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_C 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 0.000 174.756 174.700 0.093 0.000 1.109 5 T CA 0.000 62.147 62.100 0.078 0.000 1.349 5 T CB 0.000 68.888 68.868 0.034 0.000 0.612 6 D N 2.669 123.154 120.400 0.141 0.000 2.398 6 D HA 0.254 5.012 4.640 0.197 0.000 0.247 6 D C 1.124 177.401 176.300 -0.038 0.000 1.227 6 D CA -0.535 53.566 54.000 0.169 0.000 0.980 6 D CB 1.223 42.246 40.800 0.372 0.000 1.106 6 D HN 0.560 nan 8.370 nan 0.000 0.493 7 K N -0.551 119.759 120.400 -0.151 0.000 2.098 7 K HA 0.017 4.455 4.320 0.197 0.000 0.203 7 K C -0.008 176.044 176.600 -0.913 0.000 1.051 7 K CA 0.750 56.703 56.287 -0.556 0.000 0.957 7 K CB 0.275 32.352 32.500 -0.704 0.000 0.738 7 K HN 0.253 nan 8.250 nan 0.000 0.447 8 F N 0.241 119.869 119.950 -0.537 0.000 2.611 8 F HA 0.336 4.981 4.527 0.197 0.000 0.324 8 F C -0.001 175.380 175.800 -0.699 0.000 1.061 8 F CA -1.367 56.271 58.000 -0.604 0.000 0.954 8 F CB 1.087 39.683 39.000 -0.673 0.000 1.301 8 F HN -0.212 nan 8.300 nan 0.000 0.482 9 N N 1.685 120.279 118.700 -0.177 0.000 3.124 9 N HA 0.061 4.919 4.740 0.197 0.000 0.284 9 N C 0.337 175.824 175.510 -0.039 0.000 1.209 9 N CA 0.024 53.029 53.050 -0.075 0.000 1.149 9 N CB -0.268 38.222 38.487 0.007 0.000 1.434 9 N HN 0.609 nan 8.380 nan 0.000 0.529 10 Y N -0.071 120.303 120.300 0.123 0.000 2.653 10 Y HA -0.241 4.428 4.550 0.197 0.000 0.271 10 Y C 1.961 177.915 175.900 0.091 0.000 1.177 10 Y CA 0.689 58.835 58.100 0.076 0.000 1.527 10 Y CB -0.012 38.448 38.460 -0.001 0.000 0.955 10 Y HN 0.309 nan 8.280 nan 0.000 0.612 11 E N 0.002 120.325 120.200 0.206 0.000 2.166 11 E HA -0.059 4.409 4.350 0.197 0.000 0.192 11 E C 1.772 178.425 176.600 0.088 0.000 0.967 11 E CA 0.734 57.228 56.400 0.157 0.000 0.840 11 E CB 0.054 29.844 29.700 0.150 0.000 0.795 11 E HN 0.514 nan 8.360 nan 0.000 0.470 12 E N 0.253 120.490 120.200 0.063 0.000 2.017 12 E HA -0.091 4.377 4.350 0.197 0.000 0.193 12 E C 0.191 176.804 176.600 0.021 0.000 0.997 12 E CA 0.579 56.998 56.400 0.032 0.000 0.804 12 E CB -0.223 29.488 29.700 0.018 0.000 0.757 12 E HN 0.192 nan 8.360 nan 0.000 0.448 13 L N 1.947 123.177 121.223 0.012 0.000 2.433 13 L HA 0.131 4.589 4.340 0.197 0.000 0.275 13 L C 1.028 177.919 176.870 0.035 0.000 1.128 13 L CA -0.448 54.389 54.840 -0.005 0.000 0.875 13 L CB 0.118 42.147 42.059 -0.050 0.000 1.171 13 L HN 0.118 nan 8.230 nan 0.000 0.463 14 G N 4.831 113.645 108.800 0.024 0.000 2.990 14 G HA2 0.102 4.180 3.960 0.197 0.000 0.256 14 G HA3 0.102 4.180 3.960 0.197 0.000 0.256 14 G C 0.258 175.187 174.900 0.047 0.000 0.798 14 G CA -0.437 44.684 45.100 0.036 0.000 2.012 14 G HN 0.489 nan 8.290 nan 0.000 0.598 15 L N 1.137 122.407 121.223 0.078 0.000 2.559 15 L HA 0.214 4.672 4.340 0.197 0.000 0.274 15 L C -0.201 176.704 176.870 0.058 0.000 1.205 15 L CA 0.324 55.207 54.840 0.071 0.000 0.907 15 L CB 0.226 42.353 42.059 0.113 0.000 1.153 15 L HN 0.087 nan 8.230 nan 0.000 0.490 16 K N 5.290 125.706 120.400 0.026 0.000 2.471 16 K HA 0.640 5.078 4.320 0.197 0.000 0.252 16 K C -1.376 175.222 176.600 -0.004 0.000 0.938 16 K CA -0.640 55.661 56.287 0.023 0.000 0.796 16 K CB 2.186 34.699 32.500 0.021 0.000 1.161 16 K HN 0.414 nan 8.250 nan 0.000 0.425 17 V N 0.672 120.577 119.914 -0.016 0.000 2.876 17 V HA 0.746 4.985 4.120 0.197 0.000 0.312 17 V C 0.195 176.275 176.094 -0.024 0.000 1.085 17 V CA -0.871 61.408 62.300 -0.036 0.000 0.945 17 V CB 2.322 34.099 31.823 -0.077 0.000 1.017 17 V HN 0.918 nan 8.190 nan 0.000 0.428 18 G N 1.952 110.739 108.800 -0.023 0.000 2.569 18 G HA2 0.758 4.836 3.960 0.197 0.000 0.300 18 G HA3 0.758 4.836 3.960 0.197 0.000 0.300 18 G C -2.130 172.756 174.900 -0.022 0.000 1.269 18 G CA -0.630 44.460 45.100 -0.016 0.000 0.959 18 G HN 0.481 nan 8.290 nan 0.000 0.478 19 L N -0.086 121.124 121.223 -0.021 0.000 2.408 19 L HA 0.757 5.215 4.340 0.197 0.000 0.268 19 L C -0.959 175.888 176.870 -0.038 0.000 0.986 19 L CA -0.726 54.098 54.840 -0.027 0.000 0.820 19 L CB 2.458 44.504 42.059 -0.022 0.000 1.303 19 L HN 0.529 nan 8.230 nan 0.000 0.411 20 E N 3.269 123.440 120.200 -0.047 0.000 2.246 20 E HA 0.683 5.151 4.350 0.197 0.000 0.266 20 E C -1.587 174.947 176.600 -0.110 0.000 0.880 20 E CA -0.094 56.253 56.400 -0.088 0.000 0.762 20 E CB 1.663 31.326 29.700 -0.062 0.000 1.180 20 E HN 0.431 nan 8.360 nan 0.000 0.416 21 I N 3.804 124.264 120.570 -0.183 0.000 2.534 21 I HA 0.333 4.621 4.170 0.197 0.000 0.288 21 I C -0.696 175.277 176.117 -0.239 0.000 1.077 21 I CA -0.757 60.456 61.300 -0.146 0.000 1.051 21 I CB 1.543 39.496 38.000 -0.078 0.000 1.234 21 I HN 0.426 nan 8.210 nan 0.000 0.425 22 H N 4.988 124.053 119.070 -0.008 0.000 2.492 22 H HA 0.682 5.357 4.556 0.198 0.000 0.345 22 H C -0.833 174.489 175.328 -0.010 0.000 1.136 22 H CA -0.866 55.179 56.048 -0.005 0.000 1.202 22 H CB 2.357 32.119 29.762 0.000 0.000 1.524 22 H HN 0.363 nan 8.280 nan 0.000 0.506 23 R N 1.213 121.780 120.500 0.112 0.000 2.566 23 R HA 0.174 4.632 4.340 0.197 0.000 0.271 23 R C -1.270 175.055 176.300 0.042 0.000 1.071 23 R CA -0.610 55.521 56.100 0.052 0.000 0.915 23 R CB 1.455 31.763 30.300 0.013 0.000 1.228 23 R HN 0.635 nan 8.270 nan 0.000 0.449 24 Q N 3.892 123.706 119.800 0.023 0.000 2.235 24 Q HA 0.435 4.894 4.340 0.197 0.000 0.250 24 Q C -0.310 175.689 176.000 -0.001 0.000 0.909 24 Q CA -0.664 55.145 55.803 0.010 0.000 0.910 24 Q CB 1.702 30.438 28.738 -0.003 0.000 1.223 24 Q HN 0.424 nan 8.270 nan 0.000 0.432 25 L N 1.518 122.738 121.223 -0.005 0.000 2.312 25 L HA 0.203 4.661 4.340 0.197 0.000 0.281 25 L C 0.490 177.350 176.870 -0.018 0.000 1.070 25 L CA -0.655 54.178 54.840 -0.012 0.000 0.805 25 L CB 0.694 42.745 42.059 -0.013 0.000 1.174 25 L HN 0.604 nan 8.230 nan 0.000 0.434 26 D N 2.293 122.684 120.400 -0.016 0.000 2.934 26 D HA 0.045 4.803 4.640 0.197 0.000 0.237 26 D C 0.358 176.646 176.300 -0.020 0.000 1.158 26 D CA 0.010 54.000 54.000 -0.017 0.000 0.971 26 D CB 0.051 40.844 40.800 -0.013 0.000 1.123 26 D HN 0.720 nan 8.370 nan 0.000 0.467 27 T N -2.620 111.918 114.554 -0.026 0.000 2.678 27 T HA 0.512 4.981 4.350 0.197 0.000 0.260 27 T C 0.426 175.104 174.700 -0.036 0.000 0.932 27 T CA -0.824 61.258 62.100 -0.030 0.000 1.043 27 T CB 1.353 70.200 68.868 -0.036 0.000 1.413 27 T HN -0.050 nan 8.240 nan 0.000 0.568 28 K N 0.559 120.936 120.400 -0.039 0.000 2.098 28 K HA 0.419 4.857 4.320 0.197 0.000 0.244 28 K C -0.129 176.438 176.600 -0.054 0.000 1.014 28 K CA -0.832 55.432 56.287 -0.039 0.000 0.917 28 K CB 0.476 32.960 32.500 -0.028 0.000 1.072 28 K HN 0.411 nan 8.250 nan 0.000 0.477 29 K N 1.216 121.582 120.400 -0.056 0.000 2.489 29 K HA -0.079 4.359 4.320 0.197 0.000 0.278 29 K C 1.063 177.641 176.600 -0.035 0.000 1.000 29 K CA -0.161 56.081 56.287 -0.074 0.000 1.012 29 K CB 0.272 32.678 32.500 -0.158 0.000 0.903 29 K HN 0.378 nan 8.250 nan 0.000 0.485 30 L N 2.804 123.992 121.223 -0.059 0.000 2.137 30 L HA -0.185 4.273 4.340 0.197 0.000 0.213 30 L C 0.668 177.184 176.870 -0.589 0.000 1.085 30 L CA 1.968 56.648 54.840 -0.267 0.000 0.760 30 L CB -0.095 41.846 42.059 -0.197 0.000 0.893 30 L HN 0.621 nan 8.230 nan 0.000 0.434 31 F N -1.758 118.268 119.950 0.127 0.000 2.814 31 F HA 0.405 5.049 4.527 0.196 0.000 0.326 31 F C 0.320 176.152 175.800 0.053 0.000 1.159 31 F CA -0.143 57.874 58.000 0.027 0.000 1.234 31 F CB 0.581 39.538 39.000 -0.072 0.000 1.016 31 F HN -0.089 nan 8.300 nan 0.000 0.510 32 S N 0.174 116.001 115.700 0.211 0.000 2.586 32 S HA 0.267 4.855 4.470 0.197 0.000 0.296 32 S C -2.883 171.781 174.600 0.106 0.000 1.120 32 S CA -0.873 57.429 58.200 0.171 0.000 0.927 32 S CB 1.210 64.567 63.200 0.262 0.000 1.114 32 S HN -0.159 nan 8.310 nan 0.000 0.453 33 P HA 0.062 nan 4.420 nan 0.000 0.234 33 P C -0.874 176.447 177.300 0.034 0.000 1.457 33 P CA 0.445 63.561 63.100 0.027 0.000 0.891 33 P CB -0.282 31.430 31.700 0.021 0.000 1.734 34 V N 1.671 121.608 119.914 0.039 0.000 2.495 34 V HA 0.331 4.570 4.120 0.197 0.000 0.298 34 V C -2.125 173.965 176.094 -0.007 0.000 1.031 34 V CA -2.577 59.740 62.300 0.027 0.000 0.871 34 V CB 2.086 33.937 31.823 0.047 0.000 0.988 34 V HN 0.012 nan 8.190 nan 0.000 0.432 35 P HA 0.011 nan 4.420 nan 0.000 0.262 35 P C 0.295 177.574 177.300 -0.035 0.000 1.182 35 P CA 0.222 63.312 63.100 -0.016 0.000 0.761 35 P CB 0.349 32.046 31.700 -0.004 0.000 0.795 36 S N 1.884 117.559 115.700 -0.042 0.000 3.122 36 S HA 0.098 4.686 4.470 0.197 0.000 0.249 36 S C 0.266 174.840 174.600 -0.044 0.000 1.334 36 S CA -0.364 57.801 58.200 -0.057 0.000 1.251 36 S CB -0.876 62.291 63.200 -0.056 0.000 1.034 36 S HN 0.360 nan 8.310 nan 0.000 0.478 37 E N 0.957 121.136 120.200 -0.035 0.000 2.313 37 E HA 0.452 4.920 4.350 0.197 0.000 0.272 37 E C -0.426 176.155 176.600 -0.031 0.000 1.038 37 E CA -0.513 55.872 56.400 -0.025 0.000 0.863 37 E CB 0.929 30.620 29.700 -0.014 0.000 1.060 37 E HN 0.453 nan 8.360 nan 0.000 0.402 38 L N 1.300 122.507 121.223 -0.026 0.000 2.334 38 L HA 0.515 4.973 4.340 0.197 0.000 0.272 38 L C -0.099 176.758 176.870 -0.022 0.000 1.020 38 L CA -0.628 54.194 54.840 -0.028 0.000 0.812 38 L CB 1.867 43.910 42.059 -0.026 0.000 1.264 38 L HN 0.441 nan 8.230 nan 0.000 0.439 39 S N -0.193 115.492 115.700 -0.025 0.000 2.536 39 S HA 0.317 4.906 4.470 0.197 0.000 0.271 39 S C -0.600 173.984 174.600 -0.027 0.000 1.134 39 S CA -0.654 57.533 58.200 -0.020 0.000 0.897 39 S CB 1.663 64.853 63.200 -0.016 0.000 1.094 39 S HN 0.636 nan 8.310 nan 0.000 0.473 40 D N 2.304 122.691 120.400 -0.021 0.000 2.340 40 D HA 0.212 4.971 4.640 0.197 0.000 0.217 40 D C 0.513 176.797 176.300 -0.026 0.000 1.081 40 D CA 0.273 54.258 54.000 -0.025 0.000 0.842 40 D CB 0.537 41.326 40.800 -0.019 0.000 0.934 40 D HN 0.666 nan 8.370 nan 0.000 0.511 41 K N 0.847 121.234 120.400 -0.022 0.000 2.262 41 K HA 0.469 4.907 4.320 0.197 0.000 0.282 41 K C -0.245 176.327 176.600 -0.048 0.000 1.066 41 K CA -0.466 55.812 56.287 -0.015 0.000 0.901 41 K CB 1.010 33.516 32.500 0.011 0.000 1.089 41 K HN -0.061 nan 8.250 nan 0.000 0.476 42 V N 3.990 123.868 119.914 -0.060 0.000 2.313 42 V HA 0.219 4.457 4.120 0.197 0.000 0.278 42 V C 0.481 176.518 176.094 -0.094 0.000 1.017 42 V CA -0.438 61.786 62.300 -0.126 0.000 0.823 42 V CB 0.853 32.605 31.823 -0.119 0.000 1.010 42 V HN 1.005 nan 8.190 nan 0.000 0.443 43 E N 3.986 124.103 120.200 -0.139 0.000 2.415 43 E HA 0.217 4.685 4.350 0.197 0.000 0.197 43 E C -0.080 176.560 176.600 0.065 0.000 1.007 43 E CA 0.521 56.934 56.400 0.022 0.000 0.890 43 E CB 0.702 30.503 29.700 0.168 0.000 0.891 43 E HN 0.714 nan 8.360 nan 0.000 0.496 44 F N -1.947 117.897 119.950 -0.178 0.000 2.741 44 F HA 0.672 5.276 4.527 0.130 0.000 0.313 44 F C -0.911 174.877 175.800 -0.021 0.000 1.153 44 F CA -1.088 56.857 58.000 -0.092 0.000 0.931 44 F CB 1.766 40.647 39.000 -0.199 0.000 1.335 44 F HN -0.312 nan 8.300 nan 0.000 0.460 45 T N 1.166 115.899 114.554 0.298 0.000 2.889 45 T HA 0.756 5.224 4.350 0.197 0.000 0.315 45 T C -2.031 172.891 174.700 0.371 0.000 1.291 45 T CA -0.565 61.617 62.100 0.138 0.000 1.028 45 T CB 1.288 70.157 68.868 0.003 0.000 1.235 45 T HN 1.243 nan 8.240 nan 0.000 0.491 46 F N 1.143 121.231 119.950 0.230 0.000 2.613 46 F HA 0.738 5.342 4.527 0.128 0.000 0.310 46 F C -0.870 175.051 175.800 0.202 0.000 1.085 46 F CA -1.093 57.042 58.000 0.224 0.000 0.945 46 F CB 1.733 40.889 39.000 0.261 0.000 1.298 46 F HN 0.609 nan 8.300 nan 0.000 0.455 47 Q N 3.010 122.971 119.800 0.267 0.000 2.274 47 Q HA 0.703 5.161 4.340 0.197 0.000 0.260 47 Q C -1.519 174.649 176.000 0.279 0.000 0.974 47 Q CA -0.771 55.117 55.803 0.143 0.000 0.876 47 Q CB 2.160 30.945 28.738 0.079 0.000 1.297 47 Q HN 0.980 nan 8.270 nan 0.000 0.446 48 R N 1.220 121.858 120.500 0.230 0.000 2.739 48 R HA 0.515 4.973 4.340 0.197 0.000 0.271 48 R C -1.542 174.894 176.300 0.226 0.000 1.010 48 R CA -0.440 55.853 56.100 0.320 0.000 0.897 48 R CB 1.780 32.428 30.300 0.580 0.000 1.236 48 R HN 0.672 nan 8.270 nan 0.000 0.466 49 R N 2.576 123.209 120.500 0.222 0.000 2.628 49 R HA 0.524 4.982 4.340 0.197 0.000 0.288 49 R C -0.843 175.619 176.300 0.270 0.000 0.980 49 R CA -0.837 55.367 56.100 0.172 0.000 0.891 49 R CB 1.768 32.131 30.300 0.105 0.000 1.188 49 R HN 0.347 nan 8.270 nan 0.000 0.450 50 L N 2.539 123.977 121.223 0.358 0.000 2.352 50 L HA 0.640 5.099 4.340 0.197 0.000 0.269 50 L C 0.121 177.108 176.870 0.195 0.000 1.034 50 L CA -0.939 54.067 54.840 0.276 0.000 0.806 50 L CB 1.314 43.553 42.059 0.299 0.000 1.244 50 L HN 0.429 nan 8.230 nan 0.000 0.447 51 R N 1.200 121.726 120.500 0.043 0.000 2.621 51 R HA 0.479 4.937 4.340 0.197 0.000 0.284 51 R C -2.497 173.677 176.300 -0.209 0.000 0.998 51 R CA -1.787 54.187 56.100 -0.210 0.000 0.895 51 R CB 1.587 31.737 30.300 -0.250 0.000 1.195 51 R HN 0.367 nan 8.270 nan 0.000 0.450 52 P HA 0.053 nan 4.420 nan 0.000 0.272 52 P C -0.600 176.610 177.300 -0.150 0.000 1.243 52 P CA 0.005 62.998 63.100 -0.178 0.000 0.803 52 P CB 0.502 32.085 31.700 -0.195 0.000 0.974 53 T N 0.205 114.697 114.554 -0.103 0.000 2.893 53 T HA 0.453 4.921 4.350 0.197 0.000 0.293 53 T C 0.021 174.664 174.700 -0.096 0.000 1.027 53 T CA -0.604 61.435 62.100 -0.101 0.000 0.988 53 T CB 0.855 69.657 68.868 -0.109 0.000 1.043 53 T HN 0.219 nan 8.240 nan 0.000 0.461 54 M N 2.207 121.754 119.600 -0.088 0.000 2.232 54 M HA 0.303 4.901 4.480 0.197 0.000 0.321 54 M C 1.055 177.305 176.300 -0.083 0.000 1.101 54 M CA -0.283 54.974 55.300 -0.072 0.000 1.181 54 M CB 0.332 32.896 32.600 -0.059 0.000 1.432 54 M HN 0.754 nan 8.290 nan 0.000 0.457 55 S N 0.491 116.152 115.700 -0.065 0.000 2.738 55 S HA 0.247 4.835 4.470 0.197 0.000 0.284 55 S C 0.702 175.267 174.600 -0.059 0.000 1.146 55 S CA -0.704 57.456 58.200 -0.066 0.000 0.997 55 S CB 0.808 63.980 63.200 -0.047 0.000 1.081 55 S HN 0.725 nan 8.310 nan 0.000 0.553 56 E N 0.153 120.320 120.200 -0.054 0.000 2.233 56 E HA -0.151 4.317 4.350 0.197 0.000 0.199 56 E C 0.489 177.069 176.600 -0.033 0.000 1.004 56 E CA 1.300 57.673 56.400 -0.044 0.000 0.819 56 E CB -0.983 28.695 29.700 -0.036 0.000 0.738 56 E HN 0.582 nan 8.360 nan 0.000 0.478 57 L N -3.208 117.997 121.223 -0.030 0.000 2.784 57 L HA 0.659 5.117 4.340 0.197 0.000 0.241 57 L C 0.889 177.746 176.870 -0.021 0.000 1.352 57 L CA -0.190 54.637 54.840 -0.022 0.000 0.911 57 L CB 0.535 42.584 42.059 -0.017 0.000 1.227 57 L HN 0.074 nan 8.230 nan 0.000 0.501 58 G N -0.848 107.937 108.800 -0.025 0.000 2.256 58 G HA2 -0.317 3.761 3.960 0.197 0.000 0.279 58 G HA3 -0.317 3.761 3.960 0.197 0.000 0.279 58 G C 0.350 175.237 174.900 -0.022 0.000 0.998 58 G CA 0.916 46.001 45.100 -0.024 0.000 0.720 58 G HN 0.640 nan 8.290 nan 0.000 0.521 59 E N -0.490 119.696 120.200 -0.023 0.000 2.349 59 E HA 0.475 4.943 4.350 0.197 0.000 0.265 59 E C 0.239 176.824 176.600 -0.025 0.000 1.064 59 E CA -0.605 55.784 56.400 -0.018 0.000 0.886 59 E CB 0.880 30.572 29.700 -0.014 0.000 1.036 59 E HN 0.116 nan 8.360 nan 0.000 0.413 60 I N 2.273 122.833 120.570 -0.016 0.000 2.406 60 I HA 0.090 4.378 4.170 0.197 0.000 0.290 60 I C 0.089 176.203 176.117 -0.005 0.000 0.999 60 I CA -0.742 60.546 61.300 -0.021 0.000 1.124 60 I CB 1.351 39.341 38.000 -0.018 0.000 1.289 60 I HN 0.481 nan 8.210 nan 0.000 0.441 61 D N 8.544 128.939 120.400 -0.008 0.000 2.472 61 D HA 0.015 4.773 4.640 0.197 0.000 0.248 61 D C -1.643 174.672 176.300 0.024 0.000 1.174 61 D CA -1.010 52.995 54.000 0.008 0.000 0.883 61 D CB 1.718 42.525 40.800 0.010 0.000 1.149 61 D HN 0.226 nan 8.370 nan 0.000 0.488 62 P HA -0.208 nan 4.420 nan 0.000 0.215 62 P C 0.989 178.321 177.300 0.053 0.000 1.163 62 P CA 2.252 65.376 63.100 0.041 0.000 0.894 62 P CB 0.103 31.825 31.700 0.036 0.000 0.791 63 A N 0.026 122.876 122.820 0.050 0.000 1.849 63 A HA -0.232 4.207 4.320 0.197 0.000 0.217 63 A C 2.399 180.028 177.584 0.075 0.000 1.202 63 A CA 2.844 54.916 52.037 0.060 0.000 0.629 63 A CB -1.796 17.235 19.000 0.053 0.000 0.834 63 A HN 0.206 nan 8.150 nan 0.000 0.447 64 A N -0.807 122.053 122.820 0.066 0.000 1.940 64 A HA -0.075 4.363 4.320 0.197 0.000 0.219 64 A C 2.245 179.890 177.584 0.102 0.000 1.176 64 A CA 1.612 53.695 52.037 0.077 0.000 0.631 64 A CB -0.601 18.425 19.000 0.043 0.000 0.814 64 A HN 0.639 nan 8.150 nan 0.000 0.446 65 L N -0.690 120.585 121.223 0.087 0.000 2.027 65 L HA -0.182 4.277 4.340 0.197 0.000 0.206 65 L C 2.585 179.564 176.870 0.181 0.000 1.074 65 L CA 2.202 57.120 54.840 0.130 0.000 0.745 65 L CB -0.418 41.695 42.059 0.090 0.000 0.898 65 L HN 0.638 nan 8.230 nan 0.000 0.433 66 E N -0.032 120.242 120.200 0.124 0.000 2.097 66 E HA -0.358 4.110 4.350 0.197 0.000 0.196 66 E C 1.952 178.627 176.600 0.124 0.000 1.000 66 E CA 1.965 58.429 56.400 0.107 0.000 0.804 66 E CB -0.016 29.733 29.700 0.082 0.000 0.740 66 E HN 0.517 nan 8.360 nan 0.000 0.454 67 E N -0.309 119.979 120.200 0.148 0.000 2.204 67 E HA -0.174 4.294 4.350 0.197 0.000 0.194 67 E C 1.678 178.408 176.600 0.217 0.000 0.989 67 E CA 0.860 57.360 56.400 0.167 0.000 0.824 67 E CB -0.416 29.394 29.700 0.185 0.000 0.756 67 E HN 0.319 nan 8.360 nan 0.000 0.477 68 F N 1.365 121.348 119.950 0.055 0.000 2.146 68 F HA -0.017 4.627 4.527 0.194 0.000 0.298 68 F C 1.716 177.527 175.800 0.019 0.000 1.096 68 F CA 1.478 59.502 58.000 0.040 0.000 1.275 68 F CB -0.181 38.842 39.000 0.040 0.000 1.008 68 F HN -0.058 nan 8.300 nan 0.000 0.480 69 K N 0.245 120.681 120.400 0.061 0.000 2.103 69 K HA -0.192 4.246 4.320 0.197 0.000 0.207 69 K C 1.884 178.438 176.600 -0.077 0.000 1.048 69 K CA 1.671 57.925 56.287 -0.056 0.000 0.930 69 K CB -0.236 32.277 32.500 0.022 0.000 0.716 69 K