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 2c16_1_A DATA FIRST_RESID 3 DATA SEQUENCE FTPANRAYPY TRLRRNRRDD FSRRLVRENV LTVDDLILPV FVLDGVNQRE DATA SEQUENCE SIPSMPGVER LSIDQLLIEA EEWVALGIPA LALFPVTPVE KKSLDAAEAY DATA SEQUENCE NPEGIAQRAT RALRERFPEL GIITDVALDP FTTHGQDGIL DDDGYVLNDV DATA SEQUENCE SIDVLVRQAL SHAEAGAQVV APSDMMDGRI GAIREALESA GHTNVRVMAY DATA SEQUENCE SAXYASAYYG PFRDAVGSXX XXXXXNKATY QMDPANSDEA LHEVAADLAE DATA SEQUENCE GADMVMVKPG MPYLDIVRRV KDEFRAPTFV YQVSGEYAMH MGAIQNGWLA DATA SEQUENCE ESVILESLTA FKRAGADGIL TYFAKQAAEQ LRRG 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 3 F HA 0.000 nan 4.527 nan 0.000 0.279 3 F C 0.000 175.800 175.800 -0.001 0.000 0.967 3 F CA 0.000 57.998 58.000 -0.002 0.000 1.383 3 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 4 T N 4.675 118.838 114.554 -0.651 0.000 2.815 4 T HA 0.547 4.897 4.350 -0.000 0.000 0.289 4 T C -2.311 171.838 174.700 -0.919 0.000 1.000 4 T CA -1.831 59.907 62.100 -0.603 0.000 0.958 4 T CB 1.849 70.558 68.868 -0.265 0.000 0.944 4 T HN 0.364 nan 8.240 nan 0.000 0.442 5 P HA 0.161 nan 4.420 nan 0.000 0.225 5 P C 0.998 178.159 177.300 -0.233 0.000 1.148 5 P CA 1.050 63.864 63.100 -0.476 0.000 0.779 5 P CB -0.121 31.512 31.700 -0.112 0.000 0.780 6 A N -1.099 121.597 122.820 -0.208 0.000 2.826 6 A HA -0.278 4.042 4.320 -0.000 0.000 0.274 6 A C 0.672 178.221 177.584 -0.058 0.000 1.443 6 A CA 0.880 52.846 52.037 -0.118 0.000 0.833 6 A CB -2.762 16.172 19.000 -0.109 0.000 1.023 6 A HN 0.321 nan 8.150 nan 0.000 0.600 7 N N -2.029 116.647 118.700 -0.041 0.000 2.714 7 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 7 N C -0.033 175.494 175.510 0.029 0.000 1.117 7 N CA 1.744 54.793 53.050 -0.002 0.000 0.719 7 N CB -1.153 37.330 38.487 -0.008 0.000 1.081 7 N HN 0.935 nan 8.380 nan 0.000 0.557 8 R N 0.408 120.929 120.500 0.035 0.000 2.442 8 R HA 0.502 4.842 4.340 -0.000 0.000 0.291 8 R C 0.335 176.698 176.300 0.105 0.000 1.069 8 R CA 0.572 56.715 56.100 0.071 0.000 1.022 8 R CB 0.764 31.105 30.300 0.069 0.000 0.976 8 R HN 0.260 nan 8.270 nan 0.000 0.443 9 A N 3.194 126.104 122.820 0.149 0.000 2.459 9 A HA 0.211 4.531 4.320 -0.000 0.000 0.296 9 A C -1.401 176.274 177.584 0.152 0.000 1.039 9 A CA -0.763 51.372 52.037 0.163 0.000 0.698 9 A CB 0.819 19.924 19.000 0.175 0.000 1.261 9 A HN 0.749 nan 8.150 nan 0.000 0.405 10 Y N 4.702 124.998 120.300 -0.007 0.000 2.702 10 Y HA 0.331 4.881 4.550 -0.000 0.000 0.336 10 Y C -1.105 174.664 175.900 -0.219 0.000 1.235 10 Y CA -0.215 57.836 58.100 -0.082 0.000 1.492 10 Y CB 0.926 39.351 38.460 -0.059 0.000 1.308 10 Y HN 0.538 nan 8.280 nan 0.000 0.589 11 P HA -0.006 nan 4.420 nan 0.000 0.261 11 P C 0.392 177.358 177.300 -0.556 0.000 1.268 11 P CA 0.644 63.067 63.100 -1.129 0.000 0.833 11 P CB 0.097 31.052 31.700 -1.241 0.000 1.231 12 Y N 0.983 121.186 120.300 -0.162 0.000 2.181 12 Y HA -0.054 4.496 4.550 -0.000 0.000 0.288 12 Y C 1.273 177.149 175.900 -0.040 0.000 1.146 12 Y CA 0.938 58.990 58.100 -0.081 0.000 1.164 12 Y CB -1.664 36.766 38.460 -0.050 0.000 0.982 12 Y HN -0.136 nan 8.280 nan 0.000 0.515 13 T N 3.080 117.704 114.554 0.116 0.000 2.743 13 T HA 0.472 4.822 4.350 -0.000 0.000 0.292 13 T C -0.165 174.594 174.700 0.098 0.000 0.972 13 T CA -0.667 61.492 62.100 0.098 0.000 0.967 13 T CB 0.445 69.379 68.868 0.111 0.000 0.926 13 T HN 0.069 nan 8.240 nan 0.000 0.459 14 R N 3.288 123.836 120.500 0.080 0.000 2.371 14 R HA 0.342 4.682 4.340 -0.000 0.000 0.312 14 R C 0.808 177.148 176.300 0.066 0.000 0.980 14 R CA -0.499 55.664 56.100 0.104 0.000 0.867 14 R CB 1.009 31.359 30.300 0.083 0.000 1.163 14 R HN 0.570 nan 8.270 nan 0.000 0.492 15 L N 1.864 123.124 121.223 0.062 0.000 2.456 15 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 15 L C 2.026 178.904 176.870 0.014 0.000 1.148 15 L CA 1.201 56.061 54.840 0.034 0.000 0.825 15 L CB -0.200 41.877 42.059 0.030 0.000 0.937 15 L HN 0.432 nan 8.230 nan 0.000 0.450 16 R N -0.253 120.259 120.500 0.019 0.000 2.235 16 R HA -0.055 4.285 4.340 -0.000 0.000 0.213 16 R C 2.279 178.575 176.300 -0.007 0.000 1.059 16 R CA 0.522 56.624 56.100 0.003 0.000 0.997 16 R CB -0.098 30.209 30.300 0.012 0.000 0.884 16 R HN 0.402 nan 8.270 nan 0.000 0.462 17 R N 0.566 121.067 120.500 0.002 0.000 2.083 17 R HA -0.115 4.225 4.340 -0.000 0.000 0.237 17 R C 1.714 177.987 176.300 -0.044 0.000 1.137 17 R CA 1.759 57.855 56.100 -0.007 0.000 0.951 17 R CB -0.495 29.811 30.300 0.009 0.000 0.851 17 R HN 0.370 nan 8.270 nan 0.000 0.434 18 N N 0.395 119.065 118.700 -0.051 0.000 2.289 18 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 18 N C 1.482 176.913 175.510 -0.131 0.000 1.016 18 N CA 0.649 53.639 53.050 -0.100 0.000 0.872 18 N CB 0.000 38.444 38.487 -0.072 0.000 0.973 18 N HN 0.193 nan 8.380 nan 0.000 0.433 19 R N 0.218 120.667 120.500 -0.085 0.000 2.299 19 R HA 0.060 4.400 4.340 -0.000 0.000 0.197 19 R C 1.835 178.087 176.300 -0.080 0.000 0.971 19 R CA 0.162 56.214 56.100 -0.079 0.000 1.030 19 R CB 0.087 30.358 30.300 -0.048 0.000 0.932 19 R HN 0.091 nan 8.270 nan 0.000 0.477 20 R N 1.278 121.728 120.500 -0.083 0.000 2.096 20 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 20 R C -0.244 176.024 176.300 -0.053 0.000 1.127 20 R CA 1.411 57.481 56.100 -0.050 0.000 0.968 20 R CB 0.146 30.431 30.300 -0.025 0.000 0.861 20 R HN 0.050 nan 8.270 nan 0.000 0.440 21 D N -1.247 119.077 120.400 -0.126 0.000 2.671 21 D HA 0.055 4.695 4.640 -0.000 0.000 0.232 21 D C -0.341 175.865 176.300 -0.158 0.000 1.114 21 D CA -0.442 53.505 54.000 -0.088 0.000 0.858 21 D CB 1.730 42.535 40.800 0.008 0.000 1.544 21 D HN -0.080 nan 8.370 nan 0.000 0.471 22 D N 0.707 121.086 120.400 -0.035 0.000 2.116 22 D HA -0.227 4.413 4.640 -0.000 0.000 0.193 22 D C 1.938 178.211 176.300 -0.046 0.000 0.998 22 D CA 1.590 55.575 54.000 -0.024 0.000 0.836 22 D CB -0.097 40.726 40.800 0.039 0.000 0.951 22 D HN 0.483 nan 8.370 nan 0.000 0.449 23 F N 0.820 120.772 119.950 0.003 0.000 2.126 23 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 23 F C 2.347 178.149 175.800 0.004 0.000 1.096 23 F CA 1.832 59.834 58.000 0.004 0.000 1.255 23 F CB -1.244 37.758 39.000 0.004 0.000 0.997 23 F HN 0.027 nan 8.300 nan 0.000 0.479 24 S N 0.471 115.357 115.700 -1.357 0.000 2.436 24 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 24 S C 1.969 176.357 174.600 -0.353 0.000 1.014 24 S CA 0.452 58.124 58.200 -0.880 0.000 0.950 24 S CB -0.670 61.948 63.200 -0.970 0.000 0.784 24 S HN 0.520 nan 8.310 nan 0.000 0.504 25 R N 1.262 121.592 120.500 -0.283 0.000 2.081 25 R HA 0.089 4.429 4.340 -0.000 0.000 0.235 25 R C 2.713 178.962 176.300 -0.085 0.000 1.131 25 R CA 1.436 57.451 56.100 -0.142 0.000 0.960 25 R CB -0.287 29.949 30.300 -0.106 0.000 0.856 25 R HN 0.432 nan 8.270 nan 0.000 0.436 26 R N 0.455 120.918 120.500 -0.062 0.000 2.115 26 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 26 R C 2.292 178.591 176.300 -0.002 0.000 1.111 26 R CA 0.946 57.039 56.100 -0.012 0.000 0.976 26 R CB -0.202 30.114 30.300 0.027 0.000 0.870 26 R HN 0.214 nan 8.270 nan 0.000 0.445 27 L N 0.278 121.496 121.223 -0.008 0.000 2.109 27 L HA -0.090 4.249 4.340 -0.000 0.000 0.207 27 L C 2.167 179.035 176.870 -0.003 0.000 1.086 27 L CA 0.829 55.679 54.840 0.017 0.000 0.760 27 L CB -0.153 41.937 42.059 0.051 0.000 0.910 27 L HN 0.129 nan 8.230 nan 0.000 0.437 28 V N -3.060 116.837 119.914 -0.029 0.000 3.647 28 V HA 0.098 4.218 4.120 -0.000 0.000 0.279 28 V C 1.255 177.337 176.094 -0.019 0.000 1.314 28 V CA -0.349 61.938 62.300 -0.022 0.000 1.125 28 V CB -0.620 31.184 31.823 -0.032 0.000 0.907 28 V HN 0.248 nan 8.190 nan 0.000 0.434 29 R N 1.557 122.043 120.500 -0.022 0.000 2.486 29 R HA -0.005 4.335 4.340 -0.000 0.000 0.303 29 R C 1.012 177.305 176.300 -0.013 0.000 0.958 29 R CA 0.658 56.745 56.100 -0.020 0.000 1.077 29 R CB 0.264 30.553 30.300 -0.019 0.000 0.921 29 R HN 0.605 nan 8.270 nan 0.000 0.406 30 E N 2.584 122.775 120.200 -0.015 0.000 2.230 30 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 30 E C -0.138 176.456 176.600 -0.010 0.000 0.987 30 E CA 0.588 56.982 56.400 -0.010 0.000 0.841 30 E CB 0.226 29.919 29.700 -0.012 0.000 0.783 30 E HN 0.579 nan 8.360 nan 0.000 0.481 31 N N -0.045 118.647 118.700 -0.014 0.000 2.331 31 N HA 0.310 5.050 4.740 -0.000 0.000 0.280 31 N C -1.511 173.991 175.510 -0.013 0.000 1.155 31 N CA -0.380 52.662 53.050 -0.013 0.000 0.822 31 N CB 3.004 41.482 38.487 -0.016 0.000 1.619 31 N HN -0.226 nan 8.380 nan 0.000 0.476 32 V N 1.809 121.717 119.914 -0.010 0.000 2.567 32 V HA 0.279 4.399 4.120 -0.000 0.000 0.298 32 V C -0.296 175.794 176.094 -0.006 0.000 1.047 32 V CA -0.740 61.555 62.300 -0.008 0.000 0.880 32 V CB 2.078 33.898 31.823 -0.004 0.000 1.009 32 V HN 0.534 nan 8.190 nan 0.000 0.429 33 L N 5.611 126.832 121.223 -0.005 0.000 2.410 33 L HA 0.651 4.991 4.340 -0.000 0.000 0.273 33 L C 0.649 177.519 176.870 -0.000 0.000 1.152 33 L CA 1.154 55.994 54.840 -0.000 0.000 0.855 33 L CB 1.241 43.303 42.059 0.004 0.000 1.129 33 L HN 0.985 nan 8.230 nan 0.000 0.463 34 T N 0.887 115.440 114.554 -0.001 0.000 2.907 34 T HA 0.268 4.618 4.350 -0.000 0.000 0.290 34 T C 0.796 175.497 174.700 0.002 0.000 1.066 34 T CA -0.161 61.940 62.100 0.002 0.000 1.012 34 T CB 1.169 70.038 68.868 0.002 0.000 1.184 34 T HN 0.336 nan 8.240 nan 0.000 0.522 35 V N 0.745 120.662 119.914 0.005 0.000 2.469 35 V HA -0.115 4.005 4.120 -0.000 0.000 0.251 35 V C 1.773 177.865 176.094 -0.003 0.000 1.064 35 V CA 2.296 64.598 62.300 0.004 0.000 1.066 35 V CB -0.938 30.891 31.823 0.010 0.000 0.667 35 V HN 0.916 nan 8.190 nan 0.000 0.461 36 D N 0.040 120.440 120.400 -0.000 0.000 2.378 36 D HA -0.091 4.549 4.640 -0.000 0.000 0.222 36 D C 1.500 177.797 176.300 -0.005 0.000 0.980 36 D CA 0.887 54.887 54.000 0.001 0.000 0.907 36 D CB -0.212 40.591 40.800 0.005 0.000 0.899 36 D HN 0.558 nan 8.370 nan 0.000 0.527 37 D N -0.240 120.150 120.400 -0.016 0.000 2.349 37 D HA 0.039 4.679 4.640 -0.000 0.000 0.215 37 D C 0.517 176.796 176.300 -0.036 0.000 1.016 37 D CA 0.163 54.142 54.000 -0.035 0.000 0.870 37 D CB 0.734 41.514 40.800 -0.034 0.000 0.917 37 D HN 0.239 nan 8.370 nan 0.000 0.524 38 L N 1.040 122.244 121.223 -0.032 0.000 2.307 38 L HA 0.479 4.819 4.340 -0.000 0.000 0.284 38 L C -0.147 176.667 176.870 -0.092 0.000 1.023 38 L CA -0.587 54.216 54.840 -0.061 0.000 0.810 38 L CB 2.143 44.172 42.059 -0.050 0.000 1.231 38 L HN -0.323 nan 8.230 nan 0.000 0.423 39 I N 3.834 124.315 120.570 -0.148 0.000 2.436 39 I HA 0.280 4.450 4.170 -0.000 0.000 0.289 39 I C -0.774 175.156 176.117 -0.311 0.000 1.010 39 I CA -0.637 60.539 61.300 -0.208 0.000 1.098 39 I CB 2.345 40.221 38.000 -0.207 0.000 1.266 39 I HN 0.362 nan 8.210 nan 0.000 0.434 40 L N 9.937 130.945 121.223 -0.358 0.000 2.260 40 L HA 0.559 4.899 4.340 -0.000 0.000 0.289 40 L C -2.462 174.127 176.870 -0.468 0.000 1.057 40 L CA -1.637 52.917 54.840 -0.476 0.000 0.811 40 L CB 0.547 42.209 42.059 -0.662 0.000 1.184 40 L HN 0.248 nan 8.230 nan 0.000 0.429 41 P HA 0.276 nan 4.420 nan 0.000 0.280 41 P C -1.382 175.717 177.300 -0.334 0.000 1.244 41 P CA -0.196 62.692 63.100 -0.354 0.000 0.784 41 P CB 1.269 32.599 31.700 -0.617 0.000 0.913 42 V N 3.650 123.445 119.914 -0.199 0.000 2.686 42 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 42 V C -0.522 175.496 176.094 -0.128 0.000 1.065 42 V CA -0.512 61.685 62.300 -0.172 0.000 0.894 42 V CB 1.449 33.233 31.823 -0.064 0.000 1.004 42 V HN 0.290 nan 