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 3izi_1_A DATA FIRST_RESID 1 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.094 176.094 0.000 0.000 1.182 1 V CA 0.000 62.300 62.300 0.000 0.000 1.235 1 V CB 0.000 31.825 31.823 0.003 0.000 1.184 2 L N 3.836 125.058 121.223 -0.002 0.000 2.334 2 L HA 0.625 4.965 4.340 -0.001 0.000 0.277 2 L C -2.015 174.851 176.870 -0.006 0.000 1.075 2 L CA -1.443 53.395 54.840 -0.003 0.000 0.804 2 L CB 0.255 42.310 42.059 -0.007 0.000 1.174 2 L HN 0.169 nan 8.230 nan 0.000 0.438 3 P HA 0.067 nan 4.420 nan 0.000 0.272 3 P C -0.636 176.659 177.300 -0.010 0.000 1.223 3 P CA -0.571 62.526 63.100 -0.006 0.000 0.784 3 P CB 0.578 32.276 31.700 -0.004 0.000 0.923 4 E N 1.881 122.075 120.200 -0.010 0.000 2.415 4 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 4 E C 0.627 177.220 176.600 -0.013 0.000 1.016 4 E CA 0.810 57.203 56.400 -0.012 0.000 0.924 4 E CB -0.438 29.256 29.700 -0.010 0.000 0.961 4 E HN 0.610 nan 8.360 nan 0.000 0.459 5 N N 2.355 121.044 118.700 -0.017 0.000 2.990 5 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 5 N C -0.634 174.865 175.510 -0.019 0.000 1.452 5 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 5 N CB -1.140 37.341 38.487 -0.011 0.000 1.088 5 N HN 0.483 nan 8.380 nan 0.000 0.695 6 M N 2.605 122.194 119.600 -0.017 0.000 2.238 6 M HA 0.259 4.739 4.480 -0.001 0.000 0.350 6 M C -0.418 175.860 176.300 -0.037 0.000 1.321 6 M CA 0.494 55.785 55.300 -0.015 0.000 1.097 6 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 6 M HN 0.055 nan 8.290 nan 0.000 0.455 7 K N 4.208 124.584 120.400 -0.040 0.000 2.143 7 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 7 K C -0.640 175.870 176.600 -0.150 0.000 1.001 7 K CA -0.665 55.544 56.287 -0.130 0.000 0.915 7 K CB 1.424 33.843 32.500 -0.135 0.000 1.047 7 K HN 0.635 nan 8.250 nan 0.000 0.458 8 R N 2.451 122.779 120.500 -0.287 0.000 2.628 8 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 8 R C -1.601 174.483 176.300 -0.360 0.000 0.980 8 R CA -0.586 55.399 56.100 -0.191 0.000 0.891 8 R CB 0.949 31.199 30.300 -0.083 0.000 1.188 8 R HN 0.534 nan 8.270 nan 0.000 0.450 9 Y N 4.577 124.888 120.300 0.018 0.000 2.446 9 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 9 Y C 0.263 176.169 175.900 0.010 0.000 0.984 9 Y CA -0.892 57.218 58.100 0.016 0.000 1.058 9 Y CB 2.209 40.683 38.460 0.024 0.000 1.220 9 Y HN 0.404 nan 8.280 nan 0.000 0.455 10 M N 1.102 120.786 119.600 0.140 0.000 2.534 10 M HA 0.754 5.234 4.480 -0.001 0.000 0.280 10 M C 0.042 176.376 176.300 0.057 0.000 1.217 10 M CA -0.203 55.144 55.300 0.078 0.000 0.893 10 M CB 1.311 33.936 32.600 0.042 0.000 1.730 10 M HN 0.845 nan 8.290 nan 0.000 0.483 11 G N 3.037 111.857 108.800 0.034 0.000 2.629 11 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 11 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 11 G C 0.510 175.416 174.900 0.010 0.000 1.217 11 G CA 1.523 46.629 45.100 0.010 0.000 0.994 11 G HN 1.172 nan 8.290 nan 0.000 0.549 12 R N 1.027 121.531 120.500 0.005 0.000 2.159 12 R HA -0.004 4.335 4.340 -0.001 0.000 0.237 12 R C 2.130 178.448 176.300 0.031 0.000 1.131 12 R CA 2.631 58.734 56.100 0.005 0.000 0.982 12 R CB -0.622 29.678 30.300 0.001 0.000 0.868 12 R HN 0.603 nan 8.270 nan 0.000 0.453 13 D N -0.422 120.018 120.400 0.068 0.000 2.162 13 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 13 D C 1.619 178.016 176.300 0.161 0.000 0.967 13 D CA 1.380 55.464 54.000 0.141 0.000 0.840 13 D CB -0.139 40.773 40.800 0.187 0.000 0.972 13 D HN 0.354 nan 8.370 nan 0.000 0.482 14 A N 1.095 123.995 122.820 0.133 0.000 1.930 14 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 14 A C 2.146 179.723 177.584 -0.012 0.000 1.175 14 A CA 1.153 53.241 52.037 0.085 0.000 0.627 14 A CB -0.235 18.817 19.000 0.086 0.000 0.815 14 A HN 0.064 nan 8.150 nan 0.000 0.443 15 Q N -0.701 119.095 119.800 -0.006 0.000 2.062 15 Q HA -0.099 4.241 4.340 -0.001 0.000 0.196 15 Q C 2.276 178.251 176.000 -0.043 0.000 0.967 15 Q CA 1.377 57.165 55.803 -0.026 0.000 0.832 15 Q CB -0.413 28.312 28.738 -0.022 0.000 0.899 15 Q HN 0.750 nan 8.270 nan 0.000 0.442 16 R N 0.296 120.776 120.500 -0.033 0.000 2.083 16 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 16 R C 2.285 178.523 176.300 -0.105 0.000 1.137 16 R CA 1.368 57.441 56.100 -0.044 0.000 0.951 16 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 16 R HN 0.184 nan 8.270 nan 0.000 0.434 17 M N 1.032 120.538 119.600 -0.157 0.000 2.086 17 M HA -0.162 4.317 4.480 -0.001 0.000 0.261 17 M C 1.156 177.250 176.300 -0.344 0.000 1.067 17 M CA 1.813 56.910 55.300 -0.338 0.000 1.116 17 M CB -0.769 31.399 32.600 -0.720 0.000 1.348 17 M HN 0.135 nan 8.290 nan 0.000 0.407 18 N N 0.864 119.426 118.700 -0.230 0.000 2.166 18 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 18 N C 1.809 177.234 175.510 -0.141 0.000 1.019 18 N CA 1.440 54.390 53.050 -0.166 0.000 0.856 18 N CB -0.464 37.971 38.487 -0.088 0.000 0.993 18 N HN 0.483 nan 8.380 nan 0.000 0.426 19 I N 0.129 120.631 120.570 -0.115 0.000 2.315 19 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 19 I C 1.608 177.655 176.117 -0.117 0.000 1.117 19 I CA 0.540 61.790 61.300 -0.084 0.000 1.404 19 I CB -0.034 37.935 38.000 -0.051 0.000 1.071 19 I HN 0.019 nan 8.210 nan 0.000 0.419 20 L N 0.659 121.781 121.223 -0.167 0.000 2.093 20 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 20 L C 2.662 179.377 176.870 -0.259 0.000 1.085 20 L CA 1.966 56.693 54.840 -0.189 0.000 0.755 20 L CB -1.264 40.674 42.059 -0.201 0.000 0.904 20 L HN 0.183 nan 8.230 nan 0.000 0.435 21 A N -0.625 121.957 122.820 -0.397 0.000 1.858 21 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 21 A C 2.409 179.899 177.584 -0.157 0.000 1.190 21 A CA 1.721 53.515 52.037 -0.405 0.000 0.617 21 A CB -1.341 17.406 19.000 -0.422 0.000 0.827 21 A HN 0.419 nan 8.150 nan 0.000 0.443 22 G N -0.927 107.801 108.800 -0.120 0.000 2.402 22 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 22 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 22 G C 1.746 176.609 174.900 -0.060 0.000 1.162 22 G CA 0.985 46.046 45.100 -0.066 0.000 0.777 22 G HN 0.551 nan 8.290 nan 0.000 0.539 23 R N 0.004 120.460 120.500 -0.072 0.000 2.075 23 R HA 0.065 4.404 4.340 -0.001 0.000 0.232 23 R C 2.507 178.776 176.300 -0.052 0.000 1.126 23 R CA 1.042 57.106 56.100 -0.059 0.000 0.963 23 R CB -0.312 29.953 30.300 -0.058 0.000 0.858 23 R HN 0.406 nan 8.270 nan 0.000 0.435 24 I N 0.781 121.315 120.570 -0.060 0.000 2.226 24 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 24 I C 2.071 178.173 176.117 -0.026 0.000 1.100 24 I CA 0.824 62.101 61.300 -0.039 0.000 1.374 24 I CB -0.190 37.789 38.000 -0.036 0.000 1.057 24 I HN 0.213 nan 8.210 nan 0.000 0.413 25 I N 1.061 121.616 120.570 -0.026 0.000 2.179 25 I HA -0.264 3.905 4.170 -0.001 0.000 0.242 25 I C 2.831 178.934 176.117 -0.023 0.000 1.088 25 I CA 1.775 63.065 61.300 -0.017 0.000 1.357 25 I CB -1.506 36.486 38.000 -0.013 0.000 1.051 25 I HN 0.186 nan 8.210 nan 0.000 0.409 26 A N 0.157 122.958 122.820 -0.032 0.000 1.969 26 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 26 A C 2.170 179.733 177.584 -0.035 0.000 1.169 26 A CA 1.174 53.189 52.037 -0.037 0.000 0.635 26 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 26 A HN 0.337 nan 8.150 nan 0.000 0.445 27 E N -0.298 119.883 120.200 -0.033 0.000 2.110 27 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 27 E C 2.084 178.669 176.600 -0.025 0.000 0.988 27 E CA 1.699 58.081 56.400 -0.030 0.000 0.804 27 E CB -0.609 29.074 29.700 -0.028 0.000 0.745 27 E HN 0.600 nan 8.360 nan 0.000 0.458 28 T N 0.741 115.282 114.554 -0.022 0.000 2.770 28 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 28 T C 2.121 176.809 174.700 -0.020 0.000 1.039 28 T CA 0.971 63.060 62.100 -0.018 0.000 1.142 28 T CB -0.098 68.763 68.868 -0.012 0.000 0.868 28 T HN -0.036 nan 8.240 nan 0.000 0.435 29 V N 2.758 122.658 119.914 -0.022 0.000 2.591 29 V HA -0.112 4.008 4.120 -0.001 0.000 0.249 29 V C 2.630 178.707 176.094 -0.028 0.000 1.053 29 V CA 1.500 63.786 62.300 -0.023 0.000 1.068 29 V CB -0.679 31.131 31.823 -0.023 0.000 0.689 29 V HN 0.522 nan 8.190 nan 0.000 0.462 30 R N 1.662 122.142 120.500 -0.033 0.000 2.200 30 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 30 R C 2.064 178.342 176.300 -0.037 0.000 1.127 30 R CA 1.731 57.808 56.100 -0.038 0.000 0.989 30 R CB -0.883 29.392 30.300 -0.042 0.000 0.869 30 R HN 0.598 nan 8.270 nan 0.000 0.459 31 S N 0.285 115.966 115.700 -0.033 0.000 2.555 31 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 31 S C 1.699 176.279 174.600 -0.033 0.000 0.978 31 S CA 0.823 59.004 58.200 -0.033 0.000 0.934 31 S CB -0.063 63.120 63.200 -0.028 0.000 0.766 31 S HN 0.587 nan 8.310 nan 0.000 0.533 32 T N -1.035 113.501 114.554 -0.030 0.000 3.060 32 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 32 T C 0.376 175.058 174.700 -0.031 0.000 1.079 32 T CA -0.496 61.588 62.100 -0.028 0.000 1.013 32 T CB -0.447 68.408 68.868 -0.021 0.000 0.975 32 T HN 0.279 nan 8.240 nan 0.000 0.518 33 L N 2.850 124.052 121.223 -0.036 0.000 2.462 33 L HA 0.522 4.862 4.340 -0.001 0.000 0.272 33 L C 0.702 177.544 176.870 -0.048 0.000 1.166 33 L CA 1.597 56.414 54.840 -0.039 0.000 0.880 33 L CB -0.669 41.364 42.059 -0.044 0.000 1.142 33 L HN 0.703 nan 8.230 nan 0.000 0.473 34 G N 4.044 112.819 108.800 -0.042 0.000 2.663 34 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.686 34 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.686 34 G C -2.115 172.746 174.900 -0.064 0.000 1.288 34 G CA -0.456 44.611 45.100 -0.055 0.000 0.836 34 G HN 0.482 nan 8.290 nan 0.000 0.584 35 P HA -0.009 nan 4.420 nan 0.000 0.219 35 P C 1.370 178.554 177.300 -0.193 0.000 1.146 35 P CA 1.478 64.510 63.100 -0.115 0.000 0.808 35 P CB 0.053 31.605 31.700 -0.247 0.000 0.779 36 K N -0.778 119.484 120.400 -0.230 0.000 2.437 36 K HA 0.266 4.586 4.320 -0.001 0.000 0.205 36 K C 0.932 177.470 176.600 -0.103 0.000 1.026 36 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 36 K CB -0.303 32.069 32.500 -0.214 0.000 0.863 36 K HN 0.017 nan 8.250 nan 0.000 0.502 37 G N 0.522 109.274 108.800 -0.079 0.000 2.594 37 G HA2 0.168 4.128 3.960 -0.001 0.000 0.243 37 G HA3 0.168 4.128 3.960 -0.001 0.000 0.243 37 G C 0.036 174.912 174.900 -0.040 0.000 1.229 37 G CA -0.386 44.682 45.100 -0.053 0.000 0.843 37 G HN -0.020 nan 8.290 nan 0.000 0.578 38 M N 0.070 119.650 119.600 -0.033 0.000 2.705 38 M HA 0.401 4.881 4.480 -0.001 0.000 0.272 38 M C -0.484 175.804 176.300 -0.021 0.000 1.172 38 M CA -0.576 54.708 55.300 -0.026 0.000 0.901 38 M CB 1.236 33.820 32.600 -0.027 0.000 1.516 38 M HN 0.344 nan 8.290 nan 0.000 0.530 39 D N 0.556 120.945 120.400 -0.019 0.000 2.326 39 D HA 0.473 5.113 4.640 -0.001 0.000 0.248 39 D C -0.532 175.756 176.300 -0.019 0.000 1.001 39 D CA -0.335 53.655 54.000 -0.017 0.000 0.961 39 D CB 1.271 42.061 40.800 -0.017 0.000 1.183 39 D HN 0.089 nan 8.370 nan 0.000 0.502 40 K N 0.777 121.166 120.400 -0.019 0.000 2.259 40 K HA 0.433 4.753 4.320 -0.001 0.000 0.252 40 K C -0.579 176.006 176.600 -0.024 0.000 0.936 40 K CA -0.651 55.625 56.287 -0.019 0.000 0.810 40 K CB 2.309 34.800 32.500 -0.015 0.000 1.143 40 K HN 0.428 nan 8.250 nan 0.000 0.427 41 M N 4.056 123.641 119.600 -0.026 0.000 2.036 41 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 41 M C -1.544 174.740 176.300 -0.026 0.000 1.012 41 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 41 M CB 0.314 32.893 32.600 -0.036 0.000 1.423 41 M HN 0.333 nan 8.290 nan 0.000 0.405 42 L N 5.966 127.174 121.223 -0.025 0.000 2.265 42 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 42 L C -0.820 176.041 176.870 -0.016 0.000 1.033 42 L CA -0.236 54.595 54.840 -0.016 0.000 0.814 42 L CB 1.665 43.718 42.059 -0.010 0.000 1.203 42 L HN 0.415 nan 8.230 nan 0.000 0.423 43 V N 2.953 122.860 119.914 -0.012 0.000 2.384 43 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 43 V C -0.198 175.893 176.094 -0.004 0.000 1.020 43 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 43 V CB 1.524 33.340 31.823 -0.011 0.000 0.987 43 V HN 0.789 nan 8.190 nan 0.000 0.436 44 D N 2.373 122.773 120.400 0.000 0.000 2.447 44 D HA 0.055 4.694 4.640 -0.001 0.000 0.265 44 D C 0.889 177.190 176.300 0.002 0.000 1.250 44 D CA -0.473 53.529 54.000 0.002 0.000 1.046 44 D CB 0.644 41.447 40.800 0.006 0.000 1.095 44 D HN 0.429 nan 8.370 nan 0.000 0.555 45 D N -1.692 118.709 120.400 0.002 0.000 2.219 45 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 45 D C 1.495 177.797 176.300 0.003 0.000 0.970 45 D CA 0.687 54.688 54.000 0.002 0.000 0.851 45 D CB 0.005 40.806 40.800 0.001 0.000 0.943 45 D HN 0.193 nan 8.370 nan 0.000 0.488 46 L N -1.098 120.128 121.223 0.005 0.000 2.558 46 L HA 0.346 4.686 4.340 -0.001 0.000 0.225 46 L C 2.043 178.918 176.870 0.008 0.000 1.128 46 L CA 0.974 55.818 54.840 0.007 0.000 0.868 46 L CB 0.131 42.194 42.059 0.008 0.000 1.006 46 L HN 0.276 nan 8.230 nan 0.000 0.454 47 G N -1.499 107.306 108.800 0.007 0.000 2.213 47 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 47 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 47 G C 0.321 175.228 174.900 0.011 0.000 0.992 47 G CA 0.114 45.218 45.100 0.007 0.000 0.632 47 G HN 0.333 nan 8.290 nan 0.000 0.511 48 D N 0.950 121.360 120.400 0.017 0.000 2.401 48 D HA 0.414 5.054 4.640 -0.001 0.000 0.254 48 D C 0.258 176.569 176.300 0.019 0.000 1.192 48 D CA 0.502 54.520 54.000 0.029 0.000 0.885 48 D CB 1.316 42.137 40.800 0.034 0.000 1.147 48 D HN 0.587 nan 8.370 nan 0.000 0.478 49 V N 4.887 124.809 119.914 0.012 0.000 2.555 49 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 49 V C -1.053 175.014 176.094 -0.044 0.000 1.038 49 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 49 V CB 1.904 33.694 31.823 -0.055 0.000 0.991 49 V HN 0.344 nan 8.190 nan 0.000 0.434 50 V N 6.929 126.820 119.914 -0.038 0.000 2.604 50 V HA 0.711 4.830 4.120 -0.001 0.000 0.305 50 V C -0.894 175.168 176.094 -0.054 0.000 1.043 50 V CA -0.232 62.048 62.300 -0.032 0.000 0.888 50 V CB 2.273 34.105 31.823 0.016 0.000 0.995 50 V HN 0.786 nan 8.190 nan 0.000 0.429 51 V N 5.851 125.724 119.914 -0.067 0.000 2.417 51 V HA 0.789 4.909 4.120 -0.001 0.000 0.291 51 V C 0.088 176.171 176.094 -0.018 0.000 1.024 51 V CA 0.020 62.289 62.300 -0.052 0.000 0.861 51 V CB 1.596 33.374 31.823 -0.075 0.000 0.985 51 V HN 1.075 nan 8.190 nan 0.000 0.436 52 T N 2.593 117.140 114.554 -0.013 0.000 2.769 52 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 52 T C 0.069 174.766 174.700 -0.006 0.000 1.400 52 T CA -0.359 61.740 62.100 -0.003 0.000 1.007 52 T CB 1.996 70.866 68.868 0.003 0.000 1.392 52 T HN 0.655 nan 8.240 nan 0.000 0.500 53 N N 0.801 119.500 118.700 -0.002 0.000 2.210 53 N HA 0.082 4.821 4.740 -0.001 0.000 0.203 53 N C -0.315 175.193 175.510 -0.004 0.000 1.175 53 N CA 0.014 53.061 53.050 -0.005 0.000 0.894 53 N CB 0.471 38.956 38.487 -0.004 0.000 1.041 53 N HN 0.693 nan 8.380 nan 0.000 0.506 54 D N -0.098 120.302 120.400 -0.001 0.000 2.401 54 D HA 0.186 4.825 4.640 -0.001 0.000 0.254 54 D C 1.497 177.795 176.300 -0.003 0.000 1.192 54 D CA 0.291 54.291 54.000 -0.000 0.000 0.885 54 D CB 1.011 41.813 40.800 0.004 0.000 1.147 54 D HN 0.269 nan 8.370 nan 0.000 0.478 55 G N 2.612 111.409 108.800 -0.005 0.000 2.440 55 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 55 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 55 G C 1.513 176.411 174.900 -0.004 0.000 1.154 55 G CA 0.731 45.828 45.100 -0.007 0.000 0.767 55 G HN 0.488 nan 8.290 nan 0.000 0.552 56 V N 0.821 120.734 119.914 -0.002 0.000 2.270 56 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 56 V C 3.179 179.274 176.094 0.001 0.000 1.043 56 V CA 2.382 64.682 62.300 0.000 0.000 1.014 56 V CB -0.903 30.921 31.823 0.001 0.000 0.645 56 V HN 0.401 nan 8.190 nan 0.000 0.447 57 T N 0.390 114.945 114.554 0.002 0.000 2.720 57 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 57 T C 1.795 176.496 174.700 0.002 0.000 1.037 57 T CA 1.949 64.051 62.100 0.004 0.000 1.144 57 T CB -0.312 68.560 68.868 0.006 0.000 0.864 57 T HN 0.338 nan 8.240 nan 0.000 0.444 58 I N 0.248 120.818 120.570 -0.000 0.000 2.179 58 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 58 I C 2.114 178.230 176.117 -0.000 0.000 1.088 58 I CA 1.006 62.305 61.300 -0.002 0.000 1.357 58 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 58 I HN 0.156 nan 8.210 nan 0.000 0.409 59 L N 0.171 121.394 121.223 0.000 0.000 2.156 59 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 59 L C 2.493 179.365 176.870 0.003 0.000 1.095 59 L CA 1.496 56.337 54.840 0.002 0.000 0.770 59 L CB -0.956 41.103 42.059 0.001 0.000 0.914 59 L HN 0.151 nan 8.230 nan 0.000 0.439 60 R N -0.108 120.394 120.500 0.003 0.000 2.066 60 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 60 R C 1.924 178.226 176.300 0.004 0.000 1.131 60 R CA 1.237 57.339 56.100 0.004 0.000 0.955 60 R CB 0.044 30.347 30.300 0.004 0.000 0.851 60 R HN 0.320 nan 8.270 nan 0.000 0.432 61 E N 1.037 121.240 120.200 0.003 0.000 2.112 61 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 61 E C 1.207 177.808 176.600 0.002 0.000 0.979 61 E CA 0.535 56.937 56.400 0.004 0.000 0.814 61 E CB -0.354 29.348 29.700 0.004 0.000 0.762 61 E HN 0.462 nan 8.360 nan 0.000 0.460 62 M N 0.715 120.317 119.600 0.002 0.000 2.252 62 M HA 0.098 4.578 4.480 -0.001 0.000 0.333 62 M C 0.208 176.509 176.300 0.002 0.000 1.111 62 M CA 0.140 55.441 55.300 0.002 0.000 1.140 62 M CB 0.433 33.035 32.600 0.002 0.000 1.538 62 M HN -0.230 nan 8.290 nan 0.000 0.448 63 S N 2.362 118.063 115.700 0.000 0.000 2.955 63 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 63 S C -0.253 174.345 174.600 -0.003 0.000 1.198 63 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 63 S CB -0.356 62.841 63.200 -0.005 0.000 1.279 63 S HN 0.570 nan 8.310 nan 0.000 0.508 64 V N 3.390 123.304 119.914 0.000 0.000 2.686 64 V HA 0.215 4.335 4.120 -0.001 0.000 0.295 64 V C 1.393 177.478 176.094 -0.016 0.000 1.055 64 V CA -0.104 62.199 62.300 0.005 0.000 1.050 64 V CB 1.271 33.105 31.823 0.018 0.000 0.984 64 V HN 0.874 nan 8.190 nan 0.000 0.482 65 E N 1.929 122.102 120.200 -0.045 0.000 2.256 65 E HA 0.034 4.384 4.350 -0.001 0.000 0.198 65 E C 0.457 176.968 176.600 -0.150 0.000 0.908 65 E CA 0.194 56.518 56.400 -0.127 0.000 0.915 65 E CB 0.297 29.863 29.700 -0.224 0.000 0.890 65 E HN 0.743 nan 8.360 nan 0.000 0.484 66 H N 1.675 120.734 119.070 -0.019 0.000 2.848 66 H HA 0.074 4.630 