HN 0.234 nan 8.250 nan 0.000 0.444 70 K N 0.062 120.449 120.400 -0.022 0.000 2.442 70 K HA -0.060 4.378 4.320 0.197 0.000 0.198 70 K C 0.775 177.329 176.600 -0.077 0.000 1.044 70 K CA 0.630 56.900 56.287 -0.029 0.000 0.948 70 K CB -0.206 32.300 32.500 0.011 0.000 0.762 70 K HN 0.367 nan 8.250 nan 0.000 0.472 71 G N 2.579 111.300 108.800 -0.132 0.000 2.393 71 G HA2 -0.320 3.758 3.960 0.197 0.000 0.299 71 G HA3 -0.320 3.758 3.960 0.197 0.000 0.299 71 G C -0.467 174.341 174.900 -0.154 0.000 0.990 71 G CA 0.371 45.364 45.100 -0.178 0.000 1.118 71 G HN 0.319 nan 8.290 nan 0.000 0.513 72 R N -1.186 119.214 120.500 -0.167 0.000 2.486 72 R HA 0.630 5.088 4.340 0.197 0.000 0.286 72 R C -0.039 175.998 176.300 -0.438 0.000 0.999 72 R CA -0.772 55.186 56.100 -0.238 0.000 0.993 72 R CB 2.150 32.342 30.300 -0.180 0.000 1.084 72 R HN 0.149 nan 8.270 nan 0.000 0.487 73 V N 3.458 123.128 119.914 -0.407 0.000 2.732 73 V HA 0.397 4.635 4.120 0.197 0.000 0.310 73 V C -1.248 174.522 176.094 -0.541 0.000 1.053 73 V CA -0.621 61.414 62.300 -0.441 0.000 0.957 73 V CB 1.416 33.119 31.823 -0.201 0.000 1.018 73 V HN 0.593 nan 8.190 nan 0.000 0.452 74 Y N 4.069 124.313 120.300 -0.094 0.000 2.342 74 Y HA 0.574 5.239 4.550 0.191 0.000 0.338 74 Y C 0.081 175.667 175.900 -0.523 0.000 0.965 74 Y CA -0.959 56.967 58.100 -0.291 0.000 1.159 74 Y CB 1.756 40.036 38.460 -0.299 0.000 1.157 74 Y HN 0.325 nan 8.280 nan 0.000 0.486 75 V N 4.673 124.360 119.914 -0.379 0.000 2.427 75 V HA 0.303 4.542 4.120 0.197 0.000 0.286 75 V C -0.780 174.959 176.094 -0.593 0.000 1.034 75 V CA -1.097 60.964 62.300 -0.398 0.000 0.893 75 V CB 0.691 32.384 31.823 -0.216 0.000 0.982 75 V HN 0.592 nan 8.190 nan 0.000 0.452 76 Y N 2.203 122.243 120.300 -0.434 0.000 2.364 76 Y HA 0.505 5.163 4.550 0.181 0.000 0.340 76 Y C 0.448 176.049 175.900 -0.499 0.000 0.975 76 Y CA -0.766 57.025 58.100 -0.514 0.000 1.089 76 Y CB 1.700 39.622 38.460 -0.897 0.000 1.192 76 Y HN 0.601 nan 8.280 nan 0.000 0.454 77 E N 1.757 121.868 120.200 -0.148 0.000 2.204 77 E HA 0.714 5.182 4.350 0.197 0.000 0.276 77 E C -0.289 176.132 176.600 -0.298 0.000 0.974 77 E CA -0.820 55.438 56.400 -0.237 0.000 0.815 77 E CB 1.993 31.596 29.700 -0.162 0.000 1.119 77 E HN 0.831 nan 8.360 nan 0.000 0.393 78 G N 1.831 110.271 108.800 -0.601 0.000 2.646 78 G HA2 0.260 4.338 3.960 0.197 0.000 0.291 78 G HA3 0.260 4.338 3.960 0.197 0.000 0.291 78 G C -1.453 172.949 174.900 -0.830 0.000 1.445 78 G CA -0.872 43.863 45.100 -0.607 0.000 0.814 78 G HN 0.567 nan 8.290 nan 0.000 0.495 79 N N -0.767 117.722 118.700 -0.352 0.000 2.404 79 N HA 0.233 5.092 4.740 0.197 0.000 0.297 79 N C 0.153 175.722 175.510 0.098 0.000 1.163 79 N CA -0.824 52.118 53.050 -0.179 0.000 0.864 79 N CB 1.803 40.271 38.487 -0.031 0.000 1.247 79 N HN 0.476 nan 8.380 nan 0.000 0.510 80 Y N -0.145 120.365 120.300 0.350 0.000 2.465 80 Y HA -0.095 4.555 4.550 0.167 0.000 0.289 80 Y C 1.871 177.873 175.900 0.169 0.000 1.150 80 Y CA 1.040 59.312 58.100 0.287 0.000 1.293 80 Y CB 0.062 38.630 38.460 0.179 0.000 0.977 80 Y HN 0.626 nan 8.280 nan 0.000 0.556 81 E N -0.853 119.497 120.200 0.250 0.000 2.389 81 E HA 0.126 4.594 4.350 0.197 0.000 0.199 81 E C 1.197 177.865 176.600 0.113 0.000 0.978 81 E CA 0.184 56.679 56.400 0.159 0.000 0.912 81 E CB 0.237 30.011 29.700 0.124 0.000 0.907 81 E HN 0.421 nan 8.360 nan 0.000 0.494 82 L N 0.348 121.630 121.223 0.099 0.000 2.766 82 L HA 0.213 4.671 4.340 0.197 0.000 0.242 82 L C 0.046 176.961 176.870 0.075 0.000 1.136 82 L CA 0.142 55.019 54.840 0.063 0.000 0.933 82 L CB 0.989 43.063 42.059 0.025 0.000 1.241 82 L HN -0.130 nan 8.230 nan 0.000 0.522 83 T N 1.102 115.734 114.554 0.130 0.000 2.791 83 T HA 0.301 4.769 4.350 0.197 0.000 0.288 83 T C -0.529 174.288 174.700 0.195 0.000 0.999 83 T CA -0.701 61.504 62.100 0.175 0.000 0.952 83 T CB 1.498 70.513 68.868 0.245 0.000 0.938 83 T HN 0.133 nan 8.240 nan 0.000 0.444 84 D N 3.104 123.610 120.400 0.176 0.000 2.384 84 D HA 0.299 5.057 4.640 0.197 0.000 0.250 84 D C 1.208 177.562 176.300 0.090 0.000 1.029 84 D CA -0.897 53.181 54.000 0.129 0.000 0.990 84 D CB 1.264 42.141 40.800 0.128 0.000 1.175 84 D HN 0.301 nan 8.370 nan 0.000 0.532 85 L N 0.416 121.651 121.223 0.021 0.000 2.079 85 L HA -0.176 4.283 4.340 0.197 0.000 0.210 85 L C 2.607 179.425 176.870 -0.086 0.000 1.081 85 L CA 0.782 55.594 54.840 -0.045 0.000 0.752 85 L CB -0.470 41.554 42.059 -0.059 0.000 0.896 85 L HN 0.302 nan 8.230 nan 0.000 0.433 86 V N -1.060 118.795 119.914 -0.098 0.000 2.380 86 V HA -0.314 3.924 4.120 0.197 0.000 0.251 86 V C 1.683 177.507 176.094 -0.450 0.000 1.063 86 V CA 1.858 63.997 62.300 -0.268 0.000 1.055 86 V CB -0.621 31.024 31.823 -0.297 0.000 0.657 86 V HN 0.396 nan 8.190 nan 0.000 0.455 87 Y N -2.029 118.251 120.300 -0.033 0.000 2.493 87 Y HA 0.288 4.953 4.550 0.192 0.000 0.275 87 Y C 1.843 177.702 175.900 -0.069 0.000 1.183 87 Y CA 0.221 58.289 58.100 -0.055 0.000 1.258 87 Y CB 0.195 38.639 38.460 -0.026 0.000 1.108 87 Y HN 0.174 nan 8.280 nan 0.000 0.521 88 M N -0.984 118.594 119.600 -0.038 0.000 2.331 88 M HA 0.085 4.683 4.480 0.197 0.000 0.266 88 M C 0.070 176.253 176.300 -0.195 0.000 1.055 88 M CA 0.505 55.734 55.300 -0.119 0.000 1.048 88 M CB 0.634 33.097 32.600 -0.228 0.000 1.460 88 M HN 0.188 nan 8.290 nan 0.000 0.519 89 D N 1.324 121.611 120.400 -0.188 0.000 2.988 89 D HA -0.140 4.618 4.640 0.197 0.000 0.221 89 D C -0.074 176.137 176.300 -0.148 0.000 1.122 89 D CA 0.737 54.626 54.000 -0.185 0.000 0.821 89 D CB -0.545 40.150 40.800 -0.174 0.000 1.098 89 D HN 0.321 nan 8.370 nan 0.000 0.433 90 E N 0.263 120.373 120.200 -0.150 0.000 2.651 90 E HA 0.255 4.723 4.350 0.197 0.000 0.208 90 E C 0.116 176.658 176.600 -0.096 0.000 0.997 90 E CA 0.032 56.359 56.400 -0.123 0.000 1.020 90 E CB 0.619 30.231 29.700 -0.147 0.000 1.052 90 E HN 0.669 nan 8.360 nan 0.000 0.465 91 E N 0.643 120.783 120.200 -0.100 0.000 2.431 91 E HA 0.236 4.705 4.350 0.197 0.000 0.287 91 E C -2.961 173.581 176.600 -0.097 0.000 1.032 91 E CA -1.572 54.779 56.400 -0.081 0.000 0.839 91 E CB 1.479 31.138 29.700 -0.069 0.000 1.218 91 E HN -0.213 nan 8.360 nan 0.000 0.424 92 P HA 0.193 nan 4.420 nan 0.000 0.269 92 P C -2.487 174.759 177.300 -0.091 0.000 1.209 92 P CA -0.798 62.254 63.100 -0.080 0.000 0.776 92 P CB 0.068 31.736 31.700 -0.053 0.000 0.876 93 P HA 0.256 nan 4.420 nan 0.000 0.276 93 P C -0.710 176.611 177.300 0.036 0.000 1.244 93 P CA -0.197 62.853 63.100 -0.084 0.000 0.801 93 P CB 1.186 32.736 31.700 -0.250 0.000 1.006 94 R N 0.513 121.099 120.500 0.144 0.000 2.561 94 R HA 0.755 5.213 4.340 0.197 0.000 0.297 94 R C 0.044 176.446 176.300 0.169 0.000 0.969 94 R CA -0.466 55.708 56.100 0.123 0.000 0.879 94 R CB 2.126 32.454 30.300 0.047 0.000 1.178 94 R HN 0.879 nan 8.270 nan 0.000 0.445 95 G N 2.759 111.622 108.800 0.105 0.000 2.327 95 G HA2 0.180 4.259 3.960 0.197 0.000 0.291 95 G HA3 0.180 4.259 3.960 0.197 0.000 0.291 95 G C -3.149 171.652 174.900 -0.165 0.000 1.290 95 G CA -0.917 44.060 45.100 -0.204 0.000 0.857 95 G HN 0.305 nan 8.290 nan 0.000 0.520 96 P HA 0.231 nan 4.420 nan 0.000 0.274 96 P C -0.720 176.363 177.300 -0.361 0.000 1.237 96 P CA -0.429 62.273 63.100 -0.664 0.000 0.793 96 P CB 0.619 32.084 31.700 -0.391 0.000 0.977 97 D N 1.607 121.793 120.400 -0.356 0.000 2.382 97 D HA -0.039 4.720 4.640 0.197 0.000 0.259 97 D C 0.723 176.947 176.300 -0.127 0.000 1.224 97 D CA -0.089 53.797 54.000 -0.190 0.000 0.894 97 D CB 0.677 41.380 40.800 -0.161 0.000 1.127 97 D HN 0.104 nan 8.370 nan 0.000 0.487 98 R N 3.455 123.903 120.500 -0.086 0.000 2.113 98 R HA -0.217 4.241 4.340 0.197 0.000 0.244 98 R C 2.004 178.279 176.300 -0.041 0.000 1.142 98 R CA 1.647 57.715 56.100 -0.053 0.000 0.953 98 R CB -0.572 29.706 30.300 -0.036 0.000 0.860 98 R HN 0.647 nan 8.270 nan 0.000 0.438 99 E N 0.107 120.283 120.200 -0.041 0.000 2.023 99 E HA -0.217 4.251 4.350 0.197 0.000 0.196 99 E C 1.965 178.546 176.600 -0.030 0.000 1.003 99 E CA 1.463 57.846 56.400 -0.029 0.000 0.809 99 E CB -0.177 29.506 29.700 -0.028 0.000 0.755 99 E HN 0.380 nan 8.360 nan 0.000 0.449 100 A N 1.546 124.338 122.820 -0.045 0.000 1.940 100 A HA -0.196 4.242 4.320 0.197 0.000 0.219 100 A C 2.258 179.825 177.584 -0.029 0.000 1.176 100 A CA 1.279 53.292 52.037 -0.041 0.000 0.631 100 A CB -0.778 18.185 19.000 -0.062 0.000 0.814 100 A HN 0.461 nan 8.150 nan 0.000 0.446 101 L N -0.289 120.913 121.223 -0.036 0.000 1.989 101 L HA -0.231 4.227 4.340 0.197 0.000 0.211 101 L C 2.568 179.435 176.870 -0.004 0.000 1.071 101 L CA 2.410 57.242 54.840 -0.014 0.000 0.749 101 L CB -0.610 41.438 42.059 -0.019 0.000 0.890 101 L HN 0.562 nan 8.230 nan 0.000 0.431 102 E N -0.647 119.551 120.200 -0.003 0.000 2.051 102 E HA -0.212 4.256 4.350 0.197 0.000 0.192 102 E C 2.110 178.718 176.600 0.013 0.000 0.991 102 E CA 1.453 57.860 56.400 0.012 0.000 0.799 102 E CB -0.243 29.465 29.700 0.013 0.000 0.748 102 E HN 0.391 nan 8.360 nan 0.000 0.449 103 V N 1.792 121.707 119.914 0.002 0.000 2.453 103 V HA -0.316 3.922 4.120 0.197 0.000 0.252 103 V C 2.371 178.461 176.094 -0.006 0.000 1.068 103 V CA 1.860 64.159 62.300 -0.001 0.000 1.070 103 V CB -0.892 30.926 31.823 -0.008 0.000 0.664 103 V HN 0.313 nan 8.190 nan 0.000 0.461 104 A N -0.029 122.785 122.820 -0.010 0.000 1.845 104 A HA -0.150 4.288 4.320 0.197 0.000 0.215 104 A C 2.223 179.783 177.584 -0.039 0.000 1.195 104 A CA 1.874 53.899 52.037 -0.021 0.000 0.616 104 A CB -0.617 18.376 19.000 -0.011 0.000 0.832 104 A HN 0.461 nan 8.150 nan 0.000 0.443 105 L N -0.628 120.574 121.223 -0.035 0.000 1.997 105 L HA -0.343 4.115 4.340 0.197 0.000 0.216 105 L C 2.975 179.831 176.870 -0.024 0.000 1.074 105 L CA 2.257 57.058 54.840 -0.065 0.000 0.763 105 L CB -0.632 41.432 42.059 0.008 0.000 0.890 105 L HN 0.687 nan 8.230 nan 0.000 0.434 106 Q N 0.557 120.392 119.800 0.058 0.000 2.045 106 Q HA -0.259 4.199 4.340 0.197 0.000 0.206 106 Q C 2.275 178.309 176.000 0.057 0.000 0.991 106 Q CA 2.215 58.080 55.803 0.103 0.000 0.851 106 Q CB -0.235 28.539 28.738 0.061 0.000 0.911 106 Q HN 0.512 nan 8.270 nan 0.000 0.418 107 I N 0.904 121.473 120.570 -0.002 0.000 2.248 107 I HA -0.330 3.958 4.170 0.197 0.000 0.248 107 I C 2.512 178.604 176.117 -0.041 0.000 1.107 107 I CA 0.932 62.212 61.300 -0.033 0.000 1.373 107 I CB -0.645 37.326 38.000 -0.049 0.000 1.055 107 I HN 0.391 nan 8.210 nan 0.000 0.418 108 A N 0.710 123.481 122.820 -0.082 0.000 1.841 108 A HA -0.270 4.168 4.320 0.197 0.000 0.216 108 A C 2.212 179.735 177.584 -0.101 0.000 1.199 108 A CA 1.768 53.718 52.037 -0.145 0.000 0.621 108 A CB -1.363 17.467 19.000 -0.284 0.000 0.835 108 A HN 0.402 nan 8.150 nan 0.000 0.445 109 Y N -1.173 119.135 120.300 0.013 0.000 2.114 109 Y HA -0.223 4.445 4.550 0.197 0.000 0.282 109 Y C 2.284 178.206 175.900 0.036 0.000 1.165 109 Y CA 1.110 59.224 58.100 0.023 0.000 1.148 109 Y CB -0.314 38.157 38.460 0.017 0.000 0.972 109 Y HN 0.321 nan 8.280 nan 0.000 0.504 110 L N -0.135 121.197 121.223 0.181 0.000 2.351 110 L HA -0.185 4.273 4.340 0.197 0.000 0.220 110 L C 1.202 178.144 176.870 0.120 0.000 1.127 110 L CA 1.694 56.600 54.840 0.109 0.000 0.786 110 L CB -0.473 41.600 42.059 0.024 0.000 0.914 110 L HN 0.273 nan 8.230 nan 0.000 0.443 111 L N -0.832 120.459 121.223 0.113 0.000 2.959 111 L HA 0.221 4.679 4.340 0.197 0.000 0.259 111 L C 0.479 177.449 176.870 0.167 0.000 1.185 111 L CA -0.144 54.797 54.840 0.169 0.000 0.998 111 L CB -0.014 42.085 42.059 0.067 0.000 1.337 111 L HN 0.229 nan 8.230 nan 0.000 0.555 112 N N -0.099 118.696 118.700 0.159 0.000 2.776 112 N HA -0.160 4.698 4.740 0.197 0.000 0.250 112 N C 0.208 175.770 175.510 0.086 0.000 1.112 112 N CA 0.959 54.089 53.050 0.134 0.000 0.733 112 N CB -1.039 37.514 38.487 0.110 0.000 1.097 112 N HN 0.392 nan 8.380 nan 0.000 0.558 113 A N 0.420 123.262 122.820 0.037 0.000 2.302 113 A HA 0.515 4.953 4.320 0.197 0.000 0.285 113 A C 0.549 178.084 177.584 -0.082 0.000 1.105 113 A CA -0.248 51.769 52.037 -0.033 0.000 0.816 113 A CB 0.724 19.675 19.000 -0.081 0.000 1.067 113 A HN 0.090 nan 8.150 nan 0.000 0.489 114 K N 2.066 122.427 120.400 -0.065 0.000 2.354 114 K HA 0.359 4.797 4.320 0.197 0.000 0.257 114 K C -2.944 173.589 176.600 -0.112 0.000 1.062 114 K CA -1.956 54.300 56.287 -0.052 0.000 0.971 114 K CB 0.506 33.013 32.500 0.012 0.000 1.305 114 K HN 0.301 nan 8.250 nan 0.000 0.449 115 P HA -0.097 nan 4.420 nan 0.000 0.266 115 P C 0.224 177.485 177.300 -0.065 0.000 1.186 115 P CA -0.013 62.973 63.100 -0.190 0.000 0.767 115 P CB 0.498 32.032 31.700 -0.276 0.000 0.820 116 V N 3.032 122.920 119.914 -0.044 0.000 3.185 116 V HA -0.037 4.201 4.120 0.197 0.000 0.305 116 V C 1.412 177.516 176.094 0.015 0.000 1.090 116 V CA 0.624 62.922 62.300 -0.003 0.000 1.107 116 V CB 0.456 32.284 31.823 0.007 0.000 1.061 116 V HN 0.604 nan 8.190 nan 0.000 0.480 117 D N 0.938 121.359 120.400 0.036 0.000 2.162 117 D HA 0.035 4.793 4.640 0.197 0.000 0.205 117 D C 0.688 177.010 176.300 0.037 0.000 0.964 117 D CA 0.993 55.017 54.000 0.041 0.000 0.847 117 D CB 0.537 41.366 40.800 0.048 0.000 0.988 117 D HN 0.696 nan 8.370 nan 0.000 0.480 118 E N 0.372 120.606 120.200 0.056 0.000 2.275 118 E HA 0.347 4.816 4.350 0.197 0.000 0.270 118 E C -1.421 175.183 176.600 0.006 0.000 0.882 118 E CA -0.489 55.917 56.400 0.010 0.000 0.758 118 E CB 2.393 32.107 29.700 0.024 0.000 1.195 118 E HN -0.306 nan 8.360 nan 0.000 0.419 119 V N 4.357 124.216 119.914 -0.093 0.000 2.465 119 V HA 0.320 4.558 4.120 0.197 0.000 0.279 119 V C -0.886 175.085 176.094 -0.205 0.000 1.045 119 V CA -0.345 61.921 62.300 -0.057 0.000 0.938 119 V CB 0.433 32.258 31.823 0.003 0.000 0.986 119 V HN 0.566 nan 8.190 nan 0.000 0.467 120 Y N 3.078 123.370 120.300 -0.013 0.000 2.376 120 Y HA 0.553 5.221 4.550 0.197 0.000 0.340 120 Y C -0.375 175.480 175.900 -0.076 0.000 0.965 120 Y CA -0.735 57.369 58.100 0.007 0.000 1.078 120 Y CB 1.568 40.016 38.460 -0.021 0.000 1.193 120 Y HN 0.526 nan 8.280 nan 0.000 0.452 121 Y N 3.563 123.928 120.300 0.109 0.000 2.310 121 Y HA 0.416 5.085 4.550 0.198 0.000 0.326 121 Y C 0.001 175.886 175.900 -0.025 0.000 1.151 121 Y CA -0.463 57.672 58.100 0.059 0.000 1.195 121 Y CB 0.883 39.381 38.460 0.063 0.000 1.210 121 Y HN 0.425 nan 8.280 nan 0.000 0.483 122 M N 2.858 122.446 119.600 -0.019 0.000 2.762 122 M HA 0.504 5.103 4.480 0.197 0.000 0.306 122 M C -0.739 175.479 176.300 -0.135 0.000 1.223 122 M CA -0.876 54.369 55.300 -0.092 0.000 0.896 122 M CB 1.787 34.341 32.600 -0.077 0.000 1.684 122 M HN 0.503 nan 8.290 nan 0.000 0.491 123 R N 0.952 121.269 120.500 -0.305 0.000 2.320 123 R HA 0.368 4.826 4.340 0.197 0.000 0.319 123 R C -0.536 175.701 176.300 -0.104 0.000 0.969 123 R CA -0.537 55.324 56.100 -0.399 0.000 0.857 123 R CB 1.733 31.313 30.300 -1.200 0.000 1.160 123 R HN 0.507 nan 8.270 nan 0.000 0.491 124 K N 4.259 124.694 120.400 0.058 0.000 2.258 124 K HA 0.212 4.651 4.320 0.197 0.000 0.284 124 K C 0.074 176.784 176.600 0.184 0.000 1.051 124 K CA -0.553 55.797 56.287 0.104 0.000 0.923 124 K CB 0.688 33.243 32.500 0.092 0.000 1.046 124 K HN 0.364 nan 8.250 nan 0.000 0.474 125 I N 4.379 125.057 120.570 0.179 0.000 2.634 125 I HA 0.079 4.367 4.170 0.197 0.000 0.284 125 I C -0.012 176.183 176.117 0.130 0.000 1.124 125 I CA -0.264 61.159 61.300 0.204 0.000 1.417 125 I CB 1.104 39.202 38.000 0.162 0.000 1.396 125 I HN 0.324 nan 8.210 nan 0.000 0.571 126 V N 7.335 127.311 119.914 0.104 0.000 2.569 126 V HA 0.301 4.539 4.120 0.197 0.000 0.301 126 V C 0.941 177.038 176.094 0.005 0.000 1.044 126 V CA -0.403 61.918 62.300 0.035 0.000 0.874 126 V CB 1.980 33.799 31.823 -0.007 0.000 1.002 126 V HN 0.575 nan 8.190 nan 0.000 0.424 127 I N 1.578 122.161 120.570 0.021 0.000 2.233 127 I HA -0.098 4.190 4.170 0.197 0.000 0.243 127 I C 1.955 178.069 176.117 -0.005 0.000 1.093 127 I CA 1.181 62.505 61.300 0.041 0.000 1.380 127 I CB -0.175 37.870 38.000 0.076 0.000 1.067 127 I HN 0.635 nan 8.210 nan 0.000 0.413 128 D N 1.291 121.676 120.400 -0.024 0.000 2.600 128 D HA -0.277 4.481 4.640 0.197 0.000 0.194 128 D C 1.718 177.802 176.300 -0.360 0.000 1.040 128 D CA 2.733 56.706 54.000 -0.044 0.000 0.871 128 D CB -0.486 40.296 40.800 -0.031 0.000 0.973 128 D HN 0.585 nan 8.370 nan 0.000 0.470 129 G N -2.395 106.008 108.800 -0.661 0.000 2.205 129 G HA2 -0.236 3.842 3.960 0.197 0.000 0.180 129 G HA3 -0.236 3.842 3.960 0.197 0.000 0.180 129 G C 1.032 175.309 174.900 -1.039 0.000 1.004 129 G CA 0.773 45.158 45.100 -1.191 0.000 0.670 129 G HN 0.449 nan 8.290 nan 0.000 0.496 130 S N -0.219 114.881 115.700 -1.000 0.000 2.507 130 S HA 0.119 4.708 4.470 0.197 0.000 0.235 130 S C 0.650 174.971 174.600 -0.465 0.000 0.988 130 S CA 0.603 58.221 58.200 -0.970 0.000 0.944 130 S CB 0.170 63.126 63.200 -0.407 0.000 0.762 130 S HN 0.462 nan 8.310 nan 0.000 0.526 131 N N 1.202 119.680 118.700 -0.370 0.000 2.524 131 N HA 0.296 5.154 4.740 0.197 0.000 0.261 131 N C 0.451 175.771 175.510 -0.317 0.000 0.998 131 N CA -0.149 52.738 53.050 -0.272 0.000 0.915 131 N CB 2.129 40.493 38.487 -0.205 0.000 1.187 131 N HN -0.029 nan 8.380 nan 0.000 0.507 132 V N 1.350 121.045 119.914 -0.364 0.000 2.546 132 V HA -0.208 4.031 4.120 0.197 0.000 0.254 132 V C 1.802 177.710 176.094 -0.309 0.000 1.076 132 V CA 1.726 63.787 62.300 -0.399 0.000 1.087 132 V CB -0.244 31.287 31.823 -0.487 0.000 0.674 132 V HN 0.563 nan 8.190 nan 0.000 0.470 133 S N -0.949 114.472 115.700 -0.465 0.000 2.558 133 S HA 0.316 4.904 4.470 0.197 0.000 0.217 133 S C 1.669 175.803 174.600 -0.776 0.000 0.975 133 S CA 0.798 58.587 58.200 -0.686 0.000 0.912 133 S CB 