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 1r0k_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQPRTVTVLG ATGSIGHSTL DLIERNLDRY QVIALTANRN VKDLADAAKR DATA SEQUENCE TNAKRAVIAD PSLYNDLKEA LAGSSVEAAA GADALVEAAM MGADWTMAAI DATA SEQUENCE IGCAGLKATL AAIRKGKTVA LANKESLVSA GGLMIDAVRE HGTTLLPVDS DATA SEQUENCE EHNAIFQCFP HHNRDYVRRI IITASGGPFR TTSLAEMATV TPERAVQXXX DATA SEQUENCE XXXGAKISID SATMMNKGLE LIEAFHLFQI PLEKFEILVH PQSVIHSMVE DATA SEQUENCE YLDGSILAQI GSPDMRTPIG HTLAWPKRME TPAESLDFTK LRQMDFEAPD DATA SEQUENCE YERFPALTLA MESIKSGGAR PAVMNAANEI AVAAFLDKKI GFLDIAKIVE DATA SEQUENCE KTLDHYTPAT PSSLEDVFAI DNEARIQAAA LMESLP 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.569 174.600 -0.052 0.000 1.055 2 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 2 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 3 Q N -0.023 119.755 119.800 -0.037 0.000 2.584 3 Q HA 0.472 4.811 4.340 -0.000 0.000 0.235 3 Q C -2.496 173.473 176.000 -0.052 0.000 1.079 3 Q CA -1.187 54.594 55.803 -0.036 0.000 0.977 3 Q CB -1.203 27.525 28.738 -0.016 0.000 1.293 3 Q HN 0.426 nan 8.270 nan 0.000 0.553 4 P HA -0.003 nan 4.420 nan 0.000 0.266 4 P C -1.013 176.281 177.300 -0.009 0.000 1.195 4 P CA 0.062 63.121 63.100 -0.067 0.000 0.768 4 P CB 0.525 32.206 31.700 -0.033 0.000 0.838 5 R N 1.840 122.345 120.500 0.008 0.000 2.404 5 R HA 0.344 4.684 4.340 -0.000 0.000 0.291 5 R C -0.194 176.231 176.300 0.209 0.000 1.025 5 R CA -0.427 55.747 56.100 0.124 0.000 0.991 5 R CB 0.549 30.955 30.300 0.177 0.000 1.053 5 R HN 0.518 nan 8.270 nan 0.000 0.479 6 T N 1.088 115.742 114.554 0.168 0.000 2.832 6 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 6 T C 0.214 175.035 174.700 0.202 0.000 0.968 6 T CA -0.754 61.441 62.100 0.158 0.000 1.107 6 T CB 1.038 69.973 68.868 0.111 0.000 0.916 6 T HN 0.377 nan 8.240 nan 0.000 0.517 7 V N 0.028 120.053 119.914 0.185 0.000 2.876 7 V HA 0.902 5.022 4.120 -0.000 0.000 0.312 7 V C -0.461 175.729 176.094 0.160 0.000 1.085 7 V CA -0.716 61.724 62.300 0.233 0.000 0.945 7 V CB 2.009 33.924 31.823 0.153 0.000 1.017 7 V HN 0.991 nan 8.190 nan 0.000 0.428 8 T N 2.733 117.377 114.554 0.150 0.000 2.886 8 T HA 0.686 5.036 4.350 -0.000 0.000 0.292 8 T C -0.965 173.756 174.700 0.035 0.000 1.012 8 T CA -0.411 61.726 62.100 0.063 0.000 0.982 8 T CB 1.819 70.694 68.868 0.012 0.000 1.018 8 T HN 0.819 nan 8.240 nan 0.000 0.451 9 V N 4.674 124.606 119.914 0.031 0.000 2.376 9 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 9 V C -0.425 175.663 176.094 -0.011 0.000 1.015 9 V CA -0.805 61.502 62.300 0.012 0.000 0.834 9 V CB 1.211 33.069 31.823 0.058 0.000 1.001 9 V HN 0.709 nan 8.190 nan 0.000 0.428 10 L N 4.591 125.787 121.223 -0.045 0.000 2.260 10 L HA 0.689 5.029 4.340 -0.000 0.000 0.289 10 L C 1.067 177.922 176.870 -0.025 0.000 1.057 10 L CA -0.072 54.746 54.840 -0.038 0.000 0.811 10 L CB 0.935 42.958 42.059 -0.060 0.000 1.184 10 L HN 0.933 nan 8.230 nan 0.000 0.429 11 G N 2.569 111.365 108.800 -0.007 0.000 2.520 11 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.264 11 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.264 11 G C 0.565 175.477 174.900 0.019 0.000 1.140 11 G CA -0.029 45.073 45.100 0.004 0.000 1.012 11 G HN 0.864 nan 8.290 nan 0.000 0.511 12 A N -0.331 122.505 122.820 0.026 0.000 2.238 12 A HA 0.446 4.766 4.320 -0.000 0.000 0.208 12 A C 2.190 179.812 177.584 0.064 0.000 1.177 12 A CA 2.114 54.177 52.037 0.042 0.000 0.804 12 A CB -0.135 18.887 19.000 0.038 0.000 0.823 12 A HN 1.555 nan 8.150 nan 0.000 0.482 13 T N -3.978 110.611 114.554 0.058 0.000 3.054 13 T HA 0.405 4.755 4.350 -0.000 0.000 0.255 13 T C 1.005 175.740 174.700 0.058 0.000 1.035 13 T CA 0.380 62.522 62.100 0.070 0.000 0.941 13 T CB 0.249 69.144 68.868 0.045 0.000 1.026 13 T HN 0.298 nan 8.240 nan 0.000 0.533 14 G N 1.582 110.413 108.800 0.051 0.000 2.535 14 G HA2 0.398 4.358 3.960 -0.000 0.000 0.282 14 G HA3 0.398 4.358 3.960 -0.000 0.000 0.282 14 G C 1.196 176.133 174.900 0.061 0.000 1.350 14 G CA 0.048 45.170 45.100 0.037 0.000 1.039 14 G HN 0.288 nan 8.290 nan 0.000 0.509 15 S N -0.646 115.079 115.700 0.041 0.000 2.353 15 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 15 S C 2.237 176.888 174.600 0.086 0.000 1.035 15 S CA 1.273 59.507 58.200 0.057 0.000 1.025 15 S CB -0.330 62.886 63.200 0.028 0.000 0.902 15 S HN 0.327 nan 8.310 nan 0.000 0.440 16 I N 2.961 123.566 120.570 0.059 0.000 2.226 16 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 16 I C 2.893 179.053 176.117 0.072 0.000 1.100 16 I CA 1.543 62.878 61.300 0.058 0.000 1.374 16 I CB -2.249 35.774 38.000 0.039 0.000 1.057 16 I HN 0.508 nan 8.210 nan 0.000 0.413 17 G N -0.451 108.392 108.800 0.072 0.000 2.418 17 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 17 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 17 G C 1.653 176.605 174.900 0.087 0.000 1.158 17 G CA 1.186 46.330 45.100 0.073 0.000 0.771 17 G HN 0.430 nan 8.290 nan 0.000 0.545 18 H N 0.810 119.892 119.070 0.020 0.000 2.353 18 H HA 0.014 4.569 4.556 -0.000 0.000 0.300 18 H C 2.755 178.095 175.328 0.019 0.000 1.090 18 H CA 1.848 57.907 56.048 0.018 0.000 1.327 18 H CB 0.019 29.789 29.762 0.013 0.000 1.383 18 H HN 0.295 nan 8.280 nan 0.000 0.508 19 S N -0.926 114.810 115.700 0.060 0.000 2.402 19 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 19 S C 2.058 176.644 174.600 -0.025 0.000 1.021 19 S CA 1.407 59.612 58.200 0.008 0.000 0.974 19 S CB -0.215 63.018 63.200 0.055 0.000 0.800 19 S HN 0.557 nan 8.310 nan 0.000 0.484 20 T N 2.895 117.453 114.554 0.008 0.000 2.701 20 T HA 0.058 4.407 4.350 -0.000 0.000 0.263 20 T C 1.771 176.441 174.700 -0.050 0.000 1.040 20 T CA 0.903 63.014 62.100 0.017 0.000 1.147 20 T CB -0.451 68.479 68.868 0.103 0.000 0.865 20 T HN 0.233 nan 8.240 nan 0.000 0.426 21 L N 0.872 122.056 121.223 -0.065 0.000 2.127 21 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 21 L C 2.526 179.319 176.870 -0.128 0.000 1.089 21 L CA 1.377 56.162 54.840 -0.092 0.000 0.757 21 L CB -0.520 41.484 42.059 -0.090 0.000 0.899 21 L HN 0.288 nan 8.230 nan 0.000 0.434 22 D N 0.125 120.413 120.400 -0.186 0.000 2.123 22 D HA -0.204 4.436 4.640 -0.000 0.000 0.196 22 D C 2.264 178.516 176.300 -0.081 0.000 0.992 22 D CA 1.283 55.188 54.000 -0.159 0.000 0.833 22 D CB 0.056 40.756 40.800 -0.166 0.000 0.954 22 D HN 0.207 nan 8.370 nan 0.000 0.455 23 L N -0.073 121.106 121.223 -0.074 0.000 2.109 23 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 23 L C 2.510 179.352 176.870 -0.047 0.000 1.086 23 L CA 0.511 55.320 54.840 -0.053 0.000 0.760 23 L CB -0.304 41.714 42.059 -0.068 0.000 0.910 23 L HN 0.171 nan 8.230 nan 0.000 0.437 24 I N -0.102 120.403 120.570 -0.108 0.000 2.179 24 I HA -0.282 3.887 4.170 -0.000 0.000 0.242 24 I C 2.419 178.557 176.117 0.034 0.000 1.088 24 I CA 1.410 62.648 61.300 -0.103 0.000 1.357 24 I CB -0.272 37.621 38.000 -0.178 0.000 1.051 24 I HN 0.273 nan 8.210 nan 0.000 0.409 25 E N 0.692 120.889 120.200 -0.006 0.000 2.058 25 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 25 E C 2.311 178.923 176.600 0.020 0.000 0.997 25 E CA 1.117 57.522 56.400 0.008 0.000 0.801 25 E CB -0.095 29.593 29.700 -0.020 0.000 0.746 25 E HN 0.363 nan 8.360 nan 0.000 0.450 26 R N 0.423 120.929 120.500 0.010 0.000 2.159 26 R HA -0.037 4.303 4.340 -0.000 0.000 0.237 26 R C 0.681 176.999 176.300 0.029 0.000 1.131 26 R CA 0.848 56.957 56.100 0.014 0.000 0.982 26 R CB 0.003 30.308 30.300 0.008 0.000 0.868 26 R HN 0.127 nan 8.270 nan 0.000 0.453 27 N N 0.303 119.043 118.700 0.068 0.000 2.497 27 N HA 0.009 4.749 4.740 -0.000 0.000 0.284 27 N C 0.366 175.934 175.510 0.095 0.000 1.459 27 N CA -0.053 53.038 53.050 0.068 0.000 0.899 27 N CB 1.031 39.585 38.487 0.113 0.000 1.316 27 N HN 0.032 nan 8.380 nan 0.000 0.500 28 L N 2.092 123.364 121.223 0.081 0.000 2.189 28 L HA -0.172 4.168 4.340 -0.000 0.000 0.214 28 L C 2.056 178.939 176.870 0.022 0.000 1.097 28 L CA 1.850 56.741 54.840 0.086 0.000 0.764 28 L CB -0.292 41.798 42.059 0.051 0.000 0.900 28 L HN 0.281 nan 8.230 nan 0.000 0.436 29 D N -1.049 119.335 120.400 -0.028 0.000 2.263 29 D HA -0.253 4.387 4.640 -0.000 0.000 0.208 29 D C 1.735 177.952 176.300 -0.140 0.000 0.971 29 D CA 1.141 55.102 54.000 -0.064 0.000 0.867 29 D CB -0.237 40.526 40.800 -0.060 0.000 0.929 29 D HN 0.445 nan 8.370 nan 0.000 0.492 30 R N -1.237 119.100 120.500 -0.271 0.000 2.312 30 R HA 0.173 4.513 4.340 -0.000 0.000 0.205 30 R C -0.011 175.859 176.300 -0.717 0.000 0.904 30 R CA 0.077 55.848 56.100 -0.548 0.000 1.052 30 R CB 0.340 30.133 30.300 -0.845 0.000 1.014 30 R HN 0.237 nan 8.270 nan 0.000 0.503 31 Y N -0.020 120.256 120.300 -0.039 0.000 2.499 31 Y HA 0.304 4.854 4.550 -0.000 0.000 0.347 31 Y C -0.243 175.652 175.900 -0.008 0.000 0.987 31 Y CA -1.136 56.946 58.100 -0.030 0.000 1.044 31 Y CB 1.972 40.403 38.460 -0.049 0.000 1.245 31 Y HN -0.219 nan 8.280 nan 0.000 0.461 32 Q N 2.473 122.384 119.800 0.186 0.000 2.381 32 Q HA 0.471 4.811 4.340 -0.000 0.000 0.263 32 Q C -1.704 174.365 176.000 0.115 0.000 1.030 32 Q CA -0.640 55.230 55.803 0.113 0.000 0.772 32 Q CB 1.284 30.070 28.738 0.079 0.000 1.232 32 Q HN 0.629 nan 8.270 nan 0.000 0.476 33 V N 6.317 126.287 119.914 0.094 0.000 2.470 33 V HA -0.003 4.117 4.120 -0.000 0.000 0.276 33 V C 1.152 177.283 176.094 0.063 0.000 1.040 33 V CA 0.082 62.428 62.300 0.076 0.000 1.008 33 V CB 0.479 32.337 31.823 0.058 0.000 0.990 33 V HN 0.833 nan 8.190 nan 0.000 0.477 34 I N 3.608 124.216 120.570 0.063 0.000 2.731 34 I HA 0.298 4.468 4.170 -0.000 0.000 0.235 34 I C 1.077 177.218 176.117 0.039 0.000 1.064 34 I CA 1.051 62.380 61.300 0.049 0.000 1.439 34 I CB -0.578 37.451 38.000 0.049 0.000 1.255 34 I HN 0.647 nan 8.210 nan 0.000 0.446 35 A N 1.250 124.091 122.820 0.036 0.000 2.401 35 A HA 0.789 5.109 4.320 -0.000 0.000 0.310 35 A C -0.964 176.636 177.584 0.026 0.000 1.075 35 A CA -0.387 51.666 52.037 0.027 0.000 0.746 35 A CB 1.800 20.810 19.000 0.016 0.000 1.277 35 A HN 0.251 nan 8.150 nan 0.000 0.425 36 L N 1.277 122.515 121.223 0.025 0.000 2.401 36 L HA 0.766 5.106 4.340 -0.000 0.000 0.266 36 L C 0.070 176.952 176.870 0.021 0.000 0.991 36 L CA -0.599 54.256 54.840 0.025 0.000 0.818 36 L CB 2.681 44.757 42.059 0.029 0.000 1.321 36 L HN 0.941 nan 8.230 nan 0.000 0.413 37 T N -0.443 114.120 114.554 0.016 0.000 2.906 37 T HA 0.937 5.287 4.350 -0.000 0.000 0.295 37 T C -0.739 173.970 174.700 0.016 0.000 1.075 37 T CA -0.565 61.544 62.100 0.014 0.000 1.005 37 T CB 2.532 71.402 68.868 0.003 0.000 1.136 37 T HN 0.828 nan 8.240 nan 0.000 0.498 38 A N 1.045 123.875 122.820 0.017 0.000 2.564 38 A HA 0.765 5.085 4.320 -0.000 0.000 0.288 38 A C 0.457 178.048 177.584 0.012 0.000 1.164 38 A CA -0.711 51.336 52.037 0.017 0.000 0.712 38 A CB 1.416 20.430 19.000 0.022 0.000 1.303 38 A HN 0.848 nan 8.150 nan 0.000 0.418 39 N N -0.776 117.930 118.700 0.009 0.000 2.319 39 N HA 0.088 4.828 4.740 -0.000 0.000 0.189 39 N C 1.213 176.728 175.510 0.007 0.000 1.042 39 N CA 1.557 54.610 53.050 0.004 0.000 0.879 39 N CB 0.124 38.611 38.487 0.001 0.000 1.052 39 N HN 0.589 nan 8.380 nan 0.000 0.446 40 R N -1.138 119.367 120.500 0.008 0.000 2.555 40 R HA 0.232 4.572 4.340 -0.000 0.000 0.312 40 R C -0.393 175.913 176.300 0.010 0.000 0.938 40 R CA -0.240 55.865 56.100 0.009 0.000 1.112 40 R CB 0.238 30.541 30.300 0.005 0.000 1.535 40 R HN 0.060 nan 8.270 nan 0.000 0.525 41 N N 2.115 120.821 118.700 0.011 0.000 2.971 41 N HA 0.007 4.747 4.740 -0.000 0.000 0.294 41 N C 0.940 176.459 175.510 0.015 0.000 1.210 41 N CA 0.160 53.216 53.050 0.011 0.000 1.157 41 N CB 0.579 39.073 38.487 0.011 0.000 1.450 41 N HN -0.062 nan 8.380 nan 0.000 0.527 42 V N 2.236 122.158 119.914 0.014 0.000 2.407 42 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 42 V C 2.456 178.557 176.094 0.013 0.000 1.055 42 V CA 1.580 63.889 62.300 0.014 0.000 1.049 42 V CB -0.347 31.482 31.823 0.010 0.000 0.662 42 V HN 0.583 nan 8.190 nan 0.000 0.455 43 K N -0.030 120.376 120.400 0.010 0.000 2.002 43 K HA -0.224 4.096 4.320 -0.000 0.000 0.209 43 K C 1.829 178.440 176.600 0.018 0.000 1.048 43 K CA 2.015 58.308 56.287 0.010 0.000 0.930 43 K CB -0.224 32.281 32.500 0.007 0.000 0.714 43 K HN 0.412 nan 8.250 nan 0.000 0.438 44 D N 0.760 121.173 120.400 0.023 0.000 2.219 44 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 44 D C 1.812 178.136 176.300 0.041 0.000 0.970 44 D CA 0.528 54.551 54.000 0.037 0.000 0.851 44 D CB -0.054 40.772 40.800 0.043 0.000 0.943 44 D HN 0.160 nan 8.370 nan 0.000 0.488 45 L N 1.090 122.332 121.223 0.033 0.000 2.005 45 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 45 L C 2.143 179.030 176.870 0.028 0.000 1.072 45 L CA 1.835 56.694 54.840 0.032 0.000 0.744 45 L CB -0.904 41.172 42.059 0.029 0.000 0.895 45 L HN -0.030 nan 8.230 nan 0.000 0.433 46 A N -0.688 122.145 122.820 0.022 0.000 1.908 46 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 46 A C 2.080 179.675 177.584 0.019 0.000 1.181 46 A CA 2.053 54.101 52.037 0.017 0.000 0.627 46 A CB -1.157 17.848 19.000 0.009 0.000 0.818 46 A HN 0.646 nan 8.150 nan 0.000 0.445 47 D N -0.371 120.042 120.400 0.022 0.000 2.097 47 D HA -0.034 4.606 4.640 -0.000 0.000 0.195 47 D C 2.002 178.319 176.300 0.027 0.000 0.989 47 D CA 1.750 55.764 54.000 0.025 0.000 0.827 47 D CB -0.225 40.593 40.800 0.030 0.000 0.966 47 D HN 0.334 nan 8.370 nan 0.000 0.456 48 A N 0.412 123.252 122.820 0.033 0.000 1.902 48 