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 2jd0_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV NSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LQVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 11 G C 0.000 174.864 174.900 -0.060 0.000 0.946 11 G CA 0.000 45.077 45.100 -0.039 0.000 0.502 12 R N 0.962 121.437 120.500 -0.041 0.000 2.294 12 R HA 0.710 5.042 4.340 -0.013 0.000 0.319 12 R C -0.375 175.930 176.300 0.007 0.000 0.984 12 R CA -0.505 55.569 56.100 -0.044 0.000 0.861 12 R CB 0.633 30.918 30.300 -0.025 0.000 1.104 12 R HN 0.090 nan 8.270 nan 0.000 0.451 13 L N 5.114 126.362 121.223 0.043 0.000 2.275 13 L HA 0.471 4.803 4.340 -0.013 0.000 0.288 13 L C 0.239 177.202 176.870 0.154 0.000 1.046 13 L CA -0.625 54.292 54.840 0.128 0.000 0.805 13 L CB 1.426 43.623 42.059 0.230 0.000 1.193 13 L HN 0.515 nan 8.230 nan 0.000 0.426 14 R N 2.691 123.251 120.500 0.101 0.000 2.267 14 R HA 0.429 4.761 4.340 -0.013 0.000 0.319 14 R C -0.981 175.364 176.300 0.074 0.000 1.067 14 R CA -0.398 55.751 56.100 0.081 0.000 0.936 14 R CB 1.040 31.371 30.300 0.052 0.000 1.006 14 R HN 0.331 nan 8.270 nan 0.000 0.452 15 V N 4.306 124.260 119.914 0.066 0.000 2.409 15 V HA 0.253 4.365 4.120 -0.013 0.000 0.291 15 V C -0.035 176.063 176.094 0.007 0.000 1.020 15 V CA -0.936 61.382 62.300 0.029 0.000 0.848 15 V CB 1.870 33.693 31.823 0.001 0.000 0.990 15 V HN 0.439 nan 8.190 nan 0.000 0.430 16 V N 5.678 125.588 119.914 -0.007 0.000 2.432 16 V HA 0.359 4.471 4.120 -0.013 0.000 0.275 16 V C 0.011 176.087 176.094 -0.030 0.000 1.043 16 V CA -0.391 61.899 62.300 -0.017 0.000 0.925 16 V CB 1.744 33.551 31.823 -0.027 0.000 0.985 16 V HN 0.642 nan 8.190 nan 0.000 0.466 17 V N 7.179 127.077 119.914 -0.026 0.000 2.328 17 V HA 0.431 4.543 4.120 -0.013 0.000 0.278 17 V C -0.135 175.943 176.094 -0.027 0.000 1.021 17 V CA -0.429 61.851 62.300 -0.033 0.000 0.838 17 V CB 1.264 33.069 31.823 -0.031 0.000 0.999 17 V HN 0.620 nan 8.190 nan 0.000 0.447 18 L N 4.200 125.402 121.223 -0.034 0.000 2.282 18 L HA 0.754 5.086 4.340 -0.013 0.000 0.288 18 L C 1.033 177.888 176.870 -0.024 0.000 1.033 18 L CA -0.396 54.427 54.840 -0.029 0.000 0.807 18 L CB 1.368 43.404 42.059 -0.039 0.000 1.209 18 L HN 0.869 nan 8.230 nan 0.000 0.423 19 G N 1.636 110.430 108.800 -0.011 0.000 2.291 19 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.271 19 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.271 19 G C 0.802 175.698 174.900 -0.006 0.000 1.099 19 G CA 0.384 45.481 45.100 -0.004 0.000 0.919 19 G HN 0.822 nan 8.290 nan 0.000 0.496 20 S N -1.169 114.531 115.700 -0.000 0.000 2.423 20 S HA -0.098 4.364 4.470 -0.013 0.000 0.231 20 S C 2.321 176.918 174.600 -0.005 0.000 1.014 20 S CA 2.096 60.293 58.200 -0.004 0.000 0.965 20 S CB -0.369 62.833 63.200 0.003 0.000 0.785 20 S HN 1.534 nan 8.310 nan 0.000 0.495 21 T N -1.513 113.044 114.554 0.005 0.000 3.081 21 T HA 0.374 4.716 4.350 -0.013 0.000 0.255 21 T C 1.113 175.782 174.700 -0.052 0.000 1.113 21 T CA 0.240 62.336 62.100 -0.007 0.000 1.082 21 T CB -0.450 68.444 68.868 0.042 0.000 0.939 21 T HN 0.452 nan 8.240 nan 0.000 0.506 22 G N 0.626 109.405 108.800 -0.034 0.000 2.553 22 G HA2 0.355 4.307 3.960 -0.013 0.000 0.278 22 G HA3 0.355 4.307 3.960 -0.013 0.000 0.278 22 G C 1.034 175.906 174.900 -0.047 0.000 1.349 22 G CA 0.023 45.093 45.100 -0.049 0.000 1.037 22 G HN 0.183 nan 8.290 nan 0.000 0.508 23 S N -1.223 114.454 115.700 -0.039 0.000 2.353 23 S HA -0.151 4.311 4.470 -0.013 0.000 0.222 23 S C 2.364 176.954 174.600 -0.018 0.000 1.035 23 S CA 1.248 59.434 58.200 -0.022 0.000 1.025 23 S CB -0.345 62.850 63.200 -0.008 0.000 0.902 23 S HN 0.360 nan 8.310 nan 0.000 0.440 24 I N 1.767 122.320 120.570 -0.027 0.000 2.252 24 I HA -0.058 4.104 4.170 -0.013 0.000 0.245 24 I C 2.783 178.879 176.117 -0.035 0.000 1.102 24 I CA 1.473 62.752 61.300 -0.034 0.000 1.385 24 I CB -2.195 35.775 38.000 -0.050 0.000 1.064 24 I HN 0.470 nan 8.210 nan 0.000 0.414 25 G N 1.191 109.971 108.800 -0.034 0.000 2.446 25 G HA2 -0.305 3.647 3.960 -0.013 0.000 0.217 25 G HA3 -0.305 3.647 3.960 -0.013 0.000 0.217 25 G C 1.718 176.602 174.900 -0.028 0.000 1.168 25 G CA 1.901 46.981 45.100 -0.032 0.000 0.771 25 G HN 0.485 nan 8.290 nan 0.000 0.551 26 T N -1.200 113.340 114.554 -0.024 0.000 2.821 26 T HA -0.080 4.262 4.350 -0.013 0.000 0.267 26 T C 2.258 176.950 174.700 -0.013 0.000 1.046 26 T CA 1.559 63.648 62.100 -0.018 0.000 1.139 26 T CB -0.341 68.514 68.868 -0.021 0.000 0.871 26 T HN 0.411 nan 8.240 nan 0.000 0.454 27 Q N 1.044 120.837 119.800 -0.011 0.000 2.119 27 Q HA 0.112 4.444 4.340 -0.013 0.000 0.201 27 Q C 2.798 178.787 176.000 -0.019 0.000 0.972 27 Q CA 1.303 57.104 55.803 -0.004 0.000 0.847 27 Q CB -0.436 28.308 28.738 0.010 0.000 0.903 27 Q HN 0.728 nan 8.270 nan 0.000 0.433 28 A N 0.846 123.642 122.820 -0.039 0.000 1.933 28 A HA -0.132 4.180 4.320 -0.013 0.000 0.218 28 A C 2.016 179.560 177.584 -0.067 0.000 1.175 28 A CA 0.974 52.967 52.037 -0.073 0.000 0.628 28 A CB -0.511 18.436 19.000 -0.089 0.000 0.814 28 A HN 0.275 nan 8.150 nan 0.000 0.444 29 L N -1.102 120.100 121.223 -0.036 0.000 2.156 29 L HA -0.199 4.133 4.340 -0.013 0.000 0.208 29 L C 2.812 179.684 176.870 0.002 0.000 1.095 29 L CA 1.222 56.052 54.840 -0.016 0.000 0.770 29 L CB -0.536 41.519 42.059 -0.007 0.000 0.914 29 L HN 0.492 nan 8.230 nan 0.000 0.439 30 Q N -0.607 119.195 119.800 0.003 0.000 2.079 30 Q HA -0.160 4.172 4.340 -0.013 0.000 0.200 30 Q C 2.354 178.373 176.000 0.031 0.000 0.974 30 Q CA 1.284 57.098 55.803 0.018 0.000 0.840 30 Q CB -0.114 28.633 28.738 0.016 0.000 0.898 30 Q HN 0.323 nan 8.270 nan 0.000 0.430 31 V N 1.025 120.950 119.914 0.018 0.000 2.332 31 V HA -0.275 3.836 4.120 -0.013 0.000 0.248 31 V C 2.084 178.241 176.094 0.105 0.000 1.055 31 V CA 1.702 64.027 62.300 0.042 0.000 1.038 31 V CB -0.438 31.373 31.823 -0.021 0.000 0.651 31 V HN 0.353 nan 8.190 nan 0.000 0.450 32 I N 0.283 120.886 120.570 0.054 0.000 2.315 32 I HA -0.174 3.988 4.170 -0.013 0.000 0.248 32 I C 2.643 178.846 176.117 0.144 0.000 1.117 32 I CA 1.283 62.673 61.300 0.150 0.000 1.404 32 I CB -0.591 37.442 38.000 0.055 0.000 1.071 32 I HN 0.264 nan 8.210 nan 0.000 0.419 33 A N 0.609 123.479 122.820 0.083 0.000 1.902 33 A HA -0.237 4.075 4.320 -0.013 0.000 0.217 33 A C 1.927 179.553 177.584 0.069 0.000 1.181 33 A CA 2.088 54.164 52.037 0.066 0.000 0.623 33 A CB -0.553 18.473 19.000 0.043 0.000 0.818 33 A HN 0.336 nan 8.150 nan 0.000 0.443 34 D N 0.103 120.550 120.400 0.078 0.000 2.224 34 D HA -0.038 4.594 4.640 -0.013 0.000 0.205 34 D C 0.110 176.459 176.300 0.082 0.000 0.965 34 D CA 0.725 54.768 54.000 0.071 0.000 0.852 34 D CB -0.163 40.679 40.800 0.069 0.000 0.947 34 D HN 0.388 nan 8.370 nan 0.000 0.494 35 N N 0.947 119.724 118.700 0.129 0.000 2.818 35 N HA 0.110 4.842 4.740 -0.013 0.000 0.301 35 N C -2.044 173.510 175.510 0.073 0.000 1.821 35 N CA -0.900 52.213 53.050 0.105 0.000 0.930 35 N CB 1.916 40.507 38.487 0.173 0.000 1.263 35 N HN 0.105 nan 8.380 nan 0.000 0.487 36 P HA -0.098 nan 4.420 nan 0.000 0.226 36 P C 0.763 178.052 177.300 -0.019 0.000 1.153 36 P CA 0.961 64.081 63.100 0.034 0.000 0.777 36 P CB 0.351 32.069 31.700 0.030 0.000 0.794 37 D N 0.263 120.633 120.400 -0.051 0.000 2.149 37 D HA -0.183 4.448 4.640 -0.013 0.000 0.198 37 D C 1.804 177.998 176.300 -0.177 0.000 0.990 37 D CA 1.081 55.027 54.000 -0.091 0.000 0.839 37 D CB -0.360 40.390 40.800 -0.084 0.000 0.948 37 D HN 0.182 nan 8.370 nan 0.000 0.460 38 R N -0.501 119.805 120.500 -0.323 0.000 2.167 38 R HA 0.245 4.577 4.340 -0.013 0.000 0.201 38 R C 0.361 176.219 176.300 -0.737 0.000 1.024 38 R CA 0.243 55.923 56.100 -0.700 0.000 1.053 38 R CB 0.391 29.956 30.300 -1.225 0.000 0.987 38 R HN 0.236 nan 8.270 nan 0.000 0.493 39 F N 0.764 120.723 119.950 0.016 0.000 2.588 39 F