4.556 -0.000 0.000 0.317 66 H C -1.675 173.637 175.328 -0.026 0.000 1.046 66 H CA -1.218 54.809 56.048 -0.036 0.000 1.470 66 H CB 1.138 30.865 29.762 -0.059 0.000 1.483 66 H HN 0.082 nan 8.280 nan 0.000 0.548 67 P HA -0.134 nan 4.420 nan 0.000 0.218 67 P C 1.335 178.660 177.300 0.042 0.000 1.148 67 P CA 1.497 64.626 63.100 0.048 0.000 0.822 67 P CB 0.269 31.992 31.700 0.039 0.000 0.784 68 A N 0.241 123.087 122.820 0.043 0.000 1.902 68 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 68 A C 2.331 179.923 177.584 0.013 0.000 1.181 68 A CA 2.155 54.199 52.037 0.011 0.000 0.623 68 A CB -1.602 17.379 19.000 -0.032 0.000 0.818 68 A HN 0.203 nan 8.150 nan 0.000 0.443 69 A N -0.280 122.560 122.820 0.033 0.000 1.933 69 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 69 A C 2.070 179.669 177.584 0.025 0.000 1.175 69 A CA 1.732 53.786 52.037 0.028 0.000 0.628 69 A CB -0.408 18.626 19.000 0.055 0.000 0.814 69 A HN 0.555 nan 8.150 nan 0.000 0.444 70 K N -0.995 119.424 120.400 0.031 0.000 2.147 70 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 70 K C 1.830 178.440 176.600 0.017 0.000 1.049 70 K CA 1.326 57.626 56.287 0.021 0.000 0.936 70 K CB -0.185 32.327 32.500 0.021 0.000 0.722 70 K HN 0.376 nan 8.250 nan 0.000 0.446 71 M N 0.344 119.954 119.600 0.017 0.000 2.334 71 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 71 M C 2.136 178.444 176.300 0.013 0.000 1.082 71 M CA 1.027 56.336 55.300 0.015 0.000 1.141 71 M CB -0.607 32.003 32.600 0.017 0.000 1.380 71 M HN 0.183 nan 8.290 nan 0.000 0.440 72 L N 0.336 121.565 121.223 0.010 0.000 2.083 72 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 72 L C 2.218 179.091 176.870 0.005 0.000 1.083 72 L CA 1.040 55.883 54.840 0.006 0.000 0.752 72 L CB -0.198 41.861 42.059 -0.001 0.000 0.899 72 L HN 0.181 nan 8.230 nan 0.000 0.433 73 I N -0.320 120.254 120.570 0.006 0.000 2.335 73 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 73 I C 2.367 178.488 176.117 0.005 0.000 1.129 73 I CA 1.037 62.341 61.300 0.005 0.000 1.402 73 I CB -0.340 37.664 38.000 0.007 0.000 1.069 73 I HN 0.305 nan 8.210 nan 0.000 0.424 74 E N 0.394 120.598 120.200 0.008 0.000 2.204 74 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 74 E C 2.401 179.005 176.600 0.007 0.000 0.990 74 E CA 1.061 57.465 56.400 0.008 0.000 0.821 74 E CB -0.207 29.499 29.700 0.010 0.000 0.750 74 E HN 0.384 nan 8.360 nan 0.000 0.477 75 V N 1.487 121.405 119.914 0.007 0.000 2.307 75 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 75 V C 2.479 178.575 176.094 0.002 0.000 1.045 75 V CA 1.755 64.058 62.300 0.006 0.000 1.024 75 V CB -0.852 30.974 31.823 0.005 0.000 0.651 75 V HN 0.241 nan 8.190 nan 0.000 0.449 76 A N -0.285 122.535 122.820 0.000 0.000 1.940 76 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 76 A C 2.295 179.879 177.584 0.001 0.000 1.176 76 A CA 2.029 54.065 52.037 -0.001 0.000 0.631 76 A CB -0.416 18.583 19.000 -0.002 0.000 0.814 76 A HN 0.557 nan 8.150 nan 0.000 0.446 77 K N -1.606 118.795 120.400 0.002 0.000 2.062 77 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 77 K C 2.136 178.738 176.600 0.003 0.000 1.051 77 K CA 1.533 57.822 56.287 0.003 0.000 0.941 77 K CB -0.366 32.136 32.500 0.004 0.000 0.719 77 K HN 0.422 nan 8.250 nan 0.000 0.440 78 T N 0.773 115.329 114.554 0.004 0.000 2.995 78 T HA -0.073 4.277 4.350 -0.001 0.000 0.269 78 T C 1.774 176.476 174.700 0.004 0.000 1.091 78 T CA 0.808 62.910 62.100 0.004 0.000 1.128 78 T CB 0.067 68.939 68.868 0.006 0.000 0.891 78 T HN 0.085 nan 8.240 nan 0.000 0.492 79 Q N 0.957 120.758 119.800 0.003 0.000 2.020 79 Q HA -0.046 4.294 4.340 -0.001 0.000 0.202 79 Q C 2.301 178.302 176.000 0.001 0.000 0.982 79 Q CA 1.236 57.040 55.803 0.001 0.000 0.838 79 Q CB -0.484 28.254 28.738 -0.001 0.000 0.899 79 Q HN 0.538 nan 8.270 nan 0.000 0.423 80 E N 0.905 121.106 120.200 0.001 0.000 2.106 80 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 80 E C 1.720 178.321 176.600 0.002 0.000 0.984 80 E CA 0.954 57.355 56.400 0.002 0.000 0.806 80 E CB 0.229 29.930 29.700 0.002 0.000 0.750 80 E HN 0.282 nan 8.360 nan 0.000 0.458 81 K N 0.074 120.475 120.400 0.002 0.000 2.076 81 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 81 K C 2.154 178.755 176.600 0.002 0.000 1.051 81 K CA 1.187 57.475 56.287 0.002 0.000 0.949 81 K CB -0.013 32.489 32.500 0.002 0.000 0.726 81 K HN -0.088 nan 8.250 nan 0.000 0.443 82 E N 0.335 120.537 120.200 0.002 0.000 2.086 82 E HA -0.096 4.253 4.350 -0.001 0.000 0.190 82 E C 1.594 178.195 176.600 0.002 0.000 0.975 82 E CA 1.102 57.503 56.400 0.003 0.000 0.813 82 E CB 0.516 30.218 29.700 0.003 0.000 0.768 82 E HN 0.160 nan 8.360 nan 0.000 0.457 83 V N -4.944 114.972 119.914 0.002 0.000 3.497 83 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 83 V C 1.389 177.485 176.094 0.003 0.000 1.474 83 V CA 0.742 63.043 62.300 0.003 0.000 1.025 83 V CB 0.494 32.319 31.823 0.003 0.000 0.820 83 V HN 0.304 nan 8.190 nan 0.000 0.437 84 G N 0.693 109.494 108.800 0.002 0.000 3.586 84 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 84 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 84 G C 0.203 175.104 174.900 0.002 0.000 1.411 84 G CA 0.498 45.600 45.100 0.003 0.000 0.898 84 G HN 0.628 nan 8.290 nan 0.000 0.575 85 D N 0.803 121.205 120.400 0.003 0.000 2.511 85 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 85 D C 1.520 177.819 176.300 -0.001 0.000 1.220 85 D CA 1.159 55.160 54.000 0.002 0.000 1.077 85 D CB 0.655 41.458 40.800 0.004 0.000 1.126 85 D HN 1.595 nan 8.370 nan 0.000 0.583 86 G N -0.629 108.169 108.800 -0.004 0.000 2.143 86 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.249 86 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.249 86 G C 1.036 175.930 174.900 -0.011 0.000 0.981 86 G CA 1.481 46.576 45.100 -0.008 0.000 0.665 86 G HN 0.593 nan 8.290 nan 0.000 0.528 87 T N -2.060 112.489 114.554 -0.009 0.000 2.588 87 T HA -0.149 4.200 4.350 -0.001 0.000 0.261 87 T C 2.202 176.893 174.700 -0.016 0.000 1.069 87 T CA 2.621 64.715 62.100 -0.010 0.000 1.172 87 T CB -1.009 67.855 68.868 -0.007 0.000 0.863 87 T HN 0.342 nan 8.240 nan 0.000 0.408 88 T N 1.847 116.391 114.554 -0.017 0.000 2.635 88 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 88 T C 2.275 176.956 174.700 -0.032 0.000 1.040 88 T CA 2.087 64.173 62.100 -0.024 0.000 1.156 88 T CB -1.240 67.614 68.868 -0.024 0.000 0.863 88 T HN 0.566 nan 8.240 nan 0.000 0.430 89 T N 1.999 116.533 114.554 -0.032 0.000 2.635 89 T HA -0.160 4.190 4.350 -0.001 0.000 0.267 89 T C 2.345 177.015 174.700 -0.050 0.000 1.040 89 T CA 1.527 63.602 62.100 -0.042 0.000 1.156 89 T CB -0.698 68.148 68.868 -0.036 0.000 0.863 89 T HN 0.473 nan 8.240 nan 0.000 0.430 90 A N 0.662 123.459 122.820 -0.038 0.000 1.933 90 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 90 A C 2.601 180.160 177.584 -0.042 0.000 1.175 90 A CA 1.438 53.453 52.037 -0.038 0.000 0.628 90 A CB -0.905 18.082 19.000 -0.020 0.000 0.814 90 A HN 0.377 nan 8.150 nan 0.000 0.444 91 V N -0.507 119.386 119.914 -0.036 0.000 2.358 91 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 91 V C 2.548 178.613 176.094 -0.048 0.000 1.047 91 V CA 1.834 64.114 62.300 -0.035 0.000 1.035 91 V CB -0.734 31.073 31.823 -0.026 0.000 0.658 91 V HN 0.362 nan 8.190 nan 0.000 0.452 92 V N 0.848 120.729 119.914 -0.055 0.000 2.307 92 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 92 V C 2.582 178.623 176.094 -0.088 0.000 1.045 92 V CA 2.184 64.445 62.300 -0.065 0.000 1.024 92 V CB -0.539 31.246 31.823 -0.063 0.000 0.651 92 V HN 0.564 nan 8.190 nan 0.000 0.449 93 V N -0.949 118.900 119.914 -0.109 0.000 2.626 93 V HA -0.065 4.054 4.120 -0.001 0.000 0.252 93 V C 2.405 178.397 176.094 -0.170 0.000 1.067 93 V CA 1.688 63.889 62.300 -0.165 0.000 1.081 93 V CB -1.233 30.469 31.823 -0.203 0.000 0.686 93 V HN 0.372 nan 8.190 nan 0.000 0.468 94 A N 1.571 124.324 122.820 -0.111 0.000 1.873 94 A HA 0.095 4.415 4.320 -0.001 0.000 0.215 94 A C 2.396 179.943 177.584 -0.062 0.000 1.186 94 A CA 1.858 53.849 52.037 -0.076 0.000 0.616 94 A CB -1.483 17.493 19.000 -0.040 0.000 0.823 94 A HN 0.671 nan 8.150 nan 0.000 0.442 95 G N -0.742 108.022 108.800 -0.061 0.000 2.408 95 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 95 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 95 G C 1.461 176.327 174.900 -0.057 0.000 1.150 95 G CA 1.289 46.358 45.100 -0.052 0.000 0.776 95 G HN 0.535 nan 8.290 nan 0.000 0.542 96 E N 0.337 120.487 120.200 -0.082 0.000 2.072 96 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 96 E C 2.528 179.071 176.600 -0.094 0.000 0.985 96 E CA 0.512 56.858 56.400 -0.091 0.000 0.801 96 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 96 E HN 0.419 nan 8.360 nan 0.000 0.452 97 L N -0.082 121.057 121.223 -0.141 0.000 2.046 97 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 97 L C 2.424 179.327 176.870 0.056 0.000 1.077 97 L CA 0.941 55.687 54.840 -0.158 0.000 0.747 97 L CB -0.384 41.499 42.059 -0.293 0.000 0.896 97 L HN 0.220 nan 8.230 nan 0.000 0.432 98 L N -0.761 120.486 121.223 0.041 0.000 2.046 98 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 98 L C 2.825 179.719 176.870 0.041 0.000 1.077 98 L CA 1.130 56.007 54.840 0.061 0.000 0.747 98 L CB -0.518 41.549 42.059 0.013 0.000 0.896 98 L HN 0.256 nan 8.230 nan 0.000 0.432 99 R N 0.344 120.850 120.500 0.010 0.000 2.083 99 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 99 R C 2.285 178.603 176.300 0.029 0.000 1.137 99 R CA 1.297 57.400 56.100 0.005 0.000 0.951 99 R CB 0.054 30.345 30.300 -0.015 0.000 0.851 99 R HN 0.148 nan 8.270 nan 0.000 0.434 100 K N 0.225 120.654 120.400 0.050 0.000 2.148 100 K HA -0.050 4.270 4.320 -0.001 0.000 0.204 100 K C 1.944 178.624 176.600 0.134 0.000 1.050 100 K CA 1.184 57.524 56.287 0.089 0.000 0.942 100 K CB -0.326 32.235 32.500 0.102 0.000 0.724 100 K HN 0.272 nan 8.250 nan 0.000 0.446 101 A N 1.425 124.345 122.820 0.168 0.000 1.883 101 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 101 A C 2.198 179.806 177.584 0.040 0.000 1.186 101 A CA 1.914 54.027 52.037 0.126 0.000 0.624 101 A CB -0.465 18.616 19.000 0.135 0.000 0.822 101 A HN 0.456 nan 8.150 nan 0.000 0.444 102 E N -0.469 119.749 120.200 0.030 0.000 2.106 102 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 102 E C 2.003 178.608 176.600 0.008 0.000 0.984 102 E CA 1.124 57.528 56.400 0.006 0.000 0.806 102 E CB -0.149 29.551 29.700 0.001 0.000 0.750 102 E HN 0.750 nan 8.360 nan 0.000 0.458 103 E N -0.086 120.127 120.200 0.021 0.000 2.070 103 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 103 E C 1.911 178.522 176.600 0.019 0.000 1.004 103 E CA 1.142 57.554 56.400 0.021 0.000 0.805 103 E CB 0.050 29.767 29.700 0.030 0.000 0.744 103 E HN 0.209 nan 8.360 nan 0.000 0.451 104 L N 0.279 121.517 121.223 0.025 0.000 2.109 104 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 104 L C 2.261 179.127 176.870 -0.008 0.000 1.086 104 L CA 0.962 55.811 54.840 0.015 0.000 0.760 104 L CB -0.692 41.378 42.059 0.019 0.000 0.910 104 L HN 0.233 nan 8.230 nan 0.000 0.437 105 L N -0.653 120.557 121.223 -0.021 0.000 2.083 105 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 105 L C 2.120 178.972 176.870 -0.031 0.000 1.083 105 L CA 1.650 56.464 54.840 -0.043 0.000 0.752 105 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 105 L HN 0.280 nan 8.230 nan 0.000 0.433 106 D N -1.814 118.577 120.400 -0.015 0.000 2.249 106 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 106 D C 1.778 178.076 176.300 -0.003 0.000 0.962 106 D CA 0.468 54.463 54.000 -0.009 0.000 0.860 106 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 106 D HN 0.193 nan 8.370 nan 0.000 0.505 107 Q N 0.140 119.941 119.800 0.001 0.000 2.373 107 Q HA 0.060 4.400 4.340 -0.001 0.000 0.206 107 Q C 0.005 176.008 176.000 0.007 0.000 0.942 107 Q CA 0.132 55.939 55.803 0.006 0.000 0.953 107 Q CB 0.206 28.951 28.738 0.012 0.000 1.022 107 Q HN 0.252 nan 8.270 nan 0.000 0.502 108 N N -0.855 117.847 118.700 0.003 0.000 2.861 108 N HA -0.138 4.601 4.740 -0.001 0.000 0.247 108 N C -1.582 173.939 175.510 0.019 0.000 1.117 108 N CA 0.262 53.318 53.050 0.010 0.000 0.703 108 N CB -1.071 37.424 38.487 0.013 0.000 1.052 108 N HN -0.046 nan 8.380 nan 0.000 0.555 109 V N 1.825 121.746 119.914 0.010 0.000 2.334 109 V HA 0.230 4.350 4.120 -0.001 0.000 0.281 109 V C 0.622 176.727 176.094 0.019 0.000 1.016 109 V CA -0.870 61.442 62.300 0.019 0.000 0.832 109 V CB 1.245 33.070 31.823 0.004 0.000 0.999 109 V HN 0.306 nan 8.190 nan 0.000 0.439 110 H N 7.785 126.835 119.070 -0.033 0.000 2.928 110 H HA 0.097 4.653 4.556 -0.000 0.000 0.338 110 H C -1.731 173.565 175.328 -0.053 0.000 1.047 110 H CA -1.268 54.759 56.048 -0.035 0.000 1.435 110 H CB 1.944 31.689 29.762 -0.029 0.000 1.428 110 H HN 0.351 nan 8.280 nan 0.000 0.590 111 P HA -0.188 nan 4.420 nan 0.000 0.217 111 P C 1.401 178.729 177.300 0.045 0.000 1.148 111 P CA 2.460 65.499 63.100 -0.103 0.000 0.834 111 P CB 0.019 31.610 31.700 -0.182 0.000 0.783 112 T N -4.101 110.630 114.554 0.295 0.000 2.995 112 T HA -0.063 4.286 4.350 -0.001 0.000 0.269 112 T C 1.623 176.347 174.700 0.039 0.000 1.091 112 T CA 0.807 62.992 62.100 0.141 0.000 1.128 112 T CB -0.940 67.988 68.868 0.099 0.000 0.891 112 T HN -0.048 nan 8.240 nan 0.000 0.492 113 I N 0.880 121.477 120.570 0.046 0.000 2.480 113 I HA 0.042 4.212 4.170 -0.001 0.000 0.251 113 I C 2.576 178.640 176.117 -0.088 0.000 1.124 113 I CA 0.384 61.675 61.300 -0.016 0.000 1.444 113 I CB -0.284 37.719 38.000 0.004 0.000 1.098 113 I HN 0.072 nan 8.210 nan 0.000 0.428 114 V N 0.723 120.551 119.914 -0.144 0.000 2.295 114 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 114 V C 2.561 178.323 176.094 -0.554 0.000 1.049 114 V CA 2.040 64.118 62.300 -0.371 0.000 1.024 114 V CB -0.767 30.842 31.823 -0.356 0.000 0.648 114 V HN 0.439 nan 8.190 nan 0.000 0.447 115 V N -0.706 119.038 119.914 -0.283 0.000 2.667 115 V HA -0.144 3.976 4.120 -0.001 0.000 0.252 115 V C 2.361 178.414 176.094 -0.069 0.000 1.065 115 V CA 2.188 64.397 62.300 -0.153 0.000 1.083 115 V CB -0.798 30.993 31.823 -0.053 0.000 0.692 115 V HN 0.514 nan 8.190 nan 0.000 0.468 116 K N 2.305 122.663 120.400 -0.069 0.000 2.031 116 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 116 K C 2.122 178.714 176.600 -0.013 0.000 1.049 116 K CA 2.010 58.280 56.287 -0.029 0.000 0.939 116 K CB -1.265 31.220 32.500 -0.026 0.000 0.717 116 K HN 0.426 nan 8.250 nan 0.000 0.438 117 G N -0.715 108.069 108.800 -0.027 0.000 2.408 117 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 117 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 117 G C 1.136 176.110 174.900 0.125 0.000 1.150 117 G CA 0.719 45.851 45.100 0.054 0.000 0.776 117 G HN 0.271 nan 8.290 nan 0.000 0.542 118 Y N 0.341 120.590 120.300 -0.086 0.000 2.263 118 Y HA -0.021 4.529 4.550 -0.001 0.000 0.292 118 Y C 2.853 178.537 175.900 -0.360 0.000 1.130 118 Y CA 0.916 58.890 58.100 -0.211 0.000 1.179 118 Y CB -0.929 37.602 38.460 0.117 0.000 0.998 118 Y HN 0.264 nan 8.280 nan 0.000 0.532 119 Q N 0.422 120.229 119.800 0.012 0.000 2.083 119 Q HA -0.047 4.292 4.340 -0.001 0.000 0.198 119 Q C 2.362 178.303 176.000 -0.098 0.000 0.969 119 Q CA 1.742 57.526 55.803 -0.032 0.000 0.838 119 Q CB -0.455 28.287 28.738 0.007 0.000 0.900 119 Q HN 0.319 nan 8.270 nan 0.000 0.436 120 A N 0.265 123.052 122.820 -0.054 0.000 1.873 120 A HA -0.009 4.311 4.320 -0.001 0.000 0.215 120 A C 2.276 179.817 177.584 -0.072 0.000 1.186 120 A CA 1.849 53.901 52.037 0.024 0.000 0.616 120 A CB -1.160 17.931 19.000 0.151 0.000 0.823 120 A HN 0.500 nan 8.150 nan 0.000 0.442 121 A N -0.298 122.390 122.820 -0.221 0.000 1.930 121 A HA 0.225 4.544 4.320 -0.001 0.000 0.217 121 A C 2.452 179.688 177.584 -0.579 0.000 1.175 121 A CA 1.884 53.654 52.037 -0.445 0.000 0.627 121 A CB -0.861 17.764 19.000 -0.625 0.000 0.815 121 A HN 0.995 nan 8.150 nan 0.000 0.443 122 A N -1.155 121.255 122.820 -0.684 0.000 1.930 122 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 122 A C 2.111 179.603 177.584 -0.153 0.000 1.175 122 A CA 1.491 53.365 52.037 -0.272 0.000 0.627 122 A CB -0.391 18.525 19.000 -0.140 0.000 0.815 122 A HN 0.465 nan 8.150 nan 0.000 0.443 123 Q N -0.308 119.389 119.800 -0.172 0.000 2.119 123 Q HA -0.167 4.172 4.340 -0.001 0.000 0.201 123 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 123 Q CA 1.846 57.573 55.803 -0.127 0.000 0.847 123 Q CB -0.337 28.348 28.738 -0.087 0.000 0.903 123 Q HN 0.633 nan 8.270 nan 0.000 0.433 124 K N 0.911 121.113 120.400 -0.330 0.000 2.148 124 K HA 0.009 4.329 4.320 -0.001 0.000 0.204 124 K C 1.822 178.269 176.600 -0.255 0.000 1.050 124 K CA 1.150 57.172 56.287 -0.441 0.000 0.942 124 K CB -0.362 31.490 32.500 -1.079 0.000 0.724 124 K HN 0.124 nan 8.250 nan 0.000 0.446 125 A N 0.534 123.243 122.820 -0.184 0.000 1.933 125 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 125 A C 2.036 179.597 177.584 -0.039 0.000 1.175 125 A CA 1.582 53.584 52.037 -0.058 0.000 0.628 125 A CB -0.484 18.545 19.000 0.049 0.000 0.814 125 A HN 0.497 nan 8.150 nan 0.000 0.444 126 Q N -0.878 118.892 119.800 -0.051 0.000 2.084 126 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 126 Q C 2.140 178.119 176.000 -0.035 0.000 0.978 126 Q CA 1.637 57.420 55.803 -0.033 0.000 0.844 126 Q CB -0.160 28.559 28.738 -0.033 0.000 0.898 126 Q HN 0.863 nan 8.270 nan 0.000 0.426 127 E N 0.766 120.932 120.200 -0.056 0.000 2.072 127 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 127 E C 1.988 178.567 176.600 -0.035 0.000 0.985 127 E CA 0.632 57.004 56.400 -0.047 0.000 0.801 127 E CB 0.001 29.664 29.700 -0.063 0.000 0.750 127 E HN 0.295 nan 8.360 nan 0.000 0.452 128 L N 0.601 121.797 121.223 -0.045 0.000 2.042 128 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 128 L C 2.565 179.434 176.870 -0.002 0.000 1.076 128 L CA 0.922 55.749 54.840 -0.021 0.000 0.749 128 L CB -0.327 41.717 42.059 -0.024 0.000 0.893 128 L HN 0.265 nan 8.230 nan 0.000 0.432 129 L N -0.796 120.425 121.223 -0.004 0.000 2.109 129 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 129 L C 2.610 179.482 176.870 0.004 0.000 1.086 129 L CA 0.783 55.626 54.840 0.004 0.000 0.760 129 L CB -0.429 41.632 42.059 0.004 0.000 0.910 129 L HN 0.164 nan 8.230 nan 0.000 0.437 130 K N -0.150 120.249 120.400 -0.003 0.000 2.211 130 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 130 K C 2.071 178.671 176.600 0.001 0.000 1.050 130 K CA 1.770 58.056 56.287 -0.002 0.000 0.945 130 K CB -0.354 32.142 32.500 -0.006 