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 48 A C 2.381 179.980 177.584 0.025 0.000 1.181 48 A CA 2.150 54.205 52.037 0.029 0.000 0.623 48 A CB -1.087 17.934 19.000 0.036 0.000 0.818 48 A HN 0.348 nan 8.150 nan 0.000 0.443 49 A N -0.111 122.724 122.820 0.025 0.000 1.877 49 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 49 A C 2.113 179.710 177.584 0.022 0.000 1.186 49 A CA 1.839 53.891 52.037 0.025 0.000 0.620 49 A CB -0.430 18.584 19.000 0.025 0.000 0.822 49 A HN 0.527 nan 8.150 nan 0.000 0.443 50 K N -0.935 119.477 120.400 0.019 0.000 2.148 50 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 50 K C 2.243 178.853 176.600 0.017 0.000 1.050 50 K CA 1.215 57.512 56.287 0.016 0.000 0.942 50 K CB -0.106 32.402 32.500 0.013 0.000 0.724 50 K HN 0.439 nan 8.250 nan 0.000 0.446 51 R N 0.946 121.456 120.500 0.018 0.000 2.235 51 R HA -0.070 4.270 4.340 -0.000 0.000 0.213 51 R C 1.075 177.386 176.300 0.018 0.000 1.059 51 R CA 1.669 57.779 56.100 0.016 0.000 0.997 51 R CB 0.166 30.475 30.300 0.016 0.000 0.884 51 R HN 0.226 nan 8.270 nan 0.000 0.462 52 T N -3.901 110.666 114.554 0.021 0.000 3.091 52 T HA 0.103 4.453 4.350 -0.000 0.000 0.277 52 T C 0.236 174.954 174.700 0.031 0.000 0.996 52 T CA -0.041 62.076 62.100 0.028 0.000 0.897 52 T CB -0.223 68.662 68.868 0.029 0.000 1.109 52 T HN 0.430 nan 8.240 nan 0.000 0.534 53 N N 1.115 119.831 118.700 0.026 0.000 2.727 53 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 53 N C 0.241 175.769 175.510 0.029 0.000 1.048 53 N CA -0.054 53.010 53.050 0.025 0.000 0.714 53 N CB -1.148 37.353 38.487 0.024 0.000 0.959 53 N HN 0.814 nan 8.380 nan 0.000 0.544 54 A N 0.561 123.399 122.820 0.030 0.000 2.466 54 A HA 0.054 4.374 4.320 -0.000 0.000 0.238 54 A C 1.194 178.797 177.584 0.031 0.000 1.074 54 A CA 0.308 52.365 52.037 0.033 0.000 0.774 54 A CB 0.416 19.436 19.000 0.032 0.000 1.015 54 A HN 0.510 nan 8.150 nan 0.000 0.498 55 K N -0.109 120.311 120.400 0.033 0.000 2.103 55 K HA -0.019 4.300 4.320 -0.000 0.000 0.204 55 K C 0.967 177.585 176.600 0.029 0.000 1.052 55 K CA 1.161 57.466 56.287 0.030 0.000 0.945 55 K CB 0.124 32.642 32.500 0.030 0.000 0.722 55 K HN 0.686 nan 8.250 nan 0.000 0.443 56 R N -0.559 119.959 120.500 0.030 0.000 2.668 56 R HA 0.444 4.784 4.340 -0.000 0.000 0.272 56 R C -2.133 174.187 176.300 0.033 0.000 1.019 56 R CA -0.450 55.669 56.100 0.033 0.000 0.894 56 R CB 2.060 32.379 30.300 0.030 0.000 1.228 56 R HN 0.026 nan 8.270 nan 0.000 0.460 57 A N 3.045 125.888 122.820 0.039 0.000 2.343 57 A HA 0.659 4.979 4.320 -0.000 0.000 0.316 57 A C -1.300 176.314 177.584 0.050 0.000 1.104 57 A CA -0.595 51.465 52.037 0.039 0.000 0.768 57 A CB 1.836 20.858 19.000 0.037 0.000 1.213 57 A HN 0.344 nan 8.150 nan 0.000 0.456 58 V N 3.264 123.202 119.914 0.040 0.000 2.531 58 V HA 0.423 4.543 4.120 -0.000 0.000 0.301 58 V C -0.772 175.345 176.094 0.039 0.000 1.034 58 V CA -0.412 61.913 62.300 0.042 0.000 0.865 58 V CB 1.484 33.319 31.823 0.020 0.000 0.995 58 V HN 0.826 nan 8.190 nan 0.000 0.424 59 I N 4.051 124.654 120.570 0.055 0.000 2.336 59 I HA 0.633 4.803 4.170 -0.000 0.000 0.292 59 I C 1.271 177.405 176.117 0.028 0.000 0.991 59 I CA 0.191 61.518 61.300 0.045 0.000 1.227 59 I CB 1.686 39.725 38.000 0.064 0.000 1.366 59 I HN 0.717 nan 8.210 nan 0.000 0.466 60 A N 4.875 127.703 122.820 0.012 0.000 1.883 60 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 60 A C 0.785 178.365 177.584 -0.006 0.000 1.186 60 A CA 1.368 53.403 52.037 -0.004 0.000 0.624 60 A CB -0.702 18.292 19.000 -0.009 0.000 0.822 60 A HN 0.732 nan 8.150 nan 0.000 0.444 61 D N -0.431 119.971 120.400 0.005 0.000 2.336 61 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 61 D C -1.679 174.633 176.300 0.020 0.000 1.213 61 D CA -1.788 52.215 54.000 0.005 0.000 0.870 61 D CB 1.077 41.882 40.800 0.008 0.000 1.076 61 D HN 0.065 nan 8.370 nan 0.000 0.483 62 P HA -0.141 nan 4.420 nan 0.000 0.217 62 P C 1.044 178.379 177.300 0.059 0.000 1.148 62 P CA 0.977 64.081 63.100 0.007 0.000 0.828 62 P CB 0.308 31.991 31.700 -0.028 0.000 0.783 63 S N -0.642 115.082 115.700 0.040 0.000 2.419 63 S HA -0.089 4.380 4.470 -0.000 0.000 0.235 63 S C 1.527 176.163 174.600 0.060 0.000 1.019 63 S CA 1.003 59.230 58.200 0.044 0.000 0.982 63 S CB -0.858 62.355 63.200 0.022 0.000 0.789 63 S HN 0.211 nan 8.310 nan 0.000 0.490 64 L N 0.021 121.285 121.223 0.069 0.000 2.628 64 L HA 0.189 4.529 4.340 -0.000 0.000 0.229 64 L C 1.850 178.780 176.870 0.101 0.000 1.137 64 L CA 0.069 54.947 54.840 0.064 0.000 0.909 64 L CB -0.402 41.683 42.059 0.044 0.000 1.137 64 L HN 0.220 nan 8.230 nan 0.000 0.470 65 Y N 1.936 122.233 120.300 -0.006 0.000 2.081 65 Y HA -0.303 4.247 4.550 -0.000 0.000 0.280 65 Y C 2.400 178.299 175.900 -0.003 0.000 1.163 65 Y CA 1.645 59.742 58.100 -0.004 0.000 1.135 65 Y CB -0.195 38.262 38.460 -0.005 0.000 0.970 65 Y HN 0.261 nan 8.280 nan 0.000 0.498 66 N N 0.493 119.115 118.700 -0.131 0.000 2.120 66 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 66 N C 1.338 176.753 175.510 -0.157 0.000 1.024 66 N CA 1.686 54.605 53.050 -0.218 0.000 0.852 66 N CB -0.499 37.935 38.487 -0.088 0.000 1.003 66 N HN 0.457 nan 8.380 nan 0.000 0.424 67 D N 0.794 121.148 120.400 -0.077 0.000 2.117 67 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 67 D C 2.009 178.272 176.300 -0.061 0.000 0.987 67 D CA 0.371 54.340 54.000 -0.052 0.000 0.829 67 D CB -0.333 40.456 40.800 -0.019 0.000 0.961 67 D HN 0.115 nan 8.370 nan 0.000 0.460 68 L N 1.045 122.231 121.223 -0.062 0.000 2.027 68 L HA -0.120 4.219 4.340 -0.000 0.000 0.206 68 L C 1.807 178.620 176.870 -0.095 0.000 1.074 68 L CA 1.793 56.605 54.840 -0.047 0.000 0.745 68 L CB -0.347 41.717 42.059 0.008 0.000 0.898 68 L HN -0.140 nan 8.230 nan 0.000 0.433 69 K N -0.425 119.850 120.400 -0.208 0.000 2.074 69 K HA -0.225 4.094 4.320 -0.000 0.000 0.209 69 K C 2.030 178.554 176.600 -0.127 0.000 1.048 69 K CA 2.080 58.235 56.287 -0.219 0.000 0.926 69 K CB -0.218 32.053 32.500 -0.383 0.000 0.713 69 K HN 0.461 nan 8.250 nan 0.000 0.444 70 E N 0.207 120.339 120.200 -0.114 0.000 2.077 70 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 70 E C 2.031 178.602 176.600 -0.048 0.000 0.989 70 E CA 1.008 57.366 56.400 -0.071 0.000 0.800 70 E CB -0.093 29.570 29.700 -0.061 0.000 0.746 70 E HN 0.351 nan 8.360 nan 0.000 0.452 71 A N 0.721 123.515 122.820 -0.043 0.000 2.019 71 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 71 A C 1.914 179.485 177.584 -0.021 0.000 1.164 71 A CA 1.010 53.032 52.037 -0.025 0.000 0.644 71 A CB -0.271 18.719 19.000 -0.017 0.000 0.805 71 A HN 0.162 nan 8.150 nan 0.000 0.449 72 L N -0.457 120.749 121.223 -0.029 0.000 2.667 72 L HA 0.265 4.605 4.340 -0.000 0.000 0.232 72 L C 1.082 177.938 176.870 -0.023 0.000 1.138 72 L CA -0.319 54.509 54.840 -0.020 0.000 0.921 72 L CB -0.209 41.841 42.059 -0.015 0.000 1.180 72 L HN 0.347 nan 8.230 nan 0.000 0.487 73 A N 0.246 123.047 122.820 -0.030 0.000 2.540 73 A HA 0.359 4.679 4.320 -0.000 0.000 0.239 73 A C 1.492 179.066 177.584 -0.017 0.000 1.061 73 A CA 0.753 52.773 52.037 -0.028 0.000 0.758 73 A CB -0.234 18.748 19.000 -0.031 0.000 0.991 73 A HN 0.611 nan 8.150 nan 0.000 0.502 74 G N 0.978 109.770 108.800 -0.013 0.000 2.179 74 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.257 74 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.257 74 G C 0.400 175.298 174.900 -0.004 0.000 1.010 74 G CA 0.852 45.947 45.100 -0.007 0.000 0.736 74 G HN 1.796 nan 8.290 nan 0.000 0.513 75 S N -1.005 114.693 115.700 -0.003 0.000 2.578 75 S HA 0.706 5.176 4.470 -0.000 0.000 0.301 75 S C 1.592 176.195 174.600 0.005 0.000 1.091 75 S CA 0.692 58.893 58.200 0.001 0.000 1.032 75 S CB 1.556 64.757 63.200 0.002 0.000 1.064 75 S HN 1.204 nan 8.310 nan 0.000 0.508 76 S N 1.960 117.665 115.700 0.008 0.000 2.522 76 S HA 0.092 4.562 4.470 -0.000 0.000 0.227 76 S C 0.469 175.078 174.600 0.015 0.000 0.986 76 S CA -0.093 58.114 58.200 0.011 0.000 0.929 76 S CB -0.472 62.736 63.200 0.012 0.000 0.769 76 S HN 0.505 nan 8.310 nan 0.000 0.529 77 V N 3.007 122.930 119.914 0.015 0.000 2.521 77 V HA 0.166 4.286 4.120 -0.000 0.000 0.286 77 V C 0.426 176.533 176.094 0.023 0.000 1.034 77 V CA -0.249 62.063 62.300 0.020 0.000 1.045 77 V CB 0.314 32.148 31.823 0.019 0.000 0.974 77 V HN 0.447 nan 8.190 nan 0.000 0.480 78 E N 2.837 123.055 120.200 0.030 0.000 2.354 78 E HA 0.554 4.904 4.350 -0.000 0.000 0.269 78 E C -0.029 176.604 176.600 0.055 0.000 1.036 78 E CA -0.221 56.204 56.400 0.041 0.000 0.876 78 E CB 1.143 30.867 29.700 0.041 0.000 1.009 78 E HN 0.845 nan 8.360 nan 0.000 0.416 79 A N 1.803 124.672 122.820 0.082 0.000 2.337 79 A HA 0.814 5.134 4.320 -0.000 0.000 0.329 79 A C -0.878 176.857 177.584 0.250 0.000 1.146 79 A CA -0.246 51.867 52.037 0.127 0.000 0.800 79 A CB 1.448 20.487 19.000 0.066 0.000 1.220 79 A HN 0.614 nan 8.150 nan 0.000 0.472 80 A N 0.297 123.259 122.820 0.238 0.000 2.602 80 A HA 1.001 5.321 4.320 -0.000 0.000 0.290 80 A C -0.566 177.077 177.584 0.098 0.000 1.114 80 A CA -0.026 52.098 52.037 0.146 0.000 0.683 80 A CB 1.102 20.122 19.000 0.033 0.000 1.281 80 A HN 2.642 nan 8.150 nan 0.000 0.416 81 A N -0.791 121.973 122.820 -0.094 0.000 2.612 81 A HA 1.060 5.379 4.320 -0.000 0.000 0.293 81 A C 0.175 177.692 177.584 -0.112 0.000 1.075 81 A CA 0.249 52.251 52.037 -0.058 0.000 0.680 81 A CB 0.866 19.876 19.000 0.018 0.000 1.279 81 A HN 2.980 nan 8.150 nan 0.000 0.411 82 G N -1.411 107.353 108.800 -0.061 0.000 2.619 82 G HA2 0.447 4.407 3.960 -0.000 0.000 0.686 82 G HA3 0.447 4.407 3.960 -0.000 0.000 0.686 82 G C 0.757 175.625 174.900 -0.053 0.000 1.256 82 G CA 0.422 45.483 45.100 -0.066 0.000 0.826 82 G HN 2.215 nan 8.290 nan 0.000 0.619 83 A N -0.348 122.440 122.820 -0.054 0.000 1.902 83 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 83 A C 2.042 179.599 177.584 -0.044 0.000 1.181 83 A CA 2.561 54.568 52.037 -0.050 0.000 0.623 83 A CB -0.454 18.508 19.000 -0.064 0.000 0.818 83 A HN 0.764 nan 8.150 nan 0.000 0.443 84 D N 0.156 120.527 120.400 -0.048 0.000 2.144 84 D HA -0.082 4.557 4.640 -0.000 0.000 0.199 84 D C 2.187 178.462 176.300 -0.040 0.000 0.984 84 D CA 1.499 55.474 54.000 -0.041 0.000 0.834 84 D CB -0.408 40.364 40.800 -0.046 0.000 0.955 84 D HN 0.444 nan 8.370 nan 0.000 0.465 85 A N 0.721 123.512 122.820 -0.049 0.000 1.972 85 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 85 A C 2.399 179.966 177.584 -0.029 0.000 1.169 85 A CA 0.719 52.730 52.037 -0.043 0.000 0.635 85 A CB -0.632 18.334 19.000 -0.056 0.000 0.810 85 A HN 0.190 nan 8.150 nan 0.000 0.446 86 L N -0.724 120.482 121.223 -0.028 0.000 2.056 86 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 86 L C 2.490 179.345 176.870 -0.025 0.000 1.078 86 L CA 1.046 55.872 54.840 -0.023 0.000 0.749 86 L CB -0.557 41.488 42.059 -0.023 0.000 0.901 86 L HN 0.243 nan 8.230 nan 0.000 0.433 87 V N -0.201 119.698 119.914 -0.025 0.000 2.427 87 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 87 V C 2.327 178.404 176.094 -0.028 0.000 1.051 87 V CA 1.653 63.937 62.300 -0.026 0.000 1.048 87 V CB -0.453 31.358 31.823 -0.020 0.000 0.666 87 V HN 0.448 nan 8.190 nan 0.000 0.456 88 E N 0.400 120.585 120.200 -0.026 0.000 2.077 88 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 88 E C 2.349 178.937 176.600 -0.019 0.000 0.989 88 E CA 1.275 57.662 56.400 -0.023 0.000 0.800 88 E CB -0.345 29.342 29.700 -0.022 0.000 0.746 88 E HN 0.597 nan 8.360 nan 0.000 0.452 89 A N 1.483 124.292 122.820 -0.017 0.000 1.902 89 A HA -0.125 4.194 4.320 -0.000 0.000 0.217 89 A C 2.371 179.943 177.584 -0.020 0.000 1.181 89 A CA 1.654 53.683 52.037 -0.012 0.000 0.623 89 A CB -0.598 18.397 19.000 -0.008 0.000 0.818 89 A HN 0.291 nan 8.150 nan 0.000 0.443 90 A N -1.077 121.724 122.820 -0.032 0.000 2.121 90 A HA 0.072 4.391 4.320 -0.000 0.000 0.218 90 A C 1.915 179.471 177.584 -0.047 0.000 1.154 90 A CA 1.417 53.426 52.037 -0.047 0.000 0.679 90 A CB -0.471 18.495 19.000 -0.057 0.000 0.795 90 A HN 0.534 nan 8.150 nan 0.000 0.458 91 M N -1.340 118.238 119.600 -0.037 0.000 2.383 91 M HA 0.277 4.757 4.480 -0.000 0.000 0.247 91 M C 1.312 177.600 176.300 -0.020 0.000 1.117 91 M CA 0.027 55.306 55.300 -0.035 0.000 0.995 91 M CB 0.044 32.623 32.600 -0.035 0.000 1.480 91 M HN 0.315 nan 8.290 nan 0.000 0.485 92 M N -0.065 119.527 119.600 -0.013 0.000 2.549 92 M HA 0.017 4.497 4.480 -0.000 0.000 0.260 92 M C 1.276 177.580 176.300 0.006 0.000 1.076 92 M CA 1.214 56.514 55.300 -0.001 0.000 1.090 92 M CB -0.063 32.540 32.600 0.006 0.000 1.418 92 M HN 0.611 nan 8.290 nan 0.000 0.486 93 G N 0.055 108.856 108.800 0.002 0.000 2.168 93 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.197 93 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.197 93 G C 0.159 175.076 174.900 0.029 0.000 0.997 93 G CA -0.165 44.942 45.100 0.012 0.000 0.658 93 G HN 0.686 nan 8.290 nan 0.000 0.513 94 A N 0.247 123.087 122.820 0.032 0.000 2.540 94 A HA 0.469 4.788 4.320 -0.000 0.000 0.239 94 A C 1.192 178.823 177.584 0.078 0.000 1.061 94 A CA 1.351 53.427 52.037 0.065 0.000 0.758 94 A CB 0.160 19.201 19.000 0.067 0.000 0.991 94 A HN 0.530 nan 8.150 nan 0.000 0.502 95 D N 0.976 121.451 120.400 0.125 0.000 2.178 95 D HA -0.066 4.574 4.640 -0.000 0.000 0.202 95 D C 0.160 176.583 176.300 0.204 0.000 0.974 95 D CA 1.100 55.188 54.000 0.146 0.000 0.841 95 D CB 0.121 41.020 40.800 0.165 0.000 0.953 95 D HN 0.596 nan 8.370 nan 0.000 