0.611 63.154 63.200 -1.096 0.000 0.776 133 S HN 0.897 nan 8.310 nan 0.000 0.526 134 G N 1.260 109.763 108.800 -0.496 0.000 2.213 134 G HA2 -0.223 3.855 3.960 0.197 0.000 0.236 134 G HA3 -0.223 3.855 3.960 0.197 0.000 0.236 134 G C -0.052 174.801 174.900 -0.079 0.000 0.991 134 G CA 0.223 45.199 45.100 -0.207 0.000 0.629 134 G HN 0.617 nan 8.290 nan 0.000 0.517 135 F N -1.339 118.598 119.950 -0.021 0.000 2.685 135 F HA 0.825 5.474 4.527 0.202 0.000 0.315 135 F C -0.589 175.193 175.800 -0.030 0.000 1.126 135 F CA -1.515 56.476 58.000 -0.014 0.000 0.950 135 F CB 1.279 40.278 39.000 -0.000 0.000 1.360 135 F HN 0.163 nan 8.300 nan 0.000 0.469 136 Q N 2.031 122.000 119.800 0.282 0.000 2.333 136 Q HA 0.462 4.920 4.340 0.197 0.000 0.265 136 Q C -1.102 175.044 176.000 0.243 0.000 0.989 136 Q CA -0.745 55.178 55.803 0.200 0.000 0.842 136 Q CB 1.423 30.237 28.738 0.126 0.000 1.262 136 Q HN 0.840 nan 8.270 nan 0.000 0.451 137 R N 2.437 123.083 120.500 0.243 0.000 2.370 137 R HA 0.250 4.708 4.340 0.197 0.000 0.309 137 R C -0.604 175.948 176.300 0.419 0.000 1.059 137 R CA 0.578 56.818 56.100 0.233 0.000 0.981 137 R CB 0.879 31.143 30.300 -0.059 0.000 0.972 137 R HN 0.587 nan 8.270 nan 0.000 0.437 138 T N 0.744 115.497 114.554 0.331 0.000 2.901 138 T HA 0.795 5.263 4.350 0.197 0.000 0.293 138 T C -1.127 173.384 174.700 -0.314 0.000 1.084 138 T CA -0.806 61.389 62.100 0.157 0.000 1.008 138 T CB 2.139 71.051 68.868 0.073 0.000 1.170 138 T HN 0.650 nan 8.240 nan 0.000 0.509 139 A N 1.200 123.751 122.820 -0.448 0.000 2.594 139 A HA 0.738 5.176 4.320 0.197 0.000 0.296 139 A C -1.426 175.996 177.584 -0.271 0.000 1.061 139 A CA -0.694 50.972 52.037 -0.619 0.000 0.689 139 A CB 0.981 19.118 19.000 -1.437 0.000 1.280 139 A HN 0.798 nan 8.150 nan 0.000 0.406 140 I N 2.342 122.804 120.570 -0.180 0.000 2.428 140 I HA 0.300 4.588 4.170 0.197 0.000 0.289 140 I C 0.354 176.419 176.117 -0.085 0.000 1.019 140 I CA -0.028 61.214 61.300 -0.097 0.000 1.351 140 I CB 1.326 39.289 38.000 -0.062 0.000 1.412 140 I HN 0.687 nan 8.210 nan 0.000 0.513 141 I N 4.523 125.053 120.570 -0.068 0.000 4.338 141 I HA 0.276 4.565 4.170 0.197 0.000 0.315 141 I C 0.571 176.643 176.117 -0.075 0.000 1.262 141 I CA 0.228 61.492 61.300 -0.060 0.000 1.298 141 I CB 0.786 38.757 38.000 -0.049 0.000 1.257 141 I HN 0.585 nan 8.210 nan 0.000 0.444 142 A N 0.591 123.363 122.820 -0.079 0.000 2.566 142 A HA 0.795 5.233 4.320 0.197 0.000 0.292 142 A C -0.538 177.008 177.584 -0.064 0.000 1.112 142 A CA -0.265 51.714 52.037 -0.096 0.000 0.707 142 A CB 1.466 20.380 19.000 -0.143 0.000 1.302 142 A HN 0.114 nan 8.150 nan 0.000 0.409 143 T N -1.931 112.590 114.554 -0.054 0.000 2.816 143 T HA 0.612 5.080 4.350 0.197 0.000 0.299 143 T C -1.152 173.537 174.700 -0.019 0.000 1.230 143 T CA -0.263 61.819 62.100 -0.031 0.000 1.007 143 T CB 1.311 70.166 68.868 -0.022 0.000 1.289 143 T HN 0.804 nan 8.240 nan 0.000 0.508 144 D N 0.327 120.723 120.400 -0.007 0.000 2.740 144 D HA -0.117 4.641 4.640 0.197 0.000 0.231 144 D C 0.703 177.011 176.300 0.013 0.000 1.194 144 D CA 1.456 55.459 54.000 0.005 0.000 0.673 144 D CB -1.231 39.574 40.800 0.007 0.000 0.995 144 D HN 0.985 nan 8.370 nan 0.000 0.411 145 G N 0.144 108.954 108.800 0.016 0.000 2.532 145 G HA2 0.687 4.765 3.960 0.197 0.000 0.291 145 G HA3 0.687 4.765 3.960 0.197 0.000 0.291 145 G C 0.041 174.968 174.900 0.046 0.000 1.349 145 G CA -0.368 44.753 45.100 0.035 0.000 1.038 145 G HN 0.347 nan 8.290 nan 0.000 0.518 146 K N -2.415 118.026 120.400 0.068 0.000 2.589 146 K HA 0.501 4.939 4.320 0.197 0.000 0.265 146 K C -2.040 174.600 176.600 0.067 0.000 0.935 146 K CA -0.851 55.471 56.287 0.059 0.000 0.850 146 K CB 1.735 34.256 32.500 0.036 0.000 1.372 146 K HN 0.357 nan 8.250 nan 0.000 0.420 147 V N 1.939 121.881 119.914 0.048 0.000 2.409 147 V HA 0.305 4.544 4.120 0.197 0.000 0.291 147 V C -0.403 175.636 176.094 -0.091 0.000 1.020 147 V CA -0.592 61.690 62.300 -0.030 0.000 0.848 147 V CB 1.356 33.246 31.823 0.112 0.000 0.990 147 V HN 0.819 nan 8.190 nan 0.000 0.430 148 E N 2.179 122.263 120.200 -0.194 0.000 2.373 148 E HA 0.597 5.066 4.350 0.197 0.000 0.263 148 E C -0.098 176.440 176.600 -0.103 0.000 1.073 148 E CA 0.455 56.779 56.400 -0.126 0.000 0.894 148 E CB 1.301 30.912 29.700 -0.150 0.000 1.008 148 E HN 0.771 nan 8.360 nan 0.000 0.420 149 T N 2.168 116.708 114.554 -0.023 0.000 2.840 149 T HA 0.297 4.766 4.350 0.197 0.000 0.317 149 T C -2.229 172.492 174.700 0.035 0.000 1.401 149 T CA -1.380 60.744 62.100 0.040 0.000 1.028 149 T CB 1.094 70.046 68.868 0.140 0.000 1.317 149 T HN 0.193 nan 8.240 nan 0.000 0.495 150 P HA -0.010 nan 4.420 nan 0.000 0.218 150 P C 0.836 177.900 177.300 -0.392 0.000 1.146 150 P CA 1.105 64.001 63.100 -0.339 0.000 0.813 150 P CB 0.134 31.399 31.700 -0.726 0.000 0.778 151 W N -0.731 120.526 121.300 -0.072 0.000 3.278 151 W HA 0.435 5.214 4.660 0.197 0.000 0.308 151 W C 0.658 177.231 176.519 0.090 0.000 1.253 151 W CA 0.617 57.951 57.345 -0.018 0.000 1.759 151 W CB 0.328 29.685 29.460 -0.173 0.000 1.093 151 W HN -0.069 nan 8.180 nan 0.000 0.648 152 G N 0.021 108.952 108.800 0.219 0.000 2.362 152 G HA2 0.216 4.294 3.960 0.197 0.000 0.656 152 G HA3 0.216 4.294 3.960 0.197 0.000 0.656 152 G C -1.106 173.870 174.900 0.127 0.000 1.376 152 G CA -0.739 44.459 45.100 0.163 0.000 0.971 152 G HN 0.168 nan 8.290 nan 0.000 0.636 153 A N -0.530 122.338 122.820 0.079 0.000 2.425 153 A HA 0.696 5.134 4.320 0.197 0.000 0.249 153 A C 0.420 178.046 177.584 0.069 0.000 1.084 153 A CA 0.034 52.102 52.037 0.051 0.000 0.781 153 A CB 0.992 20.008 19.000 0.026 0.000 1.019 153 A HN 1.804 nan 8.150 nan 0.000 0.490 154 V N 2.143 122.090 119.914 0.055 0.000 2.513 154 V HA 0.619 4.858 4.120 0.197 0.000 0.299 154 V C 1.002 177.123 176.094 0.046 0.000 1.035 154 V CA 0.027 62.361 62.300 0.056 0.000 0.889 154 V CB 1.786 33.638 31.823 0.048 0.000 0.988 154 V HN 1.189 nan 8.190 nan 0.000 0.440 155 G N 3.309 112.134 108.800 0.041 0.000 2.477 155 G HA2 0.602 4.680 3.960 0.197 0.000 0.304 155 G HA3 0.602 4.680 3.960 0.197 0.000 0.304 155 G C -1.035 173.884 174.900 0.031 0.000 1.175 155 G CA -0.344 44.777 45.100 0.035 0.000 0.907 155 G HN 0.492 nan 8.290 nan 0.000 0.509 156 I N 1.750 122.336 120.570 0.027 0.000 2.595 156 I HA 0.307 4.595 4.170 0.197 0.000 0.275 156 I C -1.752 174.367 176.117 0.004 0.000 1.092 156 I CA -2.168 59.142 61.300 0.016 0.000 1.145 156 I CB 2.231 40.246 38.000 0.025 0.000 1.276 156 I HN 0.230 nan 8.210 nan 0.000 0.497 157 P HA -0.061 nan 4.420 nan 0.000 0.216 157 P C -0.140 177.151 177.300 -0.015 0.000 1.150 157 P CA 1.447 64.543 63.100 -0.006 0.000 0.843 157 P CB 0.295 31.992 31.700 -0.005 0.000 0.787 158 T N -0.693 113.848 114.554 -0.022 0.000 2.956 158 T HA 0.540 5.008 4.350 0.197 0.000 0.312 158 T C -0.678 173.997 174.700 -0.041 0.000 1.151 158 T CA -0.446 61.635 62.100 -0.032 0.000 1.024 158 T CB 1.522 70.372 68.868 -0.031 0.000 1.140 158 T HN -0.248 nan 8.240 nan 0.000 0.473 159 I N 1.879 122.421 120.570 -0.047 0.000 2.447 159 I HA 0.536 4.824 4.170 0.197 0.000 0.287 159 I C -0.644 175.444 176.117 -0.049 0.000 1.023 159 I CA -0.636 60.633 61.300 -0.052 0.000 1.083 159 I CB 1.465 39.428 38.000 -0.061 0.000 1.245 159 I HN 0.576 nan 8.210 nan 0.000 0.434 160 C N 5.796 125.073 119.300 -0.038 0.000 2.634 160 C HA 0.619 5.197 4.460 0.197 0.000 0.313 160 C C -0.503 174.497 174.990 0.016 0.000 1.198 160 C CA -0.667 58.337 59.018 -0.024 0.000 1.605 160 C CB 1.979 29.709 27.740 -0.017 0.000 2.196 160 C HN 0.571 nan 8.230 nan 0.000 0.486 161 L N 3.922 125.170 121.223 0.041 0.000 2.316 161 L HA 0.606 5.064 4.340 0.197 0.000 0.280 161 L C -0.044 176.960 176.870 0.223 0.000 1.006 161 L CA 0.376 55.286 54.840 0.116 0.000 0.836 161 L CB 0.409 42.548 42.059 0.134 0.000 1.221 161 L HN 0.897 nan 8.230 nan 0.000 0.418 162 E N 2.731 123.059 120.200 0.214 0.000 2.410 162 E HA 0.510 4.978 4.350 0.197 0.000 0.269 162 E C -1.282 175.458 176.600 0.234 0.000 0.937 162 E CA -0.990 55.576 56.400 0.277 0.000 0.793 162 E CB 1.476 31.299 29.700 0.205 0.000 1.314 162 E HN 0.528 nan 8.360 nan 0.000 0.447 163 E N 0.636 120.992 120.200 0.260 0.000 2.331 163 E HA 0.148 4.617 4.350 0.197 0.000 0.272 163 E C -1.020 175.643 176.600 0.103 0.000 1.036 163 E CA -0.453 56.068 56.400 0.200 0.000 0.864 163 E CB 1.013 30.877 29.700 0.274 0.000 1.035 163 E HN 0.352 nan 8.360 nan 0.000 0.408 164 D N 0.781 121.206 120.400 0.043 0.000 2.283 164 D HA 0.362 5.120 4.640 0.197 0.000 0.248 164 D C -0.770 175.517 176.300 -0.021 0.000 1.072 164 D CA -0.321 53.674 54.000 -0.009 0.000 0.929 164 D CB 1.114 41.897 40.800 -0.029 0.000 1.182 164 D HN 0.445 nan 8.370 nan 0.000 0.433 165 A N 1.584 124.381 122.820 -0.039 0.000 2.272 165 A HA 0.665 5.103 4.320 0.197 0.000 0.275 165 A C 0.145 177.702 177.584 -0.044 0.000 1.096 165 A CA -0.095 51.910 52.037 -0.053 0.000 0.822 165 A CB 0.175 19.134 19.000 -0.068 0.000 1.088 165 A HN 0.697 nan 8.150 nan 0.000 0.495 166 A N 0.074 122.861 122.820 -0.056 0.000 2.386 166 A HA 0.485 4.923 4.320 0.197 0.000 0.246 166 A C 0.581 178.239 177.584 0.122 0.000 1.089 166 A CA -0.123 51.923 52.037 0.015 0.000 0.790 166 A CB 0.016 19.033 19.000 0.028 0.000 1.042 166 A HN 0.795 nan 8.150 nan 0.000 0.497 167 R N -0.301 120.274 120.500 0.125 0.000 2.490 167 R HA 0.427 4.885 4.340 0.197 0.000 0.278 167 R C -0.308 176.097 176.300 0.175 0.000 1.069 167 R CA -0.185 55.980 56.100 0.109 0.000 1.080 167 R CB 0.939 31.260 30.300 0.034 0.000 1.030 167 R HN 0.687 nan 8.270 nan 0.000 0.491 168 I N 3.600 124.210 120.570 0.066 0.000 2.342 168 I HA 0.050 4.338 4.170 0.197 0.000 0.291 168 I C 0.401 176.424 176.117 -0.156 0.000 1.010 168 I CA -0.236 60.968 61.300 -0.160 0.000 1.308 168 I CB 0.773 38.648 38.000 -0.208 0.000 1.400 168 I HN 0.659 nan 8.210 nan 0.000 0.488 169 I N 5.656 126.097 120.570 -0.214 0.000 3.339 169 I HA 0.261 4.549 4.170 0.197 0.000 0.285 169 I C 0.590 176.612 176.117 -0.157 0.000 1.201 169 I CA 0.792 62.004 61.300 -0.147 0.000 1.434 169 I CB -0.648 37.278 38.000 -0.124 0.000 1.152 169 I HN 0.635 nan 8.210 nan 0.000 0.443 170 E N 1.033 121.103 120.200 -0.217 0.000 2.431 170 E HA 0.247 4.715 4.350 0.197 0.000 0.287 170 E C -1.041 175.435 176.600 -0.207 0.000 1.032 170 E CA -0.559 55.737 56.400 -0.174 0.000 0.839 170 E CB 1.246 30.869 29.700 -0.128 0.000 1.218 170 E HN 0.073 nan 8.360 nan 0.000 0.424 171 R N 3.812 124.219 120.500 -0.155 0.000 2.860 171 R HA 0.353 4.811 4.340 0.197 0.000 0.282 171 R C -0.217 176.031 176.300 -0.087 0.000 1.408 171 R CA -0.689 55.332 56.100 -0.131 0.000 1.636 171 R CB 0.691 30.930 30.300 -0.102 0.000 1.187 171 R HN 0.209 nan 8.270 nan 0.000 0.611 172 K N 0.964 121.311 120.400 -0.088 0.000 2.230 172 K HA 0.001 4.440 4.320 0.197 0.000 0.253 172 K C 0.210 176.776 176.600 -0.058 0.000 1.008 172 K CA -0.205 56.041 56.287 -0.068 0.000 0.910 172 K CB 0.533 32.991 32.500 -0.070 0.000 0.994 172 K HN 0.238 nan 8.250 nan 0.000 0.495 173 D N 1.719 122.090 120.400 -0.048 0.000 2.390 173 D HA -0.002 4.756 4.640 0.197 0.000 0.249 173 D C -0.269 175.999 176.300 -0.054 0.000 1.144 173 D CA 0.538 54.514 54.000 -0.041 0.000 0.880 173 D CB 0.479 41.260 40.800 -0.033 0.000 1.182 173 D HN 0.445 nan 8.370 nan 0.000 0.451 174 K N 1.808 122.171 120.400 -0.060 0.000 3.192 174 K HA -0.240 4.198 4.320 0.197 0.000 0.278 174 K C -0.455 176.079 176.600 -0.110 0.000 1.164 174 K CA 0.810 57.046 56.287 -0.086 0.000 0.816 174 K CB -1.029 31.426 32.500 -0.076 0.000 1.256 174 K HN 0.737 nan 8.250 nan 0.000 0.497 175 E N -0.078 120.058 120.200 -0.106 0.000 3.683 175 E HA 0.113 4.581 4.350 0.197 0.000 0.388 175 E C -1.560 174.984 176.600 -0.094 0.000 1.016 175 E CA -0.489 55.840 56.400 -0.119 0.000 0.784 175 E CB 1.010 30.646 29.700 -0.106 0.000 1.309 175 E HN 0.018 nan 8.360 nan 0.000 0.485 176 V N 5.689 125.572 119.914 -0.052 0.000 2.435 176 V HA 0.511 4.749 4.120 0.197 0.000 0.290 176 V C 0.376 176.361 176.094 -0.181 0.000 1.030 176 V CA -0.600 61.641 62.300 -0.099 0.000 0.881 176 V CB 1.474 33.321 31.823 0.040 0.000 0.983 176 V HN 0.609 nan 8.190 nan 0.000 0.445 177 I N 5.005 125.387 120.570 -0.313 0.000 2.336 177 I HA 0.453 4.741 4.170 0.197 0.000 0.292 177 I C -0.985 174.912 176.117 -0.366 0.000 0.991 177 I CA -0.356 60.779 61.300 -0.276 0.000 1.227 177 I CB 1.085 38.968 38.000 -0.196 0.000 1.366 177 I HN 0.539 nan 8.210 nan 0.000 0.466 178 Y N 4.866 125.069 120.300 -0.161 0.000 2.485 178 Y HA 0.519 5.184 4.550 0.191 0.000 0.345 178 Y C 0.077 175.981 175.900 0.006 0.000 0.998 178 Y CA -0.828 57.250 58.100 -0.037 0.000 1.059 178 Y CB 1.898 40.404 38.460 0.078 0.000 1.234 178 Y HN 0.442 nan 8.280 nan 0.000 0.461 179 R N 2.724 123.329 120.500 0.175 0.000 2.346 179 R HA 0.418 4.876 4.340 0.197 0.000 0.311 179 R C 0.007 176.347 176.300 0.067 0.000 0.983 179 R CA -0.301 55.838 56.100 0.065 0.000 0.880 179 R CB 0.678 30.979 30.300 0.000 0.000 1.100 179 R HN 0.925 nan 8.270 nan 0.000 0.453 180 L N 3.040 124.279 121.223 0.026 0.000 2.291 180 L HA -0.117 4.342 4.340 0.197 0.000 0.214 180 L C 1.667 178.508 176.870 -0.048 0.000 1.120 180 L CA 0.669 55.510 54.840 0.002 0.000 0.799 180 L CB -0.425 41.654 42.059 0.033 0.000 0.925 180 L HN 0.771 nan 8.230 nan 0.000 0.446 181 D N 0.752 121.120 120.400 -0.052 0.000 2.133 181 D HA -0.316 4.443 4.640 0.197 0.000 0.195 181 D C 2.090 178.329 176.300 -0.101 0.000 0.997 181 D CA 1.533 55.490 54.000 -0.071 0.000 0.840 181 D CB -0.361 40.407 40.800 -0.054 0.000 0.947 181 D HN 0.214 nan 8.370 nan 0.000 0.452 182 R N -0.720 119.733 120.500 -0.079 0.000 2.193 182 R HA 0.060 4.518 4.340 0.197 0.000 0.213 182 R C 0.475 176.692 176.300 -0.138 0.000 1.055 182 R CA -0.322 55.725 56.100 -0.088 0.000 0.995 182 R CB -0.311 29.961 30.300 -0.047 0.000 0.893 182 R HN 0.198 nan 8.270 nan 0.000 0.459 183 L N 0.695 121.823 121.223 -0.159 0.000 2.562 183 L HA 0.146 4.604 4.340 0.197 0.000 0.271 183 L C 0.758 177.290 176.870 -0.565 0.000 1.167 183 L CA 1.559 56.273 54.840 -0.210 0.000 0.917 183 L CB 0.968 42.965 42.059 -0.103 0.000 1.187 183 L HN 0.432 nan 8.230 nan 0.000 0.482 184 G N 4.244 112.796 108.800 -0.413 0.000 2.253 184 G HA2 -0.218 3.861 3.960 0.197 0.000 0.209 184 G HA3 -0.218 3.861 3.960 0.197 0.000 0.209 184 G C 0.397 175.159 174.900 -0.231 0.000 0.997 184 G CA -0.059 44.702 45.100 -0.565 0.000 0.640 184 G HN 0.595 nan 8.290 nan 0.000 0.496 185 I N 3.307 123.766 120.570 -0.185 0.000 2.683 185 I HA 0.185 4.474 4.170 0.197 0.000 0.286 185 I C -1.692 174.401 176.117 -0.040 0.000 1.175 185 I CA -1.467 59.772 61.300 -0.102 0.000 1.429 185 I CB 0.792 38.743 38.000 -0.082 0.000 1.371 185 I HN -0.046 nan 8.210 nan 0.000 0.569 186 P HA 0.127 nan 4.420 nan 0.000 0.268 186 P C -0.945 176.369 177.300 0.025 0.000 1.204 186 P CA -0.095 63.006 63.100 0.002 0.000 0.768 186 P CB 0.585 32.270 31.700 -0.024 0.000 0.842 187 L N 4.451 125.711 121.223 0.062 0.000 2.386 187 L HA 0.558 5.016 4.340 0.197 0.000 0.271 187 L C -0.826 176.099 176.870 0.092 0.000 0.993 187 L CA -0.620 54.269 54.840 0.082 0.000 0.819 187 L CB 1.898 44.022 42.059 0.110 0.000 1.294 187 L HN 0.236 nan 8.230 nan 0.000 0.414 188 I N 3.363 123.975 120.570 0.070 0.000 2.378 188 I HA 0.419 4.707 4.170 0.197 0.000 0.291 188 I C -0.584 175.547 176.117 0.022 0.000 0.992 188 I CA 0.073 61.396 61.300 0.038 0.000 1.154 188 I CB 1.314 39.316 38.000 0.005 0.000 1.315 188 I HN 0.681 nan 8.210 nan 0.000 0.448 189 E N 7.997 128.190 120.200 -0.012 0.000 2.176 189 E HA 0.534 5.002 4.350 0.197 0.000 0.267 189 E C -1.568 174.956 176.600 -0.127 0.000 0.893 189 E CA -0.647 55.669 56.400 -0.140 0.000 0.761 189 E CB 1.270 30.864 29.700 -0.177 0.000 1.133 189 E HN 0.636 nan 8.360 nan 0.000 0.409 190 I N 3.122 123.601 120.570 -0.150 0.000 2.436 190 I HA 0.255 4.543 4.170 0.197 0.000 0.289 190 I C -0.687 175.367 176.117 -0.106 0.000 1.010 190 I CA -0.653 60.587 61.300 -0.100 0.000 1.098 190 I CB 2.064 40.019 38.000 -0.076 0.000 1.266 190 I HN 0.403 nan 8.210 nan 0.000 0.434 191 S N 2.757 118.412 115.700 -0.074 0.000 2.561 191 S HA 0.586 5.174 4.470 0.197 0.000 0.303 191 S C -0.170 174.412 174.600 -0.029 0.000 1.110 191 S CA -0.778 57.387 58.200 -0.059 0.000 1.034 191 S CB 1.598 64.763 63.200 -0.058 0.000 1.010 191 S HN 0.535 nan 8.310 nan 0.000 0.482 192 T N 2.663 117.204 114.554 -0.021 0.000 3.051 192 T HA 0.503 4.971 4.350 0.197 0.000 0.356 192 T C 0.240 174.939 174.700 -0.001 0.000 1.204 192 T CA -0.282 61.816 62.100 -0.004 0.000 0.990 192 T CB 0.097 68.963 68.868 -0.003 0.000 1.628 192 T HN 0.788 nan 8.240 nan 0.000 0.550 193 T N 1.524 116.082 114.554 0.007 0.000 2.906 193 T HA 0.399 4.867 4.350 0.197 0.000 0.295 193 T C -2.430 172.277 174.700 0.012 0.000 1.061 193 T CA -1.377 60.730 62.100 0.010 0.000 1.000 193 T CB 1.682 70.561 68.868 0.018 0.000 1.103 193 T HN 0.162 nan 8.240 nan 0.000 0.486 194 P HA 0.022 nan 4.420 nan 0.000 0.274 194 P C 0.586 177.901 177.300 0.025 0.000 1.370 194 P CA 0.495 63.603 63.100 0.012 0.000 0.760 194 P CB -0.101 31.606 31.700 0.011 0.000 1.308 195 D N -1.348 119.075 120.400 0.038 0.000 2.366 195 D HA 0.001 4.759 4.640 0.197 0.000 0.205 195 D C 0.839 177.210 176.300 0.119 0.000 1.022 195 D CA -0.085 53.959 54.000 0.074 0.000 0.868 195 D CB -0.181 40.666 40.800 0.078 0.000 0.953 195 D HN 0.211 nan 8.370 nan 0.000 0.514 196 I N 3.657 124.257 120.570 0.050 0.000 2.943 196 I HA -0.169 4.119 4.170 0.197 0.000 0.296 196 I C 1.390 177.490 176.117 -0.028 0.000 1.220 196 I CA 0.676 61.961 61.300 -0.024 0.000 1.409 196 I CB 0.186 38.133 38.000 -0.089 0.000 1.374 196 I HN 0.195 nan 8.210 nan 0.000 0.545 197 H