C 2.475 180.096 177.584 0.062 0.000 1.175 341 A CA 2.252 54.324 52.037 0.059 0.000 0.627 341 A CB -0.566 18.476 19.000 0.071 0.000 0.815 341 A HN 0.376 nan 8.150 nan 0.000 0.443 342 K N 0.719 121.147 120.400 0.046 0.000 2.286 342 K HA -0.178 4.143 4.320 0.001 0.000 0.203 342 K C 1.902 178.496 176.600 -0.010 0.000 1.045 342 K CA 2.163 58.471 56.287 0.036 0.000 0.935 342 K CB -0.896 31.631 32.500 0.045 0.000 0.737 342 K HN 0.701 nan 8.250 nan 0.000 0.460 343 K N -1.576 118.780 120.400 -0.073 0.000 2.211 343 K HA -0.167 4.153 4.320 0.001 0.000 0.204 343 K C 1.017 177.341 176.600 -0.460 0.000 1.047 343 K CA 2.046 58.161 56.287 -0.286 0.000 0.935 343 K CB -0.189 32.058 32.500 -0.421 0.000 0.728 343 K HN 0.714 nan 8.250 nan 0.000 0.452 344 Y N -1.653 118.665 120.300 0.030 0.000 2.441 344 Y HA 0.213 4.763 4.550 0.001 0.000 0.266 344 Y C -0.135 175.775 175.900 0.015 0.000 1.093 344 Y CA -0.855 57.256 58.100 0.017 0.000 1.246 344 Y CB 1.587 40.052 38.460 0.008 0.000 1.262 344 Y HN -0.261 nan 8.280 nan 0.000 0.518 345 V N 0.542 120.550 119.914 0.156 0.000 2.876 345 V HA 0.249 4.370 4.120 0.001 0.000 0.312 345 V C -2.032 174.104 176.094 0.071 0.000 1.085 345 V CA -1.739 60.624 62.300 0.105 0.000 0.945 345 V CB 2.091 33.977 31.823 0.106 0.000 1.017 345 V HN -0.186 nan 8.190 nan 0.000 0.428 346 P HA 0.090 nan 4.420 nan 0.000 0.225 346 P C 0.516 177.833 177.300 0.028 0.000 1.148 346 P CA 1.310 64.434 63.100 0.041 0.000 0.779 346 P CB 0.188 31.913 31.700 0.042 0.000 0.780 347 G N -1.237 107.586 108.800 0.038 0.000 2.342 347 G HA2 0.518 4.478 3.960 0.001 0.000 0.297 347 G HA3 0.518 4.478 3.960 0.001 0.000 0.297 347 G C -1.892 173.026 174.900 0.029 0.000 1.313 347 G CA -0.577 44.520 45.100 -0.004 0.000 0.830 347 G HN 0.128 nan 8.290 nan 0.000 0.506 348 I N -3.403 117.141 120.570 -0.043 0.000 3.191 348 I HA 0.929 5.100 4.170 0.001 0.000 0.313 348 I C -1.801 174.256 176.117 -0.101 0.000 1.193 348 I CA -1.501 59.847 61.300 0.079 0.000 0.968 348 I CB 2.552 40.634 38.000 0.137 0.000 1.262 348 I HN 0.334 nan 8.210 nan 0.000 0.456 349 F N 2.359 122.349 119.950 0.067 0.000 2.547 349 F HA 0.568 5.096 4.527 0.001 0.000 0.316 349 F C -0.181 175.722 175.800 0.172 0.000 1.121 349 F CA -0.398 57.630 58.000 0.048 0.000 0.911 349 F CB 1.618 40.627 39.000 0.016 0.000 1.179 349 F HN 0.581 nan 8.300 nan 0.000 0.443 350 H N 2.474 121.631 119.070 0.145 0.000 2.679 350 H HA 0.439 4.996 4.556 0.001 0.000 0.367 350 H C 0.942 176.156 175.328 -0.191 0.000 1.162 350 H CA -0.857 55.194 56.048 0.004 0.000 1.181 350 H CB 1.627 31.414 29.762 0.042 0.000 1.693 350 H HN 0.759 nan 8.280 nan 0.000 0.538 351 I N 0.432 120.619 120.570 -0.638 0.000 2.236 351 I HA -0.298 3.873 4.170 0.001 0.000 0.249 351 I C 0.832 176.759 176.117 -0.316 0.000 1.102 351 I CA 1.641 62.482 61.300 -0.765 0.000 1.365 351 I CB -0.033 37.397 38.000 -0.951 0.000 1.051 351 I HN 0.548 nan 8.210 nan 0.000 0.420 352 D N 0.277 120.563 120.400 -0.190 0.000 2.363 352 D HA -0.139 4.502 4.640 0.001 0.000 0.220 352 D C 1.759 177.939 176.300 -0.200 0.000 0.994 352 D CA 0.994 54.940 54.000 -0.089 0.000 0.890 352 D CB 0.099 40.974 40.800 0.126 0.000 0.906 352 D HN 0.723 nan 8.370 nan 0.000 0.530 353 E N 0.369 120.249 120.200 -0.533 0.000 2.340 353 E HA 0.014 4.365 4.350 0.001 0.000 0.198 353 E C 0.955 177.554 176.600 -0.001 0.000 0.961 353 E CA 0.038 56.276 56.400 -0.271 0.000 0.905 353 E CB 0.059 29.516 29.700 -0.405 0.000 0.884 353 E HN 0.188 nan 8.360 nan 0.000 0.491 354 L N -1.086 120.139 121.223 0.003 0.000 2.335 354 L HA 0.713 5.054 4.340 0.001 0.000 0.268 354 L C -2.499 174.415 176.870 0.074 0.000 1.016 354 L CA -2.980 51.941 54.840 0.136 0.000 0.805 354 L CB -0.113 42.096 42.059 0.250 0.000 1.311 354 L HN -0.326 nan 8.230 nan 0.000 0.456 355 P HA 0.262 nan 4.420 nan 0.000 0.264 355 P C -1.122 176.247 177.300 0.115 0.000 1.183 355 P CA 0.446 63.615 63.100 0.114 0.000 0.763 355 P CB 0.427 32.168 31.700 0.069 0.000 0.807 356 N N -0.115 118.693 118.700 0.180 0.000 3.382 356 N HA 0.109 4.850 4.740 0.001 0.000 0.299 356 N C -1.308 174.370 175.510 0.280 0.000 1.346 356 N CA -0.574 52.537 53.050 0.101 0.000 0.811 356 N CB -0.335 38.118 38.487 -0.057 0.000 1.697 356 N HN 0.257 nan 8.380 nan 0.000 0.394 357 Y N 0.504 120.885 120.300 0.134 0.000 3.220 357 Y HA -0.163 4.387 4.550 0.001 0.000 0.214 357 Y C 1.309 177.305 175.900 0.160 0.000 1.166 357 Y CA 1.506 59.713 58.100 0.178 0.000 1.264 357 Y CB -2.094 36.564 38.460 0.330 0.000 1.324 357 Y HN 0.941 nan 8.280 nan 0.000 0.586 358 G N -0.536 108.377 108.800 0.189 0.000 2.160 358 G HA2 -0.314 3.646 3.960 0.001 0.000 0.251 358 G HA3 -0.314 3.646 3.960 0.001 0.000 0.251 358 G C -0.009 174.973 174.900 0.138 0.000 1.008 358 G CA 0.058 45.241 45.100 0.138 0.000 0.724 358 G HN 0.571 nan 8.290 nan 0.000 0.514 359 I N 2.470 123.143 120.570 0.172 0.000 2.330 359 I HA 0.289 4.460 4.170 0.001 0.000 0.286 359 I C 1.127 177.292 176.117 0.079 0.000 1.025 359 I CA -0.341 61.042 61.300 0.139 0.000 1.197 359 I CB 1.309 39.443 38.000 0.223 0.000 1.358 359 I HN 0.345 nan 8.210 nan 0.000 0.467 360 S N 5.211 120.920 115.700 0.016 0.000 2.549 360 S HA -0.012 4.459 4.470 0.001 0.000 0.286 360 S C 1.022 175.617 174.600 -0.008 0.000 1.314 360 S CA -0.417 57.780 58.200 -0.004 0.000 1.062 360 S CB 1.486 64.665 63.200 -0.034 0.000 0.865 360 S HN 0.611 nan 8.310 nan 0.000 0.498 361 Q N 2.000 121.805 119.800 0.008 0.000 2.152 361 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 361 Q C 1.741 177.736 176.000 -0.009 0.000 0.985 361 Q CA 2.250 58.062 55.803 0.015 0.000 0.863 361 Q CB -0.553 28.193 28.738 0.014 0.000 0.904 361 Q HN 0.975 nan 8.270 nan 0.000 0.422 362 E N 0.197 120.377 120.200 -0.034 0.000 2.035 362 E HA -0.237 4.113 4.350 0.001 0.000 0.204 362 E C 1.983 178.524 176.600 -0.098 0.000 1.025 362 E CA 1.549 57.914 56.400 -0.058 0.000 0.835 362 E CB -0.254 29.405 29.700 -0.068 0.000 0.764 362 E HN 0.492 nan 