0.478 96 W N 0.330 121.643 121.300 0.023 0.000 2.600 96 W HA 0.472 5.131 4.660 -0.000 0.000 0.325 96 W C -1.344 175.158 176.519 -0.028 0.000 1.034 96 W CA -0.566 56.780 57.345 0.001 0.000 1.226 96 W CB 1.707 31.170 29.460 0.005 0.000 1.379 96 W HN -0.382 nan 8.180 nan 0.000 0.466 97 T N 6.641 120.823 114.554 -0.621 0.000 2.841 97 T HA 0.327 4.677 4.350 -0.000 0.000 0.285 97 T C -0.707 173.413 174.700 -0.967 0.000 0.991 97 T CA -0.667 61.087 62.100 -0.576 0.000 0.966 97 T CB 1.151 69.828 68.868 -0.320 0.000 0.962 97 T HN 0.410 nan 8.240 nan 0.000 0.438 98 M N 3.960 123.083 119.600 -0.794 0.000 2.077 98 M HA 0.647 5.127 4.480 -0.000 0.000 0.348 98 M C -0.267 175.852 176.300 -0.302 0.000 1.252 98 M CA -0.915 54.017 55.300 -0.612 0.000 1.096 98 M CB 0.021 32.456 32.600 -0.276 0.000 1.568 98 M HN 0.606 nan 8.290 nan 0.000 0.456 99 A N 4.902 127.561 122.820 -0.268 0.000 2.621 99 A HA 0.710 5.030 4.320 -0.000 0.000 0.329 99 A C 0.508 178.027 177.584 -0.109 0.000 1.458 99 A CA -0.036 51.901 52.037 -0.167 0.000 1.052 99 A CB -0.659 18.240 19.000 -0.168 0.000 1.142 99 A HN 1.115 nan 8.150 nan 0.000 0.523 100 A N 2.975 125.751 122.820 -0.074 0.000 2.589 100 A HA 0.444 4.764 4.320 -0.000 0.000 0.283 100 A C 0.344 177.915 177.584 -0.021 0.000 1.187 100 A CA -0.168 51.847 52.037 -0.037 0.000 0.957 100 A CB -0.120 18.869 19.000 -0.017 0.000 1.175 100 A HN 0.665 nan 8.150 nan 0.000 0.532 101 I N 2.547 123.101 120.570 -0.026 0.000 2.471 101 I HA 0.155 4.325 4.170 -0.000 0.000 0.286 101 I C 0.438 176.550 176.117 -0.008 0.000 1.079 101 I CA -0.106 61.185 61.300 -0.014 0.000 1.398 101 I CB 0.826 38.816 38.000 -0.017 0.000 1.403 101 I HN 0.410 nan 8.210 nan 0.000 0.530 102 I N 3.533 124.103 120.570 -0.001 0.000 2.764 102 I HA 0.777 4.947 4.170 -0.000 0.000 0.294 102 I C 0.757 176.881 176.117 0.011 0.000 1.045 102 I CA -0.326 60.977 61.300 0.006 0.000 1.340 102 I CB 0.779 38.784 38.000 0.009 0.000 1.436 102 I HN 0.760 nan 8.210 nan 0.000 0.567 103 G N 3.026 111.838 108.800 0.019 0.000 2.782 103 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.228 103 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.228 103 G C 0.302 175.232 174.900 0.051 0.000 1.372 103 G CA -0.321 44.797 45.100 0.030 0.000 0.862 103 G HN 0.975 nan 8.290 nan 0.000 0.547 104 C N 0.831 120.178 119.300 0.078 0.000 2.419 104 C HA 0.189 4.648 4.460 -0.000 0.000 0.283 104 C C 3.358 178.436 174.990 0.146 0.000 1.373 104 C CA 1.838 60.960 59.018 0.172 0.000 1.781 104 C CB -1.658 26.225 27.740 0.238 0.000 1.886 104 C HN 1.383 nan 8.230 nan 0.000 0.520 105 A N 0.521 123.358 122.820 0.029 0.000 2.125 105 A HA 0.095 4.415 4.320 -0.000 0.000 0.219 105 A C 2.230 179.822 177.584 0.014 0.000 1.156 105 A CA 1.799 53.822 52.037 -0.023 0.000 0.671 105 A CB -0.634 18.343 19.000 -0.039 0.000 0.794 105 A HN 0.584 nan 8.150 nan 0.000 0.459 106 G N -1.077 107.745 108.800 0.036 0.000 2.986 106 G HA2 0.214 4.174 3.960 -0.000 0.000 0.213 106 G HA3 0.214 4.174 3.960 -0.000 0.000 0.213 106 G C 1.303 176.223 174.900 0.035 0.000 1.156 106 G CA 0.260 45.372 45.100 0.020 0.000 0.763 106 G HN 0.395 nan 8.290 nan 0.000 0.547 107 L N 0.140 121.419 121.223 0.094 0.000 2.012 107 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 107 L C 2.926 179.832 176.870 0.059 0.000 1.073 107 L CA 1.038 55.924 54.840 0.075 0.000 0.748 107 L CB -0.296 41.834 42.059 0.118 0.000 0.891 107 L HN 0.027 nan 8.230 nan 0.000 0.431 108 K N 0.301 120.782 120.400 0.137 0.000 2.009 108 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 108 K C 2.192 178.800 176.600 0.013 0.000 1.049 108 K CA 1.771 58.110 56.287 0.087 0.000 0.929 108 K CB -0.613 31.955 32.500 0.114 0.000 0.714 108 K HN 0.305 nan 8.250 nan 0.000 0.440 109 A N 0.754 123.575 122.820 0.001 0.000 1.933 109 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 109 A C 2.347 179.898 177.584 -0.055 0.000 1.175 109 A CA 2.191 54.211 52.037 -0.029 0.000 0.628 109 A CB -0.845 18.137 19.000 -0.030 0.000 0.814 109 A HN 0.356 nan 8.150 nan 0.000 0.444 110 T N -0.036 114.485 114.554 -0.055 0.000 2.777 110 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 110 T C 1.832 176.474 174.700 -0.097 0.000 1.040 110 T CA 1.470 63.519 62.100 -0.085 0.000 1.141 110 T CB -0.321 68.498 68.868 -0.081 0.000 0.868 110 T HN 0.324 nan 8.240 nan 0.000 0.444 111 L N 1.507 122.680 121.223 -0.082 0.000 2.056 111 L HA 0.140 4.480 4.340 -0.000 0.000 0.207 111 L C 2.589 179.393 176.870 -0.110 0.000 1.078 111 L CA 1.760 56.543 54.840 -0.095 0.000 0.749 111 L CB -1.060 40.950 42.059 -0.082 0.000 0.901 111 L HN 0.211 nan 8.230 nan 0.000 0.433 112 A N -0.347 122.418 122.820 -0.091 0.000 1.908 112 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 112 A C 2.462 179.973 177.584 -0.122 0.000 1.181 112 A CA 2.005 53.983 52.037 -0.100 0.000 0.627 112 A CB -1.214 17.745 19.000 -0.068 0.000 0.818 112 A HN 0.583 nan 8.150 nan 0.000 0.445 113 A N -0.225 122.527 122.820 -0.114 0.000 1.902 113 A HA -0.064 4.255 4.320 -0.000 0.000 0.217 113 A C 2.133 179.632 177.584 -0.143 0.000 1.181 113 A CA 1.472 53.435 52.037 -0.124 0.000 0.623 113 A CB -0.592 18.328 19.000 -0.135 0.000 0.818 113 A HN 0.495 nan 8.150 nan 0.000 0.443 114 I N -0.840 119.641 120.570 -0.149 0.000 2.208 114 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 114 I C 2.671 178.669 176.117 -0.198 0.000 1.097 114 I CA 1.381 62.593 61.300 -0.148 0.000 1.363 114 I CB -0.290 37.633 38.000 -0.129 0.000 1.051 114 I HN 0.291 nan 8.210 nan 0.000 0.413 115 R N 0.510 120.828 120.500 -0.303 0.000 2.193 115 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 115 R C 1.935 177.930 176.300 -0.509 0.000 1.110 115 R CA 0.678 56.373 56.100 -0.676 0.000 0.988 115 R CB -0.099 29.861 30.300 -0.565 0.000 0.871 115 R HN 0.192 nan 8.270 nan 0.000 0.458 116 K N -0.416 119.842 120.400 -0.237 0.000 2.439 116 K HA -0.003 4.316 4.320 -0.000 0.000 0.197 116 K C 1.222 177.787 176.600 -0.058 0.000 1.041 116 K CA 0.962 57.175 56.287 -0.123 0.000 0.970 116 K CB -0.035 32.415 32.500 -0.083 0.000 0.773 116 K HN 0.428 nan 8.250 nan 0.000 0.479 117 G N 1.692 110.459 108.800 -0.055 0.000 2.155 117 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.257 117 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.257 117 G C 0.541 175.456 174.900 0.025 0.000 0.983 117 G CA 0.919 46.035 45.100 0.026 0.000 0.676 117 G HN 0.210 nan 8.290 nan 0.000 0.528 118 K N -0.129 120.272 120.400 0.002 0.000 2.879 118 K HA 0.533 4.853 4.320 -0.000 0.000 0.287 118 K C 0.665 177.273 176.600 0.014 0.000 0.988 118 K CA 0.165 56.470 56.287 0.029 0.000 1.528 118 K CB -0.761 31.759 32.500 0.034 0.000 2.046 118 K HN 0.117 nan 8.250 nan 0.000 0.785 119 T N 1.461 116.027 114.554 0.020 0.000 2.794 119 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 119 T C -0.619 173.949 174.700 -0.219 0.000 0.987 119 T CA -0.625 61.462 62.100 -0.022 0.000 0.993 119 T CB 1.150 70.115 68.868 0.162 0.000 0.939 119 T HN 0.043 nan 8.240 nan 0.000 0.449 120 V N 2.579 122.325 119.914 -0.280 0.000 2.443 120 V HA 0.666 4.786 4.120 -0.000 0.000 0.293 120 V C -0.001 175.840 176.094 -0.422 0.000 1.021 120 V CA -1.125 60.939 62.300 -0.393 0.000 0.848 120 V CB 1.556 33.217 31.823 -0.270 0.000 0.998 120 V HN 1.063 nan 8.190 nan 0.000 0.424 121 A N 5.453 127.916 122.820 -0.596 0.000 2.279 121 A HA 0.699 5.018 4.320 -0.000 0.000 0.306 121 A C -0.678 176.725 177.584 -0.301 0.000 1.300 121 A CA -0.290 51.511 52.037 -0.394 0.000 0.925 121 A CB 0.280 19.054 19.000 -0.376 0.000 1.152 121 A HN 0.809 nan 8.150 nan 0.000 0.544 122 L N 3.445 124.539 121.223 -0.215 0.000 2.260 122 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 122 L C 0.818 177.634 176.870 -0.090 0.000 1.057 122 L CA 0.664 55.407 54.840 -0.161 0.000 0.811 122 L CB 1.144 43.105 42.059 -0.164 0.000 1.184 122 L HN 0.692 nan 8.230 nan 0.000 0.429 123 A N 4.059 126.836 122.820 -0.072 0.000 2.070 123 A HA 0.126 4.446 4.320 -0.000 0.000 0.202 123 A C 0.909 178.485 177.584 -0.014 0.000 1.277 123 A CA -0.089 51.934 52.037 -0.024 0.000 0.872 123 A CB -0.277 18.712 19.000 -0.019 0.000 0.933 123 A HN 0.735 nan 8.150 nan 0.000 0.475 124 N N 1.104 119.783 118.700 -0.035 0.000 2.411 124 N HA -0.024 4.716 4.740 -0.000 0.000 0.265 124 N C 0.450 175.951 175.510 -0.016 0.000 1.266 124 N CA 0.366 53.402 53.050 -0.023 0.000 0.889 124 N CB 0.650 39.116 38.487 -0.035 0.000 1.069 124 N HN 0.372 nan 8.380 nan 0.000 0.476 125 K N 3.134 123.538 120.400 0.007 0.000 2.062 125 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 125 K C 1.193 177.794 176.600 0.002 0.000 1.051 125 K CA 1.200 57.499 56.287 0.021 0.000 0.941 125 K CB 0.136 32.661 32.500 0.041 0.000 0.719 125 K HN 0.518 nan 8.250 nan 0.000 0.440 126 E N 0.829 121.029 120.200 0.001 0.000 2.160 126 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 126 E C 1.920 178.493 176.600 -0.045 0.000 0.991 126 E CA 1.083 57.480 56.400 -0.005 0.000 0.810 126 E CB -0.243 29.469 29.700 0.019 0.000 0.742 126 E HN 0.087 nan 8.360 nan 0.000 0.466 127 S N 0.008 115.672 115.700 -0.060 0.000 2.374 127 S HA -0.145 4.325 4.470 -0.000 0.000 0.227 127 S C 1.729 176.235 174.600 -0.158 0.000 1.037 127 S CA 1.110 59.247 58.200 -0.104 0.000 1.024 127 S CB -0.131 63.006 63.200 -0.106 0.000 0.861 127 S HN 0.224 nan 8.310 nan 0.000 0.456 128 L N -0.023 121.114 121.223 -0.144 0.000 2.425 128 L HA 0.134 4.474 4.340 -0.000 0.000 0.215 128 L C 2.097 178.879 176.870 -0.148 0.000 1.065 128 L CA 0.281 54.996 54.840 -0.208 0.000 0.842 128 L CB -0.332 41.641 42.059 -0.142 0.000 1.033 128 L HN 0.162 nan 8.230 nan 0.000 0.474 129 V N -0.738 119.151 119.914 -0.042 0.000 2.323 129 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 129 V C 2.303 178.393 176.094 -0.007 0.000 1.041 129 V CA 1.994 64.306 62.300 0.019 0.000 1.025 129 V CB -0.034 31.810 31.823 0.034 0.000 0.656 129 V HN 0.325 nan 8.190 nan 0.000 0.451 130 S N -0.523 115.153 115.700 -0.040 0.000 2.483 130 S HA 0.344 4.814 4.470 -0.000 0.000 0.221 130 S C 1.404 175.947 174.600 -0.095 0.000 1.030 130 S CA 0.662 58.837 58.200 -0.042 0.000 0.925 130 S CB 0.488 63.678 63.200 -0.017 0.000 0.795 130 S HN 0.566 nan 8.310 nan 0.000 0.511 131 A N 0.894 123.624 122.820 -0.149 0.000 2.610 131 A HA 0.656 4.976 4.320 -0.000 0.000 0.290 131 A C 1.527 178.946 177.584 -0.274 0.000 1.001 131 A CA 0.192 52.115 52.037 -0.189 0.000 1.004 131 A CB -0.477 18.411 19.000 -0.186 0.000 1.220 131 A HN 0.343 nan 8.150 nan 0.000 0.507 132 G N 0.914 109.448 108.800 -0.444 0.000 2.553 132 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 132 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 132 G C 1.530 176.088 174.900 -0.570 0.000 1.195 132 G CA 1.506 46.086 45.100 -0.867 0.000 0.779 132 G HN 0.796 nan 8.290 nan 0.000 0.577 133 G N 0.728 109.324 108.800 -0.340 0.000 2.446 133 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 133 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 133 G C 1.860 176.689 174.900 -0.118 0.000 1.168 133 G CA 0.942 45.975 45.100 -0.113 0.000 0.771 133 G HN 0.436 nan 8.290 nan 0.000 0.551 134 L N -0.139 121.003 121.223 -0.135 0.000 2.017 134 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 134 L C 3.164 179.966 176.870 -0.114 0.000 1.073 134 L CA 0.888 55.660 54.840 -0.113 0.000 0.745 134 L CB -0.372 41.611 42.059 -0.125 0.000 0.894 134 L HN 0.152 nan 8.230 nan 0.000 0.432 135 M N -0.552 118.957 119.600 -0.151 0.000 2.086 135 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 135 M C 2.394 178.620 176.300 -0.124 0.000 1.067 135 M CA 1.678 56.894 55.300 -0.141 0.000 1.116 135 M CB -0.818 31.678 32.600 -0.173 0.000 1.348 135 M HN 0.177 nan 8.290 nan 0.000 0.407 136 I N 0.480 120.965 120.570 -0.142 0.000 2.394 136 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 136 I C 1.836 177.904 176.117 -0.082 0.000 1.136 136 I CA 1.272 62.501 61.300 -0.118 0.000 1.425 136 I CB -1.515 36.415 38.000 -0.117 0.000 1.079 136 I HN 0.229 nan 8.210 nan 0.000 0.425 137 D N 1.225 121.582 120.400 -0.071 0.000 2.117 137 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 137 D C 2.305 178.590 176.300 -0.026 0.000 0.987 137 D CA 1.574 55.544 54.000 -0.050 0.000 0.829 137 D CB 0.008 40.779 40.800 -0.047 0.000 0.961 137 D HN 0.287 nan 8.370 nan 0.000 0.460 138 A N 0.536 123.354 122.820 -0.003 0.000 1.898 138 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 138 A C 2.529 180.183 177.584 0.118 0.000 1.181 138 A CA 1.063 53.158 52.037 0.096 0.000 0.620 138 A CB -0.721 18.308 19.000 0.049 0.000 0.819 138 A HN 0.133 nan 8.150 nan 0.000 0.442 139 V N 0.142 120.062 119.914 0.009 0.000 2.287 139 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 139 V C 2.682 178.773 176.094 -0.005 0.000 1.053 139 V CA 2.392 64.685 62.300 -0.012 0.000 1.027 139 V CB -0.797 30.982 31.823 -0.074 0.000 0.646 139 V HN 0.544 nan 8.190 nan 0.000 0.447 140 R N -0.400 120.082 120.500 -0.031 0.000 2.075 140 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 140 R C 2.393 178.661 176.300 -0.053 0.000 1.126 140 R CA 1.573 57.648 56.100 -0.042 0.000 0.963 140 R CB -0.310 29.958 30.300 -0.054 0.000 0.858 140 R HN 0.628 nan 8.270 nan 0.000 0.435 141 E N 0.314 120.467 120.200 -0.080 0.000 2.077 141 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 141 E C 0.841 177.259 176.600 -0.304 0.000 0.989 141 E CA 1.317 57.593 56.400 -0.207 0.000 0.800 141 E CB 0.112 29.636 29.700 -0.293 0.000 0.746 141 E HN 0.511 nan 8.360 nan 0.000 0.452 