HA 0.320 4.840 4.527 -0.012 0.000 0.314 39 F C -0.276 175.533 175.800 0.015 0.000 1.069 39 F CA -1.234 56.776 58.000 0.017 0.000 0.931 39 F CB 1.965 40.977 39.000 0.020 0.000 1.260 39 F HN -0.130 nan 8.300 nan 0.000 0.465 40 E N 0.333 120.661 120.200 0.214 0.000 2.292 40 E HA 0.614 4.956 4.350 -0.013 0.000 0.272 40 E C -1.818 174.841 176.600 0.099 0.000 0.881 40 E CA -1.068 55.408 56.400 0.127 0.000 0.754 40 E CB 2.256 32.004 29.700 0.079 0.000 1.201 40 E HN 0.334 nan 8.360 nan 0.000 0.425 41 V N 3.166 123.122 119.914 0.071 0.000 2.521 41 V HA 0.062 4.173 4.120 -0.013 0.000 0.286 41 V C 0.947 177.065 176.094 0.041 0.000 1.034 41 V CA 0.063 62.390 62.300 0.044 0.000 1.045 41 V CB 0.906 32.748 31.823 0.031 0.000 0.974 41 V HN 0.751 nan 8.190 nan 0.000 0.480 42 V N 1.198 121.133 119.914 0.035 0.000 3.432 42 V HA 0.751 4.863 4.120 -0.013 0.000 0.298 42 V C 0.553 176.667 176.094 0.034 0.000 1.464 42 V CA 0.471 62.792 62.300 0.035 0.000 1.046 42 V CB 0.260 32.104 31.823 0.035 0.000 0.887 42 V HN 0.987 nan 8.190 nan 0.000 0.441 43 G N 0.525 109.340 108.800 0.026 0.000 2.733 43 G HA2 0.631 4.582 3.960 -0.013 0.000 0.297 43 G HA3 0.631 4.582 3.960 -0.013 0.000 0.297 43 G C -1.819 173.091 174.900 0.016 0.000 1.452 43 G CA -0.665 44.450 45.100 0.026 0.000 0.940 43 G HN 0.211 nan 8.290 nan 0.000 0.547 44 L N 0.968 122.207 121.223 0.028 0.000 2.385 44 L HA 0.842 5.174 4.340 -0.013 0.000 0.273 44 L C 0.164 177.050 176.870 0.026 0.000 0.990 44 L CA -1.018 53.835 54.840 0.022 0.000 0.821 44 L CB 2.313 44.390 42.059 0.029 0.000 1.279 44 L HN 0.796 nan 8.230 nan 0.000 0.412 45 A N 2.353 125.181 122.820 0.012 0.000 2.371 45 A HA 0.989 5.301 4.320 -0.013 0.000 0.311 45 A C -0.799 176.797 177.584 0.021 0.000 1.068 45 A CA -0.229 51.818 52.037 0.016 0.000 0.744 45 A CB 1.867 20.862 19.000 -0.009 0.000 1.239 45 A HN 0.827 nan 8.150 nan 0.000 0.435 46 A N 0.688 123.529 122.820 0.034 0.000 2.552 46 A HA 0.792 5.103 4.320 -0.013 0.000 0.288 46 A C 0.803 178.411 177.584 0.041 0.000 1.193 46 A CA 0.016 52.076 52.037 0.040 0.000 0.713 46 A CB 0.564 19.594 19.000 0.050 0.000 1.305 46 A HN 1.678 nan 8.150 nan 0.000 0.424 47 G N -1.399 107.428 108.800 0.044 0.000 2.459 47 G HA2 0.423 4.375 3.960 -0.013 0.000 0.213 47 G HA3 0.423 4.375 3.960 -0.013 0.000 0.213 47 G C 1.116 176.031 174.900 0.025 0.000 1.155 47 G CA 1.129 46.249 45.100 0.033 0.000 0.811 47 G HN 2.376 nan 8.290 nan 0.000 0.534 48 G N -1.144 107.668 108.800 0.019 0.000 2.205 48 G HA2 0.095 4.047 3.960 -0.013 0.000 0.180 48 G HA3 0.095 4.047 3.960 -0.013 0.000 0.180 48 G C 1.132 176.002 174.900 -0.050 0.000 1.004 48 G CA 0.797 45.895 45.100 -0.003 0.000 0.670 48 G HN 1.091 nan 8.290 nan 0.000 0.496 49 A N -0.285 122.479 122.820 -0.094 0.000 2.132 49 A HA 0.488 4.800 4.320 -0.013 0.000 0.213 49 A C 0.864 178.157 177.584 -0.485 0.000 1.154 49 A CA 1.329 53.206 52.037 -0.267 0.000 0.753 49 A CB -0.118 18.694 19.000 -0.312 0.000 0.826 49 A HN 0.658 nan 8.150 nan 0.000 0.469 50 H N -0.689 118.381 119.070 0.000 0.000 2.348 50 H HA 0.409 4.961 4.556 -0.006 0.000 0.232 50 H C 0.667 175.993 175.328 -0.002 0.000 1.419 50 H CA -0.392 55.656 56.048 -0.001 0.000 1.416 50 H CB 0.504 30.267 29.762 0.002 0.000 1.510 50 H HN 0.161 nan 8.280 nan 0.000 0.507 51 L N 0.319 121.571 121.223 0.049 0.000 2.141 51 L HA -0.143 4.189 4.340 -0.013 0.000 0.209 51 L C 1.653 178.545 176.870 0.036 0.000 1.094 51 L CA 1.236 56.093 54.840 0.028 0.000 0.763 51 L CB -0.101 41.952 42.059 -0.010 0.000 0.908 51 L HN 0.608 nan 8.230 nan 0.000 0.437 52 D N -1.150 119.277 120.400 0.045 0.000 2.097 52 D HA -0.187 4.445 4.640 -0.013 0.000 0.195 52 D C 1.851 178.174 176.300 0.038 0.000 0.989 52 D CA 1.826 55.848 54.000 0.037 0.000 0.827 52 D CB -0.837 39.986 40.800 0.038 0.000 0.966 52 D HN 0.136 nan 8.370 nan 0.000 0.456 53 T N 0.503 115.089 114.554 0.054 0.000 2.708 53 T HA -0.132 4.210 4.350 -0.013 0.000 0.266 