8.360 nan 0.000 0.457 363 E N 0.558 120.662 120.200 -0.160 0.000 2.114 363 E HA -0.232 4.119 4.350 0.001 0.000 0.199 363 E C 2.228 178.706 176.600 -0.204 0.000 1.008 363 E CA 1.522 57.738 56.400 -0.307 0.000 0.810 363 E CB -0.187 29.238 29.700 -0.459 0.000 0.739 363 E HN 0.073 nan 8.360 nan 0.000 0.456 364 V N 1.608 121.494 119.914 -0.046 0.000 2.214 364 V HA -0.313 3.807 4.120 0.001 0.000 0.245 364 V C 1.832 177.961 176.094 0.059 0.000 1.047 364 V CA 2.296 64.653 62.300 0.095 0.000 0.998 364 V CB -0.682 31.231 31.823 0.151 0.000 0.633 364 V HN 0.237 nan 8.190 nan 0.000 0.446 365 N N -0.015 118.704 118.700 0.032 0.000 2.094 365 N HA -0.172 4.569 4.740 0.001 0.000 0.191 365 N C 1.777 177.270 175.510 -0.028 0.000 1.023 365 N CA 1.067 54.128 53.050 0.019 0.000 0.857 365 N CB -0.326 38.166 38.487 0.008 0.000 1.013 365 N HN 0.241 nan 8.380 nan 0.000 0.426 366 K N 0.382 120.740 120.400 -0.070 0.000 2.281 366 K HA -0.027 4.294 4.320 0.001 0.000 0.203 366 K C 1.522 178.050 176.600 -0.121 0.000 1.046 366 K CA 0.500 56.729 56.287 -0.097 0.000 0.938 366 K CB -0.228 32.191 32.500 -0.135 0.000 0.737 366 K HN 0.128 nan 8.250 nan 0.000 0.458 367 V N 0.817 120.631 119.914 -0.165 0.000 2.599 367 V HA -0.094 4.027 4.120 0.001 0.000 0.245 367 V C 2.165 178.115 176.094 -0.241 0.000 1.046 367 V CA 0.763 62.902 62.300 -0.270 0.000 1.065 367 V CB -0.235 31.271 31.823 -0.528 0.000 0.703 367 V HN 0.165 nan 8.190 nan 0.000 0.464 368 I N 0.250 120.757 120.570 -0.105 0.000 2.399 368 I HA -0.277 3.893 4.170 0.001 0.000 0.254 368 I C 2.409 178.504 176.117 -0.036 0.000 1.146 368 I CA 1.581 62.879 61.300 -0.003 0.000 1.412 368 I CB -0.287 37.759 38.000 0.076 0.000 1.076 368 I HN 0.454 nan 8.210 nan 0.000 0.432 369 E N 0.645 120.815 120.200 -0.051 0.000 2.011 369 E HA -0.187 4.163 4.350 0.001 0.000 0.191 369 E C 2.248 178.826 176.600 -0.036 0.000 0.980 369 E CA 0.592 56.972 56.400 -0.033 0.000 0.814 369 E CB -0.156 29.527 29.700 -0.028 0.000 0.775 369 E HN 0.246 nan 8.360 nan 0.000 0.454 370 R N 0.791 121.263 120.500 -0.046 0.000 2.185 370 R HA -0.172 4.169 4.340 0.001 0.000 0.247 370 R C 1.727 178.034 176.300 0.012 0.000 1.159 370 R CA 1.232 57.331 56.100 -0.003 0.000 0.988 370 R CB -0.140 30.164 30.300 0.007 0.000 0.871 370 R HN 0.203 nan 8.270 nan 0.000 0.458 371 L N -0.789 120.343 121.223 -0.152 0.000 2.766 371 L HA 0.229 4.570 4.340 0.001 0.000 0.242 371 L C 0.061 176.883 176.870 -0.080 0.000 1.136 371 L CA -0.627 54.044 54.840 -0.282 0.000 0.933 371 L CB -0.260 41.276 42.059 -0.870 0.000 1.241 371 L HN 0.105 nan 8.230 nan 0.000 0.522 372 N N 2.566 121.248 118.700 -0.030 0.000 2.473 372 N HA -0.175 4.566 4.740 0.001 0.000 0.298 372 N C -1.069 174.448 175.510 0.013 0.000 1.390 372 N CA 0.665 53.719 53.050 0.007 0.000 0.659 372 N CB -0.326 38.181 38.487 0.033 0.000 0.968 372 N HN 0.366 nan 8.380 nan 0.000 0.508 373 L N 2.066 123.304 121.223 0.024 0.000 2.334 373 L HA 0.425 4.766 4.340 0.001 0.000 0.276 373 L C 1.031 177.933 176.870 0.052 0.000 1.014 373 L CA -0.858 54.013 54.840 0.051 0.000 0.815 373 L CB 1.827 43.943 42.059 0.094 0.000 1.268 373 L HN 0.295 nan 8.230 nan 0.000 0.428 374 S N 0.407 116.140 115.700 0.055 0.000 2.661 374 S HA 0.196 4.667 4.470 0.001 0.000 0.265 374 S C 1.203 175.834 174.600 0.052 0.000 1.225 374 S CA 0.066 58.295 58.200 0.049 0.000 0.986 374 S CB 1.209 64.437 63.200 0.048 0.000 1.008 374 S HN 0.760 nan 8.310 nan 0.000 0.565 375 E N -0.190 120.036 120.200 0.043 0.000 2.515 375 E HA -0.067 4.284 4.350 0.001 0.000 0.201 375 E C 0.826 177.452 176.600 0.044 0.000 1.071 375 E CA 1.109 57.533 56.400 0.040 0.000 0.880 375 E CB -0.667 29.051 29.700 0.031 0.000 0.828 375 E HN 0.735 nan 8.360 nan 0.000 0.540 376 E N -0.510 119.722 120.200 0.054 0.000 2.702 376 E HA 0.096 4.446 4.350 0.001 0.000 0.225 376 E C -0.605 176.050 176.600 0.092 0.000 0.942 376 E CA -0.327 56.111 56.400 0.064 0.000 1.210 376 E CB 0.691 30.427 29.700 0.061 0.000 1.143 376 E HN 0.282 nan 8.360 nan 0.000 0.544 377 D N 1.426 121.878 120.400 0.088 0.000 2.302 377 D HA 0.413 5.054 4.640 0.001 0.000 0.248 377 D C -0.161 176.206 176.300 0.112 0.000 1.094 377 D CA 0.173 54.235 54.000 0.103 0.000 0.897 377 D CB 1.608 42.458 40.800 0.084 0.000 1.200 377 D HN 0.109 nan 8.370 nan 0.000 0.429 378 A N 1.227 124.121 122.820 0.124 0.000 2.437 378 A HA 0.860 5.181 4.320 0.001 0.000 0.288 378 A C -1.064 176.607 177.584 0.144 0.000 1.201 378 A CA -0.685 51.399 52.037 0.078 0.000 0.795 378 A CB 1.159 20.212 19.000 0.087 0.000 1.359 378 A HN 0.497 nan 8.150 nan 0.000 0.435 379 F N -2.600 117.412 119.950 0.104 0.000 2.754 379 F HA 0.845 5.372 4.527 0.001 0.000 0.320 379 F C -1.291 174.594 175.800 0.142 0.000 1.156 379 F CA -1.403 56.638 58.000 0.068 0.000 0.950 379 F CB 1.151 40.155 39.000 0.007 0.000 1.388 379 F HN 0.402 nan 8.300 nan 0.000 0.485 380 V N 2.201 122.409 119.914 0.491 0.000 2.733 380 V HA 0.521 4.642 4.120 0.001 0.000 0.306 380 V C -0.893 175.422 176.094 0.369 0.000 1.084 380 V CA -0.712 61.820 62.300 0.386 0.000 0.905 380 V CB 1.876 33.830 31.823 0.218 0.000 1.010 380 V HN 0.782 nan 8.190 nan 0.000 0.424 381 L N 4.629 126.071 121.223 0.364 0.000 2.346 381 L HA 0.830 5.170 4.340 0.001 0.000 0.274 381 L C -0.933 176.036 176.870 0.164 0.000 1.007 381 L CA -0.986 53.964 54.840 0.183 0.000 0.818 381 L CB 2.175 44.273 42.059 0.065 0.000 1.284 381 L HN 0.356 nan 8.230 nan 0.000 0.424 382 V N 2.059 122.009 119.914 0.060 0.000 2.498 382 V HA 0.400 4.521 4.120 0.001 0.000 0.283 382 V C 0.103 176.184 176.094 -0.022 0.000 1.015 382 V CA -0.569 61.774 62.300 0.072 0.000 0.867 382 V CB 1.631 33.508 31.823 0.090 0.000 1.025 382 V HN 0.850 nan 8.190 nan 0.000 0.441 383 A N 4.001 126.788 122.820 -0.055 0.000 2.350 383 A HA 0.902 5.223 4.320 0.001 0.000 0.293 383 A C 0.410 177.973 177.584 -0.035 0.000 1.231 383 A CA 0.671 52.647 52.037 -0.102 0.000 0.883 383 A CB 0.283 19.189 19.000 -0.158 0.000 1.133 383 