N 6.021 125.055 119.070 -0.061 0.000 2.487 197 H HA 0.288 4.963 4.556 0.197 0.000 0.290 197 H C -0.298 174.963 175.328 -0.111 0.000 1.081 197 H CA -0.338 55.681 56.048 -0.047 0.000 1.116 197 H CB 0.042 29.823 29.762 0.033 0.000 1.560 197 H HN 0.648 nan 8.280 nan 0.000 0.548 198 H N 0.361 119.059 119.070 -0.621 0.000 3.086 198 H HA 0.175 4.849 4.556 0.197 0.000 0.353 198 H C -2.526 172.335 175.328 -0.778 0.000 1.134 198 H CA -1.342 54.222 56.048 -0.806 0.000 1.248 198 H CB 2.861 31.896 29.762 -1.211 0.000 1.878 198 H HN -0.124 nan 8.280 nan 0.000 0.527 199 P HA -0.191 nan 4.420 nan 0.000 0.215 199 P C 1.282 178.414 177.300 -0.279 0.000 1.163 199 P CA 1.369 64.152 63.100 -0.529 0.000 0.894 199 P CB 0.529 31.867 31.700 -0.602 0.000 0.791 200 E N -0.364 119.771 120.200 -0.109 0.000 2.058 200 E HA -0.246 4.222 4.350 0.197 0.000 0.194 200 E C 2.114 178.479 176.600 -0.391 0.000 0.997 200 E CA 1.186 57.453 56.400 -0.221 0.000 0.801 200 E CB -0.946 28.621 29.700 -0.221 0.000 0.746 200 E HN 0.426 nan 8.360 nan 0.000 0.450 201 Q N 0.465 119.747 119.800 -0.865 0.000 2.173 201 Q HA -0.217 4.241 4.340 0.197 0.000 0.208 201 Q C 1.970 177.842 176.000 -0.215 0.000 0.989 201 Q CA 1.880 57.376 55.803 -0.512 0.000 0.872 201 Q CB -0.103 28.233 28.738 -0.671 0.000 0.909 201 Q HN 0.227 nan 8.270 nan 0.000 0.420 202 A N 1.297 123.977 122.820 -0.233 0.000 1.858 202 A HA -0.227 4.212 4.320 0.197 0.000 0.216 202 A C 2.061 179.603 177.584 -0.071 0.000 1.190 202 A CA 1.715 53.672 52.037 -0.134 0.000 0.617 202 A CB -0.674 18.236 19.000 -0.150 0.000 0.827 202 A HN 0.439 nan 8.150 nan 0.000 0.443 203 K N -0.277 120.080 120.400 -0.071 0.000 2.103 203 K HA -0.116 4.322 4.320 0.197 0.000 0.207 203 K C 1.809 178.419 176.600 0.018 0.000 1.048 203 K CA 1.620 57.894 56.287 -0.022 0.000 0.930 203 K CB -0.268 32.222 32.500 -0.016 0.000 0.716 203 K HN 0.258 nan 8.250 nan 0.000 0.444 204 V N 0.565 120.496 119.914 0.028 0.000 2.270 204 V HA -0.231 4.008 4.120 0.197 0.000 0.245 204 V C 2.339 178.493 176.094 0.100 0.000 1.043 204 V CA 1.576 63.923 62.300 0.077 0.000 1.014 204 V CB -0.214 31.676 31.823 0.112 0.000 0.645 204 V HN 0.151 nan 8.190 nan 0.000 0.447 205 V N 0.396 120.353 119.914 0.072 0.000 2.261 205 V HA -0.269 3.969 4.120 0.197 0.000 0.246 205 V C 2.763 178.921 176.094 0.107 0.000 1.047 205 V CA 2.069 64.434 62.300 0.109 0.000 1.015 205 V CB -1.286 30.572 31.823 0.057 0.000 0.642 205 V HN 0.554 nan 8.190 nan 0.000 0.446 206 A N -0.230 122.619 122.820 0.048 0.000 1.917 206 A HA -0.339 4.099 4.320 0.197 0.000 0.219 206 A C 2.344 179.949 177.584 0.035 0.000 1.182 206 A CA 2.588 54.641 52.037 0.026 0.000 0.633 206 A CB -0.533 18.469 19.000 0.003 0.000 0.819 206 A HN 0.557 nan 8.150 nan 0.000 0.448 207 K N -1.931 118.506 120.400 0.061 0.000 2.062 207 K HA -0.085 4.353 4.320 0.197 0.000 0.205 207 K C 1.786 178.441 176.600 0.092 0.000 1.051 207 K CA 1.272 57.597 56.287 0.062 0.000 0.941 207 K CB -0.304 32.237 32.500 0.068 0.000 0.719 207 K HN 0.374 nan 8.250 nan 0.000 0.440 208 F N 1.901 121.850 119.950 -0.003 0.000 2.075 208 F HA -0.158 4.487 4.527 0.198 0.000 0.297 208 F C 1.659 177.456 175.800 -0.005 0.000 1.113 208 F CA 1.446 59.445 58.000 -0.002 0.000 1.218 208 F CB -0.308 38.694 39.000 0.003 0.000 0.984 208 F HN -0.036 nan 8.300 nan 0.000 0.472 209 I N 0.164 120.643 120.570 -0.153 0.000 2.226 209 I HA -0.250 4.038 4.170 0.197 0.000 0.245 209 I C 2.768 178.764 176.117 -0.200 0.000 1.100 209 I CA 1.423 62.581 61.300 -0.237 0.000 1.374 209 I CB -1.466 36.491 38.000 -0.071 0.000 1.057 209 I HN 0.310 nan 8.210 nan 0.000 0.413 210 G N 0.568 109.302 108.800 -0.110 0.000 2.440 210 G HA2 -0.253 3.825 3.960 0.197 0.000 0.218 210 G HA3 -0.253 3.825 3.960 0.197 0.000 0.218 210 G C 1.309 176.143 174.900 -0.110 0.000 1.154 210 G CA 1.027 46.077 45.100 -0.083 0.000 0.767 210 G HN 0.303 nan 8.290 nan 0.000 0.552 211 D N 0.911 121.228 120.400 -0.138 0.000 2.117 211 D HA -0.011 4.747 4.640 0.197 0.000 0.198 211 D C 2.876 179.054 176.300 -0.203 0.000 0.982 211 D CA 1.095 55.013 54.000 -0.137 0.000 0.828 211 D CB -0.423 40.324 40.800 -0.088 0.000 0.967 211 D HN 0.287 nan 8.370 nan 0.000 0.464 212 A N 1.034 123.632 122.820 -0.371 0.000 1.917 212 A HA -0.178 4.260 4.320 0.197 0.000 0.219 212 A C 2.416 179.891 177.584 -0.182 0.000 1.182 212 A CA 1.098 52.928 52.037 -0.344 0.000 0.633 212 A CB -0.850 17.863 19.000 -0.478 0.000 0.819 212 A HN 0.210 nan 8.150 nan 0.000 0.448 213 L N -1.328 119.800 121.223 -0.158 0.000 2.017 213 L HA -0.180 4.278 4.340 0.197 0.000 0.208 213 L C 2.835 179.664 176.870 -0.068 0.000 1.073 213 L CA 1.724 56.507 54.840 -0.094 0.000 0.745 213 L CB -0.502 41.510 42.059 -0.078 0.000 0.894 213 L HN 0.435 nan 8.230 nan 0.000 0.432 214 R N 0.331 120.790 120.500 -0.068 0.000 2.091 214 R HA -0.208 4.251 4.340 0.197 0.000 0.238 214 R C 2.321 178.598 176.300 -0.038 0.000 1.136 214 R CA 1.464 57.537 56.100 -0.044 0.000 0.959 214 R CB -0.300 29.976 30.300 -0.040 0.000 0.856 214 R HN 0.362 nan 8.270 nan 0.000 0.437 215 A N 0.693 123.482 122.820 -0.052 0.000 1.881 215 A HA -0.279 4.159 4.320 0.197 0.000 0.219 215 A C 2.196 179.766 177.584 -0.023 0.000 1.215 215 A CA 2.854 54.869 52.037 -0.038 0.000 0.648 215 A CB -1.576 17.394 19.000 -0.050 0.000 0.832 215 A HN 0.676 nan 8.150 nan 0.000 0.455 216 T N -2.814 111.723 114.554 -0.028 0.000 2.896 216 T HA -0.222 4.246 4.350 0.197 0.000 0.270 216 T C 0.995 175.689 174.700 -0.009 0.000 1.104 216 T CA 1.660 63.751 62.100 -0.016 0.000 1.115 216 T CB -0.679 68.177 68.868 -0.020 0.000 0.843 216 T HN 0.617 nan 8.240 nan 0.000 0.523 217 K N 0.711 121.104 120.400 -0.011 0.000 2.971 217 K HA -0.218 4.220 4.320 0.197 0.000 0.265 217 K C 0.119 176.716 176.600 -0.004 0.000 1.052 217 K CA 1.502 57.786 56.287 -0.004 0.000 0.780 217 K CB -1.091 31.411 32.500 0.004 0.000 1.214 217 K HN 0.863 nan 8.250 nan 0.000 0.478 218 K N -1.295 119.100 120.400 -0.008 0.000 3.257 218 K HA 0.277 4.716 4.320 0.197 0.000 0.196 218 K C -0.685 175.908 176.600 -0.012 0.000 1.089 218 K CA -0.689 55.593 56.287 -0.008 0.000 0.959 218 K CB 1.082 33.578 32.500 -0.007 0.000 0.719 218 K HN -0.073 nan 8.250 nan 0.000 0.446 219 V N 1.819 121.725 119.914 -0.013 0.000 2.448 219 V HA 0.251 4.489 4.120 0.197 0.000 0.295 219 V C -0.262 175.826 176.094 -0.011 0.000 1.025 219 V CA -0.854 61.437 62.300 -0.014 0.000 0.859 219 V CB 1.836 33.648 31.823 -0.019 0.000 0.988 219 V HN 0.343 nan 8.190 nan 0.000 0.431 220 K N 4.739 125.133 120.400 -0.010 0.000 2.485 220 K HA 0.254 4.692 4.320 0.197 0.000 0.277 220 K C -0.261 176.335 176.600 -0.008 0.000 0.990 220 K CA 0.117 56.399 56.287 -0.009 0.000 0.994 220 K CB 0.557 33.050 32.500 -0.010 0.000 0.906 220 K HN 0.532 nan 8.250 nan 0.000 0.488 221 R N 0.674 121.170 120.500 -0.007 0.000 2.637 221 R HA 0.615 5.073 4.340 0.197 0.000 0.291 221 R C 0.013 176.310 176.300 -0.005 0.000 0.963 221 R CA -0.725 55.372 56.100 -0.005 0.000 0.901 221 R CB 2.005 32.303 30.300 -0.004 0.000 1.160 221 R HN 0.869 nan 8.270 nan 0.000 0.457 222 G N 0.790 109.588 108.800 -0.005 0.000 2.345 222 G HA2 0.050 4.129 3.960 0.197 0.000 0.285 222 G HA3 0.050 4.129 3.960 0.197 0.000 0.285 222 G C -0.302 174.595 174.900 -0.005 0.000 1.297 222 G CA -0.917 44.180 45.100 -0.005 0.000 0.875 222 G HN 0.421 nan 8.290 nan 0.000 0.506 223 L N 0.621 121.840 121.223 -0.006 0.000 1.890 223 L HA 0.278 4.736 4.340 0.197 0.000 0.219 223 L C 2.320 179.187 176.870 -0.006 0.000 1.104 223 L CA 1.369 56.206 54.840 -0.006 0.000 0.792 223 L CB -0.515 41.539 42.059 -0.008 0.000 0.887 223 L HN 0.708 nan 8.230 nan 0.000 0.432 224 G N -0.924 107.871 108.800 -0.008 0.000 2.916 224 G HA2 0.265 4.343 3.960 0.197 0.000 0.280 224 G HA3 0.265 4.343 3.960 0.197 0.000 0.280 224 G C 0.093 174.989 174.900 -0.007 0.000 0.758 224 G CA 0.008 45.103 45.100 -0.008 0.000 1.993 224 G HN 0.420 nan 8.290 nan 0.000 0.564 225 T N 0.697 115.250 114.554 -0.002 0.000 3.130 225 T HA 0.254 4.722 4.350 0.197 0.000 0.288 225 T C 0.377 175.083 174.700 0.011 0.000 0.936 225 T CA 0.015 62.115 62.100 0.001 0.000 0.897 225 T CB 0.216 69.082 68.868 -0.003 0.000 1.178 225 T HN 0.361 nan 8.240 nan 0.000 0.543 226 I N 1.571 122.149 120.570 0.014 0.000 2.499 226 I HA 0.488 4.776 4.170 0.197 0.000 0.288 226 I C -0.642 175.496 176.117 0.035 0.000 1.048 226 I CA -0.943 60.371 61.300 0.023 0.000 1.062 226 I CB 2.407 40.413 38.000 0.010 0.000 1.238 226 I HN -0.249 nan 8.210 nan 0.000 0.426 227 R N 5.468 126.009 120.500 0.068 0.000 2.288 227 R HA 0.463 4.921 4.340 0.197 0.000 0.326 227 R C -0.998 175.340 176.300 0.064 0.000 0.959 227 R CA -0.605 55.548 56.100 0.088 0.000 0.834 227 R CB 1.731 32.145 30.300 0.189 0.000 1.157 227 R HN 0.591 nan 8.270 nan 0.000 0.470 228 Q N 2.551 122.372 119.800 0.035 0.000 2.401 228 Q HA 0.268 4.726 4.340 0.197 0.000 0.260 228 Q C -1.188 174.820 176.000 0.013 0.000 1.034 228 Q CA -0.635 55.176 55.803 0.013 0.000 0.737 228 Q CB 2.203 30.942 28.738 0.002 0.000 1.227 228 Q HN 0.398 nan 8.270 nan 0.000 0.488 229 D N 2.811 123.219 120.400 0.014 0.000 2.248 229 D HA 0.518 5.276 4.640 0.197 0.000 0.246 229 D C -0.350 175.947 176.300 -0.004 0.000 1.027 229 D CA -0.375 53.633 54.000 0.012 0.000 0.853 229 D CB 2.112 42.931 40.800 0.033 0.000 1.243 229 D HN 0.301 nan 8.370 nan 0.000 0.462 230 L N 1.408 122.626 121.223 -0.008 0.000 2.313 230 L HA 0.510 4.969 4.340 0.197 0.000 0.268 230 L C 0.146 177.009 176.870 -0.012 0.000 1.010 230 L CA -0.975 53.855 54.840 -0.016 0.000 0.814 230 L CB 1.482 43.526 42.059 -0.025 0.000 1.304 230 L HN 0.368 nan 8.230 nan 0.000 0.441 231 N N 0.312 119.003 118.700 -0.015 0.000 2.594 231 N HA 0.348 5.206 4.740 0.197 0.000 0.280 231 N C -1.342 174.159 175.510 -0.014 0.000 1.156 231 N CA -0.392 52.653 53.050 -0.009 0.000 0.831 231 N CB 1.622 40.108 38.487 -0.003 0.000 1.379 231 N HN 0.211 nan 8.380 nan 0.000 0.536 232 V N 0.750 120.654 119.914 -0.015 0.000 3.109 232 V HA 0.776 5.014 4.120 0.197 0.000 0.317 232 V C 0.658 176.745 176.094 -0.012 0.000 1.074 232 V CA -0.514 61.774 62.300 -0.020 0.000 1.033 232 V CB 1.373 33.180 31.823 -0.026 0.000 1.111 232 V HN 0.915 nan 8.190 nan 0.000 0.458 233 S N 1.161 116.854 115.700 -0.012 0.000 2.615 233 S HA 0.761 5.349 4.470 0.197 0.000 0.268 233 S C -1.682 172.913 174.600 -0.009 0.000 1.146 233 S CA -0.652 57.543 58.200 -0.008 0.000 0.818 233 S CB 1.451 64.650 63.200 -0.001 0.000 1.111 233 S HN 0.596 nan 8.310 nan 0.000 0.465 234 I N 0.825 121.387 120.570 -0.013 0.000 2.913 234 I HA 0.419 4.707 4.170 0.197 0.000 0.302 234 I C -0.641 175.467 176.117 -0.015 0.000 1.246 234 I CA -0.936 60.353 61.300 -0.018 0.000 1.010 234 I CB 2.390 40.360 38.000 -0.050 0.000 1.259 234 I HN 0.725 nan 8.210 nan 0.000 0.434 235 K N 2.574 122.967 120.400 -0.011 0.000 2.366 235 K HA 0.231 4.669 4.320 0.197 0.000 0.279 235 K C 0.810 177.400 176.600 -0.016 0.000 1.098 235 K CA 1.344 57.626 56.287 -0.009 0.000 1.087 235 K CB -0.122 32.375 32.500 -0.005 0.000 0.901 235 K HN 0.924 nan 8.250 nan 0.000 0.463 236 G N 2.243 111.035 108.800 -0.012 0.000 2.159 236 G HA2 -0.206 3.872 3.960 0.197 0.000 0.227 236 G HA3 -0.206 3.872 3.960 0.197 0.000 0.227 236 G C 0.386 175.276 174.900 -0.016 0.000 0.986 236 G CA -0.174 44.918 45.100 -0.013 0.000 0.651 236 G HN 0.841 nan 8.290 nan 0.000 0.523 237 G N -0.442 108.348 108.800 -0.016 0.000 3.392 237 G HA2 0.959 5.038 3.960 0.197 0.000 0.188 237 G HA3 0.959 5.038 3.960 0.197 0.000 0.188 237 G C 0.044 174.941 174.900 -0.005 0.000 1.485 237 G CA 0.789 45.879 45.100 -0.017 0.000 0.943 237 G HN 1.767 nan 8.290 nan 0.000 0.627 238 A N -1.115 121.703 122.820 -0.003 0.000 2.604 238 A HA 0.686 5.124 4.320 0.197 0.000 0.295 238 A C -0.488 177.100 177.584 0.007 0.000 1.067 238 A CA -0.634 51.407 52.037 0.006 0.000 0.683 238 A CB 1.240 20.249 19.000 0.014 0.000 1.281 238 A HN 0.699 nan 8.150 nan 0.000 0.407 239 R N 1.453 121.959 120.500 0.011 0.000 2.351 239 R HA 0.457 4.915 4.340 0.197 0.000 0.318 239 R C -1.310 175.000 176.300 0.016 0.000 1.055 239 R CA 0.231 56.338 56.100 0.011 0.000 0.968 239 R CB -0.135 30.172 30.300 0.012 0.000 0.974 239 R HN 0.554 nan 8.270 nan 0.000 0.439 240 I N 4.155 124.733 120.570 0.013 0.000 2.382 240 I HA 0.136 4.424 4.170 0.197 0.000 0.285 240 I C -0.028 176.097 176.117 0.012 0.000 1.007 240 I CA -0.579 60.733 61.300 0.019 0.000 1.142 240 I CB 1.767 39.779 38.000 0.021 0.000 1.289 240 I HN 0.640 nan 8.210 nan 0.000 0.453 241 E N 7.552 127.761 120.200 0.014 0.000 2.299 241 E HA 0.261 4.729 4.350 0.197 0.000 0.272 241 E C -0.889 175.711 176.600 0.000 0.000 1.043 241 E CA -0.203 56.201 56.400 0.007 0.000 0.895 241 E CB 0.724 30.430 29.700 0.010 0.000 1.011 241 E HN 0.490 nan 8.360 nan 0.000 0.432 242 I N 6.032 126.600 120.570 -0.003 0.000 2.359 242 I HA 0.236 4.524 4.170 0.197 0.000 0.284 242 I C 0.199 176.311 176.117 -0.008 0.000 1.018 242 I CA -0.862 60.434 61.300 -0.008 0.000 1.173 242 I CB 0.883 38.878 38.000 -0.008 0.000 1.326 242 I HN 0.261 nan 8.210 nan 0.000 0.462 243 K N 3.449 123.841 120.400 -0.014 0.000 2.098 243 K HA 0.432 4.870 4.320 0.197 0.000 0.244 243 K C 0.859 177.452 176.600 -0.011 0.000 1.014 243 K CA -0.318 55.964 56.287 -0.009 0.000 0.917 243 K CB 1.004 33.494 32.500 -0.016 0.000 1.072 243 K HN 0.804 nan 8.250 nan 0.000 0.477 244 G N 0.144 108.941 108.800 -0.004 0.000 2.338 244 G HA2 -0.212 3.866 3.960 0.197 0.000 0.296 244 G HA3 -0.212 3.866 3.960 0.197 0.000 0.296 244 G C -0.127 174.770 174.900 -0.005 0.000 1.040 244 G CA 0.071 45.167 45.100 -0.006 0.000 1.004 244 G HN 0.244 nan 8.290 nan 0.000 0.509 245 V N 2.754 122.667 119.914 -0.003 0.000 2.370 245 V HA 0.102 4.340 4.120 0.197 0.000 0.257 245 V C 1.825 177.917 176.094 -0.003 0.000 1.064 245 V CA 0.299 62.596 62.300 -0.005 0.000 0.975 245 V CB 0.961 32.780 31.823 -0.007 0.000 1.067 245 V HN 0.721 nan 8.190 nan 0.000 0.485 246 Q N 5.733 125.530 119.800 -0.004 0.000 1.927 246 Q HA -0.193 4.265 4.340 0.197 0.000 0.210 246 Q C 0.331 176.329 176.000 -0.003 0.000 1.001 246 Q CA 1.563 57.364 55.803 -0.003 0.000 0.862 246 Q CB -0.250 28.486 28.738 -0.004 0.000 0.934 246 Q HN 0.871 nan 8.270 nan 0.000 0.420 247 E N 0.157 120.355 120.200 -0.003 0.000 2.183 247 E HA 0.378 4.846 4.350 0.197 0.000 0.271 247 E C 0.526 177.124 176.600 -0.003 0.000 0.919 247 E CA -0.510 55.888 56.400 -0.003 0.000 0.781 247 E CB 1.557 31.256 29.700 -0.002 0.000 1.140 247 E HN 0.065 nan 8.360 nan 0.000 0.402 248 L N 1.878 123.099 121.223 -0.003 0.000 2.123 248 L HA -0.271 4.187 4.340 0.197 0.000 0.217 248 L C 1.030 177.898 176.870 -0.003 0.000 1.081 248 L CA 2.105 56.943 54.840 -0.003 0.000 0.772 248 L CB -0.396 41.664 42.059 0.001 0.000 0.890 248 L HN 0.699 nan 8.230 nan 0.000 0.437 249 D N -1.203 119.197 120.400 -0.000 0.000 2.378 249 D HA -0.095 4.663 4.640 0.197 0.000 0.227 249 D C 1.862 178.161 176.300 -0.002 0.000 1.012 249 D CA 0.628 54.629 54.000 0.002 0.000 0.905 249 D CB 0.193 40.995 40.800 0.004 0.000 0.895 249 D HN 0.455 nan 8.370 nan 0.000 0.532 250 M N -0.178 119.419 119.600 -0.005 0.000 2.516 250 M HA 0.094 4.692 4.480 0.197 0.000 0.259 250 M C 2.157 178.448 176.300 -0.016 0.000 1.146 250 M CA 0.065 55.361 55.300 -0.007 0.000 1.122 250 M CB -0.031 32.566 32.600 -0.005 0.000 1.341 250 M HN 0.004 nan 8.290 nan 0.000 0.478 251 I N 1.038 121.596 120.570 -0.021 0.000 2.181 251 I HA -0.297 3.991 4.170 0.197 0.000 0.247 251 I C -0.682 175.401 176.117 -0.056 0.000 1.081 251 I CA 1.911 63.189 61.300 -0.036 0.000 1.340 251 I CB -1.692 36.285 38.000 -0.037 0.000 1.036 251 I HN 0.171 nan 8.210 nan 0.000 0.417 252 P HA -0.120 nan 4.420 nan 0.000 0.217 252 P C 1.951 179.215 177.300 -0.060 0.000 1.154 252 P CA 1.310 64.364 63.100 -0.078 0.000 0.841 252 P CB 0.068 31.739 31.700 -0.048 0.000 0.788 253 I N -1.183 119.373 120.570 -0.023 0.000 2.353 253 I HA -0.173 4.116 4.170 0.197 0.000 0.248 253 I C 1.923 178.043 176.117 0.004 0.000 1.119 253 I CA 1.151 62.450 61.300 -0.000 0.000 1.417 253 I CB -0.139 37.867 38.000 0.009 0.000 1.078 253 I HN -0.168 nan 8.210 nan 0.000 0.421 254 I N 0.936 121.501 120.570 -0.009 0.000 2.142 254 I HA -0.348 3.941 4.170 0.197 0.000 0.240 254 I C 2.413 178.524 176.117 -0.011 0.000 1.078 254 I CA 1.721 63.017 61.300 -0.007 0.000 1.343 254 I CB -0.307 37.684 38.000 -0.014 0.000 1.046 254 I HN 0.193 nan 8.210 nan 0.000 0.405 255 I N 0.409 120.954 120.570 -0.041 0.000 2.264 255 I HA -0.334 3.955 4.170 0.197 0.000 0.248 255 I C 2.610 178.717 176.117 -0.018 0.000 1.111 255 I CA 1.553 62.815 61.300 -0.064 0.000 1.382 255 I CB -0.515 37.398 38.000 -0.145 0.000 1.060 255 I HN 0.373 nan 8.210 nan 0.000 0.418 256 E N 1.063 121.271 120.200 0.015 0.000 2.047 256 E HA -0.217 4.251 4.350 0.197 0.000 0.191 256 E C 2.389 179.112 176.600 0.205 0.000 0.987 256 E CA 0.873 57.376 56.400 0.172 0.000 0.799 256 E CB 0.115 29.914 29.700 0.164 0.000 0.752 256 E HN 0.273 nan 8.360 nan 0.000 0.449 257 R N 0.677 121.245 120.500 0.114 0.000 2.096 257 R HA -0.133 4.325 4.340 0.197 0.000 0.235 257 R C 2.195 178.530 176.300 0.058 0.000 1.127 257 R CA 1.276 57.434 56.100 0.095 0.000 0.968 257 R CB -0.536 29.797 30.300 0.055 0.000 0.861 257 R HN 0.227 nan 8.270 nan 0.000 0.440 258 E N 0.597 120.816 120.200 0.032 0.000 2.047 258 E HA -0.090 4.378 4.350 0.197 0.000 0.191 258 E C 1.971 178.554 176.600 -0.028 0.000 0.987 258 E CA 1.076 57.477 56.400 0.002 0.000 0.799 258 E CB -0.288 29.409 29.700 -0.005 0.000 0.752 258 E HN -0.009 nan 8.360 nan 0.000 0.449 259 V N 1.125 121.023 119.914 -0.027 0.000 2.380 259 V HA -0.270 3.968 4.120 0.197 0.000 0.251 259 V C 2.466 178.381 176.094 -0.299 0.000 1.063 