8.190 nan 0.000 0.424 43 F N 3.031 123.085 119.950 0.173 0.000 2.411 43 F HA 0.621 5.148 4.527 -0.000 0.000 0.350 43 F C 0.230 176.084 175.800 0.091 0.000 1.114 43 F CA -0.656 57.417 58.000 0.120 0.000 1.135 43 F CB 1.556 40.568 39.000 0.020 0.000 1.120 43 F HN 0.172 nan 8.300 nan 0.000 0.495 44 V N 5.419 125.480 119.914 0.245 0.000 2.409 44 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 44 V C -0.021 176.143 176.094 0.117 0.000 1.020 44 V CA -0.843 61.549 62.300 0.153 0.000 0.848 44 V CB 1.481 33.370 31.823 0.109 0.000 0.990 44 V HN 0.570 nan 8.190 nan 0.000 0.430 45 L N 2.506 123.784 121.223 0.092 0.000 2.399 45 L HA 0.551 4.891 4.340 -0.000 0.000 0.265 45 L C 0.324 177.225 176.870 0.051 0.000 1.089 45 L CA -0.544 54.331 54.840 0.059 0.000 0.802 45 L CB 1.134 43.220 42.059 0.044 0.000 1.180 45 L HN 0.539 nan 8.230 nan 0.000 0.454 46 D N -0.012 120.411 120.400 0.038 0.000 2.371 46 D HA 0.489 5.129 4.640 -0.000 0.000 0.242 46 D C 0.402 176.718 176.300 0.025 0.000 1.218 46 D CA 1.298 55.318 54.000 0.032 0.000 0.945 46 D CB 1.114 41.930 40.800 0.027 0.000 1.137 46 D HN 0.732 nan 8.370 nan 0.000 0.464 47 G N -0.951 107.862 108.800 0.021 0.000 2.587 47 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.212 47 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.212 47 G C -1.224 173.686 174.900 0.018 0.000 1.327 47 G CA -0.250 44.859 45.100 0.016 0.000 0.898 47 G HN 0.722 nan 8.290 nan 0.000 0.551 48 V N 0.752 120.674 119.914 0.014 0.000 2.841 48 V HA 0.679 4.799 4.120 -0.000 0.000 0.310 48 V C 0.508 176.609 176.094 0.012 0.000 1.090 48 V CA 0.048 62.356 62.300 0.013 0.000 0.930 48 V CB 1.791 33.619 31.823 0.009 0.000 1.014 48 V HN 1.363 nan 8.190 nan 0.000 0.425 49 N N 1.949 120.656 118.700 0.012 0.000 2.747 49 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 49 N C -0.114 175.403 175.510 0.013 0.000 1.107 49 N CA 0.769 53.825 53.050 0.011 0.000 0.707 49 N CB -0.352 38.139 38.487 0.007 0.000 1.054 49 N HN 0.743 nan 8.380 nan 0.000 0.555 50 Q N 0.499 120.310 119.800 0.019 0.000 2.271 50 Q HA 0.476 4.816 4.340 -0.000 0.000 0.258 50 Q C 0.190 176.207 176.000 0.029 0.000 0.936 50 Q CA -0.010 55.805 55.803 0.020 0.000 0.909 50 Q CB 1.821 30.571 28.738 0.020 0.000 1.253 50 Q HN 0.191 nan 8.270 nan 0.000 0.440 51 R N 1.692 122.207 120.500 0.026 0.000 2.531 51 R HA 0.352 4.692 4.340 -0.000 0.000 0.293 51 R C -0.900 175.414 176.300 0.024 0.000 1.124 51 R CA -0.324 55.797 56.100 0.035 0.000 0.945 51 R CB 1.774 32.095 30.300 0.035 0.000 1.195 51 R HN 0.525 nan 8.270 nan 0.000 0.433 52 E N 1.702 121.916 120.200 0.022 0.000 2.191 52 E HA 0.210 4.560 4.350 -0.000 0.000 0.263 52 E C -0.438 176.159 176.600 -0.005 0.000 0.881 52 E CA -0.723 55.677 56.400 0.000 0.000 0.757 52 E CB 2.067 31.755 29.700 -0.019 0.000 1.147 52 E HN 0.570 nan 8.360 nan 0.000 0.414 53 S N 2.635 118.331 115.700 -0.007 0.000 2.584 53 S HA 0.343 4.813 4.470 -0.000 0.000 0.270 53 S C 0.195 174.766 174.600 -0.047 0.000 1.346 53 S CA -0.418 57.776 58.200 -0.010 0.000 1.018 53 S CB 0.467 63.667 63.200 -0.000 0.000 0.899 53 S HN 0.434 nan 8.310 nan 0.000 0.542 54 I N 2.204 122.739 120.570 -0.058 0.000 2.439 54 I HA 0.309 4.479 4.170 -0.000 0.000 0.283 54 I C -1.972 174.108 176.117 -0.062 0.000 1.023 54 I CA -2.359 58.878 61.300 -0.105 0.000 1.100 54 I CB 2.213 40.101 38.000 -0.187 0.000 1.238 54 I HN 0.441 nan 8.210 nan 0.000 0.445 55 P HA -0.192 nan 4.420 nan 0.000 0.215 55 P C 1.432 178.719 177.300 -0.021 0.000 1.157 55 P CA 1.366 64.447 63.100 -0.032 0.000 0.874 55 P CB 0.146 31.825 31.700 -0.035 0.000 0.790 56 S N -2.370 113.309 115.700 -0.034 0.000 2.561 56 S HA 0.062 4.532 4.470 -0.000 0.000 0.225 56 S C 0.975 175.586 174.600 0.019 0.000 0.977 56 S CA 0.465 58.658 58.200 -0.012 0.000 0.926 56 S CB -0.816 62.370 63.200 -0.023 0.000 0.769 56 S HN 0.064 nan 8.310 nan 0.000 0.533 57 M N 1.948 121.554 119.600 0.011 0.000 2.389 57 M HA 0.391 4.871 4.480 -0.000 0.000 0.206 57 M C -3.103 173.291 176.300 0.156 0.000 0.976 57 M CA -1.839 53.516 55.300 0.092 0.000 0.648 57 M CB 1.576 34.110 32.600 -0.110 0.000 1.474 57 M HN -0.159 nan 8.290 nan 0.000 0.398 58 P HA 0.098 nan 4.420 nan 0.000 0.264 58 P C 1.070 178.497 177.300 0.211 0.000 1.193 58 P CA 1.278 64.455 63.100 0.128 0.000 0.763 58 P CB 0.638 32.381 31.700 0.071 0.000 0.810 59 G N 1.278 110.166 108.800 0.146 0.000 2.199 59 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 59 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 59 G C -0.055 174.928 174.900 0.139 0.000 0.982 59 G CA -0.094 45.105 45.100 0.166 0.000 0.632 59 G HN 0.536 nan 8.290 nan 0.000 0.529 60 V N 1.238 121.200 119.914 0.080 0.000 2.427 60 V HA 0.604 4.724 4.120 -0.000 0.000 0.286 60 V C 0.131 176.265 176.094 0.066 0.000 1.034 60 V CA -0.637 61.682 62.300 0.031 0.000 0.893 60 V CB 1.699 33.454 31.823 -0.112 0.000 0.982 60 V HN 0.348 nan 8.190 nan 0.000 0.452 61 E N 3.488 123.760 120.200 0.120 0.000 2.212 61 E HA 0.512 4.862 4.350 -0.000 0.000 0.268 61 E C -0.757 175.944 176.600 0.168 0.000 0.902 61 E CA -0.961 55.506 56.400 0.111 0.000 0.779 61 E CB 2.452 32.217 29.700 0.108 0.000 1.172 61 E HN 0.539 nan 8.360 nan 0.000 0.409 62 R N 1.653 122.221 120.500 0.112 0.000 2.543 62 R HA 0.374 4.714 4.340 -0.000 0.000 0.277 62 R C -0.356 176.020 176.300 0.126 0.000 1.074 62 R CA 0.102 56.288 56.100 0.142 0.000 1.076 62 R CB 0.414 30.739 30.300 0.042 0.000 0.993 62 R HN 0.304 nan 8.270 nan 0.000 0.459 63 L N 1.537 122.849 121.223 0.147 0.000 2.438 63 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 63 L C 0.085 177.013 176.870 0.097 0.000 0.972 63 L CA -0.885 54.026 54.840 0.118 0.000 0.831 63 L CB 2.202 44.351 42.059 0.151 0.000 1.273 63 L HN 0.771 nan 8.230 nan 0.000 0.405 64 S N 1.599 117.339 115.700 0.066 0.000 2.580 64 S HA 0.252 4.722 4.470 -0.000 0.000 0.266 64 S C 1.232 175.867 174.600 0.058 0.000 1.354 64 S CA -0.499 57.733 58.200 0.055 0.000 1.008 64 S CB 0.889 64.111 63.200 0.037 0.000 0.898 64 S HN 0.538 nan 8.310 nan 0.000 0.555 65 I N 1.453 122.055 120.570 0.052 0.000 2.264 65 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 65 I C 2.387 178.532 176.117 0.046 0.000 1.111 65 I CA 1.713 63.046 61.300 0.055 0.000 1.382 65 I CB -0.626 37.401 38.000 0.046 0.000 1.060 65 I HN 0.823 nan 8.210 nan 0.000 0.418 66 D N 0.579 120.998 120.400 0.031 0.000 2.123 66 D HA -0.243 4.397 4.640 -0.000 0.000 0.196 66 D C 1.850 178.159 176.300 0.015 0.000 0.992 66 D CA 1.273 55.285 54.000 0.020 0.000 0.833 66 D CB -0.549 40.258 40.800 0.011 0.000 0.954 66 D HN 0.364 nan 8.370 nan 0.000 0.455 67 Q N -0.027 119.784 119.800 0.018 0.000 2.123 67 Q HA 0.001 4.341 4.340 -0.000 0.000 0.199 67 Q C 2.468 178.456 176.000 -0.019 0.000 0.966 67 Q CA 0.254 56.058 55.803 0.002 0.000 0.845 67 Q CB -0.521 28.228 28.738 0.019 0.000 0.907 67 Q HN 0.328 nan 8.270 nan 0.000 0.439 68 L N 0.680 121.919 121.223 0.026 0.000 2.012 68 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 68 L C 2.100 178.957 176.870 -0.021 0.000 1.073 68 L CA 1.513 56.377 54.840 0.040 0.000 0.748 68 L CB -0.698 41.438 42.059 0.128 0.000 0.891 68 L HN 0.131 nan 8.230 nan 0.000 0.431 69 L N -1.053 120.205 121.223 0.058 0.000 2.042 69 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 69 L C 2.512 179.445 176.870 0.104 0.000 1.076 69 L CA 1.565 56.504 54.840 0.163 0.000 0.749 69 L CB -0.522 41.608 42.059 0.117 0.000 0.893 69 L HN 0.304 nan 8.230 nan 0.000 0.432 70 I N -0.644 119.914 120.570 -0.020 0.000 2.163 70 I HA -0.231 3.939 4.170 -0.000 0.000 0.240 70 I C 2.604 178.581 176.117 -0.233 0.000 1.081 70 I CA 1.056 62.313 61.300 -0.071 0.000 1.353 70 I CB -0.321 37.641 38.000 -0.064 0.000 1.054 70 I HN 0.235 nan 8.210 nan 0.000 0.407 71 E N 1.020 120.976 120.200 -0.407 0.000 2.110 71 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 71 E C 2.258 178.022 176.600 -1.393 0.000 0.988 71 E CA 1.397 57.292 56.400 -0.841 0.000 0.804 71 E CB -0.375 28.751 29.700 -0.956 0.000 0.745 71 E HN 0.503 nan 8.360 nan 0.000 0.458 72 A N 1.168 123.332 122.820 -1.093 0.000 2.125 72 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 72 A C 2.064 179.167 177.584 -0.802 0.000 1.156 72 A CA 1.456 52.960 52.037 -0.889 0.000 0.671 72 A CB -0.442 18.215 19.000 -0.571 0.000 0.794 72 A HN 0.281 nan 8.150 nan 0.000 0.459 73 E N -0.344 119.579 120.200 -0.463 0.000 2.051 73 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 73 E C 1.950 178.434 176.600 -0.193 0.000 0.991 73 E CA 1.494 57.785 56.400 -0.182 0.000 0.799 73 E CB -0.075 29.632 29.700 0.012 0.000 0.748 73 E HN 0.605 nan 8.360 nan 0.000 0.449 74 E N -0.177 119.856 120.200 -0.278 0.000 2.106 74 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 74 E C 1.576 178.168 176.600 -0.015 0.000 0.984 74 E CA 1.305 57.621 56.400 -0.141 0.000 0.806 74 E CB -0.271 29.354 29.700 -0.125 0.000 0.750 74 E HN 0.385 nan 8.360 nan 0.000 0.458 75 W N 0.103 121.332 121.300 -0.118 0.000 2.358 75 W HA -0.073 4.587 4.660 -0.000 0.000 0.303 75 W C 2.147 178.583 176.519 -0.138 0.000 1.208 75 W CA 0.707 57.978 57.345 -0.125 0.000 1.274 75 W CB -1.257 28.109 29.460 -0.157 0.000 1.138 75 W HN 0.016 nan 8.180 nan 0.000 0.515 76 V N 1.023 120.933 119.914 -0.006 0.000 2.358 76 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 76 V C 2.581 178.682 176.094 0.012 0.000 1.047 76 V CA 2.257 64.531 62.300 -0.045 0.000 1.035 76 V CB -1.575 30.157 31.823 -0.153 0.000 0.658 76 V HN 0.125 nan 8.190 nan 0.000 0.452 77 A N -0.284 122.542 122.820 0.010 0.000 1.978 77 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 77 A C 2.136 179.743 177.584 0.040 0.000 1.170 77 A CA 1.637 53.691 52.037 0.028 0.000 0.636 77 A CB -0.549 18.463 19.000 0.021 0.000 0.810 77 A HN 0.532 nan 8.150 nan 0.000 0.448 78 L N -1.380 119.878 121.223 0.057 0.000 2.465 78 L HA 0.087 4.427 4.340 -0.000 0.000 0.224 78 L C 1.793 178.692 176.870 0.047 0.000 1.145 78 L CA 0.618 55.495 54.840 0.063 0.000 0.834 78 L CB -0.302 41.816 42.059 0.098 0.000 0.944 78 L HN 0.613 nan 8.230 nan 0.000 0.451 79 G N 0.487 109.311 108.800 0.040 0.000 2.157 79 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.248 79 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.248 79 G C 0.294 175.204 174.900 0.018 0.000 0.979 79 G CA -0.284 44.833 45.100 0.028 0.000 0.650 79 G HN 0.279 nan 8.290 nan 0.000 0.529 80 I N 2.038 122.620 120.570 0.019 0.000 2.752 80 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 80 I C -0.039 176.065 176.117 -0.021 0.000 1.180 80 I CA -1.113 60.178 61.300 -0.014 0.000 1.404 80 I CB 0.908 38.880 38.000 -0.046 0.000 1.389 80 I HN -0.010 nan 8.210 nan 0.000 0.549 81 P HA -0.010 nan 4.420 nan 0.000 0.221 81 P C 0.036 177.316 177.300 -0.035 0.000 1.150 81 P CA 0.835 63.925 63.100 -0.017 0.000 0.800 81 P CB 0.383 32.080 31.700 -0.005 0.000 0.787 82 A N -1.043 121.736 122.820 -0.068 0.000 2.594 82 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 82 A C -1.380 176.115 177.584 -0.148 0.000 1.071 82 A CA -0.659 51.322 52.037 -0.093 0.000 0.685 82 A CB 0.709 19.649 19.000 -0.100 0.000 1.285 82 A HN -0.050 nan 8.150 nan 0.000 0.405 83 L N 0.728 121.863 121.223 -0.147 0.000 2.334 83 L HA 0.794 5.134 4.340 -0.000 0.000 0.273 83 L C 0.358 177.104 176.870 -0.206 0.000 1.013 83 L CA -0.846 53.874 54.840 -0.201 0.000 0.816 83 L CB 1.993 43.968 42.059 -0.139 0.000 1.278 83 L HN 0.859 nan 8.230 nan 0.000 0.431 84 A N 3.666 126.345 122.820 -0.236 0.000 2.287 84 A HA 0.712 5.032 4.320 -0.000 0.000 0.317 84 A C -0.635 176.747 177.584 -0.336 0.000 1.220 84 A CA -0.495 51.382 52.037 -0.267 0.000 0.835 84 A CB 0.583 19.477 19.000 -0.176 0.000 1.180 84 A HN 0.637 nan 8.150 nan 0.000 0.500 85 L N 1.985 122.929 121.223 -0.464 0.000 2.312 85 L HA 0.523 4.863 4.340 -0.000 0.000 0.281 85 L C -1.170 175.286 176.870 -0.690 0.000 1.070 85 L CA -0.154 54.459 54.840 -0.377 0.000 0.805 85 L CB 0.797 42.717 42.059 -0.233 0.000 1.174 85 L HN 0.657 nan 8.230 nan 0.000 0.434 86 F N 3.644 123.584 119.950 -0.016 0.000 2.532 86 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 86 F C -2.079 173.787 175.800 0.110 0.000 1.112 86 F CA -2.226 55.825 58.000 0.086 0.000 1.082 86 F CB 1.198 40.289 39.000 0.152 0.000 1.319 86 F HN 0.257 nan 8.300 nan 0.000 0.457 87 P HA 0.053 nan 4.420 nan 0.000 0.268 87 P C -0.351 177.007 177.300 0.097 0.000 1.205 87 P CA -0.023 63.154 63.100 0.128 0.000 0.771 87 P CB 1.651 33.427 31.700 0.126 0.000 0.858 88 V N 3.998 123.956 119.914 0.074 0.000 2.322 88 V HA 0.094 4.214 4.120 -0.000 0.000 0.258 88 V C 0.802 176.888 176.094 -0.014 0.000 1.074 88 V CA -0.017 62.280 62.300 -0.005 0.000 0.909 88 V CB -0.225 31.587 31.823 -0.018 0.000 1.090 88 V HN 0.523 nan 8.190 nan 0.000 0.486 89 T N 7.919 122.442 114.554 -0.053 0.000 2.870 89 T HA 0.224 4.574 4.350 -0.000 0.000 0.300 89 T C -2.162 172.530 174.700 -0.014 0.000 0.989 89 T CA -0.645 61.445 62.100 -0.016 0.000 1.139 89 T CB 0.802 69.623 68.868 -0.077 0.000 0.920 89 T HN 0.411 nan 8.240 nan 0.000 0.537 90 P HA 0.050 nan 4.420 nan 0.000 0.265 90 P C 1.036 178.333 177.300 -0.005 0.000 1.193 90 P CA -0.174 62.926 63.100 0.001 0.000 0.765 90 P CB 0.430 32.138 31.700 0.012 0.000 0.823 91 V N 3.307 123.208 119.914 -0.021 0.000 2.380 91 V HA -0.261 3.859 4.120 -0.000 0.000 0.251 91 V C 2.260 178.345 176.094 -0.015 0.000 1.063 91 V CA 2.284 64.568 62.300 -0.028 0.000 1.055 91 V CB -1.099 30.701 31.823 -0.039 0.000 0.657 91 V HN 0.727 nan 8.190 nan 0.000 0.455 92 E N 0.994 121.189 120.200 -0.008 0.000 2.268 92 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 92 E C 1.759 178.363 176.600 0.005 0.000 0.995 92 E CA 1.285 57.683 56.400 -0.004 0.000 0.836 92 E CB -0.258 29.440 29.700 -0.004 0.000 0.763 92 E HN 0.590 nan 8.360 nan 0.000 0.491 93 K N 0.746 121.156 120.400 0.018 0.000 2.444 93 K HA 0.110 4.430 4.320 -0.000 0.000 0.193 93 K C 0.368 177.003 176.600 0.060 0.000 1.024 93 K CA 0.039 56.347 56.287 0.035 0.000 1.077 93 K CB 0.334 32.866 32.500 0.054 0.000 0.833 93 K HN 0.018 nan 8.250 nan 0.000 0.517 94 K N 1.530 121.958 120.400 0.047 0.000 2.270 94 K HA 0.137 4.457 4.320 -0.000 0.000 0.276 94 K C 0.066 176.688 176.600 0.036 0.000 1.023 94 K CA -0.157 56.163 56.287 0.056 0.000 0.955 94 K CB 1.284 33.794 32.500 0.017 0.000 0.975 94 K HN 0.017 nan 8.250 nan 0.000 0.471 95 S N 1.233 116.961 115.700 0.047 0.000 2.615 95 S HA 0.190 4.660 4.470 -0.000 0.000 0.269 95 S C 0.188 174.812 174.600 0.039 0.000 1.161 95 S CA -0.945 57.273 58.200 0.030 0.000 0.817 95 S CB 0.781 63.988 63.200 0.012 0.000 1.131 95 S HN 0.468 nan 8.310 nan 0.000 0.467 96 L N 1.397 122.640 121.223 0.034 0.000 2.042 96 L HA 0.003 4.343 4.340 -0.000 0.000 0.210 96 L C 1.822 178.715 176.870 0.038 0.000 1.076 96 L CA 2.829 57.691 54.840 0.038 0.000 0.749 96 L CB -0.868 41.211 42.059 0.033 0.000 0.893 96 L HN 0.944 nan 8.230 nan 0.000 0.432 97 D N -0.829 119.592 120.400 0.034 0.000 2.350 97 D HA 0.105 4.745 4.640 -0.000 0.000 0.213 97 D C 1.194 177.520 176.300 0.044 0.000 1.031 97 D CA 0.701 54.726 54.000 0.042 0.000 0.861 97 D CB -0.218 40.611 40.800 0.049 0.000 0.926 97 D HN 0.372 nan 8.370 nan 0.000 0.520 98 A N -0.106 122.734 122.820 0.032 0.000 2.872 98 A HA -0.158 4.162 4.320 -0.000 0.000 0.273 98 A C 1.828 179.314 177.584 -0.164 0.000 1.442 98 A CA 1.109 53.163 52.037 0.027 0.000 0.801 98 A CB -2.254 16.808 19.000 0.104 0.000 1.031 98 A HN 0.774 nan 8.150 nan 0.000 0.582 99 A N -0.663 122.022 122.820 -0.225 0.000 2.024 99 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 99 A C 1.702 178.725 177.584 -0.935 0.000 1.164 99 A CA 2.249 53.919 52.037 -0.611 0.000 0.643 99 A CB -0.306 18.512 19.000 -0.303 0.000 0.806 99 A HN 1.084 nan 8.150 nan 0.000 0.451 100 E N 0.369 120.241 120.200 -0.546 0.000 2.209 100 E HA -0.091 4.258 4.350 -0.000 0.000 0.196 100 E C 1.915 177.905 176.600 -1.017 0.000 0.993 100 E CA 1.272 57.338 56.400 -0.557 0.000 0.819 100 E CB -0.488 29.113 29.700 -0.164 0.000 0.745 100 E HN 0.524 nan 8.360 nan 0.000 0.477 101 A N 0.055 122.060 122.820 -1.359 0.000 1.948 101 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 101 A C 1.741 178.958 177.584 -0.610 0.000 1.177 101 A CA 1.859 53.076 52.037 -1.366 0.000 0.636 101 A CB -0.884 17.750 19.000 -0.610 0.000 0.815 101 A HN 0.598 nan 8.150 nan 0.000 0.449 102 Y N -2.142 117.929 120.300 -0.381 0.000 2.555 102 Y HA 0.422 4.972 4.550 -0.000 0.000 0.259 102 Y C 0.271 176.073 175.900 -0.163 0.000 1.179 102 Y CA -1.268 56.686 58.100 -0.242 0.000 1.230 102 Y CB -0.857 37.487 38.460 -0.194 0.000 1.146 102 Y HN 0.171 nan 8.280 nan 0.000 0.526 103 N N 3.856 122.388 118.700 -0.279 0.000 2.452 103 N HA 0.072 4.812 4.740 -0.000 0.000 0.266 103 N C -1.912 173.572 175.510 -0.044 0.000 1.209 103 N CA -2.217 50.744 53.050 -0.148 0.000 0.929 103 N CB 1.288 39.655 38.487 -0.199 0.000 1.063 103 N HN 0.043 nan 8.380 nan 0.000 0.472 104 P HA -0.032 nan 4.420 nan 0.000 0.228 104 P C -0.021 177.285 177.300 0.009 0.000 1.151 104 P CA 1.040 64.150 63.100 0.017 0.000 0.770 104 P CB 0.387 32.100 31.700 0.023 0.000 0.786 105 E N -0.633 119.565 120.200 -0.004 0.000 2.499 105 E HA 0.208 4.558 4.350 -0.000 0.000 0.199 105 E C 1.120 177.721 176.600 0.002 0.000 1.016 105 E CA -0.124 56.276 56.400 0.000 0.000 0.933 105 E CB 0.086 29.785 29.700 -0.002 0.000 1.050 105 E HN 0.116 nan 8.360 nan 0.000 0.462 106 G N 0.885 109.682 108.800 -0.005 0.000 2.636 106 G HA2 0.139 4.099 3.960 -0.000 0.000 0.246 106 G HA3 0.139 4.099 3.960 -0.000 0.000 0.246 106 G C 1.224 176.154 174.900 0.051 0.000 1.216 106 G CA -0.518 44.593 45.100 0.018 0.000 0.854 106 G HN 0.071 nan 8.290 nan 0.000 0.572 107 I N 1.219 121.841 120.570 0.086 0.000 2.163 107 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 107 I C 3.096 179.247 176.117 0.056 0.000 1.085 107 I CA 1.785 63.130 61.300 0.076 0.000 1.347 107 I CB -0.178 37.878 38.000 0.093 0.000 1.044 107 I HN 0.552 nan 8.210 nan 0.000 0.408 108 A N -0.032 122.830 122.820 0.071 0.000 1.902 108 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 108 A C 2.195 179.748 177.584 -0.052 0.000 1.181 108 A CA 1.661 53.689 52.037 -0.015 0.000 0.623 108 A CB -0.547 18.435 19.000 -0.030 0.000 0.818 108 A HN 0.388 nan 8.150 nan 0.000 0.443 109 Q N -0.383 119.422 119.800 0.008 0.000 2.046 109 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 109 Q C 2.284 178.289 176.000 0.009 0.000 0.975 109 Q CA 1.767 57.582 55.803 0.021 0.000 0.836 109 Q CB -0.246 28.524 28.738 0.053 0.000 0.896 109 Q HN 0.647 nan 8.270 nan 0.000 0.428 110 R N -0.072 120.438 120.500 0.016 0.000 2.073 110 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 110 R C 2.259 178.568 176.300 0.015 0.000 1.134 110 R CA 1.284 57.394 56.100 0.016 0.000 0.952 110 R CB -0.529 29.783 30.300 0.021 0.000 0.850 110 R HN 0.274 nan 8.270 nan 0.000 0.433 111 A N 0.404 123.233 122.820 0.015 0.000 1.902 111 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 111 A C 2.193 179.786 177.584 0.015 0.000 1.181 111 A CA 1.961 54.011 52.037 0.023 0.000 0.623 111 A CB -0.865 18.149 19.000 0.022 0.000 0.818 111 A HN 0.291 nan 8.150 nan 0.000 0.443 112 T N -0.031 114.513 114.554 -0.017 0.000 2.652 112 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 112 T C 2.050 176.750 174.700 0.000 0.000 1.039 112 T CA 1.690 63.774 62.100 -0.026 0.000 1.153 112 T CB -0.301 68.525 68.868 -0.069 0.000 0.863 112 T HN 0.526 nan 8.240 nan 0.000 0.428 113 R N 1.002 121.503 120.500 0.002 0.000 2.105 113 R HA -0.023 4.317 4.340 -0.000 0.000 0.239 113 R C 2.796 179.101 176.300 0.008 0.000 1.135 113 R CA 1.339 57.442 56.100 0.005 0.000 0.967 113 R CB -0.538 29.765 30.300 0.005 0.000 0.861 113 R HN 0.389 nan 8.270 nan 0.000 0.442 114 A N 1.299 124.128 122.820 0.014 0.000 1.873 114 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 114 A C 2.219 179.821 177.584 0.031 0.000 1.186 114 A CA 1.068 53.113 52.037 0.014 0.000 0.616 114 A CB -0.468 18.547 19.000 0.024 0.000 0.823 114 A HN 0.156 nan 8.150 nan 0.000 0.442 115 L N -0.988 120.284 121.223 0.081 0.000 2.093 115 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 115 L C 2.797 179.749 176.870 0.135 0.000 1.085 115 L CA 0.861 55.807 54.840 0.176 0.000 0.755 115 L CB -0.413 41.757 42.059 0.186 0.000 0.904 115 L HN 0.234 nan 8.230 nan 0.000 0.435 116 R N -0.115 120.425 120.500 0.065 0.000 2.096 116 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 116 R C 2.090 178.399 176.300 0.015 0.000 1.127 116 R CA 1.026 57.152 56.100 0.044 0.000 0.968 116 R CB -0.588 29.724 30.300 0.021 0.000 0.861 116 R HN 0.404 nan 8.270 nan 0.000 0.440 117 E N 0.846 121.037 120.200 -0.014 0.000 2.047 117 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 117 E C 1.927 178.454 176.600 -0.122 0.000 0.987 117 E CA 1.063 57.432 56.400 -0.053 0.000 0.799 117 E CB 0.091 29.760 29.700 -0.053 0.000 0.752 117 E HN 0.005 nan 8.360 nan 0.000 0.449 118 R N -0.677 119.701 120.500 -0.204 0.000 2.119 118 R HA -0.010 4.330 4.340 -0.000 0.000 0.222 118 R C 0.200 176.063 176.300 -0.728 0.000 1.088 118 R CA 0.900 56.692 56.100 -0.514 0.000 0.984 118 R CB -0.061 29.826 30.300 -0.688 0.000 0.884 118 R HN 0.016 nan 8.270 nan 0.000 0.447 119 F N -0.095 119.857 119.950 0.003 0.000 2.622 119 F HA 0.420 4.947 4.527 -0.000 0.000 0.338 119 F C -1.925 173.880 175.800 0.009 0.000 1.334 119 F CA -2.632 55.374 58.000 0.009 0.000 1.179 119 F CB 1.920 40.932 39.000 0.021 0.000 1.471 119 F HN -0.052 nan 8.300 nan 0.000 0.576 120 P HA -0.152 nan 4.420 nan 0.000 0.219 120 P C 1.289 178.634 177.300 0.075 0.000 1.146 120 P CA 1.347 64.488 63.100 0.068 0.000 0.808 120 P CB 0.393 32.112 31.700 0.031 0.000 0.779 121 E N -1.139 119.118 120.200 0.095 0.000 2.442 121 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 121 E C 0.603 177.243 176.600 0.066 0.000 1.030 121 E CA -0.077 56.365 56.400 0.071 0.000 0.869 121 E CB -0.350 29.390 29.700 0.067 0.000 0.857 121 E HN 0.217 nan 8.360 nan 0.000 0.505 122 L N 1.338 122.617 121.223 0.094 0.000 2.360 122 L HA 0.309 4.649 4.340 -0.000 0.000 0.276 122 L C 0.486 177.374 176.870 0.031 0.000 1.121 122 L CA -0.118 54.757 54.840 0.058 0.000 0.845 122 L CB 1.037 43.138 42.059 0.070 0.000 1.143 122 L HN -0.060 nan 8.230 nan 0.000 0.452 123 G N 6.409 115.206 108.800 -0.004 0.000 2.365 123 G HA2 0.410 4.370 3.960 -0.000 0.000 0.249 123 G HA3 0.410 4.370 3.960 -0.000 0.000 0.249 123 G C -0.438 174.433 174.900 -0.049 0.000 1.288 123 G CA -0.480 44.602 45.100 -0.031 0.000 0.887 123 G HN 0.519 nan 8.290 nan 0.000 0.524 124 I N 3.305 123.841 120.570 -0.057 0.000 2.382 124 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 124 I C -0.009 176.036 176.117 -0.121 0.000 1.002 124 I CA -1.038 60.213 61.300 -0.082 0.000 1.135 124 I CB 1.371 39.335 38.000 -0.060 0.000 1.288 124 I HN 0.312 nan 8.210 nan 0.000 0.448 125 I N 6.119 126.592 120.570 -0.161 0.000 2.307 125 I HA 0.223 4.393 4.170 -0.000 0.000 0.289 125 I C 0.777 176.752 176.117 -0.238 0.000 1.021 125 I CA -0.373 60.817 