142 H N -1.609 117.444 119.070 -0.028 0.000 2.529 142 H HA 0.278 4.834 4.556 -0.000 0.000 0.277 142 H C 0.805 176.125 175.328 -0.012 0.000 1.004 142 H CA 0.463 56.499 56.048 -0.020 0.000 1.167 142 H CB 1.070 30.816 29.762 -0.027 0.000 1.445 142 H HN 0.337 nan 8.280 nan 0.000 0.554 143 G N 1.382 110.218 108.800 0.060 0.000 2.225 143 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 143 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 143 G C 0.303 175.236 174.900 0.054 0.000 1.024 143 G CA 0.549 45.679 45.100 0.050 0.000 0.784 143 G HN 0.398 nan 8.290 nan 0.000 0.507 144 T N 0.857 115.436 114.554 0.042 0.000 2.926 144 T HA 0.436 4.786 4.350 -0.000 0.000 0.307 144 T C 0.749 175.437 174.700 -0.020 0.000 1.059 144 T CA 0.756 62.860 62.100 0.006 0.000 1.122 144 T CB 1.090 69.941 68.868 -0.028 0.000 0.972 144 T HN 0.209 nan 8.240 nan 0.000 0.545 145 T N 3.736 118.272 114.554 -0.030 0.000 2.781 145 T HA 0.364 4.714 4.350 -0.000 0.000 0.305 145 T C -0.328 174.266 174.700 -0.176 0.000 1.001 145 T CA -0.537 61.515 62.100 -0.079 0.000 0.950 145 T CB 0.062 68.930 68.868 0.001 0.000 0.955 145 T HN 0.274 nan 8.240 nan 0.000 0.471 146 L N 5.876 126.973 121.223 -0.210 0.000 2.257 146 L HA 0.547 4.887 4.340 -0.000 0.000 0.290 146 L C -1.045 175.615 176.870 -0.351 0.000 1.044 146 L CA -0.344 54.347 54.840 -0.250 0.000 0.810 146 L CB 0.384 42.316 42.059 -0.212 0.000 1.193 146 L HN 0.557 nan 8.230 nan 0.000 0.425 147 L N 8.077 129.062 121.223 -0.397 0.000 2.319 147 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 147 L C -2.173 174.496 176.870 -0.335 0.000 1.005 147 L CA -1.823 52.687 54.840 -0.550 0.000 0.828 147 L CB 1.681 43.423 42.059 -0.528 0.000 1.227 147 L HN 0.483 nan 8.230 nan 0.000 0.415 148 P HA 0.057 nan 4.420 nan 0.000 0.271 148 P C 0.333 177.627 177.300 -0.010 0.000 1.216 148 P CA -0.190 62.855 63.100 -0.092 0.000 0.771 148 P CB 2.322 34.029 31.700 0.012 0.000 0.864 149 V N 1.499 121.429 119.914 0.028 0.000 2.949 149 V HA 0.018 4.138 4.120 -0.000 0.000 0.245 149 V C 0.783 176.915 176.094 0.063 0.000 1.086 149 V CA 0.956 63.288 62.300 0.052 0.000 1.097 149 V CB -0.670 31.173 31.823 0.032 0.000 0.762 149 V HN 0.485 nan 8.190 nan 0.000 0.470 150 D N 0.688 121.136 120.400 0.079 0.000 2.423 150 D HA 0.081 4.721 4.640 -0.000 0.000 0.238 150 D C 1.397 177.686 176.300 -0.019 0.000 1.142 150 D CA 0.427 54.438 54.000 0.018 0.000 0.884 150 D CB 1.377 42.173 40.800 -0.006 0.000 1.199 150 D HN 0.046 nan 8.370 nan 0.000 0.438 151 S N 1.963 117.616 115.700 -0.079 0.000 2.393 151 S HA -0.282 4.188 4.470 -0.000 0.000 0.235 151 S C 1.636 176.208 174.600 -0.047 0.000 1.061 151 S CA 1.687 59.813 58.200 -0.124 0.000 1.129 151 S CB -0.174 62.893 63.200 -0.221 0.000 1.011 151 S HN 0.528 nan 8.310 nan 0.000 0.436 152 E N 0.352 120.506 120.200 -0.077 0.000 2.051 152 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 152 E C 1.925 178.599 176.600 0.123 0.000 0.991 152 E CA 1.469 57.870 56.400 0.001 0.000 0.799 152 E CB -0.417 29.236 29.700 -0.078 0.000 0.748 152 E HN 0.724 nan 8.360 nan 0.000 0.449 153 H N -0.168 119.023 119.070 0.202 0.000 2.387 153 H HA -0.040 4.516 4.556 -0.000 0.000 0.299 153 H C 2.028 177.561 175.328 0.341 0.000 1.090 153 H CA 0.994 57.238 56.048 0.326 0.000 1.332 153 H CB 0.033 29.939 29.762 0.239 0.000 1.386 153 H HN 0.111 nan 8.280 nan 0.000 0.516 154 N N 1.015 119.893 118.700 0.297 0.000 2.188 154 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 154 N C 2.053 177.677 175.510 0.189 0.000 1.018 154 N CA 0.980 54.144 53.050 0.191 0.000 0.858 154 N CB -0.001 38.530 38.487 0.073 0.000 0.989 154 N HN 0.352 nan 8.380 nan 0.000 0.426 155 A N 1.554 124.485 122.820 0.185 0.000 1.877 155 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 155 A C 2.349 180.043 177.584 0.183 0.000 1.186 155 A CA 0.944 53.093 52.037 0.187 0.000 0.620 155 A CB -0.657 18.474 19.000 0.220 0.000 0.822 155 A HN 0.336 nan 8.150 nan 0.000 0.443 156 I N -1.945 118.731 120.570 0.178 0.000 2.179 156 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 156 I C 2.363 178.521 176.117 0.068 0.000 1.088 156 I CA 1.710 63.017 61.300 0.012 0.000 1.357 156 I CB -0.394 37.460 38.000 -0.243 0.000 1.051 156 I HN 0.439 nan 8.210 nan 0.000 0.409 157 F N 1.791 121.858 119.950 0.195 0.000 2.095 157 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 157 F C 2.607 178.639 175.800 0.388 0.000 1.104 157 F CA 1.812 60.076 58.000 0.440 0.000 1.232 157 F CB -0.392 38.867 39.000 0.432 0.000 0.987 157 F HN 0.071 nan 8.300 nan 0.000 0.475 158 Q N -1.355 118.726 119.800 0.469 0.000 2.364 158 Q HA -0.162 4.178 4.340 -0.000 0.000 0.209 158 Q C 1.680 177.823 176.000 0.238 0.000 0.977 158 Q CA 1.259 57.276 55.803 0.357 0.000 0.885 158 Q CB -0.265 28.587 28.738 0.190 0.000 0.941 158 Q HN 0.445 nan 8.270 nan 0.000 0.464 159 C N -0.654 118.752 119.300 0.177 0.000 3.183 159 C HA 0.289 4.749 4.460 -0.000 0.000 0.285 159 C C 0.271 175.335 174.990 0.124 0.000 1.313 159 C CA -0.915 58.191 59.018 0.146 0.000 1.711 159 C CB -0.785 27.031 27.740 0.127 0.000 2.135 159 C HN 0.264 nan 8.230 nan 0.000 0.651 160 F N 4.270 124.103 119.950 -0.195 0.000 2.394 160 F HA 0.440 4.967 4.527 -0.000 0.000 0.340 160 F C -2.022 173.468 175.800 -0.516 0.000 1.105 160 F CA -2.359 55.402 58.000 -0.399 0.000 1.124 160 F CB 1.102 39.803 39.000 -0.498 0.000 1.145 160 F HN -0.037 nan 8.300 nan 0.000 0.505 161 P HA 0.069 nan 4.420 nan 0.000 0.256 161 P C -1.003 176.131 177.300 -0.277 0.000 1.689 161 P CA -0.128 62.755 63.100 -0.362 0.000 1.124 161 P CB -0.107 31.495 31.700 -0.164 0.000 1.766 162 H N 2.528 121.754 119.070 0.259 0.000 2.928 162 H HA -0.021 4.535 4.556 -0.000 0.000 0.338 162 H C 0.932 176.513 175.328 0.421 0.000 1.047 162 H CA 0.735 57.017 56.048 0.389 0.000 1.435 162 H CB 0.195 30.195 29.762 0.398 0.000 1.428 162 H HN 0.598 nan 8.280 nan 0.000 0.590 163 H N -0.242 118.944 119.070 0.193 0.000 3.642 163 H HA -0.153 4.403 4.556 -0.000 0.000 0.185 163 H C -0.294 174.984 175.328 -0.083 0.000 0.992 163 H CA 0.994 57.082 56.048 0.067 0.000 1.216 163 H CB -1.253 28.560 29.762 0.085 0.000 1.055 163 H HN 0.646 nan 8.280 nan 0.000 0.351 164 N N 0.099 118.740 118.700 -0.098 0.000 2.639 164 N HA 0.148 4.888 4.740 -0.000 0.000 0.265 164 N C 0.509 175.743 175.510 -0.459 0.000 1.689 164 N CA -0.216 52.556 53.050 -0.464 0.000 0.813 164 N CB 0.690 38.614 38.487 -0.938 0.000 1.353 164 N HN 0.293 nan 8.380 nan 0.000 0.510 165 R N -0.068 120.299 120.500 -0.222 0.000 2.159 165 R HA -0.083 4.257 4.340 -0.000 0.000 0.237 165 R C 0.330 176.516 176.300 -0.191 0.000 1.131 165 R CA 1.083 57.088 56.100 -0.157 0.000 0.982 165 R CB 0.075 30.417 30.300 0.071 0.000 0.868 165 R HN 0.129 nan 8.270 nan 0.000 0.453 166 D N -0.282 120.011 120.400 -0.178 0.000 2.351 166 D HA -0.137 4.503 4.640 -0.000 0.000 0.216 166 D C 1.098 177.412 176.300 0.022 0.000 0.968 166 D CA 0.922 54.873 54.000 -0.081 0.000 0.899 166 D CB -0.076 40.691 40.800 -0.055 0.000 0.907 166 D HN 0.249 nan 8.370 nan 0.000 0.514 167 Y N 0.284 120.470 120.300 -0.189 0.000 2.516 167 Y HA 0.073 4.623 4.550 -0.000 0.000 0.291 167 Y C 0.942 176.623 175.900 -0.364 0.000 1.131 167 Y CA -0.454 57.525 58.100 -0.203 0.000 1.281 167 Y CB -0.503 37.865 38.460 -0.154 0.000 1.013 167 Y HN -0.218 nan 8.280 nan 0.000 0.554 168 V N 1.853 121.580 119.914 -0.311 0.000 2.530 168 V HA 0.103 4.222 4.120 -0.000 0.000 0.282 168 V C 1.332 177.290 176.094 -0.227 0.000 1.048 168 V CA -0.119 61.927 62.300 -0.423 0.000 0.997 168 V CB 1.613 33.155 31.823 -0.469 0.000 0.987 168 V HN 0.162 nan 8.190 nan 0.000 0.477 169 R N 4.062 124.442 120.500 -0.201 0.000 2.146 169 R HA 0.219 4.559 4.340 -0.000 0.000 0.206 169 R C 0.627 176.851 176.300 -0.126 0.000 1.049 169 R CA 0.355 56.384 56.100 -0.119 0.000 1.029 169 R CB 0.412 30.665 30.300 -0.079 0.000 0.949 169 R HN 0.850 nan 8.270 nan 0.000 0.471 170 R N -0.594 119.808 120.500 -0.165 0.000 2.664 170 R HA 0.351 4.690 4.340 -0.000 0.000 0.266 170 R C -1.587 174.589 176.300 -0.207 0.000 1.046 170 R CA -0.789 55.209 56.100 -0.169 0.000 0.885 170 R CB 0.819 31.065 30.300 -0.091 0.000 1.254 170 R HN -0.040 nan 8.270 nan 0.000 0.465 171 I N 2.880 123.293 120.570 -0.261 0.000 2.406 171 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 171 I C -0.419 175.674 176.117 -0.041 0.000 0.999 171 I CA -1.085 60.088 61.300 -0.211 0.000 1.124 171 I CB 2.019 39.782 38.000 -0.394 0.000 1.289 171 I HN 0.470 nan 8.210 nan 0.000 0.441 172 I N 7.199 127.778 120.570 0.014 0.000 2.330 172 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 172 I C -0.241 175.948 176.117 0.121 0.000 1.001 172 I CA -0.439 60.905 61.300 0.073 0.000 1.193 172 I CB 1.203 39.226 38.000 0.039 0.000 1.345 172 I HN 0.350 nan 8.210 nan 0.000 0.461 173 I N 6.238 126.910 120.570 0.170 0.000 2.297 173 I HA 0.165 4.335 4.170 -0.000 0.000 0.291 173 I C 0.750 176.952 176.117 0.142 0.000 1.033 173 I CA -0.375 61.028 61.300 0.172 0.000 1.253 173 I CB 1.174 39.295 38.000 0.202 0.000 1.396 173 I HN 0.592 nan 8.210 nan 0.000 0.476 174 T N 3.220 117.863 114.554 0.148 0.000 2.899 174 T HA 0.698 5.048 4.350 -0.000 0.000 0.295 174 T C -0.106 174.667 174.700 0.120 0.000 1.033 174 T CA -0.760 61.441 62.100 0.169 0.000 1.084 174 T CB 1.762 70.773 68.868 0.239 0.000 0.979 174 T HN 0.684 nan 8.240 nan 0.000 0.532 175 A N 1.297 124.175 122.820 0.096 0.000 2.427 175 A HA 0.622 4.941 4.320 -0.000 0.000 0.298 175 A C 1.063 178.633 177.584 -0.024 0.000 1.036 175 A CA -0.334 51.711 52.037 0.014 0.000 0.701 175 A CB 1.373 20.353 19.000 -0.034 0.000 1.250 175 A HN 1.105 nan 8.150 nan 0.000 0.412 176 S N 1.540 117.200 115.700 -0.066 0.000 2.419 176 S HA 0.247 4.717 4.470 -0.000 0.000 0.233 176 S C 1.554 176.074 174.600 -0.132 0.000 1.016 176 S CA 1.672 59.802 58.200 -0.117 0.000 0.974 176 S CB -0.146 62.984 63.200 -0.117 0.000 0.786 176 S HN 2.739 nan 8.310 nan 0.000 0.492 177 G N 0.356 109.063 108.800 -0.155 0.000 2.213 177 G HA2 0.257 4.217 3.960 -0.000 0.000 0.226 177 G HA3 0.257 4.217 3.960 -0.000 0.000 0.226 177 G C 1.139 175.885 174.900 -0.256 0.000 0.992 177 G CA 0.218 45.186 45.100 -0.220 0.000 0.632 177 G HN 1.923 nan 8.290 nan 0.000 0.511 178 G N -0.027 108.656 108.800 -0.195 0.000 2.828 178 G HA2 0.184 4.144 3.960 -0.000 0.000 0.463 178 G HA3 0.184 4.144 3.960 -0.000 0.000 0.463 178 G C -0.664 174.101 174.900 -0.225 0.000 1.394 178 G CA 0.316 45.294 45.100 -0.204 0.000 0.862 178 G HN 0.899 nan 8.290 nan 0.000 0.540 179 P HA 0.029 nan 4.420 nan 0.000 0.225 179 P C 0.855 177.945 177.300 -0.351 0.000 1.148 179 P CA 1.341 64.163 63.100 -0.463 0.000 0.779 179 P CB -0.041 31.213 31.700 -0.745 0.000 0.780 180 F N -0.569 119.401 119.950 0.034 0.000 2.684 180 F HA 0.384 4.911 4.527 -0.000 0.000 0.298 180 F C 2.209 178.138 175.800 0.216 0.000 1.120 180 F CA -1.216 56.849 58.000 0.108 0.000 1.332 180 F CB -0.847 38.241 39.000 0.147 0.000 0.986 180 F HN -0.207 nan 8.300 nan 0.000 0.524 181 R N 0.905 121.527 120.500 0.204 0.000 2.139 181 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 181 R C 1.219 177.634 176.300 0.192 0.000 1.145 181 R CA 2.079 58.263 56.100 0.141 0.000 0.976 181 R CB -0.218 30.081 30.300 -0.000 0.000 0.866 181 R HN 0.333 nan 8.270 nan 0.000 0.449 182 T N -2.624 112.027 114.554 0.161 0.000 3.266 182 T HA 0.232 4.581 4.350 -0.000 0.000 0.278 182 T C -0.278 174.493 174.700 0.118 0.000 1.010 182 T CA -0.610 61.562 62.100 0.120 0.000 0.909 182 T CB 0.783 69.694 68.868 0.072 0.000 1.122 182 T HN -0.077 nan 8.240 nan 0.000 0.536 183 T N 3.016 117.669 114.554 0.166 0.000 2.824 183 T HA 0.578 4.928 4.350 -0.000 0.000 0.280 183 T C 0.391 175.098 174.700 0.012 0.000 0.995 183 T CA -0.622 61.528 62.100 0.083 0.000 1.009 183 T CB 1.546 70.465 68.868 0.085 0.000 0.955 183 T HN 0.550 nan 8.240 nan 0.000 0.452 184 S N 2.896 118.576 115.700 -0.034 0.000 2.593 184 S HA 0.266 4.736 4.470 -0.000 0.000 0.269 184 S C 1.511 176.041 174.600 -0.116 0.000 1.334 184 S CA -0.843 57.321 58.200 -0.060 0.000 1.015 184 S CB 0.273 63.446 63.200 -0.045 0.000 0.912 184 S HN 0.626 nan 8.310 nan 0.000 0.541 185 L N 1.407 122.556 121.223 -0.123 0.000 2.127 185 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 185 L C 2.979 179.781 176.870 -0.112 0.000 1.089 185 L CA 1.561 56.317 54.840 -0.141 0.000 0.757 185 L CB -1.083 40.901 42.059 -0.124 0.000 0.899 185 L HN 0.966 nan 8.230 nan 0.000 0.434 186 A N 0.043 122.811 122.820 -0.087 0.000 1.877 186 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 186 A C 2.161 179.693 177.584 -0.086 0.000 1.186 186 A CA 1.754 53.749 52.037 -0.070 0.000 0.620 186 A CB -0.389 18.581 19.000 -0.050 0.000 0.822 186 A HN 0.475 nan 8.150 nan 0.000 0.443 187 E N -0.935 119.200 120.200 -0.109 0.000 2.216 187 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 187 E C 2.022 178.482 176.600 -0.233 0.000 0.988 187 E CA 0.656 56.976 56.400 -0.134 0.000 0.834 187 E CB -0.200 29.432 29.700 -0.113 0.000 0.772 187 E HN 0.619 nan 8.360 nan 0.000 0.479 188 M N 0.595 120.012 119.600 -0.305 0.000 2.175 188 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 188 M C 2.493 178.654 176.300 -0.232 0.000 1.063 188 M CA 1.114 56.121 55.300 -0.487 0.000 1.119 188 M CB -0.244 32.119 32.600 -0.395 0.000 1.377 188 M HN 0.121 nan 8.290 nan 0.000 0.415 189 A N 0.080 122.837 122.820 -0.104 0.000 1.997 189 A HA -0.187 4.133 4.320 -0.000 0.000 0.221 189 A C 1.937 179.527 177.584 0.011 0.000 1.172 189 A CA 2.285 54.311 