53 T C 1.840 176.560 174.700 0.033 0.000 1.037 53 T CA 1.151 63.272 62.100 0.035 0.000 1.146 53 T CB -0.504 68.380 68.868 0.026 0.000 0.865 53 T HN 0.099 nan 8.240 nan 0.000 0.435 54 L N 0.855 122.105 121.223 0.045 0.000 2.056 54 L HA 0.094 4.426 4.340 -0.013 0.000 0.207 54 L C 2.178 179.065 176.870 0.028 0.000 1.078 54 L CA 1.466 56.328 54.840 0.037 0.000 0.749 54 L CB -0.675 41.410 42.059 0.044 0.000 0.901 54 L HN 0.237 nan 8.230 nan 0.000 0.433 55 L N -0.825 120.413 121.223 0.025 0.000 2.046 55 L HA -0.202 4.130 4.340 -0.013 0.000 0.208 55 L C 2.774 179.654 176.870 0.017 0.000 1.077 55 L CA 1.477 56.328 54.840 0.018 0.000 0.747 55 L CB -0.597 41.470 42.059 0.013 0.000 0.896 55 L HN 0.312 nan 8.230 nan 0.000 0.432 56 R N 0.149 120.660 120.500 0.018 0.000 2.081 56 R HA -0.188 4.144 4.340 -0.013 0.000 0.235 56 R C 2.325 178.635 176.300 0.015 0.000 1.131 56 R CA 1.491 57.600 56.100 0.015 0.000 0.960 56 R CB -0.022 30.287 30.300 0.014 0.000 0.856 56 R HN 0.446 nan 8.270 nan 0.000 0.436 57 Q N -0.545 119.265 119.800 0.017 0.000 2.123 57 Q HA -0.160 4.172 4.340 -0.013 0.000 0.199 57 Q C 2.163 178.175 176.000 0.020 0.000 0.966 57 Q CA 1.345 57.158 55.803 0.017 0.000 0.845 57 Q CB -0.111 28.637 28.738 0.017 0.000 0.907 57 Q HN 0.279 nan 8.270 nan 0.000 0.439 58 R N 0.704 121.217 120.500 0.021 0.000 2.073 58 R HA -0.158 4.174 4.340 -0.013 0.000 0.234 58 R C 2.148 178.460 176.300 0.019 0.000 1.134 58 R CA 1.440 57.553 56.100 0.022 0.000 0.952 58 R CB -0.273 30.041 30.300 0.023 0.000 0.850 58 R HN 0.232 nan 8.270 nan 0.000 0.433 59 A N 0.398 123.228 122.820 0.017 0.000 1.930 59 A HA -0.176 4.136 4.320 -0.013 0.000 0.217 59 A C 2.046 179.639 177.584 0.015 0.000 1.175 59 A CA 1.384 53.430 52.037 0.015 0.000 0.627 59 A CB -0.361 18.647 19.000 0.013 0.000 0.815 59 A HN 0.514 nan 8.150 nan 0.000 0.443 60 Q N -0.910 118.899 119.800 0.016 0.000 2.096 60 Q HA -0.094 4.238 4.340 -0.013 0.000 0.197 60 Q C 2.318 178.330 176.000 0.019 0.000 0.964 60 Q CA 1.864 57.677 55.803 0.017 0.000 0.838 60 Q CB -0.230 28.518 28.738 0.016 0.000 0.906 60 Q HN 0.861 nan 8.270 nan 0.000 0.444 61 T N -3.606 110.960 114.554 0.021 0.000 3.014 61 T HA 0.140 4.482 4.350 -0.013 0.000 0.263 61 T C 1.479 176.194 174.700 0.025 0.000 1.078 61 T CA 0.678 62.792 62.100 0.025 0.000 1.135 61 T CB 0.150 69.033 68.868 0.026 0.000 0.895 61 T HN 0.442 nan 8.240 nan 0.000 0.480 62 G N 0.725 109.538 108.800 0.023 0.000 2.143 62 G HA2 -0.204 3.748 3.960 -0.013 0.000 0.248 62 G HA3 -0.204 3.748 3.960 -0.013 0.000 0.248 62 G C 0.022 174.937 174.900 0.025 0.000 0.991 62 G CA 0.016 45.130 45.100 0.022 0.000 0.689 62 G HN 0.723 nan 8.290 nan 0.000 0.522 63 V N 1.471 121.401 119.914 0.028 0.000 2.406 63 V HA 0.533 4.645 4.120 -0.013 0.000 0.272 63 V C 1.540 177.655 176.094 0.035 0.000 1.043 63 V CA 0.757 63.076 62.300 0.033 0.000 0.915 63 V CB 1.302 33.146 31.823 0.035 0.000 0.988 63 V HN 0.670 nan 8.190 nan 0.000 0.466 64 T N 0.507 115.083 114.554 0.037 0.000 3.001 64 T HA 0.059 4.400 4.350 -0.013 0.000 0.251 64 T C 0.918 175.650 174.700 0.053 0.000 1.040 64 T CA -0.090 62.032 62.100 0.037 0.000 0.985 64 T CB -0.236 68.647 68.868 0.024 0.000 1.011 64 T HN 0.412 nan 8.240 nan 0.000 0.509 65 N N 2.033 120.775 118.700 0.070 0.000 2.605 65 N HA 0.218 4.950 4.740 -0.013 0.000 0.282 65 N C -1.059 174.537 175.510 0.143 0.000 1.206 65 N CA -0.185 52.937 53.050 0.120 0.000 1.074 65 N CB -0.879 37.675 38.487 0.113 0.000 1.434 65 N HN 0.554 nan 8.380 nan 0.000 0.506 66 I N 1.051 121.719 120.570 0.163 0.000 2.545 66 I HA 0.500 4.662 4.170 -0.013 0.000 0.292 66 I C -0.253 175.992 176.117 0.213 0.000 1.040 66 I CA -1.194 60.192 61.300 0.143 0.000 1.068 66 I CB 1.994 40.047 38.000 0.089 0.000 1.251 66 I HN 0.271 nan 8.210 nan 0.000 0.424 67 A N 6.002 128.920 122.820 0.162 0.000 2.317 67 A HA 0.854 5.166 4.320 -0.013 0.000 0.327 67 A C -0.898 176.751 177.584 0.108 0.000 1.178 