259 V CA 2.290 64.511 62.300 -0.131 0.000 1.055 259 V CB -0.560 31.226 31.823 -0.061 0.000 0.657 259 V HN 0.402 nan 8.190 nan 0.000 0.455 260 E N 0.069 120.156 120.200 -0.189 0.000 2.031 260 E HA -0.260 4.208 4.350 0.197 0.000 0.193 260 E C 2.490 179.029 176.600 -0.101 0.000 0.994 260 E CA 1.391 57.698 56.400 -0.154 0.000 0.800 260 E CB -0.139 29.656 29.700 0.158 0.000 0.752 260 E HN 0.455 nan 8.360 nan 0.000 0.447 261 R N 0.310 120.782 120.500 -0.048 0.000 2.103 261 R HA -0.232 4.226 4.340 0.197 0.000 0.234 261 R C 2.492 178.754 176.300 -0.063 0.000 1.132 261 R CA 2.308 58.385 56.100 -0.039 0.000 0.925 261 R CB -0.244 30.046 30.300 -0.017 0.000 0.842 261 R HN 0.302 nan 8.270 nan 0.000 0.430 262 Q N 0.006 119.762 119.800 -0.073 0.000 2.096 262 Q HA -0.204 4.254 4.340 0.197 0.000 0.204 262 Q C 2.182 178.119 176.000 -0.106 0.000 0.982 262 Q CA 1.452 57.210 55.803 -0.076 0.000 0.850 262 Q CB -0.147 28.549 28.738 -0.069 0.000 0.901 262 Q HN 0.250 nan 8.270 nan 0.000 0.422 263 L N 1.298 122.419 121.223 -0.170 0.000 2.046 263 L HA -0.201 4.257 4.340 0.197 0.000 0.208 263 L C 1.718 178.515 176.870 -0.123 0.000 1.077 263 L CA 1.702 56.426 54.840 -0.194 0.000 0.747 263 L CB -0.537 41.304 42.059 -0.364 0.000 0.896 263 L HN 0.186 nan 8.230 nan 0.000 0.432 264 N N -0.531 118.108 118.700 -0.100 0.000 2.106 264 N HA -0.145 4.713 4.740 0.197 0.000 0.188 264 N C 1.965 177.434 175.510 -0.069 0.000 1.029 264 N CA 1.536 54.545 53.050 -0.068 0.000 0.848 264 N CB -0.405 38.052 38.487 -0.050 0.000 1.007 264 N HN 0.339 nan 8.380 nan 0.000 0.423 265 L N 1.147 122.330 121.223 -0.066 0.000 2.051 265 L HA -0.199 4.259 4.340 0.197 0.000 0.214 265 L C 2.330 179.165 176.870 -0.059 0.000 1.076 265 L CA 1.065 55.869 54.840 -0.060 0.000 0.758 265 L CB -0.566 41.468 42.059 -0.041 0.000 0.890 265 L HN 0.172 nan 8.230 nan 0.000 0.433 266 L N -0.509 120.679 121.223 -0.058 0.000 2.012 266 L HA -0.256 4.202 4.340 0.197 0.000 0.210 266 L C 2.652 179.489 176.870 -0.056 0.000 1.073 266 L CA 1.501 56.310 54.840 -0.052 0.000 0.748 266 L CB -0.553 41.473 42.059 -0.055 0.000 0.891 266 L HN 0.249 nan 8.230 nan 0.000 0.431 267 K N 0.222 120.585 120.400 -0.061 0.000 2.063 267 K HA -0.175 4.263 4.320 0.197 0.000 0.208 267 K C 2.037 178.595 176.600 -0.071 0.000 1.048 267 K CA 1.400 57.652 56.287 -0.058 0.000 0.928 267 K CB -0.192 32.277 32.500 -0.052 0.000 0.713 267 K HN 0.263 nan 8.250 nan 0.000 0.442 268 I N 0.560 121.078 120.570 -0.087 0.000 2.163 268 I HA -0.283 4.006 4.170 0.197 0.000 0.240 268 I C 2.696 178.734 176.117 -0.131 0.000 1.081 268 I CA 1.045 62.271 61.300 -0.123 0.000 1.353 268 I CB -0.337 37.574 38.000 -0.148 0.000 1.054 268 I HN 0.192 nan 8.210 nan 0.000 0.407 269 R N 1.166 121.607 120.500 -0.097 0.000 2.133 269 R HA -0.247 4.211 4.340 0.197 0.000 0.247 269 R C 1.700 177.960 176.300 -0.066 0.000 1.151 269 R CA 2.359 58.415 56.100 -0.075 0.000 0.971 269 R CB -0.352 29.926 30.300 -0.038 0.000 0.866 269 R HN 0.347 nan 8.270 nan 0.000 0.447 270 D N 0.266 120.631 120.400 -0.059 0.000 2.144 270 D HA -0.142 4.616 4.640 0.197 0.000 0.200 270 D C 1.857 178.124 176.300 -0.054 0.000 0.978 270 D CA 0.840 54.812 54.000 -0.047 0.000 0.833 270 D CB -0.230 40.546 40.800 -0.040 0.000 0.961 270 D HN 0.225 nan 8.370 nan 0.000 0.470 271 E N 0.429 120.585 120.200 -0.074 0.000 2.077 271 E HA -0.080 4.388 4.350 0.197 0.000 0.193 271 E C 2.378 178.926 176.600 -0.086 0.000 0.989 271 E CA 0.278 56.632 56.400 -0.077 0.000 0.800 271 E CB -0.193 29.450 29.700 -0.095 0.000 0.746 271 E HN 0.318 nan 8.360 nan 0.000 0.452 272 L N 0.048 121.197 121.223 -0.123 0.000 1.976 272 L HA -0.175 4.283 4.340 0.197 0.000 0.209 272 L C 2.784 179.628 176.870 -0.044 0.000 1.071 272 L CA 1.284 56.052 54.840 -0.120 0.000 0.746 272 L CB -0.415 41.538 42.059 -0.177 0.000 0.890 272 L HN 0.047 nan 8.230 nan 0.000 0.432 273 R N 0.053 120.533 120.500 -0.032 0.000 2.119 273 R HA -0.256 4.203 4.340 0.197 0.000 0.246 273 R C 2.360 178.655 176.300 -0.008 0.000 1.146 273 R CA 1.829 57.923 56.100 -0.010 0.000 0.962 273 R CB -0.303 29.991 30.300 -0.011 0.000 0.863 273 R HN 0.302 nan 8.270 nan 0.000 0.442 274 K N 0.810 121.199 120.400 -0.018 0.000 2.057 274 K HA -0.148 4.290 4.320 0.197 0.000 0.207 274 K C 1.949 178.545 176.600 -0.007 0.000 1.049 274 K CA 1.330 57.609 56.287 -0.013 0.000 0.931 274 K CB 0.067 32.555 32.500 -0.020 0.000 0.714 274 K HN 0.122 nan 8.250 nan 0.000 0.440 275 R N -0.514 119.980 120.500 -0.009 0.000 2.189 275 R HA 0.006 4.464 4.340 0.197 0.000 0.218 275 R C 0.431 176.741 176.300 0.017 0.000 1.074 275 R CA 0.653 56.755 56.100 0.003 0.000 0.991 275 R CB -0.058 30.242 30.300 0.001 0.000 0.883 275 R HN 0.412 nan 8.270 nan 0.000 0.457 276 G N 1.031 109.841 108.800 0.017 0.000 2.738 276 G HA2 -0.175 3.903 3.960 0.197 0.000 0.262 276 G HA3 -0.175 3.903 3.960 0.197 0.000 0.262 276 G C -0.647 174.280 174.900 0.045 0.000 1.032 276 G CA -0.419 44.697 45.100 0.027 0.000 1.278 276 G HN 0.111 nan 8.290 nan 0.000 0.537 277 V N 2.418 122.368 119.914 0.059 0.000 2.668 277 V HA 0.583 4.822 4.120 0.197 0.000 0.304 277 V C 0.198 176.343 176.094 0.085 0.000 1.071 277 V CA -1.016 61.339 62.300 0.091 0.000 0.894 277 V CB 2.023 33.943 31.823 0.163 0.000 1.008 277 V HN 0.630 nan 8.190 nan 0.000 0.425 278 K N 4.370 124.809 120.400 0.065 0.000 2.156 278 K HA 0.478 4.916 4.320 0.197 0.000 0.250 278 K C -1.959 174.669 176.600 0.048 0.000 0.955 278 K CA -1.824 54.494 56.287 0.052 0.000 0.855 278 K CB 2.059 34.578 32.500 0.032 0.000 1.101 278 K HN 0.219 nan 8.250 nan 0.000 0.434 279 P HA -0.300 nan 4.420 nan 0.000 0.218 279 P C 1.114 178.412 177.300 -0.003 0.000 1.150 279 P CA 1.797 64.909 63.100 0.021 0.000 0.841 279 P CB 0.180 31.891 31.700 0.018 0.000 0.784 280 K N -0.373 120.027 120.400 0.000 0.000 2.283 280 K HA -0.145 4.293 4.320 0.197 0.000 0.202 280 K C 1.552 178.144 176.600 -0.014 0.000 1.048 280 K CA 1.773 58.053 56.287 -0.011 0.000 0.948 280 K CB -1.578 30.919 32.500 -0.005 0.000 0.742 280 K HN 0.173 nan 8.250 nan 0.000 0.458 281 D N -0.221 120.179 120.400 -0.001 0.000 2.371 281 D HA 0.076 4.835 4.640 0.197 0.000 0.221 281 D C 0.064 176.353 176.300 -0.019 0.000 0.986 281 D CA 0.374 54.376 54.000 0.003 0.000 0.899 281 D CB 0.033 40.851 40.800 0.029 0.000 0.902 281 D HN 0.539 nan 8.370 nan 0.000 0.530 282 I N 1.691 122.233 120.570 -0.047 0.000 2.317 282 I HA 0.082 4.370 4.170 0.197 0.000 0.286 282 I C 0.137 176.197 176.117 -0.095 0.000 1.119 282 I CA -0.475 60.770 61.300 -0.092 0.000 1.228 282 I CB 0.348 38.258 38.000 -0.151 0.000 1.476 282 I HN -0.401 nan 8.210 nan 0.000 0.514 283 K N 4.842 125.192 120.400 -0.083 0.000 2.401 283 K HA 0.048 4.486 4.320 0.197 0.000 0.278 283 K C 0.512 177.001 176.600 -0.185 0.000 1.018 283 K CA -0.124 56.095 56.287 -0.113 0.000 0.981 283 K CB 0.621 33.064 32.500 -0.095 0.000 0.933 283 K HN 0.522 nan 8.250 nan 0.000 0.477 284 E N 3.204 123.264 120.200 -0.235 0.000 1.979 284 E HA 0.050 4.518 4.350 0.197 0.000 0.285 284 E C -1.090 175.081 176.600 -0.715 0.000 1.188 284 E CA -0.300 55.858 56.400 -0.402 0.000 1.214 284 E CB 0.048 29.588 29.700 -0.267 0.000 1.210 284 E HN 0.392 nan 8.360 nan 0.000 0.477 285 E N 2.220 122.013 120.200 -0.678 0.000 2.222 285 E HA 0.391 4.859 4.350 0.197 0.000 0.267 285 E C -1.131 175.074 176.600 -0.658 0.000 0.884 285 E CA -0.966 55.024 56.400 -0.684 0.000 0.764 285 E CB 1.288 30.748 29.700 -0.399 0.000 1.169 285 E HN 0.324 nan 8.360 nan 0.000 0.413 286 F N 1.457 121.381 119.950 -0.043 0.000 2.402 286 F HA 0.340 4.985 4.527 0.197 0.000 0.355 286 F C -0.534 175.295 175.800 0.049 0.000 1.123 286 F CA -1.183 56.849 58.000 0.053 0.000 1.021 286 F CB 0.464 39.473 39.000 0.014 0.000 1.160 286 F HN 0.376 nan 8.300 nan 0.000 0.451 287 Y N 1.609 121.980 120.300 0.118 0.000 2.335 287 Y HA 0.153 4.821 4.550 0.197 0.000 0.331 287 Y C 0.562 176.496 175.900 0.056 0.000 1.094 287 Y CA -0.899 57.237 58.100 0.060 0.000 1.253 287 Y CB 0.340 38.813 38.460 0.021 0.000 1.203 287 Y HN 0.499 nan 8.280 nan 0.000 0.508 288 D N 2.823 123.327 120.400 0.172 0.000 2.295 288 D HA 0.194 4.953 4.640 0.197 0.000 0.248 288 D C -0.069 176.289 176.300 0.098 0.000 1.154 288 D CA 0.118 54.178 54.000 0.100 0.000 0.857 288 D CB 1.260 42.095 40.800 0.059 0.000 1.117 288 D HN 0.424 nan 8.370 nan 0.000 0.468 289 V N 3.117 123.076 119.914 0.075 0.000 3.346 289 V HA -0.040 4.199 4.120 0.197 0.000 0.309 289 V C 1.993 178.184 176.094 0.162 0.000 1.457 289 V CA -0.012 62.354 62.300 0.110 0.000 1.069 289 V CB 0.256 32.147 31.823 0.113 0.000 0.944 289 V HN 0.582 nan 8.190 nan 0.000 0.449 290 T N 0.858 115.457 114.554 0.075 0.000 2.896 290 T HA -0.225 4.243 4.350 0.197 0.000 0.270 290 T C 1.386 176.165 174.700 0.132 0.000 1.104 290 T CA 1.955 64.099 62.100 0.074 0.000 1.115 290 T CB -0.231 68.652 68.868 0.024 0.000 0.843 290 T HN 0.610 nan 8.240 nan 0.000 0.523 291 D N 1.663 122.133 120.400 0.117 0.000 2.107 291 D HA 0.034 4.792 4.640 0.197 0.000 0.204 291 D C 2.100 178.437 176.300 0.062 0.000 0.978 291 D CA 0.683 54.727 54.000 0.073 0.000 0.852 291 D CB -0.502 40.324 40.800 0.043 0.000 1.008 291 D HN 0.366 nan 8.370 nan 0.000 0.458 292 I N 0.021 120.621 120.570 0.051 0.000 2.908 292 I HA -0.229 4.060 4.170 0.197 0.000 0.271 292 I C 0.894 176.784 176.117 -0.377 0.000 1.275 292 I CA 0.916 62.129 61.300 -0.145 0.000 1.446 292 I CB -0.309 37.570 38.000 -0.201 0.000 1.092 292 I HN -0.121 nan 8.210 nan 0.000 0.482 293 F N -0.391 119.524 119.950 -0.057 0.000 2.698 293 F HA 0.156 4.802 4.527 0.197 0.000 0.304 293 F C 1.889 177.664 175.800 -0.042 0.000 1.108 293 F CA -0.325 57.639 58.000 -0.059 0.000 1.263 293 F CB -0.193 38.758 39.000 -0.081 0.000 1.013 293 F HN -0.025 nan 8.300 nan 0.000 0.532 294 E N 1.006 121.252 120.200 0.077 0.000 2.153 294 E HA -0.144 4.325 4.350 0.197 0.000 0.194 294 E C 0.225 176.841 176.600 0.028 0.000 0.988 294 E CA 1.182 57.611 56.400 0.048 0.000 0.811 294 E CB 0.126 29.839 29.700 0.022 0.000 0.746 294 E HN 0.246 nan 8.360 nan 0.000 0.466 295 N N 1.240 119.941 118.700 0.001 0.000 2.642 295 N HA 0.055 4.914 4.740 0.197 0.000 0.308 295 N C -0.897 174.601 175.510 -0.020 0.000 1.914 295 N CA 0.069 53.116 53.050 -0.006 0.000 0.893 295 N CB 1.218 39.694 38.487 -0.017 0.000 1.322 295 N HN 0.063 nan 8.380 nan 0.000 0.490 296 T N -2.501 112.054 114.554 0.002 0.000 2.902 296 T HA 0.324 4.792 4.350 0.197 0.000 0.280 296 T C 0.836 175.550 174.700 0.025 0.000 0.992 296 T CA -0.507 61.588 62.100 -0.009 0.000 1.015 296 T CB 2.295 71.190 68.868 0.045 0.000 1.044 296 T HN -0.001 nan 8.240 nan 0.000 0.520 297 K N 0.189 120.603 120.400 0.023 0.000 2.437 297 K HA 0.225 4.663 4.320 0.197 0.000 0.205 297 K C 0.501 177.140 176.600 0.066 0.000 1.026 297 K CA -0.239 56.070 56.287 0.037 0.000 1.153 297 K CB 0.115 32.628 32.500 0.022 0.000 0.863 297 K HN 0.588 nan 8.250 nan 0.000 0.502 298 S N 0.823 116.576 115.700 0.089 0.000 2.416 298 S HA 0.146 4.735 4.470 0.197 0.000 0.287 298 S C 0.744 175.408 174.600 0.107 0.000 1.139 298 S CA -0.428 57.845 58.200 0.121 0.000 1.058 298 S CB 0.664 63.937 63.200 0.122 0.000 0.967 298 S HN 0.259 nan 8.310 nan 0.000 0.495 299 K N 4.031 124.495 120.400 0.107 0.000 2.113 299 K HA -0.168 4.270 4.320 0.197 0.000 0.208 299 K C 1.601 178.257 176.600 0.093 0.000 1.047 299 K CA 2.056 58.395 56.287 0.087 0.000 0.928 299 K CB -0.443 32.106 32.500 0.082 0.000 0.716 299 K HN 0.706 nan 8.250 nan 0.000 0.446 300 I N 0.977 121.626 120.570 0.132 0.000 2.058 300 I HA -0.322 3.966 4.170 0.197 0.000 0.235 300 I C 2.348 178.527 176.117 0.103 0.000 1.053 300 I CA 1.576 62.965 61.300 0.148 0.000 1.313 300 I CB -0.633 37.536 38.000 0.282 0.000 1.039 300 I HN 0.033 nan 8.210 nan 0.000 0.396 301 I N 1.140 121.750 120.570 0.067 0.000 2.208 301 I HA -0.321 3.967 4.170 0.197 0.000 0.245 301 I C 2.896 179.023 176.117 0.017 0.000 1.097 301 I CA 1.479 62.767 61.300 -0.020 0.000 1.363 301 I CB -0.661 37.258 38.000 -0.135 0.000 1.051 301 I HN 0.303 nan 8.210 nan 0.000 0.413 302 A N 1.148 123.997 122.820 0.048 0.000 1.917 302 A HA -0.254 4.184 4.320 0.197 0.000 0.219 302 A C 2.405 180.010 177.584 0.035 0.000 1.182 302 A CA 1.899 53.965 52.037 0.048 0.000 0.633 302 A CB -0.643 18.389 19.000 0.052 0.000 0.819 302 A HN 0.382 nan 8.150 nan 0.000 0.448 303 R N -0.860 119.663 120.500 0.038 0.000 2.066 303 R HA -0.048 4.410 4.340 0.197 0.000 0.232 303 R C 2.044 178.358 176.300 0.022 0.000 1.131 303 R CA 1.314 57.432 56.100 0.030 0.000 0.955 303 R CB -0.742 29.579 30.300 0.035 0.000 0.851 303 R HN 0.370 nan 8.270 nan 0.000 0.432 304 V N 1.856 121.783 119.914 0.022 0.000 2.282 304 V HA -0.291 3.947 4.120 0.197 0.000 0.249 304 V C 2.333 178.428 176.094 0.002 0.000 1.057 304 V CA 1.934 64.240 62.300 0.010 0.000 1.032 304 V CB -0.456 31.369 31.823 0.004 0.000 0.645 304 V HN 0.281 nan 8.190 nan 0.000 0.447 305 I N 0.331 120.902 120.570 0.003 0.000 2.142 305 I HA -0.267 4.021 4.170 0.197 0.000 0.240 305 I C 2.919 179.040 176.117 0.008 0.000 1.078 305 I CA 2.122 63.425 61.300 0.004 0.000 1.343 305 I CB -0.759 37.251 38.000 0.016 0.000 1.046 305 I HN 0.372 nan 8.210 nan 0.000 0.405 306 K N 1.287 121.694 120.400 0.012 0.000 2.218 306 K HA -0.181 4.257 4.320 0.197 0.000 0.205 306 K C 1.856 178.460 176.600 0.007 0.000 1.046 306 K CA 1.598 57.892 56.287 0.011 0.000 0.933 306 K CB -0.842 31.666 32.500 0.014 0.000 0.728 306 K HN 0.447 nan 8.250 nan 0.000 0.454 307 K N -1.404 118.999 120.400 0.006 0.000 2.444 307 K HA 0.186 4.624 4.320 0.197 0.000 0.193 307 K C 0.714 177.313 176.600 -0.002 0.000 1.024 307 K CA 0.391 56.680 56.287 0.003 0.000 1.077 307 K CB 0.380 32.882 32.500 0.004 0.000 0.833 307 K HN 0.545 nan 8.250 nan 0.000 0.517 308 G N 1.338 110.137 108.800 -0.002 0.000 2.164 308 G HA2 -0.188 3.891 3.960 0.197 0.000 0.212 308 G HA3 -0.188 3.891 3.960 0.197 0.000 0.212 308 G C 0.213 175.105 174.900 -0.013 0.000 1.031 308 G CA -0.280 44.816 45.100 -0.007 0.000 0.730 308 G HN 0.466 nan 8.290 nan 0.000 0.501 309 G N -0.839 107.953 108.800 -0.013 0.000 2.511 309 G HA2 0.730 4.809 3.960 0.197 0.000 0.316 309 G HA3 0.730 4.809 3.960 0.197 0.000 0.316 309 G C -0.140 174.742 174.900 -0.030 0.000 1.210 309 G CA -0.609 44.477 45.100 -0.023 0.000 0.969 309 G HN 0.426 nan 8.290 nan 0.000 0.492 310 K N -1.427 118.947 120.400 -0.044 0.000 2.395 310 K HA 0.615 5.053 4.320 0.197 0.000 0.245 310 K C -1.376 175.175 176.600 -0.083 0.000 1.017 310 K CA -0.837 55.420 56.287 -0.051 0.000 0.852 310 K CB 2.817 35.290 32.500 -0.046 0.000 1.311 310 K HN 0.172 nan 8.250 nan 0.000 0.452 311 V N 3.147 122.999 119.914 -0.102 0.000 2.289 311 V HA 0.281 4.519 4.120 0.197 0.000 0.272 311 V C -0.679 175.355 176.094 -0.100 0.000 1.026 311 V CA -0.743 61.447 62.300 -0.185 0.000 0.807 311 V CB 0.342 31.920 31.823 -0.409 0.000 1.044 311 V HN 0.488 nan 8.190 nan 0.000 0.443 312 L N 3.461 124.656 121.223 -0.046 0.000 2.334 312 L HA 0.883 5.342 4.340 0.197 0.000 0.277 312 L C 0.578 177.499 176.870 0.085 0.000 1.075 312 L CA -0.278 54.588 54.840 0.043 0.000 0.804 312 L CB 1.383 43.465 42.059 0.037 0.000 1.174 312 L HN 0.598 nan 8.230 nan 0.000 0.438 313 A N 3.678 126.589 122.820 0.151 0.000 2.284 313 A HA 0.907 5.345 4.320 0.197 0.000 0.317 313 A C -0.600 177.122 177.584 0.229 0.000 1.120 313 A CA -0.574 51.546 52.037 0.137 0.000 0.900 313 A CB 1.446 20.433 19.000 -0.022 0.000 1.319 313 A HN 0.536 nan 8.150 nan 0.000 0.494 314 I N 0.245 120.912 120.570 0.162 0.000 2.644 314 I HA 0.314 4.602 4.170 0.197 0.000 0.291 314 I C -0.534 175.616 176.117 0.056 0.000 1.180 314 I CA -0.339 61.044 61.300 0.138 0.000 1.040 314 I CB 1.925 39.981 38.000 0.092 0.000 1.255 314 I HN 0.827 nan 8.210 nan 0.000 0.422 315 K N 6.996 127.417 120.400 0.034 0.000 2.253 315 K HA 0.583 5.021 4.320 0.197 0.000 0.277 315 K C -1.365 175.219 176.600 -0.028 0.000 1.053 315 K CA -0.431 55.852 56.287 -0.007 0.000 0.892 315 K CB 0.846 33.345 32.500 -0.002 0.000 1.102 315 K HN 0.558 nan 8.250 nan 0.000 0.469 316 L N 7.393 128.594 121.223 -0.038 0.000 2.335 316 L HA 0.342 4.800 4.340 0.197 0.000 0.268 316 L C -2.263 174.611 176.870 0.008 0.000 1.037 316 L CA -2.403 52.340 54.840 -0.162 0.000 0.895 316 L CB 1.322 43.182 42.059 -0.333 0.000 1.266 316 L HN 0.489 nan 8.230 nan 0.000 0.439 317 P HA -0.024 nan 4.420 nan 0.000 0.262 317 P C -0.095 177.359 177.300 0.258 0.000 1.182 317 P CA 0.157 63.334 63.100 0.128 0.000 0.761 317 P CB 0.305 32.058 31.700 0.089 0.000 0.795 318 K N 0.922 121.441 120.400 0.200 0.000 3.088 318 K HA -0.223 4.215 4.320 0.197 0.000 0.273 318 K C 0.023 176.751 176.600 0.213 0.000 1.111 318 K CA 0.454 56.844 56.287 0.173 0.000 0.803 318 K CB -2.005 30.568 32.500 0.122 0.000 1.226 318 K HN 0.380 nan 8.250 nan 0.000 0.485 319 F N 0.944 120.916 119.950 0.036 0.000 2.639 319 F HA 0.166 4.811 4.527 0.197 0.000 0.300 319 F C 1.129 176.940 175.800 0.018 0.000 1.109 319 F CA -0.391 57.632 58.000 0.038 0.000 1.335 319 F CB 0.325 39.370 39.000 0.075 0.000 1.014 319 F HN -0.040 nan 8.300 nan 0.000 0.537 320 R N -0.471 120.110 120.500 0.135 0.000 2.438 320 R HA 0.388 4.846 4.340 0.197 0.000 0.287 320 R C 1.373 177.688 176.300 0.026 0.000 1.077 320 R CA 0.946 57.093 56.100 0.078 0.000 1.034 320 R CB 0.382 30.724 30.300 0.069 0.000 0.993 320 R HN 0.428 nan 8.270 nan 0.000 0.459 321 G N 2.910 111.725 108.800 0.024 0.000 2.189 321 G HA2 -0.283 3.795 3.960 0.197 0.000 0.267 321 G HA3 -0.283 3.795 3.960 0.197 0.000 0.267 321 G C 0.455 175.332 174.900 -0.039 0.000 0.975 321 G CA 0.558 45.659 45.100 0.001 0.000 0.644 321 G HN 0.577 nan 8.290 nan 0.000 0.537 322 L N -0.585 120.598 121.223 -0.067 0.000 2.575 322 