0.000 0.732 130 K HN 0.466 nan 8.250 nan 0.000 0.451 131 T N -1.889 112.666 114.554 0.001 0.000 3.040 131 T HA 0.062 4.412 4.350 -0.001 0.000 0.252 131 T C 1.831 176.537 174.700 0.009 0.000 1.064 131 T CA -0.016 62.087 62.100 0.004 0.000 1.110 131 T CB -0.007 68.863 68.868 0.002 0.000 0.921 131 T HN -0.063 nan 8.240 nan 0.000 0.480 132 I N 2.135 122.714 120.570 0.015 0.000 2.876 132 I HA 0.442 4.612 4.170 -0.001 0.000 0.264 132 I C 1.403 177.533 176.117 0.022 0.000 1.204 132 I CA -0.626 60.689 61.300 0.025 0.000 1.485 132 I CB -0.617 37.409 38.000 0.043 0.000 1.103 132 I HN 0.347 nan 8.210 nan 0.000 0.446 133 A N 0.038 122.867 122.820 0.016 0.000 2.561 133 A HA 0.097 4.416 4.320 -0.001 0.000 0.234 133 A C 0.089 177.680 177.584 0.011 0.000 1.055 133 A CA 0.045 52.090 52.037 0.013 0.000 0.756 133 A CB -0.469 18.536 19.000 0.009 0.000 0.986 133 A HN 0.433 nan 8.150 nan 0.000 0.505 134 C N 3.129 122.436 119.300 0.011 0.000 2.264 134 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 134 C C 0.366 175.360 174.990 0.006 0.000 1.267 134 C CA -0.579 58.444 59.018 0.008 0.000 1.618 134 C CB -0.511 27.235 27.740 0.010 0.000 2.278 134 C HN 0.932 nan 8.230 nan 0.000 0.499 135 E N 1.336 121.538 120.200 0.004 0.000 2.414 135 E HA 0.359 4.708 4.350 -0.001 0.000 0.263 135 E C -0.138 176.464 176.600 0.003 0.000 1.000 135 E CA 0.403 56.806 56.400 0.003 0.000 0.914 135 E CB 0.522 30.224 29.700 0.002 0.000 0.948 135 E HN 0.497 nan 8.360 nan 0.000 0.444 136 V N 2.144 122.060 119.914 0.003 0.000 3.087 136 V HA 0.628 4.747 4.120 -0.001 0.000 0.306 136 V C -0.188 175.908 176.094 0.002 0.000 1.187 136 V CA -0.589 61.712 62.300 0.003 0.000 0.999 136 V CB 2.255 34.080 31.823 0.003 0.000 1.049 136 V HN 0.751 nan 8.190 nan 0.000 0.431 137 G N 3.159 111.960 108.800 0.002 0.000 2.254 137 G HA2 0.402 4.362 3.960 -0.001 0.000 0.253 137 G HA3 0.402 4.362 3.960 -0.001 0.000 0.253 137 G C 1.028 175.929 174.900 0.002 0.000 1.246 137 G CA 0.383 45.484 45.100 0.002 0.000 0.946 137 G HN 1.559 nan 8.290 nan 0.000 0.474 138 A N 2.638 125.459 122.820 0.002 0.000 1.933 138 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 138 A C 2.052 179.637 177.584 0.003 0.000 1.175 138 A CA 1.214 53.252 52.037 0.002 0.000 0.628 138 A CB -0.023 18.978 19.000 0.002 0.000 0.814 138 A HN 0.577 nan 8.150 nan 0.000 0.444 139 Q N -0.206 119.596 119.800 0.003 0.000 2.198 139 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 139 Q C -0.746 175.255 176.000 0.003 0.000 0.848 139 Q CA -0.124 55.681 55.803 0.003 0.000 0.974 139 Q CB 0.062 28.802 28.738 0.003 0.000 1.115 139 Q HN 0.745 nan 8.270 nan 0.000 0.494 140 D N 1.072 121.473 120.400 0.002 0.000 2.412 140 D HA -0.048 4.591 4.640 -0.001 0.000 0.257 140 D C 1.234 177.535 176.300 0.001 0.000 1.217 140 D CA 0.159 54.160 54.000 0.001 0.000 0.897 140 D CB 0.917 41.717 40.800 0.001 0.000 1.132 140 D HN -0.220 nan 8.370 nan 0.000 0.493 141 K N 2.996 123.396 120.400 0.001 0.000 2.077 141 K HA -0.257 4.062 4.320 -0.001 0.000 0.213 141 K C 1.448 178.048 176.600 -0.001 0.000 1.051 141 K CA 1.687 57.974 56.287 0.000 0.000 0.929 141 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 141 K HN 0.492 nan 8.250 nan 0.000 0.451 142 E N 0.050 120.249 120.200 -0.002 0.000 2.017 142 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 142 E C 2.113 178.712 176.600 -0.003 0.000 0.997 142 E CA 1.400 57.797 56.400 -0.004 0.000 0.804 142 E CB -0.469 29.229 29.700 -0.004 0.000 0.757 142 E HN 0.343 nan 8.360 nan 0.000 0.448 143 I N 1.215 121.784 120.570 -0.001 0.000 2.335 143 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 143 I C 2.247 178.365 176.117 0.001 0.000 1.129 143 I CA 0.940 62.240 61.300 -0.000 0.000 1.402 143 I CB -0.164 37.837 38.000 0.001 0.000 1.069 143 I HN 0.035 nan 8.210 nan 0.000 0.424 144 L N -0.418 120.806 121.223 0.001 0.000 2.056 144 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 144 L C 2.496 179.367 176.870 0.001 0.000 1.078 144 L CA 1.858 56.699 54.840 0.002 0.000 0.749 144 L CB -1.173 40.887 42.059 0.002 0.000 0.901 144 L HN 0.405 nan 8.230 nan 0.000 0.433 145 T N -3.741 110.812 114.554 -0.001 0.000 2.985 145 T HA -0.094 4.256 4.350 -0.001 0.000 0.266 145 T C 1.862 176.559 174.700 -0.005 0.000 1.076 145 T CA 0.576 62.674 62.100 -0.003 0.000 1.135 145 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 145 T HN 0.005 nan 8.240 nan 0.000 0.480 146 K N 0.795 121.191 120.400 -0.005 0.000 2.062 146 K HA 0.249 4.569 4.320 -0.001 0.000 0.205 146 K C 2.126 178.726 176.600 -0.001 0.000 1.051 146 K CA 0.592 56.875 56.287 -0.007 0.000 0.941 146 K CB -0.428 32.068 32.500 -0.006 0.000 0.719 146 K HN 0.266 nan 8.250 nan 0.000 0.440 147 I N 0.740 121.312 120.570 0.002 0.000 2.179 147 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 147 I C 2.162 178.284 176.117 0.007 0.000 1.088 147 I CA 1.436 62.739 61.300 0.006 0.000 1.357 147 I CB -1.336 36.668 38.000 0.006 0.000 1.051 147 I HN 0.090 nan 8.210 nan 0.000 0.409 148 A N 0.817 123.640 122.820 0.005 0.000 1.873 148 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 148 A C 2.410 179.998 177.584 0.007 0.000 1.193 148 A CA 2.002 54.043 52.037 0.006 0.000 0.629 148 A CB -0.637 18.365 19.000 0.004 0.000 0.826 148 A HN 0.355 nan 8.150 nan 0.000 0.447 149 M N -0.313 119.289 119.600 0.003 0.000 2.132 149 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 149 M C 2.428 178.735 176.300 0.012 0.000 1.065 149 M CA 2.019 57.319 55.300 0.000 0.000 1.122 149 M CB -0.746 31.845 32.600 -0.016 0.000 1.365 149 M HN 0.725 nan 8.290 nan 0.000 0.411 150 T N -2.714 111.849 114.554 0.015 0.000 2.867 150 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 150 T C 1.888 176.613 174.700 0.042 0.000 1.057 150 T CA 1.630 63.751 62.100 0.035 0.000 1.136 150 T CB -0.457 68.429 68.868 0.031 0.000 0.874 150 T HN 0.298 nan 8.240 nan 0.000 0.466 151 S N 0.924 116.641 115.700 0.028 0.000 2.368 151 S HA 0.049 4.519 4.470 -0.001 0.000 0.224 151 S C 2.001 176.619 174.600 0.029 0.000 1.029 151 S CA 0.728 58.943 58.200 0.025 0.000 0.988 151 S CB -0.617 62.593 63.200 0.017 0.000 0.838 151 S HN 0.589 nan 8.310 nan 0.000 0.462 152 I N 1.759 122.346 120.570 0.029 0.000 2.361 152 I HA -0.100 4.069 4.170 -0.001 0.000 0.251 152 I C 1.275 177.420 176.117 0.047 0.000 1.133 152 I CA 0.893 62.212 61.300 0.031 0.000 1.413 152 I CB -0.905 37.109 38.000 0.024 0.000 1.073 152 I HN 0.429 nan 8.210 nan 0.000 0.424 153 T N -0.587 114.008 114.554 0.069 0.000 2.932 153 T HA 0.321 4.670 4.350 -0.001 0.000 0.312 153 T C 1.160 175.918 174.700 0.097 0.000 1.071 153 T CA 0.101 62.273 62.100 0.121 0.000 1.128 153 T CB 1.288 70.281 68.868 0.209 0.000 0.984 153 T HN 0.604 nan 8.240 nan 0.000 0.549 154 G N 1.510 110.368 108.800 0.097 0.000 2.176 154 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 154 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 154 G C -0.068 174.848 174.900 0.028 0.000 0.979 154 G CA 0.392 45.515 45.100 0.037 0.000 0.641 154 G HN 0.943 nan 8.290 nan 0.000 0.530 155 K N -0.941 119.483 120.400 0.040 0.000 2.350 155 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 155 K C 1.495 178.115 176.600 0.035 0.000 0.994 155 K CA -0.521 55.785 56.287 0.030 0.000 0.839 155 K CB 1.434 33.951 32.500 0.027 0.000 1.244 155 K HN 0.160 nan 8.250 nan 0.000 0.443 156 G N 0.376 109.192 108.800 0.028 0.000 2.422 156 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 156 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 156 G C 1.290 176.208 174.900 0.030 0.000 1.140 156 G CA 0.985 46.102 45.100 0.029 0.000 0.775 156 G HN 0.616 nan 8.290 nan 0.000 0.545 157 A N 1.689 124.527 122.820 0.028 0.000 2.125 157 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 157 A C 2.131 179.730 177.584 0.025 0.000 1.156 157 A CA 1.763 53.815 52.037 0.025 0.000 0.671 157 A CB -0.438 18.576 19.000 0.023 0.000 0.794 157 A HN 0.662 nan 8.150 nan 0.000 0.459 158 E N 1.232 121.452 120.200 0.033 0.000 2.331 158 E HA -0.293 4.057 4.350 -0.001 0.000 0.199 158 E C 1.613 178.227 176.600 0.022 0.000 1.008 158 E CA 1.365 57.785 56.400 0.033 0.000 0.843 158 E CB -0.545 29.191 29.700 0.060 0.000 0.761 158 E HN 0.820 nan 8.360 nan 0.000 0.507 159 K N 0.858 121.272 120.400 0.024 0.000 2.211 159 K HA -0.072 4.247 4.320 -0.001 0.000 0.204 159 K C 1.501 178.106 176.600 0.008 0.000 1.047 159 K CA 1.489 57.786 56.287 0.016 0.000 0.935 159 K CB -0.004 32.507 32.500 0.019 0.000 0.728 159 K HN 0.160 nan 8.250 nan 0.000 0.452 160 A N 1.770 124.596 122.820 0.009 0.000 2.616 160 A HA 0.144 4.464 4.320 -0.001 0.000 0.294 160 A C 1.305 178.891 177.584 0.003 0.000 1.091 160 A CA -0.562 51.478 52.037 0.005 0.000 0.971 160 A CB -0.055 18.950 19.000 0.008 0.000 1.222 160 A HN 0.415 nan 8.150 nan 0.000 0.521 161 K N 0.165 120.566 120.400 0.002 0.000 2.286 161 K HA -0.211 4.109 4.320 -0.001 0.000 0.203 161 K C 0.863 177.460 176.600 -0.005 0.000 1.045 161 K CA 1.928 58.215 56.287 -0.000 0.000 0.935 161 K CB -0.102 32.396 32.500 -0.004 0.000 0.737 161 K HN 0.333 nan 8.250 nan 0.000 0.460 162 E N 1.489 121.684 120.200 -0.009 0.000 2.046 162 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 162 E C 1.913 178.511 176.600 -0.004 0.000 0.982 162 E CA 1.300 57.694 56.400 -0.010 0.000 0.800 162 E CB -0.073 29.619 29.700 -0.013 0.000 0.756 162 E HN 0.257 nan 8.360 nan 0.000 0.449 163 K N 0.334 120.734 120.400 -0.001 0.000 2.097 163 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 163 K C 1.637 178.240 176.600 0.005 0.000 1.050 163 K CA 0.809 57.097 56.287 0.002 0.000 0.938 163 K CB -0.252 32.251 32.500 0.004 0.000 0.718 163 K HN 0.005 nan 8.250 nan 0.000 0.442 164 L N 0.411 121.637 121.223 0.005 0.000 2.093 164 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 164 L C 2.276 179.150 176.870 0.006 0.000 1.085 164 L CA 1.894 56.738 54.840 0.007 0.000 0.755 164 L CB -1.150 40.914 42.059 0.009 0.000 0.904 164 L HN 0.269 nan 8.230 nan 0.000 0.435 165 A N -0.800 122.022 122.820 0.003 0.000 1.898 165 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 165 A C 2.314 179.900 177.584 0.002 0.000 1.181 165 A CA 1.630 53.668 52.037 0.002 0.000 0.620 165 A CB -0.496 18.503 19.000 -0.002 0.000 0.819 165 A HN 0.380 nan 8.150 nan 0.000 0.442 166 E N 0.331 120.532 120.200 0.002 0.000 2.058 166 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 166 E C 1.696 178.300 176.600 0.006 0.000 0.997 166 E CA 1.592 57.994 56.400 0.003 0.000 0.801 166 E CB -0.388 29.313 29.700 0.002 0.000 0.746 166 E HN 0.639 nan 8.360 nan 0.000 0.450 167 I N -0.328 120.246 120.570 0.007 0.000 2.179 167 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 167 I C 1.930 178.052 176.117 0.009 0.000 1.088 167 I CA 0.758 62.064 61.300 0.010 0.000 1.357 167 I CB -0.152 37.855 38.000 0.012 0.000 1.051 167 I HN 0.161 nan 8.210 nan 0.000 0.409 168 I N -0.364 120.211 120.570 0.008 0.000 2.406 168 I HA -0.163 4.007 4.170 -0.001 0.000 0.249 168 I C 2.295 178.415 176.117 0.006 0.000 1.122 168 I CA 1.067 62.371 61.300 0.007 0.000 1.431 168 I CB -0.286 37.718 38.000 0.006 0.000 1.087 168 I HN -0.063 nan 8.210 nan 0.000 0.424 169 V N 0.230 120.147 119.914 0.006 0.000 2.358 169 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 169 V C 2.511 178.609 176.094 0.006 0.000 1.047 169 V CA 1.916 64.219 62.300 0.005 0.000 1.035 169 V CB -0.546 31.279 31.823 0.004 0.000 0.658 169 V HN 0.403 nan 8.190 nan 0.000 0.452 170 E N 0.848 121.053 120.200 0.007 0.000 2.077 170 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 170 E C 2.133 178.739 176.600 0.010 0.000 0.989 170 E CA 1.682 58.088 56.400 0.009 0.000 0.800 170 E CB -0.492 29.214 29.700 0.010 0.000 0.746 170 E HN 0.492 nan 8.360 nan 0.000 0.452 171 A N 0.029 122.854 122.820 0.010 0.000 1.902 171 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 171 A C 2.505 180.093 177.584 0.008 0.000 1.181 171 A CA 1.727 53.770 52.037 0.009 0.000 0.623 171 A CB -0.782 18.223 19.000 0.008 0.000 0.818 171 A HN 0.205 nan 8.150 nan 0.000 0.443 172 V N -0.331 119.587 119.914 0.007 0.000 2.307 172 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 172 V C 2.763 178.861 176.094 0.007 0.000 1.045 172 V CA 2.241 64.544 62.300 0.006 0.000 1.024 172 V CB -0.851 30.975 31.823 0.005 0.000 0.651 172 V HN 0.545 nan 8.190 nan 0.000 0.449 173 S N 0.191 115.895 115.700 0.008 0.000 2.383 173 S HA -0.218 4.251 4.470 -0.001 0.000 0.229 173 S C 2.168 176.775 174.600 0.011 0.000 1.030 173 S CA 1.509 59.714 58.200 0.009 0.000 1.002 173 S CB -0.471 62.734 63.200 0.009 0.000 0.829 173 S HN 0.659 nan 8.310 nan 0.000 0.467 174 A N 1.111 123.939 122.820 0.013 0.000 1.855 174 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 174 A C 2.401 179.995 177.584 0.016 0.000 1.191 174 A CA 1.757 53.805 52.037 0.018 0.000 0.613 174 A CB -0.819 18.193 19.000 0.019 0.000 0.829 174 A HN 0.579 nan 8.150 nan 0.000 0.442 175 V N -3.214 116.707 119.914 0.011 0.000 3.052 175 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 175 V C 2.033 178.130 176.094 0.006 0.000 1.100 175 V CA 1.363 63.668 62.300 0.009 0.000 1.112 175 V CB -0.363 31.463 31.823 0.005 0.000 0.738 175 V HN 0.194 nan 8.190 nan 0.000 0.469 176 V N 0.553 120.470 119.914 0.006 0.000 2.809 176 V HA -0.059 4.061 4.120 -0.001 0.000 0.256 176 V C 1.571 177.667 176.094 0.003 0.000 1.080 176 V CA 2.291 64.593 62.300 0.004 0.000 1.102 176 V CB -0.537 31.288 31.823 0.004 0.000 0.705 176 V HN 0.842 nan 8.190 nan 0.000 0.475 177 D N -0.652 119.751 120.400 0.004 0.000 4.438 177 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 177 D C 0.632 176.932 176.300 0.001 0.000 0.686 177 D CA 1.927 55.928 54.000 0.002 0.000 1.183 177 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 177 D HN 0.557 nan 8.370 nan 0.000 0.521 178 D N 1.019 121.419 120.400 -0.001 0.000 2.393 178 D HA 0.289 4.929 4.640 -0.001 0.000 0.246 178 D C -0.157 176.144 176.300 0.000 0.000 1.275 178 D CA 0.227 54.226 54.000 -0.001 0.000 0.979 178 D CB 0.402 41.200 40.800 -0.003 0.000 1.101 178 D HN 0.154 nan 8.370 nan 0.000 0.505 179 E N -0.605 119.595 120.200 0.000 0.000 2.731 179 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 179 E C -0.182 176.419 176.600 0.000 0.000 1.087 179 E CA -0.503 55.898 56.400 0.001 0.000 1.020 179 E CB 0.855 30.556 29.700 0.001 0.000 1.339 179 E HN 0.501 nan 8.360 nan 0.000 0.444 180 G N 0.588 109.388 108.800 0.000 0.000 2.328 180 G HA2 0.353 4.313 3.960 -0.001 0.000 0.299 180 G HA3 0.353 4.313 3.960 -0.001 0.000 0.299 180 G C -1.738 173.162 174.900 0.000 0.000 1.435 180 G CA -0.926 44.174 45.100 0.000 0.000 0.865 180 G HN 0.025 nan 8.290 nan 0.000 0.601 181 K N 0.301 120.702 120.400 0.000 0.000 2.581 181 K HA 0.587 4.906 4.320 -0.001 0.000 0.249 181 K C -1.663 174.937 176.600 0.000 0.000 0.966 181 K CA -0.581 55.706 56.287 0.000 0.000 0.811 181 K CB 2.059 34.559 32.500 -0.001 0.000 1.223 181 K HN 0.880 nan 8.250 nan 0.000 0.438 182 V N 3.033 122.947 119.914 0.001 0.000 2.547 182 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 182 V C -1.122 174.971 176.094 -0.000 0.000 1.040 182 V CA -0.516 61.785 62.300 0.001 0.000 0.913 182 V CB 1.693 33.517 31.823 0.001 0.000 0.992 182 V HN 0.779 nan 8.190 nan 0.000 0.449 183 D N 4.540 124.940 120.400 -0.001 0.000 2.441 183 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 183 D C 0.787 177.085 176.300 -0.003 0.000 1.073 183 D CA -0.307 53.692 54.000 -0.002 0.000 0.850 183 D CB 1.678 42.477 40.800 -0.003 0.000 1.062 183 D HN 0.553 nan 8.370 nan 0.000 0.524 184 K N 2.042 122.440 120.400 -0.003 0.000 2.280 184 K HA -0.152 4.168 4.320 -0.001 0.000 0.202 184 K C 0.882 177.478 176.600 -0.007 0.000 1.047 184 K CA 0.825 57.109 56.287 -0.004 0.000 0.942 184 K CB 0.248 32.747 32.500 -0.003 0.000 0.739 184 K HN 0.355 nan 8.250 nan 0.000 0.457 185 D N 0.763 121.158 120.400 -0.008 0.000 2.310 185 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 185 D C 1.343 177.634 176.300 -0.015 0.000 0.965 185 D CA 0.626 54.619 54.000 -0.012 0.000 0.879 185 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 185 D HN 0.104 nan 8.370 nan 0.000 0.510 186 L N -0.186 121.030 121.223 -0.011 0.000 2.492 186 L HA 0.157 4.496 4.340 -0.001 0.000 0.223 186 L C 0.355 177.218 176.870 -0.011 0.000 1.132 186 L CA 0.249 55.082 54.840 -0.011 0.000 0.850 186 L CB 0.132 42.188 42.059 -0.005 0.000 0.966 186 L HN 0.019 nan 8.230 nan 0.000 0.454 187 I N 0.567 121.130 120.570 -0.010 0.000 2.390 187 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 187 I C -0.089 176.020 176.117 -0.015 0.000 1.016 187 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 187 I CB 1.405 39.403 38.000 -0.004 0.000 1.293 187 I HN -0.148 nan 8.210 nan 0.000 0.458 188 K N 7.267 127.655 120.400 -0.021 0.000 2.172 188 K HA 0.451 4.771 4.320 -0.001 0.000 0.276 188 K C -0.785 175.801 176.600 -0.023 0.000 1.013 188 K CA -0.238 56.032 56.287 -0.028 0.000 0.913 188 K CB 0.773 33.246 32.500 -0.045 0.000 1.055 188 K HN 0.396 nan 8.250 nan 0.000 0.461 189 I N 3.933 124.490 120.570 -0.021 0.000 2.347 189 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 189 I C -0.160 175.943 176.117 -0.022 0.000 1.058 189 I CA -0.679 60.611 61.300 -0.015 0.000 1.202 189 I CB 0.345 38.340 38.000 -0.009 0.000 1.386 189 I HN 0.684 nan 8.210 nan 0.000 0.475 190 E N 6.974 127.159 120.200 -0.026 0.000 2.214 190 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 190 E C -0.785 175.804 176.600 -0.018 0.000 0.977 190 E CA -0.596 55.784 56.400 -0.034 0.000 0.827 190 E CB 1.407 31.072 29.700 -0.059 0.000 1.130 190 E HN 0.563 nan 8.360 nan 0.000 0.394 191 K N 1.624 122.013 120.400 -0.019 0.000 2.498 191 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 191 K C -1.333 175.260 176.600 -0.012 0.000 0.933 191 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 191 K CB 1.819 34.312 32.500 -0.011 0.000 1.301 191 K HN 0.198 nan 8.250 nan 0.000 0.432 192 K N 1.347 121.746 120.400 -0.001 0.000 2.588 192 K HA 0.216 4.536 4.320 -0.001 0.000 0.250 192 K C -1.283 175.319 176.600 0.003 0.000 0.972 192 K CA -0.338 55.949 56.287 0.001 0.000 0.821 192 K CB 2.181 34.690 32.500 0.015 0.000 1.249 192 K HN 0.711 nan 8.250 nan 0.000 0.442 193 S N 2.579 118.275 115.700 -0.007 0.000 2.568 193 S HA 0.601 5.070 4.470 -0.001 0.000 0.282 193 S C 0.136 174.739 174.600 0.004 0.000 1.338 193 S CA 1.339 59.535 58.200 -0.006 0.000 1.045 193 S CB -0.223 62.966 63.200 -0.018 0.000 0.873 193 S HN 1.207 nan 8.310 nan 0.000 0.516 194 G N 1.789 110.593 108.800 0.007 0.000 2.428 194 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 194 