A HN 1.613 nan 8.150 nan 0.000 0.533 384 A N 1.877 124.669 122.820 -0.046 0.000 2.511 384 A HA 0.628 4.949 4.320 0.001 0.000 0.293 384 A C -0.504 177.051 177.584 -0.047 0.000 1.098 384 A CA -0.599 51.421 52.037 -0.028 0.000 0.643 384 A CB 0.376 19.372 19.000 -0.007 0.000 1.302 384 A HN 0.718 nan 8.150 nan 0.000 0.446 385 E N 1.014 121.190 120.200 -0.040 0.000 2.406 385 E HA 0.009 4.359 4.350 0.001 0.000 0.258 385 E C 0.722 177.272 176.600 -0.083 0.000 1.043 385 E CA 0.208 56.577 56.400 -0.052 0.000 0.929 385 E CB 0.406 30.083 29.700 -0.039 0.000 0.969 385 E HN 0.589 nan 8.360 nan 0.000 0.462 386 E N 3.764 123.909 120.200 -0.092 0.000 2.813 386 E HA -0.343 4.007 4.350 0.001 0.000 0.233 386 E C 1.236 177.726 176.600 -0.182 0.000 0.922 386 E CA 2.280 58.603 56.400 -0.128 0.000 1.351 386 E CB -0.214 29.419 29.700 -0.112 0.000 1.349 386 E HN 0.641 nan 8.360 nan 0.000 0.485 387 E N 0.526 120.620 120.200 -0.177 0.000 2.058 387 E HA -0.167 4.183 4.350 0.001 0.000 0.194 387 E C 2.175 178.626 176.600 -0.249 0.000 0.997 387 E CA 1.087 57.352 56.400 -0.225 0.000 0.801 387 E CB -0.318 29.273 29.700 -0.182 0.000 0.746 387 E HN 0.315 nan 8.360 nan 0.000 0.450 388 K N 0.296 120.591 120.400 -0.174 0.000 2.015 388 K HA -0.196 4.125 4.320 0.001 0.000 0.216 388 K C 2.142 178.663 176.600 -0.131 0.000 1.052 388 K CA 1.652 57.858 56.287 -0.136 0.000 0.937 388 K CB -0.289 32.189 32.500 -0.037 0.000 0.719 388 K HN 0.098 nan 8.250 nan 0.000 0.446 389 A N 1.488 124.238 122.820 -0.117 0.000 2.024 389 A HA -0.213 4.107 4.320 0.001 0.000 0.220 389 A C 1.900 179.397 177.584 -0.145 0.000 1.164 389 A CA 1.582 53.566 52.037 -0.088 0.000 0.643 389 A CB -0.280 18.667 19.000 -0.087 0.000 0.806 389 A HN 0.250 nan 8.150 nan 0.000 0.451 390 K N -0.255 119.941 120.400 -0.341 0.000 1.984 390 K HA -0.094 4.226 4.320 0.001 0.000 0.209 390 K C 1.807 178.283 176.600 -0.206 0.000 1.046 390 K CA 1.339 57.256 56.287 -0.616 0.000 0.934 390 K CB -0.292 31.710 32.500 -0.829 0.000 0.717 390 K HN 0.476 nan 8.250 nan 0.000 0.438 391 N N 1.119 119.646 118.700 -0.289 0.000 2.104 391 N HA -0.180 4.561 4.740 0.001 0.000 0.190 391 N C 1.899 177.383 175.510 -0.042 0.000 1.024 391 N CA 1.359 54.220 53.050 -0.316 0.000 0.853 391 N CB -0.290 37.592 38.487 -1.007 0.000 1.008 391 N HN 0.178 nan 8.380 nan 0.000 0.424 392 A N 2.042 124.873 122.820 0.018 0.000 1.873 392 A HA -0.126 4.195 4.320 0.001 0.000 0.218 392 A C 2.444 180.105 177.584 0.128 0.000 1.193 392 A CA 1.233 53.378 52.037 0.180 0.000 0.629 392 A CB -0.963 18.120 19.000 0.139 0.000 0.826 392 A HN 0.203 nan 8.150 nan 0.000 0.447 393 L N -1.070 120.234 121.223 0.135 0.000 2.131 393 L HA -0.196 4.145 4.340 0.001 0.000 0.210 393 L C 2.878 179.810 176.870 0.104 0.000 1.092 393 L CA 1.265 56.195 54.840 0.150 0.000 0.759 393 L CB -0.503 41.741 42.059 0.308 0.000 0.903 393 L HN 0.363 nan 8.230 nan 0.000 0.435 394 R N -0.176 120.426 120.500 0.171 0.000 2.073 394 R HA -0.148 4.193 4.340 0.001 0.000 0.234 394 R C 2.160 178.474 176.300 0.024 0.000 1.134 394 R CA 1.120 57.278 56.100 0.097 0.000 0.952 394 R CB -0.382 29.998 30.300 0.133 0.000 0.850 394 R HN 0.336 nan 8.270 nan 0.000 0.433 395 E N 0.577 120.814 120.200 0.061 0.000 2.160 395 E HA -0.124 4.226 4.350 0.001 0.000 0.195 395 E C 2.132 178.681 176.600 -0.086 0.000 0.991 395 E CA 0.969 57.382 56.400 0.022 0.000 0.810 395 E CB -0.097 29.655 29.700 0.086 0.000 0.742 395 E HN 0.143 nan 8.360 nan 0.000 0.466 396 V N 1.302 121.143 119.914 -0.122 0.000 2.427 396 V HA -0.220 3.900 4.120 0.001 0.000 0.248 396 V C 2.376 178.226 176.094 -0.407 0.000 1.051 396 V CA 1.181 63.283 62.300 -0.329 0.000 1.048 396 V CB -0.476 31.166 31.823 -0.301 0.000 0.666 396 V HN 0.180 nan 8.190 nan 0.000 0.456 397 I N 0.071 120.497 120.570 -0.240 0.000 2.076 397 I HA -0.302 3.869 4.170 0.001 0.000 0.237 397 I C 2.596 178.606 176.117 -0.178 0.000 1.059 397 I CA 2.111 63.280 61.300 -0.220 0.000 1.317 397 I CB -0.596 37.314 38.000 -0.150 0.000 1.037 397 I HN 0.255 nan 8.210 nan 0.000 0.398 398 K N 0.790 121.121 120.400 -0.115 0.000 2.030 398 K HA -0.318 4.002 4.320 0.001 0.000 0.222 398 K C 2.527 179.086 176.600 -0.068 0.000 1.056 398 K CA 1.969 58.213 56.287 -0.073 0.000 0.957 398 K CB -0.190 32.280 32.500 -0.049 0.000 0.727 398 K HN 0.039 nan 8.250 nan 0.000 0.452 399 R N 0.464 120.907 120.500 -0.095 0.000 2.097 399 R HA -0.130 4.210 4.340 0.001 0.000 0.236 399 R C 2.223 178.563 176.300 0.067 0.000 1.135 399 R CA 1.906 57.996 56.100 -0.016 0.000 0.934 399 R CB -1.250 29.052 30.300 0.003 0.000 0.846 399 R HN 0.446 nan 8.270 nan 0.000 0.431 400 A N 1.328 124.102 122.820 -0.077 0.000 1.896 400 A HA -0.271 4.049 4.320 0.001 0.000 0.220 400 A C 2.374 180.037 177.584 0.132 0.000 1.206 400 A CA 2.246 54.322 52.037 0.065 0.000 0.647 400 A CB -0.602 18.204 19.000 -0.323 0.000 0.828 400 A HN 0.439 nan 8.150 nan 0.000 0.455 401 R N -0.760 119.738 120.500 -0.003 0.000 2.082 401 R HA -0.163 4.177 4.340 0.001 0.000 0.234 401 R C 2.236 178.591 176.300 0.091 0.000 1.136 401 R CA 1.680 57.798 56.100 0.029 0.000 0.935 401 R CB -0.516 29.773 30.300 -0.019 0.000 0.842 401 R HN 0.715 nan 8.270 nan 0.000 0.430 402 E N 0.441 120.683 120.200 0.070 0.000 2.147 402 E HA -0.248 4.102 4.350 0.001 0.000 0.199 402 E C 2.022 178.684 176.600 0.103 0.000 1.005 402 E CA 1.308 57.750 56.400 0.071 0.000 0.810 402 E CB -0.174 29.557 29.700 0.052 0.000 0.736 402 E HN 0.408 nan 8.360 nan 0.000 0.460 403 A N 1.104 124.026 122.820 0.170 0.000 1.940 403 A HA -0.188 4.132 4.320 0.001 0.000 0.219 403 A C 2.147 179.812 177.584 0.135 0.000 1.176 403 A CA 1.183 53.322 52.037 0.170 0.000 0.631 403 A CB -0.601 18.573 19.000 0.290 0.000 0.814 403 A HN 0.182 nan 8.150 nan 0.000 0.446 404 I N -0.511 120.187 120.570 0.213 0.000 2.361 404 I HA -0.247 3.924 4.170 0.001 0.000 0.251 404 I C 2.336 178.503 176.117 0.083 0.000 1.133 404 I CA 1.586 62.985 61.300 0.166 0.000 1.413 404 I CB -0.485 