L HA 0.397 4.855 4.340 0.197 0.000 0.228 322 L C 2.620 179.387 176.870 -0.171 0.000 1.075 322 L CA 0.186 54.939 54.840 -0.145 0.000 0.867 322 L CB -0.066 41.834 42.059 -0.265 0.000 1.097 322 L HN 0.273 nan 8.230 nan 0.000 0.485 323 I N 0.045 120.529 120.570 -0.142 0.000 2.500 323 I HA -0.065 4.223 4.170 0.197 0.000 0.252 323 I C 2.262 178.159 176.117 -0.366 0.000 1.142 323 I CA 1.295 62.385 61.300 -0.350 0.000 1.451 323 I CB -0.392 37.357 38.000 -0.418 0.000 1.093 323 I HN 0.223 nan 8.210 nan 0.000 0.430 324 G N 0.738 109.468 108.800 -0.116 0.000 2.880 324 G HA2 -0.033 4.045 3.960 0.197 0.000 0.209 324 G HA3 -0.033 4.045 3.960 0.197 0.000 0.209 324 G C 0.878 175.765 174.900 -0.022 0.000 1.157 324 G CA -0.386 44.733 45.100 0.031 0.000 0.779 324 G HN 0.173 nan 8.290 nan 0.000 0.539 325 R N 1.237 121.693 120.500 -0.072 0.000 2.537 325 R HA 0.166 4.624 4.340 0.197 0.000 0.280 325 R C -0.205 176.055 176.300 -0.066 0.000 1.058 325 R CA -0.249 55.814 56.100 -0.062 0.000 1.057 325 R CB 0.356 30.608 30.300 -0.080 0.000 0.973 325 R HN 0.199 nan 8.270 nan 0.000 0.438 326 E N 3.971 124.149 120.200 -0.037 0.000 2.338 326 E HA 0.021 4.489 4.350 0.197 0.000 0.272 326 E C 0.774 177.355 176.600 -0.032 0.000 1.029 326 E CA -0.101 56.282 56.400 -0.028 0.000 0.872 326 E CB 0.668 30.363 29.700 -0.007 0.000 1.015 326 E HN 0.697 nan 8.360 nan 0.000 0.417 327 I N 0.048 120.598 120.570 -0.034 0.000 4.139 327 I HA 0.228 4.516 4.170 0.197 0.000 0.320 327 I C 0.250 176.363 176.117 -0.006 0.000 1.290 327 I CA -0.239 61.042 61.300 -0.031 0.000 1.253 327 I CB 0.417 38.388 38.000 -0.048 0.000 1.122 327 I HN 0.295 nan 8.210 nan 0.000 0.421 328 Q N 1.072 120.873 119.800 0.002 0.000 2.377 328 Q HA 0.444 4.902 4.340 0.197 0.000 0.279 328 Q C -2.772 173.240 176.000 0.019 0.000 1.049 328 Q CA -2.064 53.752 55.803 0.020 0.000 0.825 328 Q CB 2.530 31.278 28.738 0.017 0.000 1.401 328 Q HN -0.146 nan 8.270 nan 0.000 0.404 329 P HA -0.107 nan 4.420 nan 0.000 0.255 329 P C 0.511 177.821 177.300 0.017 0.000 1.161 329 P CA 1.832 64.945 63.100 0.022 0.000 0.768 329 P CB -0.007 31.707 31.700 0.024 0.000 0.746 330 G N 2.839 111.648 108.800 0.014 0.000 2.179 330 G HA2 -0.269 3.809 3.960 0.197 0.000 0.260 330 G HA3 -0.269 3.809 3.960 0.197 0.000 0.260 330 G C 0.088 174.995 174.900 0.012 0.000 0.977 330 G CA -0.357 44.752 45.100 0.015 0.000 0.641 330 G HN 0.565 nan 8.290 nan 0.000 0.533 331 R N -0.305 120.198 120.500 0.005 0.000 2.621 331 R HA 0.726 5.185 4.340 0.197 0.000 0.292 331 R C 0.008 176.294 176.300 -0.024 0.000 0.969 331 R CA -0.861 55.236 56.100 -0.005 0.000 0.887 331 R CB 1.618 31.916 30.300 -0.004 0.000 1.180 331 R HN 0.259 nan 8.270 nan 0.000 0.450 332 R N 0.943 121.416 120.500 -0.044 0.000 2.902 332 R HA 0.267 4.725 4.340 0.197 0.000 0.258 332 R C 0.862 177.058 176.300 -0.173 0.000 1.071 332 R CA -0.942 55.105 56.100 -0.088 0.000 1.024 332 R CB 0.774 31.037 30.300 -0.062 0.000 1.184 332 R HN 0.310 nan 8.270 nan 0.000 0.492 333 L N 1.431 122.501 121.223 -0.256 0.000 2.081 333 L HA -0.103 4.355 4.340 0.197 0.000 0.212 333 L C 1.804 178.265 176.870 -0.682 0.000 1.080 333 L CA 2.455 57.050 54.840 -0.408 0.000 0.754 333 L CB -0.924 40.870 42.059 -0.442 0.000 0.893 333 L HN 0.942 nan 8.230 nan 0.000 0.433 334 G N -2.472 105.923 108.800 -0.674 0.000 2.470 334 G HA2 -0.218 3.860 3.960 0.197 0.000 0.220 334 G HA3 -0.218 3.860 3.960 0.197 0.000 0.220 334 G C 1.384 176.156 174.900 -0.212 0.000 1.121 334 G CA 1.074 45.794 45.100 -0.633 0.000 0.766 334 G HN 0.464 nan 8.290 nan 0.000 0.553 335 T N 0.752 115.218 114.554 -0.147 0.000 2.951 335 T HA -0.007 4.461 4.350 0.197 0.000 0.268 335 T C 2.157 176.851 174.700 -0.010 0.000 1.073 335 T CA 1.017 63.092 62.100 -0.042 0.000 1.134 335 T CB 0.027 68.879 68.868 -0.028 0.000 0.884 335 T HN 0.245 nan 8.240 nan 0.000 0.479 336 E N 0.885 121.055 120.200 -0.050 0.000 2.046 336 E HA 0.026 4.494 4.350 0.197 0.000 0.190 336 E C 1.985 178.675 176.600 0.150 0.000 0.982 336 E CA 0.771 57.189 56.400 0.029 0.000 0.800 336 E CB -0.467 29.233 29.700 -0.001 0.000 0.756 336 E HN 0.569 nan 8.360 nan 0.000 0.449 337 F N 1.485 121.411 119.950 -0.040 0.000 2.025 337 F HA -0.292 4.353 4.527 0.197 0.000 0.297 337 F C 2.683 178.465 175.800 -0.029 0.000 1.132 337 F CA 0.621 58.597 58.000 -0.040 0.000 1.191 337 F CB -0.387 38.590 39.000 -0.038 0.000 0.963 337 F HN 0.066 nan 8.300 nan 0.000 0.481 338 A N 0.144 123.087 122.820 0.205 0.000 1.892 338 A HA -0.284 4.154 4.320 0.197 0.000 0.218 338 A C 1.757 179.385 177.584 0.073 0.000 1.188 338 A CA 2.330 54.426 52.037 0.098 0.000 0.631 338 A CB -1.013 18.014 19.000 0.045 0.000 0.822 338 A HN 0.340 nan 8.150 nan 0.000 0.447 339 D N -0.674 119.773 120.400 0.080 0.000 2.103 339 D HA -0.165 4.594 4.640 0.197 0.000 0.190 339 D C 2.236 178.591 176.300 0.092 0.000 0.997 339 D CA 1.320 55.381 54.000 0.101 0.000 0.833 339 D CB -0.252 40.628 40.800 0.135 0.000 0.961 339 D HN 0.254 nan 8.370 nan 0.000 0.447 340 R N 0.488 120.976 120.500 -0.019 0.000 2.081 340 R HA -0.010 4.448 4.340 0.197 0.000 0.235 340 R C 2.196 178.487 176.300 -0.014 0.000 1.131 340 R CA 1.056 57.073 56.100 -0.138 0.000 0.960 340 R CB -0.985 29.180 30.300 -0.224 0.000 0.856 340 R HN 0.173 nan 8.270 nan 0.000 0.436 341 A N 1.599 124.438 122.820 0.032 0.000 1.972 341 A HA -0.182 4.256 4.320 0.197 0.000 0.219 341 A C 2.125 179.748 177.584 0.065 0.000 1.169 341 A CA 1.525 53.605 52.037 0.072 0.000 0.635 341 A CB -0.457 18.586 19.000 0.072 0.000 0.810 341 A HN 0.300 nan 8.150 nan 0.000 0.446 342 K N 0.278 120.703 120.400 0.043 0.000 2.362 342 K HA -0.214 4.224 4.320 0.197 0.000 0.202 342 K C 1.892 178.478 176.600 -0.024 0.000 1.045 342 K CA 1.678 57.979 56.287 0.024 0.000 0.936 342 K CB -0.183 32.339 32.500 0.037 0.000 0.747 342 K HN 0.532 nan 8.250 nan 0.000 0.467 343 K N -0.579 119.769 120.400 -0.086 0.000 2.280 343 K HA -0.175 4.264 4.320 0.197 0.000 0.202 343 K C 0.591 176.904 176.600 -0.478 0.000 1.047 343 K CA 1.466 57.566 56.287 -0.311 0.000 0.942 343 K CB 0.091 32.301 32.500 -0.484 0.000 0.739 343 K HN 0.313 nan 8.250 nan 0.000 0.457 344 Y N -1.743 118.563 120.300 0.010 0.000 2.435 344 Y HA 0.256 4.925 4.550 0.197 0.000 0.270 344 Y C -0.233 175.662 175.900 -0.009 0.000 1.093 344 Y CA -0.763 57.334 58.100 -0.005 0.000 1.226 344 Y CB 1.674 40.123 38.460 -0.017 0.000 1.289 344 Y HN -0.271 nan 8.280 nan 0.000 0.529 345 V N 0.792 120.782 119.914 0.128 0.000 2.808 345 V HA 0.232 4.470 4.120 0.197 0.000 0.308 345 V C -1.887 174.225 176.094 0.031 0.000 1.099 345 V CA -1.711 60.633 62.300 0.072 0.000 0.920 345 V CB 2.331 34.197 31.823 0.072 0.000 1.014 345 V HN -0.166 nan 8.190 nan 0.000 0.425 346 P HA -0.017 nan 4.420 nan 0.000 0.217 346 P C 0.520 177.794 177.300 -0.043 0.000 1.148 346 P CA 1.647 64.740 63.100 -0.011 0.000 0.834 346 P CB 0.204 31.899 31.700 -0.008 0.000 0.783 347 G N -1.678 107.086 108.800 -0.059 0.000 2.441 347 G HA2 0.551 4.629 3.960 0.197 0.000 0.294 347 G HA3 0.551 4.629 3.960 0.197 0.000 0.294 347 G C -1.950 172.864 174.900 -0.143 0.000 1.393 347 G CA -0.531 44.488 45.100 -0.135 0.000 0.796 347 G HN 0.158 nan 8.290 nan 0.000 0.494 348 I N -3.163 117.263 120.570 -0.241 0.000 3.102 348 I HA 0.869 5.157 4.170 0.197 0.000 0.310 348 I C -1.824 174.114 176.117 -0.300 0.000 1.246 348 I CA -1.408 59.822 61.300 -0.117 0.000 0.979 348 I CB 2.447 40.485 38.000 0.063 0.000 1.267 348 I HN 0.339 nan 8.210 nan 0.000 0.451 349 F N 2.585 122.556 119.950 0.035 0.000 2.508 349 F HA 0.654 5.299 4.527 0.197 0.000 0.325 349 F C 0.061 175.930 175.800 0.116 0.000 1.090 349 F CA -0.336 57.672 58.000 0.013 0.000 0.945 349 F CB 1.594 40.617 39.000 0.038 0.000 1.156 349 F HN 0.602 nan 8.300 nan 0.000 0.463 350 H N 1.997 121.170 119.070 0.172 0.000 2.930 350 H HA 0.394 5.069 4.556 0.197 0.000 0.371 350 H C 0.645 175.850 175.328 -0.205 0.000 1.169 350 H CA -0.786 55.249 56.048 -0.022 0.000 1.157 350 H CB 1.672 31.452 29.762 0.030 0.000 1.789 350 H HN 0.758 nan 8.280 nan 0.000 0.547 351 I N 0.936 121.168 120.570 -0.563 0.000 2.236 351 I HA -0.332 3.956 4.170 0.197 0.000 0.249 351 I C 1.109 177.149 176.117 -0.128 0.000 1.102 351 I CA 1.774 62.706 61.300 -0.613 0.000 1.365 351 I CB -0.067 37.452 38.000 -0.802 0.000 1.051 351 I HN 0.595 nan 8.210 nan 0.000 0.420 352 D N 0.390 120.874 120.400 0.140 0.000 2.183 352 D HA -0.191 4.567 4.640 0.197 0.000 0.203 352 D C 1.854 178.163 176.300 0.015 0.000 0.969 352 D CA 1.479 55.561 54.000 0.136 0.000 0.842 352 D CB -0.146 40.815 40.800 0.269 0.000 0.957 352 D HN 0.693 nan 8.370 nan 0.000 0.484 353 E N 0.403 120.439 120.200 -0.273 0.000 2.489 353 E HA 0.027 4.496 4.350 0.197 0.000 0.193 353 E C 0.318 176.947 176.600 0.048 0.000 1.057 353 E CA 0.144 56.456 56.400 -0.146 0.000 0.866 353 E CB -0.073 29.435 29.700 -0.321 0.000 0.916 353 E HN 0.176 nan 8.360 nan 0.000 0.500 354 L N -3.232 118.017 121.223 0.044 0.000 2.303 354 L HA 0.664 5.122 4.340 0.197 0.000 0.256 354 L C -2.858 174.061 176.870 0.082 0.000 1.034 354 L CA -3.202 51.707 54.840 0.115 0.000 0.832 354 L CB -0.175 42.038 42.059 0.257 0.000 1.403 354 L HN -0.340 nan 8.230 nan 0.000 0.419 355 P HA 0.150 nan 4.420 nan 0.000 0.262 355 P C -0.908 176.381 177.300 -0.018 0.000 1.151 355 P CA 0.918 64.046 63.100 0.047 0.000 0.757 355 P CB 0.012 31.722 31.700 0.017 0.000 0.754 356 N N 0.512 119.198 118.700 -0.024 0.000 4.387 356 N HA 0.076 4.934 4.740 0.197 0.000 0.221 356 N C -1.049 174.379 175.510 -0.135 0.000 1.261 356 N CA -0.725 52.147 53.050 -0.295 0.000 0.772 356 N CB -0.104 37.945 38.487 -0.729 0.000 1.524 356 N HN 0.320 nan 8.380 nan 0.000 0.440 357 Y N -0.495 119.872 120.300 0.111 0.000 4.469 357 Y HA -0.232 4.436 4.550 0.197 0.000 0.220 357 Y C 1.284 177.265 175.900 0.135 0.000 1.078 357 Y CA 1.462 59.651 58.100 0.149 0.000 1.881 357 Y CB -2.046 36.575 38.460 0.267 0.000 1.608 357 Y HN 1.045 nan 8.280 nan 0.000 0.634 358 G N -0.702 108.182 108.800 0.139 0.000 2.179 358 G HA2 -0.264 3.814 3.960 0.197 0.000 0.220 358 G HA3 -0.264 3.814 3.960 0.197 0.000 0.220 358 G C -0.040 174.917 174.900 0.094 0.000 0.990 358 G CA -0.176 44.987 45.100 0.105 0.000 0.646 358 G HN 0.457 nan 8.290 nan 0.000 0.517 359 I N 3.042 123.688 120.570 0.127 0.000 2.304 359 I HA 0.380 4.668 4.170 0.197 0.000 0.291 359 I C 1.135 177.280 176.117 0.048 0.000 1.018 359 I CA -0.267 61.094 61.300 0.102 0.000 1.260 359 I CB 1.371 39.488 38.000 0.195 0.000 1.390 359 I HN 0.330 nan 8.210 nan 0.000 0.475 360 S N 5.281 120.974 115.700 -0.013 0.000 2.603 360 S HA 0.161 4.750 4.470 0.197 0.000 0.268 360 S C 0.872 175.460 174.600 -0.020 0.000 1.317 360 S CA -0.677 57.509 58.200 -0.024 0.000 1.012 360 S CB 1.662 64.832 63.200 -0.050 0.000 0.926 360 S HN 0.552 nan 8.310 nan 0.000 0.539 361 Q N 1.205 121.000 119.800 -0.008 0.000 2.181 361 Q HA -0.171 4.287 4.340 0.197 0.000 0.205 361 Q C 1.962 177.949 176.000 -0.021 0.000 0.980 361 Q CA 2.037 57.842 55.803 0.004 0.000 0.862 361 Q CB -0.499 28.241 28.738 0.004 0.000 0.905 361 Q HN 0.914 nan 8.270 nan 0.000 0.429 362 E N 0.579 120.749 120.200 -0.050 0.000 2.023 362 E HA -0.211 4.258 4.350 0.197 0.000 0.196 362 E C 1.954 178.478 176.600 -0.126 0.000 1.003 362 E CA 1.219 57.573 56.400 -0.077 0.000 0.809 362 E CB -0.260 29.388 29.700 -0.086 0.000 0.755 362 E HN 0.438 nan 8.360 nan 0.000 0.449 363 E N 0.799 120.883 120.200 -0.192 0.000 2.097 363 E HA -0.196 4.272 4.350 0.197 0.000 0.196 363 E C 2.257 178.724 176.600 -0.222 0.000 1.000 363 E CA 1.414 57.599 56.400 -0.358 0.000 0.804 363 E CB -0.106 29.276 29.700 -0.531 0.000 0.740 363 E HN 0.060 nan 8.360 nan 0.000 0.454 364 V N 1.683 121.562 119.914 -0.058 0.000 2.295 364 V HA -0.259 3.979 4.120 0.197 0.000 0.246 364 V C 1.667 177.776 176.094 0.026 0.000 1.049 364 V CA 2.027 64.373 62.300 0.076 0.000 1.024 364 V CB -0.513 31.412 31.823 0.170 0.000 0.648 364 V HN 0.248 nan 8.190 nan 0.000 0.447 365 N N -0.087 118.613 118.700 -0.000 0.000 2.188 365 N HA -0.106 4.752 4.740 0.197 0.000 0.184 365 N C 1.766 177.245 175.510 -0.051 0.000 1.018 365 N CA 0.781 53.827 53.050 -0.006 0.000 0.858 365 N CB -0.306 38.177 38.487 -0.006 0.000 0.989 365 N HN 0.259 nan 8.380 nan 0.000 0.426 366 K N 0.450 120.796 120.400 -0.091 0.000 2.152 366 K HA 0.007 4.445 4.320 0.197 0.000 0.206 366 K C 1.746 178.270 176.600 -0.127 0.000 1.048 366 K CA 0.486 56.709 56.287 -0.107 0.000 0.933 366 K CB -0.421 31.993 32.500 -0.144 0.000 0.721 366 K HN 0.103 nan 8.250 nan 0.000 0.447 367 V N 1.251 121.051 119.914 -0.190 0.000 2.446 367 V HA -0.108 4.130 4.120 0.197 0.000 0.244 367 V C 2.261 178.182 176.094 -0.290 0.000 1.039 367 V CA 0.912 63.025 62.300 -0.313 0.000 1.045 367 V CB -0.229 31.216 31.823 -0.630 0.000 0.681 367 V HN 0.184 nan 8.190 nan 0.000 0.459 368 I N 0.110 120.581 120.570 -0.165 0.000 2.335 368 I HA -0.287 4.001 4.170 0.197 0.000 0.251 368 I C 2.482 178.575 176.117 -0.040 0.000 1.129 368 I CA 1.763 63.048 61.300 -0.026 0.000 1.402 368 I CB -0.185 37.857 38.000 0.069 0.000 1.069 368 I HN 0.468 nan 8.210 nan 0.000 0.424 369 E N 0.984 121.152 120.200 -0.054 0.000 2.014 369 E HA -0.207 4.261 4.350 0.197 0.000 0.190 369 E C 2.285 178.866 176.600 -0.032 0.000 0.980 369 E CA 0.545 56.926 56.400 -0.031 0.000 0.807 369 E CB -0.018 29.665 29.700 -0.028 0.000 0.770 369 E HN 0.186 nan 8.360 nan 0.000 0.451 370 R N 0.191 120.663 120.500 -0.047 0.000 2.303 370 R HA -0.079 4.380 4.340 0.197 0.000 0.225 370 R C 1.502 177.800 176.300 -0.004 0.000 1.114 370 R CA 0.681 56.779 56.100 -0.003 0.000 1.007 370 R CB 0.078 30.383 30.300 0.008 0.000 0.861 370 R HN 0.257 nan 8.270 nan 0.000 0.471 371 L N -0.369 120.769 121.223 -0.143 0.000 2.731 371 L HA 0.081 4.540 4.340 0.197 0.000 0.240 371 L C 0.300 177.126 176.870 -0.073 0.000 1.120 371 L CA -0.065 54.591 54.840 -0.307 0.000 0.913 371 L CB -0.146 41.586 42.059 -0.545 0.000 1.213 371 L HN 0.319 nan 8.230 nan 0.000 0.515 372 N N 2.068 120.757 118.700 -0.019 0.000 2.641 372 N HA -0.177 4.681 4.740 0.197 0.000 0.267 372 N C -0.703 174.820 175.510 0.022 0.000 1.087 372 N CA 0.420 53.481 53.050 0.018 0.000 0.731 372 N CB -0.814 37.702 38.487 0.048 0.000 0.886 372 N HN 0.271 nan 8.380 nan 0.000 0.547 373 L N 1.186 122.424 121.223 0.024 0.000 2.343 373 L HA 0.392 4.850 4.340 0.197 0.000 0.275 373 L C 1.249 178.152 176.870 0.055 0.000 1.056 373 L CA -0.711 54.159 54.840 0.050 0.000 0.804 373 L CB 1.619 43.731 42.059 0.088 0.000 1.203 373 L HN 0.144 nan 8.230 nan 0.000 0.440 374 S N 0.151 115.886 115.700 0.059 0.000 2.607 374 S HA 0.152 4.740 4.470 0.197 0.000 0.272 374 S C 0.829 175.464 174.600 0.058 0.000 1.166 374 S CA -0.696 57.535 58.200 0.052 0.000 1.021 374 S CB 0.752 63.981 63.200 0.049 0.000 1.113 374 S HN 0.609 nan 8.310 nan 0.000 0.531 375 E N 0.254 120.484 120.200 0.049 0.000 2.481 375 E HA -0.006 4.462 4.350 0.197 0.000 0.195 375 E C 1.128 177.760 176.600 0.052 0.000 1.047 375 E CA 0.374 56.803 56.400 0.049 0.000 0.867 375 E CB 0.118 29.840 29.700 0.037 0.000 0.858 375 E HN 0.485 nan 8.360 nan 0.000 0.513 376 E N 0.387 120.621 120.200 0.057 0.000 2.340 376 E HA 0.002 4.470 4.350 0.197 0.000 0.198 376 E C -0.062 176.593 176.600 0.092 0.000 0.961 376 E CA 0.019 56.456 56.400 0.063 0.000 0.905 376 E CB 0.466 30.199 29.700 0.055 0.000 0.884 376 E HN 0.161 nan 8.360 nan 0.000 0.491 377 D N 0.924 121.381 120.400 0.096 0.000 2.362 377 D HA 0.346 5.104 4.640 0.197 0.000 0.242 377 D C -0.192 176.185 176.300 0.128 0.000 1.132 377 D CA 0.237 54.307 54.000 0.117 0.000 0.907 377 D CB 1.551 42.408 40.800 0.094 0.000 1.195 377 D HN 0.037 nan 8.370 nan 0.000 0.429 378 A N 0.680 123.585 122.820 0.142 0.000 2.483 378 A HA 0.799 5.237 4.320 0.197 0.000 0.286 378 A C -1.193 176.484 177.584 0.154 0.000 1.207 378 A CA -0.775 51.332 52.037 0.116 0.000 0.764 378 A CB 1.304 20.364 19.000 0.099 0.000 1.341 378 A HN 0.498 nan 8.150 nan 0.000 0.428 379 F N -1.999 118.004 119.950 0.089 0.000 2.675 379 F HA 0.877 5.522 4.527 0.197 0.000 0.324 379 F C -1.192 174.685 175.800 0.128 0.000 1.106 379 F CA -1.397 56.634 58.000 0.051 0.000 0.970 379 F CB 1.416 40.418 39.000 0.003 0.000 1.385 379 F HN 0.377 nan 8.300 nan 0.000 0.489 380 V N 2.842 122.998 119.914 0.403 0.000 2.655 380 V HA 0.402 4.640 4.120 0.197 0.000 0.301 380 V C -0.505 175.805 176.094 0.359 0.000 1.082 380 V CA -0.694 61.800 62.300 0.324 0.000 0.899 380 V CB 1.610 33.547 31.823 0.190 0.000 1.014 380 V HN 0.811 nan 8.190 nan 0.000 0.429 381 L N 4.226 125.683 121.223 0.390 0.000 2.400 381 L HA 0.857 5.316 4.340 0.197 0.000 0.264 381 L C -0.741 176.270 176.870 0.234 0.000 1.061 381 L CA -1.017 53.976 54.840 0.256 0.000 0.799 381 L CB 1.905 44.060 42.059 0.160 0.000 1.240 381 L HN 0.361 nan 8.230 nan 0.000 0.461 382 V N 0.231 120.223 119.914 0.131 0.000 2.789 382 V HA 0.496 4.735 4.120 0.197 0.000 0.300 382 V C -0.781 175.330 176.094 0.029 0.000 1.184 382 V CA -0.559 61.811 62.300 0.116 0.000 0.930 382 V CB 1.938 33.798 31.823 0.062 0.000 1.041 382 V HN 0.848 nan 8.190 nan 0.000 0.430 383 A N 3.668 126.524 122.820 0.061 0.000 2.293 383 A HA 1.028 5.466 4.320 0.197 0.000 0.312 383 A C -0.049 177.541 177.584 0.010 0.000 1.309 383 A CA 0.378 52.408 52.037 -0.013 0.000 0.839 383 A CB 1.102 20.088 19.000 -0.023 0.000 1.155 383 A HN 1.936 nan 8.150 nan 0.000 0.501 384 A N 1.390 124.198 122.820 -0.020 0.000 2.483 384 A HA 0.658 5.096 4.320 0.197 0.000 0.306 384 A C -0.524 177.038 177.584 -0.036 0.000 1.137 384 A CA -0.530 51.497 52.037 -0.016 0.000 0.626 384 A CB 0.184 19.180 19.000 -0.007 0.000 1.352 384 A HN 0.757 nan 8.150 nan 0.000 0.508 385 E N 0.345 120.524 120.200 -0.034 0.000 2.437 