61.300 -0.183 0.000 1.224 125 I CB 1.496 39.374 38.000 -0.202 0.000 1.376 125 I HN 0.579 nan 8.210 nan 0.000 0.470 126 T N 0.533 114.953 114.554 -0.223 0.000 2.918 126 T HA 0.293 4.643 4.350 -0.000 0.000 0.283 126 T C -0.394 174.192 174.700 -0.190 0.000 1.001 126 T CA -0.810 61.097 62.100 -0.322 0.000 1.041 126 T CB 1.906 70.428 68.868 -0.577 0.000 1.028 126 T HN 0.401 nan 8.240 nan 0.000 0.511 127 D N 1.158 121.431 120.400 -0.212 0.000 2.359 127 D HA 0.326 4.966 4.640 -0.000 0.000 0.230 127 D C -0.686 175.718 176.300 0.173 0.000 1.118 127 D CA -0.526 53.440 54.000 -0.057 0.000 0.844 127 D CB 0.736 41.428 40.800 -0.179 0.000 1.059 127 D HN 0.392 nan 8.370 nan 0.000 0.493 128 V N 3.344 123.344 119.914 0.143 0.000 2.372 128 V HA 0.697 4.817 4.120 -0.000 0.000 0.261 128 V C 0.237 176.361 176.094 0.051 0.000 1.055 128 V CA -0.086 62.283 62.300 0.115 0.000 0.930 128 V CB 0.025 31.876 31.823 0.046 0.000 1.031 128 V HN 0.766 nan 8.190 nan 0.000 0.479 129 A N 4.703 127.590 122.820 0.110 0.000 2.582 129 A HA 0.652 4.972 4.320 -0.000 0.000 0.297 129 A C -0.242 177.459 177.584 0.196 0.000 1.059 129 A CA -0.531 51.553 52.037 0.077 0.000 0.705 129 A CB 1.106 20.137 19.000 0.051 0.000 1.279 129 A HN 0.584 nan 8.150 nan 0.000 0.404 130 L N 0.671 121.966 121.223 0.120 0.000 2.513 130 L HA 0.089 4.429 4.340 -0.000 0.000 0.222 130 L C 1.974 178.927 176.870 0.137 0.000 1.096 130 L CA 1.158 56.121 54.840 0.205 0.000 0.857 130 L CB -0.291 41.820 42.059 0.086 0.000 1.026 130 L HN 1.019 nan 8.230 nan 0.000 0.469 131 D N 0.889 121.304 120.400 0.025 0.000 2.190 131 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 131 D C -0.941 175.296 176.300 -0.105 0.000 0.992 131 D CA 0.964 54.955 54.000 -0.016 0.000 0.854 131 D CB -1.199 39.602 40.800 0.001 0.000 0.936 131 D HN 0.214 nan 8.370 nan 0.000 0.462 132 P HA 0.033 nan 4.420 nan 0.000 0.237 132 P C 0.194 177.044 177.300 -0.750 0.000 1.178 132 P CA 0.748 63.465 63.100 -0.638 0.000 0.766 132 P CB -0.036 31.014 31.700 -1.083 0.000 0.876 133 F N -2.050 117.909 119.950 0.015 0.000 2.784 133 F HA 0.153 4.680 4.527 -0.000 0.000 0.323 133 F C 1.301 177.093 175.800 -0.013 0.000 1.085 133 F CA -0.196 57.797 58.000 -0.011 0.000 1.196 133 F CB -1.037 37.944 39.000 -0.032 0.000 1.053 133 F HN -0.269 nan 8.300 nan 0.000 0.578 134 T N -1.907 112.714 114.554 0.112 0.000 2.868 134 T HA 0.192 4.542 4.350 -0.000 0.000 0.292 134 T C 1.535 176.266 174.700 0.052 0.000 1.028 134 T CA 0.237 62.385 62.100 0.079 0.000 1.059 134 T CB 1.424 70.329 68.868 0.063 0.000 0.991 134 T HN 0.259 nan 8.240 nan 0.000 0.531 135 T N -1.632 112.956 114.554 0.057 0.000 2.821 135 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 135 T C 1.394 176.073 174.700 -0.035 0.000 1.046 135 T CA 1.010 63.120 62.100 0.017 0.000 1.139 135 T CB -0.489 68.399 68.868 0.033 0.000 0.871 135 T HN 0.787 nan 8.240 nan 0.000 0.454 136 H N 0.264 119.341 119.070 0.011 0.000 2.755 136 H HA 0.349 4.905 4.556 -0.000 0.000 0.273 136 H C 1.814 177.150 175.328 0.013 0.000 1.055 136 H CA 0.362 56.417 56.048 0.012 0.000 1.191 136 H CB 0.564 30.337 29.762 0.018 0.000 1.536 136 H HN 0.629 nan 8.280 nan 0.000 0.529 137 G N 1.970 110.829 108.800 0.098 0.000 2.159 137 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.256 137 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.256 137 G C 0.554 175.501 174.900 0.079 0.000 0.977 137 G CA 0.453 45.593 45.100 0.068 0.000 0.652 137 G HN 0.504 nan 8.290 nan 0.000 0.531 138 Q N 0.521 120.373 119.800 0.087 0.000 2.428 138 Q HA 0.147 4.487 4.340 -0.000 0.000 0.276 138 Q C 0.668 176.658 176.000 -0.016 0.000 1.059 138 Q CA 0.825 56.658 55.803 0.051 0.000 0.923 138 Q CB 0.610 29.370 28.738 0.036 0.000 1.283 138 Q HN 0.269 nan 8.270 nan 0.000 0.447 139 D N 0.978 121.313 120.400 -0.110 0.000 2.310 139 D HA 0.086 4.726 4.640 -0.000 0.000 0.212 139 D C 0.459 176.603 176.300 -0.260 0.000 0.965 139 D CA 1.518 55.349 54.000 -0.281 0.000 0.879 139 D CB 0.185 40.471 40.800 -0.857 0.000 0.921 139 D HN 0.732 nan 8.370 nan 0.000 0.510 140 G N -1.063 107.618 108.800 -0.198 0.000 2.510 140 G HA2 0.293 4.253 3.960 -0.000 0.000 0.277 140 G HA3 0.293 4.253 3.960 -0.000 0.000 0.277 140 G C -1.382 173.464 174.900 -0.088 0.000 1.223 140 G CA -0.738 44.277 45.100 -0.141 0.000 0.887 140 G HN -0.014 nan 8.290 nan 0.000 0.485 141 I N 1.829 122.355 120.570 -0.074 0.000 2.416 141 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 141 I C 0.271 176.362 176.117 -0.044 0.000 1.051 141 I CA -0.162 61.117 61.300 -0.034 0.000 1.375 141 I CB 0.515 38.505 38.000 -0.016 0.000 1.407 141 I HN 0.236 nan 8.210 nan 0.000 0.516 142 L N 5.711 126.926 121.223 -0.014 0.000 2.312 142 L HA 0.245 4.585 4.340 -0.000 0.000 0.281 142 L C 0.488 177.380 176.870 0.036 0.000 1.070 142 L CA -0.846 53.996 54.840 0.003 0.000 0.805 142 L CB 1.156 43.224 42.059 0.016 0.000 1.174 142 L HN 0.603 nan 8.230 nan 0.000 0.434 143 D N 0.315 120.761 120.400 0.075 0.000 2.440 143 D HA -0.005 4.635 4.640 -0.000 0.000 0.269 143 D C 0.310 176.651 176.300 0.069 0.000 1.249 143 D CA -0.425 53.627 54.000 0.085 0.000 1.055 143 D CB 0.538 41.416 40.800 0.129 0.000 1.104 143 D HN 0.347 nan 8.370 nan 0.000 0.561 144 D N -1.371 119.064 120.400 0.057 0.000 2.371 144 D HA -0.029 4.611 4.640 -0.000 0.000 0.221 144 D C 0.273 176.600 176.300 0.044 0.000 0.986 144 D CA 0.552 54.577 54.000 0.042 0.000 0.899 144 D CB -0.064 40.755 40.800 0.031 0.000 0.902 144 D HN 0.321 nan 8.370 nan 0.000 0.530 145 D N -0.867 119.570 120.400 0.062 0.000 2.349 145 D HA 0.156 4.796 4.640 -0.000 0.000 0.214 145 D C 1.480 177.830 176.300 0.083 0.000 1.063 145 D CA 0.264 54.301 54.000 0.062 0.000 0.847 145 D CB 0.659 41.493 40.800 0.057 0.000 0.933 145 D HN 0.191 nan 8.370 nan 0.000 0.513 146 G N 1.092 109.944 108.800 0.086 0.000 2.143 146 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.249 146 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.249 146 G C 0.041 175.018 174.900 0.128 0.000 0.981 146 G CA 0.189 45.337 45.100 0.079 0.000 0.665 146 G HN 0.424 nan 8.290 nan 0.000 0.528 147 Y N 0.727 121.043 120.300 0.027 0.000 2.310 147 Y HA 0.543 5.093 4.550 -0.000 0.000 0.326 147 Y C 0.555 176.473 175.900 0.031 0.000 1.151 147 Y CA -0.862 57.263 58.100 0.041 0.000 1.195 147 Y CB 1.466 39.947 38.460 0.037 0.000 1.210 147 Y HN 0.164 nan 8.280 nan 0.000 0.483 148 V N 8.195 127.732 119.914 -0.627 0.000 2.415 148 V HA 0.041 4.161 4.120 -0.000 0.000 0.267 148 V C 0.202 175.928 176.094 -0.614 0.000 1.042 148 V CA -0.317 61.666 62.300 -0.528 0.000 1.000 148 V CB -0.240 31.275 31.823 -0.514 0.000 1.015 148 V HN 0.632 nan 8.190 nan 0.000 0.478 149 L N 4.606 125.697 121.223 -0.220 0.000 2.462 149 L HA 0.120 4.460 4.340 -0.000 0.000 0.272 149 L C 1.537 178.359 176.870 -0.079 0.000 1.166 149 L CA 0.166 54.977 54.840 -0.048 0.000 0.880 149 L CB 0.193 42.265 42.059 0.022 0.000 1.142 149 L HN 0.642 nan 8.230 nan 0.000 0.473 150 N N 1.539 120.234 118.700 -0.008 0.000 2.051 150 N HA -0.176 4.564 4.740 -0.000 0.000 0.192 150 N C 1.161 176.658 175.510 -0.022 0.000 1.049 150 N CA 1.673 54.710 53.050 -0.023 0.000 0.845 150 N CB 0.232 38.741 38.487 0.037 0.000 1.031 150 N HN 0.627 nan 8.380 nan 0.000 0.425 151 D N -0.562 119.840 120.400 0.003 0.000 2.149 151 D HA -0.057 4.583 4.640 -0.000 0.000 0.201 151 D C 2.044 178.336 176.300 -0.014 0.000 0.972 151 D CA 0.498 54.495 54.000 -0.004 0.000 0.835 151 D CB -0.423 40.381 40.800 0.006 0.000 0.966 151 D HN 0.082 nan 8.370 nan 0.000 0.476 152 V N 0.830 120.738 119.914 -0.009 0.000 2.343 152 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 152 V C 2.400 178.479 176.094 -0.025 0.000 1.051 152 V CA 1.691 63.983 62.300 -0.013 0.000 1.036 152 V CB -0.467 31.355 31.823 -0.002 0.000 0.654 152 V HN 0.152 nan 8.190 nan 0.000 0.451 153 S N -0.211 115.465 115.700 -0.040 0.000 2.368 153 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 153 S C 1.876 176.448 174.600 -0.046 0.000 1.030 153 S CA 1.500 59.669 58.200 -0.052 0.000 0.999 153 S CB -0.326 62.817 63.200 -0.096 0.000 0.844 153 S HN 0.513 nan 8.310 nan 0.000 0.459 154 I N 1.970 122.512 120.570 -0.046 0.000 2.264 154 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 154 I C 1.992 178.081 176.117 -0.045 0.000 1.111 154 I CA 1.120 62.394 61.300 -0.043 0.000 1.382 154 I CB -0.501 37.478 38.000 -0.034 0.000 1.060 154 I HN 0.182 nan 8.210 nan 0.000 0.418 155 D N 0.556 120.930 120.400 -0.044 0.000 2.133 155 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 155 D C 2.303 178.557 176.300 -0.077 0.000 0.997 155 D CA 1.342 55.307 54.000 -0.059 0.000 0.840 155 D CB -0.331 40.438 40.800 -0.053 0.000 0.947 155 D HN 0.203 nan 8.370 nan 0.000 0.452 156 V N 0.795 120.681 119.914 -0.046 0.000 2.453 156 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 156 V C 2.622 178.704 176.094 -0.021 0.000 1.048 156 V CA 0.854 63.144 62.300 -0.016 0.000 1.049 156 V CB -0.429 31.428 31.823 0.056 0.000 0.672 156 V HN 0.150 nan 8.190 nan 0.000 0.457 157 L N -0.390 120.812 121.223 -0.034 0.000 2.131 157 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 157 L C 2.437 179.258 176.870 -0.081 0.000 1.092 157 L CA 0.935 55.746 54.840 -0.047 0.000 0.759 157 L CB -0.624 41.409 42.059 -0.043 0.000 0.903 157 L HN 0.181 nan 8.230 nan 0.000 0.435 158 V N -0.284 119.581 119.914 -0.082 0.000 2.307 158 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 158 V C 2.597 178.615 176.094 -0.126 0.000 1.045 158 V CA 1.662 63.907 62.300 -0.091 0.000 1.024 158 V CB -0.530 31.247 31.823 -0.077 0.000 0.651 158 V HN 0.395 nan 8.190 nan 0.000 0.449 159 R N -0.365 120.037 120.500 -0.164 0.000 2.120 159 R HA -0.222 4.118 4.340 -0.000 0.000 0.234 159 R C 2.382 178.586 176.300 -0.160 0.000 1.123 159 R CA 1.712 57.670 56.100 -0.236 0.000 0.975 159 R CB -0.279 29.710 30.300 -0.518 0.000 0.866 159 R HN 0.638 nan 8.270 nan 0.000 0.446 160 Q N 0.452 120.171 119.800 -0.134 0.000 2.020 160 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 160 Q C 2.083 177.775 176.000 -0.513 0.000 0.974 160 Q CA 1.482 57.126 55.803 -0.266 0.000 0.829 160 Q CB -0.093 28.500 28.738 -0.242 0.000 0.894 160 Q HN 0.325 nan 8.270 nan 0.000 0.433 161 A N 1.114 123.729 122.820 -0.342 0.000 1.917 161 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 161 A C 2.098 179.560 177.584 -0.204 0.000 1.182 161 A CA 1.471 53.352 52.037 -0.260 0.000 0.633 161 A CB -0.857 18.069 19.000 -0.123 0.000 0.819 161 A HN 0.480 nan 8.150 nan 0.000 0.448 162 L N 0.304 121.429 121.223 -0.163 0.000 2.083 162 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 162 L C 3.046 179.840 176.870 -0.126 0.000 1.083 162 L CA 1.631 56.396 54.840 -0.125 0.000 0.752 162 L CB -0.471 41.554 42.059 -0.055 0.000 0.899 162 L HN 0.645 nan 8.230 nan 0.000 0.433 163 S N -1.555 114.077 115.700 -0.113 0.000 2.402 163 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 163 S C 1.741 176.363 174.600 0.037 0.000 1.021 163 S CA 0.945 59.123 58.200 -0.037 0.000 0.974 163 S CB -0.696 62.499 63.200 -0.008 0.000 0.800 163 S HN 0.540 nan 8.310 nan 0.000 0.484 164 H N 1.346 120.368 119.070 -0.081 0.000 2.357 164 H HA 0.158 4.714 4.556 -0.000 0.000 0.301 164 H C 2.690 177.936 175.328 -0.137 0.000 1.082 164 H CA 0.756 56.750 56.048 -0.090 0.000 1.342 164 H CB -0.249 29.465 29.762 -0.081 0.000 1.389 164 H HN 0.593 nan 8.280 nan 0.000 0.511 165 A N 1.404 124.160 122.820 -0.106 0.000 1.908 165 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 