52.037 -0.018 0.000 0.645 189 A CB -1.047 17.938 19.000 -0.025 0.000 0.813 189 A HN 0.625 nan 8.150 nan 0.000 0.454 190 T N -2.333 112.201 114.554 -0.034 0.000 3.129 190 T HA 0.412 4.762 4.350 -0.000 0.000 0.267 190 T C 0.280 174.985 174.700 0.009 0.000 1.018 190 T CA 0.197 62.300 62.100 0.005 0.000 0.903 190 T CB -0.962 67.901 68.868 -0.008 0.000 1.067 190 T HN 0.656 nan 8.240 nan 0.000 0.549 191 V N 1.674 121.557 119.914 -0.051 0.000 2.843 191 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 191 V C 0.596 176.805 176.094 0.192 0.000 1.065 191 V CA -0.542 61.745 62.300 -0.022 0.000 1.116 191 V CB 0.105 31.771 31.823 -0.260 0.000 0.968 191 V HN 0.547 nan 8.190 nan 0.000 0.487 192 T N 1.230 115.881 114.554 0.162 0.000 2.874 192 T HA 0.487 4.837 4.350 -0.000 0.000 0.281 192 T C -1.751 173.060 174.700 0.184 0.000 0.994 192 T CA -1.661 60.517 62.100 0.129 0.000 1.015 192 T CB 1.339 70.233 68.868 0.043 0.000 1.028 192 T HN 0.530 nan 8.240 nan 0.000 0.523 193 P HA -0.058 nan 4.420 nan 0.000 0.216 193 P C 1.179 178.518 177.300 0.066 0.000 1.150 193 P CA 0.993 64.012 63.100 -0.135 0.000 0.837 193 P CB 0.046 31.481 31.700 -0.441 0.000 0.786 194 E N -0.862 119.350 120.200 0.020 0.000 2.110 194 E HA -0.195 4.154 4.350 -0.000 0.000 0.193 194 E C 2.104 178.739 176.600 0.059 0.000 0.988 194 E CA 1.020 57.438 56.400 0.030 0.000 0.804 194 E CB -0.522 29.183 29.700 0.009 0.000 0.745 194 E HN 0.072 nan 8.360 nan 0.000 0.458 195 R N 0.727 121.284 120.500 0.096 0.000 2.090 195 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 195 R C 1.949 178.322 176.300 0.122 0.000 1.110 195 R CA 1.477 57.645 56.100 0.113 0.000 0.973 195 R CB -0.549 29.840 30.300 0.148 0.000 0.869 195 R HN 0.158 nan 8.270 nan 0.000 0.440 196 A N 0.262 123.208 122.820 0.211 0.000 1.930 196 A HA -0.056 4.263 4.320 -0.000 0.000 0.217 196 A C 2.138 179.739 177.584 0.028 0.000 1.175 196 A CA 1.595 53.716 52.037 0.140 0.000 0.627 196 A CB -0.637 18.609 19.000 0.410 0.000 0.815 196 A HN 0.307 nan 8.150 nan 0.000 0.443 197 V N -2.253 117.714 119.914 0.089 0.000 3.052 197 V HA -0.014 4.106 4.120 -0.000 0.000 0.254 197 V C 1.245 177.335 176.094 -0.006 0.000 1.100 197 V CA 0.871 63.198 62.300 0.045 0.000 1.112 197 V CB -1.298 30.564 31.823 0.065 0.000 0.738 197 V HN 0.627 nan 8.190 nan 0.000 0.469 206 A N 1.372 124.211 122.820 0.033 0.000 1.898 206 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 206 A C 2.311 179.940 177.584 0.076 0.000 1.181 206 A CA 2.418 54.487 52.037 0.055 0.000 0.620 206 A CB -0.378 18.657 19.000 0.058 0.000 0.819 206 A HN 0.946 nan 8.150 nan 0.000 0.442 207 K N 0.517 120.958 120.400 0.068 0.000 2.015 207 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 207 K C 1.576 178.215 176.600 0.065 0.000 1.052 207 K CA 2.196 58.527 56.287 0.074 0.000 0.937 207 K CB -0.612 31.921 32.500 0.054 0.000 0.719 207 K HN 0.347 nan 8.250 nan 0.000 0.446 208 I N 1.017 121.613 120.570 0.044 0.000 2.208 208 I HA -0.225 3.944 4.170 -0.000 0.000 0.245 208 I C 2.177 178.312 176.117 0.030 0.000 1.097 208 I CA 1.472 62.791 61.300 0.031 0.000 1.363 208 I CB -1.327 36.683 38.000 0.016 0.000 1.051 208 I HN 0.187 nan 8.210 nan 0.000 0.413 209 S N 0.966 116.687 115.700 0.034 0.000 2.370 209 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 209 S C 2.018 176.653 174.600 0.059 0.000 1.033 209 S CA 1.007 59.222 58.200 0.026 0.000 1.011 209 S CB -0.128 63.088 63.200 0.026 0.000 0.852 209 S HN 0.279 nan 8.310 nan 0.000 0.457 210 I N 2.156 122.798 120.570 0.120 0.000 2.315 210 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 210 I C 1.820 178.022 176.117 0.143 0.000 1.117 210 I CA 1.261 62.679 61.300 0.196 0.000 1.404 210 I CB -1.423 36.725 38.000 0.247 0.000 1.071 210 I HN 0.185 nan 8.210 nan 0.000 0.419 211 D N 0.237 120.687 120.400 0.083 0.000 2.178 211 D HA -0.147 4.492 4.640 -0.000 0.000 0.201 211 D C 2.361 178.685 176.300 0.039 0.000 0.980 211 D CA 1.245 55.276 54.000 0.052 0.000 0.842 211 D CB -0.015 40.806 40.800 0.035 0.000 0.948 211 D HN 0.178 nan 8.370 nan 0.000 0.472 212 S N -0.348 115.365 115.700 0.022 0.000 2.387 212 S HA -0.045 4.425 4.470 -0.000 0.000 0.226 212 S C 1.972 176.558 174.600 -0.023 0.000 1.026 212 S CA 1.141 59.325 58.200 -0.026 0.000 0.972 212 S CB -0.012 63.157 63.200 -0.052 0.000 0.814 212 S HN 0.234 nan 8.310 nan 0.000 0.477 213 A N 0.805 123.659 122.820 0.057 0.000 1.898 213 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 213 A C 2.373 180.269 177.584 0.520 0.000 1.181 213 A CA 2.105 54.242 52.037 0.167 0.000 0.620 213 A CB -1.317 17.813 19.000 0.218 0.000 0.819 213 A HN 0.731 nan 8.150 nan 0.000 0.442 214 T N -4.874 109.913 114.554 0.388 0.000 3.081 214 T HA 0.217 4.567 4.350 -0.000 0.000 0.255 214 T C 0.903 175.742 174.700 0.232 0.000 1.113 214 T CA 0.843 63.130 62.100 0.310 0.000 1.082 214 T CB -0.357 68.507 68.868 -0.007 0.000 0.939 214 T HN 0.463 nan 8.240 nan 0.000 0.506 215 M N -1.567 118.068 119.600 0.058 0.000 2.943 215 M HA -0.201 4.279 4.480 -0.000 0.000 0.198 215 M C 1.059 177.359 176.300 0.000 0.000 0.606 215 M CA 0.809 56.073 55.300 -0.060 0.000 0.744 215 M CB -1.669 30.813 32.600 -0.197 0.000 2.671 215 M HN 0.420 nan 8.290 nan 0.000 0.342 216 M N 2.212 121.828 119.600 0.027 0.000 2.229 216 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 216 M C 1.722 178.034 176.300 0.020 0.000 1.063 216 M CA 2.768 58.084 55.300 0.025 0.000 1.114 216 M CB -0.395 32.217 32.600 0.019 0.000 1.387 216 M HN 0.521 nan 8.290 nan 0.000 0.420 217 N N -0.127 118.579 118.700 0.011 0.000 2.149 217 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 217 N C 1.265 176.781 175.510 0.010 0.000 1.019 217 N CA 1.577 54.633 53.050 0.009 0.000 0.857 217 N CB -0.779 37.705 38.487 -0.006 0.000 0.997 217 N HN 0.319 nan 8.380 nan 0.000 0.426 218 K N 0.396 120.795 120.400 -0.002 0.000 2.155 218 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 218 K C 2.174 178.795 176.600 0.034 0.000 1.052 218 K CA 1.097 57.390 56.287 0.010 0.000 0.948 218 K CB -0.938 31.553 32.500 -0.014 0.000 0.728 218 K HN 0.453 nan 8.250 nan 0.000 0.448 219 G N 1.355 110.175 108.800 0.033 0.000 2.402 219 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 219 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 219 G C 1.677 176.597 174.900 0.034 0.000 1.162 219 G CA 0.378 45.500 45.100 0.037 0.000 0.777 219 G HN 0.152 nan 8.290 nan 0.000 0.539 220 L N -0.033 121.216 121.223 0.044 0.000 2.056 220 L HA -0.018 4.321 4.340 -0.000 0.000 0.207 220 L C 2.870 179.803 176.870 0.106 0.000 1.078 220 L CA 1.133 56.011 54.840 0.062 0.000 0.749 220 L CB -0.413 41.682 42.059 0.059 0.000 0.901 220 L HN 0.268 nan 8.230 nan 0.000 0.433 221 E N 0.042 120.312 120.200 0.118 0.000 2.110 221 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 221 E C 2.078 178.833 176.600 0.259 0.000 0.988 221 E CA 1.135 57.675 56.400 0.232 0.000 0.804 221 E CB -0.158 29.586 29.700 0.073 0.000 0.745 221 E HN 0.249 nan 8.360 nan 0.000 0.458 222 L N 1.217 122.494 121.223 0.090 0.000 2.012 222 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 222 L C 2.040 178.823 176.870 -0.145 0.000 1.073 222 L CA 1.653 56.453 54.840 -0.066 0.000 0.748 222 L CB -0.327 41.681 42.059 -0.086 0.000 0.891 222 L HN 0.113 nan 8.230 nan 0.000 0.431 223 I N -0.475 120.068 120.570 -0.044 0.000 2.208 223 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 223 I C 2.427 178.604 176.117 0.099 0.000 1.097 223 I CA 1.652 62.953 61.300 0.001 0.000 1.363 223 I CB -0.476 37.557 38.000 0.055 0.000 1.051 223 I HN 0.381 nan 8.210 nan 0.000 0.413 224 E N 0.947 121.202 120.200 0.091 0.000 2.077 224 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 224 E C 2.361 178.865 176.600 -0.161 0.000 0.989 224 E CA 1.254 57.644 56.400 -0.015 0.000 0.800 224 E CB -0.202 29.437 29.700 -0.101 0.000 0.746 224 E HN 0.524 nan 8.360 nan 0.000 0.452 225 A N 1.067 123.853 122.820 -0.056 0.000 1.933 225 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 225 A C 1.957 179.672 177.584 0.218 0.000 1.175 225 A CA 0.992 53.137 52.037 0.180 0.000 0.628 225 A CB -0.670 18.635 19.000 0.508 0.000 0.814 225 A HN 0.338 nan 8.150 nan 0.000 0.444 226 F N 0.523 120.326 119.950 -0.244 0.000 2.134 226 F HA -0.208 4.318 4.527 -0.000 0.000 0.299 226 F C 2.386 178.082 175.800 -0.172 0.000 1.097 226 F CA 2.115 59.974 58.000 -0.234 0.000 1.264 226 F CB -0.404 38.315 39.000 -0.467 0.000 1.001 226 F HN 0.387 nan 8.300 nan 0.000 0.479 227 H N -0.035 118.891 119.070 -0.240 0.000 2.395 227 H HA -0.001 4.555 4.556 -0.000 0.000 0.299 227 H C 2.515 177.610 175.328 -0.389 0.000 1.070 227 H CA 1.682 57.512 56.048 -0.364 0.000 1.356 227 H CB -0.522 29.107 29.762 -0.223 0.000 1.401 227 H HN 0.325 nan 8.280 nan 0.000 0.524 228 L N -0.329 120.682 121.223 -0.354 0.000 2.056 228 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 228 L C 1.673 178.004 176.870 -0.899 0.000 1.078 228 L CA 1.248 55.648 54.840 -0.733 0.000 0.749 228 L CB -0.232 41.113 42.059 -1.190 0.000 0.901 228 L HN 0.128 nan 8.230 nan 0.000 0.433 229 F N -1.709 118.128 119.950 -0.188 0.000 2.731 229 F HA 0.134 4.661 4.527 -0.000 0.000 0.298 229 F C 0.761 176.482 175.800 -0.132 0.000 1.106 229 F CA -0.534 57.264 58.000 -0.337 0.000 1.329 229 F CB 0.006 38.738 39.000 -0.446 0.000 1.100 229 F HN -0.036 nan 8.300 nan 0.000 0.592 230 Q N 1.369 121.143 119.800 -0.042 0.000 2.451 230 Q HA -0.209 4.131 4.340 -0.000 0.000 0.305 230 Q C -0.280 175.759 176.000 0.064 0.000 1.345 230 Q CA 0.915 56.657 55.803 -0.101 0.000 0.854 230 Q CB -2.438 26.246 28.738 -0.091 0.000 1.162 230 Q HN 0.719 nan 8.270 nan 0.000 0.440 231 I N -4.311 116.384 120.570 0.208 0.000 2.740 231 I HA 0.703 4.873 4.170 -0.000 0.000 0.303 231 I C -2.375 173.966 176.117 0.374 0.000 1.044 231 I CA -3.085 58.345 61.300 0.216 0.000 1.064 231 I CB 2.096 40.171 38.000 0.124 0.000 1.249 231 I HN -0.285 nan 8.210 nan 0.000 0.433 232 P HA 0.083 nan 4.420 nan 0.000 0.263 232 P C 0.773 178.300 177.300 0.378 0.000 1.175 232 P CA 0.099 63.377 63.100 0.296 0.000 0.761 232 P CB 0.574 32.363 31.700 0.148 0.000 0.794 233 L N 2.651 124.055 121.223 0.301 0.000 2.081 233 L HA -0.239 4.100 4.340 -0.000 0.000 0.212 233 L C 2.197 179.224 176.870 0.262 0.000 1.080 233 L CA 1.532 56.504 54.840 0.219 0.000 0.754 233 L CB -0.716 41.240 42.059 -0.172 0.000 0.893 233 L HN 0.506 nan 8.230 nan 0.000 0.433 234 E N 0.453 120.737 120.200 0.141 0.000 2.401 234 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 234 E C 1.485 178.144 176.600 0.097 0.000 1.023 234 E CA 0.942 57.399 56.400 0.095 0.000 0.859 234 E CB -0.332 29.396 29.700 0.047 0.000 0.780 234 E HN 0.525 nan 8.360 nan 0.000 0.523 235 K N 0.009 120.469 120.400 0.100 0.000 2.426 235 K HA 0.134 4.454 4.320 -0.000 0.000 0.193 235 K C -0.072 176.465 176.600 -0.104 0.000 1.028 235 K CA -0.062 56.203 56.287 -0.036 0.000 1.047 235 K CB 0.088 32.512 32.500 -0.126 0.000 0.821 235 K HN 0.012 nan 8.250 nan 0.000 0.513 236 F N 1.712 121.700 119.950 0.064 0.000 2.385 236 F HA 0.200 4.727 4.527 -0.000 0.000 0.336 236 F C 0.398 176.241 175.800 0.070 0.000 1.100 236 F CA -0.381 57.665 58.000 0.077 0.000 1.116 236 F CB 1.050 40.109 39.000 0.098 0.000 1.166 236 F HN -0.168 nan 8.300 nan 0.000 0.511 237 E N 2.934 123.287 120.200 0.254 0.000 2.340 237 E HA 0.522 4.871 4.350 -0.000 0.000 0.273 237 E C -1.218 175.500 176.600 0.197 0.000 0.891 237 E CA -0.783 55.731 56.400 0.191 0.000 0.757 237 E CB 2.968 32.738 29.700 0.116 0.000 1.231 237 E HN 0.411 nan 8.360 nan 0.000 0.439 238 I N 2.861 123.543 120.570 0.186 0.000 2.378 238 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 238 I C -1.058 175.127 176.117 0.113 0.000 0.992 238 I CA -0.855 60.530 61.300 0.142 0.000 1.154 238 I CB 1.137 39.203 38.000 0.110 0.000 1.315 238 I HN 0.203 nan 8.210 nan 0.000 0.448 239 L N 8.079 129.370 121.223 0.113 0.000 2.349 239 L HA 0.500 4.839 4.340 -0.000 0.000 0.278 239 L C -0.610 176.345 176.870 0.141 0.000 0.996 239 L CA -0.482 54.438 54.840 0.132 0.000 0.825 239 L CB 1.786 43.939 42.059 0.156 0.000 1.243 239 L HN 0.258 nan 8.230 nan 0.000 0.412 240 V N 4.785 124.764 119.914 0.108 0.000 2.555 240 V HA 0.217 4.337 4.120 -0.000 0.000 0.286 240 V C -0.606 175.577 176.094 0.148 0.000 1.044 240 V CA -0.119 62.224 62.300 0.072 0.000 1.026 240 V CB 0.655 32.482 31.823 0.005 0.000 0.981 240 V HN 0.872 nan 8.190 nan 0.000 0.480 241 H N 6.740 125.789 119.070 -0.034 0.000 2.852 241 H HA 0.384 4.940 4.556 -0.000 0.000 0.274 241 H C -2.414 172.823 175.328 -0.152 0.000 1.321 241 H CA -1.780 54.177 56.048 -0.153 0.000 1.582 241 H CB 1.872 31.596 29.762 -0.064 0.000 1.699 241 H HN 0.298 nan 8.280 nan 0.000 0.546 242 P HA -0.259 nan 4.420 nan 0.000 0.219 242 P C 1.105 178.161 177.300 -0.407 0.000 1.158 242 P CA 1.710 64.627 63.100 -0.303 0.000 0.895 242 P CB 0.436 32.011 31.700 -0.208 0.000 0.792 243 Q N -1.466 117.965 119.800 -0.615 0.000 2.291 243 Q HA 0.008 4.347 4.340 -0.000 0.000 0.205 243 Q C 0.991 176.732 176.000 -0.432 0.000 0.970 243 Q CA 1.018 56.537 55.803 -0.473 0.000 0.876 243 Q CB -0.778 27.743 28.738 -0.362 0.000 0.935 243 Q HN 0.051 nan 8.270 nan 0.000 0.455 244 S N -1.335 113.972 115.700 -0.655 0.000 3.587 244 S HA -0.163 4.307 4.470 -0.000 0.000 0.337 244 S C 0.933 175.565 174.600 0.052 0.000 1.119 244 S CA 0.583 58.685 58.200 -0.162 0.000 0.976 244 S CB -1.942 61.223 63.200 -0.057 0.000 0.922 244 S HN 0.454 nan 8.310 nan 0.000 0.503 245 V N -2.179 117.780 