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 194 G C -0.099 174.809 174.900 0.014 0.000 1.340 194 G CA -0.039 45.068 45.100 0.011 0.000 0.915 194 G HN 2.158 nan 8.290 nan 0.000 0.645 195 A N -0.816 122.012 122.820 0.013 0.000 6.088 195 A HA 0.395 4.715 4.320 -0.001 0.000 0.261 195 A C 1.091 178.682 177.584 0.012 0.000 2.138 195 A CA 1.912 53.957 52.037 0.012 0.000 0.708 195 A CB -1.632 17.377 19.000 0.015 0.000 1.068 195 A HN 2.716 nan 8.150 nan 0.000 0.364 196 S N -2.556 113.151 115.700 0.012 0.000 2.745 196 S HA 0.692 5.162 4.470 -0.001 0.000 0.306 196 S C 1.124 175.732 174.600 0.014 0.000 1.137 196 S CA 0.144 58.351 58.200 0.012 0.000 0.900 196 S CB 1.369 64.575 63.200 0.010 0.000 1.176 196 S HN 1.652 nan 8.310 nan 0.000 0.520 197 I N 1.116 121.694 120.570 0.014 0.000 2.493 197 I HA -0.086 4.084 4.170 -0.001 0.000 0.254 197 I C 1.575 177.700 176.117 0.013 0.000 1.160 197 I CA 1.598 62.906 61.300 0.014 0.000 1.445 197 I CB -0.101 37.908 38.000 0.015 0.000 1.086 197 I HN 0.795 nan 8.210 nan 0.000 0.433 198 D N 0.755 121.161 120.400 0.011 0.000 2.264 198 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 198 D C 1.594 177.900 176.300 0.009 0.000 0.966 198 D CA 1.118 55.123 54.000 0.008 0.000 0.864 198 D CB 0.023 40.827 40.800 0.006 0.000 0.933 198 D HN 0.358 nan 8.370 nan 0.000 0.499 199 D N -0.461 119.946 120.400 0.011 0.000 2.347 199 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 199 D C 0.235 176.547 176.300 0.020 0.000 0.985 199 D CA 0.384 54.392 54.000 0.013 0.000 0.879 199 D CB -0.126 40.682 40.800 0.014 0.000 0.919 199 D HN 0.149 nan 8.370 nan 0.000 0.526 200 T N 1.564 116.130 114.554 0.021 0.000 2.933 200 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 200 T C 0.291 175.007 174.700 0.027 0.000 1.045 200 T CA 0.676 62.791 62.100 0.026 0.000 1.143 200 T CB 1.037 69.918 68.868 0.021 0.000 1.003 200 T HN 0.013 nan 8.240 nan 0.000 0.540 201 E N 1.479 121.702 120.200 0.038 0.000 2.390 201 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 201 E C -1.884 174.747 176.600 0.051 0.000 0.992 201 E CA -0.813 55.610 56.400 0.038 0.000 0.790 201 E CB 1.075 30.796 29.700 0.035 0.000 1.248 201 E HN 0.356 nan 8.360 nan 0.000 0.447 202 L N 3.344 124.592 121.223 0.042 0.000 2.312 202 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 202 L C -1.080 175.827 176.870 0.061 0.000 1.070 202 L CA -0.182 54.684 54.840 0.043 0.000 0.805 202 L CB 0.792 42.868 42.059 0.028 0.000 1.174 202 L HN 0.570 nan 8.230 nan 0.000 0.434 203 I N 5.456 126.072 120.570 0.076 0.000 2.382 203 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 203 I C -0.057 176.098 176.117 0.064 0.000 1.007 203 I CA -0.461 60.900 61.300 0.102 0.000 1.142 203 I CB 1.152 39.268 38.000 0.192 0.000 1.289 203 I HN 0.326 nan 8.210 nan 0.000 0.453 204 K N 5.778 126.209 120.400 0.051 0.000 2.081 204 K HA 0.485 4.805 4.320 -0.001 0.000 0.230 204 K C 0.455 177.076 176.600 0.035 0.000 1.199 204 K CA -0.005 56.303 56.287 0.034 0.000 1.130 204 K CB -0.282 32.232 32.500 0.024 0.000 1.386 204 K HN 0.979 nan 8.250 nan 0.000 0.280 205 G N -0.657 108.160 108.800 0.029 0.000 2.398 205 G HA2 0.022 3.982 3.960 -0.001 0.000 0.251 205 G HA3 0.022 3.982 3.960 -0.001 0.000 0.251 205 G C -1.606 173.289 174.900 -0.008 0.000 1.277 205 G CA -0.805 44.304 45.100 0.016 0.000 0.927 205 G HN 0.085 nan 8.290 nan 0.000 0.477 206 V N 0.755 120.648 119.914 -0.034 0.000 2.495 206 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 206 V C -0.646 175.362 176.094 -0.142 0.000 1.031 206 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 206 V CB 1.407 33.149 31.823 -0.136 0.000 0.988 206 V HN 0.910 nan 8.190 nan 0.000 0.432 207 L N 7.464 128.565 121.223 -0.204 0.000 2.305 207 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 207 L C -0.383 176.316 176.870 -0.286 0.000 1.013 207 L CA -0.153 54.463 54.840 -0.373 0.000 0.819 207 L CB 1.693 43.436 42.059 -0.527 0.000 1.227 207 L HN 0.576 nan 8.230 nan 0.000 0.417 208 V N 1.573 121.326 119.914 -0.269 0.000 2.769 208 V HA 0.635 4.755 4.120 -0.001 0.000 0.312 208 V C -0.489 175.523 176.094 -0.136 0.000 1.061 208 V CA -0.522 61.674 62.300 -0.174 0.000 0.931 208 V CB 1.834 33.571 31.823 -0.143 0.000 1.010 208 V HN 0.823 nan 8.190 nan 0.000 0.433 209 D N 1.127 121.474 120.400 -0.088 0.000 3.134 209 D HA 0.339 4.979 4.640 -0.001 0.000 0.248 209 D C -0.102 176.192 176.300 -0.009 0.000 1.273 209 D CA -0.264 53.704 54.000 -0.054 0.000 0.904 209 D CB 0.340 41.112 40.800 -0.047 0.000 1.089 209 D HN 0.521 nan 8.370 nan 0.000 0.478 210 K N 0.278 120.687 120.400 0.016 0.000 2.313 210 K HA 0.534 4.853 4.320 -0.001 0.000 0.235 210 K C 0.186 176.820 176.600 0.057 0.000 1.035 210 K CA -0.853 55.465 56.287 0.052 0.000 0.868 210 K CB 1.726 34.290 32.500 0.106 0.000 1.232 210 K HN 0.310 nan 8.250 nan 0.000 0.459 211 E N -0.104 120.126 120.200 0.050 0.000 2.378 211 E HA 0.481 4.830 4.350 -0.001 0.000 0.265 211 E C -0.748 175.866 176.600 0.023 0.000 0.932 211 E CA -1.141 55.282 56.400 0.039 0.000 0.795 211 E CB 1.118 30.835 29.700 0.028 0.000 1.296 211 E HN 0.100 nan 8.360 nan 0.000 0.438 212 R N 1.405 121.911 120.500 0.011 0.000 2.296 212 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 212 R C 1.247 177.541 176.300 -0.011 0.000 1.067 212 R CA 0.159 56.250 56.100 -0.014 0.000 0.946 212 R CB 0.961 31.251 30.300 -0.016 0.000 0.991 212 R HN 0.649 nan 8.270 nan 0.000 0.448 213 V N 0.010 119.912 119.914 -0.020 0.000 2.688 213 V HA -0.101 4.019 4.120 -0.001 0.000 0.256 213 V C 0.905 176.996 176.094 -0.006 0.000 1.084 213 V CA 1.209 63.503 62.300 -0.010 0.000 1.103 213 V CB -0.251 31.564 31.823 -0.013 0.000 0.688 213 V HN 0.526 nan 8.190 nan 0.000 0.480 214 S N -0.902 114.793 115.700 -0.009 0.000 2.521 214 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 214 S C 0.828 175.427 174.600 -0.001 0.000 1.098 214 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 214 S CB 1.821 65.023 63.200 0.004 0.000 1.034 214 S HN 0.734 nan 8.310 nan 0.000 0.483 215 A N 3.477 126.300 122.820 0.005 0.000 2.121 215 A HA -0.026 4.293 4.320 -0.001 0.000 0.218 215 A C 1.782 179.370 177.584 0.006 0.000 1.154 215 A CA 1.113 53.154 52.037 0.006 0.000 0.679 215 A CB -0.438 18.567 19.000 0.007 0.000 0.795 215 A HN 0.904 nan 8.150 nan 0.000 0.458 216 Q N -0.905 118.900 119.800 0.008 0.000 2.389 216 Q HA 0.143 4.483 4.340 -0.001 0.000 0.204 216 Q C 0.298 176.290 176.000 -0.013 0.000 0.944 216 Q CA 0.075 55.880 55.803 0.003 0.000 0.908 216 Q CB -0.060 28.686 28.738 0.014 0.000 1.002 216 Q HN 0.665 nan 8.270 nan 0.000 0.493 217 M N 1.679 121.269 119.600 -0.017 0.000 2.242 217 M HA 0.178 4.657 4.480 -0.001 0.000 0.344 217 M C -2.111 174.178 176.300 -0.018 0.000 1.140 217 M CA -1.920 53.364 55.300 -0.026 0.000 1.160 217 M CB 0.172 32.752 32.600 -0.034 0.000 1.491 217 M HN -0.179 nan 8.290 nan 0.000 0.459 218 P HA 0.006 nan 4.420 nan 0.000 0.266 218 P C -0.456 176.840 177.300 -0.007 0.000 1.193 218 P CA 0.277 63.370 63.100 -0.012 0.000 0.770 218 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 219 K N 1.270 121.671 120.400 0.001 0.000 2.393 219 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 219 K C 0.384 176.995 176.600 0.019 0.000 1.026 219 K CA 0.473 56.767 56.287 0.011 0.000 1.064 219 K CB 0.124 32.631 32.500 0.012 0.000 0.833 219 K HN 0.496 nan 8.250 nan 0.000 0.521 220 K N -0.385 120.023 120.400 0.012 0.000 2.571 220 K HA 0.337 4.656 4.320 -0.001 0.000 0.252 220 K C -1.329 175.277 176.600 0.011 0.000 0.956 220 K CA -0.788 55.510 56.287 0.017 0.000 0.822 220 K CB 2.023 34.530 32.500 0.012 0.000 1.286 220 K HN -0.275 nan 8.250 nan 0.000 0.439 221 V N 2.096 122.020 119.914 0.017 0.000 2.577 221 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 221 V C -0.208 175.898 176.094 0.020 0.000 1.042 221 V CA -0.538 61.769 62.300 0.012 0.000 0.872 221 V CB 1.848 33.675 31.823 0.006 0.000 0.998 221 V HN 1.006 nan 8.190 nan 0.000 0.423 222 T N -0.166 114.396 114.554 0.013 0.000 2.945 222 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 222 T C 0.104 174.811 174.700 0.011 0.000 1.025 222 T CA -0.256 61.851 62.100 0.013 0.000 1.039 222 T CB 1.370 70.242 68.868 0.006 0.000 1.068 222 T HN 0.774 nan 8.240 nan 0.000 0.497 223 D N 0.059 120.466 120.400 0.011 0.000 2.689 223 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 223 D C 0.270 176.579 176.300 0.016 0.000 1.148 223 D CA 0.845 54.852 54.000 0.010 0.000 0.656 223 D CB -1.257 39.546 40.800 0.006 0.000 1.050 223 D HN 1.086 nan 8.370 nan 0.000 0.426 224 A N 1.306 124.141 122.820 0.024 0.000 2.425 224 A HA 0.410 4.729 4.320 -0.001 0.000 0.249 224 A C 0.533 178.138 177.584 0.035 0.000 1.084 224 A CA 0.060 52.116 52.037 0.031 0.000 0.781 224 A CB 0.635 19.665 19.000 0.050 0.000 1.019 224 A HN 0.150 nan 8.150 nan 0.000 0.490 225 K N 2.718 123.136 120.400 0.030 0.000 2.354 225 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 225 K C -1.224 175.402 176.600 0.043 0.000 1.062 225 K CA -0.195 56.111 56.287 0.032 0.000 0.971 225 K CB 0.832 33.343 32.500 0.020 0.000 1.305 225 K HN 0.541 nan 8.250 nan 0.000 0.449 226 I N 2.196 122.809 120.570 0.070 0.000 2.352 226 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 226 I C 0.406 176.582 176.117 0.099 0.000 1.036 226 I CA -0.129 61.239 61.300 0.115 0.000 1.336 226 I CB 1.316 39.421 38.000 0.175 0.000 1.407 226 I HN 0.454 nan 8.210 nan 0.000 0.497 227 A N 7.635 130.512 122.820 0.095 0.000 2.330 227 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 227 A C -0.765 176.894 177.584 0.124 0.000 1.155 227 A CA -0.583 51.502 52.037 0.080 0.000 0.803 227 A CB 0.695 19.720 19.000 0.042 0.000 1.208 227 A HN 0.651 nan 8.150 nan 0.000 0.477 228 L N 3.335 124.621 121.223 0.106 0.000 2.298 228 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 228 L C -0.823 176.091 176.870 0.074 0.000 1.013 228 L CA -0.189 54.720 54.840 0.114 0.000 0.824 228 L CB 1.170 43.280 42.059 0.085 0.000 1.221 228 L HN 0.576 nan 8.230 nan 0.000 0.418 229 L N 3.098 124.368 121.223 0.078 0.000 2.334 229 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 229 L C 0.733 177.634 176.870 0.052 0.000 1.014 229 L CA -0.379 54.493 54.840 0.053 0.000 0.815 229 L CB 2.119 44.205 42.059 0.045 0.000 1.268 229 L HN 0.587 nan 8.230 nan 0.000 0.428 230 N N 0.483 119.205 118.700 0.037 0.000 2.348 230 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 230 N C 0.353 175.879 175.510 0.028 0.000 1.094 230 N CA -0.048 53.021 53.050 0.032 0.000 0.885 230 N CB 0.570 39.071 38.487 0.023 0.000 1.065 230 N HN 0.753 nan 8.380 nan 0.000 0.472 231 C N 0.803 120.119 119.300 0.026 0.000 2.470 231 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 231 C C 1.038 176.044 174.990 0.026 0.000 1.341 231 C CA -1.259 57.773 59.018 0.023 0.000 2.440 231 C CB -0.006 27.747 27.740 0.021 0.000 2.295 231 C HN 0.324 nan 8.230 nan 0.000 0.645 232 A N 0.765 123.599 122.820 0.024 0.000 2.340 232 A HA 0.631 4.951 4.320 -0.001 0.000 0.268 232 A C -0.008 177.592 177.584 0.028 0.000 1.100 232 A CA -0.641 51.411 52.037 0.026 0.000 0.803 232 A CB -0.083 18.931 19.000 0.023 0.000 1.043 232 A HN 0.859 nan 8.150 nan 0.000 0.488 233 I N 2.243 122.831 120.570 0.030 0.000 2.243 233 I HA 0.204 4.374 4.170 -0.001 0.000 0.289 233 I C 0.115 176.257 176.117 0.043 0.000 1.140 233 I CA 0.471 61.792 61.300 0.036 0.000 1.289 233 I CB -0.554 37.469 38.000 0.038 0.000 1.498 233 I HN 0.716 nan 8.210 nan 0.000 0.561 234 E N 3.530 123.753 120.200 0.039 0.000 2.450 234 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 234 E C -0.793 175.831 176.600 0.040 0.000 0.967 234 E CA -1.120 55.304 56.400 0.040 0.000 0.818 234 E CB 2.334 32.052 29.700 0.031 0.000 1.401 234 E HN 0.123 nan 8.360 nan 0.000 0.450 235 I N 2.310 122.904 120.570 0.041 0.000 2.406 235 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 235 I C 0.507 176.642 176.117 0.031 0.000 1.101 235 I CA 0.174 61.499 61.300 0.041 0.000 1.334 235 I CB -0.518 37.510 38.000 0.046 0.000 1.421 235 I HN 0.398 nan 8.210 nan 0.000 0.513 236 K N 4.904 125.322 120.400 0.029 0.000 2.319 236 K HA 0.084 4.404 4.320 -0.001 0.000 0.265 236 K C -0.066 176.548 176.600 0.022 0.000 1.000 236 K CA -0.200 56.101 56.287 0.023 0.000 0.943 236 K CB 0.846 33.359 32.500 0.021 0.000 0.950 236 K HN 0.460 nan 8.250 nan 0.000 0.485 237 E N 1.418 121.628 120.200 0.016 0.000 2.207 237 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 237 E C -1.056 175.552 176.600 0.013 0.000 0.927 237 E CA -0.591 55.817 56.400 0.013 0.000 0.799 237 E CB 1.359 31.063 29.700 0.007 0.000 1.172 237 E HN 0.638 nan 8.360 nan 0.000 0.404 238 T N 1.100 115.662 114.554 0.013 0.000 2.813 238 T HA 0.178 4.527 4.350 -0.001 0.000 0.297 238 T C 0.746 175.451 174.700 0.008 0.000 1.036 238 T CA -0.378 61.729 62.100 0.012 0.000 1.044 238 T CB 0.760 69.636 68.868 0.013 0.000 0.993 238 T HN 0.417 nan 8.240 nan 0.000 0.535 239 E N 0.334 120.539 120.200 0.008 0.000 2.047 239 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 239 E C 1.238 177.841 176.600 0.005 0.000 0.987 239 E CA 1.032 57.436 56.400 0.006 0.000 0.799 239 E CB -0.586 29.118 29.700 0.006 0.000 0.752 239 E HN 0.780 nan 8.360 nan 0.000 0.449 240 T N 1.316 115.873 114.554 0.006 0.000 2.930 240 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 240 T C -0.425 174.277 174.700 0.004 0.000 1.045 240 T CA -0.691 61.412 62.100 0.005 0.000 1.134 240 T CB 0.208 69.079 68.868 0.006 0.000 0.961 240 T HN -0.121 nan 8.240 nan 0.000 0.545 241 D N 2.831 123.232 120.400 0.001 0.000 2.425 241 D HA 0.493 5.132 4.640 -0.001 0.000 0.247 241 D C -0.243 176.056 176.300 -0.002 0.000 1.147 241 D CA 0.460 54.459 54.000 -0.001 0.000 0.879 241 D CB 0.866 41.664 40.800 -0.003 0.000 1.179 241 D HN 0.758 nan 8.370 nan 0.000 0.456 242 A N 2.641 125.458 122.820 -0.006 0.000 2.547 242 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 242 A C -0.848 176.723 177.584 -0.022 0.000 1.056 242 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 242 A CB 1.604 20.605 19.000 0.002 0.000 1.282 242 A HN 0.463 nan 8.150 nan 0.000 0.400 243 E N 0.926 121.106 120.200 -0.033 0.000 2.314 243 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 243 E C -1.429 175.118 176.600 -0.089 0.000 0.884 243 E CA -0.850 55.514 56.400 -0.061 0.000 0.753 243 E CB 2.312 31.981 29.700 -0.051 0.000 1.213 243 E HN 0.497 nan 8.360 nan 0.000 0.432 244 I N 2.195 122.663 120.570 -0.169 0.000 2.428 244 I HA 0.154 4.323 4.170 -0.001 0.000 0.289 244 I C 0.040 176.036 176.117 -0.202 0.000 1.019 244 I CA -0.187 60.941 61.300 -0.285 0.000 1.351 244 I CB 0.422 38.013 38.000 -0.683 0.000 1.412 244 I HN 0.188 nan 8.210 nan 0.000 0.513 245 R N 6.728 127.150 120.500 -0.130 0.000 2.310 245 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 245 R C -0.993 175.295 176.300 -0.021 0.000 1.004 245 R CA -0.764 55.299 56.100 -0.061 0.000 0.900 245 R CB 0.854 31.142 30.300 -0.020 0.000 1.152 245 R HN 0.409 nan 8.270 nan 0.000 0.513 246 I N 3.045 123.593 120.570 -0.036 0.000 2.416 246 I HA 0.058 4.228 4.170 -0.001 0.000 0.288 246 I C 1.642 177.780 176.117 0.035 0.000 1.051 246 I CA 0.321 61.636 61.300 0.026 0.000 1.375 246 I CB 1.103 39.108 38.000 0.008 0.000 1.407 246 I HN 0.519 nan 8.210 nan 0.000 0.516 247 T N 0.021 114.610 114.554 0.060 0.000 3.040 247 T HA 0.221 4.570 4.350 -0.001 0.000 0.266 247 T C 0.261 174.985 174.700 0.040 0.000 1.005 247 T CA -0.227 61.898 62.100 0.042 0.000 0.906 247 T CB 0.564 69.457 68.868 0.042 0.000 1.082 247 T HN 0.576 nan 8.240 nan 0.000 0.531 248 D N 0.843 121.274 120.400 0.052 0.000 2.886 248 D HA 0.257 4.897 4.640 -0.001 0.000 0.216 248 D C -2.301 174.029 176.300 0.050 0.000 1.256 248 D CA -1.690 52.336 54.000 0.043 0.000 0.844 248 D CB 2.912 43.735 40.800 0.039 0.000 1.669 248 D HN -0.241 nan 8.370 nan 0.000 0.513 249 P HA -0.097 nan 4.420 nan 0.000 0.219 249 P C 1.042 178.366 177.300 0.041 0.000 1.146 249 P CA 0.835 63.956 63.100 0.036 0.000 0.808 249 P CB 0.300 32.015 31.700 0.024 0.000 0.779 250 A N 0.526 123.367 122.820 0.035 0.000 1.930 250 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 250 A C 2.394 180.002 177.584 0.040 0.000 1.175 250 A CA 1.709 53.764 52.037 0.030 0.000 0.627 250 A CB -1.070 17.940 19.000 0.017 0.000 0.815 250 A HN 0.159 nan 8.150 nan 0.000 0.443 251 K N -0.683 119.755 120.400 0.062 0.000 2.103 251 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 251 K C 1.843 178.580 176.600 0.229 0.000 1.052 251 K CA 1.124 57.475 56.287 0.107 0.000 0.945 251 K CB -0.258 32.323 32.500 0.135 0.000 0.722 251 K HN 0.305 nan 8.250 nan 0.000 0.443 252 L N 1.091 122.421 121.223 0.178 0.000 2.043 252 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 252 L C 2.028 179.002 176.870 0.173 0.000 1.075 252 L CA 1.761 56.706 54.840 0.175 0.000 0.752 252 L CB -0.304 41.806 42.059 0.085 0.000 0.891 252 L HN 0.282 nan 8.230 nan 0.000 0.432 253 M N -1.160 118.505 119.600 0.109 0.000 2.254 253 M HA -0.118 4.362 4.480 -0.001 0.000 0.265 253 M C 2.129 178.462 176.300 0.056 0.000 1.066 253 M CA 1.198 56.542 55.300 0.074 0.000 1.123 253 M CB -1.034 31.592 32.600 0.043 0.000 1.388 253 M HN 0.352 nan 8.290 nan 0.000 0.425 254 E N -0.147 120.069 120.200 0.026 0.000 2.097 254 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 254 E C 1.865 178.379 176.600 -0.143 0.000 1.000 254 E CA 1.397 57.743 56.400 -0.090 0.000 0.804 254 E CB -0.203 29.388 29.700 -0.182 0.000 0.740 254 E HN 0.400 nan 8.360 nan 0.000 0.454 255 F N 0.421 120.378 119.950 0.010 0.000 2.163 255 F HA -0.067 4.459 4.527 -0.000 0.000 0.297 255 F C 2.217 178.027 175.800 0.017 0.000 1.094 255 F CA 0.644 58.651 58.000 0.012 0.000 1.290 255 F CB -0.178 38.828 39.000 0.010 0.000 1.017 255 F HN -0.047 nan 8.300 nan 0.000 0.483 256 I N 0.192 120.885 120.570 0.205 0.000 2.194 256 I HA -0.322 3.848 4.170 -0.001 0.000 0.246 256 I C 2.055 178.228 176.117 0.094 0.000 1.093 256 I CA 1.674 63.048 61.300 0.124 0.000 1.355 256 I CB -0.458 37.595 38.000 0.089 0.000 1.046 256 I HN 0.221 nan 8.210 nan 0.000 0.413 257 E N -0.162 120.079 120.200 0.068 0.000 2.274 257 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 257 E C 2.025 178.647 176.600 0.038 0.000 0.996 257 E CA 0.544 56.973 56.400 0.049 0.000 0.840 257 E CB 0.020 29.734 29.700 0.022 0.000 0.772 257 E HN 0.370 nan 8.360 nan 0.000 0.491 258 Q N 1.151 120.968 119.800 0.030 0.000 2.137 258 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 258 Q C 1.432 177.465 176.000 0.054 0.000 0.960 258 Q CA 1.329 57.142 55.803 0.017 0.000 0.847 258 Q CB 0.203 28.933 28.738 -0.015 0.000 0.915 258 Q HN 