165 A C 2.080 179.499 177.584 -0.275 0.000 1.181 165 A CA 1.832 53.672 52.037 -0.329 0.000 0.627 165 A CB -0.392 18.123 19.000 -0.807 0.000 0.818 165 A HN 0.448 nan 8.150 nan 0.000 0.445 166 E N -0.359 119.728 120.200 -0.188 0.000 2.110 166 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 166 E C 2.061 178.664 176.600 0.006 0.000 0.988 166 E CA 0.996 57.386 56.400 -0.016 0.000 0.804 166 E CB -0.254 29.460 29.700 0.024 0.000 0.745 166 E HN 0.626 nan 8.360 nan 0.000 0.458 167 A N -0.127 122.694 122.820 0.002 0.000 2.167 167 A HA 0.186 4.506 4.320 -0.000 0.000 0.214 167 A C 1.740 179.322 177.584 -0.003 0.000 1.151 167 A CA 1.004 53.046 52.037 0.009 0.000 0.735 167 A CB -0.201 18.809 19.000 0.018 0.000 0.802 167 A HN 0.359 nan 8.150 nan 0.000 0.467 168 G N -2.409 106.382 108.800 -0.014 0.000 2.148 168 G HA2 0.172 4.132 3.960 -0.000 0.000 0.203 168 G HA3 0.172 4.132 3.960 -0.000 0.000 0.203 168 G C 0.337 175.223 174.900 -0.023 0.000 0.993 168 G CA 0.070 45.164 45.100 -0.010 0.000 0.661 168 G HN 1.512 nan 8.290 nan 0.000 0.518 169 A N -0.133 122.664 122.820 -0.039 0.000 2.520 169 A HA 0.573 4.893 4.320 -0.000 0.000 0.245 169 A C 1.278 178.834 177.584 -0.046 0.000 1.072 169 A CA 1.250 53.255 52.037 -0.053 0.000 0.761 169 A CB 0.298 19.255 19.000 -0.072 0.000 1.004 169 A HN 0.495 nan 8.150 nan 0.000 0.499 170 Q N 0.881 120.654 119.800 -0.044 0.000 2.311 170 Q HA 0.140 4.480 4.340 -0.000 0.000 0.203 170 Q C -0.172 175.796 176.000 -0.053 0.000 0.954 170 Q CA 0.955 56.735 55.803 -0.038 0.000 0.885 170 Q CB 0.124 28.844 28.738 -0.031 0.000 0.963 170 Q HN 0.526 nan 8.270 nan 0.000 0.471 171 V N 0.623 120.494 119.914 -0.072 0.000 2.686 171 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 171 V C -0.748 175.303 176.094 -0.071 0.000 1.065 171 V CA -1.221 61.027 62.300 -0.087 0.000 0.894 171 V CB 1.955 33.697 31.823 -0.135 0.000 1.004 171 V HN 0.003 nan 8.190 nan 0.000 0.424 172 V N 1.176 121.066 119.914 -0.040 0.000 2.513 172 V HA 1.010 5.130 4.120 -0.000 0.000 0.299 172 V C 0.096 176.197 176.094 0.010 0.000 1.035 172 V CA -0.633 61.674 62.300 0.012 0.000 0.889 172 V CB 1.611 33.469 31.823 0.057 0.000 0.988 172 V HN 1.248 nan 8.190 nan 0.000 0.440 173 A N 5.447 128.300 122.820 0.055 0.000 2.483 173 A HA 0.836 5.156 4.320 -0.000 0.000 0.308 173 A C -2.856 174.852 177.584 0.206 0.000 1.291 173 A CA -1.741 50.383 52.037 0.144 0.000 0.774 173 A CB 0.855 19.968 19.000 0.188 0.000 1.134 173 A HN 0.744 nan 8.150 nan 0.000 0.471 174 P HA 0.118 nan 4.420 nan 0.000 0.276 174 P C 0.750 178.022 177.300 -0.047 0.000 1.264 174 P CA 0.236 63.361 63.100 0.041 0.000 0.769 174 P CB 1.134 32.850 31.700 0.026 0.000 0.840 175 S N 1.082 116.569 115.700 -0.355 0.000 2.554 175 S HA 0.002 4.472 4.470 -0.000 0.000 0.226 175 S C 1.039 175.420 174.600 -0.366 0.000 0.980 175 S CA -0.254 57.451 58.200 -0.826 0.000 0.939 175 S CB -0.420 61.988 63.200 -1.320 0.000 0.832 175 S HN 0.404 nan 8.310 nan 0.000 0.486 176 D N 1.130 121.415 120.400 -0.191 0.000 2.277 176 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 176 D C 0.758 177.000 176.300 -0.096 0.000 0.962 176 D CA 0.229 54.141 54.000 -0.146 0.000 0.865 176 D CB -0.413 40.311 40.800 -0.127 0.000 0.939 176 D HN 0.237 nan 8.370 nan 0.000 0.510 177 M N 0.043 119.624 119.600 -0.032 0.000 2.461 177 M HA -0.157 4.323 4.480 -0.000 0.000 0.203 177 M C -0.546 175.764 176.300 0.017 0.000 0.428 177 M CA 0.681 56.002 55.300 0.034 0.000 0.509 177 M CB -1.572 31.106 32.600 0.130 0.000 1.851 177 M HN 0.220 nan 8.290 nan 0.000 0.834 178 M N 0.058 119.636 119.600 -0.036 0.000 2.249 178 M HA 0.254 4.734 4.480 -0.000 0.000 0.351 178 M C 0.626 176.925 176.300 -0.002 0.000 1.180 178 M CA -0.130 55.149 55.300 -0.035 0.000 1.127 178 M CB 0.510 33.071 32.600 -0.065 0.000 1.546 178 M HN 0.058 nan 8.290 nan 0.000 0.461 179 D N 1.623 122.032 120.400 0.015 0.000 2.455 179 D HA 0.247 4.887 4.640 -0.000 0.000 0.241 179 D C 1.307 177.613 176.300 0.009 0.000 1.138 179 D CA 1.018 55.030 54.000 0.020 0.000 0.877 179 D CB 0.555 41.375 40.800 0.033 0.000 1.187 179 D HN 0.929 nan 8.370 nan 0.000 0.451 180 G N 2.543 111.348 108.800 0.008 0.000 2.175 180 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.265 180 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.265 180 G C 1.353 176.250 174.900 -0.004 0.000 0.979 180 G CA 0.826 45.928 45.100 0.003 0.000 0.663 180 G HN 0.588 nan 8.290 nan 0.000 0.533 181 R N 0.476 120.971 120.500 -0.008 0.000 2.148 181 R HA 0.058 4.398 4.340 -0.000 0.000 0.223 181 R C 2.165 178.458 176.300 -0.012 0.000 1.088 181 R CA 1.659 57.750 56.100 -0.015 0.000 0.985 181 R CB -0.542 29.744 30.300 -0.023 0.000 0.880 181 R HN 0.421 nan 8.270 nan 0.000 0.451 182 I N 1.768 122.334 120.570 -0.007 0.000 2.179 182 I HA -0.110 4.060 4.170 -0.000 0.000 0.242 182 I C 2.551 178.663 176.117 -0.009 0.000 1.088 182 I CA 1.660 62.955 61.300 -0.007 0.000 1.357 182 I CB -1.760 36.236 38.000 -0.008 0.000 1.051 182 I HN 0.355 nan 8.210 nan 0.000 0.409 183 G N 0.452 109.247 108.800 -0.008 0.000 2.422 183 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 183 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 183 G C 1.868 176.762 174.900 -0.009 0.000 1.146 183 G CA 0.956 46.051 45.100 -0.007 0.000 0.769 183 G HN 0.490 nan 8.290 nan 0.000 0.547 184 A N 0.763 123.576 122.820 -0.012 0.000 1.877 184 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 184 A C 2.400 179.972 177.584 -0.019 0.000 1.186 184 A CA 1.312 53.339 52.037 -0.016 0.000 0.620 184 A CB -0.357 18.630 19.000 -0.020 0.000 0.822 184 A HN 0.367 nan 8.150 nan 0.000 0.443 185 I N -1.061 119.497 120.570 -0.020 0.000 2.252 185 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 185 I C 2.651 178.761 176.117 -0.011 0.000 1.102 185 I CA 1.624 62.911 61.300 -0.022 0.000 1.385 185 I CB -0.220 37.766 38.000 -0.024 0.000 1.064 185 I HN 0.306 nan 8.210 nan 0.000 0.414 186 R N 1.640 122.136 120.500 -0.007 0.000 2.091 186 R HA -0.246 4.094 4.340 -0.000 0.000 0.238 186 R C 2.122 178.424 176.300 0.003 0.000 1.136 186 R CA 2.103 58.202 56.100 -0.001 0.000 0.959 186 R CB -0.598 29.700 30.300 -0.003 0.000 0.856 186 R HN 0.521 nan 8.270 nan 0.000 0.437 187 E N -0.568 119.630 120.200 -0.002 0.000 2.110 187 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 187 E C 1.607 178.206 176.600 -0.002 0.000 0.988 187 E CA 1.356 57.754 56.400 -0.003 0.000 0.804 187 E CB -0.201 29.494 29.700 -0.007 0.000 0.745 187 E HN 0.440 nan 8.360 nan 0.000 0.458 188 A N 1.080 123.899 122.820 -0.002 0.000 1.898 188 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 188 A C 2.227 179.833 177.584 0.036 0.000 1.183 188 A CA 0.725 52.764 52.037 0.003 0.000 0.622 188 A CB -0.511 18.482 19.000 -0.012 0.000 0.824 188 A HN 0.291 nan 8.150 nan 0.000 0.444 189 L N -0.453 120.800 121.223 0.049 0.000 2.017 189 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 189 L C 2.704 179.622 176.870 0.080 0.000 1.073 189 L CA 1.356 56.263 54.840 0.111 0.000 0.745 189 L CB -0.536 41.570 42.059 0.079 0.000 0.894 189 L HN 0.334 nan 8.230 nan 0.000 0.432 190 E N -0.384 119.836 120.200 0.034 0.000 2.051 190 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 190 E C 2.375 178.967 176.600 -0.013 0.000 0.991 190 E CA 1.602 58.008 56.400 0.009 0.000 0.799 190 E CB -0.349 29.353 29.700 0.004 0.000 0.748 190 E HN 0.285 nan 8.360 nan 0.000 0.449 191 S N -0.096 115.597 115.700 -0.011 0.000 2.419 191 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 191 S C 1.699 176.271 174.600 -0.046 0.000 1.016 191 S CA 1.046 59.231 58.200 -0.025 0.000 0.974 191 S CB 0.009 63.198 63.200 -0.019 0.000 0.786 191 S HN 0.288 nan 8.310 nan 0.000 0.492 192 A N -0.525 122.264 122.820 -0.052 0.000 2.275 192 A HA 0.548 4.868 4.320 -0.000 0.000 0.212 192 A C 1.521 178.915 177.584 -0.316 0.000 1.201 192 A CA 0.681 52.640 52.037 -0.130 0.000 0.843 192 A CB -0.763 18.215 19.000 -0.038 0.000 0.873 192 A HN 1.203 nan 8.150 nan 0.000 0.492 193 G N -0.817 107.854 108.800 -0.214 0.000 2.159 193 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.256 193 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.256 193 G C 0.135 174.897 174.900 -0.230 0.000 0.977 193 G CA 0.286 45.258 45.100 -0.213 0.000 0.652 193 G HN 0.651 nan 8.290 nan 0.000 0.531 194 H N 1.704 120.767 119.070 -0.011 0.000 2.768 194 H HA 0.231 4.787 4.556 -0.000 0.000 0.219 194 H C 2.189 177.512 175.328 -0.010 0.000 1.898 194 H CA 0.922 56.964 56.048 -0.010 0.000 1.313 194 H CB -0.264 29.492 29.762 -0.010 0.000 1.701 194 H HN 0.554 nan 8.280 nan 0.000 0.534 195 T N -1.578 113.011 114.554 0.059 0.000 2.720 195 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 195 T C 1.350 176.072 174.700 0.036 0.000 1.037 195 T CA 1.197 63.317 62.100 0.032 0.000 1.144 195 T CB 0.196 69.070 68.868 0.010 0.000 0.864 195 T HN 0.282 nan 8.240 nan 0.000 0.444 196 N N 0.722 119.447 118.700 0.043 0.000 2.236 196 N HA 0.212 4.952 4.740 -0.000 0.000 0.196 196 N C -0.374 175.149 175.510 0.021 0.000 1.114 196 N CA -0.052 53.014 53.050 0.027 0.000 0.859 196 N CB 0.675 39.175 38.487 0.022 0.000 0.982 196 N HN 0.305 nan 8.380 nan 0.000 0.493 197 V N 2.518 122.451 119.914 0.033 0.000 2.450 197 V HA 0.008 4.128 4.120 -0.000 0.000 0.281 197 V C 0.834 176.922 176.094 -0.011 0.000 1.019 197 V CA -0.016 62.286 62.300 0.004 0.000 1.062 197 V CB -0.077 31.741 31.823 -0.009 0.000 0.979 197 V HN 0.065 nan 8.190 nan 0.000 0.477 198 R N 3.426 123.907 120.500 -0.031 0.000 2.594 198 R HA 0.434 4.774 4.340 -0.000 0.000 0.272 198 R C -0.661 175.607 176.300 -0.055 0.000 1.074 198 R CA -0.166 55.905 56.100 -0.048 0.000 1.105 198 R CB 0.866 31.121 30.300 -0.076 0.000 1.008 198 R HN 0.539 nan 8.270 nan 0.000 0.472 199 V N 4.297 124.179 119.914 -0.053 0.000 2.334 199 V HA 0.261 4.381 4.120 -0.000 0.000 0.281 199 V C -0.215 175.833 176.094 -0.077 0.000 1.016 199 V CA -0.518 61.753 62.300 -0.048 0.000 0.832 199 V CB 1.361 33.169 31.823 -0.025 0.000 0.999 199 V HN 0.724 nan 8.190 nan 0.000 0.439 200 M N 5.482 125.023 119.600 -0.099 0.000 2.152 200 M HA 0.634 5.114 4.480 -0.000 0.000 0.354 200 M C 0.281 176.546 176.300 -0.058 0.000 1.173 200 M CA -0.446 54.757 55.300 -0.162 0.000 1.110 200 M CB 0.534 32.956 32.600 -0.296 0.000 1.366 200 M HN 0.721 nan 8.290 nan 0.000 0.415 201 A N 4.233 127.035 122.820 -0.030 0.000 2.454 201 A HA 0.234 4.554 4.320 -0.000 0.000 0.260 201 A C -1.154 176.476 177.584 0.077 0.000 1.106 201 A CA -0.085 51.980 52.037 0.047 0.000 0.780 201 A CB -0.126 18.882 19.000 0.013 0.000 1.044 201 A HN 0.774 nan 8.150 nan 0.000 0.498 202 Y N 3.172 123.467 120.300 -0.009 0.000 2.640 202 Y HA 0.139 4.689 4.550 -0.000 0.000 0.355 202 Y C 1.561 177.456 175.900 -0.010 0.000 1.088 202 Y CA 0.285 58.390 58.100 0.008 0.000 1.443 202 Y CB 0.346 38.813 38.460 0.012 0.000 1.224 202 Y HN 0.742 nan 8.280 nan 0.000 0.516 203 S N 1.545 117.299 115.700 0.091 0.000 2.341 203 S HA 0.222 4.692 4.470 -0.000 0.000 0.216 203 S C 1.072 175.675 174.600 0.006 0.000 1.034 203 S CA 0.650 58.869 58.200 0.032 0.000 0.964 203 S CB 0.037 63.232 63.200 -0.007 0.000 0.882 203 S HN 0.625 nan 8.310 nan 0.000 0.469 207 A N 2.048 124.943 122.820 0.125 0.000 2.444 207 A HA 0.546 4.866 4.320 -0.000 0.000 0.287 207 A C 0.006 177.594 177.584 0.006 0.000 1.195 207 A CA 0.449 52.518 52.037 0.053 0.000 0.858 207 A CB 0.033 19.024 19.000 -0.015 0.000 1.117 207 A HN 0.494 nan 8.150 nan 0.000 0.521 208 S N 1.481 117.075 115.700 -0.177 0.000 2.548 