119.914 0.076 0.000 2.685 245 V HA 0.327 4.447 4.120 -0.000 0.000 0.244 245 V C 0.973 176.925 176.094 -0.236 0.000 1.054 245 V CA 0.612 62.889 62.300 -0.038 0.000 1.076 245 V CB -0.184 31.618 31.823 -0.034 0.000 0.725 245 V HN 0.550 nan 8.190 nan 0.000 0.467 246 I N 1.580 122.206 120.570 0.094 0.000 2.379 246 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 246 I C 1.150 177.295 176.117 0.047 0.000 1.063 246 I CA 0.114 61.390 61.300 -0.040 0.000 1.351 246 I CB 0.661 38.633 38.000 -0.047 0.000 1.410 246 I HN 0.303 nan 8.210 nan 0.000 0.505 247 H N 3.303 122.454 119.070 0.136 0.000 2.551 247 H HA 0.225 4.781 4.556 -0.000 0.000 0.266 247 H C 0.154 175.543 175.328 0.103 0.000 0.977 247 H CA -0.163 55.952 56.048 0.112 0.000 1.163 247 H CB 0.450 30.263 29.762 0.085 0.000 1.381 247 H HN 0.619 nan 8.280 nan 0.000 0.581 248 S N -0.568 115.245 115.700 0.188 0.000 2.716 248 S HA 0.184 4.654 4.470 -0.000 0.000 0.277 248 S C -1.504 173.154 174.600 0.096 0.000 0.874 248 S CA -0.875 57.408 58.200 0.140 0.000 1.049 248 S CB 0.617 63.906 63.200 0.149 0.000 1.319 248 S HN 0.160 nan 8.310 nan 0.000 0.457 249 M N 1.140 120.778 119.600 0.063 0.000 2.622 249 M HA 0.731 5.210 4.480 -0.000 0.000 0.276 249 M C -1.598 174.702 176.300 0.001 0.000 1.265 249 M CA -0.869 54.452 55.300 0.035 0.000 0.850 249 M CB 2.218 34.825 32.600 0.011 0.000 1.720 249 M HN 0.360 nan 8.290 nan 0.000 0.465 250 V N 0.577 120.494 119.914 0.005 0.000 2.623 250 V HA 0.388 4.507 4.120 -0.000 0.000 0.304 250 V C -0.950 175.140 176.094 -0.005 0.000 1.054 250 V CA -0.613 61.650 62.300 -0.061 0.000 0.882 250 V CB 1.926 33.683 31.823 -0.110 0.000 1.002 250 V HN 0.839 nan 8.190 nan 0.000 0.424 251 E N 3.059 123.213 120.200 -0.078 0.000 2.175 251 E HA 0.516 4.866 4.350 -0.000 0.000 0.278 251 E C -1.559 175.000 176.600 -0.069 0.000 0.969 251 E CA -0.495 55.906 56.400 0.002 0.000 0.796 251 E CB 1.223 30.903 29.700 -0.033 0.000 1.104 251 E HN 0.585 nan 8.360 nan 0.000 0.395 252 Y N 2.594 122.827 120.300 -0.110 0.000 2.432 252 Y HA 0.149 4.699 4.550 -0.000 0.000 0.322 252 Y C 1.373 177.210 175.900 -0.104 0.000 1.246 252 Y CA -0.600 57.430 58.100 -0.117 0.000 1.268 252 Y CB 0.766 39.142 38.460 -0.140 0.000 1.276 252 Y HN 0.549 nan 8.280 nan 0.000 0.499 253 L N 0.458 121.701 121.223 0.034 0.000 2.261 253 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 253 L C 1.175 178.032 176.870 -0.020 0.000 1.114 253 L CA 1.649 56.483 54.840 -0.011 0.000 0.777 253 L CB -0.453 41.592 42.059 -0.023 0.000 0.910 253 L HN 0.715 nan 8.230 nan 0.000 0.440 254 D N -0.965 119.423 120.400 -0.020 0.000 2.340 254 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 254 D C 1.491 177.769 176.300 -0.036 0.000 1.039 254 D CA 0.794 54.766 54.000 -0.047 0.000 0.866 254 D CB 0.260 41.009 40.800 -0.086 0.000 0.913 254 D HN 0.262 nan 8.370 nan 0.000 0.523 255 G N -0.287 108.506 108.800 -0.013 0.000 2.213 255 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 255 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 255 G C 0.353 175.243 174.900 -0.017 0.000 0.991 255 G CA 0.192 45.281 45.100 -0.019 0.000 0.629 255 G HN 0.628 nan 8.290 nan 0.000 0.517 256 S N 0.496 116.185 115.700 -0.019 0.000 2.531 256 S HA 0.595 5.065 4.470 -0.000 0.000 0.279 256 S C 0.412 175.026 174.600 0.024 0.000 1.305 256 S CA -0.323 57.849 58.200 -0.047 0.000 1.058 256 S CB 0.103 63.213 63.200 -0.149 0.000 0.899 256 S HN 0.465 nan 8.310 nan 0.000 0.493 257 I N 5.773 126.341 120.570 -0.003 0.000 2.355 257 I HA 0.339 4.508 4.170 -0.000 0.000 0.288 257 I C -0.484 175.643 176.117 0.017 0.000 0.999 257 I CA -0.543 60.774 61.300 0.028 0.000 1.163 257 I CB 1.359 39.347 38.000 -0.019 0.000 1.316 257 I HN 0.444 nan 8.210 nan 0.000 0.454 258 L N 6.219 127.487 121.223 0.075 0.000 2.295 258 L HA 0.768 5.108 4.340 -0.000 0.000 0.285 258 L C 0.126 177.033 176.870 0.061 0.000 1.035 258 L CA -0.409 54.463 54.840 0.053 0.000 0.806 258 L CB 1.556 43.666 42.059 0.085 0.000 1.214 258 L HN 0.661 nan 8.230 nan 0.000 0.426 259 A N 3.396 126.243 122.820 0.046 0.000 2.413 259 A HA 0.630 4.949 4.320 -0.000 0.000 0.307 259 A C -1.165 176.464 177.584 0.074 0.000 1.087 259 A CA -0.555 51.514 52.037 0.053 0.000 0.750 259 A CB 2.132 21.149 19.000 0.029 0.000 1.296 259 A HN 0.590 nan 8.150 nan 0.000 0.423 260 Q N 1.661 121.515 119.800 0.090 0.000 2.333 260 Q HA 0.635 4.975 4.340 -0.000 0.000 0.265 260 Q C -1.528 174.502 176.000 0.049 0.000 0.989 260 Q CA -0.150 55.720 55.803 0.113 0.000 0.842 260 Q CB 0.955 29.791 28.738 0.163 0.000 1.262 260 Q HN 0.687 nan 8.270 nan 0.000 0.451 261 I N 1.436 122.023 120.570 0.029 0.000 2.892 261 I HA 0.879 5.049 4.170 -0.000 0.000 0.306 261 I C 0.362 176.441 176.117 -0.065 0.000 1.078 261 I CA -0.912 60.324 61.300 -0.106 0.000 1.032 261 I CB 2.564 40.607 38.000 0.072 0.000 1.229 261 I HN 0.740 nan 8.210 nan 0.000 0.435 262 G N 1.544 110.233 108.800 -0.186 0.000 2.324 262 G HA2 0.279 4.239 3.960 -0.000 0.000 0.293 262 G HA3 0.279 4.239 3.960 -0.000 0.000 0.293 262 G C -1.095 173.846 174.900 0.068 0.000 1.297 262 G CA -0.355 44.754 45.100 0.014 0.000 0.853 262 G HN 0.758 nan 8.290 nan 0.000 0.535 263 S N 0.034 115.785 115.700 0.086 0.000 2.608 263 S HA 0.560 5.030 4.470 -0.000 0.000 0.261 263 S C -1.138 173.552 174.600 0.150 0.000 1.314 263 S CA -0.111 58.132 58.200 0.072 0.000 0.992 263 S CB 1.789 65.009 63.200 0.034 0.000 0.935 263 S HN 0.622 nan 8.310 nan 0.000 0.564 264 P HA 0.092 nan 4.420 nan 0.000 0.249 264 P C -0.158 177.139 177.300 -0.004 0.000 1.229 264 P CA 0.035 63.155 63.100 0.035 0.000 0.788 264 P CB -0.228 31.483 31.700 0.019 0.000 1.072 265 D N 0.948 121.360 120.400 0.021 0.000 2.520 265 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 265 D C 1.321 177.628 176.300 0.012 0.000 1.160 265 D CA 0.244 54.256 54.000 0.020 0.000 0.877 265 D CB 0.692 41.512 40.800 0.034 0.000 1.150 265 D HN -0.128 nan 8.370 nan 0.000 0.494 266 M N 3.781 123.386 119.600 0.009 0.000 2.557 266 M HA -0.063 4.417 4.480 -0.000 0.000 0.259 266 M C 1.727 178.048 176.300 0.035 0.000 1.086 266 M CA 0.774 56.080 55.300 0.009 0.000 1.096 266 M CB -0.461 32.147 32.600 0.014 0.000 1.424 266 M HN 0.387 nan 8.290 nan 0.000 0.488 267 R N -0.925 119.599 120.500 0.039 0.000 2.237 267 R HA -0.055 4.285 4.340 -0.000 0.000 0.219 267 R C 1.979 178.318 176.300 0.065 0.000 1.080 267 R CA 1.159 57.286 56.100 0.045 0.000 0.995 267 R CB -0.291 30.029 30.300 0.034 0.000 0.875 267 R HN 0.327 nan 8.270 nan 0.000 0.462 268 T N 1.342 115.938 114.554 0.071 0.000 2.698 268 T HA -0.052 4.298 4.350 -0.000 0.000 0.260 268 T C -1.034 173.746 174.700 0.133 0.000 1.044 268 T CA 1.090 63.252 62.100 0.102 0.000 1.149 268 T CB -0.781 68.150 68.868 0.106 0.000 0.864 268 T HN 0.232 nan 8.240 nan 0.000 0.419 269 P HA 0.030 nan 4.420 nan 0.000 0.217 269 P C 1.552 178.959 177.300 0.178 0.000 1.150 269 P CA 1.076 64.253 63.100 0.128 0.000 0.832 269 P CB -0.222 31.513 31.700 0.058 0.000 0.787 270 I N 0.103 120.753 120.570 0.132 0.000 2.226 270 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 270 I C 2.733 178.931 176.117 0.135 0.000 1.100 270 I CA 1.799 63.188 61.300 0.148 0.000 1.374 270 I CB -1.256 36.809 38.000 0.109 0.000 1.057 270 I HN 0.003 nan 8.210 nan 0.000 0.413 271 G N -0.100 108.763 108.800 0.105 0.000 2.422 271 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 271 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 271 G C 1.630 176.602 174.900 0.120 0.000 1.146 271 G CA 0.836 45.978 45.100 0.072 0.000 0.769 271 G HN 0.461 nan 8.290 nan 0.000 0.547 272 H N 1.583 120.722 119.070 0.115 0.000 2.321 272 H HA -0.153 4.403 4.556 -0.000 0.000 0.300 272 H C 2.649 178.099 175.328 0.205 0.000 1.087 272 H CA 2.361 58.513 56.048 0.173 0.000 1.319 272 H CB -0.608 29.268 29.762 0.190 0.000 1.379 272 H HN 0.411 nan 8.280 nan 0.000 0.501 273 T N -0.589 114.063 114.554 0.163 0.000 2.867 273 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 273 T C 2.194 177.062 174.700 0.281 0.000 1.057 273 T CA 1.188 63.385 62.100 0.162 0.000 1.136 273 T CB -0.643 68.382 68.868 0.262 0.000 0.874 273 T HN 0.225 nan 8.240 nan 0.000 0.466 274 L N 1.298 122.544 121.223 0.039 0.000 2.109 274 L HA 0.421 4.761 4.340 -0.000 0.000 0.207 274 L C 2.674 179.356 176.870 -0.312 0.000 1.086 274 L CA 1.658 56.176 54.840 -0.535 0.000 0.760 274 L CB -0.950 40.708 42.059 -0.668 0.000 0.910 274 L HN 0.359 nan 8.230 nan 0.000 0.437 275 A N -1.891 120.878 122.820 -0.084 0.000 2.081 275 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 275 A C 0.750 178.348 177.584 0.023 0.000 1.158 275 A CA -0.340 51.685 52.037 -0.020 0.000 0.724 275 A CB -0.962 18.038 19.000 -0.001 0.000 0.826 275 A HN 0.508 nan 8.150 nan 0.000 0.463 276 W N 2.482 123.699 121.300 -0.140 0.000 2.480 276 W HA 0.053 4.713 4.660 -0.000 0.000 0.337 276 W C -1.330 175.189 176.519 -0.002 0.000 1.201 276 W CA -0.078 57.202 57.345 -0.109 0.000 1.309 276 W CB 0.720 30.062 29.460 -0.196 0.000 1.168 276 W HN 0.161 nan 8.180 nan 0.000 0.566 277 P HA -0.036 nan 4.420 nan 0.000 0.245 277 P C -0.371 176.629 177.300 -0.501 0.000 1.212 277 P CA 0.953 63.266 63.100 -1.311 0.000 0.774 277 P CB 0.281 31.206 31.700 -1.293 0.000 0.999 278 K N 0.172 120.419 120.400 -0.255 0.000 2.488 278 K HA 0.414 4.734 4.320 -0.000 0.000 0.255 278 K C 0.628 177.203 176.600 -0.041 0.000 1.036 278 K CA -0.690 55.526 56.287 -0.119 0.000 0.990 278 K CB 0.761 33.211 32.500 -0.085 0.000 1.304 278 K HN -0.152 nan 8.250 nan 0.000 0.505 279 R N 0.756 121.254 120.500 -0.003 0.000 2.750 279 R HA 0.455 4.795 4.340 -0.000 0.000 0.281 279 R C -0.495 175.822 176.300 0.029 0.000 0.972 279 R CA -0.677 55.449 56.100 0.044 0.000 0.912 279 R CB 1.918 32.260 30.300 0.070 0.000 1.187 279 R HN 0.759 nan 8.270 nan 0.000 0.464 280 M N -0.913 118.713 119.600 0.044 0.000 2.593 280 M HA 0.544 5.024 4.480 -0.000 0.000 0.290 280 M C -0.601 175.724 176.300 0.042 0.000 1.244 280 M CA -0.851 54.468 55.300 0.031 0.000 0.857 280 M CB 2.569 35.185 32.600 0.026 0.000 1.738 280 M HN 0.168 nan 8.290 nan 0.000 0.461 281 E N 2.345 122.563 120.200 0.031 0.000 2.338 281 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 281 E C -0.493 176.128 176.600 0.035 0.000 1.029 281 E CA 0.316 56.736 56.400 0.034 0.000 0.872 281 E CB 1.550 31.264 29.700 0.023 0.000 1.015 281 E HN 0.775 nan 8.360 nan 0.000 0.417 282 T N -0.937 113.642 114.554 0.041 0.000 2.896 282 T HA 0.407 4.757 4.350 -0.000 0.000 0.297 282 T C -2.155 172.566 174.700 0.035 0.000 1.108 282 T CA -1.559 60.564 62.100 0.037 0.000 1.004 282 T CB 1.894 70.790 68.868 0.047 0.000 1.159 282 T HN 0.175 nan 8.240 nan 0.000 0.499 283 P HA 0.277 nan 4.420 nan 0.000 0.253 283 P C 0.463 177.782 177.300 0.031 0.000 1.281 283 P CA -0.217 62.900 63.100 0.027 0.000 0.792 283 P CB -0.571 31.142 31.700 0.021 0.000 1.193 284 A N 0.868 123.711 122.820 0.039 0.000 2.540 284 A HA 0.000 4.320 4.320 -0.000 0.000 0.239 284 A C 0.507 178.115 177.584 0.040 0.000 1.061 284 A CA -0.151 51.911 52.037 0.042 0.000 0.758 284 A CB -0.228 18.805 19.000 0.056 0.000 0.991 284 A HN 0.253 nan 8.150 nan 0.000 0.502 285 E N 1.990 122.209 120.200 0.032 0.000 2.392 285 E HA 0.200 4.550 4.350 -0.000 0.000 0.264 285 E C -0.440 176.176 176.600 0.027 0.000 1.024 285 E CA -0.115 56.300 56.400 0.025 0.000 0.903 285 E CB 0.432 30.139 29.700 0.013 0.000 0.963 285 E HN 0.590 nan 8.360 nan 0.000 0.432 286 S N 3.582 119.299 115.700 0.028 0.000 2.474 286 S HA 0.111 4.581 4.470 -0.000 0.000 0.276 286 S C -0.245 174.353 174.600 -0.003 0.000 1.227 286 S CA -0.646 57.575 58.200 0.035 0.000 1.050 286 S CB 0.510 63.743 63.200 0.055 0.000 0.939 286 S HN 0.452 nan 8.310 nan 0.000 0.490 287 L N 4.019 125.211 121.223 -0.052 0.000 2.559 287 L HA 0.071 4.411 4.340 -0.000 0.000 0.274 287 L C 0.204 176.945 176.870 -0.214 0.000 1.205 287 L CA 0.563 55.279 54.840 -0.207 0.000 0.907 287 L CB 0.178 41.984 42.059 -0.423 0.000 1.153 287 L HN 0.509 nan 8.230 nan 0.000 0.490 288 D N 4.678 124.978 120.400 -0.167 0.000 2.456 288 D HA 0.038 4.678 4.640 -0.000 0.000 0.219 288 D C 0.858 177.111 176.300 -0.079 0.000 1.126 288 D CA -0.136 53.836 54.000 -0.046 0.000 0.890 288 D CB 0.319 41.113 40.800 -0.011 0.000 1.025 288 D HN 0.511 nan 8.370 nan 0.000 0.511 289 F N 1.077 121.039 119.950 0.019 0.000 2.216 289 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 289 F C 2.758 178.568 175.800 0.017 0.000 1.085 289 F CA 1.375 59.386 58.000 0.020 0.000 1.326 289 F CB -0.517 38.495 39.000 0.021 0.000 1.027 289 F HN 0.388 nan 8.300 nan 0.000 0.497 290 T N -1.874 112.794 114.554 0.190 0.000 2.821 290 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 290 T C 1.848 176.587 174.700 0.066 0.000 1.046 290 T CA 1.164 63.331 62.100 0.111 0.000 1.139 290 T CB -0.355 68.562 68.868 0.083 0.000 0.871 290 T HN 0.245 nan 8.240 nan 0.000 0.454 291 K N 0.393 120.818 120.400 0.042 0.000 2.167 291 K HA 0.172 4.492 4.320 -0.000 0.000 0.203 291 K C 2.207 178.808 176.600 0.002 0.000 1.052 291 K CA 0.775 57.071 56.287 0.014 0.000 0.956 291 K CB -0.336 32.164 32.500 -0.001 0.000 0.735 291 K HN 0.224 nan 8.250 nan 0.000 0.451 292 L N 1.294 122.511 121.223 -0.009 0.000 2.017 292 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 292 L C 1.744 178.623 176.870 0.015 0.000 1.073 292 L CA 1.979 56.805 54.840 -0.023 0.000 0.745 292 L CB -0.333 41.689 42.059 -0.062 0.000 0.894 292 L HN 0.328 nan 8.230 nan 0.000 0.432 293 R N -1.984 118.548 120.500 0.054 0.000 