0.084 nan 8.270 nan 0.000 0.448 259 E N 0.175 120.430 120.200 0.091 0.000 2.150 259 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 259 E C 1.671 178.339 176.600 0.114 0.000 0.985 259 E CA 1.146 57.605 56.400 0.097 0.000 0.814 259 E CB 0.065 29.828 29.700 0.103 0.000 0.752 259 E HN 0.473 nan 8.360 nan 0.000 0.466 260 E N 0.427 120.704 120.200 0.128 0.000 2.051 260 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 260 E C 1.964 178.623 176.600 0.098 0.000 0.991 260 E CA 1.049 57.575 56.400 0.210 0.000 0.799 260 E CB -0.059 29.760 29.700 0.198 0.000 0.748 260 E HN 0.078 nan 8.360 nan 0.000 0.449 261 K N 0.834 121.245 120.400 0.017 0.000 2.057 261 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 261 K C 2.235 178.790 176.600 -0.075 0.000 1.049 261 K CA 1.197 57.445 56.287 -0.064 0.000 0.931 261 K CB -0.063 32.413 32.500 -0.039 0.000 0.714 261 K HN 0.078 nan 8.250 nan 0.000 0.440 262 M N 0.768 120.361 119.600 -0.012 0.000 2.067 262 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 262 M C 1.878 178.174 176.300 -0.007 0.000 1.069 262 M CA 1.623 56.923 55.300 -0.001 0.000 1.117 262 M CB -0.071 32.549 32.600 0.034 0.000 1.334 262 M HN 0.183 nan 8.290 nan 0.000 0.407 263 L N -0.012 121.236 121.223 0.041 0.000 2.083 263 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 263 L C 2.690 179.546 176.870 -0.022 0.000 1.083 263 L CA 1.054 55.949 54.840 0.093 0.000 0.752 263 L CB -0.920 41.289 42.059 0.251 0.000 0.899 263 L HN 0.379 nan 8.230 nan 0.000 0.433 264 K N 0.404 120.591 120.400 -0.355 0.000 2.097 264 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 264 K C 1.402 177.828 176.600 -0.290 0.000 1.049 264 K CA 1.735 57.600 56.287 -0.703 0.000 0.933 264 K CB -0.092 31.848 32.500 -0.932 0.000 0.717 264 K HN 0.277 nan 8.250 nan 0.000 0.442 265 D N 0.292 120.588 120.400 -0.173 0.000 2.183 265 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 265 D C 1.960 178.224 176.300 -0.060 0.000 0.969 265 D CA 0.689 54.630 54.000 -0.098 0.000 0.842 265 D CB 0.050 40.810 40.800 -0.067 0.000 0.957 265 D HN 0.175 nan 8.370 nan 0.000 0.484 266 M N 0.211 119.786 119.600 -0.042 0.000 2.132 266 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 266 M C 2.251 178.546 176.300 -0.010 0.000 1.065 266 M CA 0.709 56.002 55.300 -0.011 0.000 1.122 266 M CB -0.735 31.873 32.600 0.013 0.000 1.365 266 M HN -0.084 nan 8.290 nan 0.000 0.411 267 V N 0.298 120.202 119.914 -0.017 0.000 2.453 267 V HA -0.137 3.983 4.120 -0.001 0.000 0.247 267 V C 2.669 178.744 176.094 -0.031 0.000 1.048 267 V CA 1.545 63.839 62.300 -0.009 0.000 1.049 267 V CB -1.233 30.601 31.823 0.020 0.000 0.672 267 V HN 0.459 nan 8.190 nan 0.000 0.457 268 A N -0.014 122.771 122.820 -0.058 0.000 1.972 268 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 268 A C 2.168 179.732 177.584 -0.034 0.000 1.169 268 A CA 1.977 53.982 52.037 -0.054 0.000 0.635 268 A CB -0.394 18.561 19.000 -0.075 0.000 0.810 268 A HN 0.550 nan 8.150 nan 0.000 0.446 269 E N 0.291 120.475 120.200 -0.028 0.000 2.072 269 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 269 E C 1.683 178.277 176.600 -0.010 0.000 0.982 269 E CA 1.193 57.584 56.400 -0.016 0.000 0.803 269 E CB -0.358 29.334 29.700 -0.012 0.000 0.755 269 E HN 0.635 nan 8.360 nan 0.000 0.453 270 I N 0.296 120.861 120.570 -0.008 0.000 2.179 270 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 270 I C 2.299 178.412 176.117 -0.007 0.000 1.088 270 I CA 1.268 62.565 61.300 -0.004 0.000 1.357 270 I CB -0.250 37.747 38.000 -0.004 0.000 1.051 270 I HN 0.068 nan 8.210 nan 0.000 0.409 271 K N 1.578 121.970 120.400 -0.013 0.000 2.097 271 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 271 K C 2.035 178.628 176.600 -0.012 0.000 1.049 271 K CA 1.627 57.906 56.287 -0.014 0.000 0.933 271 K CB -0.356 32.132 32.500 -0.020 0.000 0.717 271 K HN 0.276 nan 8.250 nan 0.000 0.442 272 A N -0.167 122.645 122.820 -0.013 0.000 1.933 272 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 272 A C 2.183 179.764 177.584 -0.005 0.000 1.175 272 A CA 2.062 54.093 52.037 -0.010 0.000 0.628 272 A CB -0.718 18.274 19.000 -0.012 0.000 0.814 272 A HN 0.353 nan 8.150 nan 0.000 0.444 273 S N -1.793 113.906 115.700 -0.003 0.000 2.423 273 S HA 0.233 4.702 4.470 -0.001 0.000 0.231 273 S C 1.533 176.135 174.600 0.004 0.000 1.014 273 S CA 1.257 59.458 58.200 0.002 0.000 0.965 273 S CB -0.122 63.081 63.200 0.006 0.000 0.785 273 S HN 1.683 nan 8.310 nan 0.000 0.495 274 G N 0.580 109.380 108.800 0.001 0.000 2.168 274 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.197 274 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.197 274 G C 0.085 174.987 174.900 0.003 0.000 0.997 274 G CA -0.178 44.922 45.100 0.002 0.000 0.658 274 G HN 0.804 nan 8.290 nan 0.000 0.513 275 A N 0.260 123.081 122.820 0.003 0.000 2.407 275 A HA 0.639 4.958 4.320 -0.001 0.000 0.248 275 A C 0.937 178.517 177.584 -0.007 0.000 1.082 275 A CA 0.942 52.981 52.037 0.003 0.000 0.785 275 A CB 0.251 19.254 19.000 0.005 0.000 1.020 275 A HN 1.297 nan 8.150 nan 0.000 0.489 276 N N -0.638 118.055 118.700 -0.011 0.000 2.036 276 N HA 0.202 4.941 4.740 -0.001 0.000 0.228 276 N C -0.960 174.523 175.510 -0.045 0.000 1.368 276 N CA 0.053 53.089 53.050 -0.024 0.000 0.846 276 N CB 0.482 38.961 38.487 -0.015 0.000 1.145 276 N HN 0.268 nan 8.380 nan 0.000 0.502 277 V N 1.519 121.403 119.914 -0.050 0.000 2.656 277 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 277 V C -1.146 174.859 176.094 -0.148 0.000 1.051 277 V CA -0.770 61.457 62.300 -0.122 0.000 0.893 277 V CB 2.402 34.196 31.823 -0.047 0.000 0.999 277 V HN 0.230 nan 8.190 nan 0.000 0.426 278 L N 5.463 126.498 121.223 -0.312 0.000 2.441 278 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 278 L C -1.926 174.707 176.870 -0.395 0.000 0.973 278 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 278 L CB 1.600 43.590 42.059 -0.115 0.000 1.239 278 L HN 0.598 nan 8.230 nan 0.000 0.406 279 F N 4.391 124.345 119.950 0.006 0.000 2.402 279 F HA 0.360 4.887 4.527 -0.001 0.000 0.355 279 F C 0.397 176.200 175.800 0.005 0.000 1.123 279 F CA -0.479 57.523 58.000 0.004 0.000 1.021 279 F CB 1.491 40.490 39.000 -0.001 0.000 1.160 279 F HN 0.437 nan 8.300 nan 0.000 0.451 280 C N 5.191 124.577 119.300 0.145 0.000 2.281 280 C HA 0.221 4.680 4.460 -0.001 0.000 0.325 280 C C 1.625 176.668 174.990 0.088 0.000 1.282 280 C CA -0.473 58.599 59.018 0.091 0.000 1.640 280 C CB 0.648 28.418 27.740 0.050 0.000 2.288 280 C HN 0.960 nan 8.230 nan 0.000 0.507 281 Q N 3.531 123.373 119.800 0.070 0.000 2.170 281 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 281 Q C 0.752 176.775 176.000 0.038 0.000 0.976 281 Q CA 1.631 57.463 55.803 0.049 0.000 0.858 281 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 281 Q HN 0.761 nan 8.270 nan 0.000 0.433 282 K N -1.159 119.263 120.400 0.036 0.000 2.632 282 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 282 K C 0.319 176.937 176.600 0.030 0.000 1.028 282 K CA -0.202 56.102 56.287 0.028 0.000 1.045 282 K CB 0.188 32.703 32.500 0.024 0.000 1.400 282 K HN 0.112 nan 8.250 nan 0.000 0.522 283 G N 0.261 109.076 108.800 0.024 0.000 2.599 283 G HA2 0.436 4.395 3.960 -0.001 0.000 0.264 283 G HA3 0.436 4.395 3.960 -0.001 0.000 0.264 283 G C -0.528 174.386 174.900 0.023 0.000 1.200 283 G CA -0.527 44.586 45.100 0.022 0.000 0.896 283 G HN 0.367 nan 8.290 nan 0.000 0.536 284 I N 0.246 120.828 120.570 0.021 0.000 2.499 284 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 284 I C -0.494 175.636 176.117 0.022 0.000 1.048 284 I CA -0.789 60.525 61.300 0.023 0.000 1.062 284 I CB 2.158 40.168 38.000 0.017 0.000 1.238 284 I HN 0.429 nan 8.210 nan 0.000 0.426 285 D N 5.313 125.731 120.400 0.031 0.000 2.443 285 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 285 D C 0.755 177.066 176.300 0.018 0.000 1.136 285 D CA 0.062 54.078 54.000 0.028 0.000 0.879 285 D CB 1.331 42.157 40.800 0.043 0.000 1.195 285 D HN 0.639 nan 8.370 nan 0.000 0.443 286 D N 3.566 123.968 120.400 0.002 0.000 2.158 286 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 286 D C 1.956 178.234 176.300 -0.036 0.000 0.995 286 D CA 0.776 54.767 54.000 -0.015 0.000 0.846 286 D CB -0.373 40.413 40.800 -0.024 0.000 0.941 286 D HN 0.362 nan 8.370 nan 0.000 0.456 287 L N 0.563 121.757 121.223 -0.048 0.000 2.072 287 L HA 0.147 4.487 4.340 -0.001 0.000 0.205 287 L C 2.378 179.161 176.870 -0.144 0.000 1.079 287 L CA 1.862 56.621 54.840 -0.135 0.000 0.752 287 L CB -0.992 41.017 42.059 -0.084 0.000 0.906 287 L HN 0.103 nan 8.230 nan 0.000 0.436 288 A N -1.131 121.718 122.820 0.048 0.000 1.972 288 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 288 A C 2.165 179.805 177.584 0.093 0.000 1.169 288 A CA 1.731 53.867 52.037 0.166 0.000 0.635 288 A CB -0.520 18.561 19.000 0.136 0.000 0.810 288 A HN 0.667 nan 8.150 nan 0.000 0.446 289 Q N -1.654 118.167 119.800 0.034 0.000 2.124 289 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 289 Q C 2.046 178.055 176.000 0.016 0.000 0.977 289 Q CA 1.681 57.496 55.803 0.020 0.000 0.850 289 Q CB -0.317 28.427 28.738 0.011 0.000 0.901 289 Q HN 0.933 nan 8.270 nan 0.000 0.429 290 H N -0.392 118.609 119.070 -0.115 0.000 2.353 290 H HA -0.172 4.384 4.556 -0.001 0.000 0.300 290 H C 1.356 176.632 175.328 -0.087 0.000 1.090 290 H CA 1.715 57.672 56.048 -0.151 0.000 1.327 290 H CB -0.079 29.518 29.762 -0.275 0.000 1.383 290 H HN 0.223 nan 8.280 nan 0.000 0.508 291 Y N 0.179 120.456 120.300 -0.039 0.000 2.224 291 Y HA -0.133 4.417 4.550 -0.001 0.000 0.289 291 Y C 2.565 178.403 175.900 -0.104 0.000 1.146 291 Y CA 1.039 59.086 58.100 -0.089 0.000 1.182 291 Y CB -0.643 37.814 38.460 -0.004 0.000 0.983 291 Y HN 0.219 nan 8.280 nan 0.000 0.524 292 L N -1.037 120.234 121.223 0.079 0.000 2.046 292 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 292 L C 2.641 179.490 176.870 -0.035 0.000 1.077 292 L CA 1.237 56.085 54.840 0.014 0.000 0.747 292 L CB -0.831 41.230 42.059 0.003 0.000 0.896 292 L HN 0.183 nan 8.230 nan 0.000 0.432 293 A N -0.121 122.658 122.820 -0.069 0.000 1.930 293 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 293 A C 2.368 179.880 177.584 -0.119 0.000 1.175 293 A CA 1.823 53.804 52.037 -0.092 0.000 0.627 293 A CB -0.425 18.517 19.000 -0.096 0.000 0.815 293 A HN 0.327 nan 8.150 nan 0.000 0.443 294 K N -0.426 119.866 120.400 -0.180 0.000 2.147 294 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 294 K C 1.030 177.594 176.600 -0.059 0.000 1.049 294 K CA 1.484 57.686 56.287 -0.143 0.000 0.936 294 K CB 0.005 32.421 32.500 -0.140 0.000 0.722 294 K HN 0.335 nan 8.250 nan 0.000 0.446 295 E N -0.719 119.458 120.200 -0.039 0.000 2.479 295 E HA 0.059 4.408 4.350 -0.001 0.000 0.193 295 E C 0.686 177.269 176.600 -0.028 0.000 1.049 295 E CA 0.664 57.048 56.400 -0.026 0.000 0.870 295 E CB 0.829 30.518 29.700 -0.018 0.000 0.944 295 E HN 0.538 nan 8.360 nan 0.000 0.492 296 G N 1.926 110.705 108.800 -0.036 0.000 2.160 296 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 296 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 296 G C 0.228 175.108 174.900 -0.034 0.000 1.022 296 G CA 0.100 45.181 45.100 -0.032 0.000 0.741 296 G HN 0.271 nan 8.290 nan 0.000 0.508 297 I N 1.133 121.679 120.570 -0.040 0.000 2.325 297 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 297 I C 1.073 177.150 176.117 -0.066 0.000 1.019 297 I CA -1.055 60.216 61.300 -0.049 0.000 1.302 297 I CB 1.492 39.467 38.000 -0.043 0.000 1.401 297 I HN 0.153 nan 8.210 nan 0.000 0.485 298 V N 3.908 123.771 119.914 -0.085 0.000 2.546 298 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 298 V C 0.094 176.071 176.094 -0.195 0.000 1.050 298 V CA -0.253 61.980 62.300 -0.113 0.000 0.981 298 V CB 1.100 32.864 31.823 -0.098 0.000 0.990 298 V HN 0.834 nan 8.190 nan 0.000 0.474 299 A N 3.535 126.240 122.820 -0.191 0.000 2.549 299 A HA 1.015 5.335 4.320 -0.001 0.000 0.297 299 A C -0.399 177.067 177.584 -0.196 0.000 1.061 299 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 299 A CB 1.819 20.739 19.000 -0.133 0.000 1.287 299 A HN 2.381 nan 8.150 nan 0.000 0.402 300 A N 1.389 124.077 122.820 -0.220 0.000 2.449 300 A HA 0.847 5.166 4.320 -0.001 0.000 0.302 300 A C -0.303 177.295 177.584 0.022 0.000 1.048 300 A CA -0.607 51.399 52.037 -0.052 0.000 0.708 300 A CB 1.156 20.183 19.000 0.045 0.000 1.274 300 A HN 1.403 nan 8.150 nan 0.000 0.410 301 R N 1.390 121.912 120.500 0.037 0.000 2.832 301 R HA 0.795 5.134 4.340 -0.001 0.000 0.271 301 R C -0.471 175.861 176.300 0.052 0.000 0.996 301 R CA -0.767 55.359 56.100 0.044 0.000 0.977 301 R CB 0.801 31.116 30.300 0.025 0.000 1.168 301 R HN 0.577 nan 8.270 nan 0.000 0.482 302 R N -0.135 120.394 120.500 0.048 0.000 3.532 302 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 302 R C -0.773 175.553 176.300 0.043 0.000 1.140 302 R CA 0.601 56.724 56.100 0.038 0.000 0.768 302 R CB -2.349 27.967 30.300 0.027 0.000 1.252 302 R HN 0.548 nan 8.270 nan 0.000 0.454 303 V N 1.495 121.447 119.914 0.064 0.000 2.572 303 V HA 0.063 4.183 4.120 -0.001 0.000 0.291 303 V C 1.426 177.531 176.094 0.018 0.000 1.039 303 V CA -0.113 62.222 62.300 0.057 0.000 1.055 303 V CB 1.334 33.217 31.823 0.101 0.000 0.969 303 V HN 0.137 nan 8.190 nan 0.000 0.482 304 K N 4.151 124.548 120.400 -0.004 0.000 2.448 304 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 304 K C 1.387 177.974 176.600 -0.022 0.000 1.009 304 K CA -0.242 56.036 56.287 -0.014 0.000 0.995 304 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 304 K HN 0.609 nan 8.250 nan 0.000 0.481 305 K N 2.138 122.530 120.400 -0.014 0.000 2.074 305 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 305 K C 1.767 178.350 176.600 -0.028 0.000 1.048 305 K CA 1.955 58.232 56.287 -0.016 0.000 0.926 305 K CB -0.229 32.265 32.500 -0.009 0.000 0.713 305 K HN 0.683 nan 8.250 nan 0.000 0.444 306 S N 1.039 116.720 115.700 -0.031 0.000 2.370 306 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 306 S C 1.378 175.941 174.600 -0.061 0.000 1.033 306 S CA 1.794 59.970 58.200 -0.040 0.000 1.011 306 S CB -0.216 62.962 63.200 -0.036 0.000 0.852 306 S HN 0.303 nan 8.310 nan 0.000 0.457 307 D N 0.834 121.189 120.400 -0.076 0.000 2.144 307 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 307 D C 1.999 178.206 176.300 -0.155 0.000 0.984 307 D CA 0.921 54.847 54.000 -0.123 0.000 0.834 307 D CB -0.251 40.471 40.800 -0.130 0.000 0.955 307 D HN 0.384 nan 8.370 nan 0.000 0.465 308 M N 0.449 119.985 119.600 -0.107 0.000 2.175 308 M HA -0.081 4.399 4.480 -0.001 0.000 0.264 308 M C 1.901 178.155 176.300 -0.077 0.000 1.063 308 M CA 1.190 56.436 55.300 -0.091 0.000 1.119 308 M CB -0.774 31.806 32.600 -0.033 0.000 1.377 308 M HN 0.111 nan 8.290 nan 0.000 0.415 309 E N 0.090 120.253 120.200 -0.061 0.000 2.072 309 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 309 E C 2.061 178.628 176.600 -0.056 0.000 0.982 309 E CA 0.838 57.210 56.400 -0.046 0.000 0.803 309 E CB -0.006 29.673 29.700 -0.034 0.000 0.755 309 E HN 0.499 nan 8.360 nan 0.000 0.453 310 K N 0.648 121.003 120.400 -0.075 0.000 2.097 310 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 310 K C 2.200 178.746 176.600 -0.091 0.000 1.049 310 K CA 0.808 57.049 56.287 -0.077 0.000 0.933 310 K CB -0.088 32.358 32.500 -0.090 0.000 0.717 310 K HN 0.110 nan 8.250 nan 0.000 0.442 311 L N 0.507 121.649 121.223 -0.135 0.000 2.083 311 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 311 L C 2.585 179.412 176.870 -0.072 0.000 1.083 311 L CA 1.083 55.834 54.840 -0.149 0.000 0.752 311 L CB -0.548 41.347 42.059 -0.274 0.000 0.899 311 L HN 0.198 nan 8.230 nan 0.000 0.433 312 A N -0.269 122.520 122.820 -0.052 0.000 1.898 312 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 312 A C 2.340 179.917 177.584 -0.012 0.000 1.181 312 A CA 1.321 53.346 52.037 -0.020 0.000 0.620 312 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 312 A HN 0.187 nan 8.150 nan 0.000 0.442 313 K N -0.008 120.380 120.400 -0.020 0.000 2.002 313 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 313 K C 2.342 178.941 176.600 -0.002 0.000 1.048 313 K CA 1.443 57.724 56.287 -0.011 0.000 0.930 313 K CB -0.876 31.614 32.500 -0.016 0.000 0.714 313 K HN 0.435 nan 8.250 nan 0.000 0.438 314 A N 1.268 124.082 122.820 -0.011 0.000 1.841 314 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 314 A C 2.379 179.972 177.584 0.014 0.000 1.195 314 A CA 2.727 54.763 52.037 -0.001 0.000 0.611 314 A CB -1.074 17.916 19.000 -0.016 0.000 0.835 314 A HN 0.517 nan 8.150 nan 0.000 0.443 315 T N -4.480 110.080 114.554 0.010 0.000 3.043 315 T HA 0.369 4.718 4.350 -0.001 0.000 0.263 315 T C 1.490 176.209 174.700 0.032 0.000 1.094 315 T CA 1.252 63.367 62.100 0.025 0.000 1.127 315 T CB -0.067 68.820 68.868 0.032 0.000 0.905 315 T HN 1.833 nan 8.240 nan 0.000 0.490 316 G N 1.466 110.281 108.800 0.025 0.000 2.143 316 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.249 316 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.249 316 G C 0.280 175.195 174.900 0.025 0.000 0.981 316 G CA -0.004 45.112 45.100 0.026 0.000 0.665 316 G HN 1.185 nan 8.290 nan 0.000 0.528 317 A N -0.283 122.553 122.820 0.027 0.000 2.445 317 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 317 A C 0.428 178.027 177.584 0.026 0.000 1.075 317 A CA 0.674 52.732 52.037 0.035 0.000 0.777 317 A CB 0.390 19.422 19.000 0.052 0.000 1.013 317 A HN 0.885 nan 8.150 nan 0.000 0.493 318 N N 1.491 120.209 118.700 0.030 0.000 2.417 318 N HA 0.375 5.114 4.740 -0.001 0.000 0.274 318 N C -1.009 174.518 175.510 0.027 0.000 0.987 318 N CA -0.421 52.643 53.050 0.023 0.000 0.912 318 N CB 1.375 39.874 38.487 0.020 0.000 1.177 318 N HN 0.283 nan 8.380 nan 0.000 0.490 319 V N 4.817 124.743 119.914 0.022 0.000 2.485 319 V HA 0.176 4.296 4.120 -0.001 0.000 0.287 319 V C 0.336 176.444 176.094 0.022 0.000 1.022 319 V CA -0.069 62.245 62.300 0.025 0.000 1.067 319 V CB -0.118 31.715 31.823 0.016 0.000 0.967 319 V HN 0.516 nan 8.190 nan 0.000 0.479 320 I N 4.129 124.715 120.570 0.027 0.000 2.404 320 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 320 I C 1.026 177.156 176.117 0.022 0.000 0.992 320 I CA -0.368 60.945 61.300 0.022 0.000 1.149 320 I CB 1.406 39.420 38.000 0.022 0.000 1.315 320 I HN 0.626 nan 8.210 nan 0.000 0.446 321 A N 5.380 128.211 122.820 0.017 0.000 1.872 321 A HA 0.314 4.634 4.320 -0.001 0.000 0.214 321 A C 1.111 178.705 177.584 0.017 0.000 1.187 321 A CA 1.114 53.160 52.037 0.016 0.000 0.614 321 A CB -0.037 18.971 19.000 0.013 0.000 0.826 321 A HN 0.734 