37.645 38.000 0.216 0.000 1.073 404 I HN 0.446 nan 8.210 nan 0.000 0.424 405 E N 0.554 120.798 120.200 0.074 0.000 2.086 405 E HA 0.185 4.535 4.350 0.001 0.000 0.190 405 E C 1.236 177.854 176.600 0.029 0.000 0.975 405 E CA 0.713 57.140 56.400 0.045 0.000 0.813 405 E CB 0.156 29.880 29.700 0.041 0.000 0.768 405 E HN 0.574 nan 8.360 nan 0.000 0.457 406 G N 0.169 108.988 108.800 0.031 0.000 2.564 406 G HA2 0.031 3.991 3.960 0.001 0.000 0.139 406 G HA3 0.031 3.991 3.960 0.001 0.000 0.139 406 G C -1.442 173.467 174.900 0.016 0.000 1.147 406 G CA -0.611 44.498 45.100 0.015 0.000 1.031 406 G HN -0.022 nan 8.290 nan 0.000 0.482 407 V N 2.902 122.822 119.914 0.009 0.000 2.348 407 V HA 0.441 4.561 4.120 0.001 0.000 0.270 407 V C -1.996 174.110 176.094 0.021 0.000 1.037 407 V CA -0.935 61.371 62.300 0.010 0.000 0.872 407 V CB 1.030 32.852 31.823 -0.002 0.000 1.002 407 V HN 0.445 nan 8.190 nan 0.000 0.464 408 P HA 0.085 nan 4.420 nan 0.000 0.267 408 P C -0.062 177.265 177.300 0.044 0.000 1.209 408 P CA -0.024 63.098 63.100 0.037 0.000 0.763 408 P CB 0.411 32.133 31.700 0.037 0.000 0.816 409 E N 3.898 124.123 120.200 0.042 0.000 1.858 409 E HA 0.026 4.376 4.350 0.001 0.000 0.267 409 E C 0.126 176.766 176.600 0.065 0.000 1.215 409 E CA -0.199 56.227 56.400 0.043 0.000 0.952 409 E CB 0.138 29.858 29.700 0.033 0.000 1.058 409 E HN 0.458 nan 8.360 nan 0.000 0.407 410 E N 1.989 122.240 120.200 0.084 0.000 2.428 410 E HA 0.379 4.729 4.350 0.001 0.000 0.259 410 E C -0.886 175.760 176.600 0.077 0.000 0.930 410 E CA -0.993 55.483 56.400 0.127 0.000 0.823 410 E CB 1.665 31.515 29.700 0.251 0.000 1.403 410 E HN 0.114 nan 8.360 nan 0.000 0.415 411 T N 0.142 114.723 114.554 0.045 0.000 2.788 411 T HA 0.403 4.754 4.350 0.001 0.000 0.296 411 T C -0.919 173.740 174.700 -0.069 0.000 1.009 411 T CA -0.570 61.520 62.100 -0.017 0.000 0.949 411 T CB 0.268 69.113 68.868 -0.038 0.000 0.946 411 T HN 0.356 nan 8.240 nan 0.000 0.453 412 R N 2.833 123.314 120.500 -0.031 0.000 2.732 412 R HA 0.628 4.968 4.340 0.001 0.000 0.278 412 R C 0.079 176.352 176.300 -0.044 0.000 0.976 412 R CA -1.125 54.952 56.100 -0.039 0.000 0.963 412 R CB 1.812 32.123 30.300 0.018 0.000 1.150 412 R HN 0.613 nan 8.270 nan 0.000 0.478 413 R N 0.571 121.041 120.500 -0.050 0.000 2.474 413 R HA 0.645 4.985 4.340 0.001 0.000 0.295 413 R C -0.729 175.560 176.300 -0.019 0.000 0.980 413 R CA -0.638 55.439 56.100 -0.038 0.000 0.934 413 R CB 1.461 31.732 30.300 -0.049 0.000 1.101 413 R HN 0.611 nan 8.270 nan 0.000 0.469 414 A N 3.290 126.101 122.820 -0.015 0.000 2.351 414 A HA 0.440 4.761 4.320 0.001 0.000 0.257 414 A C -0.591 176.990 177.584 -0.006 0.000 1.087 414 A CA -0.533 51.499 52.037 -0.008 0.000 0.798 414 A CB 0.393 19.388 19.000 -0.008 0.000 1.033 414 A HN 0.525 nan 8.150 nan 0.000 0.488 415 L N 1.334 122.556 121.223 -0.001 0.000 2.286 415 L HA 0.515 4.855 4.340 0.001 0.000 0.265 415 L C -1.648 175.224 176.870 0.002 0.000 1.012 415 L CA -1.772 53.068 54.840 0.001 0.000 0.818 415 L CB 0.792 42.855 42.059 0.005 0.000 1.337 415 L HN 0.384 nan 8.230 nan 0.000 0.438 416 P HA -0.068 nan 4.420 nan 0.000 0.218 416 P C 0.298 177.602 177.300 0.006 0.000 1.149 416 P CA 0.997 64.099 63.100 0.003 0.000 0.817 416 P CB 0.294 31.996 31.700 0.003 0.000 0.785 417 D N -1.452 118.952 120.400 0.007 0.000 2.178 417 D HA 0.009 4.649 4.640 0.001 0.000 0.201 417 D C 1.681 177.988 176.300 0.012 0.000 0.980 417 D CA 1.760 55.765 54.000 0.010 0.000 0.842 417 D CB -0.660 40.147 40.800 0.011 0.000 0.948 417 D HN 0.236 nan 8.370 nan 0.000 0.472 418 G N -0.924 107.883 108.800 0.011 0.000 2.229 418 G HA2 -0.204 3.757 3.960 0.001 0.000 0.189 418 G HA3 -0.204 3.757 3.960 0.001 0.000 0.189 418 G C 0.178 175.086 174.900 0.014 0.000 1.000 418 G CA -0.371 44.736 45.100 0.012 0.000 0.663 418 G HN 0.169 nan 8.290 nan 0.000 0.493 419 N N 1.051 119.759 118.700 0.014 0.000 2.413 419 N HA 0.595 5.335 4.740 0.001 0.000 0.266 419 N C 0.562 176.079 175.510 0.011 0.000 1.238 419 N CA 0.824 53.883 53.050 0.015 0.000 0.972 419 N CB 0.883 39.380 38.487 0.016 0.000 1.210 419 N HN 0.514 nan 8.380 nan 0.000 0.547 420 T N -2.864 111.699 114.554 0.013 0.000 2.938 420 T HA 0.571 4.921 4.350 0.001 0.000 0.285 420 T C -0.379 174.336 174.700 0.025 0.000 1.028 420 T CA -0.873 61.236 62.100 0.014 0.000 1.005 420 T CB 2.336 71.212 68.868 0.014 0.000 1.157 420 T HN 0.501 nan 8.240 nan 0.000 0.550 421 E N -0.347 119.870 120.200 0.028 0.000 2.366 421 E HA 0.315 4.666 4.350 0.001 0.000 0.278 421 E C -1.781 174.859 176.600 0.066 0.000 0.923 421 E CA -0.909 55.522 56.400 0.051 0.000 0.761 421 E CB 2.138 31.855 29.700 0.028 0.000 1.231 421 E HN 0.704 nan 8.360 nan 0.000 0.443 422 Y N 4.124 124.425 120.300 0.002 0.000 2.511 422 Y HA 0.066 4.616 4.550 0.001 0.000 0.332 422 Y C 0.481 176.379 175.900 -0.003 0.000 1.177 422 Y CA 0.878 58.980 58.100 0.003 0.000 1.422 422 Y CB 0.638 39.105 38.460 0.011 0.000 1.271 422 Y HN 0.670 nan 8.280 nan 0.000 0.550 423 M N 4.060 123.071 119.600 -0.981 0.000 3.207 423 M HA 0.294 4.775 4.480 0.001 0.000 0.202 423 M C -0.389 175.296 176.300 -1.024 0.000 1.730 423 M CA 0.295 55.144 55.300 -0.752 0.000 1.461 423 M CB 0.782 33.166 32.600 -0.361 0.000 1.013 423 M HN 0.647 nan 8.290 nan 0.000 0.592 424 R N -1.215 118.827 120.500 -0.763 0.000 2.781 424 R HA 0.547 4.888 4.340 0.001 0.000 0.268 424 R C -2.926 173.340 176.300 -0.057 0.000 1.047 424 R CA -1.662 54.237 56.100 -0.335 0.000 0.925 424 R CB -0.696 29.515 30.300 -0.148 0.000 1.246 424 R HN -0.096 nan 8.270 nan 0.000 0.456 425 P HA 0.120 nan 4.420 nan 0.000 0.274 425 P C -0.699 176.632 177.300 0.052 0.000 1.237 425 P CA -0.618 62.549 63.100 0.112 0.000 0.793 425 P CB 0.423 32.188 31.700 0.107 0.000 0.977 426 L N 4.469 125.725 121.223 0.053 0.000 2.601 426 L HA 0.051 4.392 4.340 0.001 0.000 0.277 426 L C -1.817 175.070 176.870 0.029 0.000 1.219 426 L CA -0.468 54.392 54.840 0.033 0.000 0.915 426 L CB -1.235 40.845 42.059 0.034 0.000 1.160 426 L HN 0.359 nan 8.230 nan 0.000 0.494 427 P HA 0.081 nan 4.420 nan 0.000 0.266 427 P C 0.004 177.321 177.300 0.027 0.000 1.193 427 P CA 0.011 63.124 63.100 0.023 0.000 0.770 427 P CB 0.429 32.141 31.700 0.020 0.000 0.836 428 G N 2.123 110.941 108.800 0.030 0.000 2.572 428 G HA2 0.221 4.182 3.960 0.001 0.000 0.261 428 G HA3 0.221 4.182 3.960 0.001 0.000 0.261 428 G C -0.454 174.463 174.900 0.029 0.000 1.197 428 G CA -0.615 44.503 45.100 0.030 0.000 0.870 428 G HN 0.280 nan 8.290 nan 0.000 0.548 429 K N 0.246 120.662 120.400 0.027 0.000 2.401 429 K HA 0.345 4.665 4.320 0.001 0.000 0.278 429 K C 0.581 177.199 176.600 0.030 0.000 1.018 429 K CA -0.103 56.200 56.287 0.026 0.000 0.981 429 K CB 0.804 33.317 32.500 0.022 0.000 0.933 429 K HN 0.535 nan 8.250 nan 0.000 0.477 430 A N 2.329 125.170 122.820 0.034 0.000 2.371 430 A HA 0.540 4.861 4.320 0.001 0.000 0.257 430 A C 0.411 178.020 177.584 0.042 0.000 1.089 430 A CA -0.409 51.653 52.037 0.041 0.000 0.794 430 A CB 0.185 19.212 19.000 0.046 0.000 1.029 430 A HN 0.733 nan 8.150 nan 0.000 0.488 431 R N 2.080 122.611 120.500 0.051 0.000 2.265 431 R HA 0.676 5.016 4.340 0.001 0.000 0.328 431 R C -0.481 175.869 176.300 0.084 0.000 0.969 431 R CA -0.187 55.944 56.100 0.051 0.000 0.832 431 R CB 0.161 30.483 30.300 0.036 0.000 1.139 431 R HN 0.862 nan 8.270 nan 0.000 0.457 432 M N 1.864 121.515 119.600 0.085 0.000 2.716 432 M HA 0.803 5.284 4.480 0.001 0.000 0.307 432 M C -1.049 175.361 176.300 0.183 0.000 1.223 432 M CA -1.328 54.042 55.300 0.116 0.000 0.871 432 M CB 2.403 35.031 32.600 0.046 0.000 1.739 432 M HN 0.763 nan 8.290 nan 0.000 0.475 433 Y N -1.691 118.556 120.300 -0.088 0.000 2.558 433 Y HA 0.660 5.211 4.550 0.001 0.000 0.333 433 Y C -3.245 172.582 175.900 -0.121 0.000 1.125 433 Y CA -3.115 54.930 58.100 -0.092 0.000 1.039 433 Y CB -0.024 38.385 38.460 -0.085 0.000 1.331 433 Y HN 0.404 nan 8.280 nan 0.000 0.456 434 P HA -0.109 nan 4.420 nan 0.000 0.264 434 P C -0.507 176.529 177.300 -0.440 0.000 1.156 434 P CA 0.690 63.662 63.100 -0.214 0.000 0.756 434 P CB 0.498 32.148 31.700 -0.084 0.000 0.764 435 E N 2.588 122.607 120.200 -0.302 0.000 1.932 435 E HA 0.088 4.438 4.350 0.001 0.000 0.259 435 E C 0.620 177.093 176.600 -0.211 0.000 1.099 435 E CA 0.106 56.291 56.400 -0.357 0.000 0.970 435 E CB -0.931 28.625 29.700 -0.240 0.000 1.143 435 E HN 0.223 nan 8.360 nan 0.000 0.441 436 T N 3.086 117.509 114.554 -0.218 0.000 2.897 436 T HA -0.126 4.225 4.350 0.001 0.000 0.271 436 T C 0.550 175.195 174.700 -0.092 0.000 1.084 436 T CA 1.545 63.577 62.100 -0.113 0.000 1.123 436 T CB -0.012 68.802 68.868 -0.090 0.000 0.865 436 T HN 0.430 nan 8.240 nan 0.000 0.496 437 D N 0.229 120.549 120.400 -0.132 0.000 2.194 437 D HA 0.047 4.687 4.640 0.001 0.000 0.204 437 D C 0.401 176.636 176.300 -0.109 0.000 0.964 437 D CA 0.471 54.403 54.000 -0.115 0.000 0.846 437 D CB -0.005 40.713 40.800 -0.137 0.000 0.962 437 D HN 0.308 nan 8.370 nan 0.000 0.490 438 I N 2.225 122.713 120.570 -0.136 0.000 2.325 438 I HA 0.190 4.360 4.170 0.001 0.000 0.291 438 I C -2.047 174.048 176.117 -0.037 0.000 1.019 438 I CA -2.514 58.732 61.300 -0.090 0.000 1.302 438 I CB 1.046 38.968 38.000 -0.130 0.000 1.401 438 I HN -0.287 nan 8.210 nan 0.000 0.485 439 P HA 0.163 nan 4.420 nan 0.000 0.269 439 P C -2.546 174.716 177.300 -0.062 0.000 1.217 439 P CA -0.833 62.250 63.100 -0.028 0.000 0.783 439 P CB -0.224 31.462 31.700 -0.025 0.000 0.898 440 P HA 0.167 nan 4.420 nan 0.000 0.276 440 P C -0.626 176.537 177.300 -0.229 0.000 1.235 440 P CA 0.182 63.071 63.100 -0.353 0.000 0.772 440 P CB 0.429 31.770 31.700 -0.600 0.000 0.871 441 L N 3.938 125.046 121.223 -0.192 0.000 2.289 441 L HA 0.420 4.760 4.340 0.001 0.000 0.285 441 L C 0.675 177.487 176.870 -0.098 0.000 1.049 441 L CA -0.683 54.101 54.840 -0.094 0.000 0.804 441 L CB 0.846 42.891 42.059 -0.024 0.000 1.195 441 L HN 0.329 nan 8.230 nan 0.000 0.428 442 R N 4.591 125.055 120.500 -0.059 0.000 2.474 442 R HA 0.543 4.884 4.340 0.001 0.000 0.295 442 R C -0.925 175.370 176.300 -0.008 0.000 0.980 442 R CA -0.579 55.501 56.100 -0.033 0.000 0.934 442 R CB 1.124 31.412 30.300 -0.019 0.000 1.101 442 R HN 0.581 nan 8.270 nan 0.000 0.469 443 I N 6.516 127.089 120.570 0.006 0.000 2.337 443 I HA 0.292 4.463 4.170 0.001 0.000 0.285 443 I C -2.074 174.060 176.117 0.030 0.000 1.041 443 I CA -2.425 58.888 61.300 0.021 0.000 1.199 443 I CB 1.537 39.555 38.000 0.030 0.000 1.370 443 I HN 0.408 nan 8.210 nan 0.000 0.470 444 P HA 0.021 nan 4.420 nan 0.000 0.266 444 P C 0.266 177.587 177.300 0.036 0.000 1.195 444 P CA -0.058 63.057 63.100 0.026 0.000 0.768 444 P CB 0.742 32.453 31.700 0.019 0.000 0.838 445 D N 1.375 121.796 120.400 0.034 0.000 2.182 445 D HA -0.199 4.442 4.640 0.001 0.000 0.201 445 D C 1.394 177.711 176.300 0.027 0.000 0.986 445 D CA 1.107 55.130 54.000 0.038 0.000 0.847 445 D CB -0.288 40.530 40.800 0.030 0.000 0.942 445 D HN 0.540 nan 8.370 nan 0.000 0.467 446 D N 1.035 121.447 120.400 0.020 0.000 2.127 446 D HA -0.194 4.447 4.640 0.001 0.000 0.190 446 D C 2.190 178.497 176.300 0.013 0.000 1.000 446 D CA 0.880 54.887 54.000 0.012 0.000 0.839 446 D CB -0.142 40.664 40.800 0.011 0.000 0.955 446 D HN 0.142 nan 8.370 nan 0.000 0.446 447 L N 0.978 122.215 121.223 0.023 0.000 2.093 447 L HA -0.071 4.270 4.340 0.001 0.000 0.208 447 L C 2.435 179.332 176.870 0.045 0.000 1.085 447 L CA 1.536 56.393 54.840 0.029 0.000 0.755 447 L CB -0.421 41.659 42.059 0.035 0.000 0.904 447 L HN -0.060 nan 8.230 nan 0.000 0.435 448 K N -0.117 120.323 120.400 0.068 0.000 2.032 448 K HA -0.234 4.087 4.320 0.001 0.000 0.209 448 K C 2.312 178.903 176.600 -0.016 0.000 1.048 448 K CA 2.195 58.554 56.287 0.120 0.000 0.927 448 K CB -0.360 32.236 32.500 0.160 0.000 0.712 448 K HN 0.448 nan 8.250 nan 0.000 0.441 449 K N 1.483 121.863 120.400 -0.032 0.000 1.985 449 K HA -0.189 4.131 4.320 0.001 0.000 