2.248 293 R HA -0.268 4.071 4.340 -0.000 0.000 0.154 293 R C -0.068 176.272 176.300 0.067 0.000 0.881 293 R CA 1.969 58.105 56.100 0.059 0.000 1.877 293 R CB -1.002 29.317 30.300 0.033 0.000 0.832 293 R HN 0.614 nan 8.270 nan 0.000 0.665 294 Q N -0.348 119.482 119.800 0.050 0.000 2.456 294 Q HA 0.620 4.960 4.340 -0.000 0.000 0.284 294 Q C -1.262 174.762 176.000 0.039 0.000 1.061 294 Q CA -0.783 55.052 55.803 0.052 0.000 0.799 294 Q CB 2.629 31.383 28.738 0.027 0.000 1.445 294 Q HN 0.170 nan 8.270 nan 0.000 0.411 295 M N 1.492 121.122 119.600 0.050 0.000 2.263 295 M HA 0.421 4.901 4.480 -0.000 0.000 0.295 295 M C -1.565 174.610 176.300 -0.208 0.000 1.028 295 M CA -0.623 54.665 55.300 -0.021 0.000 0.921 295 M CB 2.007 34.669 32.600 0.102 0.000 1.601 295 M HN 0.476 nan 8.290 nan 0.000 0.440 296 D N 2.450 122.621 120.400 -0.382 0.000 2.269 296 D HA 0.699 5.338 4.640 -0.000 0.000 0.244 296 D C -1.343 174.532 176.300 -0.708 0.000 0.992 296 D CA 0.019 53.809 54.000 -0.351 0.000 0.894 296 D CB 2.253 42.968 40.800 -0.142 0.000 1.248 296 D HN 0.275 nan 8.370 nan 0.000 0.468 297 F N 0.227 120.242 119.950 0.108 0.000 2.591 297 F HA 0.324 4.850 4.527 -0.000 0.000 0.309 297 F C 0.163 175.999 175.800 0.060 0.000 1.098 297 F CA -0.871 57.182 58.000 0.089 0.000 0.937 297 F CB 2.202 41.228 39.000 0.042 0.000 1.250 297 F HN 0.247 nan 8.300 nan 0.000 0.447 298 E N 0.921 121.252 120.200 0.217 0.000 2.423 298 E HA 0.783 5.133 4.350 -0.000 0.000 0.280 298 E C -1.760 174.909 176.600 0.114 0.000 1.030 298 E CA -1.505 54.978 56.400 0.138 0.000 0.812 298 E CB 1.810 31.564 29.700 0.089 0.000 1.313 298 E HN 0.703 nan 8.360 nan 0.000 0.456 299 A N 1.867 124.744 122.820 0.096 0.000 2.407 299 A HA 0.485 4.805 4.320 -0.000 0.000 0.248 299 A C -1.971 175.638 177.584 0.042 0.000 1.082 299 A CA -1.041 51.047 52.037 0.086 0.000 0.785 299 A CB -0.330 18.732 19.000 0.104 0.000 1.020 299 A HN 0.524 nan 8.150 nan 0.000 0.489 300 P HA 0.115 nan 4.420 nan 0.000 0.275 300 P C -1.024 176.193 177.300 -0.140 0.000 1.228 300 P CA -0.210 62.797 63.100 -0.154 0.000 0.786 300 P CB 0.805 32.301 31.700 -0.340 0.000 0.927 301 D N 1.884 122.274 120.400 -0.017 0.000 2.479 301 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 301 D C 0.613 176.981 176.300 0.113 0.000 1.131 301 D CA -0.482 53.584 54.000 0.109 0.000 0.916 301 D CB -0.068 40.860 40.800 0.214 0.000 1.022 301 D HN 0.201 nan 8.370 nan 0.000 0.515 302 Y N 1.458 121.851 120.300 0.155 0.000 2.403 302 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 302 Y C 2.120 178.072 175.900 0.087 0.000 1.143 302 Y CA 0.801 58.977 58.100 0.126 0.000 1.257 302 Y CB 0.271 38.778 38.460 0.078 0.000 0.984 302 Y HN 0.379 nan 8.280 nan 0.000 0.550 303 E N -0.024 120.286 120.200 0.183 0.000 2.112 303 E HA -0.089 4.260 4.350 -0.000 0.000 0.190 303 E C 2.084 178.671 176.600 -0.021 0.000 0.979 303 E CA 0.882 57.328 56.400 0.077 0.000 0.814 303 E CB -0.259 29.474 29.700 0.055 0.000 0.762 303 E HN 0.479 nan 8.360 nan 0.000 0.460 304 R N -0.616 119.836 120.500 -0.080 0.000 2.240 304 R HA 0.085 4.425 4.340 -0.000 0.000 0.203 304 R C 0.142 175.970 176.300 -0.787 0.000 1.011 304 R CA 0.372 56.225 56.100 -0.412 0.000 1.007 304 R CB 0.191 30.210 30.300 -0.468 0.000 0.911 304 R HN 0.019 nan 8.270 nan 0.000 0.468 305 F N 0.657 120.623 119.950 0.027 0.000 2.660 305 F HA 0.294 4.821 4.527 -0.000 0.000 0.352 305 F C -1.680 174.138 175.800 0.029 0.000 1.257 305 F CA -2.326 55.685 58.000 0.019 0.000 1.200 305 F CB 1.723 40.723 39.000 -0.001 0.000 1.473 305 F HN -0.180 nan 8.300 nan 0.000 0.561 306 P HA -0.223 nan 4.420 nan 0.000 0.223 306 P C 1.465 178.825 177.300 0.101 0.000 1.144 306 P CA 1.304 64.461 63.100 0.096 0.000 0.783 306 P CB 0.324 32.039 31.700 0.024 0.000 0.771 307 A N 0.607 123.486 122.820 0.099 0.000 1.940 307 A HA -0.167 4.152 4.320 -0.000 0.000 0.219 307 A C 2.409 180.051 177.584 0.098 0.000 1.176 307 A CA 1.403 53.484 52.037 0.073 0.000 0.631 307 A CB -1.560 17.479 19.000 0.064 0.000 0.814 307 A HN 0.160 nan 8.150 nan 0.000 0.446 308 L N -0.913 120.397 121.223 0.146 0.000 2.042 308 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 308 L C 2.789 179.795 176.870 0.226 0.000 1.076 308 L CA 1.866 56.818 54.840 0.186 0.000 0.749 308 L CB -1.020 41.152 42.059 0.187 0.000 0.893 308 L HN 0.350 nan 8.230 nan 0.000 0.432 309 T N 0.191 114.885 114.554 0.234 0.000 2.777 309 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 309 T C 2.002 176.730 174.700 0.046 0.000 1.040 309 T CA 1.047 63.218 62.100 0.119 0.000 1.141 309 T CB -0.197 68.727 68.868 0.094 0.000 0.868 309 T HN 0.174 nan 8.240 nan 0.000 0.444 310 L N 0.855 122.105 121.223 0.045 0.000 2.012 310 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 310 L C 3.073 179.945 176.870 0.003 0.000 1.073 310 L CA 1.384 56.231 54.840 0.013 0.000 0.748 310 L CB -0.738 41.327 42.059 0.011 0.000 0.891 310 L HN 0.241 nan 8.230 nan 0.000 0.431 311 A N -0.524 122.307 122.820 0.018 0.000 1.902 311 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 311 A C 2.240 179.805 177.584 -0.032 0.000 1.181 311 A CA 2.118 54.156 52.037 0.001 0.000 0.623 311 A CB -0.492 18.520 19.000 0.019 0.000 0.818 311 A HN 0.365 nan 8.150 nan 0.000 0.443 312 M N 0.332 119.919 119.600 -0.021 0.000 2.086 312 M HA -0.121 4.359 4.480 -0.000 0.000 0.261 312 M C 1.768 178.015 176.300 -0.089 0.000 1.067 312 M CA 2.073 57.334 55.300 -0.065 0.000 1.116 312 M CB -0.733 31.840 32.600 -0.045 0.000 1.348 312 M HN 0.540 nan 8.290 nan 0.000 0.407 313 E N -0.943 119.219 120.200 -0.063 0.000 2.118 313 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 313 E C 1.994 178.551 176.600 -0.071 0.000 0.992 313 E CA 1.571 57.931 56.400 -0.066 0.000 0.804 313 E CB -0.279 29.392 29.700 -0.048 0.000 0.741 313 E HN 0.496 nan 8.360 nan 0.000 0.458 314 S N 0.951 116.615 115.700 -0.061 0.000 2.348 314 S HA -0.163 4.306 4.470 -0.000 0.000 0.221 314 S C 2.043 176.596 174.600 -0.078 0.000 1.033 314 S CA 0.963 59.130 58.200 -0.055 0.000 1.010 314 S CB -0.191 62.989 63.200 -0.032 0.000 0.891 314 S HN 0.174 nan 8.310 nan 0.000 0.442 315 I N 1.708 122.207 120.570 -0.120 0.000 2.439 315 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 315 I C 1.994 177.951 176.117 -0.267 0.000 1.139 315 I CA 1.300 62.479 61.300 -0.202 0.000 1.438 315 I CB -0.327 37.483 38.000 -0.316 0.000 1.085 315 I HN 0.025 nan 8.210 nan 0.000 0.427 316 K N 0.385 120.653 120.400 -0.219 0.000 2.026 316 K HA -0.093 4.226 4.320 -0.000 0.000 0.208 316 K C 2.064 178.590 176.600 -0.124 0.000 1.048 316 K CA 2.204 58.377 56.287 -0.189 0.000 0.929 316 K CB -0.525 31.894 32.500 -0.135 0.000 0.713 316 K HN 0.345 nan 8.250 nan 0.000 0.439 317 S N -0.300 115.345 115.700 -0.092 0.000 2.414 317 S HA 0.168 4.638 4.470 -0.000 0.000 0.227 317 S C 1.085 175.657 174.600 -0.046 0.000 1.022 317 S CA 0.566 58.730 58.200 -0.061 0.000 0.958 317 S CB -0.639 62.529 63.200 -0.054 0.000 0.797 317 S HN 0.730 nan 8.310 nan 0.000 0.493 318 G N 0.991 109.761 108.800 -0.050 0.000 2.552 318 G HA2 0.093 4.052 3.960 -0.000 0.000 0.265 318 G HA3 0.093 4.052 3.960 -0.000 0.000 0.265 318 G C 0.635 175.535 174.900 0.001 0.000 1.234 318 G CA -0.357 44.740 45.100 -0.006 0.000 0.944 318 G HN 1.481 nan 8.290 nan 0.000 0.568 319 G N -1.229 107.582 108.800 0.018 0.000 2.583 319 G HA2 0.159 4.118 3.960 -0.000 0.000 0.292 319 G HA3 0.159 4.118 3.960 -0.000 0.000 0.292 319 G C 1.462 176.355 174.900 -0.010 0.000 1.203 319 G CA 2.581 47.679 45.100 -0.004 0.000 0.987 319 G HN 2.584 nan 8.290 nan 0.000 0.554 320 A N -0.390 122.405 122.820 -0.042 0.000 2.308 320 A HA 0.390 4.709 4.320 -0.000 0.000 0.217 320 A C 2.242 179.801 177.584 -0.043 0.000 1.216 320 A CA 1.252 53.260 52.037 -0.048 0.000 0.864 320 A CB -0.132 18.815 19.000 -0.088 0.000 0.902 320 A HN 0.508 nan 8.150 nan 0.000 0.499 321 R N 0.584 121.060 120.500 -0.041 0.000 2.112 321 R HA -0.166 4.174 4.340 -0.000 0.000 0.242 321 R C -0.750 175.546 176.300 -0.006 0.000 1.137 321 R CA 2.221 58.301 56.100 -0.033 0.000 0.944 321 R CB -2.001 28.277 30.300 -0.036 0.000 0.857 321 R HN 0.353 nan 8.270 nan 0.000 0.435 322 P HA -0.095 nan 4.420 nan 0.000 0.215 322 P C 1.120 178.438 177.300 0.030 0.000 1.153 322 P CA 1.904 65.019 63.100 0.026 0.000 0.853 322 P CB -0.145 31.590 31.700 0.059 0.000 0.788 323 A N -0.685 122.149 122.820 0.024 0.000 1.877 323 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 323 A C 2.332 179.949 177.584 0.055 0.000 1.186 323 A CA 1.858 53.913 52.037 0.031 0.000 0.620 323 A CB -1.719 17.292 19.000 0.018 0.000 0.822 323 A HN 0.019 nan 8.150 nan 0.000 0.443 324 V N -0.057 119.891 119.914 0.057 0.000 2.295 324 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 324 V C 2.595 178.736 176.094 0.080 0.000 1.049 324 V CA 2.284 64.646 62.300 0.103 0.000 1.024 324 V CB -0.721 31.155 31.823 0.089 0.000 0.648 324 V HN 0.720 nan 8.190 nan 0.000 0.447 325 M N 0.712 120.340 119.600 0.047 0.000 2.080 325 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 325 M C 2.148 178.471 176.300 0.038 0.000 1.068 325 M CA 2.703 58.024 55.300 0.035 0.000 1.109 325 M CB -0.476 32.136 32.600 0.020 0.000 1.342 325 M HN 0.482 nan 8.290 nan 0.000 0.405 326 N N 0.325 119.049 118.700 0.040 0.000 2.104 326 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 326 N C 1.592 177.129 175.510 0.045 0.000 1.024 326 N CA 2.180 55.254 53.050 0.040 0.000 0.853 326 N CB -0.230 38.281 38.487 0.040 0.000 1.008 326 N HN 0.469 nan 8.380 nan 0.000 0.424 327 A N 0.276 123.129 122.820 0.055 0.000 1.877 327 A HA 0.080 4.399 4.320 -0.000 0.000 0.216 327 A C 2.373 179.986 177.584 0.049 0.000 1.186 327 A CA 1.859 53.930 52.037 0.057 0.000 0.620 327 A CB -1.362 17.683 19.000 0.076 0.000 0.822 327 A HN 0.454 nan 8.150 nan 0.000 0.443 328 A N 0.187 123.038 122.820 0.052 0.000 1.933 328 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 328 A C 1.947 179.550 177.584 0.031 0.000 1.175 328 A CA 2.193 54.255 52.037 0.042 0.000 0.628 328 A CB -0.802 18.225 19.000 0.046 0.000 0.814 328 A HN 0.642 nan 8.150 nan 0.000 0.444 329 N N -0.227 118.491 118.700 0.029 0.000 2.166 329 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 329 N C 1.667 177.196 175.510 0.033 0.000 1.019 329 N CA 1.618 54.681 53.050 0.022 0.000 0.856 329 N CB -0.170 38.329 38.487 0.021 0.000 0.993 329 N HN 0.438 nan 8.380 nan 0.000 0.426 330 E N 0.259 120.481 120.200 0.037 0.000 2.058 330 E HA -0.161 4.188 4.350 -0.000 0.000 0.194 330 E C 1.946 178.571 176.600 0.042 0.000 0.997 330 E CA 0.806 57.230 56.400 0.041 0.000 0.801 330 E CB -0.231 29.491 29.700 0.037 0.000 0.746 330 E HN 0.447 nan 8.360 nan 0.000 0.450 331 I N 1.038 121.630 120.570 0.037 0.000 2.142 331 I HA -0.213 3.956 4.170 -0.000 0.000 0.240 331 I C 2.506 178.650 176.117 0.046 0.000 1.078 331 I CA 1.121 62.442 61.300 0.035 0.000 1.343 331 I CB -1.535 36.481 38.000 0.026 0.000 1.046 331 I HN -0.045 nan 8.210 nan 0.000 0.405 332 A N 0.664 123.510 122.820 0.043 0.000 1.883 332 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 332 A C 2.553 180.192 177.584 0.091 0.000 1.186 332 A CA 1.963 54.029 52.037 0.049 0.000 0.624 332 A CB -1.022 17.987 19.000 0.014 0.000 0.822 332 A HN 0.248 nan 8.150 nan 0.000 0.444 333 V N -0.140 119.826 119.914 0.087 0.000 2.295 333 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 333 V C 3.071 179.271 176.094 0.178 0.000 1.049 333 V CA 2.011 64.400 62.300 0.148 0.000 1.024 333 V CB -1.297 30.592 31.823 0.111 0.000 0.648 333 V HN 0.631 nan 8.190 nan 0.000 0.447 334 A N 0.008 122.894 122.820 0.108 0.000 1.908 334 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 334 A C 2.437 180.067 177.584 0.077 0.000 1.181 334 A CA 2.211 54.296 52.037 0.080 0.000 0.627 334 A CB -0.842 18.188 19.000 0.050 0.000 0.818 334 A HN 0.589 nan 8.150 nan 0.000 0.445 335 A N -1.132 121.742 122.820 0.089 0.000 1.908 335 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 335 A C 2.051 179.704 177.584 0.115 0.000 1.181 335 A CA 1.724 53.811 52.037 0.083 0.000 0.627 335 A CB -0.716 18.333 19.000 0.081 0.000 0.818 335 A HN 0.765 nan 8.150 nan 0.000 0.445 336 F N 0.609 120.584 119.950 0.042 0.000 2.113 336 F HA -0.085 4.442 4.527 -0.000 0.000 0.297 336 F C 1.806 177.652 175.800 0.077 0.000 1.103 336 F CA 1.579 59.621 58.000 0.069 0.000 1.248 336 F CB -0.413 38.644 39.000 0.096 0.000 0.999 336 F HN 0.123 nan 8.300 nan 0.000 0.475 337 L N -0.024 121.136 121.223 -0.105 0.000 2.191 337 L HA -0.182 4.157 4.340 -0.000 0.000 0.212 337 L C 1.378 178.140 176.870 -0.180 0.000 1.103 337 L CA 1.575 56.294 54.840 -0.201 0.000 0.769 337 L CB -0.659 41.399 42.059 -0.002 0.000 0.908 337 L HN 0.132 nan 8.230 nan 0.000 0.438 338 D N 0.197 120.534 120.400 -0.105 0.000 2.325 338 D HA -0.000 4.640 4.640 -0.000 0.000 0.225 338 D C 0.423 176.673 176.300 -0.084 0.000 1.096 338 D CA -0.022 53.934 54.000 -0.073 0.000 0.844 338 D CB 0.098 40.882 40.800 -0.026 0.000 0.925 338 D HN 0.025 nan 8.370 nan 0.000 0.513 339 K N -0.408 119.902 120.400 -0.151 0.000 3.069 339 K HA -0.200 4.120 4.320 -0.000 0.000 0.267 339 K C 0.735 177.318 176.600 -0.028 0.000 1.082 339 K CA 0.415 56.633 56.287 -0.115 0.000 0.782 339 K CB -0.556 31.885 32.500 -0.099 0.000 1.230 339 K HN 0.127 nan 8.250 nan 0.000 0.488 340 K N -0.048 120.354 120.400 0.003 0.000 2.323 340 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 340 K C 1.311 177.947 176.600 0.060 0.000 1.043 340 K CA 0.905 57.209 56.287 0.028 0.000 0.997 