nan 8.150 nan 0.000 0.442 322 A N -0.902 121.927 122.820 0.015 0.000 2.317 322 A HA 0.654 4.973 4.320 -0.001 0.000 0.327 322 A C 0.768 178.361 177.584 0.015 0.000 1.178 322 A CA -0.600 51.446 52.037 0.015 0.000 0.817 322 A CB 0.421 19.428 19.000 0.012 0.000 1.189 322 A HN 0.306 nan 8.150 nan 0.000 0.489 323 I N 1.899 122.478 120.570 0.015 0.000 2.264 323 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 323 I C 2.753 178.876 176.117 0.010 0.000 1.111 323 I CA 1.798 63.106 61.300 0.014 0.000 1.382 323 I CB -0.206 37.802 38.000 0.014 0.000 1.060 323 I HN 0.760 nan 8.210 nan 0.000 0.418 324 A N 0.657 123.482 122.820 0.009 0.000 1.972 324 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 324 A C 2.421 180.009 177.584 0.006 0.000 1.169 324 A CA 1.721 53.761 52.037 0.006 0.000 0.635 324 A CB -0.655 18.349 19.000 0.006 0.000 0.810 324 A HN 0.447 nan 8.150 nan 0.000 0.446 325 A N -0.701 122.124 122.820 0.009 0.000 2.206 325 A HA 0.342 4.661 4.320 -0.001 0.000 0.211 325 A C 0.914 178.504 177.584 0.010 0.000 1.158 325 A CA -0.126 51.916 52.037 0.009 0.000 0.761 325 A CB -0.493 18.513 19.000 0.010 0.000 0.801 325 A HN 0.456 nan 8.150 nan 0.000 0.473 326 L N 1.528 122.758 121.223 0.010 0.000 2.490 326 L HA 0.194 4.533 4.340 -0.001 0.000 0.274 326 L C 0.718 177.594 176.870 0.009 0.000 1.201 326 L CA 0.166 55.013 54.840 0.011 0.000 0.869 326 L CB 0.562 42.628 42.059 0.011 0.000 1.123 326 L HN 0.470 nan 8.230 nan 0.000 0.484 327 S N 1.318 117.024 115.700 0.010 0.000 2.651 327 S HA 0.611 5.081 4.470 -0.001 0.000 0.279 327 S C 0.439 175.045 174.600 0.011 0.000 1.148 327 S CA -0.283 57.922 58.200 0.009 0.000 0.837 327 S CB 1.652 64.857 63.200 0.008 0.000 1.138 327 S HN 0.598 nan 8.310 nan 0.000 0.478 328 A N 0.591 123.417 122.820 0.009 0.000 1.978 328 A HA -0.068 4.252 4.320 -0.001 0.000 0.220 328 A C 1.947 179.539 177.584 0.014 0.000 1.170 328 A CA 1.334 53.377 52.037 0.011 0.000 0.636 328 A CB -0.845 18.160 19.000 0.009 0.000 0.810 328 A HN 0.731 nan 8.150 nan 0.000 0.448 329 Q N 0.118 119.926 119.800 0.013 0.000 2.436 329 Q HA -0.090 4.249 4.340 -0.001 0.000 0.209 329 Q C 0.389 176.398 176.000 0.017 0.000 0.965 329 Q CA 0.937 56.749 55.803 0.014 0.000 0.910 329 Q CB -0.189 28.556 28.738 0.011 0.000 0.980 329 Q HN 0.658 nan 8.270 nan 0.000 0.491 330 D N -0.184 120.227 120.400 0.018 0.000 2.339 330 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 330 D C 0.407 176.724 176.300 0.028 0.000 1.050 330 D CA 0.104 54.117 54.000 0.022 0.000 0.856 330 D CB 0.607 41.420 40.800 0.021 0.000 0.922 330 D HN 0.197 nan 8.370 nan 0.000 0.518 331 L N 0.777 122.016 121.223 0.028 0.000 2.371 331 L HA 0.430 4.770 4.340 -0.001 0.000 0.272 331 L C 1.121 178.012 176.870 0.036 0.000 1.124 331 L CA -0.530 54.331 54.840 0.034 0.000 0.816 331 L CB 1.392 43.468 42.059 0.029 0.000 1.129 331 L HN -0.137 nan 8.230 nan 0.000 0.448 332 G N 1.119 109.946 108.800 0.045 0.000 2.471 332 G HA2 0.481 4.440 3.960 -0.001 0.000 0.332 332 G HA3 0.481 4.440 3.960 -0.001 0.000 0.332 332 G C -1.248 173.680 174.900 0.046 0.000 1.176 332 G CA -0.460 44.667 45.100 0.044 0.000 0.949 332 G HN 0.520 nan 8.290 nan 0.000 0.488 333 D N -0.176 120.248 120.400 0.040 0.000 2.248 333 D HA 0.620 5.260 4.640 -0.001 0.000 0.246 333 D C -0.285 176.034 176.300 0.033 0.000 1.027 333 D CA 0.042 54.063 54.000 0.034 0.000 0.853 333 D CB 2.137 42.952 40.800 0.026 0.000 1.243 333 D HN 0.580 nan 8.370 nan 0.000 0.462 334 A N 0.428 123.269 122.820 0.035 0.000 2.486 334 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 334 A C 0.929 178.528 177.584 0.026 0.000 1.048 334 A CA -0.420 51.638 52.037 0.035 0.000 0.696 334 A CB 1.718 20.755 19.000 0.062 0.000 1.278 334 A HN 0.500 nan 8.150 nan 0.000 0.405 335 G N 0.223 109.032 108.800 0.016 0.000 2.404 335 G HA2 0.291 4.250 3.960 -0.001 0.000 0.215 335 G HA3 0.291 4.250 3.960 -0.001 0.000 0.215 335 G C 0.306 175.218 174.900 0.021 0.000 1.174 335 G CA 1.682 46.787 45.100 0.009 0.000 0.780 335 G HN 1.158 nan 8.290 nan 0.000 0.537 336 L N -0.048 121.196 121.223 0.036 0.000 2.493 336 L HA 0.647 4.986 4.340 -0.001 0.000 0.265 336 L C -1.354 175.564 176.870 0.079 0.000 0.954 336 L CA -0.807 54.060 54.840 0.046 0.000 0.844 336 L CB 2.578 44.657 42.059 0.033 0.000 1.302 336 L HN -0.120 nan 8.230 nan 0.000 0.405 337 V N 4.426 124.390 119.914 0.084 0.000 2.376 337 V HA 0.638 4.758 4.120 -0.001 0.000 0.287 337 V C -0.538 175.620 176.094 0.106 0.000 1.015 337 V CA -0.441 61.932 62.300 0.122 0.000 0.834 337 V CB 1.419 33.319 31.823 0.128 0.000 1.001 337 V HN 0.829 nan 8.190 nan 0.000 0.428 338 E N 3.154 123.441 120.200 0.145 0.000 2.308 338 E HA 0.388 4.737 4.350 -0.001 0.000 0.275 338 E C -1.019 175.688 176.600 0.177 0.000 0.890 338 E CA -0.654 55.817 56.400 0.119 0.000 0.754 338 E CB 2.193 31.936 29.700 0.073 0.000 1.207 338 E HN 0.751 nan 8.360 nan 0.000 0.426 339 E N 4.332 124.606 120.200 0.123 0.000 2.152 339 E HA 0.236 4.586 4.350 -0.001 0.000 0.285 339 E C -0.906 175.770 176.600 0.127 0.000 1.043 339 E CA -0.205 56.275 56.400 0.133 0.000 0.839 339 E CB 0.678 30.424 29.700 0.078 0.000 1.069 339 E HN 0.351 nan 8.360 nan 0.000 0.399 340 R N 3.702 124.321 120.500 0.199 0.000 2.686 340 R HA 0.396 4.736 4.340 -0.001 0.000 0.283 340 R C -0.818 175.578 176.300 0.162 0.000 0.978 340 R CA -0.908 55.281 56.100 0.148 0.000 0.897 340 R CB 2.021 32.381 30.300 0.101 0.000 1.192 340 R HN 0.333 nan 8.270 nan 0.000 0.457 341 K N 2.682 123.138 120.400 0.094 0.000 2.367 341 K HA 0.406 4.726 4.320 -0.001 0.000 0.263 341 K C -0.885 175.758 176.600 0.072 0.000 1.000 341 K CA -0.490 55.845 56.287 0.080 0.000 0.891 341 K CB 1.215 33.744 32.500 0.049 0.000 1.117 341 K HN 0.290 nan 8.250 nan 0.000 0.443 342 I N 1.688 122.313 120.570 0.092 0.000 2.382 342 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 342 I C 0.574 176.723 176.117 0.054 0.000 1.002 342 I CA -0.053 61.293 61.300 0.076 0.000 1.135 342 I CB 1.907 39.978 38.000 0.118 0.000 1.288 342 I HN 0.667 nan 8.210 nan 0.000 0.448 343 S N 4.432 120.153 115.700 0.036 0.000 3.672 343 S HA -0.181 4.289 4.470 -0.001 0.000 0.319 343 S C 1.263 175.876 174.600 0.022 0.000 1.151 343 S CA 1.370 59.585 58.200 0.025 0.000 0.911 343 S CB -1.248 61.965 63.200 0.023 0.000 0.939 343 S HN 1.697 nan 8.310 nan 0.000 0.524 344 G N -0.018 108.797 108.800 0.024 0.000 2.383 344 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.229 344 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.229 344 G C -0.294 174.621 174.900 0.026 0.000 1.089 344 G CA 0.290 45.403 45.100 0.021 0.000 0.640 344 G HN 0.688 nan 8.290 nan 0.000 0.510 345 D N 1.270 121.687 120.400 0.029 0.000 2.345 345 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 345 D C 0.447 176.774 176.300 0.045 0.000 1.108 345 D CA 0.647 54.665 54.000 0.029 0.000 0.894 345 D CB 1.573 42.385 40.800 0.021 0.000 1.203 345 D HN 0.259 nan 8.370 nan 0.000 0.430 346 S N 2.051 117.775 115.700 0.041 0.000 2.523 346 S HA 0.481 4.951 4.470 -0.001 0.000 0.275 346 S C -0.131 174.499 174.600 0.050 0.000 1.281 346 S CA -0.728 57.505 58.200 0.056 0.000 1.050 346 S CB 0.047 63.274 63.200 0.046 0.000 0.937 346 S HN 0.406 nan 8.310 nan 0.000 0.492 347 M N 4.537 124.183 119.600 0.078 0.000 2.421 347 M HA 0.524 5.003 4.480 -0.001 0.000 0.287 347 M C -1.867 174.471 176.300 0.063 0.000 1.183 347 M CA -0.642 54.666 55.300 0.013 0.000 0.916 347 M CB 1.086 33.638 32.600 -0.080 0.000 1.701 347 M HN 0.419 nan 8.290 nan 0.000 0.470 348 I N 2.920 123.494 120.570 0.006 0.000 2.336 348 I HA 0.421 4.591 4.170 -0.001 0.000 0.292 348 I C -1.169 174.928 176.117 -0.033 0.000 0.991 348 I CA -0.392 60.974 61.300 0.110 0.000 1.227 348 I CB 1.113 39.232 38.000 0.199 0.000 1.366 348 I HN 0.503 nan 8.210 nan 0.000 0.466 349 F N 5.828 125.815 119.950 0.063 0.000 2.391 349 F HA 0.352 4.879 4.527 -0.001 0.000 0.359 349 F C 0.137 175.971 175.800 0.056 0.000 1.122 349 F CA -0.648 57.378 58.000 0.042 0.000 1.120 349 F CB 1.290 40.306 39.000 0.027 0.000 1.142 349 F HN 0.031 nan 8.300 nan 0.000 0.483 350 V N 4.380 124.385 119.914 0.152 0.000 2.293 350 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 350 V C -0.307 175.846 176.094 0.098 0.000 1.021 350 V CA -0.559 61.812 62.300 0.118 0.000 0.815 350 V CB 0.485 32.347 31.823 0.066 0.000 1.025 350 V HN 0.824 nan 8.190 nan 0.000 0.448 351 E N 3.044 123.308 120.200 0.107 0.000 2.433 351 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 351 E C -0.690 175.938 176.600 0.048 0.000 0.950 351 E CA -0.872 55.578 56.400 0.083 0.000 0.796 351 E CB 1.617 31.383 29.700 0.110 0.000 1.330 351 E HN 0.194 nan 8.360 nan 0.000 0.455 352 E N -0.958 119.259 120.200 0.028 0.000 2.513 352 E HA -0.161 4.188 4.350 -0.001 0.000 0.257 352 E C -0.489 176.105 176.600 -0.010 0.000 1.098 352 E CA 0.678 57.081 56.400 0.005 0.000 0.752 352 E CB -2.479 27.223 29.700 0.004 0.000 1.324 352 E HN 0.593 nan 8.360 nan 0.000 0.403 353 C N 0.472 119.768 119.300 -0.007 0.000 2.705 353 C HA 0.071 4.530 4.460 -0.001 0.000 0.382 353 C C 2.362 177.308 174.990 -0.073 0.000 1.322 353 C CA -0.065 58.942 59.018 -0.018 0.000 2.290 353 C CB 0.422 28.163 27.740 0.002 0.000 2.650 353 C HN 0.408 nan 8.230 nan 0.000 0.695 354 K N 0.302 120.640 120.400 -0.102 0.000 1.969 354 K HA -0.106 4.213 4.320 -0.001 0.000 0.216 354 K C 0.416 176.718 176.600 -0.497 0.000 1.048 354 K CA 1.468 57.591 56.287 -0.275 0.000 0.948 354 K CB -0.113 32.276 32.500 -0.184 0.000 0.726 354 K HN 0.670 nan 8.250 nan 0.000 0.442 355 H N 0.247 119.323 119.070 0.010 0.000 2.448 355 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 355 H C -2.506 172.826 175.328 0.006 0.000 1.391 355 H CA -2.013 54.039 56.048 0.007 0.000 1.477 355 H CB 0.614 30.379 29.762 0.006 0.000 1.520 355 H HN 0.189 nan 8.280 nan 0.000 0.502 356 P HA 0.069 nan 4.420 nan 0.000 0.271 356 P C 0.682 178.010 177.300 0.047 0.000 1.226 356 P CA -0.406 62.721 63.100 0.045 0.000 0.765 356 P CB 1.673 33.387 31.700 0.023 0.000 0.835 357 K N 0.938 121.359 120.400 0.034 0.000 2.358 357 K HA 0.375 4.695 4.320 -0.001 0.000 0.197 357 K C 0.599 177.204 176.600 0.010 0.000 1.025 357 K CA 0.004 56.305 56.287 0.023 0.000 1.104 357 K CB 0.739 33.250 32.500 0.019 0.000 0.855 357 K HN 0.551 nan 8.250 nan 0.000 0.531 358 A N 0.899 123.722 122.820 0.005 0.000 2.486 358 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 358 A C -0.559 177.022 177.584 -0.005 0.000 1.048 358 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 358 A CB 1.516 20.505 19.000 -0.019 0.000 1.278 358 A HN -0.063 nan 8.150 nan 0.000 0.405 359 V N -1.217 118.694 119.914 -0.006 0.000 3.102 359 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 359 V C -0.434 175.653 176.094 -0.011 0.000 1.135 359 V CA -0.621 61.678 62.300 -0.002 0.000 1.022 359 V CB 1.639 33.467 31.823 0.008 0.000 1.056 359 V HN 0.900 nan 8.190 nan 0.000 0.436 360 T N 3.333 117.884 114.554 -0.005 0.000 2.861 360 T HA 0.580 4.930 4.350 -0.001 0.000 0.287 360 T C -0.631 174.072 174.700 0.006 0.000 1.003 360 T CA -0.259 61.830 62.100 -0.017 0.000 0.977 360 T CB 1.515 70.353 68.868 -0.051 0.000 0.996 360 T HN 0.982 nan 8.240 nan 0.000 0.448 361 M N 4.256 123.857 119.600 0.001 0.000 2.066 361 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 361 M C -1.501 174.807 176.300 0.014 0.000 1.053 361 M CA -1.102 54.207 55.300 0.015 0.000 0.983 361 M CB 0.571 33.177 32.600 0.010 0.000 1.520 361 M HN 0.476 nan 8.290 nan 0.000 0.428 362 L N 7.578 128.824 121.223 0.039 0.000 2.255 362 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 362 L C -1.231 175.664 176.870 0.041 0.000 1.046 362 L CA 0.064 54.932 54.840 0.047 0.000 0.816 362 L CB 0.513 42.638 42.059 0.110 0.000 1.197 362 L HN 0.672 nan 8.230 nan 0.000 0.427 363 I N 5.883 126.468 120.570 0.025 0.000 2.331 363 I HA 0.437 4.607 4.170 -0.001 0.000 0.292 363 I C 0.137 176.267 176.117 0.022 0.000 0.998 363 I CA -0.585 60.727 61.300 0.021 0.000 1.267 363 I CB 0.581 38.588 38.000 0.013 0.000 1.386 363 I HN 0.526 nan 8.210 nan 0.000 0.476 364 R N 4.122 124.636 120.500 0.023 0.000 2.873 364 R HA 0.900 5.239 4.340 -0.001 0.000 0.264 364 R C -0.273 176.037 176.300 0.017 0.000 1.026 364 R CA -1.042 55.071 56.100 0.021 0.000 1.002 364 R CB 1.945 32.260 30.300 0.025 0.000 1.174 364 R HN 0.864 nan 8.270 nan 0.000 0.488 365 G N -1.033 107.776 108.800 0.015 0.000 2.340 365 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 365 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 365 G C -0.073 174.835 174.900 0.013 0.000 1.498 365 G CA -0.249 44.859 45.100 0.014 0.000 0.847 365 G HN 0.377 nan 8.290 nan 0.000 0.594 366 T N -0.551 114.012 114.554 0.015 0.000 3.035 366 T HA 0.315 4.665 4.350 -0.001 0.000 0.268 366 T C 0.777 175.485 174.700 0.014 0.000 1.109 366 T CA 2.114 64.222 62.100 0.014 0.000 1.119 366 T CB -0.236 68.642 68.868 0.016 0.000 0.900 366 T HN 0.700 nan 8.240 nan 0.000 0.503 367 T N 0.191 114.754 114.554 0.016 0.000 2.894 367 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 367 T C 0.284 174.980 174.700 -0.007 0.000 1.208 367 T CA -0.682 61.426 62.100 0.013 0.000 1.016 367 T CB 2.160 71.054 68.868 0.043 0.000 1.192 367 T HN -0.078 nan 8.240 nan 0.000 0.491 368 E N 0.708 120.871 120.200 -0.061 0.000 2.085 368 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 368 E C 1.566 178.084 176.600 -0.137 0.000 0.994 368 E CA 1.838 58.158 56.400 -0.133 0.000 0.801 368 E CB -0.060 29.500 29.700 -0.234 0.000 0.743 368 E HN 0.609 nan 8.360 nan 0.000 0.453 369 H N -0.885 118.188 119.070 0.005 0.000 2.495 369 H HA 0.018 4.574 4.556 -0.001 0.000 0.287 369 H C 2.035 177.366 175.328 0.005 0.000 1.033 369 H CA 1.147 57.198 56.048 0.004 0.000 1.307 369 H CB 0.112 29.876 29.762 0.004 0.000 1.401 369 H HN 0.113 nan 8.280 nan 0.000 0.555 370 V N 1.970 121.949 119.914 0.109 0.000 2.283 370 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 370 V C 2.656 178.775 176.094 0.043 0.000 1.039 370 V CA 1.670 64.008 62.300 0.065 0.000 1.016 370 V CB -0.519 31.331 31.823 0.046 0.000 0.650 370 V HN 0.401 nan 8.190 nan 0.000 0.449 371 I N -1.077 119.508 120.570 0.026 0.000 2.756 371 I HA -0.150 4.020 4.170 -0.001 0.000 0.262 371 I C 2.239 178.365 176.117 0.015 0.000 1.225 371 I CA 1.858 63.167 61.300 0.015 0.000 1.472 371 I CB -0.499 37.503 38.000 0.003 0.000 1.094 371 I HN 0.422 nan 8.210 nan 0.000 0.454 372 E N 1.799 122.013 120.200 0.022 0.000 2.046 372 E HA -0.272 4.078 4.350 -0.001 0.000 0.190 372 E C 2.232 178.857 176.600 0.042 0.000 0.982 372 E CA 1.061 57.481 56.400 0.033 0.000 0.800 372 E CB -0.144 29.593 29.700 0.061 0.000 0.756 372 E HN 0.542 nan 8.360 nan 0.000 0.449 373 E N 0.597 120.830 120.200 0.054 0.000 2.153 373 E HA -0.148 4.201 4.350 -0.001 0.000 0.194 373 E C 2.094 178.711 176.600 0.029 0.000 0.988 373 E CA 1.042 57.467 56.400 0.041 0.000 0.811 373 E CB 0.101 29.826 29.700 0.043 0.000 0.746 373 E HN 0.215 nan 8.360 nan 0.000 0.466 374 V N 1.376 121.307 119.914 0.027 0.000 2.358 374 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 374 V C 2.667 178.771 176.094 0.017 0.000 1.047 374 V CA 1.631 63.944 62.300 0.021 0.000 1.035 374 V CB -0.929 30.905 31.823 0.020 0.000 0.658 374 V HN 0.359 nan 8.190 nan 0.000 0.452 375 A N 0.507 123.336 122.820 0.015 0.000 1.908 375 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 375 A C 2.310 179.900 177.584 0.011 0.000 1.181 375 A CA 2.434 54.477 52.037 0.010 0.000 0.627 375 A CB -0.552 18.452 19.000 0.007 0.000 0.818 375 A HN 0.469 nan 8.150 nan 0.000 0.445 376 R N 0.036 120.544 120.500 0.014 0.000 2.075 376 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 376 R C 2.174 178.482 176.300 0.012 0.000 1.126 376 R CA 1.886 57.993 56.100 0.013 0.000 0.963 376 R CB -0.893 29.417 30.300 0.016 0.000 0.858 376 R HN 0.393 nan 8.270 nan 0.000 0.435 377 A N 0.133 122.962 122.820 0.015 0.000 1.883 377 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 377 A C 2.225 179.817 177.584 0.013 0.000 1.186 377 A CA 2.072 54.119 52.037 0.016 0.000 0.624 377 A CB -0.969 18.042 19.000 0.019 0.000 0.822 377 A HN 0.329 nan 8.150 nan 0.000 0.444 378 V N -2.434 117.487 119.914 0.012 0.000 2.871 378 V HA -0.118 4.002 4.120 -0.001 0.000 0.256 378 V C 1.913 178.012 176.094 0.007 0.000 1.082 378 V CA 2.018 64.324 62.300 0.010 0.000 1.105 378 V CB -0.662 31.167 31.823 0.009 0.000 0.713 378 V HN 0.549 nan 8.190 nan 0.000 0.473 379 D N 1.518 121.922 120.400 0.007 0.000 2.104 379 D HA -0.263 4.377 4.640 -0.001 0.000 0.194 379 D C 1.625 177.928 176.300 0.005 0.000 0.994 379 D CA 2.300 56.302 54.000 0.004 0.000 0.830 379 D CB -0.069 40.734 40.800 0.004 0.000 0.959 379 D HN 0.602 nan 8.370 nan 0.000 0.452 380 D N 0.109 120.513 120.400 0.007 0.000 2.144 380 D HA -0.061 4.579 4.640 -0.001 0.000 0.200 380 D C 2.040 178.344 176.300 0.007 0.000 0.978 380 D CA 1.371 55.375 54.000 0.007 0.000 0.833 380 D CB -0.262 40.543 40.800 0.008 0.000 0.961 380 D HN 0.254 nan 8.370 nan 0.000 0.470 381 A N 0.386 123.211 122.820 0.008 0.000 1.908 381 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 381 A C 2.365 179.953 177.584 0.006 0.000 1.181 381 A CA 1.184 53.226 52.037 0.008 0.000 0.627 381 A CB -0.841 18.164 19.000 0.009 0.000 0.818 381 A HN 0.152 nan 8.150 nan 0.000 0.445 382 V N -0.115 119.802 119.914 0.005 0.000 2.295 382 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 382 V C 2.830 178.926 176.094 0.004 0.000 1.049 382 V CA 2.012 64.314 62.300 0.004 0.000 1.024 382 V CB -1.495 30.330 31.823 0.003 0.000 0.648 382 V HN 0.618 nan 8.190 nan 0.000 0.447 383 G N 0.457 109.259 108.800 0.004 0.000 2.446 383 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 383 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 383 G C 1.724 176.626 174.900 0.004 0.000 1.168 383 G CA 1.664 46.766 45.100 0.003 0.000 0.771 383 G HN 0.594 nan 8.290 nan 0.000 0.551 384 V N -1.438 118.479 119.914 0.005 0.000 2.591 384 V HA -0.010 4.110 4.120 -0.001 0.000 0.249 384 V C 2.653 178.750 176.094 0.005 0.000 1.053 384 V CA 1.370 63.673 62.300 0.005 0.000 1.068 384 V CB -0.487 31.340 31.823 0.007 0.000 0.689 384 V HN 0.132 nan 8.190 nan 0.000 0.462 385 V N 1.991 121.908 119.914 0.005 0.000 2.453 385 V HA -0.025 4.095 4.120 -0.001 0.000 0.247 385 V C 2.904 179.000 176.094 0.004 0.000 1.048 385 V CA 2.138 64.441 62.300 0.005 0.000 1.049 385 V CB -1.298 30.527 31.823 0.005 0.000 0.672 385 V HN 0.625 nan 8.190 nan 0.000 0.457 386 G N -1.117 107.685 108.800 0.004 0.000 2.422 386 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 386 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 