0.210 449 K C 2.356 178.897 176.600 -0.098 0.000 1.047 449 K CA 2.321 58.557 56.287 -0.084 0.000 0.932 449 K CB -1.500 30.975 32.500 -0.043 0.000 0.716 449 K HN 0.313 nan 8.250 nan 0.000 0.439 450 K N 1.027 121.397 120.400 -0.051 0.000 2.089 450 K HA -0.080 4.240 4.320 0.001 0.000 0.210 450 K C 2.279 178.845 176.600 -0.057 0.000 1.048 450 K CA 1.980 58.242 56.287 -0.041 0.000 0.926 450 K CB -0.922 31.569 32.500 -0.015 0.000 0.714 450 K HN 0.576 nan 8.250 nan 0.000 0.448 451 I N -0.201 120.336 120.570 -0.056 0.000 2.500 451 I HA -0.125 4.045 4.170 0.001 0.000 0.252 451 I C 2.737 178.743 176.117 -0.185 0.000 1.142 451 I CA 1.282 62.554 61.300 -0.045 0.000 1.451 451 I CB -0.031 38.014 38.000 0.076 0.000 1.093 451 I HN 0.352 nan 8.210 nan 0.000 0.430 452 K N 1.244 121.374 120.400 -0.451 0.000 2.283 452 K HA -0.151 4.170 4.320 0.001 0.000 0.202 452 K C 1.726 178.132 176.600 -0.324 0.000 1.048 452 K CA 1.164 57.004 56.287 -0.746 0.000 0.948 452 K CB 0.210 32.130 32.500 -0.966 0.000 0.742 452 K HN 0.394 nan 8.250 nan 0.000 0.458 453 E N 0.197 120.281 120.200 -0.194 0.000 2.024 453 E HA -0.028 4.322 4.350 0.001 0.000 0.190 453 E C 0.825 177.386 176.600 -0.065 0.000 0.974 453 E CA 0.436 56.772 56.400 -0.106 0.000 0.810 453 E CB -0.020 29.634 29.700 -0.077 0.000 0.775 453 E HN 0.264 nan 8.360 nan 0.000 0.453 454 N N 1.945 120.615 118.700 -0.051 0.000 2.585 454 N HA -0.001 4.740 4.740 0.001 0.000 0.213 454 N C -0.168 175.336 175.510 -0.010 0.000 1.385 454 N CA 0.382 53.419 53.050 -0.022 0.000 0.871 454 N CB -0.199 38.279 38.487 -0.015 0.000 1.154 454 N HN 0.157 nan 8.380 nan 0.000 0.474 455 L N 1.345 122.560 121.223 -0.013 0.000 2.514 455 L HA 0.085 4.426 4.340 0.001 0.000 0.280 455 L C -1.549 175.334 176.870 0.020 0.000 1.223 455 L CA -1.143 53.705 54.840 0.014 0.000 0.864 455 L CB -0.362 41.713 42.059 0.027 0.000 1.118 455 L HN -0.138 nan 8.230 nan 0.000 0.494 456 P HA 0.043 nan 4.420 nan 0.000 0.272 456 P C -1.183 176.132 177.300 0.025 0.000 1.254 456 P CA -0.380 62.733 63.100 0.022 0.000 0.795 456 P CB 0.433 32.142 31.700 0.016 0.000 1.022 457 E N 0.590 120.803 120.200 0.022 0.000 2.081 457 E HA 0.329 4.679 4.350 0.001 0.000 0.281 457 E C -0.694 175.913 176.600 0.012 0.000 0.986 457 E CA -0.555 55.857 56.400 0.020 0.000 0.796 457 E CB -0.309 29.402 29.700 0.019 0.000 1.085 457 E HN 0.105 nan 8.360 nan 0.000 0.398 458 L N 5.443 126.682 121.223 0.026 0.000 2.514 458 L HA 0.053 4.393 4.340 0.001 0.000 0.280 458 L C -1.264 175.608 176.870 0.004 0.000 1.223 458 L CA -1.159 53.697 54.840 0.027 0.000 0.864 458 L CB -0.138 41.979 42.059 0.096 0.000 1.118 458 L HN 0.462 nan 8.230 nan 0.000 0.494 459 P HA -0.254 nan 4.420 nan 0.000 0.211 459 P C 1.471 178.744 177.300 -0.044 0.000 1.181 459 P CA 1.038 64.124 63.100 -0.023 0.000 0.929 459 P CB 0.188 31.883 31.700 -0.009 0.000 0.789 460 Q N -0.532 119.262 119.800 -0.009 0.000 2.062 460 Q HA -0.229 4.111 4.340 0.001 0.000 0.209 460 Q C 2.181 178.153 176.000 -0.046 0.000 0.996 460 Q CA 2.448 58.241 55.803 -0.017 0.000 0.859 460 Q CB -1.471 27.281 28.738 0.023 0.000 0.920 460 Q HN 0.141 nan 8.270 nan 0.000 0.415 461 A N 0.360 123.167 122.820 -0.021 0.000 1.940 461 A HA -0.335 3.986 4.320 0.001 0.000 0.221 461 A C 2.002 179.527 177.584 -0.098 0.000 1.190 461 A CA 2.150 54.169 52.037 -0.031 0.000 0.647 461 A CB -0.624 18.377 19.000 0.002 0.000 0.821 461 A HN 0.403 nan 8.150 nan 0.000 0.457 462 K N -0.823 119.473 120.400 -0.173 0.000 2.002 462 K HA -0.079 4.242 4.320 0.001 0.000 0.209 462 K C 1.954 178.192 176.600 -0.603 0.000 1.048 462 K CA 1.425 57.467 56.287 -0.409 0.000 0.930 462 K CB -0.519 31.716 32.500 -0.442 0.000 0.714 462 K HN 0.294 nan 8.250 nan 0.000 0.438 463 V N 2.334 122.016 119.914 -0.386 0.000 2.278 463 V HA -0.284 3.836 4.120 0.001 0.000 0.251 463 V C 1.859 177.888 176.094 -0.109 0.000 1.062 463 V CA 1.951 64.113 62.300 -0.230 0.000 1.038 463 V CB -0.460 31.307 31.823 -0.093 0.000 0.646 463 V HN 0.396 nan 8.190 nan 0.000 0.447 464 E N -0.834 119.318 120.200 -0.079 0.000 2.478 464 E HA -0.152 4.199 4.350 0.001 0.000 0.198 464 E C 2.240 178.855 176.600 0.024 0.000 1.046 464 E CA 0.323 56.715 56.400 -0.013 0.000 0.870 464 E CB -0.034 29.659 29.700 -0.011 0.000 0.818 464 E HN 0.508 nan 8.360 nan 0.000 0.527 465 R N 0.028 120.534 120.500 0.011 0.000 2.146 465 R HA 0.019 4.360 4.340 0.001 0.000 0.206 465 R C 1.807 178.317 176.300 0.350 0.000 1.049 465 R CA 0.220 56.395 56.100 0.124 0.000 1.029 465 R CB 0.110 30.475 30.300 0.109 0.000 0.949 465 R HN 0.223 nan 8.270 nan 0.000 0.471 466 Y N 0.144 120.589 120.300 0.241 0.000 2.128 466 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 466 Y C 2.437 178.487 175.900 0.249 0.000 1.154 466 Y CA 0.946 59.243 58.100 0.329 0.000 1.149 466 Y CB -0.036 38.485 38.460 0.101 0.000 0.976 466 Y HN -0.094 nan 8.280 nan 0.000 0.505 467 V N 0.440 120.527 119.914 0.289 0.000 2.223 467 V HA -0.336 3.785 4.120 0.001 0.000 0.244 467 V C 2.307 178.488 176.094 0.145 0.000 1.045 467 V CA 2.190 64.592 62.300 0.171 0.000 1.000 467 V CB -0.564 31.318 31.823 0.098 0.000 0.635 467 V HN 0.312 nan 8.190 nan 0.000 0.445 468 K N -0.301 120.169 120.400 0.117 0.000 2.103 468 K HA -0.208 4.112 4.320 0.001 0.000 0.207 468 K C 2.130 178.766 176.600 0.060 0.000 1.048 468 K CA 2.044 58.376 56.287 0.074 0.000 0.930 468 K CB -0.111 32.420 32.500 0.052 0.000 0.716 468 K HN 0.613 nan 8.250 nan 0.000 0.444 469 E N -0.184 120.067 120.200 0.085 0.000 2.079 469 E HA -0.069 4.281 4.350 0.001 0.000 0.191 469 E C 1.596 178.116 176.600 -0.133 0.000 0.961 469 E CA 0.856 57.219 56.400 -0.060 0.000 0.823 469 E CB -0.728 28.887 29.700 -0.143 0.000 0.789 469 E HN 0.506 nan 8.360 nan 0.000 0.459 470 Y N 0.971 121.350 120.300 0.132 0.000 2.490 470 Y HA 0.199 4.750 4.550 0.001 0.000 0.281 470 Y C 0.534 176.485 175.900 0.084 0.000 1.174 470 Y CA 0.455 58.621 58.100 0.110 0.000 1.295 470 Y CB 0.649 39.200 38.460 0.152 