208 S HA 0.592 5.062 4.470 -0.000 0.000 0.286 208 S C 0.866 175.236 174.600 -0.384 0.000 1.098 208 S CA 0.077 58.080 58.200 -0.329 0.000 0.930 208 S CB 1.618 64.457 63.200 -0.601 0.000 1.070 208 S HN 1.358 nan 8.310 nan 0.000 0.480 209 A N 2.965 125.609 122.820 -0.293 0.000 2.167 209 A HA 0.137 4.457 4.320 -0.000 0.000 0.214 209 A C 0.883 178.289 177.584 -0.296 0.000 1.151 209 A CA 0.884 52.747 52.037 -0.290 0.000 0.735 209 A CB -0.635 18.169 19.000 -0.326 0.000 0.802 209 A HN 0.864 nan 8.150 nan 0.000 0.467 210 Y N -1.756 118.411 120.300 -0.223 0.000 2.583 210 Y HA -0.051 4.499 4.550 0.000 0.000 0.293 210 Y C 1.188 177.100 175.900 0.021 0.000 1.157 210 Y CA 0.531 58.581 58.100 -0.083 0.000 1.315 210 Y CB -0.274 38.172 38.460 -0.024 0.000 1.021 210 Y HN 0.462 nan 8.280 nan 0.000 0.536 211 Y N -1.400 118.984 120.300 0.140 0.000 2.529 211 Y HA 0.173 4.723 4.550 -0.000 0.000 0.290 211 Y C 2.245 178.212 175.900 0.111 0.000 1.177 211 Y CA -0.353 57.794 58.100 0.079 0.000 1.305 211 Y CB -1.124 37.336 38.460 -0.000 0.000 1.047 211 Y HN 0.084 nan 8.280 nan 0.000 0.522 212 G N 2.008 110.924 108.800 0.194 0.000 2.599 212 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 212 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 212 G C -0.458 174.508 174.900 0.111 0.000 1.193 212 G CA 1.132 46.306 45.100 0.123 0.000 0.778 212 G HN 0.296 nan 8.290 nan 0.000 0.589 213 P HA -0.058 nan 4.420 nan 0.000 0.218 213 P C 1.597 178.888 177.300 -0.015 0.000 1.149 213 P CA 0.619 63.736 63.100 0.028 0.000 0.817 213 P CB -0.140 31.581 31.700 0.034 0.000 0.785 214 F N 1.147 121.061 119.950 -0.060 0.000 2.095 214 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 214 F C 2.181 177.911 175.800 -0.116 0.000 1.104 214 F CA 1.613 59.570 58.000 -0.072 0.000 1.232 214 F CB -0.398 38.606 39.000 0.008 0.000 0.987 214 F HN -0.282 nan 8.300 nan 0.000 0.475 215 R N 0.327 120.932 120.500 0.173 0.000 2.091 215 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 215 R C 1.888 178.120 176.300 -0.113 0.000 1.136 215 R CA 1.752 57.889 56.100 0.061 0.000 0.959 215 R CB -0.645 29.735 30.300 0.132 0.000 0.856 215 R HN 0.314 nan 8.270 nan 0.000 0.437 216 D N 0.412 120.739 120.400 -0.121 0.000 2.123 216 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 216 D C 1.768 177.887 176.300 -0.301 0.000 0.992 216 D CA 1.632 55.531 54.000 -0.168 0.000 0.833 216 D CB -0.280 40.443 40.800 -0.129 0.000 0.954 216 D HN 0.293 nan 8.370 nan 0.000 0.455 217 A N 0.511 123.033 122.820 -0.497 0.000 1.969 217 A HA -0.078 4.241 4.320 -0.000 0.000 0.218 217 A C 2.246 179.370 177.584 -0.767 0.000 1.169 217 A CA 1.626 53.170 52.037 -0.821 0.000 0.635 217 A CB -0.333 17.741 19.000 -1.544 0.000 0.810 217 A HN 0.254 nan 8.150 nan 0.000 0.445 218 V N -4.620 114.899 119.914 -0.658 0.000 3.621 218 V HA 0.556 4.676 4.120 -0.000 0.000 0.285 218 V C 1.301 177.246 176.094 -0.248 0.000 1.346 218 V CA 0.795 62.836 62.300 -0.432 0.000 1.104 218 V CB -0.508 31.043 31.823 -0.454 0.000 0.913 218 V HN 1.420 nan 8.190 nan 0.000 0.432 219 G N 1.114 109.782 108.800 -0.220 0.000 2.159 219 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.227 219 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.227 219 G C 0.304 175.146 174.900 -0.095 0.000 0.986 219 G CA 0.557 45.572 45.100 -0.141 0.000 0.651 219 G HN 1.297 nan 8.290 nan 0.000 0.523 229 K N 0.151 120.437 120.400 -0.191 0.000 2.173 229 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 229 K C 1.378 177.587 176.600 -0.651 0.000 1.046 229 K CA 1.563 57.506 56.287 -0.574 0.000 0.929 229 K CB -0.692 31.665 32.500 -0.237 0.000 0.720 229 K HN 0.523 nan 8.250 nan 0.000 0.453 230 A N 1.444 124.094 122.820 -0.284 0.000 2.125 230 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 230 A C 2.118 179.626 177.584 -0.127 0.000 1.156 230 A CA 1.904 53.841 52.037 -0.167 0.000 0.671 230 A CB -0.757 18.206 19.000 -0.062 0.000 0.794 230 A HN 0.509 nan 8.150 nan 0.000 0.459 231 T N -3.964 110.518 114.554 -0.119 0.000 3.148 231 T HA 0.110 4.460 4.350 -0.000 0.000 0.253 231 T C 1.111 175.899 174.700 0.146 0.000 1.134 231 T CA 1.076 63.231 62.100 0.093 0.000 1.051 231 T CB -0.432 68.621 68.868 0.308 0.000 0.959 231 T HN 0.798 nan 8.240 nan 0.000 0.525 232 Y N -0.982 119.329 120.300 0.018 0.000 2.844 232 Y HA 0.507 5.057 4.550 -0.000 0.000 0.256 232 Y C 0.785 176.674 175.900 -0.019 0.000 1.134 232 Y CA -1.135 56.958 58.100 -0.012 0.000 1.209 232 Y CB 0.092 38.518 38.460 -0.056 0.000 1.418 232 Y HN 0.049 nan 8.280 nan 0.000 0.459 233 Q N 1.900 121.533 119.800 -0.278 0.000 2.417 233 Q HA 0.359 4.699 4.340 -0.000 0.000 0.241 233 Q C -0.605 175.321 176.000 -0.124 0.000 1.008 233 Q CA -0.224 55.498 55.803 -0.135 0.000 0.901 233 Q CB 1.132 29.793 28.738 -0.127 0.000 1.259 233 Q HN 0.304 nan 8.270 nan 0.000 0.489 234 M N 1.256 120.757 119.600 -0.164 0.000 2.250 234 M HA 0.078 4.558 4.480 -0.000 0.000 0.344 234 M C -0.126 176.194 176.300 0.033 0.000 1.150 234 M CA -0.495 54.695 55.300 -0.184 0.000 1.147 234 M CB 0.573 32.819 32.600 -0.591 0.000 1.498 234 M HN 0.508 nan 8.290 nan 0.000 0.461 235 D N 3.328 123.789 120.400 0.101 0.000 2.401 235 D HA 0.098 4.738 4.640 -0.000 0.000 0.254 235 D C -1.831 174.704 176.300 0.390 0.000 1.192 235 D CA -1.730 52.381 54.000 0.184 0.000 0.885 235 D CB 1.121 41.993 40.800 0.120 0.000 1.147 235 D HN 0.216 nan 8.370 nan 0.000 0.478 236 P HA -0.100 nan 4.420 nan 0.000 0.222 236 P C 0.768 178.208 177.300 0.234 0.000 1.142 236 P CA 1.076 64.399 63.100 0.372 0.000 0.788 236 P CB 0.161 32.009 31.700 0.248 0.000 0.767 237 A N -1.431 121.504 122.820 0.192 0.000 2.067 237 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 237 A C 0.858 178.540 177.584 0.164 0.000 1.158 237 A CA 0.937 53.053 52.037 0.131 0.000 0.661 237 A CB -0.757 18.301 19.000 0.097 0.000 0.801 237 A HN 0.196 nan 8.150 nan 0.000 0.452 238 N N -0.763 118.092 118.700 0.260 0.000 2.419 238 N HA 0.380 5.120 4.740 -0.000 0.000 0.277 238 N C 0.360 176.063 175.510 0.322 0.000 1.006 238 N CA 0.230 53.428 53.050 0.248 0.000 0.923 238 N CB 1.707 40.317 38.487 0.205 0.000 1.140 238 N HN 0.132 nan 8.380 nan 0.000 0.488 239 S N 1.321 117.159 115.700 0.230 0.000 2.691 239 S HA 0.034 4.504 4.470 -0.000 0.000 0.241 239 S C 0.810 175.528 174.600 0.197 0.000 1.077 239 S CA 0.205 58.541 58.200 0.226 0.000 0.900 239 S CB 0.014 63.306 63.200 0.154 0.000 0.805 239 S HN 0.387 nan 8.310 nan 0.000 0.529 240 D N 1.925 122.425 120.400 0.167 0.000 2.133 240 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 240 D C 1.793 178.245 176.300 0.253 0.000 0.997 240 D CA 1.229 55.334 54.000 0.175 0.000 0.840 240 D CB -0.436 40.468 40.800 0.174 0.000 0.947 240 D HN 0.631 nan 8.370 nan 0.000 0.452 241 E N 0.241 120.589 120.200 0.247 0.000 2.171 241 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 241 E C 1.914 178.639 176.600 0.208 0.000 0.997 241 E CA 1.046 57.594 56.400 0.247 0.000 0.810 241 E CB -0.000 29.786 29.700 0.143 0.000 0.738 241 E HN 0.213 nan 8.360 nan 0.000 0.467 242 A N 0.799 123.728 122.820 0.182 0.000 1.972 242 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 242 A C 2.136 179.820 177.584 0.166 0.000 1.169 242 A CA 0.942 53.069 52.037 0.151 0.000 0.635 242 A CB -0.488 18.646 19.000 0.223 0.000 0.810 242 A HN 0.285 nan 8.150 nan 0.000 0.446 243 L N -1.383 119.950 121.223 0.183 0.000 2.056 243 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 243 L C 2.612 179.564 176.870 0.136 0.000 1.078 243 L CA 1.235 56.212 54.840 0.229 0.000 0.749 243 L CB -0.893 41.204 42.059 0.063 0.000 0.901 243 L HN 0.483 nan 8.230 nan 0.000 0.433 244 H N -0.087 119.082 119.070 0.165 0.000 2.357 244 H HA -0.104 4.452 4.556 -0.000 0.000 0.301 244 H C 2.216 177.573 175.328 0.048 0.000 1.082 244 H CA 1.099 57.212 56.048 0.108 0.000 1.342 244 H CB 0.107 29.916 29.762 0.079 0.000 1.389 244 H HN 0.332 nan 8.280 nan 0.000 0.511 245 E N 0.634 120.916 120.200 0.137 0.000 2.058 245 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 245 E C 2.542 179.119 176.600 -0.038 0.000 0.997 245 E CA 0.751 57.175 56.400 0.041 0.000 0.801 245 E CB -0.283 29.427 29.700 0.017 0.000 0.746 245 E HN 0.208 nan 8.360 nan 0.000 0.450 246 V N 1.474 121.328 119.914 -0.100 0.000 2.358 246 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 246 V C 2.467 178.250 176.094 -0.518 0.000 1.047 246 V CA 1.601 63.711 62.300 -0.316 0.000 1.035 246 V CB -0.854 30.710 31.823 -0.431 0.000 0.658 246 V HN 0.244 nan 8.190 nan 0.000 0.452 247 A N 0.222 122.759 122.820 -0.472 0.000 1.917 247 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 247 A C 2.427 179.938 177.584 -0.122 0.000 1.182 247 A CA 2.398 54.266 52.037 -0.281 0.000 0.633 247 A CB -0.828 18.236 19.000 0.105 0.000 0.819 247 A HN 0.581 nan 8.150 nan 0.000 0.448 248 A N -0.169 122.618 122.820 -0.056 0.000 1.877 248 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 248 A C 1.785 179.340 177.584 -0.048 0.000 1.186 248 A CA 1.888 53.913 52.037 -0.020 0.000 0.620 248 A CB -0.600 18.409 19.000 0.015 0.000 0.822 248 A HN 0.457 nan 8.150 nan 0.000 0.443 249 D N 0.089 120.442 120.400 -0.079 0.000 2.144 249 D HA -0.099 4.541 4.640 -0.000 0.000 0.199 249 D C 1.947 178.199 176.300 -0.081 0.000 0.984 249 D CA 0.917 54.875 54.000 -0.070 0.000 0.834 249 D CB -0.347 40.413 40.800 -0.068 0.000 0.955 249 D HN 0.452 nan 8.370 nan 0.000 0.465 250 L N 0.642 121.784 121.223 -0.135 0.000 2.017 250 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 250 L C 2.526 179.366 176.870 -0.050 0.000 1.073 250 L CA 1.239 56.016 54.840 -0.105 0.000 0.745 250 L CB -0.480 41.482 42.059 -0.162 0.000 0.894 250 L HN -0.014 nan 8.230 nan 0.000 0.432 251 A N -0.212 122.584 122.820 -0.040 0.000 1.940 251 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 251 A C 2.067 179.646 177.584 -0.008 0.000 1.176 251 A CA 1.659 53.690 52.037 -0.009 0.000 0.631 251 A CB -0.423 18.580 19.000 0.006 0.000 0.814 251 A HN 0.477 nan 8.150 nan 0.000 0.446 252 E N -1.853 118.338 120.200 -0.016 0.000 2.502 252 E HA 0.249 4.599 4.350 -0.000 0.000 0.194 252 E C 1.040 177.634 176.600 -0.011 0.000 1.062 252 E CA 0.318 56.712 56.400 -0.011 0.000 0.867 252 E CB -0.040 29.654 29.700 -0.011 0.000 0.888 252 E HN 0.757 nan 8.360 nan 0.000 0.510 253 G N 0.765 109.556 108.800 -0.015 0.000 2.168 253 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.197 253 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.197 253 G C 0.350 175.240 174.900 -0.016 0.000 0.997 253 G CA -0.220 44.873 45.100 -0.012 0.000 0.658 253 G HN 0.422 nan 8.290 nan 0.000 0.513 254 A N 0.352 123.156 122.820 -0.025 0.000 2.540 254 A HA 0.458 4.778 4.320 -0.000 0.000 0.239 254 A C 1.242 178.810 177.584 -0.026 0.000 1.061 254 A CA 1.096 53.114 52.037 -0.030 0.000 0.758 254 A CB 0.263 19.239 19.000 -0.039 0.000 0.991 254 A HN 0.275 nan 8.150 nan 0.000 0.502 255 D N 1.009 121.389 120.400 -0.032 0.000 2.271 255 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 255 D C -0.046 176.247 176.300 -0.010 0.000 0.967 255 D CA 1.315 55.302 54.000 -0.022 0.000 0.867 255 D CB 0.099 40.879 40.800 -0.034 0.000 0.960 255 D HN 0.602 nan 8.370 nan 0.000 0.509 256 M N -0.049 119.524 119.600 -0.045 0.000 2.484 256 M HA 0.270 4.750 4.480 -0.000 0.000 0.289 256 M C -0.847 175.447 176.300 -0.011 0.000 1.206 256 M CA -0.975 54.322 55.300 -0.005 0.000 0.892 256 M CB 3.425 35.861 32.600 -0.273 0.000 1.712 256 M HN -0.270 nan 8.290 nan 0.000 0.462 257 V N -0.289 119.673 119.914 