386 G C 1.722 176.624 174.900 0.003 0.000 1.146 386 G CA 1.290 46.392 45.100 0.003 0.000 0.769 386 G HN 0.536 nan 8.290 nan 0.000 0.547 387 C N 0.541 119.843 119.300 0.003 0.000 2.429 387 C HA -0.024 4.435 4.460 -0.001 0.000 0.277 387 C C 3.208 178.200 174.990 0.004 0.000 1.262 387 C CA 1.505 60.525 59.018 0.003 0.000 1.733 387 C CB -1.037 26.705 27.740 0.004 0.000 2.010 387 C HN 0.426 nan 8.230 nan 0.000 0.483 388 T N 1.100 115.656 114.554 0.004 0.000 2.833 388 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 388 T C 1.567 176.269 174.700 0.003 0.000 1.054 388 T CA 1.205 63.307 62.100 0.004 0.000 1.135 388 T CB -0.212 68.659 68.868 0.004 0.000 0.869 388 T HN 0.514 nan 8.240 nan 0.000 0.466 389 I N 0.461 121.033 120.570 0.003 0.000 2.480 389 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 389 I C 2.518 178.636 176.117 0.002 0.000 1.124 389 I CA 0.940 62.241 61.300 0.003 0.000 1.444 389 I CB -0.211 37.791 38.000 0.003 0.000 1.098 389 I HN 0.227 nan 8.210 nan 0.000 0.428 390 E N 0.132 120.334 120.200 0.002 0.000 2.110 390 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 390 E C 0.532 177.133 176.600 0.002 0.000 0.988 390 E CA 0.828 57.229 56.400 0.002 0.000 0.804 390 E CB 0.166 29.867 29.700 0.002 0.000 0.745 390 E HN 0.257 nan 8.360 nan 0.000 0.458 391 D N -1.045 119.356 120.400 0.002 0.000 2.620 391 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 391 D C -0.194 176.107 176.300 0.003 0.000 1.207 391 D CA -0.364 53.638 54.000 0.002 0.000 0.884 391 D CB 1.596 42.398 40.800 0.002 0.000 1.262 391 D HN 0.055 nan 8.370 nan 0.000 0.552 392 G N 3.397 112.198 108.800 0.002 0.000 3.340 392 G HA2 0.085 4.044 3.960 -0.001 0.000 0.240 392 G HA3 0.085 4.044 3.960 -0.001 0.000 0.240 392 G C 0.405 175.307 174.900 0.003 0.000 1.327 392 G CA -0.140 44.962 45.100 0.003 0.000 1.170 392 G HN 0.293 nan 8.290 nan 0.000 0.520 393 R N -0.460 120.042 120.500 0.004 0.000 2.621 393 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 393 R C -0.761 175.543 176.300 0.006 0.000 0.969 393 R CA -0.789 55.314 56.100 0.005 0.000 0.887 393 R CB 2.044 32.346 30.300 0.005 0.000 1.180 393 R HN 0.265 nan 8.270 nan 0.000 0.450 394 I N -1.051 119.524 120.570 0.007 0.000 3.002 394 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 394 I C -0.537 175.587 176.117 0.012 0.000 1.087 394 I CA -1.188 60.118 61.300 0.009 0.000 1.017 394 I CB 2.084 40.089 38.000 0.009 0.000 1.226 394 I HN 0.359 nan 8.210 nan 0.000 0.443 395 V N -0.142 119.780 119.914 0.015 0.000 2.962 395 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 395 V C 0.059 176.168 176.094 0.024 0.000 1.099 395 V CA -0.467 61.845 62.300 0.021 0.000 0.971 395 V CB 1.125 32.960 31.823 0.020 0.000 1.028 395 V HN 1.139 nan 8.190 nan 0.000 0.430 396 S N 2.177 117.897 115.700 0.033 0.000 2.562 396 S HA 0.650 5.119 4.470 -0.001 0.000 0.281 396 S C 0.589 175.209 174.600 0.033 0.000 1.333 396 S CA 0.160 58.383 58.200 0.037 0.000 1.052 396 S CB 0.867 64.098 63.200 0.052 0.000 0.884 396 S HN 1.772 nan 8.310 nan 0.000 0.506 397 G N 0.575 109.394 108.800 0.032 0.000 2.630 397 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 397 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 397 G C 0.931 175.847 174.900 0.027 0.000 1.434 397 G CA -0.541 44.575 45.100 0.027 0.000 1.057 397 G HN 2.040 nan 8.290 nan 0.000 0.570 398 G N -1.918 106.898 108.800 0.026 0.000 2.225 398 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 398 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 398 G C 1.478 176.375 174.900 -0.006 0.000 1.024 398 G CA 1.214 46.326 45.100 0.020 0.000 0.784 398 G HN 2.457 nan 8.290 nan 0.000 0.507 399 G N -1.401 107.386 108.800 -0.021 0.000 2.162 399 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 399 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 399 G C 1.510 176.358 174.900 -0.086 0.000 0.976 399 G CA 1.692 46.761 45.100 -0.053 0.000 0.655 399 G HN 1.957 nan 8.290 nan 0.000 0.533 400 S N 0.120 115.788 115.700 -0.053 0.000 2.370 400 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 400 S C 2.800 177.315 174.600 -0.141 0.000 1.033 400 S CA 2.847 61.001 58.200 -0.076 0.000 1.011 400 S CB -0.592 62.660 63.200 0.086 0.000 0.852 400 S HN 1.399 nan 8.310 nan 0.000 0.457 401 T N 0.025 114.546 114.554 -0.054 0.000 2.614 401 T HA -0.095 4.254 4.350 -0.001 0.000 0.263 401 T C 1.568 176.215 174.700 -0.089 0.000 1.055 401 T CA 1.623 63.699 62.100 -0.040 0.000 1.162 401 T CB -1.064 67.794 68.868 -0.016 0.000 0.863 401 T HN 0.417 nan 8.240 nan 0.000 0.414 402 E N 0.937 121.081 120.200 -0.092 0.000 2.187 402 E HA -0.077 4.273 4.350 -0.001 0.000 0.199 402 E C 2.239 178.758 176.600 -0.135 0.000 1.004 402 E CA 0.968 57.307 56.400 -0.102 0.000 0.813 402 E CB -0.705 28.936 29.700 -0.099 0.000 0.736 402 E HN 0.436 nan 8.360 nan 0.000 0.468 403 V N 0.435 120.215 119.914 -0.223 0.000 2.453 403 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 403 V C 2.262 178.170 176.094 -0.311 0.000 1.048 403 V CA 1.760 63.877 62.300 -0.304 0.000 1.049 403 V CB -0.366 31.175 31.823 -0.471 0.000 0.672 403 V HN 0.217 nan 8.190 nan 0.000 0.457 404 E N 0.785 120.773 120.200 -0.354 0.000 2.077 404 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 404 E C 2.017 178.628 176.600 0.019 0.000 0.989 404 E CA 1.574 57.974 56.400 0.000 0.000 0.800 404 E CB -0.420 29.365 29.700 0.142 0.000 0.746 404 E HN 0.553 nan 8.360 nan 0.000 0.452 405 L N -0.009 121.204 121.223 -0.017 0.000 2.046 405 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 405 L C 2.666 179.554 176.870 0.031 0.000 1.077 405 L CA 1.353 56.202 54.840 0.015 0.000 0.747 405 L CB -0.668 41.395 42.059 0.007 0.000 0.896 405 L HN 0.195 nan 8.230 nan 0.000 0.432 406 S N -0.313 115.383 115.700 -0.006 0.000 2.356 406 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 406 S C 2.126 176.749 174.600 0.038 0.000 1.032 406 S CA 1.258 59.463 58.200 0.008 0.000 1.005 406 S CB -0.016 63.167 63.200 -0.027 0.000 0.867 406 S HN 0.212 nan 8.310 nan 0.000 0.449 407 M N 0.888 120.510 119.600 0.037 0.000 2.117 407 M HA 0.033 4.513 4.480 -0.001 0.000 0.262 407 M C 1.996 178.342 176.300 0.076 0.000 1.065 407 M CA 1.466 56.804 55.300 0.064 0.000 1.114 407 M CB -0.996 31.662 32.600 0.096 0.000 1.361 407 M HN 0.239 nan 8.290 nan 0.000 0.408 408 K N -0.009 120.438 120.400 0.079 0.000 2.211 408 K HA 0.194 4.513 4.320 -0.001 0.000 0.201 408 K C 2.065 178.736 176.600 0.117 0.000 1.052 408 K CA 0.567 56.906 56.287 0.085 0.000 0.973 408 K CB -0.223 32.315 32.500 0.064 0.000 0.766 408 K HN 0.352 nan 8.250 nan 0.000 0.466 409 L N 0.347 121.642 121.223 0.120 0.000 2.240 409 L HA -0.010 4.330 4.340 -0.001 0.000 0.211 409 L C 2.298 179.293 176.870 0.208 0.000 1.106 409 L CA 0.745 55.699 54.840 0.189 0.000 0.793 409 L CB -0.194 41.980 42.059 0.192 0.000 0.927 409 L HN 0.075 nan 8.230 nan 0.000 0.446 410 R N 0.037 120.621 120.500 0.140 0.000 2.148 410 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 410 R C 1.976 178.333 176.300 0.095 0.000 1.088 410 R CA 0.979 57.143 56.100 0.107 0.000 0.985 410 R CB -0.051 30.294 30.300 0.075 0.000 0.880 410 R HN 0.446 nan 8.270 nan 0.000 0.451 411 E N -0.498 119.767 120.200 0.109 0.000 2.112 411 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 411 E C 1.437 178.106 176.600 0.116 0.000 0.979 411 E CA 0.676 57.132 56.400 0.094 0.000 0.814 411 E CB -0.052 29.702 29.700 0.090 0.000 0.762 411 E HN 0.280 nan 8.360 nan 0.000 0.460 412 Y N 1.593 121.909 120.300 0.027 0.000 2.224 412 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 412 Y C 2.179 178.091 175.900 0.019 0.000 1.146 412 Y CA 1.257 59.368 58.100 0.020 0.000 1.182 412 Y CB -0.383 38.088 38.460 0.017 0.000 0.983 412 Y HN -0.013 nan 8.280 nan 0.000 0.524 413 A N 0.241 123.065 122.820 0.007 0.000 1.940 413 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 413 A C 2.119 179.649 177.584 -0.090 0.000 1.176 413 A CA 1.858 53.862 52.037 -0.055 0.000 0.631 413 A CB -0.532 18.497 19.000 0.047 0.000 0.814 413 A HN 0.523 nan 8.150 nan 0.000 0.446 414 E N -0.496 119.673 120.200 -0.051 0.000 2.072 414 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 414 E C 2.186 178.740 176.600 -0.077 0.000 0.985 414 E CA 1.172 57.546 56.400 -0.043 0.000 0.801 414 E CB -0.696 28.998 29.700 -0.010 0.000 0.750 414 E HN 0.590 nan 8.360 nan 0.000 0.452 415 G N 1.297 110.027 108.800 -0.117 0.000 2.422 415 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.218 415 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.218 415 G C 1.584 176.374 174.900 -0.182 0.000 1.140 415 G CA 0.248 45.267 45.100 -0.134 0.000 0.775 415 G HN 0.110 nan 8.290 nan 0.000 0.545 416 I N 0.209 120.617 120.570 -0.270 0.000 2.233 416 I HA 0.025 4.195 4.170 -0.001 0.000 0.243 416 I C 1.677 177.717 176.117 -0.129 0.000 1.093 416 I CA 1.026 62.180 61.300 -0.243 0.000 1.380 416 I CB -1.116 36.697 38.000 -0.311 0.000 1.067 416 I HN 0.300 nan 8.210 nan 0.000 0.413 417 S N -1.113 114.526 115.700 -0.101 0.000 3.513 417 S HA -0.107 4.363 4.470 -0.001 0.000 0.636 417 S C 0.749 175.322 174.600 -0.046 0.000 2.452 417 S CA 1.348 59.513 58.200 -0.059 0.000 2.644 417 S CB -1.364 61.806 63.200 -0.050 0.000 0.331 417 S HN 1.421 nan 8.310 nan 0.000 1.787 418 G N 1.120 109.901 108.800 -0.031 0.000 2.578 418 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 418 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 418 G C 0.341 175.233 174.900 -0.014 0.000 1.271 418 G CA 1.637 46.724 45.100 -0.022 0.000 0.941 418 G HN 1.879 nan 8.290 nan 0.000 0.564 419 R N 0.401 120.895 120.500 -0.009 0.000 2.236 419 R HA 0.228 4.568 4.340 -0.001 0.000 0.208 419 R C 2.003 178.303 176.300 -0.001 0.000 1.036 419 R CA 1.646 57.746 56.100 0.000 0.000 1.001 419 R CB -0.202 30.102 30.300 0.006 0.000 0.896 419 R HN 0.664 nan 8.270 nan 0.000 0.464 420 E N 1.568 121.760 120.200 -0.013 0.000 2.204 420 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 420 E C 1.809 178.404 176.600 -0.008 0.000 0.989 420 E CA 1.435 57.824 56.400 -0.017 0.000 0.824 420 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 420 E HN 0.596 nan 8.360 nan 0.000 0.477 421 Q N 0.682 120.472 119.800 -0.017 0.000 2.230 421 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 421 Q C 1.985 178.008 176.000 0.038 0.000 0.963 421 Q CA 0.948 56.746 55.803 -0.009 0.000 0.866 421 Q CB -0.306 28.418 28.738 -0.024 0.000 0.931 421 Q HN 0.206 nan 8.270 nan 0.000 0.452 422 L N 0.347 121.595 121.223 0.041 0.000 2.109 422 L HA 0.178 4.518 4.340 -0.001 0.000 0.207 422 L C 2.245 179.183 176.870 0.114 0.000 1.086 422 L CA 1.796 56.675 54.840 0.065 0.000 0.760 422 L CB -0.986 41.100 42.059 0.045 0.000 0.910 422 L HN 0.302 nan 8.230 nan 0.000 0.437 423 A N -1.156 121.728 122.820 0.107 0.000 1.898 423 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 423 A C 2.232 180.025 177.584 0.349 0.000 1.181 423 A CA 1.938 54.081 52.037 0.177 0.000 0.620 423 A CB -1.001 18.015 19.000 0.027 0.000 0.819 423 A HN 0.265 nan 8.150 nan 0.000 0.442 424 V N -0.175 119.875 119.914 0.228 0.000 2.358 424 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 424 V C 2.618 178.871 176.094 0.265 0.000 1.047 424 V CA 2.151 64.603 62.300 0.254 0.000 1.035 424 V CB -0.775 31.157 31.823 0.181 0.000 0.658 424 V HN 0.620 nan 8.190 nan 0.000 0.452 425 R N 0.083 120.693 120.500 0.184 0.000 2.096 425 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 425 R C 2.257 178.644 176.300 0.144 0.000 1.127 425 R CA 1.545 57.730 56.100 0.142 0.000 0.968 425 R CB -0.345 30.011 30.300 0.093 0.000 0.861 425 R HN 0.503 nan 8.270 nan 0.000 0.440 426 A N 0.030 122.960 122.820 0.183 0.000 1.929 426 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 426 A C 1.895 179.549 177.584 0.117 0.000 1.176 426 A CA 0.819 52.954 52.037 0.164 0.000 0.628 426 A CB -0.634 18.505 19.000 0.231 0.000 0.816 426 A HN 0.479 nan 8.150 nan 0.000 0.444 427 F N 1.152 121.116 119.950 0.023 0.000 2.095 427 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 427 F C 2.528 178.259 175.800 -0.116 0.000 1.104 427 F CA 1.492 59.375 58.000 -0.195 0.000 1.232 427 F CB -0.363 38.572 39.000 -0.109 0.000 0.987 427 F HN 0.249 nan 8.300 nan 0.000 0.475 428 A N -0.435 122.470 122.820 0.142 0.000 1.902 428 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 428 A C 1.982 179.533 177.584 -0.056 0.000 1.181 428 A CA 1.953 54.017 52.037 0.046 0.000 0.623 428 A CB -1.176 17.895 19.000 0.118 0.000 0.818 428 A HN 0.499 nan 8.150 nan 0.000 0.443 429 D N 0.019 120.399 120.400 -0.032 0.000 2.123 429 D HA -0.072 4.567 4.640 -0.001 0.000 0.196 429 D C 2.044 178.280 176.300 -0.107 0.000 0.992 429 D CA 1.619 55.590 54.000 -0.049 0.000 0.833 429 D CB -0.248 40.545 40.800 -0.012 0.000 0.954 429 D HN 0.334 nan 8.370 nan 0.000 0.455 430 A N -0.117 122.595 122.820 -0.179 0.000 1.898 430 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 430 A C 2.146 179.572 177.584 -0.263 0.000 1.181 430 A CA 0.901 52.795 52.037 -0.237 0.000 0.620 430 A CB -0.670 18.121 19.000 -0.349 0.000 0.819 430 A HN 0.300 nan 8.150 nan 0.000 0.442 431 L N 0.218 121.243 121.223 -0.330 0.000 2.191 431 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 431 L C 2.140 178.910 176.870 -0.166 0.000 1.103 431 L CA 1.723 56.398 54.840 -0.275 0.000 0.769 431 L CB -0.799 41.086 42.059 -0.290 0.000 0.908 431 L HN 0.482 nan 8.230 nan 0.000 0.438 432 E N -1.374 118.746 120.200 -0.135 0.000 2.333 432 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 432 E C 2.262 178.809 176.600 -0.090 0.000 1.007 432 E CA 0.725 57.067 56.400 -0.098 0.000 0.845 432 E CB -0.157 29.498 29.700 -0.074 0.000 0.766 432 E HN 0.291 nan 8.360 nan 0.000 0.507 433 V N 1.133 120.986 119.914 -0.101 0.000 2.720 433 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 433 V C 1.718 177.765 176.094 -0.078 0.000 1.082 433 V CA 1.089 63.338 62.300 -0.085 0.000 1.101 433 V CB -0.205 31.563 31.823 -0.092 0.000 0.693 433 V HN 0.258 nan 8.190 nan 0.000 0.479 434 I N 0.603 121.122 120.570 -0.086 0.000 2.162 434 I HA -0.035 4.135 4.170 -0.001 0.000 0.238 434 I C 0.222 176.300 176.117 -0.065 0.000 1.076 434 I CA 1.469 62.724 61.300 -0.074 0.000 1.353 434 I CB -2.840 35.113 38.000 -0.078 0.000 1.063 434 I HN 0.311 nan 8.210 nan 0.000 0.408 435 P HA -0.171 nan 4.420 nan 0.000 0.216 435 P C 1.798 179.066 177.300 -0.053 0.000 1.154 435 P CA 1.755 64.819 63.100 -0.060 0.000 0.865 435 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 436 R N -1.467 119.001 120.500 -0.054 0.000 2.075 436 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 436 R C 2.033 178.304 176.300 -0.048 0.000 1.126 436 R CA 1.719 57.790 56.100 -0.048 0.000 0.963 436 R CB -1.005 29.266 30.300 -0.048 0.000 0.858 436 R HN 0.199 nan 8.270 nan 0.000 0.435 437 T N 1.082 115.605 114.554 -0.052 0.000 3.051 437 T HA 0.132 4.481 4.350 -0.001 0.000 0.255 437 T C 1.807 176.474 174.700 -0.055 0.000 1.085 437 T CA 0.139 62.208 62.100 -0.052 0.000 1.109 437 T CB 0.143 68.979 68.868 -0.052 0.000 0.921 437 T HN 0.063 nan 8.240 nan 0.000 0.488 438 L N 0.953 122.141 121.223 -0.057 0.000 2.043 438 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 438 L C 2.823 179.649 176.870 -0.074 0.000 1.075 438 L CA 1.640 56.442 54.840 -0.064 0.000 0.752 438 L CB -0.443 41.583 42.059 -0.056 0.000 0.891 438 L HN 0.258 nan 8.230 nan 0.000 0.432 439 A N -1.253 121.529 122.820 -0.063 0.000 2.030 439 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 439 A C 2.186 179.735 177.584 -0.058 0.000 1.164 439 A CA 0.703 52.702 52.037 -0.063 0.000 0.697 439 A CB -0.260 18.710 19.000 -0.049 0.000 0.827 439 A HN 0.417 nan 8.150 nan 0.000 0.457 440 E N 0.628 120.797 120.200 -0.051 0.000 2.070 440 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 440 E C 1.372 177.942 176.600 -0.050 0.000 1.004 440 E CA 1.624 57.996 56.400 -0.046 0.000 0.805 440 E CB -0.130 29.544 29.700 -0.042 0.000 0.744 440 E HN 0.540 nan 8.360 nan 0.000 0.451 441 N N -0.037 118.628 118.700 -0.058 0.000 2.396 441 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 441 N C 1.361 176.827 175.510 -0.074 0.000 1.028 441 N CA 1.020 54.033 53.050 -0.061 0.000 0.893 441 N CB -0.142 38.306 38.487 -0.064 0.000 0.967 441 N HN 0.227 nan 8.380 nan 0.000 0.440 442 A N 0.063 122.831 122.820 -0.088 0.000 2.119 442 A HA 0.299 4.618 4.320 -0.001 0.000 0.216 442 A C 1.467 179.009 177.584 -0.069 0.000 1.152 442 A CA 1.054 53.031 52.037 -0.101 0.000 0.708 442 A CB -0.384 18.540 19.000 -0.127 0.000 0.805 442 A HN 0.306 nan 8.150 nan 0.000 0.460 443 G N -1.332 107.436 108.800 -0.054 0.000 2.142 443 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 443 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 443 G C -0.050 174.829 174.900 -0.034 0.000 1.015 443 G CA 0.279 45.355 45.100 -0.039 0.000 0.716 443 G HN 0.438 nan 8.290 nan 0.000 0.508 444 L N -0.147 121.053 121.223 -0.038 0.000 2.387 444 L HA 0.547 4.887 4.340 -0.001 0.000 0.266 444 L C 0.357 177.211 176.870 -0.026 0.000 1.059 444 L CA -1.095 53.726 54.840 -0.031 0.000 0.801 444 L CB 0.913 42.951 42.059 -0.035 0.000 1.223 444 L HN 0.099 nan 8.230 nan 0.000 0.456 445 D N 0.724 121.112 120.400 -0.020 0.000 2.338 445 D HA 0.199 4.838 4.640 -0.001 0.000 0.255 445 D C 0.740 177.029 176.300 -0.019 0.000 1.237 445 D CA -0.007 53.983 54.000 -0.017 0.000 0.883 445 D CB 1.850 42.642 40.800 -0.012 0.000 1.087 445 D HN 0.588 nan 8.370 nan 0.000 0.485 446 A N 5.215 128.023 122.820 -0.021 0.000 1.978 446 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 446 A C 2.064 179.637 177.584 -0.018 0.000 1.170 446 A CA 0.891 52.914 52.037 -0.023 0.000 0.636 446 A CB -0.327 18.658 19.000 -0.025 0.000 0.810 446 A HN 0.700 nan 8.150 nan 0.000 0.448 447 I N -0.535 120.026 120.570 -0.014 0.000 2.235 447 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 447 I C 2.434 178.546 176.117 -0.008 0.000 1.085 447 I CA 1.679 62.973 61.300 -0.011 0.000 1.378 447 I CB -1.464 36.531 38.000 -0.008 0.000 1.076 447 I HN 0.572 nan 8.210 nan 0.000 0.415 448 E N 1.556 121.752 120.200 -0.007 0.000 2.051 448 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 448 E C 2.336 178.934 176.600 -0.003 0.000 0.991 448 E CA 1.639 58.036 56.400 -0.004 0.000 0.799 448 E CB -0.094 29.604 29.700 -0.004 0.000 0.748 448 E HN 0.591 nan 8.360 nan 0.000 0.449 449 I N -0.891 119.675 120.570 -0.007 0.000 2.439 449 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 449 I C 2.389 178.501 176.117 -0.007 0.000 1.139 449 I CA 0.592 61.889 61.300 -0.006 0.000 1.438 449 I CB -0.272 37.721 38.000 -0.013 0.000 