0.000 1.062 470 Y HN 0.041 nan 8.280 nan 0.000 0.522 471 K N -0.002 120.508 120.400 0.183 0.000 3.088 471 K HA -0.214 4.107 4.320 0.001 0.000 0.273 471 K C -0.227 176.439 176.600 0.111 0.000 1.111 471 K CA 0.791 57.149 56.287 0.117 0.000 0.803 471 K CB -2.600 29.946 32.500 0.076 0.000 1.226 471 K HN 0.557 nan 8.250 nan 0.000 0.485 472 L N -2.258 119.044 121.223 0.133 0.000 2.431 472 L HA 0.545 4.886 4.340 0.001 0.000 0.260 472 L C 0.709 177.606 176.870 0.045 0.000 1.098 472 L CA -0.913 53.971 54.840 0.073 0.000 0.800 472 L CB 0.527 42.606 42.059 0.034 0.000 1.210 472 L HN -0.174 nan 8.230 nan 0.000 0.465 473 D N 0.321 120.731 120.400 0.016 0.000 2.506 473 D HA -0.041 4.600 4.640 0.001 0.000 0.234 473 D C 1.002 177.306 176.300 0.007 0.000 1.143 473 D CA 0.440 54.445 54.000 0.007 0.000 0.871 473 D CB 1.021 41.816 40.800 -0.007 0.000 1.190 473 D HN 0.565 nan 8.370 nan 0.000 0.459 474 R N 1.801 122.308 120.500 0.012 0.000 2.092 474 R HA -0.125 4.216 4.340 0.001 0.000 0.231 474 R C 2.137 178.437 176.300 -0.000 0.000 1.119 474 R CA 1.011 57.119 56.100 0.012 0.000 0.970 474 R CB -0.232 30.075 30.300 0.012 0.000 0.864 474 R HN 0.450 nan 8.270 nan 0.000 0.440 475 S N 0.859 116.555 115.700 -0.006 0.000 2.353 475 S HA -0.115 4.355 4.470 0.001 0.000 0.222 475 S C 2.012 176.597 174.600 -0.025 0.000 1.035 475 S CA 1.102 59.295 58.200 -0.012 0.000 1.025 475 S CB -0.164 63.030 63.200 -0.011 0.000 0.902 475 S HN 0.252 nan 8.310 nan 0.000 0.440 476 L N 1.013 122.213 121.223 -0.038 0.000 2.056 476 L HA -0.050 4.291 4.340 0.001 0.000 0.207 476 L C 3.056 179.867 176.870 -0.097 0.000 1.078 476 L CA 1.189 55.983 54.840 -0.076 0.000 0.749 476 L CB -0.962 41.039 42.059 -0.096 0.000 0.901 476 L HN 0.450 nan 8.230 nan 0.000 0.433 477 A N -0.527 122.260 122.820 -0.055 0.000 1.865 477 A HA -0.247 4.073 4.320 0.001 0.000 0.217 477 A C 2.288 179.876 177.584 0.007 0.000 1.191 477 A CA 1.519 53.559 52.037 0.006 0.000 0.623 477 A CB -0.478 18.564 19.000 0.069 0.000 0.826 477 A HN 0.379 nan 8.150 nan 0.000 0.444 478 Q N -0.808 118.988 119.800 -0.007 0.000 1.942 478 Q HA -0.142 4.199 4.340 0.001 0.000 0.203 478 Q C 2.251 178.243 176.000 -0.013 0.000 0.987 478 Q CA 2.158 57.955 55.803 -0.009 0.000 0.844 478 Q CB -1.282 27.452 28.738 -0.007 0.000 0.911 478 Q HN 0.610 nan 8.270 nan 0.000 0.423 479 T N 2.014 116.555 114.554 -0.022 0.000 2.918 479 T HA -0.154 4.196 4.350 0.001 0.000 0.271 479 T C 1.699 176.380 174.700 -0.031 0.000 1.104 479 T CA 0.736 62.822 62.100 -0.024 0.000 1.114 479 T CB -0.220 68.631 68.868 -0.028 0.000 0.855 479 T HN 0.042 nan 8.240 nan 0.000 0.518 480 L N 0.339 121.532 121.223 -0.050 0.000 2.131 480 L HA 0.107 4.447 4.340 0.001 0.000 0.206 480 L C 2.211 179.089 176.870 0.013 0.000 1.087 480 L CA 1.349 56.149 54.840 -0.065 0.000 0.767 480 L CB -0.227 41.712 42.059 -0.200 0.000 0.917 480 L HN 0.087 nan 8.230 nan 0.000 0.441 481 V N -1.414 118.517 119.914 0.029 0.000 2.492 481 V HA -0.060 4.060 4.120 0.001 0.000 0.241 481 V C 1.905 178.009 176.094 0.017 0.000 1.041 481 V CA 1.025 63.348 62.300 0.038 0.000 1.057 481 V CB -0.507 31.323 31.823 0.011 0.000 0.711 481 V HN 0.258 nan 8.190 nan 0.000 0.468 482 D N 0.699 121.103 120.400 0.006 0.000 2.315 482 D HA -0.142 4.498 4.640 0.001 0.000 0.211 482 D C 0.818 177.121 176.300 0.005 0.000 0.977 482 D CA 1.164 55.166 54.000 0.004 0.000 0.894 482 D CB -0.060 40.740 40.800 0.000 0.000 0.910 482 D HN 0.443 nan 8.370 nan 0.000 0.490 483 D N -0.464 119.940 120.400 0.007 0.000 2.670 483 D HA 0.133 4.774 4.640 0.001 0.000 0.255 483 D C 1.073 177.383 176.300 0.015 0.000 1.286 483 D CA 0.524 54.529 54.000 0.007 0.000 0.830 483 D CB 0.472 41.273 40.800 0.002 0.000 1.065 483 D HN 0.282 nan 8.370 nan 0.000 0.486 484 E N -0.607 119.606 120.200 0.021 0.000 3.449 484 E HA -0.396 3.954 4.350 0.001 0.000 0.289 484 E C 1.543 178.170 176.600 0.044 0.000 0.870 484 E CA 1.973 58.390 56.400 0.029 0.000 0.946 484 E CB -2.482 27.230 29.700 0.020 0.000 1.476 484 E HN 0.592 nan 8.360 nan 0.000 0.466 485 R N -0.839 119.689 120.500 0.046 0.000 2.339 485 R HA 0.330 4.671 4.340 0.001 0.000 0.199 485 R C 2.509 178.880 176.300 0.118 0.000 1.018 485 R CA 1.998 58.136 56.100 0.065 0.000 1.036 485 R CB -1.798 28.529 30.300 0.045 0.000 0.899 485 R HN 1.486 nan 8.270 nan 0.000 0.473 486 D N -0.379 120.098 120.400 0.128 0.000 2.254 486 D HA -0.200 4.441 4.640 0.001 0.000 0.201 486 D C 2.020 178.451 176.300 0.218 0.000 0.998 486 D CA 2.276 56.401 54.000 0.210 0.000 0.885 486 D CB -0.284 40.598 40.800 0.136 0.000 0.915 486 D HN 0.755 nan 8.370 nan 0.000 0.460 487 E N -0.899 119.380 120.200 0.133 0.000 2.045 487 E HA 0.350 4.700 4.350 0.001 0.000 0.190 487 E C 2.794 179.439 176.600 0.076 0.000 0.968 487 E CA 1.629 58.086 56.400 0.095 0.000 0.813 487 E CB -1.320 28.415 29.700 0.058 0.000 0.780 487 E HN 1.288 nan 8.360 nan 0.000 0.455 488 L N -0.054 121.212 121.223 0.071 0.000 2.021 488 L HA -0.030 4.310 4.340 0.001 0.000 0.215 488 L C 2.778 179.678 176.870 0.050 0.000 1.074 488 L CA 2.939 57.809 54.840 0.050 0.000 0.760 488 L CB -1.730 40.361 42.059 0.054 0.000 0.889 488 L HN 0.606 nan 8.230 nan 0.000 0.433 489 F N 1.284 121.192 119.950 -0.070 0.000 2.069 489 F HA -0.066 4.461 4.527 0.001 0.000 0.298 489 F C 2.799 178.485 175.800 -0.190 0.000 1.113 489 F CA 2.707 60.614 58.000 -0.155 0.000 1.214 489 F CB -0.897 37.969 39.000 -0.223 0.000 0.978 489 F HN 0.422 nan 8.300 nan 0.000 0.474 490 E N 0.553 120.623 120.200 -0.217 0.000 2.085 490 E HA -0.201 4.150 4.350 0.001 0.000 0.194 490 E C 2.002 178.456 176.600 -0.243 0.000 0.994 490 E CA 2.093 58.320 56.400 -0.287 0.000 0.801 490 E CB -1.717 27.986 29.700 0.004 0.000 0.743 490 E HN 0.666 nan 8.360 nan 0.000 0.453 491 E N -0.004 120.115 120.200 -0.134 0.000 2.077 491 E HA 0.136 4.486 4.350 0.001 0.000 0.193 491 E C 2.608 179.127 176.600 -0.135 0.000 0.989 491 E CA 2.517 58.859 56.400 -0.097 0.000 0.800 491 E CB -1.473 