67 A CA -0.498 51.637 52.037 0.163 0.000 0.817 67 A CB 1.393 20.434 19.000 0.068 0.000 1.189 67 A HN 0.442 nan 8.150 nan 0.000 0.489 68 V N 2.155 122.143 119.914 0.122 0.000 2.569 68 V HA 0.464 4.576 4.120 -0.013 0.000 0.301 68 V C 1.025 177.178 176.094 0.098 0.000 1.044 68 V CA 0.092 62.448 62.300 0.094 0.000 0.874 68 V CB 1.122 32.997 31.823 0.086 0.000 1.002 68 V HN 1.219 nan 8.190 nan 0.000 0.424 69 A N 2.915 125.776 122.820 0.067 0.000 1.855 69 A HA -0.074 4.238 4.320 -0.013 0.000 0.215 69 A C 1.192 178.817 177.584 0.069 0.000 1.191 69 A CA 1.253 53.326 52.037 0.060 0.000 0.613 69 A CB -0.215 18.808 19.000 0.037 0.000 0.829 69 A HN 0.808 nan 8.150 nan 0.000 0.442 70 D N 0.217 120.651 120.400 0.057 0.000 2.382 70 D HA 0.031 4.663 4.640 -0.013 0.000 0.259 70 D C 0.713 177.059 176.300 0.077 0.000 1.224 70 D CA 0.038 54.073 54.000 0.059 0.000 0.894 70 D CB 0.567 41.391 40.800 0.040 0.000 1.127 70 D HN 0.304 nan 8.370 nan 0.000 0.487 71 E N 2.677 122.931 120.200 0.090 0.000 2.077 71 E HA -0.227 4.115 4.350 -0.013 0.000 0.193 71 E C 1.413 178.062 176.600 0.082 0.000 0.989 71 E CA 0.940 57.391 56.400 0.085 0.000 0.800 71 E CB -0.120 29.628 29.700 0.080 0.000 0.746 71 E HN 0.629 nan 8.360 nan 0.000 0.452 72 H N 0.760 119.819 119.070 -0.018 0.000 2.326 72 H HA 0.023 4.572 4.556 -0.013 0.000 0.301 72 H C 1.847 177.158 175.328 -0.028 0.000 1.081 72 H CA 1.879 57.910 56.048 -0.027 0.000 1.334 72 H CB -0.261 29.489 29.762 -0.020 0.000 1.385 72 H HN 0.117 nan 8.280 nan 0.000 0.504 73 A N 0.590 123.376 122.820 -0.057 0.000 1.972 73 A HA -0.030 4.282 4.320 -0.013 0.000 0.219 73 A C 2.611 180.155 177.584 -0.067 0.000 1.169 73 A CA 1.718 53.688 52.037 -0.110 0.000 0.635 73 A CB -1.124 17.842 19.000 -0.056 0.000 0.810 73 A HN 0.572 nan 8.150 nan 0.000 0.446 74 A N -1.048 121.758 122.820 -0.023 0.000 1.930 74 A HA -0.125 4.187 4.320 -0.013 0.000 0.217 74 A C 2.125 179.665 177.584 -0.073 0.000 1.175 74 A CA 1.919 53.945 52.037 -0.019 0.000 0.627 74 A CB -0.449 18.570 19.000 0.031 0.000 0.815 74 A HN 0.534 nan 8.150 nan 0.000 0.443 75 Q N -0.169 119.579 119.800 -0.086 0.000 2.020 75 Q HA -0.170 4.162 4.340 -0.013 0.000 0.202 75 Q C 2.201 178.156 176.000 -0.074 0.000 0.982 75 Q CA 2.139 57.894 55.803 -0.080 0.000 0.838 75 Q CB -0.300 28.434 28.738 -0.006 0.000 0.899 75 Q HN 0.583 nan 8.270 nan 0.000 0.423 76 R N -1.145 119.286 120.500 -0.115 0.000 2.154 76 R HA -0.159 4.173 4.340 -0.013 0.000 0.248 76 R C 1.838 178.092 176.300 -0.078 0.000 1.155 76 R CA 1.618 57.640 56.100 -0.130 0.000 0.979 76 R CB -0.158 30.012 30.300 -0.216 0.000 0.869 76 R HN 0.235 nan 8.270 nan 0.000 0.452 77 V N -0.737 119.140 119.914 -0.062 0.000 2.599 77 V HA 0.209 4.321 4.120 -0.013 0.000 0.245 77 V C 0.998 177.075 176.094 -0.029 0.000 1.046 77 V CA 0.852 63.131 62.300 -0.036 0.000 1.065 77 V CB -0.288 31.523 31.823 -0.020 0.000 0.703 77 V HN 0.689 nan 8.190 nan 0.000 0.464 78 G N 0.590 109.368 108.800 -0.037 0.000 2.801 78 G HA2 -0.134 3.818 3.960 -0.013 0.000 0.686 78 G HA3 -0.134 3.818 3.960 -0.013 0.000 0.686 78 G C 0.080 174.970 174.900 -0.016 0.000 1.507 78 G CA 0.193 45.273 45.100 -0.033 0.000 0.980 78 G HN 0.435 nan 8.290 nan 0.000 0.589 79 D N -1.902 118.490 120.400 -0.014 0.000 2.911 79 D HA -0.188 4.444 4.640 -0.013 0.000 0.199 79 D C 0.922 177.226 176.300 0.008 0.000 1.041 79 D CA 1.362 55.359 54.000 -0.004 0.000 1.013 79 D CB -0.863 39.935 40.800 -0.004 0.000 1.093 79 D HN 0.768 nan 8.370 nan 0.000 0.431 80 I N 2.180 122.768 120.570 0.030 0.000 2.581 80 I HA 0.032 4.194 4.170 -0.013 0.000 0.285 80 I C -0.720 175.438 176.117 0.069 0.000 1.129 80 I CA -1.019 60.322 61.300 0.068 0.000 1.397 80 I CB 0.245 38.307 38.000 0.104 0.000 1.399 80 I HN -0.016 nan 8.210 nan 0.000 0.537 81 P HA -0.094 nan 4.420 nan 0.000 0.223 81 P C -0.465 176.443 177.300 -0.652 0.000 1.151 81 P CA 1.224 64.112 63.100 -0.354 0.000 0.787 81 P CB 0.190 31.608 