385 E HA -0.027 4.441 4.350 0.197 0.000 0.263 385 E C 0.798 177.353 176.600 -0.076 0.000 1.030 385 E CA 0.448 56.820 56.400 -0.046 0.000 0.934 385 E CB 0.686 30.363 29.700 -0.039 0.000 0.943 385 E HN 0.670 nan 8.360 nan 0.000 0.444 386 E N 2.693 122.845 120.200 -0.081 0.000 2.086 386 E HA -0.288 4.180 4.350 0.197 0.000 0.205 386 E C 1.281 177.776 176.600 -0.174 0.000 1.027 386 E CA 1.640 57.971 56.400 -0.116 0.000 0.830 386 E CB 0.195 29.839 29.700 -0.093 0.000 0.751 386 E HN 0.467 nan 8.360 nan 0.000 0.456 387 E N 0.521 120.629 120.200 -0.153 0.000 2.028 387 E HA -0.150 4.318 4.350 0.197 0.000 0.191 387 E C 2.073 178.530 176.600 -0.238 0.000 0.988 387 E CA 1.006 57.289 56.400 -0.196 0.000 0.799 387 E CB -0.220 29.394 29.700 -0.143 0.000 0.755 387 E HN 0.260 nan 8.360 nan 0.000 0.447 388 K N 0.676 120.977 120.400 -0.165 0.000 2.059 388 K HA -0.172 4.266 4.320 0.197 0.000 0.212 388 K C 2.175 178.672 176.600 -0.171 0.000 1.050 388 K CA 1.515 57.716 56.287 -0.143 0.000 0.927 388 K CB -0.284 32.194 32.500 -0.037 0.000 0.714 388 K HN 0.078 nan 8.250 nan 0.000 0.447 389 A N 1.816 124.543 122.820 -0.155 0.000 1.917 389 A HA -0.252 4.186 4.320 0.197 0.000 0.219 389 A C 1.966 179.390 177.584 -0.267 0.000 1.182 389 A CA 1.796 53.740 52.037 -0.154 0.000 0.633 389 A CB -0.364 18.553 19.000 -0.138 0.000 0.819 389 A HN 0.241 nan 8.150 nan 0.000 0.448 390 K N -0.519 119.616 120.400 -0.442 0.000 2.001 390 K HA -0.110 4.329 4.320 0.197 0.000 0.208 390 K C 1.883 178.202 176.600 -0.467 0.000 1.048 390 K CA 1.281 57.108 56.287 -0.766 0.000 0.932 390 K CB -0.292 31.660 32.500 -0.914 0.000 0.715 390 K HN 0.422 nan 8.250 nan 0.000 0.437 391 N N 0.910 119.327 118.700 -0.473 0.000 2.137 391 N HA -0.196 4.662 4.740 0.197 0.000 0.190 391 N C 1.731 177.061 175.510 -0.299 0.000 1.017 391 N CA 1.483 54.164 53.050 -0.615 0.000 0.859 391 N CB -0.189 37.425 38.487 -1.456 0.000 1.002 391 N HN 0.219 nan 8.380 nan 0.000 0.428 392 A N 1.243 123.983 122.820 -0.133 0.000 1.873 392 A HA -0.015 4.423 4.320 0.197 0.000 0.215 392 A C 2.380 179.992 177.584 0.047 0.000 1.186 392 A CA 0.777 52.868 52.037 0.091 0.000 0.616 392 A CB -0.707 18.340 19.000 0.079 0.000 0.823 392 A HN 0.195 nan 8.150 nan 0.000 0.442 393 L N -0.751 120.478 121.223 0.010 0.000 2.265 393 L HA -0.160 4.298 4.340 0.197 0.000 0.215 393 L C 2.812 179.754 176.870 0.120 0.000 1.117 393 L CA 0.792 55.683 54.840 0.084 0.000 0.782 393 L CB -0.401 41.766 42.059 0.181 0.000 0.914 393 L HN 0.351 nan 8.230 nan 0.000 0.441 394 R N -0.250 120.320 120.500 0.116 0.000 2.055 394 R HA -0.100 4.358 4.340 0.197 0.000 0.228 394 R C 2.106 178.428 176.300 0.036 0.000 1.143 394 R CA 0.923 57.090 56.100 0.111 0.000 0.945 394 R CB -0.379 29.969 30.300 0.081 0.000 0.841 394 R HN 0.278 nan 8.270 nan 0.000 0.429 395 E N 0.761 120.999 120.200 0.063 0.000 2.130 395 E HA -0.150 4.318 4.350 0.197 0.000 0.196 395 E C 2.116 178.681 176.600 -0.059 0.000 0.998 395 E CA 1.079 57.505 56.400 0.044 0.000 0.806 395 E CB -0.176 29.602 29.700 0.130 0.000 0.738 395 E HN 0.118 nan 8.360 nan 0.000 0.459 396 V N 1.142 121.001 119.914 -0.092 0.000 2.379 396 V HA -0.199 4.039 4.120 0.197 0.000 0.245 396 V C 2.393 178.242 176.094 -0.408 0.000 1.044 396 V CA 1.164 63.298 62.300 -0.276 0.000 1.036 396 V CB -0.373 31.295 31.823 -0.258 0.000 0.664 396 V HN 0.189 nan 8.190 nan 0.000 0.453 397 I N 0.044 120.470 120.570 -0.240 0.000 2.179 397 I HA -0.276 4.012 4.170 0.197 0.000 0.242 397 I C 2.604 178.606 176.117 -0.192 0.000 1.088 397 I CA 1.848 63.008 61.300 -0.234 0.000 1.357 397 I CB -0.451 37.472 38.000 -0.128 0.000 1.051 397 I HN 0.276 nan 8.210 nan 0.000 0.409 398 K N 0.744 121.071 120.400 -0.121 0.000 2.074 398 K HA -0.260 4.178 4.320 0.197 0.000 0.209 398 K C 2.485 179.033 176.600 -0.087 0.000 1.048 398 K CA 1.486 57.726 56.287 -0.079 0.000 0.926 398 K CB -0.042 32.430 32.500 -0.046 0.000 0.713 398 K HN 0.037 nan 8.250 nan 0.000 0.444 399 R N 0.537 120.959 120.500 -0.131 0.000 2.066 399 R HA -0.007 4.451 4.340 0.197 0.000 0.232 399 R C 2.123 178.421 176.300 -0.003 0.000 1.131 399 R CA 1.604 57.667 56.100 -0.061 0.000 0.955 399 R CB -0.962 29.319 30.300 -0.031 0.000 0.851 399 R HN 0.355 nan 8.270 nan 0.000 0.432 400 A N 0.725 123.384 122.820 -0.269 0.000 1.978 400 A HA -0.167 4.271 4.320 0.197 0.000 0.220 400 A C 2.301 179.916 177.584 0.053 0.000 1.170 400 A CA 1.447 53.399 52.037 -0.142 0.000 0.636 400 A CB -0.361 18.231 19.000 -0.680 0.000 0.810 400 A HN 0.292 nan 8.150 nan 0.000 0.448 401 R N -0.662 119.814 120.500 -0.039 0.000 2.061 401 R HA -0.096 4.363 4.340 0.197 0.000 0.230 401 R C 2.178 178.523 176.300 0.074 0.000 1.140 401 R CA 1.573 57.683 56.100 0.017 0.000 0.940 401 R CB -0.375 29.910 30.300 -0.026 0.000 0.839 401 R HN 0.641 nan 8.270 nan 0.000 0.429 402 E N 0.231 120.464 120.200 0.054 0.000 2.187 402 E HA -0.245 4.223 4.350 0.197 0.000 0.199 402 E C 1.878 178.537 176.600 0.097 0.000 1.004 402 E CA 1.275 57.712 56.400 0.062 0.000 0.813 402 E CB -0.110 29.616 29.700 0.043 0.000 0.736 402 E HN 0.396 nan 8.360 nan 0.000 0.468 403 A N 0.698 123.618 122.820 0.167 0.000 1.972 403 A HA -0.162 4.276 4.320 0.197 0.000 0.219 403 A C 2.077 179.744 177.584 0.138 0.000 1.169 403 A CA 1.035 53.188 52.037 0.193 0.000 0.635 403 A CB -0.433 18.789 19.000 0.369 0.000 0.810 403 A HN 0.185 nan 8.150 nan 0.000 0.446 404 I N -0.783 119.891 120.570 0.174 0.000 2.617 404 I HA -0.171 4.118 4.170 0.197 0.000 0.256 404 I C 2.320 178.473 176.117 0.060 0.000 1.167 404 I CA 0.991 62.358 61.300 0.112 0.000 1.469 404 I CB -0.341 37.752 38.000 0.155 0.000 1.098 404 I HN 0.415 nan 8.210 nan 0.000 0.436 405 E N 0.836 121.072 120.200 0.060 0.000 2.008 405 E HA 0.093 4.561 4.350 0.197 0.000 0.191 405 E C 1.326 177.940 176.600 0.025 0.000 0.986 405 E CA 1.024 57.446 56.400 0.037 0.000 0.807 405 E CB -0.017 29.704 29.700 0.035 0.000 0.766 405 E HN 0.549 nan 8.360 nan 0.000 0.450 406 G N -0.313 108.504 108.800 0.028 0.000 2.601 406 G HA2 0.036 4.114 3.960 0.197 0.000 0.080 406 G HA3 0.036 4.114 3.960 0.197 0.000 0.080 406 G C -1.383 173.528 174.900 0.018 0.000 1.046 406 G CA -0.443 44.666 45.100 0.014 0.000 1.143 406 G HN 0.026 nan 8.290 nan 0.000 0.507 407 V N 3.188 123.109 119.914 0.011 0.000 2.353 407 V HA 0.431 4.669 4.120 0.197 0.000 0.264 407 V C -2.060 174.048 176.094 0.025 0.000 1.049 407 V CA -0.984 61.324 62.300 0.014 0.000 0.896 407 V CB 0.823 32.648 31.823 0.003 0.000 1.025 407 V HN 0.420 nan 8.190 nan 0.000 0.475 408 P HA 0.137 nan 4.420 nan 0.000 0.267 408 P C -0.059 177.271 177.300 0.049 0.000 1.205 408 P CA -0.062 63.061 63.100 0.039 0.000 0.765 408 P CB 0.478 32.199 31.700 0.035 0.000 0.828 409 E N 3.311 123.540 120.200 0.048 0.000 2.344 409 E HA 0.161 4.630 4.350 0.197 0.000 0.270 409 E C 0.300 176.950 176.600 0.084 0.000 1.021 409 E CA -0.024 56.408 56.400 0.054 0.000 0.887 409 E CB 0.503 30.230 29.700 0.044 0.000 0.997 409 E HN 0.539 nan 8.360 nan 0.000 0.429 410 E N 0.512 120.769 120.200 0.096 0.000 2.439 410 E HA 0.298 4.766 4.350 0.197 0.000 0.279 410 E C -1.216 175.433 176.600 0.082 0.000 1.077 410 E CA -1.005 55.482 56.400 0.144 0.000 0.849 410 E CB 1.187 31.055 29.700 0.280 0.000 1.408 410 E HN 0.350 nan 8.360 nan 0.000 0.457 411 T N -0.173 114.403 114.554 0.037 0.000 2.809 411 T HA 0.579 5.047 4.350 0.197 0.000 0.296 411 T C -0.607 174.046 174.700 -0.078 0.000 1.015 411 T CA -0.732 61.356 62.100 -0.020 0.000 0.954 411 T CB 0.582 69.428 68.868 -0.038 0.000 0.950 411 T HN 0.472 nan 8.240 nan 0.000 0.450 412 R N 2.295 122.774 120.500 -0.035 0.000 2.674 412 R HA 0.737 5.195 4.340 0.197 0.000 0.266 412 R C 0.268 176.539 176.300 -0.048 0.000 1.016 412 R CA -1.200 54.873 56.100 -0.045 0.000 1.062 412 R CB 1.468 31.778 30.300 0.017 0.000 1.142 412 R HN 0.748 nan 8.270 nan 0.000 0.517 413 R N 0.097 120.567 120.500 -0.051 0.000 2.720 413 R HA 0.689 5.147 4.340 0.197 0.000 0.272 413 R C -0.790 175.498 176.300 -0.020 0.000 0.991 413 R CA -0.944 55.133 56.100 -0.039 0.000 1.010 413 R CB 1.196 31.467 30.300 -0.049 0.000 1.141 413 R HN 0.558 nan 8.270 nan 0.000 0.494 414 A N 2.281 125.092 122.820 -0.015 0.000 2.371 414 A HA 0.441 4.880 4.320 0.197 0.000 0.257 414 A C -0.628 176.952 177.584 -0.007 0.000 1.089 414 A CA -0.459 51.573 52.037 -0.009 0.000 0.794 414 A CB 0.336 19.331 19.000 -0.008 0.000 1.029 414 A HN 0.428 nan 8.150 nan 0.000 0.488 415 L N 2.293 123.515 121.223 -0.002 0.000 2.322 415 L HA 0.505 4.963 4.340 0.197 0.000 0.269 415 L C -1.667 175.204 176.870 0.001 0.000 1.012 415 L CA -1.877 52.962 54.840 -0.001 0.000 0.815 415 L CB 1.250 43.311 42.059 0.003 0.000 1.295 415 L HN 0.409 nan 8.230 nan 0.000 0.438 416 P HA -0.053 nan 4.420 nan 0.000 0.228 416 P C 0.176 177.478 177.300 0.004 0.000 1.151 416 P CA 0.899 64.000 63.100 0.002 0.000 0.770 416 P CB 0.381 32.081 31.700 0.001 0.000 0.786 417 D N -1.512 118.892 120.400 0.006 0.000 2.194 417 D HA 0.076 4.834 4.640 0.197 0.000 0.204 417 D C 1.658 177.964 176.300 0.011 0.000 0.964 417 D CA 1.524 55.529 54.000 0.009 0.000 0.846 417 D CB -0.445 40.362 40.800 0.011 0.000 0.962 417 D HN 0.149 nan 8.370 nan 0.000 0.490 418 G N -0.535 108.270 108.800 0.009 0.000 2.184 418 G HA2 -0.210 3.868 3.960 0.197 0.000 0.206 418 G HA3 -0.210 3.868 3.960 0.197 0.000 0.206 418 G C 0.121 175.029 174.900 0.014 0.000 0.995 418 G CA -0.434 44.672 45.100 0.010 0.000 0.651 418 G HN 0.132 nan 8.290 nan 0.000 0.511 419 N N 0.850 119.558 118.700 0.014 0.000 2.458 419 N HA 0.690 5.549 4.740 0.197 0.000 0.271 419 N C 0.475 175.992 175.510 0.012 0.000 1.210 419 N CA 0.706 53.765 53.050 0.015 0.000 0.978 419 N CB 1.130 39.627 38.487 0.016 0.000 1.206 419 N HN 0.409 nan 8.380 nan 0.000 0.536 420 T N -2.127 112.436 114.554 0.015 0.000 2.949 420 T HA 0.589 5.057 4.350 0.197 0.000 0.287 420 T C -0.463 174.252 174.700 0.024 0.000 1.034 420 T CA -0.904 61.205 62.100 0.015 0.000 1.018 420 T CB 2.206 71.084 68.868 0.017 0.000 1.135 420 T HN 0.467 nan 8.240 nan 0.000 0.532 421 E N 0.105 120.320 120.200 0.026 0.000 2.304 421 E HA 0.300 4.768 4.350 0.197 0.000 0.277 421 E C -1.581 175.056 176.600 0.061 0.000 0.898 421 E CA -0.875 55.552 56.400 0.046 0.000 0.764 421 E CB 1.836 31.549 29.700 0.022 0.000 1.216 421 E HN 0.690 nan 8.360 nan 0.000 0.419 422 Y N 4.622 124.925 120.300 0.005 0.000 2.805 422 Y HA -0.074 4.595 4.550 0.197 0.000 0.337 422 Y C 0.521 176.421 175.900 0.000 0.000 1.252 422 Y CA 1.185 59.289 58.100 0.007 0.000 1.515 422 Y CB 0.728 39.197 38.460 0.015 0.000 1.305 422 Y HN 0.755 nan 8.280 nan 0.000 0.600 423 M N 4.767 123.792 119.600 -0.958 0.000 2.583 423 M HA 0.236 4.834 4.480 0.197 0.000 0.217 423 M C -0.466 175.288 176.300 -0.910 0.000 1.655 423 M CA 0.392 55.271 55.300 -0.701 0.000 1.114 423 M CB 0.707 33.108 32.600 -0.332 0.000 1.384 423 M HN 0.823 nan 8.290 nan 0.000 0.562 424 R N -0.088 119.865 120.500 -0.912 0.000 2.764 424 R HA 0.537 4.995 4.340 0.197 0.000 0.276 424 R C -3.278 172.972 176.300 -0.084 0.000 1.021 424 R CA -1.311 54.549 56.100 -0.400 0.000 0.870 424 R CB 0.641 30.835 30.300 -0.175 0.000 1.293 424 R HN -0.121 nan 8.270 nan 0.000 0.469 425 P HA 0.273 nan 4.420 nan 0.000 0.284 425 P C -0.444 176.894 177.300 0.063 0.000 1.258 425 P CA -0.732 62.449 63.100 0.135 0.000 0.824 425 P CB 0.610 32.390 31.700 0.133 0.000 1.038 426 L N 3.085 124.346 121.223 0.064 0.000 2.573 426 L HA 0.034 4.492 4.340 0.197 0.000 0.290 426 L C -1.747 175.145 176.870 0.037 0.000 1.247 426 L CA -0.996 53.868 54.840 0.041 0.000 0.876 426 L CB -0.633 41.451 42.059 0.041 0.000 1.123 426 L HN 0.274 nan 8.230 nan 0.000 0.505 427 P HA 0.147 nan 4.420 nan 0.000 0.275 427 P C -0.018 177.301 177.300 0.032 0.000 1.228 427 P CA -0.327 62.791 63.100 0.030 0.000 0.786 427 P CB 0.762 32.478 31.700 0.027 0.000 0.927 428 G N 1.830 110.650 108.800 0.034 0.000 2.599 428 G HA2 0.232 4.310 3.960 0.197 0.000 0.264 428 G HA3 0.232 4.310 3.960 0.197 0.000 0.264 428 G C -0.443 174.476 174.900 0.031 0.000 1.200 428 G CA -0.633 44.486 45.100 0.032 0.000 0.896 428 G HN 0.293 nan 8.290 nan 0.000 0.536 429 K N 0.028 120.445 120.400 0.028 0.000 2.436 429 K HA 0.314 4.752 4.320 0.197 0.000 0.275 429 K C 0.488 177.106 176.600 0.031 0.000 0.999 429 K CA -0.016 56.287 56.287 0.027 0.000 0.980 429 K CB 0.665 33.178 32.500 0.021 0.000 0.919 429 K HN 0.519 nan 8.250 nan 0.000 0.484 430 A N 3.881 126.721 122.820 0.034 0.000 2.316 430 A HA 0.334 4.772 4.320 0.197 0.000 0.284 430 A C -0.005 177.604 177.584 0.042 0.000 1.115 430 A CA -0.561 51.501 52.037 0.042 0.000 0.812 430 A CB 0.422 19.451 19.000 0.048 0.000 1.064 430 A HN 0.619 nan 8.150 nan 0.000 0.489 431 R N 1.289 121.820 120.500 0.051 0.000 2.265 431 R HA 0.535 4.993 4.340 0.197 0.000 0.319 431 R C -0.764 175.588 176.300 0.086 0.000 1.006 431 R CA 0.072 56.204 56.100 0.053 0.000 0.880 431 R CB 1.192 31.517 30.300 0.041 0.000 1.077 431 R HN 0.778 nan 8.270 nan 0.000 0.454 432 M N 3.097 122.748 119.600 0.085 0.000 2.602 432 M HA 0.451 5.049 4.480 0.197 0.000 0.312 432 M C -1.433 174.972 176.300 0.175 0.000 1.181 432 M CA -1.014 54.346 55.300 0.100 0.000 0.910 432 M CB 2.239 34.863 32.600 0.039 0.000 1.723 432 M HN 0.583 nan 8.290 nan 0.000 0.459 433 Y N -0.048 120.196 120.300 -0.094 0.000 2.474 433 Y HA 0.545 5.213 4.550 0.196 0.000 0.326 433 Y C -3.135 172.681 175.900 -0.140 0.000 1.160 433 Y CA -2.576 55.460 58.100 -0.107 0.000 1.056 433 Y CB 0.216 38.613 38.460 -0.105 0.000 1.330 433 Y HN 0.433 nan 8.280 nan 0.000 0.447 434 P HA -0.152 nan 4.420 nan 0.000 0.255 434 P C -0.438 176.634 177.300 -0.381 0.000 1.132 434 P CA 0.918 63.903 63.100 -0.192 0.000 0.766 434 P CB 0.401 32.070 31.700 -0.053 0.000 0.715 435 E N 3.398 123.422 120.200 -0.292 0.000 1.856 435 E HA 0.037 4.505 4.350 0.197 0.000 0.263 435 E C 0.901 177.400 176.600 -0.167 0.000 1.137 435 E CA -0.058 56.144 56.400 -0.329 0.000 1.007 435 E CB -0.862 28.695 29.700 -0.239 0.000 1.117 435 E HN 0.391 nan 8.360 nan 0.000 0.438 436 T N 0.378 114.837 114.554 -0.157 0.000 3.098 436 T HA -0.094 4.374 4.350 0.197 0.000 0.266 436 T C 0.784 175.451 174.700 -0.056 0.000 1.145 436 T CA 0.810 62.871 62.100 -0.066 0.000 1.092 436 T CB -0.012 68.831 68.868 -0.042 0.000 0.908 436 T HN 0.249 nan 8.240 nan 0.000 0.526 437 D N 0.888 121.232 120.400 -0.093 0.000 2.194 437 D HA 0.086 4.845 4.640 0.197 0.000 0.204 437 D C 0.524 176.790 176.300 -0.056 0.000 0.964 437 D CA 0.494 54.448 54.000 -0.076 0.000 0.846 437 D CB 0.159 40.896 40.800 -0.105 0.000 0.962 437 D HN 0.401 nan 8.370 nan 0.000 0.490 438 I N 2.653 123.189 120.570 -0.058 0.000 2.321 438 I HA 0.238 4.527 4.170 0.197 0.000 0.291 438 I C -2.113 174.015 176.117 0.019 0.000 0.998 438 I CA -2.570 58.730 61.300 -0.000 0.000 1.227 438 I CB 0.813 38.833 38.000 0.034 0.000 1.368 438 I HN -0.324 nan 8.210 nan 0.000 0.466 439 P HA 0.219 nan 4.420 nan 0.000 0.270 439 P C -2.485 174.780 177.300 -0.058 0.000 1.223 439 P CA -0.870 62.222 63.100 -0.014 0.000 0.785 439 P CB -0.288 31.403 31.700 -0.015 0.000 0.923 440 P HA 0.133 nan 4.420 nan 0.000 0.269 440 P C -0.732 176.422 177.300 -0.243 0.000 1.209 440 P CA 0.179 63.029 63.100 -0.417 0.000 0.776 440 P CB 0.423 31.713 31.700 -0.685 0.000 0.876 441 L N 3.190 124.283 121.223 -0.217 0.000 2.280 441 L HA 0.413 4.871 4.340 0.197 0.000 0.287 441 L C 0.285 177.095 176.870 -0.099 0.000 1.023 441 L CA -1.050 53.729 54.840 -0.100 0.000 0.819 441 L CB 0.950 42.993 42.059 -0.026 0.000 1.212 441 L HN 0.274 nan 8.230 nan 0.000 0.420 442 R N 5.403 125.862 120.500 -0.069 0.000 2.298 442 R HA 0.373 4.831 4.340 0.197 0.000 0.310 442 R C -0.909 175.383 176.300 -0.013 0.000 1.068 442 R CA 0.020 56.097 56.100 -0.038 0.000 0.957 442 R CB 0.286 30.572 30.300 -0.023 0.000 1.003 442 R HN 0.544 nan 8.270 nan 0.000 0.454 443 I N 8.208 128.778 120.570 0.000 0.000 2.287 443 I HA 0.292 4.580 4.170 0.197 0.000 0.290 443 I C -1.884 174.248 176.117 0.026 0.000 1.069 443 I CA -2.323 58.986 61.300 0.016 0.000 1.237 443 I CB 1.413 39.426 38.000 0.022 0.000 1.418 443 I HN 0.459 nan 8.210 nan 0.000 0.481 444 P HA -0.015 nan 4.420 nan 0.000 0.266 444 P C 0.208 177.529 177.300 0.036 0.000 1.195 444 P CA 0.015 63.130 63.100 0.025 0.000 0.768 444 P CB 0.702 32.413 31.700 0.018 0.000 0.838 445 D N 1.429 121.849 120.400 0.033 0.000 2.218 445 D HA -0.154 4.604 4.640 0.197 0.000 0.204 445 D C 1.301 177.618 176.300 0.029 0.000 0.976 445 D CA 1.159 55.181 54.000 0.037 0.000 0.853 445 D CB -0.185 40.633 40.800 0.029 0.000 0.939 445 D HN 0.573 nan 8.370 nan 0.000 0.481 446 D N 0.627 121.039 120.400 0.021 0.000 2.183 446 D HA -0.133 4.626 4.640 0.197 0.000 0.203 446 D C 2.283 178.593 176.300 0.015 0.000 0.969 446 D CA 0.229 54.236 54.000 0.012 0.000 0.842 446 D CB -0.447 40.358 40.800 0.009 0.000 0.957 446 D HN 0.186 nan 8.370 nan 0.000 0.484 447 L N 0.970 122.209 121.223 0.027 0.000 2.072 447 L HA -0.068 4.390 4.340 0.197 0.000 0.205 447 L C 2.301 179.207 176.870 0.060 0.000 1.079 447 L CA 1.578 56.440 54.840 0.036 0.000 0.752 447 L CB -0.432 41.650 42.059 0.038 0.000 0.906 447 L HN -0.195 nan 8.230 nan 0.000 0.436 448 K N -0.008 120.445 120.400 0.089 0.000 2.032 448 K HA -0.214 4.225 4.320 0.197 0.000 0.209 448 K C 2.302 178.907 176.600 0.009 0.000 1.048 448 K CA 2.143 58.532 56.287 0.170 0.000 0.927 448 K CB -0.414 32.219 32.500 0.221 0.000 0.712 448 K HN 0.457 nan 8.250 nan 0.000 0.441 449 K N 2.044 122.428 120.400 -0.028 0.000 2.025 449 K HA -0.141 4.298 4.320 0.197 0.000 0.207 449 K C 1.844 178.396 176.600 -0.080 0.000 1.049 449 K CA 1.758 57.991 56.287 -0.090 0.000 0.933 449 K CB -0.571 31.899 32.500 -0.050 0.000 0.714 449 K HN 