28.200 29.700 -0.045 0.000 0.746 491 E HN 1.160 nan 8.360 nan 0.000 0.452 492 L N 0.967 122.083 121.223 -0.178 0.000 1.948 492 L HA 0.286 4.626 4.340 0.001 0.000 0.212 492 L C 3.401 180.129 176.870 -0.238 0.000 1.074 492 L CA 3.373 58.108 54.840 -0.175 0.000 0.753 492 L CB -1.707 40.261 42.059 -0.151 0.000 0.888 492 L HN 0.808 nan 8.230 nan 0.000 0.432 493 V N -0.407 119.243 119.914 -0.438 0.000 2.439 493 V HA -0.247 3.874 4.120 0.001 0.000 0.253 493 V C 2.970 178.934 176.094 -0.217 0.000 1.074 493 V CA 4.034 66.087 62.300 -0.413 0.000 1.076 493 V CB -1.553 29.799 31.823 -0.785 0.000 0.664 493 V HN 1.001 nan 8.190 nan 0.000 0.461 494 S N -0.291 115.290 115.700 -0.198 0.000 2.420 494 S HA -0.074 4.397 4.470 0.001 0.000 0.237 494 S C 2.123 176.682 174.600 -0.069 0.000 1.023 494 S CA 3.269 61.410 58.200 -0.099 0.000 0.991 494 S CB -0.727 62.424 63.200 -0.082 0.000 0.792 494 S HN 1.545 nan 8.310 nan 0.000 0.488 495 M N 0.385 119.936 119.600 -0.082 0.000 2.691 495 M HA 0.515 4.995 4.480 0.001 0.000 0.227 495 M C 2.044 178.318 176.300 -0.043 0.000 1.120 495 M CA 1.101 56.369 55.300 -0.054 0.000 1.034 495 M CB -1.849 30.719 32.600 -0.054 0.000 1.675 495 M HN 1.601 nan 8.290 nan 0.000 0.514 496 G N -1.117 107.657 108.800 -0.044 0.000 2.205 496 G HA2 0.019 3.980 3.960 0.001 0.000 0.269 496 G HA3 0.019 3.980 3.960 0.001 0.000 0.269 496 G C 0.730 175.615 174.900 -0.024 0.000 0.977 496 G CA 0.912 45.998 45.100 -0.022 0.000 0.652 496 G HN 2.053 nan 8.290 nan 0.000 0.539 497 V N -0.378 119.509 119.914 -0.045 0.000 4.057 497 V HA 0.775 4.895 4.120 0.001 0.000 0.264 497 V C 2.021 178.091 176.094 -0.040 0.000 0.923 497 V CA 1.650 63.927 62.300 -0.040 0.000 0.799 497 V CB -0.765 31.030 31.823 -0.047 0.000 1.166 497 V HN 1.823 nan 8.190 nan 0.000 0.375 498 K N 0.979 121.359 120.400 -0.034 0.000 3.858 498 K HA -0.050 4.270 4.320 0.001 0.000 0.243 498 K C -0.684 175.914 176.600 -0.004 0.000 0.990 498 K CA 0.790 57.068 56.287 -0.014 0.000 1.078 498 K CB -2.703 29.791 32.500 -0.012 0.000 1.735 498 K HN 0.847 nan 8.250 nan 0.000 0.433 499 P HA -0.374 nan 4.420 nan 0.000 0.231 499 P C 1.326 178.697 177.300 0.118 0.000 1.032 499 P CA 3.821 66.965 63.100 0.074 0.000 1.048 499 P CB 0.090 31.835 31.700 0.075 0.000 0.731 500 S N -5.464 110.316 115.700 0.134 0.000 2.453 500 S HA 0.222 4.692 4.470 0.001 0.000 0.185 500 S C 1.592 176.297 174.600 0.175 0.000 0.794 500 S CA 0.516 58.865 58.200 0.249 0.000 1.376 500 S CB -1.099 62.270 63.200 0.282 0.000 0.954 500 S HN 0.203 nan 8.310 nan 0.000 0.339 501 L N 1.368 122.650 121.223 0.097 0.000 2.156 501 L HA 0.727 5.068 4.340 0.001 0.000 0.208 501 L C 2.910 179.807 176.870 0.045 0.000 1.095 501 L CA 2.337 57.206 54.840 0.049 0.000 0.770 501 L CB -2.014 40.069 42.059 0.039 0.000 0.914 501 L HN 1.133 nan 8.230 nan 0.000 0.439 502 A N -0.290 122.562 122.820 0.053 0.000 1.845 502 A HA 0.084 4.404 4.320 0.001 0.000 0.215 502 A C 2.797 180.410 177.584 0.048 0.000 1.195 502 A CA 2.662 54.722 52.037 0.037 0.000 0.616 502 A CB -1.059 17.957 19.000 0.027 0.000 0.832 502 A HN 1.202 nan 8.150 nan 0.000 0.443 503 A N -0.628 122.244 122.820 0.086 0.000 1.825 503 A HA 0.131 4.452 4.320 0.001 0.000 0.214 503 A C 2.672 180.329 177.584 0.121 0.000 1.206 503 A CA 2.845 54.962 52.037 0.132 0.000 0.609 503 A CB -1.520 17.603 19.000 0.205 0.000 0.851 503 A HN 1.068 nan 8.150 nan 0.000 0.445 504 S N -0.137 115.620 115.700 0.096 0.000 2.378 504 S HA -0.145 4.325 4.470 0.001 0.000 0.229 504 S C 2.272 176.833 174.600 -0.065 0.000 1.052 504 S CA 3.880 61.997 58.200 -0.139 0.000 1.084 504 S CB -1.524 61.514 63.200 -0.270 0.000 0.950 504 S HN 1.435 nan 8.310 nan 0.000 0.440 505 I N 1.087 121.641 120.570 -0.026 0.000 2.163 505 I HA 0.004 4.175 4.170 0.001 0.000 0.243 505 I C 2.596 178.708 176.117 -0.007 0.000 1.085 505 I CA 1.993 63.284 61.300 -0.016 0.000 1.347 505 I CB -1.511 36.487 38.000 -0.003 0.000 1.044 505 I HN 0.597 nan 8.210 nan 0.000 0.408 506 L N -0.184 121.043 121.223 0.007 0.000 1.933 506 L HA -0.238 4.102 4.340 0.001 0.000 0.220 506 L C 2.681 179.554 176.870 0.005 0.000 1.078 506 L CA 2.022 56.867 54.840 0.009 0.000 0.773 506 L CB -1.062 41.008 42.059 0.019 0.000 0.890 506 L HN 0.435 nan 8.230 nan 0.000 0.434 507 V N -0.157 119.764 119.914 0.012 0.000 2.221 507 V HA -0.341 3.779 4.120 0.001 0.000 0.244 507 V C 2.559 178.647 176.094 -0.010 0.000 1.043 507 V CA 2.357 64.662 62.300 0.007 0.000 0.996 507 V CB -0.981 30.855 31.823 0.022 0.000 0.636 507 V HN 0.480 nan 8.190 nan 0.000 0.454 508 V N -0.763 119.132 119.914 -0.030 0.000 2.453 508 V HA -0.203 3.917 4.120 0.001 0.000 0.252 508 V C 2.223 178.304 176.094 -0.023 0.000 1.068 508 V CA 3.167 65.446 62.300 -0.035 0.000 1.070 508 V CB -0.529 31.256 31.823 -0.062 0.000 0.664 508 V HN 0.317 nan 8.190 nan 0.000 0.461 509 V N -1.321 118.582 119.914 -0.019 0.000 2.784 509 V HA 0.153 4.274 4.120 0.001 0.000 0.231 509 V C 2.580 178.670 176.094 -0.007 0.000 1.128 509 V CA 1.319 63.611 62.300 -0.013 0.000 1.178 509 V CB -0.030 31.785 31.823 -0.013 0.000 0.943 509 V HN 0.634 nan 8.190 nan 0.000 0.500 510 L N 1.044 122.265 121.223 -0.004 0.000 1.965 510 L HA -0.267 4.074 4.340 0.001 0.000 0.226 510 L C 2.852 179.721 176.870 -0.001 0.000 1.083 510 L CA 4.741 59.581 54.840 -0.001 0.000 0.790 510 L CB -2.369 39.691 42.059 0.001 0.000 0.898 510 L HN 0.548 nan 8.230 nan 0.000 0.439 511 K N -0.303 120.097 120.400 0.000 0.000 2.030 511 K HA -0.027 4.293 4.320 0.001 0.000 0.222 511 K C 1.955 178.555 176.600 -0.000 0.000 1.056 511 K CA 2.346 58.633 56.287 0.001 0.000 0.957 511 K CB -2.164 30.338 32.500 0.002 0.000 0.727 511 K HN 1.907 nan 8.250 nan 0.000 0.452 512 G N 0.000 108.799 108.800 -0.002 0.000 5.446 512 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 512 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 512 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 512 G HN 0.000 nan 8.290 nan 0.000 0.925