31.700 -0.470 0.000 0.788 82 Y N 0.691 120.987 120.300 -0.008 0.000 2.346 82 Y HA 0.387 4.929 4.550 -0.014 0.000 0.332 82 Y C 0.795 176.670 175.900 -0.043 0.000 0.985 82 Y CA -0.998 57.035 58.100 -0.112 0.000 1.112 82 Y CB 1.361 39.783 38.460 -0.063 0.000 1.170 82 Y HN 0.026 nan 8.280 nan 0.000 0.447 83 H N 0.876 120.024 119.070 0.129 0.000 2.961 83 H HA 0.857 5.405 4.556 -0.014 0.000 0.371 83 H C 0.013 175.383 175.328 0.070 0.000 1.190 83 H CA -1.205 54.891 56.048 0.080 0.000 1.138 83 H CB 2.059 31.848 29.762 0.045 0.000 1.816 83 H HN 0.916 nan 8.280 nan 0.000 0.551 84 G N 0.437 109.345 108.800 0.179 0.000 2.525 84 G HA2 -0.222 3.730 3.960 -0.013 0.000 0.685 84 G HA3 -0.222 3.730 3.960 -0.013 0.000 0.685 84 G C 0.657 175.594 174.900 0.063 0.000 1.290 84 G CA 0.088 45.253 45.100 0.108 0.000 0.915 84 G HN 1.088 nan 8.290 nan 0.000 0.548 85 S N -0.981 114.744 115.700 0.043 0.000 2.474 85 S HA -0.029 4.433 4.470 -0.013 0.000 0.235 85 S C 1.365 175.971 174.600 0.010 0.000 0.997 85 S CA 2.054 60.269 58.200 0.024 0.000 0.949 85 S CB -0.078 63.132 63.200 0.017 0.000 0.766 85 S HN 1.324 nan 8.310 nan 0.000 0.517 86 D N 0.528 120.933 120.400 0.008 0.000 2.402 86 D HA 0.462 5.094 4.640 -0.013 0.000 0.216 86 D C 1.441 177.728 176.300 -0.021 0.000 1.128 86 D CA 0.340 54.334 54.000 -0.010 0.000 0.833 86 D CB -0.045 40.749 40.800 -0.010 0.000 0.971 86 D HN 0.370 nan 8.370 nan 0.000 0.503 87 A N 1.074 123.895 122.820 0.002 0.000 1.877 87 A HA 0.074 4.386 4.320 -0.013 0.000 0.216 87 A C 2.381 179.916 177.584 -0.083 0.000 1.186 87 A CA 1.967 54.013 52.037 0.015 0.000 0.620 87 A CB -0.884 18.167 19.000 0.084 0.000 0.822 87 A HN 0.362 nan 8.150 nan 0.000 0.443 88 A N -0.951 121.832 122.820 -0.061 0.000 1.898 88 A HA -0.064 4.247 4.320 -0.013 0.000 0.216 88 A C 2.305 179.810 177.584 -0.131 0.000 1.181 88 A CA 2.268 54.251 52.037 -0.090 0.000 0.620 88 A CB -1.270 17.701 19.000 -0.049 0.000 0.819 88 A HN 0.450 nan 8.150 nan 0.000 0.442 89 T N -0.287 114.203 114.554 -0.105 0.000 2.746 89 T HA -0.140 4.202 4.350 -0.013 0.000 0.267 89 T C 2.058 176.666 174.700 -0.154 0.000 1.039 89 T CA 1.517 63.554 62.100 -0.105 0.000 1.142 89 T CB -0.233 68.594 68.868 -0.068 0.000 0.866 89 T HN 0.486 nan 8.240 nan 0.000 0.444 90 R N 0.217 120.601 120.500 -0.194 0.000 2.092 90 R HA 0.063 4.395 4.340 -0.013 0.000 0.231 90 R C 2.461 178.412 176.300 -0.582 0.000 1.119 90 R CA 0.801 56.740 56.100 -0.268 0.000 0.970 90 R CB -0.590 29.625 30.300 -0.140 0.000 0.864 90 R HN 0.260 nan 8.270 nan 0.000 0.440 91 L N 0.775 121.505 121.223 -0.822 0.000 2.012 91 L HA -0.199 4.133 4.340 -0.013 0.000 0.210 91 L C 2.093 178.743 176.870 -0.366 0.000 1.073 91 L CA 1.597 55.934 54.840 -0.838 0.000 0.748 91 L CB -0.278 41.470 42.059 -0.518 0.000 0.891 91 L HN -0.089 nan 8.230 nan 0.000 0.431 92 V N -0.229 119.541 119.914 -0.241 0.000 2.295 92 V HA -0.296 3.816 4.120 -0.013 0.000 0.246 92 V C 2.462 178.488 176.094 -0.113 0.000 1.049 92 V CA 2.157 64.374 62.300 -0.138 0.000 1.024 92 V CB -0.711 31.048 31.823 -0.106 0.000 0.648 92 V HN 0.518 nan 8.190 nan 0.000 0.447 93 E N -0.300 119.826 120.200 -0.124 0.000 2.153 93 E HA -0.242 4.100 4.350 -0.013 0.000 0.194 93 E C 1.868 178.432 176.600 -0.060 0.000 0.988 93 E CA 1.177 57.528 56.400 -0.081 0.000 0.811 93 E CB -0.064 29.592 29.700 -0.074 0.000 0.746 93 E HN 0.661 nan 8.360 nan 0.000 0.466 94 Q N -0.296 119.454 119.800 -0.083 0.000 2.179 94 Q HA 0.119 4.451 4.340 -0.013 0.000 0.213 94 Q C -0.682 175.324 176.000 0.011 0.000 0.833 94 Q CA 0.042 55.839 55.803 -0.010 0.000 0.990 94 Q CB 1.553 30.330 28.738 0.065 0.000 1.132 94 Q HN -0.039 nan 8.270 nan 0.000 0.493 95 T N 0.902 115.441 114.554 -0.025 0.000 2.786 95 T HA 0.241 4.583 4.350 -0.013 0.000 0.283 95 T C -0.469 174.230 174.700 -0.002 0.000 0.992 95 T CA -0.590 61.509 62.100 -0.000 0.000 0.954 95 T CB 1.666 70.527 68.868 -0.011 0.000 0.934 95 T HN 0.047 nan 8.240 