1.085 449 I HN 0.121 nan 8.210 nan 0.000 0.427 450 L N 1.231 122.448 121.223 -0.011 0.000 2.046 450 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 450 L C 2.343 179.210 176.870 -0.004 0.000 1.077 450 L CA 1.773 56.605 54.840 -0.012 0.000 0.747 450 L CB -0.478 41.572 42.059 -0.015 0.000 0.896 450 L HN 0.119 nan 8.230 nan 0.000 0.432 451 V N -0.521 119.393 119.914 0.000 0.000 2.302 451 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 451 V C 2.521 178.622 176.094 0.012 0.000 1.036 451 V CA 1.886 64.189 62.300 0.006 0.000 1.020 451 V CB -0.568 31.258 31.823 0.005 0.000 0.657 451 V HN 0.401 nan 8.190 nan 0.000 0.453 452 K N -0.257 120.150 120.400 0.011 0.000 2.103 452 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 452 K C 2.046 178.660 176.600 0.025 0.000 1.052 452 K CA 1.104 57.401 56.287 0.016 0.000 0.945 452 K CB -0.223 32.284 32.500 0.012 0.000 0.722 452 K HN 0.300 nan 8.250 nan 0.000 0.443 453 V N 1.306 121.234 119.914 0.022 0.000 2.379 453 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 453 V C 2.381 178.508 176.094 0.054 0.000 1.044 453 V CA 1.432 63.752 62.300 0.034 0.000 1.036 453 V CB -0.445 31.387 31.823 0.015 0.000 0.664 453 V HN 0.296 nan 8.190 nan 0.000 0.453 454 R N 0.545 121.066 120.500 0.034 0.000 2.083 454 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 454 R C 2.265 178.612 176.300 0.077 0.000 1.137 454 R CA 1.972 58.100 56.100 0.046 0.000 0.951 454 R CB -0.472 29.840 30.300 0.021 0.000 0.851 454 R HN 0.474 nan 8.270 nan 0.000 0.434 455 A N 0.537 123.388 122.820 0.052 0.000 1.898 455 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 455 A C 2.361 179.974 177.584 0.048 0.000 1.181 455 A CA 1.575 53.639 52.037 0.044 0.000 0.620 455 A CB -0.742 18.275 19.000 0.028 0.000 0.819 455 A HN 0.562 nan 8.150 nan 0.000 0.442 456 A N -0.940 121.912 122.820 0.053 0.000 1.902 456 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 456 A C 2.025 179.642 177.584 0.055 0.000 1.181 456 A CA 2.114 54.179 52.037 0.047 0.000 0.623 456 A CB -0.851 18.178 19.000 0.048 0.000 0.818 456 A HN 0.781 nan 8.150 nan 0.000 0.443 457 H N -0.267 118.806 119.070 0.006 0.000 2.299 457 H HA 0.091 4.646 4.556 -0.000 0.000 0.302 457 H C 2.210 177.543 175.328 0.007 0.000 1.078 457 H CA 1.987 58.038 56.048 0.006 0.000 1.323 457 H CB -0.263 29.503 29.762 0.005 0.000 1.381 457 H HN 0.371 nan 8.280 nan 0.000 0.498 458 A N -0.595 122.278 122.820 0.088 0.000 1.940 458 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 458 A C 2.577 180.144 177.584 -0.028 0.000 1.176 458 A CA 2.077 54.137 52.037 0.038 0.000 0.631 458 A CB -1.061 17.985 19.000 0.077 0.000 0.814 458 A HN 0.521 nan 8.150 nan 0.000 0.446 459 S N -0.614 115.073 115.700 -0.021 0.000 2.371 459 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 459 S C 1.834 176.407 174.600 -0.046 0.000 1.040 459 S CA 1.038 59.224 58.200 -0.023 0.000 0.958 459 S CB -0.379 62.817 63.200 -0.006 0.000 0.860 459 S HN 0.602 nan 8.310 nan 0.000 0.487 460 N N 1.055 119.722 118.700 -0.054 0.000 2.409 460 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 460 N C 1.054 176.505 175.510 -0.098 0.000 1.032 460 N CA 0.976 53.991 53.050 -0.058 0.000 0.898 460 N CB 0.158 38.624 38.487 -0.034 0.000 0.971 460 N HN 0.609 nan 8.380 nan 0.000 0.441 461 G N 0.602 109.288 108.800 -0.189 0.000 2.342 461 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 461 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 461 G C 0.149 174.797 174.900 -0.419 0.000 1.243 461 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 461 G HN 0.271 nan 8.290 nan 0.000 0.500 462 N N 0.139 118.700 118.700 -0.232 0.000 2.436 462 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 462 N C 1.621 177.147 175.510 0.028 0.000 1.026 462 N CA 1.425 54.433 53.050 -0.070 0.000 0.880 462 N CB -0.138 38.365 38.487 0.027 0.000 1.061 462 N HN 0.837 nan 8.380 nan 0.000 0.434 463 K N -0.221 120.177 120.400 -0.003 0.000 2.387 463 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 463 K C -0.153 176.450 176.600 0.005 0.000 1.022 463 K CA -0.160 56.134 56.287 0.011 0.000 1.128 463 K CB 0.039 32.542 32.500 0.005 0.000 0.853 463 K HN 0.034 nan 8.250 nan 0.000 0.523 464 C N 1.213 120.508 119.300 -0.008 0.000 2.955 464 C HA 0.691 5.150 4.460 -0.001 0.000 0.229 464 C C 0.381 175.373 174.990 0.003 0.000 1.842 464 C CA -0.489 58.525 59.018 -0.008 0.000 1.539 464 C CB -0.683 27.041 27.740 -0.027 0.000 2.869 464 C HN 0.654 nan 8.230 nan 0.000 0.503 465 A N 0.043 122.886 122.820 0.039 0.000 5.810 465 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 465 A C 0.148 177.779 177.584 0.079 0.000 0.903 465 A CA 0.404 52.483 52.037 0.070 0.000 1.207 465 A CB -0.378 18.683 19.000 0.102 0.000 2.339 465 A HN 1.964 nan 8.150 nan 0.000 1.102 466 G N -1.855 107.007 108.800 0.103 0.000 2.787 466 G HA2 0.367 4.326 3.960 -0.001 0.000 0.685 466 G HA3 0.367 4.326 3.960 -0.001 0.000 0.685 466 G C -0.755 174.173 174.900 0.047 0.000 1.437 466 G CA -0.011 45.129 45.100 0.066 0.000 0.872 466 G HN 2.037 nan 8.290 nan 0.000 0.566 467 L N 0.697 121.938 121.223 0.030 0.000 2.289 467 L HA 0.743 5.083 4.340 -0.001 0.000 0.285 467 L C 0.200 177.092 176.870 0.037 0.000 1.049 467 L CA -0.996 53.858 54.840 0.024 0.000 0.804 467 L CB 1.538 43.599 42.059 0.003 0.000 1.195 467 L HN 0.748 nan 8.230 nan 0.000 0.428 468 N N 3.001 121.731 118.700 0.051 0.000 2.501 468 N HA 0.222 4.962 4.740 -0.001 0.000 0.245 468 N C 0.806 176.354 175.510 0.064 0.000 0.974 468 N CA -0.272 52.834 53.050 0.094 0.000 0.941 468 N CB 1.199 39.756 38.487 0.117 0.000 1.122 468 N HN 0.510 nan 8.380 nan 0.000 0.507 469 V N 1.621 121.536 119.914 0.002 0.000 2.913 469 V HA -0.011 4.108 4.120 -0.001 0.000 0.260 469 V C 1.403 177.405 176.094 -0.154 0.000 1.098 469 V CA 1.233 63.464 62.300 -0.116 0.000 1.121 469 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 469 V HN 0.473 nan 8.190 nan 0.000 0.487 470 F N 2.525 122.473 119.950 -0.003 0.000 2.259 470 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 470 F C 2.675 178.474 175.800 -0.001 0.000 1.088 470 F CA 1.850 59.849 58.000 -0.002 0.000 1.358 470 F CB -0.367 38.632 39.000 -0.001 0.000 1.040 470 F HN 0.380 nan 8.300 nan 0.000 0.505 471 T N -4.037 110.619 114.554 0.171 0.000 3.022 471 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 471 T C 1.546 176.276 174.700 0.049 0.000 1.060 471 T CA 0.422 62.578 62.100 0.093 0.000 1.013 471 T CB 0.268 69.182 68.868 0.077 0.000 0.982 471 T HN 0.355 nan 8.240 nan 0.000 0.508 472 G N 1.085 109.904 108.800 0.033 0.000 2.225 472 G HA2 0.230 4.190 3.960 -0.001 0.000 0.264 472 G HA3 0.230 4.190 3.960 -0.001 0.000 0.264 472 G C 0.099 175.006 174.900 0.010 0.000 1.060 472 G CA -0.181 44.922 45.100 0.006 0.000 0.833 472 G HN 1.436 nan 8.290 nan 0.000 0.498 473 A N -1.841 120.991 122.820 0.021 0.000 2.608 473 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 473 A C 0.031 177.632 177.584 0.027 0.000 1.066 473 A CA 0.149 52.198 52.037 0.020 0.000 0.676 473 A CB 1.349 20.362 19.000 0.022 0.000 1.277 473 A HN 1.780 nan 8.150 nan 0.000 0.413 474 V N 1.617 121.545 119.914 0.024 0.000 2.673 474 V HA 0.395 4.514 4.120 -0.001 0.000 0.303 474 V C 0.010 176.124 176.094 0.032 0.000 1.046 474 V CA 0.964 63.282 62.300 0.029 0.000 1.126 474 V CB 0.480 32.320 31.823 0.029 0.000 0.934 474 V HN 0.917 nan 8.190 nan 0.000 0.487 475 E N 3.804 124.027 120.200 0.038 0.000 2.359 475 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 475 E C -1.406 175.215 176.600 0.034 0.000 0.877 475 E CA -0.679 55.742 56.400 0.035 0.000 0.887 475 E CB 0.726 30.451 29.700 0.041 0.000 1.890 475 E HN 0.704 nan 8.360 nan 0.000 0.419 476 D N 1.262 121.679 120.400 0.028 0.000 2.472 476 D HA 0.180 4.820 4.640 -0.001 0.000 0.234 476 D C 0.839 177.156 176.300 0.027 0.000 1.088 476 D CA -0.279 53.736 54.000 0.025 0.000 0.882 476 D CB 0.647 41.456 40.800 0.015 0.000 1.037 476 D HN 0.188 nan 8.370 nan 0.000 0.520 477 M N 1.660 121.282 119.600 0.036 0.000 2.159 477 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 477 M C 2.321 178.636 176.300 0.025 0.000 1.063 477 M CA 0.783 56.105 55.300 0.037 0.000 1.110 477 M CB -1.143 31.484 32.600 0.045 0.000 1.374 477 M HN 0.530 nan 8.290 nan 0.000 0.411 478 C N 0.641 119.955 119.300 0.022 0.000 2.432 478 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 478 C C 2.705 177.700 174.990 0.007 0.000 1.249 478 C CA 1.408 60.435 59.018 0.014 0.000 1.725 478 C CB -0.921 26.827 27.740 0.013 0.000 2.028 478 C HN 0.636 nan 8.230 nan 0.000 0.477 479 E N 0.029 120.233 120.200 0.007 0.000 2.110 479 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 479 E C 1.377 177.975 176.600 -0.003 0.000 0.988 479 E CA 1.166 57.566 56.400 0.001 0.000 0.804 479 E CB -0.182 29.519 29.700 0.002 0.000 0.745 479 E HN 0.654 nan 8.360 nan 0.000 0.458 480 N N -0.372 118.327 118.700 -0.001 0.000 2.398 480 N HA 0.004 4.744 4.740 -0.001 0.000 0.188 480 N C 0.758 176.256 175.510 -0.019 0.000 1.122 480 N CA 0.905 53.948 53.050 -0.012 0.000 0.866 480 N CB 0.979 39.463 38.487 -0.005 0.000 0.970 480 N HN 0.332 nan 8.380 nan 0.000 0.462 481 G N 0.470 109.265 108.800 -0.009 0.000 2.153 481 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 481 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 481 G C 0.049 174.947 174.900 -0.002 0.000 0.994 481 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 481 G HN 0.205 nan 8.290 nan 0.000 0.521 482 V N 1.491 121.411 119.914 0.010 0.000 2.222 482 V HA 0.495 4.615 4.120 -0.001 0.000 0.253 482 V C 0.766 176.878 176.094 0.029 0.000 1.210 482 V CA 0.161 62.478 62.300 0.028 0.000 1.079 482 V CB 0.412 32.266 31.823 0.052 0.000 1.265 482 V HN 1.065 nan 8.190 nan 0.000 0.494 483 V N 1.479 121.406 119.914 0.021 0.000 3.007 483 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 483 V C -0.715 175.389 176.094 0.017 0.000 1.120 483 V CA -0.759 61.553 62.300 0.019 0.000 0.980 483 V CB 2.559 34.391 31.823 0.015 0.000 1.033 483 V HN 0.636 nan 8.190 nan 0.000 0.429 484 E N 1.921 122.130 120.200 0.016 0.000 2.369 484 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 484 E C -3.240 173.366 176.600 0.010 0.000 0.909 484 E CA -2.407 54.001 56.400 0.013 0.000 0.775 484 E CB 2.153 31.860 29.700 0.012 0.000 1.270 484 E HN 0.467 nan 8.360 nan 0.000 0.445 485 P HA -0.008 nan 4.420 nan 0.000 0.268 485 P C 0.865 178.169 177.300 0.006 0.000 1.205 485 P CA -0.349 62.755 63.100 0.007 0.000 0.771 485 P CB 0.478 32.181 31.700 0.006 0.000 0.858 486 L N 4.532 125.759 121.223 0.006 0.000 2.042 486 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 486 L C 2.199 179.072 176.870 0.005 0.000 1.076 486 L CA 1.894 56.738 54.840 0.006 0.000 0.749 486 L CB -0.698 41.364 42.059 0.006 0.000 0.893 486 L HN 0.272 nan 8.230 nan 0.000 0.432 487 R N -1.197 119.305 120.500 0.004 0.000 2.117 487 R HA -0.164 4.176 4.340 -0.001 0.000 0.243 487 R C 2.117 178.419 176.300 0.003 0.000 1.143 487 R CA 1.614 57.716 56.100 0.004 0.000 0.968 487 R CB -0.725 29.577 30.300 0.003 0.000 0.863 487 R HN 0.346 nan 8.270 nan 0.000 0.444 488 V N 1.323 121.239 119.914 0.003 0.000 2.261 488 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 488 V C 2.224 178.318 176.094 0.000 0.000 1.047 488 V CA 1.685 63.986 62.300 0.002 0.000 1.015 488 V CB -0.298 31.526 31.823 0.002 0.000 0.642 488 V HN 0.217 nan 8.190 nan 0.000 0.446 489 K N -0.344 120.056 120.400 0.000 0.000 2.167 489 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 489 K C 2.174 178.775 176.600 0.001 0.000 1.052 489 K CA 1.262 57.548 56.287 -0.003 0.000 0.956 489 K CB -0.560 31.938 32.500 -0.003 0.000 0.735 489 K HN 0.481 nan 8.250 nan 0.000 0.451 490 T N 1.256 115.812 114.554 0.004 0.000 2.812 490 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 490 T C 1.900 176.606 174.700 0.010 0.000 1.042 490 T CA 1.212 63.317 62.100 0.007 0.000 1.140 490 T CB -0.005 68.867 68.868 0.005 0.000 0.870 490 T HN 0.129 nan 8.240 nan 0.000 0.445 491 Q N 1.252 121.057 119.800 0.007 0.000 2.123 491 Q HA 0.158 4.498 4.340 -0.001 0.000 0.199 491 Q C 2.269 178.274 176.000 0.009 0.000 0.966 491 Q CA 1.502 57.310 55.803 0.008 0.000 0.845 491 Q CB -0.619 28.123 28.738 0.006 0.000 0.907 491 Q HN 0.476 nan 8.270 nan 0.000 0.439 492 A N 0.505 123.327 122.820 0.003 0.000 1.858 492 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 492 A C 1.933 179.517 177.584 -0.000 0.000 1.190 492 A CA 1.614 53.649 52.037 -0.003 0.000 0.617 492 A CB -0.712 18.281 19.000 -0.011 0.000 0.827 492 A HN 0.443 nan 8.150 nan 0.000 0.443 493 I N -0.118 120.456 120.570 0.008 0.000 2.252 493 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 493 I C 2.649 178.806 176.117 0.068 0.000 1.102 493 I CA 1.769 63.087 61.300 0.030 0.000 1.385 493 I CB -1.481 36.549 38.000 0.050 0.000 1.064 493 I HN 0.595 nan 8.210 nan 0.000 0.414 494 Q N 0.879 120.710 119.800 0.051 0.000 2.002 494 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 494 Q C 2.385 178.414 176.000 0.048 0.000 0.988 494 Q CA 2.722 58.555 55.803 0.049 0.000 0.843 494 Q CB 0.092 28.846 28.738 0.027 0.000 0.908 494 Q HN 0.360 nan 8.270 nan 0.000 0.420 495 S N 0.289 116.008 115.700 0.032 0.000 2.368 495 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 495 S C 1.938 176.557 174.600 0.032 0.000 1.029 495 S CA 0.885 59.102 58.200 0.028 0.000 0.988 495 S CB -0.340 62.870 63.200 0.017 0.000 0.838 495 S HN 0.571 nan 8.310 nan 0.000 0.462 496 A N 1.671 124.506 122.820 0.025 0.000 1.877 496 A HA 0.078 4.398 4.320 -0.001 0.000 0.216 496 A C 2.359 179.967 177.584 0.041 0.000 1.186 496 A CA 1.756 53.801 52.037 0.013 0.000 0.620 496 A CB -1.127 17.862 19.000 -0.018 0.000 0.822 496 A HN 0.516 nan 8.150 nan 0.000 0.443 497 A N -0.588 122.285 122.820 0.089 0.000 1.933 497 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 497 A C 1.976 179.652 177.584 0.153 0.000 1.175 497 A CA 2.110 54.257 52.037 0.183 0.000 0.628 497 A CB -0.419 18.774 19.000 0.323 0.000 0.814 497 A HN 0.543 nan 8.150 nan 0.000 0.444 498 E N -0.153 120.107 120.200 0.101 0.000 2.072 498 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 498 E C 2.221 178.863 176.600 0.070 0.000 0.982 498 E CA 1.448 57.895 56.400 0.079 0.000 0.803 498 E CB -0.341 29.391 29.700 0.053 0.000 0.755 498 E HN 0.461 nan 8.360 nan 0.000 0.453 499 S N -1.277 114.457 115.700 0.057 0.000 2.383 499 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 499 S C 1.885 176.517 174.600 0.054 0.000 1.026 499 S CA 1.657 59.884 58.200 0.044 0.000 0.981 499 S CB -0.543 62.675 63.200 0.029 0.000 0.818 499 S HN 0.407 nan 8.310 nan 0.000 0.472 500 T N 1.732 116.328 114.554 0.071 0.000 2.652 500 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 500 T C 1.761 176.541 174.700 0.133 0.000 1.039 500 T CA 1.649 63.806 62.100 0.094 0.000 1.153 500 T CB -0.481 68.451 68.868 0.107 0.000 0.863 500 T HN 0.587 nan 8.240 nan 0.000 0.428 501 E N 0.583 120.882 120.200 0.166 0.000 2.085 501 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 501 E C 2.253 178.899 176.600 0.077 0.000 0.994 501 E CA 1.069 57.554 56.400 0.142 0.000 0.801 501 E CB -0.234 29.550 29.700 0.141 0.000 0.743 501 E HN 0.459 nan 8.360 nan 0.000 0.453 502 M N 0.240 119.878 119.600 0.064 0.000 2.082 502 M HA -0.242 4.237 4.480 -0.001 0.000 0.258 502 M C 1.951 178.272 176.300 0.035 0.000 1.069 502 M CA 1.422 56.748 55.300 0.043 0.000 1.102 502 M CB -0.050 32.572 32.600 0.037 0.000 1.336 502 M HN 0.178 nan 8.290 nan 0.000 0.404 503 L N 0.392 121.637 121.223 0.036 0.000 2.083 503 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 503 L C 2.143 179.025 176.870 0.019 0.000 1.083 503 L CA 1.657 56.511 54.840 0.022 0.000 0.752 503 L CB -0.921 41.149 42.059 0.017 0.000 0.899 503 L HN 0.402 nan 8.230 nan 0.000 0.433 504 L N -1.584 119.659 121.223 0.034 0.000 2.395 504 L HA -0.099 4.241 4.340 -0.001 0.000 0.218 504 L C 2.489 179.364 176.870 0.008 0.000 1.130 504 L CA 0.429 55.280 54.840 0.019 0.000 0.826 504 L CB -0.361 41.714 42.059 0.028 0.000 0.941 504 L HN 0.206 nan 8.230 nan 0.000 0.451 505 R N 0.014 120.525 120.500 0.018 0.000 2.115 505 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 505 R C 0.273 176.582 176.300 0.016 0.000 1.111 505 R CA 0.618 56.728 56.100 0.017 0.000 0.976 505 R CB -0.149 30.165 30.300 0.023 0.000 0.870 505 R HN 0.140 nan 8.270 nan 0.000 0.445 506 I N 2.164 122.743 120.570 0.015 0.000 2.496 506 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 506 I C 0.656 176.782 176.117 0.015 0.000 1.080 506 I CA 0.239 61.550 61.300 0.018 0.000 1.404 506 I CB 1.158 39.169 38.000 0.019 0.000 1.403 506 I HN 0.140 nan 8.210 nan 0.000 0.539 507 D N 2.272 122.685 120.400 0.020 0.000 2.469 507 D HA 0.176 4.815 4.640 -0.001 0.000 0.213 507 D C -0.312 176.009 176.300 0.035 0.000 1.135 507 D CA -0.007 54.005 54.000 0.019 0.000 0.834 507 D CB 0.319 41.127 40.800 0.013 0.000 1.009 507 D HN 0.359 nan 8.370 nan 0.000 0.507 508 D N -0.282 120.144 120.400 0.044 0.000 2.812 508 D HA 0.218 4.857 4.640 -0.001 0.000 0.210 508 D C -1.672 174.667 176.300 0.064 0.000 1.260 508 D CA -0.512 53.522 54.000 0.056 0.000 0.817 508 D CB 2.192 43.016 40.800 0.040 0.000 1.694 508 D HN -0.183 nan 8.370 nan 0.000 0.530 509 V N 4.070 124.040 119.914 0.094 0.000 2.384 509 V HA 0.544 4.664 4.120 -0.001 0.000 0.287 509 V C 0.044 176.186 176.094 0.079 0.000 1.020 509 V CA -0.588 61.772 62.300 0.100 0.000 0.850 509 V CB 1.216 33.139 31.823 0.166 0.000 0.987 509 V HN 0.415 nan 8.190 nan 0.000 0.436 510 I N 4.510 125.113 120.570 0.056 0.000 2.355 510 I HA 0.671 4.841 4.170 -0.001 0.000 0.288 510 I C 0.431 176.571 176.117 0.038 0.000 0.999 510 I CA -0.107 61.217 61.300 0.040 0.000 1.163 510 I CB 1.747 39.764 38.000 0.028 0.000 1.316 510 I HN 0.652 nan 8.210 nan 0.000 0.454 511 A N 5.113 127.954 122.820 0.035 0.000 2.276 511 A HA 0.884 5.204 4.320 -0.001 0.000 0.316 511 A C 0.167 177.762 177.584 0.018 0.000 1.229 511 A CA -0.568 51.487 52.037 0.029 0.000 0.851 511 A CB 0.695 19.715 19.000 0.034 0.000 1.165 511 A HN 0.780 nan 8.150 nan 0.000 0.513 512 A N 1.970 124.799 122.820 0.015 0.000 2.371 512 A HA 0.475 4.795 4.320 -0.001 0.000 0.257 512 A C 0.593 178.181 177.584 0.008 0.000 1.089 512 A CA -0.158 51.885 52.037 0.010 0.000 0.794 512 A CB 0.087 19.093 19.000 0.010 0.000 1.029 512 A HN 0.951 nan 8.150 nan 0.000 0.488 513 E N 0.000 120.203 120.200 0.005 0.000 2.725 513 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 513 E CA 0.000 56.402 56.400 0.003 0.000 0.976 513 E CB 0.000 29.701 29.700 0.002 0.000 0.812 513 E HN 0.000 nan 8.360 nan 0.000 0.440