340 K CB 0.168 32.684 32.500 0.028 0.000 0.807 340 K HN 0.599 nan 8.250 nan 0.000 0.497 341 I N -4.239 116.396 120.570 0.109 0.000 3.279 341 I HA 0.588 4.758 4.170 -0.000 0.000 0.315 341 I C 0.023 176.298 176.117 0.263 0.000 1.187 341 I CA -1.478 59.910 61.300 0.146 0.000 0.953 341 I CB 1.702 39.780 38.000 0.131 0.000 1.279 341 I HN -0.159 nan 8.210 nan 0.000 0.465 342 G N 0.183 109.114 108.800 0.217 0.000 2.504 342 G HA2 0.316 4.276 3.960 -0.000 0.000 0.288 342 G HA3 0.316 4.276 3.960 -0.000 0.000 0.288 342 G C -0.148 174.888 174.900 0.227 0.000 1.182 342 G CA -0.458 44.808 45.100 0.276 0.000 0.894 342 G HN 0.741 nan 8.290 nan 0.000 0.521 343 F N 0.477 120.403 119.950 -0.041 0.000 2.095 343 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 343 F C 2.352 177.971 175.800 -0.303 0.000 1.104 343 F CA 1.521 59.175 58.000 -0.576 0.000 1.232 343 F CB -0.066 38.644 39.000 -0.483 0.000 0.987 343 F HN 0.213 nan 8.300 nan 0.000 0.475 344 L N -0.110 121.013 121.223 -0.167 0.000 2.456 344 L HA -0.149 4.190 4.340 -0.000 0.000 0.224 344 L C 1.550 178.308 176.870 -0.188 0.000 1.148 344 L CA 0.718 55.428 54.840 -0.216 0.000 0.825 344 L CB -0.771 41.243 42.059 -0.074 0.000 0.937 344 L HN 0.124 nan 8.230 nan 0.000 0.450 345 D N 0.283 120.604 120.400 -0.132 0.000 2.277 345 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 345 D C 2.234 178.473 176.300 -0.101 0.000 0.962 345 D CA 0.770 54.726 54.000 -0.074 0.000 0.865 345 D CB 0.240 41.039 40.800 -0.003 0.000 0.939 345 D HN 0.343 nan 8.370 nan 0.000 0.510 346 I N 1.483 121.937 120.570 -0.193 0.000 2.099 346 I HA -0.299 3.871 4.170 -0.000 0.000 0.239 346 I C 2.526 178.563 176.117 -0.132 0.000 1.066 346 I CA 1.357 62.553 61.300 -0.173 0.000 1.324 346 I CB -0.299 37.518 38.000 -0.305 0.000 1.037 346 I HN -0.063 nan 8.210 nan 0.000 0.401 347 A N 0.516 123.234 122.820 -0.169 0.000 2.019 347 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 347 A C 2.278 179.822 177.584 -0.067 0.000 1.164 347 A CA 1.495 53.471 52.037 -0.102 0.000 0.644 347 A CB -0.430 18.508 19.000 -0.103 0.000 0.805 347 A HN 0.373 nan 8.150 nan 0.000 0.449 348 K N -0.454 119.904 120.400 -0.071 0.000 2.057 348 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 348 K C 1.717 178.301 176.600 -0.027 0.000 1.050 348 K CA 1.386 57.646 56.287 -0.044 0.000 0.935 348 K CB -0.297 32.179 32.500 -0.039 0.000 0.715 348 K HN 0.514 nan 8.250 nan 0.000 0.439 349 I N 0.752 121.308 120.570 -0.023 0.000 2.315 349 I HA -0.242 3.927 4.170 -0.000 0.000 0.248 349 I C 2.178 178.296 176.117 0.001 0.000 1.117 349 I CA 0.870 62.168 61.300 -0.002 0.000 1.404 349 I CB -0.174 37.829 38.000 0.004 0.000 1.071 349 I HN -0.077 nan 8.210 nan 0.000 0.419 350 V N 0.887 120.795 119.914 -0.010 0.000 2.295 350 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 350 V C 2.495 178.586 176.094 -0.006 0.000 1.049 350 V CA 2.263 64.562 62.300 -0.001 0.000 1.024 350 V CB -0.681 31.137 31.823 -0.008 0.000 0.648 350 V HN 0.513 nan 8.190 nan 0.000 0.447 351 E N 0.415 120.603 120.200 -0.020 0.000 2.058 351 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 351 E C 2.250 178.817 176.600 -0.054 0.000 0.997 351 E CA 1.667 58.047 56.400 -0.034 0.000 0.801 351 E CB -0.113 29.565 29.700 -0.036 0.000 0.746 351 E HN 0.578 nan 8.360 nan 0.000 0.450 352 K N -0.288 120.085 120.400 -0.045 0.000 2.032 352 K HA -0.116 4.204 4.320 -0.000 0.000 0.209 352 K C 2.311 178.880 176.600 -0.052 0.000 1.048 352 K CA 1.904 58.151 56.287 -0.067 0.000 0.927 352 K CB -0.242 32.265 32.500 0.012 0.000 0.712 352 K HN 0.167 nan 8.250 nan 0.000 0.441 353 T N 2.129 116.696 114.554 0.021 0.000 2.684 353 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 353 T C 1.886 176.633 174.700 0.079 0.000 1.036 353 T CA 1.151 63.298 62.100 0.078 0.000 1.148 353 T CB -0.257 68.658 68.868 0.079 0.000 0.863 353 T HN 0.111 nan 8.240 nan 0.000 0.436 354 L N 0.906 122.143 121.223 0.023 0.000 2.079 354 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 354 L C 2.473 179.321 176.870 -0.038 0.000 1.081 354 L CA 1.176 56.017 54.840 0.003 0.000 0.752 354 L CB -0.550 41.498 42.059 -0.018 0.000 0.896 354 L HN 0.212 nan 8.230 nan 0.000 0.433 355 D N -1.245 119.085 120.400 -0.117 0.000 2.144 355 D HA -0.147 4.493 4.640 -0.000 0.000 0.200 355 D C 1.933 178.120 176.300 -0.188 0.000 0.978 355 D CA 1.234 55.103 54.000 -0.218 0.000 0.833 355 D CB -0.076 40.486 40.800 -0.397 0.000 0.961 355 D HN 0.415 nan 8.370 nan 0.000 0.470 356 H N -1.944 117.164 119.070 0.063 0.000 2.592 356 H HA 0.057 4.613 4.556 -0.000 0.000 0.265 356 H C -0.237 175.186 175.328 0.158 0.000 0.955 356 H CA 0.043 56.142 56.048 0.083 0.000 1.175 356 H CB 0.344 30.147 29.762 0.069 0.000 1.433 356 H HN 0.120 nan 8.280 nan 0.000 0.537 357 Y N 2.053 122.407 120.300 0.091 0.000 2.363 357 Y HA 0.324 4.874 4.550 -0.000 0.000 0.325 357 Y C -0.519 175.399 175.900 0.030 0.000 0.984 357 Y CA -1.463 56.672 58.100 0.058 0.000 1.248 357 Y CB 1.043 39.533 38.460 0.051 0.000 1.116 357 Y HN -0.063 nan 8.280 nan 0.000 0.470 358 T N 5.900 120.248 114.554 -0.344 0.000 3.317 358 T HA 0.444 4.794 4.350 -0.000 0.000 0.361 358 T C -2.550 171.911 174.700 -0.398 0.000 1.499 358 T CA -1.413 60.474 62.100 -0.356 0.000 1.529 358 T CB 0.515 69.294 68.868 -0.147 0.000 0.997 358 T HN 0.466 nan 8.240 nan 0.000 0.624 359 P HA 0.513 nan 4.420 nan 0.000 0.275 359 P C 0.043 177.234 177.300 -0.183 0.000 1.270 359 P CA -0.535 62.349 63.100 -0.359 0.000 0.791 359 P CB 0.485 31.957 31.700 -0.380 0.000 1.089 360 A N 0.289 123.052 122.820 -0.095 0.000 2.332 360 A HA 0.371 4.690 4.320 -0.000 0.000 0.258 360 A C 0.386 177.935 177.584 -0.057 0.000 1.087 360 A CA -0.251 51.749 52.037 -0.061 0.000 0.802 360 A CB -0.649 18.331 19.000 -0.033 0.000 1.042 360 A HN 0.539 nan 8.150 nan 0.000 0.489 361 T N 3.502 118.029 114.554 -0.045 0.000 2.928 361 T HA 0.328 4.678 4.350 -0.000 0.000 0.305 361 T C -2.180 172.498 174.700 -0.037 0.000 1.035 361 T CA -0.017 62.061 62.100 -0.038 0.000 1.145 361 T CB -0.108 68.746 68.868 -0.025 0.000 0.963 361 T HN 0.488 nan 8.240 nan 0.000 0.545 362 P HA 0.193 nan 4.420 nan 0.000 0.266 362 P C 0.041 177.308 177.300 -0.055 0.000 1.195 362 P CA -0.096 62.970 63.100 -0.055 0.000 0.768 362 P CB 0.541 32.194 31.700 -0.078 0.000 0.838 363 S N -0.759 114.908 115.700 -0.055 0.000 2.578 363 S HA 0.213 4.682 4.470 -0.000 0.000 0.228 363 S C 0.357 174.920 174.600 -0.062 0.000 1.022 363 S CA -0.088 58.083 58.200 -0.048 0.000 0.967 363 S CB 0.015 63.195 63.200 -0.033 0.000 0.914 363 S HN 0.683 nan 8.310 nan 0.000 0.515 364 S N -0.405 115.242 115.700 -0.088 0.000 2.636 364 S HA 0.489 4.959 4.470 -0.000 0.000 0.268 364 S C 0.290 174.770 174.600 -0.201 0.000 1.159 364 S CA -0.837 57.295 58.200 -0.114 0.000 0.815 364 S CB 0.138 63.291 63.200 -0.078 0.000 1.130 364 S HN 0.033 nan 8.310 nan 0.000 0.471 365 L N 0.670 121.726 121.223 -0.277 0.000 2.131 365 L HA -0.082 4.257 4.340 -0.000 0.000 0.210 365 L C 2.401 178.817 176.870 -0.756 0.000 1.092 365 L CA 1.557 56.042 54.840 -0.592 0.000 0.759 365 L CB -0.723 40.983 42.059 -0.589 0.000 0.903 365 L HN 0.728 nan 8.230 nan 0.000 0.435 366 E N 0.210 120.244 120.200 -0.276 0.000 2.085 366 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 366 E C 1.810 178.392 176.600 -0.029 0.000 0.994 366 E CA 1.256 57.650 56.400 -0.009 0.000 0.801 366 E CB -0.226 29.508 29.700 0.056 0.000 0.743 366 E HN 0.387 nan 8.360 nan 0.000 0.453 367 D N -0.435 119.915 120.400 -0.083 0.000 2.144 367 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 367 D C 1.939 178.205 176.300 -0.056 0.000 0.978 367 D CA 0.694 54.669 54.000 -0.043 0.000 0.833 367 D CB -0.148 40.623 40.800 -0.049 0.000 0.961 367 D HN 0.049 nan 8.370 nan 0.000 0.470 368 V N 0.610 120.418 119.914 -0.176 0.000 2.358 368 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 368 V C 2.223 178.294 176.094 -0.038 0.000 1.047 368 V CA 1.260 63.461 62.300 -0.165 0.000 1.035 368 V CB -0.696 30.943 31.823 -0.307 0.000 0.658 368 V HN 0.161 nan 8.190 nan 0.000 0.452 369 F N 0.626 120.580 119.950 0.007 0.000 2.126 369 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 369 F C 2.553 178.365 175.800 0.019 0.000 1.096 369 F CA 1.000 59.005 58.000 0.008 0.000 1.255 369 F CB -0.517 38.482 39.000 -0.000 0.000 0.997 369 F HN 0.149 nan 8.300 nan 0.000 0.479 370 A N 0.705 123.651 122.820 0.209 0.000 1.877 370 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 370 A C 2.131 179.800 177.584 0.142 0.000 1.186 370 A CA 1.483 53.605 52.037 0.141 0.000 0.620 370 A CB -1.021 18.044 19.000 0.109 0.000 0.822 370 A HN 0.393 nan 8.150 nan 0.000 0.443 371 I N -0.476 120.181 120.570 0.145 0.000 2.226 371 I HA -0.255 3.914 4.170 -0.000 0.000 0.245 371 I C 2.292 178.528 176.117 0.197 0.000 1.100 371 I CA 1.969 63.392 61.300 0.204 0.000 1.374 371 I CB -0.447 37.627 38.000 0.123 0.000 1.057 371 I HN 0.428 nan 8.210 nan 0.000 0.413 372 D N 0.946 121.432 120.400 0.144 0.000 2.097 372 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 372 D C 1.871 178.223 176.300 0.086 0.000 0.989 372 D CA 1.565 55.638 54.000 0.121 0.000 0.827 372 D CB 0.052 40.932 40.800 0.133 0.000 0.966 372 D HN 0.166 nan 8.370 nan 0.000 0.456 373 N N 0.043 118.792 118.700 0.081 0.000 2.104 373 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 373 N C 1.554 177.052 175.510 -0.020 0.000 1.024 373 N CA 1.104 54.173 53.050 0.031 0.000 0.853 373 N CB -0.313 38.195 38.487 0.034 0.000 1.008 373 N HN 0.217 nan 8.380 nan 0.000 0.424 374 E N 0.658 120.835 120.200 -0.038 0.000 2.047 374 E HA 0.036 4.386 4.350 -0.000 0.000 0.191 374 E C 1.777 178.170 176.600 -0.345 0.000 0.987 374 E CA 1.284 57.555 56.400 -0.215 0.000 0.799 374 E CB -0.477 29.059 29.700 -0.274 0.000 0.752 374 E HN 0.315 nan 8.360 nan 0.000 0.449 375 A N 0.631 123.345 122.820 -0.177 0.000 1.940 375 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 375 A C 2.208 179.767 177.584 -0.042 0.000 1.176 375 A CA 1.729 53.733 52.037 -0.055 0.000 0.631 375 A CB -0.492 18.621 19.000 0.188 0.000 0.814 375 A HN 0.202 nan 8.150 nan 0.000 0.446 376 R N -0.631 119.854 120.500 -0.026 0.000 2.092 376 R HA -0.003 4.337 4.340 -0.000 0.000 0.231 376 R C 1.963 178.241 176.300 -0.038 0.000 1.119 376 R CA 1.518 57.609 56.100 -0.014 0.000 0.970 376 R CB -0.404 29.895 30.300 -0.001 0.000 0.864 376 R HN 0.583 nan 8.270 nan 0.000 0.440 377 I N 0.718 121.244 120.570 -0.073 0.000 2.202 377 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 377 I C 2.381 178.449 176.117 -0.082 0.000 1.091 377 I CA 1.136 62.390 61.300 -0.077 0.000 1.368 377 I CB -0.315 37.626 38.000 -0.099 0.000 1.058 377 I HN 0.197 nan 8.210 nan 0.000 0.410 378 Q N 0.810 120.531 119.800 -0.131 0.000 2.061 378 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 378 Q C 2.478 178.465 176.000 -0.022 0.000 0.984 378 Q CA 1.972 57.717 55.803 -0.097 0.000 0.846 378 Q CB -0.573 28.073 28.738 -0.152 0.000 0.902 378 Q HN 0.567 nan 8.270 nan 0.000 0.421 379 A N 1.308 124.121 122.820 -0.011 0.000 1.908 379 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 379 A C 2.380 179.970 177.584 0.011 0.000 1.181 379 A CA 2.062 54.108 52.037 0.015 0.000 0.627 379 A CB -0.733 18.279 19.000 0.020 0.000 0.818 379 A HN 0.389 nan 8.150 nan 0.000 0.445 380 A N -0.229 122.591 122.820 -0.001 0.000 1.933 380 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 380 A C 2.501 180.085 177.584 0.001 0.000 1.175 380 A CA 2.099 54.137 52.037 0.002 0.000 0.628 380 A CB -0.985 18.011 19.000 -0.006 0.000 0.814 380 A HN 1.046 nan 8.150 nan 0.000 0.444 381 A N -0.087 122.730 122.820 -0.006 0.000 1.877 381 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 381 A C 2.165 179.754 177.584 0.008 0.000 1.186 381 A CA 1.535 53.569 52.037 -0.005 0.000 0.620 381 A CB -0.661 18.329 19.000 -0.016 0.000 0.822 381 A HN 0.475 nan 8.150 nan 0.000 0.443 382 L N -1.065 120.171 121.223 0.021 0.000 2.083 382 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 382 L C 2.805 179.693 176.870 0.030 0.000 1.083 382 L CA 1.375 56.237 54.840 0.038 0.000 0.752 382 L CB -0.536 41.561 42.059 0.063 0.000 0.899 382 L HN 0.462 nan 8.230 nan 0.000 0.433 383 M N -0.128 119.486 119.600 0.025 0.000 2.213 383 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 383 M C 2.021 178.334 176.300 0.022 0.000 1.062 383 M CA 1.815 57.130 55.300 0.025 0.000 1.105 383 M CB -0.444 32.172 32.600 0.026 0.000 1.385 383 M HN 0.246 nan 8.290 nan 0.000 0.417 384 E N -0.370 119.839 120.200 0.016 0.000 2.112 384 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 384 E C 1.615 178.222 176.600 0.012 0.000 0.979 384 E CA 0.866 57.274 56.400 0.013 0.000 0.814 384 E CB -0.168 29.536 29.700 0.007 0.000 0.762 384 E HN 0.433 nan 8.360 nan 0.000 0.460 385 S N 1.222 116.930 115.700 0.013 0.000 2.710 385 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 385 S C 0.515 175.125 174.600 0.017 0.000 0.948 385 S CA -0.279 57.928 58.200 0.012 0.000 0.949 385 S CB -0.240 62.966 63.200 0.009 0.000 0.778 385 S HN 0.049 nan 8.310 nan 0.000 0.498 386 L N 4.738 125.973 121.223 0.020 0.000 2.410 386 L HA 0.302 4.642 4.340 -0.000 0.000 0.273 386 L C -1.274 175.606 176.870 0.018 0.000 1.144 386 L CA -1.522 53.331 54.840 0.021 0.000 0.863 386 L CB -0.179 41.894 42.059 0.023 0.000 1.140 386 L HN 0.097 nan 8.230 nan 0.000 0.463 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 63.108 63.100 0.014 0.000 0.800 387 P CB 0.000 31.708 31.700 0.013 0.000 0.726