0.079 0.000 2.680 257 V HA 0.852 4.972 4.120 -0.000 0.000 0.309 257 V C -0.899 175.245 176.094 0.083 0.000 1.052 257 V CA -0.638 61.681 62.300 0.032 0.000 0.908 257 V CB 2.017 33.831 31.823 -0.016 0.000 1.001 257 V HN 1.022 nan 8.190 nan 0.000 0.431 258 M N 3.868 123.478 119.600 0.017 0.000 2.464 258 M HA 0.742 5.222 4.480 -0.000 0.000 0.308 258 M C -1.740 174.577 176.300 0.028 0.000 1.127 258 M CA -0.657 54.645 55.300 0.003 0.000 0.913 258 M CB 2.343 34.827 32.600 -0.193 0.000 1.689 258 M HN 0.668 nan 8.290 nan 0.000 0.445 259 V N 3.975 123.927 119.914 0.064 0.000 2.472 259 V HA 0.595 4.715 4.120 -0.000 0.000 0.290 259 V C -0.577 175.589 176.094 0.119 0.000 1.037 259 V CA -0.550 61.822 62.300 0.119 0.000 0.908 259 V CB 1.758 33.683 31.823 0.171 0.000 0.985 259 V HN 0.828 nan 8.190 nan 0.000 0.454 260 K N 5.595 126.084 120.400 0.149 0.000 2.543 260 K HA 0.536 4.856 4.320 -0.000 0.000 0.255 260 K C -2.964 173.725 176.600 0.149 0.000 0.934 260 K CA -1.516 54.874 56.287 0.172 0.000 0.810 260 K CB 2.907 35.527 32.500 0.199 0.000 1.315 260 K HN 0.323 nan 8.250 nan 0.000 0.433 261 P HA 0.083 nan 4.420 nan 0.000 0.285 261 P C -0.118 177.350 177.300 0.281 0.000 1.282 261 P CA -0.070 63.174 63.100 0.241 0.000 0.778 261 P CB 0.539 32.397 31.700 0.262 0.000 1.222 262 G N -1.245 107.739 108.800 0.307 0.000 2.598 262 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.225 262 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.225 262 G C 1.325 176.556 174.900 0.551 0.000 1.631 262 G CA 0.384 45.717 45.100 0.388 0.000 0.821 262 G HN 0.443 nan 8.290 nan 0.000 0.610 263 M N 1.331 121.237 119.600 0.510 0.000 2.082 263 M HA -0.036 4.444 4.480 -0.000 0.000 0.258 263 M C -0.644 175.657 176.300 0.001 0.000 1.069 263 M CA 1.761 57.149 55.300 0.147 0.000 1.102 263 M CB -0.637 31.975 32.600 0.020 0.000 1.336 263 M HN 0.120 nan 8.290 nan 0.000 0.404 264 P HA -0.090 nan 4.420 nan 0.000 0.236 264 P C -0.470 176.400 177.300 -0.716 0.000 1.172 264 P CA 1.258 64.139 63.100 -0.364 0.000 0.759 264 P CB -0.205 31.237 31.700 -0.429 0.000 0.843 265 Y N -2.451 117.826 120.300 -0.038 0.000 2.742 265 Y HA 0.270 4.820 4.550 -0.000 0.000 0.248 265 Y C 1.540 177.465 175.900 0.041 0.000 1.132 265 Y CA -0.310 57.761 58.100 -0.048 0.000 1.142 265 Y CB -0.386 38.025 38.460 -0.082 0.000 1.222 265 Y HN -0.212 nan 8.280 nan 0.000 0.575 266 L N 0.612 121.899 121.223 0.107 0.000 2.191 266 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 266 L C 2.138 179.056 176.870 0.080 0.000 1.103 266 L CA 1.664 56.571 54.840 0.111 0.000 0.769 266 L CB -0.246 41.828 42.059 0.026 0.000 0.908 266 L HN 0.440 nan 8.230 nan 0.000 0.438 267 D N 0.649 121.075 120.400 0.043 0.000 2.149 267 D HA -0.229 4.411 4.640 -0.000 0.000 0.198 267 D C 2.001 178.357 176.300 0.093 0.000 0.990 267 D CA 1.318 55.343 54.000 0.043 0.000 0.839 267 D CB -0.232 40.575 40.800 0.012 0.000 0.948 267 D HN 0.259 nan 8.370 nan 0.000 0.460 268 I N 1.124 121.784 120.570 0.150 0.000 2.252 268 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 268 I C 2.848 179.074 176.117 0.182 0.000 1.102 268 I CA 0.402 61.825 61.300 0.204 0.000 1.385 268 I CB -1.187 37.002 38.000 0.314 0.000 1.064 268 I HN -0.032 nan 8.210 nan 0.000 0.414 269 V N 1.531 121.552 119.914 0.178 0.000 2.252 269 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 269 V C 2.820 178.981 176.094 0.111 0.000 1.056 269 V CA 2.393 64.781 62.300 0.148 0.000 1.022 269 V CB -0.963 30.958 31.823 0.163 0.000 0.641 269 V HN 0.355 nan 8.190 nan 0.000 0.445 270 R N 0.428 120.982 120.500 0.090 0.000 2.094 270 R HA -0.179 4.161 4.340 -0.000 0.000 0.239 270 R C 2.443 178.776 176.300 0.055 0.000 1.137 270 R CA 1.953 58.087 56.100 0.057 0.000 0.943 270 R CB -0.469 29.852 30.300 0.034 0.000 0.850 270 R HN 0.441 nan 8.270 nan 0.000 0.433 271 R N -0.459 120.082 120.500 0.068 0.000 2.081 271 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 271 R C 2.306 178.649 176.300 0.072 0.000 1.131 271 R CA 1.653 57.786 56.100 0.054 0.000 0.960 271 R CB -0.505 29.837 30.300 0.071 0.000 0.856 271 R HN 0.132 nan 8.270 nan 0.000 0.436 272 V N 1.564 121.569 119.914 0.150 0.000 2.295 272 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 272 V C 2.333 178.567 176.094 0.234 0.000 1.049 272 V CA 1.887 64.347 62.300 0.266 0.000 1.024 272 V CB -0.432 31.540 31.823 0.249 0.000 0.648 272 V HN 0.205 nan 8.190 nan 0.000 0.447 273 K N 0.779 121.259 120.400 0.134 0.000 2.032 273 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 273 K C 1.723 178.355 176.600 0.054 0.000 1.048 273 K CA 2.029 58.372 56.287 0.092 0.000 0.927 273 K CB -0.783 31.747 32.500 0.050 0.000 0.712 273 K HN 0.440 nan 8.250 nan 0.000 0.441 274 D N 0.083 120.495 120.400 0.020 0.000 2.117 274 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 274 D C 1.849 178.097 176.300 -0.085 0.000 0.987 274 D CA 1.250 55.236 54.000 -0.023 0.000 0.829 274 D CB -0.140 40.644 40.800 -0.028 0.000 0.961 274 D HN 0.381 nan 8.370 nan 0.000 0.460 275 E N -0.418 119.678 120.200 -0.174 0.000 2.028 275 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 275 E C 1.546 177.860 176.600 -0.477 0.000 0.984 275 E CA 1.040 57.172 56.400 -0.446 0.000 0.800 275 E CB -0.244 28.955 29.700 -0.835 0.000 0.758 275 E HN 0.238 nan 8.360 nan 0.000 0.448 276 F N 0.320 120.276 119.950 0.009 0.000 2.714 276 F HA 0.290 4.817 4.527 -0.000 0.000 0.294 276 F C 0.373 176.182 175.800 0.014 0.000 1.120 276 F CA -0.015 57.992 58.000 0.012 0.000 1.398 276 F CB 0.270 39.279 39.000 0.016 0.000 1.120 276 F HN -0.188 nan 8.300 nan 0.000 0.589 277 R N 0.168 120.757 120.500 0.149 0.000 3.301 277 R HA -0.176 4.164 4.340 -0.000 0.000 0.249 277 R C -0.249 176.115 176.300 0.106 0.000 0.964 277 R CA 0.663 56.820 56.100 0.094 0.000 0.653 277 R CB -2.652 27.681 30.300 0.055 0.000 1.043 277 R HN 0.286 nan 8.270 nan 0.000 0.454 278 A N 0.136 123.035 122.820 0.133 0.000 2.350 278 A HA 0.801 5.121 4.320 -0.000 0.000 0.318 278 A C -2.368 175.271 177.584 0.091 0.000 1.132 278 A CA -1.897 50.204 52.037 0.107 0.000 0.811 278 A CB 1.214 20.278 19.000 0.106 0.000 1.313 278 A HN -0.057 nan 8.150 nan 0.000 0.454 279 P HA 0.204 nan 4.420 nan 0.000 0.261 279 P C -0.680 176.737 177.300 0.196 0.000 1.203 279 P CA 0.766 63.957 63.100 0.151 0.000 0.767 279 P CB 0.430 32.299 31.700 0.282 0.000 0.785 280 T N 4.639 119.180 114.554 -0.022 0.000 2.786 280 T HA 0.560 4.910 4.350 -0.000 0.000 0.283 280 T C -0.445 174.117 174.700 -0.230 0.000 0.992 280 T CA -0.105 62.000 62.100 0.008 0.000 0.954 280 T CB 0.256 69.128 68.868 0.005 0.000 0.934 280 T HN 0.019 nan 8.240 nan 0.000 0.440 281 F N 1.582 121.493 119.950 -0.066 0.000 2.575 281 F HA 0.830 5.357 4.527 -0.000 0.000 0.330 281 F C 0.049 175.769 175.800 -0.132 0.000 1.056 281 F CA -1.102 56.825 58.000 -0.120 0.000 0.964 281 F CB 1.713 40.611 39.000 -0.169 0.000 1.258 281 F HN 0.274 nan 8.300 nan 0.000 0.484 282 V N 1.563 121.439 119.914 -0.063 0.000 2.932 282 V HA 0.444 4.564 4.120 -0.000 0.000 0.307 282 V C -2.181 173.782 176.094 -0.218 0.000 1.147 282 V CA -0.647 61.570 62.300 -0.138 0.000 0.951 282 V CB 2.031 33.729 31.823 -0.208 0.000 1.031 282 V HN 0.571 nan 8.190 nan 0.000 0.426 283 Y N 4.969 125.130 120.300 -0.232 0.000 2.385 283 Y HA 0.460 5.010 4.550 -0.000 0.000 0.341 283 Y C 0.329 176.137 175.900 -0.155 0.000 0.965 283 Y CA -0.408 57.571 58.100 -0.202 0.000 1.180 283 Y CB 1.433 39.825 38.460 -0.113 0.000 1.139 283 Y HN 0.745 nan 8.280 nan 0.000 0.502 284 Q N 6.689 126.538 119.800 0.082 0.000 2.381 284 Q HA 0.380 4.720 4.340 -0.000 0.000 0.243 284 Q C -0.417 175.863 176.000 0.466 0.000 1.154 284 Q CA -0.475 55.473 55.803 0.242 0.000 0.899 284 Q CB 0.223 29.113 28.738 0.254 0.000 1.396 284 Q HN 0.665 nan 8.270 nan 0.000 0.485 285 V N 1.335 121.487 119.914 0.397 0.000 3.264 285 V HA 0.169 4.289 4.120 -0.000 0.000 0.304 285 V C 1.447 177.825 176.094 0.474 0.000 1.086 285 V CA 0.419 62.926 62.300 0.346 0.000 1.090 285 V CB 1.106 33.031 31.823 0.170 0.000 1.112 285 V HN 0.913 nan 8.190 nan 0.000 0.472 286 S N 1.635 117.581 115.700 0.410 0.000 2.381 286 S HA -0.191 4.279 4.470 -0.000 0.000 0.230 286 S C 1.957 176.702 174.600 0.242 0.000 1.052 286 S CA 1.768 60.058 58.200 0.151 0.000 1.068 286 S CB -1.718 61.560 63.200 0.130 0.000 0.918 286 S HN 1.651 nan 8.310 nan 0.000 0.448 287 G N 1.602 110.583 108.800 0.302 0.000 2.440 287 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 287 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 287 G C 1.379 176.499 174.900 0.367 0.000 1.154 287 G CA 0.939 46.244 45.100 0.341 0.000 0.767 287 G HN 0.695 nan 8.290 nan 0.000 0.552 288 E N -0.679 119.735 120.200 0.357 0.000 2.051 288 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 288 E C 2.101 179.005 176.600 0.507 0.000 0.991 288 E CA 1.101 57.733 56.400 0.387 0.000 0.799 288 E CB -0.321 29.586 29.700 0.346 0.000 0.748 288 E HN 0.574 nan 8.360 nan 0.000 0.449 289 Y N 1.461 121.927 120.300 0.276 0.000 2.097 289 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 289 Y C 2.293 178.261 175.900 0.112 0.000 1.152 289 Y CA 1.776 59.914 58.100 0.064 0.000 1.136 289 Y CB -0.425 37.948 38.460 -0.145 0.000 0.975 289 Y HN 0.004 nan 8.280 nan 0.000 0.498 290 A N 1.461 124.421 122.820 0.234 0.000 1.902 290 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 290 A C 2.415 180.042 177.584 0.071 0.000 1.181 290 A CA 2.225 54.335 52.037 0.121 0.000 0.623 290 A CB -1.106 17.988 19.000 0.157 0.000 0.818 290 A HN 0.756 nan 8.150 nan 0.000 0.443 291 M N -1.473 118.214 119.600 0.146 0.000 2.086 291 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 291 M C 1.986 178.309 176.300 0.038 0.000 1.067 291 M CA 2.460 57.818 55.300 0.097 0.000 1.116 291 M CB -0.998 31.671 32.600 0.114 0.000 1.348 291 M HN 0.409 nan 8.290 nan 0.000 0.407 292 H N 0.232 119.365 119.070 0.104 0.000 2.293 292 H HA -0.088 4.468 4.556 -0.000 0.000 0.300 292 H C 2.100 177.460 175.328 0.053 0.000 1.082 292 H CA 2.514 58.633 56.048 0.119 0.000 1.308 292 H CB -0.299 29.619 29.762 0.258 0.000 1.375 292 H HN 0.364 nan 8.280 nan 0.000 0.495 293 M N 0.292 119.934 119.600 0.070 0.000 2.086 293 M HA -0.040 4.439 4.480 -0.000 0.000 0.261 293 M C 2.422 178.682 176.300 -0.067 0.000 1.067 293 M CA 1.776 57.035 55.300 -0.068 0.000 1.116 293 M CB -0.824 31.530 32.600 -0.409 0.000 1.348 293 M HN 0.315 nan 8.290 nan 0.000 0.407 294 G N -0.893 107.861 108.800 -0.078 0.000 2.446 294 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 294 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 294 G C 1.552 176.312 174.900 -0.232 0.000 1.168 294 G CA 1.185 46.206 45.100 -0.131 0.000 0.771 294 G HN 0.668 nan 8.290 nan 0.000 0.551 295 A N 0.523 123.268 122.820 -0.125 0.000 1.930 295 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 295 A C 2.404 179.916 177.584 -0.120 0.000 1.175 295 A CA 1.219 53.201 52.037 -0.092 0.000 0.627 295 A CB -0.302 18.779 19.000 0.136 0.000 0.815 295 A HN 0.390 nan 8.150 nan 0.000 0.443 296 I N -0.594 119.942 120.570 -0.057 0.000 2.202 296 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 296 I C 2.758 178.815 176.117 -0.100 0.000 1.091 296 I CA 1.501 62.776 61.300 -0.040 0.000 1.368 296 I CB -0.444 37.559 38.000 0.004 0.000 1.058 296 I HN 0.407 nan 8.210 nan 0.000 0.410 297 Q N 0.515 120.235 119.800 -0.134 0.000 2.124 297 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 297 Q C 1.640 177.497 176.000 -0.239 0.000 0.977 297 Q CA 1.247 56.961 55.803 -0.147 0.000 0.850 297 Q CB -0.198 28.461 28.738 -0.131 0.000 0.901 297 Q HN 0.494 nan 8.270 nan 0.000 0.429 298 N N -0.447 117.982 118.700 -0.452 0.000 2.550 298 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 298 N C 0.782 176.018 175.510 -0.456 0.000 1.110 298 N CA 1.056 53.686 53.050 -0.700 0.000 0.912 298 N CB 0.395 37.818 38.487 -1.774 0.000 0.968 298 N HN 0.403 nan 8.380 nan 0.000 0.448 299 G N -0.307 108.359 108.800 -0.224 0.000 2.160 299 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.251 299 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.251 299 G C 0.513 175.517 174.900 0.174 0.000 1.008 299 G CA 0.297 45.389 45.100 -0.013 0.000 0.724 299 G HN 0.305 nan 8.290 nan 0.000 0.514 300 W N -0.591 120.705 121.300 -0.006 0.000 2.576 300 W HA 0.512 5.172 4.660 -0.000 0.000 0.275 300 W C 1.321 177.830 176.519 -0.016 0.000 1.241 300 W CA 0.084 57.421 57.345 -0.013 0.000 1.328 300 W CB -0.094 29.355 29.460 -0.018 0.000 1.092 300 W HN 0.212 nan 8.180 nan 0.000 0.586 301 L N -0.055 121.285 121.223 0.194 0.000 2.386 301 L HA 0.622 4.962 4.340 -0.000 0.000 0.271 301 L C 0.356 177.262 176.870 0.059 0.000 0.993 301 L CA -1.090 53.813 54.840 0.106 0.000 0.819 301 L CB 1.495 43.609 42.059 0.093 0.000 1.294 301 L HN -0.329 nan 8.230 nan 0.000 0.414 302 A N 1.520 124.363 122.820 0.039 0.000 2.425 302 A HA 0.086 4.406 4.320 -0.000 0.000 0.242 302 A C 1.075 178.658 177.584 -0.001 0.000 1.077 302 A CA -0.052 51.996 52.037 0.017 0.000 0.781 302 A CB 0.382 19.388 19.000 0.010 0.000 1.020 302 A HN 0.894 nan 8.150 nan 0.000 0.494 303 E N 0.870 121.063 120.200 -0.011 0.000 2.265 303 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 303 E C 2.008 178.570 176.600 -0.063 0.000 0.996 303 E CA 1.452 57.831 56.400 -0.035 0.000 0.832 303 E CB -0.086 29.602 29.700 -0.020 0.000 0.756 303 E HN 0.851 nan 8.360 nan 0.000 0.491 304 S N -0.191 115.483 115.700 -0.043 0.000 2.469 304 S HA -0.104 4.366 4.470 -0.000 0.000 0.238 304 S C 2.046 176.604 174.600 -0.070 0.000 0.998 304 S CA 0.894 59.063 58.200 -0.052 0.000 0.957 304 S CB -0.259 62.922 63.200 -0.032 0.000 0.764 304 S HN 0.136 nan 8.310 nan 0.000 0.514 305 V N 1.640 121.518 119.914 -0.060 0.000 2.594 305 V HA -0.098 4.022 4.120 -0.000 0.000 0.253 305 V C 2.023 178.022 176.094 -0.157 0.000 1.069 305 V CA 1.529 63.799 62.300 -0.050 0.000 1.082 305 V CB -0.583 31.266 31.823 0.044 0.000 0.680 305 V HN 0.608 nan 8.190 nan 0.000 0.469 306 I N -0.644 119.759 120.570 -0.278 0.000 2.113 306 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 306 I C 2.287 178.222 176.117 -0.304 0.000 1.070 306 I CA 1.854 62.844 61.300 -0.517 0.000 1.332 306 I CB -0.351 37.239 38.000 -0.683 0.000 1.044 306 I HN 0.246 nan 8.210 nan 0.000 0.402 307 L N 0.194 121.307 121.223 -0.184 0.000 2.141 307 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 307 L C 2.578 179.389 176.870 -0.099 0.000 1.094 307 L CA 1.203 55.978 54.840 -0.108 0.000 0.763 307 L CB -0.568 41.450 42.059 -0.069 0.000 0.908 307 L HN 0.339 nan 8.230 nan 0.000 0.437 308 E N 0.325 120.462 120.200 -0.105 0.000 2.085 308 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 308 E C 2.297 178.814 176.600 -0.138 0.000 0.994 308 E CA 1.731 58.073 56.400 -0.098 0.000 0.801 308 E CB 0.081 29.737 29.700 -0.073 0.000 0.743 308 E HN 0.504 nan 8.360 nan 0.000 0.453 309 S N 0.272 115.869 115.700 -0.172 0.000 2.382 309 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 309 S C 2.060 176.475 174.600 -0.308 0.000 1.027 309 S CA 0.976 59.022 58.200 -0.257 0.000 0.991 309 S CB -0.471 62.537 63.200 -0.320 0.000 0.823 309 S HN 0.302 nan 8.310 nan 0.000 0.469 310 L N 0.898 122.063 121.223 -0.096 0.000 2.131 310 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 310 L C 2.946 179.841 176.870 0.042 0.000 1.087 310 L CA 1.341 56.246 54.840 0.109 0.000 0.767 310 L CB -1.179 40.949 42.059 0.115 0.000 0.917 310 L HN 0.336 nan 8.230 nan 0.000 0.441 311 T N 0.259 114.786 114.554 -0.045 0.000 2.788 311 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 311 T C 2.074 176.725 174.700 -0.081 0.000 1.044 311 T CA 1.292 63.364 62.100 -0.046 0.000 1.139 311 T CB -0.215 68.619 68.868 -0.055 0.000 0.867 311 T HN 0.438 nan 8.240 nan 0.000 0.454 312 A N 1.171 123.879 122.820 -0.187 0.000 1.917 312 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 312 A C 1.927 179.388 177.584 -0.205 0.000 1.182 312 A CA 1.588 53.473 52.037 -0.254 0.000 0.633 312 A CB -1.016 17.738 19.000 -0.410 0.000 0.819 312 A HN 0.469 nan 8.150 nan 0.000 0.448 313 F N -0.045 119.892 119.950 -0.022 0.000 2.134 313 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 313 F C 2.369 178.144 175.800 -0.043 0.000 1.097 313 F CA 1.490 59.476 58.000 -0.024 0.000 1.264 313 F CB -0.423 38.563 39.000 -0.023 0.000 1.001 313 F HN 0.036 nan 8.300 nan 0.000 0.479 314 K N 0.573 121.048 120.400 0.125 0.000 2.009 314 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 314 K C 2.320 178.928 176.600 0.013 0.000 1.049 314 K CA 1.215 57.525 56.287 0.039 0.000 0.929 314 K CB -0.588 31.922 32.500 0.016 0.000 0.714 314 K HN 0.176 nan 8.250 nan 0.000 0.440 315 R N 0.182 120.680 120.500 -0.003 0.000 2.105 315 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 315 R C 1.951 178.247 176.300 -0.007 0.000 1.135 315 R CA 1.498 57.588 56.100 -0.017 0.000 0.967 315 R CB -0.186 30.091 30.300 -0.039 0.000 0.861 315 R HN 0.164 nan 8.270 nan 0.000 0.442 316 A N -0.748 122.077 122.820 0.009 0.000 2.119 316 A HA 0.090 4.410 4.320 -0.000 0.000 0.217 316 A C 1.456 179.062 177.584 0.037 0.000 1.153 316 A CA 1.319 53.373 52.037 0.028 0.000 0.692 316 A CB -0.105 18.933 19.000 0.063 0.000 0.799 316 A HN 0.623 nan 8.150 nan 0.000 0.458 317 G N -2.899 105.918 108.800 0.028 0.000 2.198 317 G HA2 0.238 4.198 3.960 -0.000 0.000 0.156 317 G HA3 0.238 4.198 3.960 -0.000 0.000 0.156 317 G C 0.290 175.179 174.900 -0.019 0.000 1.012 317 G CA 0.027 45.132 45.100 0.008 0.000 0.692 317 G HN 1.398 nan 8.290 nan 0.000 0.492 318 A N 0.351 123.163 122.820 -0.014 0.000 2.440 318 A HA 0.558 4.878 4.320 -0.000 0.000 0.251 318 A C 1.069 178.523 177.584 -0.217 0.000 1.089 318 A CA 0.751 52.720 52.037 -0.113 0.000 0.779 318 A CB 0.337 19.294 19.000 -0.071 0.000 1.022 318 A HN 0.176 nan 8.150 nan 0.000 0.492 319 D N 1.246 121.384 120.400 -0.437 0.000 2.271 319 D HA 0.171 4.811 4.640 -0.000 0.000 0.206 319 D C 0.848 176.776 176.300 -0.620 0.000 0.967 319 D CA 1.578 55.270 54.000 -0.514 0.000 0.867 319 D CB 0.502 40.950 40.800 -0.586 0.000 0.960 319 D HN 0.714 nan 8.370 nan 0.000 0.509 320 G N 0.106 108.384 108.800 -0.870 0.000 2.698 320 G HA2 0.584 4.544 3.960 -0.000 0.000 0.293 320 G HA3 0.584 4.544 3.960 -0.000 0.000 0.293 320 G C -1.602 173.160 174.900 -0.230 0.000 1.437 320 G CA -0.625 44.229 45.100 -0.410 0.000 0.852 320 G HN -0.013 nan 8.290 nan 0.000 0.499 321 I N 0.490 120.979 120.570 -0.135 0.000 2.512 321 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 321 I C -0.891 175.075 176.117 -0.251 0.000 1.069 321 I CA -0.652 60.500 61.300 -0.247 0.000 1.056 321 I CB 2.203 40.057 38.000 -0.243 0.000 1.229 321 I HN 0.151 nan 8.210 nan 0.000 0.429 322 L N 5.508 126.506 121.223 -0.375 0.000 2.315 322 L HA 0.509 4.849 4.340 -0.000 0.000 0.283 322 L C 0.395 176.949 176.870 -0.527 0.000 1.089 322 L CA 0.475 54.961 54.840 -0.589 0.000 0.833 322 L CB 0.766 42.192 42.059 -1.055 0.000 1.170 322 L HN 0.614 nan 8.230 nan 0.000 0.442 323 T N 1.496 115.785 114.554 -0.442 0.000 3.032 323 T HA 0.353 4.703 4.350 -0.000 0.000 0.312 323 T C 0.633 175.137 174.700 -0.327 0.000 1.078 323 T CA -0.395 61.564 62.100 -0.235 0.000 1.028 323 T CB 0.451 69.341 68.868 0.037 0.000 1.091 323 T HN 0.388 nan 8.240 nan 0.000 0.457 324 Y N 2.983 123.203 120.300 -0.134 0.000 2.497 324 Y HA 0.134 4.684 4.550 -0.000 0.000 0.292 324 Y C 1.386 177.168 175.900 -0.197 0.000 1.137 324 Y CA 0.550 58.445 58.100 -0.342 0.000 1.285 324 Y CB -0.320 37.665 38.460 -0.792 0.000 0.991 324 Y HN 0.649 nan 8.280 nan 0.000 0.556 325 F N -0.606 119.501 119.950 0.262 0.000 2.802 325 F HA 0.120 4.647 4.527 -0.000 0.000 0.300 325 F C 2.123 177.965 175.800 0.069 0.000 1.168 325 F CA 0.035 58.173 58.000 0.229 0.000 1.433 325 F CB -0.774 38.349 39.000 0.206 0.000 1.115 325 F HN 0.037 nan 8.300 nan 0.000 0.582 326 A N 0.205 123.087 122.820 0.103 0.000 1.908 326 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 326 A C 2.417 180.007 177.584 0.011 0.000 1.181 326 A CA 1.876 53.912 52.037 -0.002 0.000 0.627 326 A CB -0.551 18.357 19.000 -0.154 0.000 0.818 326 A HN 0.362 nan 8.150 nan 0.000 0.445 327 K N -0.515 119.888 120.400 0.006 0.000 2.025 327 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 327 K C 2.274 178.956 176.600 0.136 0.000 1.049 327 K CA 1.640 57.979 56.287 0.086 0.000 0.933 327 K CB -0.244 32.354 32.500 0.162 0.000 0.714 327 K HN 0.647 nan 8.250 nan 0.000 0.438 328 Q N -0.112 119.800 119.800 0.187 0.000 2.096 328 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 328 Q C 2.148 178.215 176.000 0.112 0.000 0.982 328 Q CA 1.650 57.560 55.803 0.177 0.000 0.850 328 Q CB -0.212 28.685 28.738 0.265 0.000 0.901 328 Q HN 0.415 nan 8.270 nan 0.000 0.422 329 A N 1.192 124.077 122.820 0.109 0.000 1.902 329 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 329 A C 2.334 179.944 177.584 0.043 0.000 1.181 329 A CA 1.572 53.641 52.037 0.053 0.000 0.623 329 A CB -0.830 18.205 19.000 0.057 0.000 0.818 329 A HN 0.399 nan 8.150 nan 0.000 0.443 330 A N -0.139 122.712 122.820 0.051 0.000 1.902 330 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 330 A C 1.892 179.506 177.584 0.049 0.000 1.181 330 A CA 1.700 53.763 52.037 0.044 0.000 0.623 330 A CB -0.569 18.459 19.000 0.047 0.000 0.818 330 A HN 0.646 nan 8.150 nan 0.000 0.443 331 E N -0.260 119.978 120.200 0.063 0.000 2.038 331 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 331 E C 2.343 178.968 176.600 0.042 0.000 1.000 331 E CA 1.579 58.014 56.400 0.059 0.000 0.803 331 E CB -0.274 29.470 29.700 0.074 0.000 0.750 331 E HN 0.698 nan 8.360 nan 0.000 0.448 332 Q N 0.315 120.136 119.800 0.036 0.000 2.061 332 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 332 Q C 2.451 178.461 176.000 0.017 0.000 0.984 332 Q CA 1.209 57.025 55.803 0.021 0.000 0.846 332 Q CB -0.233 28.509 28.738 0.007 0.000 0.902 332 Q HN 0.346 nan 8.270 nan 0.000 0.421 333 L N 0.192 121.426 121.223 0.018 0.000 2.141 333 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 333 L C 2.713 179.594 176.870 0.018 0.000 1.094 333 L CA 0.764 55.613 54.840 0.015 0.000 0.763 333 L CB -0.409 41.658 42.059 0.014 0.000 0.908 333 L HN 0.154 nan 8.230 nan 0.000 0.437 334 R N 1.340 121.854 120.500 0.023 0.000 2.073 334 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 334 R C 0.839 177.151 176.300 0.021 0.000 1.120 334 R CA 0.772 56.886 56.100 0.024 0.000 0.967 334 R CB -0.104 30.214 30.300 0.029 0.000 0.862 334 R HN 0.231 nan 8.270 nan 0.000 0.436 335 R N 0.815 121.328 120.500 0.022 0.000 2.630 335 R HA 0.083 4.423 4.340 -0.000 0.000 0.286 335 R C -0.065 176.245 176.300 0.017 0.000 1.391 335 R CA 0.502 56.614 56.100 0.020 0.000 1.027 335 R CB -0.198 30.116 30.300 0.022 0.000 1.099 335 R HN 0.378 nan 8.270 nan 0.000 0.525 336 G N 0.000 108.810 108.800 0.016 0.000 5.446 336 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 336 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 336 G CA 0.000 nan 45.100 nan 0.000 0.502 336 G HN 0.000 nan 8.290 nan 0.000 0.925