nan 0.000 0.440 96 E N 1.824 122.031 120.200 0.011 0.000 2.324 96 E HA 0.502 4.844 4.350 -0.013 0.000 0.271 96 E C -0.291 176.317 176.600 0.014 0.000 1.028 96 E CA -0.257 56.150 56.400 0.011 0.000 0.890 96 E CB 0.763 30.472 29.700 0.015 0.000 1.004 96 E HN 0.755 nan 8.360 nan 0.000 0.431 97 A N 3.296 126.123 122.820 0.011 0.000 2.610 97 A HA 0.288 4.600 4.320 -0.013 0.000 0.291 97 A C -0.469 177.128 177.584 0.022 0.000 1.086 97 A CA -0.720 51.327 52.037 0.018 0.000 0.677 97 A CB 1.374 20.380 19.000 0.009 0.000 1.278 97 A HN 0.589 nan 8.150 nan 0.000 0.414 98 D N -0.631 119.791 120.400 0.036 0.000 2.380 98 D HA 0.233 4.865 4.640 -0.013 0.000 0.212 98 D C -0.072 176.254 176.300 0.043 0.000 1.021 98 D CA 1.178 55.205 54.000 0.043 0.000 0.884 98 D CB 0.947 41.785 40.800 0.063 0.000 1.001 98 D HN 0.234 nan 8.370 nan 0.000 0.506 99 V N 1.625 121.562 119.914 0.039 0.000 2.623 99 V HA 0.274 4.385 4.120 -0.013 0.000 0.304 99 V C -0.329 175.763 176.094 -0.005 0.000 1.054 99 V CA -0.862 61.452 62.300 0.023 0.000 0.882 99 V CB 2.838 34.685 31.823 0.040 0.000 1.002 99 V HN -0.260 nan 8.190 nan 0.000 0.424 100 V N 5.572 125.473 119.914 -0.022 0.000 2.328 100 V HA 0.387 4.499 4.120 -0.013 0.000 0.278 100 V C -0.217 175.847 176.094 -0.049 0.000 1.021 100 V CA -0.484 61.794 62.300 -0.037 0.000 0.838 100 V CB 1.486 33.284 31.823 -0.042 0.000 0.999 100 V HN 0.697 nan 8.190 nan 0.000 0.447 101 L N 5.469 126.660 121.223 -0.055 0.000 2.342 101 L HA 0.438 4.770 4.340 -0.013 0.000 0.285 101 L C 0.264 177.099 176.870 -0.058 0.000 1.095 101 L CA 0.428 55.230 54.840 -0.064 0.000 0.843 101 L CB 0.406 42.420 42.059 -0.076 0.000 1.201 101 L HN 0.601 nan 8.230 nan 0.000 0.445 102 N N 4.346 123.010 118.700 -0.061 0.000 2.469 102 N HA 0.385 5.117 4.740 -0.013 0.000 0.239 102 N C -0.077 175.399 175.510 -0.056 0.000 1.053 102 N CA 0.261 53.277 53.050 -0.057 0.000 0.937 102 N CB 1.359 39.809 38.487 -0.061 0.000 1.163 102 N HN 0.684 nan 8.380 nan 0.000 0.509 103 A N 4.615 127.406 122.820 -0.048 0.000 2.637 103 A HA 0.302 4.614 4.320 -0.013 0.000 0.293 103 A C 0.436 178.000 177.584 -0.035 0.000 1.216 103 A CA -0.382 51.627 52.037 -0.046 0.000 0.956 103 A CB -0.171 18.801 19.000 -0.046 0.000 1.174 103 A HN 0.578 nan 8.150 nan 0.000 0.525 104 L N -0.573 120.630 121.223 -0.032 0.000 2.464 104 L HA 0.334 4.666 4.340 -0.013 0.000 0.264 104 L C 0.318 177.174 176.870 -0.023 0.000 1.199 104 L CA -0.289 54.537 54.840 -0.023 0.000 0.818 104 L CB 1.046 43.091 42.059 -0.023 0.000 1.102 104 L HN 0.065 nan 8.230 nan 0.000 0.473 105 V N 1.270 121.176 119.914 -0.014 0.000 2.547 105 V HA 0.802 4.914 4.120 -0.013 0.000 0.299 105 V C 0.522 176.609 176.094 -0.012 0.000 1.040 105 V CA 0.653 62.946 62.300 -0.012 0.000 0.913 105 V CB 1.034 32.855 31.823 -0.003 0.000 0.992 105 V HN 1.000 nan 8.190 nan 0.000 0.449 106 G N 4.823 113.614 108.800 -0.014 0.000 2.642 106 G HA2 -0.004 3.948 3.960 -0.013 0.000 0.231 106 G HA3 -0.004 3.948 3.960 -0.013 0.000 0.231 106 G C 0.919 175.808 174.900 -0.019 0.000 1.338 106 G CA 0.042 45.133 45.100 -0.014 0.000 0.883 106 G HN 1.909 nan 8.290 nan 0.000 0.570 107 A N -0.845 121.963 122.820 -0.020 0.000 2.015 107 A HA 0.222 4.534 4.320 -0.013 0.000 0.219 107 A C 2.516 180.086 177.584 -0.024 0.000 1.163 107 A CA 2.746 54.769 52.037 -0.024 0.000 0.646 107 A CB -0.544 18.440 19.000 -0.027 0.000 0.806 107 A HN 1.935 nan 8.150 nan 0.000 0.448 108 L N -2.093 119.118 121.223 -0.020 0.000 2.633 108 L HA 0.220 4.552 4.340 -0.013 0.000 0.235 108 L C 1.705 178.561 176.870 -0.024 0.000 1.163 108 L CA 1.381 56.209 54.840 -0.019 0.000 0.859 108 L CB -1.222 40.830 42.059 -0.012 0.000 0.973 108 L HN 0.078 nan 8.230 nan 0.000 0.451 109 G N -0.458 108.326 108.800 -0.028 0.000 2.777 109 G HA2 -0.036 3.916 3.960 -0.013 0.000 0.211 109 G HA3 -0.036 3.916 3.960 -0.013 0.000 0.211 109 G C 1.313 176.189 174.900 -0.040 0.000 1.149 109 G CA 0.433 45.512 