0.168 nan 8.250 nan 0.000 0.438 450 K N -0.284 120.095 120.400 -0.033 0.000 2.360 450 K HA 0.002 4.440 4.320 0.197 0.000 0.201 450 K C 1.835 178.422 176.600 -0.022 0.000 1.046 450 K CA 1.220 57.493 56.287 -0.023 0.000 0.940 450 K CB -0.269 32.229 32.500 -0.005 0.000 0.748 450 K HN 0.498 nan 8.250 nan 0.000 0.465 451 I N -0.406 120.152 120.570 -0.020 0.000 2.729 451 I HA -0.124 4.165 4.170 0.197 0.000 0.256 451 I C 2.190 178.267 176.117 -0.066 0.000 1.115 451 I CA 0.278 61.582 61.300 0.007 0.000 1.446 451 I CB -0.086 37.976 38.000 0.103 0.000 1.176 451 I HN 0.048 nan 8.210 nan 0.000 0.446 452 K N 1.499 121.741 120.400 -0.263 0.000 2.281 452 K HA -0.193 4.245 4.320 0.197 0.000 0.203 452 K C 1.590 178.036 176.600 -0.257 0.000 1.046 452 K CA 1.504 57.467 56.287 -0.541 0.000 0.938 452 K CB 0.138 32.036 32.500 -1.003 0.000 0.737 452 K HN 0.399 nan 8.250 nan 0.000 0.458 453 E N -0.358 119.749 120.200 -0.154 0.000 2.276 453 E HA -0.007 4.461 4.350 0.197 0.000 0.193 453 E C 0.402 176.972 176.600 -0.050 0.000 0.983 453 E CA 0.247 56.593 56.400 -0.090 0.000 0.861 453 E CB 0.227 29.886 29.700 -0.069 0.000 0.817 453 E HN 0.289 nan 8.360 nan 0.000 0.485 454 N N 1.563 120.241 118.700 -0.037 0.000 2.455 454 N HA 0.126 4.984 4.740 0.197 0.000 0.258 454 N C -0.321 175.189 175.510 -0.001 0.000 1.158 454 N CA 0.127 53.169 53.050 -0.014 0.000 0.893 454 N CB 0.478 38.960 38.487 -0.007 0.000 1.173 454 N HN 0.112 nan 8.380 nan 0.000 0.503 455 L N 1.439 122.661 121.223 -0.002 0.000 2.453 455 L HA 0.204 4.663 4.340 0.197 0.000 0.272 455 L C -1.651 175.228 176.870 0.015 0.000 1.182 455 L CA -1.258 53.593 54.840 0.018 0.000 0.858 455 L CB -0.409 41.668 42.059 0.029 0.000 1.120 455 L HN -0.155 nan 8.230 nan 0.000 0.474 456 P HA 0.060 nan 4.420 nan 0.000 0.270 456 P C -0.916 176.388 177.300 0.007 0.000 1.223 456 P CA -0.504 62.601 63.100 0.009 0.000 0.785 456 P CB 0.426 32.128 31.700 0.004 0.000 0.923 457 E N 1.559 121.761 120.200 0.002 0.000 2.227 457 E HA 0.321 4.789 4.350 0.197 0.000 0.282 457 E C -0.698 175.893 176.600 -0.015 0.000 1.015 457 E CA -0.916 55.481 56.400 -0.003 0.000 0.823 457 E CB 0.307 29.999 29.700 -0.014 0.000 1.081 457 E HN 0.043 nan 8.360 nan 0.000 0.396 458 L N 4.757 125.978 121.223 -0.004 0.000 2.492 458 L HA 0.026 4.484 4.340 0.197 0.000 0.280 458 L C -1.410 175.434 176.870 -0.042 0.000 1.240 458 L CA -1.412 53.421 54.840 -0.012 0.000 0.831 458 L CB -0.175 41.911 42.059 0.044 0.000 1.100 458 L HN 0.635 nan 8.230 nan 0.000 0.505 459 P HA -0.181 nan 4.420 nan 0.000 0.215 459 P C 1.368 178.604 177.300 -0.108 0.000 1.153 459 P CA 0.898 63.954 63.100 -0.072 0.000 0.853 459 P CB 0.279 31.950 31.700 -0.048 0.000 0.788 460 Q N -0.425 119.336 119.800 -0.065 0.000 2.079 460 Q HA -0.045 4.413 4.340 0.197 0.000 0.200 460 Q C 2.156 178.093 176.000 -0.106 0.000 0.974 460 Q CA 1.761 57.521 55.803 -0.073 0.000 0.840 460 Q CB -1.401 27.326 28.738 -0.017 0.000 0.898 460 Q HN 0.077 nan 8.270 nan 0.000 0.430 461 A N 0.382 123.156 122.820 -0.076 0.000 2.032 461 A HA -0.270 4.169 4.320 0.197 0.000 0.221 461 A C 1.881 179.359 177.584 -0.176 0.000 1.165 461 A CA 1.778 53.764 52.037 -0.085 0.000 0.645 461 A CB -0.390 18.585 19.000 -0.042 0.000 0.807 461 A HN 0.315 nan 8.150 nan 0.000 0.453 462 K N -0.695 119.544 120.400 -0.269 0.000 1.991 462 K HA -0.028 4.410 4.320 0.197 0.000 0.207 462 K C 1.912 178.007 176.600 -0.842 0.000 1.045 462 K CA 1.278 57.231 56.287 -0.558 0.000 0.937 462 K CB -0.479 31.681 32.500 -0.566 0.000 0.720 462 K HN 0.265 nan 8.250 nan 0.000 0.438 463 V N 2.334 121.890 119.914 -0.597 0.000 2.317 463 V HA -0.311 3.927 4.120 0.197 0.000 0.251 463 V C 1.999 177.956 176.094 -0.229 0.000 1.065 463 V CA 2.002 64.062 62.300 -0.401 0.000 1.049 463 V CB -0.604 31.107 31.823 -0.185 0.000 0.651 463 V HN 0.374 nan 8.190 nan 0.000 0.450 464 E N -0.421 119.671 120.200 -0.180 0.000 2.072 464 E HA -0.223 4.246 4.350 0.197 0.000 0.191 464 E C 2.445 179.009 176.600 -0.059 0.000 0.985 464 E CA 1.152 57.500 56.400 -0.086 0.000 0.801 464 E CB -0.215 29.445 29.700 -0.067 0.000 0.750 464 E HN 0.501 nan 8.360 nan 0.000 0.452 465 R N 0.400 120.832 120.500 -0.113 0.000 2.066 465 R HA -0.137 4.322 4.340 0.197 0.000 0.232 465 R C 2.118 178.463 176.300 0.075 0.000 1.131 465 R CA 1.281 57.359 56.100 -0.036 0.000 0.955 465 R CB -0.262 29.992 30.300 -0.076 0.000 0.851 465 R HN 0.320 nan 8.270 nan 0.000 0.432 466 Y N -0.138 120.091 120.300 -0.119 0.000 2.139 466 Y HA -0.278 4.390 4.550 0.197 0.000 0.282 466 Y C 2.369 178.290 175.900 0.035 0.000 1.179 466 Y CA 0.838 58.886 58.100 -0.087 0.000 1.161 466 Y CB -0.042 38.383 38.460 -0.058 0.000 0.970 466 Y HN -0.014 nan 8.280 nan 0.000 0.511 467 V N -0.220 119.799 119.914 0.175 0.000 2.548 467 V HA -0.226 4.013 4.120 0.197 0.000 0.249 467 V C 1.979 178.140 176.094 0.112 0.000 1.055 467 V CA 1.536 63.907 62.300 0.119 0.000 1.065 467 V CB -0.357 31.503 31.823 0.062 0.000 0.681 467 V HN 0.327 nan 8.190 nan 0.000 0.462 468 K N -0.048 120.415 120.400 0.105 0.000 2.049 468 K HA -0.019 4.419 4.320 0.197 0.000 0.214 468 K C 2.154 178.844 176.600 0.151 0.000 1.026 468 K CA 0.907 57.253 56.287 0.099 0.000 0.954 468 K CB -0.249 32.293 32.500 0.070 0.000 0.838 468 K HN 0.343 nan 8.250 nan 0.000 0.450 469 E N 0.192 120.505 120.200 0.189 0.000 2.055 469 E HA -0.238 4.230 4.350 0.197 0.000 0.209 469 E C 1.936 178.789 176.600 0.421 0.000 1.036 469 E CA 1.889 58.469 56.400 0.300 0.000 0.849 469 E CB -0.229 29.704 29.700 0.388 0.000 0.767 469 E HN 0.320 nan 8.360 nan 0.000 0.461 470 Y N 0.065 120.428 120.300 0.104 0.000 2.583 470 Y HA 0.005 4.673 4.550 0.197 0.000 0.293 470 Y C 1.085 177.030 175.900 0.075 0.000 1.157 470 Y CA 0.329 58.479 58.100 0.083 0.000 1.315 470 Y CB 0.125 38.642 38.460 0.095 0.000 1.021 470 Y HN -0.005 nan 8.280 nan 0.000 0.536 471 K N -0.956 119.585 120.400 0.234 0.000 3.577 471 K HA -0.257 4.181 4.320 0.197 0.000 0.300 471 K C 0.392 177.069 176.600 0.127 0.000 1.235 471 K CA 1.147 57.519 56.287 0.142 0.000 1.028 471 K CB -2.610 29.947 32.500 0.096 0.000 1.306 471 K HN 0.532 nan 8.250 nan 0.000 0.432 472 L N 1.195 122.517 121.223 0.164 0.000 2.536 472 L HA 0.162 4.620 4.340 0.197 0.000 0.294 472 L C 0.610 177.529 176.870 0.082 0.000 1.257 472 L CA -0.147 54.764 54.840 0.119 0.000 0.850 472 L CB 0.212 42.350 42.059 0.131 0.000 1.105 472 L HN -0.006 nan 8.230 nan 0.000 0.517 473 D N 0.664 121.094 120.400 0.050 0.000 2.443 473 D HA 0.040 4.798 4.640 0.197 0.000 0.239 473 D C 1.181 177.496 176.300 0.025 0.000 1.136 473 D CA 0.104 54.123 54.000 0.033 0.000 0.879 473 D CB 0.912 41.724 40.800 0.020 0.000 1.195 473 D HN 0.588 nan 8.370 nan 0.000 0.443 474 R N 1.455 121.968 120.500 0.022 0.000 2.097 474 R HA -0.192 4.266 4.340 0.197 0.000 0.236 474 R C 2.326 178.625 176.300 -0.002 0.000 1.135 474 R CA 1.928 58.035 56.100 0.013 0.000 0.934 474 R CB -0.691 29.614 30.300 0.008 0.000 0.846 474 R HN 0.711 nan 8.270 nan 0.000 0.431 475 S N 1.224 116.921 115.700 -0.004 0.000 2.389 475 S HA -0.217 4.371 4.470 0.197 0.000 0.231 475 S C 2.094 176.678 174.600 -0.026 0.000 1.052 475 S CA 1.471 59.664 58.200 -0.012 0.000 1.053 475 S CB -0.737 62.459 63.200 -0.008 0.000 0.886 475 S HN 0.269 nan 8.310 nan 0.000 0.456 476 L N 1.374 122.578 121.223 -0.031 0.000 2.027 476 L HA -0.044 4.414 4.340 0.197 0.000 0.206 476 L C 3.261 180.065 176.870 -0.110 0.000 1.074 476 L CA 1.189 55.986 54.840 -0.071 0.000 0.745 476 L CB -1.070 40.950 42.059 -0.066 0.000 0.898 476 L HN 0.492 nan 8.230 nan 0.000 0.433 477 A N -0.606 122.184 122.820 -0.049 0.000 1.851 477 A HA -0.260 4.178 4.320 0.197 0.000 0.216 477 A C 2.258 179.835 177.584 -0.011 0.000 1.195 477 A CA 1.573 53.626 52.037 0.025 0.000 0.622 477 A CB -0.578 18.474 19.000 0.087 0.000 0.831 477 A HN 0.373 nan 8.150 nan 0.000 0.444 478 Q N -0.669 119.114 119.800 -0.028 0.000 2.002 478 Q HA -0.144 4.314 4.340 0.197 0.000 0.204 478 Q C 2.320 178.298 176.000 -0.036 0.000 0.988 478 Q CA 2.242 58.023 55.803 -0.036 0.000 0.843 478 Q CB -1.292 27.430 28.738 -0.027 0.000 0.908 478 Q HN 0.674 nan 8.270 nan 0.000 0.420 479 T N 2.185 116.716 114.554 -0.039 0.000 2.760 479 T HA -0.152 4.316 4.350 0.197 0.000 0.269 479 T C 2.004 176.677 174.700 -0.044 0.000 1.047 479 T CA 1.027 63.105 62.100 -0.036 0.000 1.139 479 T CB -0.266 68.580 68.868 -0.036 0.000 0.855 479 T HN 0.184 nan 8.240 nan 0.000 0.471 480 L N 0.218 121.394 121.223 -0.079 0.000 2.083 480 L HA -0.077 4.382 4.340 0.197 0.000 0.209 480 L C 2.575 179.440 176.870 -0.008 0.000 1.083 480 L CA 0.936 55.722 54.840 -0.089 0.000 0.752 480 L CB -0.515 41.387 42.059 -0.262 0.000 0.899 480 L HN 0.180 nan 8.230 nan 0.000 0.433 481 V N -0.834 119.076 119.914 -0.006 0.000 2.331 481 V HA -0.181 4.057 4.120 0.197 0.000 0.242 481 V C 1.904 177.993 176.094 -0.007 0.000 1.034 481 V CA 1.473 63.772 62.300 -0.002 0.000 1.027 481 V CB -0.393 31.404 31.823 -0.042 0.000 0.667 481 V HN 0.370 nan 8.190 nan 0.000 0.457 482 D N 0.405 120.796 120.400 -0.015 0.000 2.311 482 D HA -0.121 4.637 4.640 0.197 0.000 0.212 482 D C 0.750 177.047 176.300 -0.005 0.000 0.972 482 D CA 1.079 55.072 54.000 -0.011 0.000 0.887 482 D CB -0.100 40.693 40.800 -0.012 0.000 0.915 482 D HN 0.450 nan 8.370 nan 0.000 0.497 483 D N -0.284 120.115 120.400 -0.003 0.000 2.643 483 D HA 0.136 4.895 4.640 0.197 0.000 0.244 483 D C 1.072 177.379 176.300 0.011 0.000 1.257 483 D CA 0.421 54.422 54.000 0.003 0.000 0.831 483 D CB 0.277 41.077 40.800 0.001 0.000 1.043 483 D HN 0.276 nan 8.370 nan 0.000 0.488 484 E N -0.462 119.746 120.200 0.014 0.000 3.208 484 E HA -0.377 4.091 4.350 0.197 0.000 0.277 484 E C 1.467 178.091 176.600 0.040 0.000 0.989 484 E CA 1.964 58.378 56.400 0.023 0.000 0.850 484 E CB -2.538 27.173 29.700 0.017 0.000 1.429 484 E HN 0.603 nan 8.360 nan 0.000 0.463 485 R N 0.570 121.095 120.500 0.043 0.000 2.319 485 R HA 0.348 4.806 4.340 0.197 0.000 0.204 485 R C 1.866 178.233 176.300 0.113 0.000 0.954 485 R CA 1.618 57.757 56.100 0.065 0.000 1.066 485 R CB -1.061 29.268 30.300 0.048 0.000 0.991 485 R HN 0.980 nan 8.270 nan 0.000 0.486 486 D N -1.126 119.344 120.400 0.116 0.000 2.219 486 D HA -0.055 4.703 4.640 0.197 0.000 0.205 486 D C 1.805 178.243 176.300 0.229 0.000 0.970 486 D CA 1.392 55.514 54.000 0.204 0.000 0.851 486 D CB 0.077 40.977 40.800 0.165 0.000 0.943 486 D HN 0.477 nan 8.370 nan 0.000 0.488 487 E N 1.482 121.768 120.200 0.143 0.000 2.017 487 E HA -0.068 4.400 4.350 0.197 0.000 0.193 487 E C 2.303 178.971 176.600 0.112 0.000 0.997 487 E CA 1.427 57.894 56.400 0.112 0.000 0.804 487 E CB -1.247 28.495 29.700 0.070 0.000 0.757 487 E HN 0.421 nan 8.360 nan 0.000 0.448 488 L N -1.093 120.194 121.223 0.107 0.000 2.013 488 L HA -0.119 4.339 4.340 0.197 0.000 0.212 488 L C 2.698 179.631 176.870 0.105 0.000 1.073 488 L CA 1.947 56.841 54.840 0.089 0.000 0.753 488 L CB -0.600 41.510 42.059 0.086 0.000 0.890 488 L HN 0.441 nan 8.230 nan 0.000 0.432 489 F N 1.267 121.225 119.950 0.013 0.000 2.087 489 F HA -0.290 4.355 4.527 0.197 0.000 0.299 489 F C 2.571 178.356 175.800 -0.025 0.000 1.100 489 F CA 1.911 59.901 58.000 -0.015 0.000 1.226 489 F CB -0.316 38.666 39.000 -0.030 0.000 0.983 489 F HN 0.107 nan 8.300 nan 0.000 0.479 490 E N -0.130 120.059 120.200 -0.019 0.000 2.160 490 E HA -0.244 4.224 4.350 0.197 0.000 0.195 490 E C 2.333 178.862 176.600 -0.119 0.000 0.991 490 E CA 1.381 57.724 56.400 -0.095 0.000 0.810 490 E CB -0.487 29.258 29.700 0.075 0.000 0.742 490 E HN 0.736 nan 8.360 nan 0.000 0.466 491 E N 1.448 121.608 120.200 -0.068 0.000 2.051 491 E HA -0.137 4.331 4.350 0.197 0.000 0.192 491 E C 2.391 178.935 176.600 -0.094 0.000 0.991 491 E CA 1.533 57.900 56.400 -0.054 0.000 0.799 491 E CB -1.541 28.149 29.700 -0.018 0.000 0.748 491 E HN 0.263 nan 8.360 nan 0.000 0.449 492 L N 1.010 122.151 121.223 -0.137 0.000 1.971 492 L HA 0.147 4.605 4.340 0.197 0.000 0.215 492 L C 3.388 180.154 176.870 -0.173 0.000 1.072 492 L CA 3.835 58.587 54.840 -0.145 0.000 0.758 492 L CB -1.801 40.161 42.059 -0.163 0.000 0.889 492 L HN 0.834 nan 8.230 nan 0.000 0.433 493 V N -0.798 118.952 119.914 -0.273 0.000 2.392 493 V HA -0.156 4.082 4.120 0.197 0.000 0.249 493 V C 3.004 179.023 176.094 -0.124 0.000 1.059 493 V CA 3.797 65.964 62.300 -0.221 0.000 1.051 493 V CB -1.474 30.195 31.823 -0.257 0.000 0.658 493 V HN 0.962 nan 8.190 nan 0.000 0.455 494 S N -0.074 115.570 115.700 -0.093 0.000 2.423 494 S HA -0.133 4.455 4.470 0.197 0.000 0.238 494 S C 2.102 176.673 174.600 -0.049 0.000 1.028 494 S CA 3.403 61.575 58.200 -0.048 0.000 1.000 494 S CB -0.776 62.404 63.200 -0.033 0.000 0.797 494 S HN 1.535 nan 8.310 nan 0.000 0.487 495 M N 0.377 119.939 119.600 -0.063 0.000 2.691 495 M HA 0.523 5.121 4.480 0.197 0.000 0.227 495 M C 2.019 178.283 176.300 -0.060 0.000 1.120 495 M CA 1.078 56.346 55.300 -0.053 0.000 1.034 495 M CB -1.849 30.720 32.600 -0.051 0.000 1.675 495 M HN 1.638 nan 8.290 nan 0.000 0.514 496 G N -1.091 107.665 108.800 -0.073 0.000 2.186 496 G HA2 0.036 4.114 3.960 0.197 0.000 0.266 496 G HA3 0.036 4.114 3.960 0.197 0.000 0.266 496 G C 0.676 175.521 174.900 -0.091 0.000 0.982 496 G CA 0.843 45.894 45.100 -0.082 0.000 0.670 496 G HN 2.084 nan 8.290 nan 0.000 0.533 497 V N -0.513 119.346 119.914 -0.091 0.000 3.906 497 V HA 0.784 5.022 4.120 0.197 0.000 0.265 497 V C 1.971 178.005 176.094 -0.101 0.000 0.910 497 V CA 1.487 63.736 62.300 -0.085 0.000 0.858 497 V CB -0.640 31.140 31.823 -0.072 0.000 1.199 497 V HN 1.806 nan 8.190 nan 0.000 0.390 498 K N 1.022 121.374 120.400 -0.080 0.000 3.858 498 K HA -0.043 4.396 4.320 0.197 0.000 0.243 498 K C -0.639 175.910 176.600 -0.085 0.000 0.990 498 K CA 0.783 57.031 56.287 -0.065 0.000 1.078 498 K CB -2.716 29.756 32.500 -0.047 0.000 1.735 498 K HN 0.868 nan 8.250 nan 0.000 0.433 499 P HA -0.379 nan 4.420 nan 0.000 0.231 499 P C 1.338 178.573 177.300 -0.109 0.000 1.032 499 P CA 3.845 66.871 63.100 -0.122 0.000 1.048 499 P CB 0.097 31.752 31.700 -0.076 0.000 0.731 500 S N -5.253 110.452 115.700 0.009 0.000 6.009 500 S HA 0.201 4.789 4.470 0.197 0.000 0.104 500 S C 1.762 176.484 174.600 0.202 0.000 1.171 500 S CA 0.613 58.917 58.200 0.173 0.000 1.364 500 S CB -1.127 62.211 63.200 0.231 0.000 1.747 500 S HN 0.212 nan 8.310 nan 0.000 0.498 501 L N 1.530 122.820 121.223 0.111 0.000 1.971 501 L HA 0.444 4.902 4.340 0.197 0.000 0.215 501 L C 3.116 180.033 176.870 0.080 0.000 1.072 501 L CA 3.201 58.091 54.840 0.083 0.000 0.758 501 L CB -2.222 39.866 42.059 0.048 0.000 0.889 501 L HN 1.460 nan 8.230 nan 0.000 0.433 502 A N -0.756 122.099 122.820 0.059 0.000 1.849 502 A HA -0.035 4.403 4.320 0.197 0.000 0.217 502 A C 2.861 180.492 177.584 0.079 0.000 1.202 502 A CA 3.586 55.652 52.037 0.048 0.000 0.629 502 A CB -1.358 17.656 19.000 0.022 0.000 0.834 502 A HN 1.632 nan 8.150 nan 0.000 0.447 503 A N -0.833 122.051 122.820 0.106 0.000 1.849 503 A HA -0.052 4.386 4.320 0.197 0.000 0.217 503 A C 2.686 180.436 177.584 0.276 0.000 1.202 503 A CA 3.600 55.742 52.037 0.174 0.000 0.629 503 A CB -1.578 17.491 19.000 0.116 0.000 0.834 503 A HN 1.251 nan 8.150 nan 0.000 0.447 504 S N -0.295 115.633 115.700 0.380 0.000 2.389 504 S HA -0.096 4.492 4.470 0.197 0.000 0.229 504 S C 2.351 176.974 174.600 0.038 0.000 1.048 504 S CA 3.955 62.211 58.200 0.094 0.000 1.117 504 S CB -1.529 61.666 63.200 -0.008 0.000 1.020 504 S HN 1.520 nan 8.310 nan 0.000 0.430 505 I N 1.365 121.964 120.570 0.049 0.000 2.091 505 I HA -0.082 4.206 4.170 0.197 0.000 0.239 505 I C 2.650 178.786 176.117 0.032 0.000 1.061 505 I CA 2.233 63.550 61.300 0.029 0.000 1.317 505 I CB -1.687 36.331 38.000 0.030 0.000 1.031 505 I HN 0.602 nan 8.210 nan 0.000 0.401 506 L N -0.135 121.115 121.223 0.046 0.000 2.021 506 L HA -0.258 4.200 4.340 0.197 0.000 0.215 506 L C 2.619 179.512 176.870 0.039 0.000 1.074 506 L CA 1.894 56.758 54.840 0.040 0.000 0.760 506 L CB -1.092 40.995 42.059 0.046 0.000 0.889 506 L HN 0.505 nan 8.230 nan 0.000 0.433 507 V N -0.343 119.603 119.914 0.054 0.000 2.251 507 V HA -0.239 3.999 4.120 0.197 0.000 0.230 507 V C 2.584 178.690 176.094 0.020 0.000 1.032 507 V CA 1.808 64.135 62.300 0.046 0.000 0.997 507 V CB -0.867 31.001 31.823 0.074 0.000 0.643 507 V HN 0.330 nan 8.190 nan 0.000 0.462 508 V N -0.232 119.682 119.914 -0.001 0.000 2.311 508 V HA -0.239 3.999 4.120 0.197 0.000 0.256 508 V C 2.276 178.368 176.094 -0.004 0.000 1.077 508 V CA 3.961 66.252 62.300 -0.014 0.000 1.067 508 V CB -1.038 30.761 31.823 -0.040 0.000 0.659 508 V HN 0.468 nan 8.190 nan 0.000 0.451 509 V N -1.880 118.035 119.914 0.001 0.000 2.602 509 V HA 0.329 4.567 4.120 0.197 0.000 0.235 509 V C 2.738 178.837 176.094 0.008 0.000 1.087 509 V CA 2.524 64.827 62.300 0.004 0.000 1.117 509 V CB -0.419 31.407 31.823 0.004 0.000 0.820 509 V HN 0.953 nan 8.190 nan 0.000 0.490 510 L N 1.061 122.291 121.223 0.012 0.000 1.978 510 L HA 0.065 4.523 4.340 0.197 0.000 0.218 510 L C 2.471 179.349 176.870 0.012 0.000 1.075 510 L CA 3.688 58.536 54.840 0.013 0.000 0.767 510 L CB -2.171 39.898 42.059 0.017 0.000 0.890 510 L HN 0.813 nan 8.230 nan 0.000 0.434 511 K N 0.578 120.987 120.400 0.015 0.000 2.715 511 K HA 0.542 4.981 4.320 0.197 0.000 0.248 511 K C 0.498 177.104 176.600 0.011 0.000 1.276 511 K CA 0.513 56.809 56.287 0.014 0.000 1.209 511 K CB -1.173 31.338 32.500 0.018 0.000 1.509 511 K HN 1.911 nan 8.250 nan 0.000 0.261 512 G N 0.000 108.805 108.800 0.009 0.000 5.446 512 G HA2 0.000 4.078 3.960 0.197 0.000 0.244 512 G HA3 0.000 4.078 3.960 0.197 0.000 0.244 512 G CA 0.000 45.104 45.100 0.007 0.000 0.502 512 G HN 0.000 nan 8.290 nan 0.000 0.925