45.100 -0.035 0.000 0.785 109 G HN 0.359 nan 8.290 nan 0.000 0.536 110 L N 0.671 121.872 121.223 -0.036 0.000 2.005 110 L HA 0.151 4.483 4.340 -0.013 0.000 0.207 110 L C 2.799 179.646 176.870 -0.039 0.000 1.072 110 L CA 1.643 56.460 54.840 -0.038 0.000 0.744 110 L CB -0.468 41.571 42.059 -0.034 0.000 0.895 110 L HN 0.080 nan 8.230 nan 0.000 0.433 111 R N -0.405 120.074 120.500 -0.036 0.000 2.081 111 R HA -0.098 4.234 4.340 -0.013 0.000 0.235 111 R C -0.327 175.946 176.300 -0.044 0.000 1.131 111 R CA 1.692 57.770 56.100 -0.037 0.000 0.960 111 R CB -1.630 28.651 30.300 -0.032 0.000 0.856 111 R HN 0.415 nan 8.270 nan 0.000 0.436 112 P HA -0.063 nan 4.420 nan 0.000 0.220 112 P C 0.938 178.204 177.300 -0.056 0.000 1.148 112 P CA 1.288 64.354 63.100 -0.056 0.000 0.803 112 P CB 0.052 31.719 31.700 -0.056 0.000 0.782 113 T N -0.509 114.013 114.554 -0.053 0.000 2.737 113 T HA -0.043 4.299 4.350 -0.013 0.000 0.265 113 T C 1.683 176.350 174.700 -0.054 0.000 1.038 113 T CA 1.029 63.094 62.100 -0.057 0.000 1.144 113 T CB -0.770 68.062 68.868 -0.060 0.000 0.866 113 T HN 0.045 nan 8.240 nan 0.000 0.434 114 L N 0.658 121.852 121.223 -0.049 0.000 2.056 114 L HA -0.032 4.300 4.340 -0.013 0.000 0.207 114 L C 3.028 179.872 176.870 -0.043 0.000 1.078 114 L CA 1.117 55.931 54.840 -0.044 0.000 0.749 114 L CB -0.647 41.389 42.059 -0.038 0.000 0.901 114 L HN 0.221 nan 8.230 nan 0.000 0.433 115 A N 0.197 122.989 122.820 -0.046 0.000 1.883 115 A HA -0.249 4.063 4.320 -0.013 0.000 0.217 115 A C 2.524 180.079 177.584 -0.048 0.000 1.186 115 A CA 2.036 54.044 52.037 -0.048 0.000 0.624 115 A CB -0.785 18.180 19.000 -0.058 0.000 0.822 115 A HN 0.422 nan 8.150 nan 0.000 0.444 116 A N -0.322 122.468 122.820 -0.051 0.000 1.877 116 A HA -0.040 4.272 4.320 -0.013 0.000 0.216 116 A C 2.185 179.744 177.584 -0.043 0.000 1.186 116 A CA 1.495 53.503 52.037 -0.048 0.000 0.620 116 A CB -0.688 18.280 19.000 -0.053 0.000 0.822 116 A HN 0.478 nan 8.150 nan 0.000 0.443 117 L N -0.594 120.602 121.223 -0.046 0.000 2.043 117 L HA -0.252 4.080 4.340 -0.013 0.000 0.212 117 L C 2.573 179.422 176.870 -0.035 0.000 1.075 117 L CA 1.877 56.691 54.840 -0.044 0.000 0.752 117 L CB -0.492 41.538 42.059 -0.050 0.000 0.891 117 L HN 0.375 nan 8.230 nan 0.000 0.432 118 K N -0.459 119.921 120.400 -0.033 0.000 2.211 118 K HA -0.171 4.141 4.320 -0.013 0.000 0.204 118 K C 2.064 178.650 176.600 -0.023 0.000 1.047 118 K CA 1.870 58.140 56.287 -0.027 0.000 0.935 118 K CB -0.262 32.222 32.500 -0.027 0.000 0.728 118 K HN 0.530 nan 8.250 nan 0.000 0.452 119 T N -3.341 111.198 114.554 -0.025 0.000 3.023 119 T HA 0.064 4.406 4.350 -0.013 0.000 0.266 119 T C 1.560 176.251 174.700 -0.013 0.000 1.093 119 T CA 1.014 63.103 62.100 -0.020 0.000 1.129 119 T CB 0.187 69.041 68.868 -0.023 0.000 0.899 119 T HN 0.370 nan 8.240 nan 0.000 0.491 120 G N 1.253 110.044 108.800 -0.015 0.000 2.234 120 G HA2 -0.045 3.907 3.960 -0.013 0.000 0.235 120 G HA3 -0.045 3.907 3.960 -0.013 0.000 0.235 120 G C 0.419 175.315 174.900 -0.006 0.000 0.997 120 G CA -0.063 45.031 45.100 -0.009 0.000 0.623 120 G HN 1.203 nan 8.290 nan 0.000 0.514 121 A N 0.465 123.281 122.820 -0.007 0.000 2.466 121 A HA 0.578 4.889 4.320 -0.013 0.000 0.238 121 A C 0.908 178.488 177.584 -0.006 0.000 1.074 121 A CA 0.961 52.997 52.037 -0.002 0.000 0.774 121 A CB 0.086 19.082 19.000 -0.006 0.000 1.015 121 A HN 1.268 nan 8.150 nan 0.000 0.498 122 R N 0.931 121.435 120.500 0.007 0.000 2.522 122 R HA 0.232 4.564 4.340 -0.013 0.000 0.284 122 R C -0.789 175.495 176.300 -0.025 0.000 1.032 122 R CA -0.282 55.817 56.100 -0.002 0.000 1.049 122 R CB 0.077 30.397 30.300 0.033 0.000 0.956 122 R HN 0.537 nan 8.270 nan 0.000 0.422 123 L N 5.007 126.199 121.223 -0.053 0.000 2.259 123 L HA 0.386 4.718 4.340 -0.013 0.000 0.288 123 L C -0.709 176.109 176.870 -0.087 0.000 1.051 123 L CA -0.012 54.787 54.840 -0.069 0.000 0.824 123 L CB 0.958 42.968 42.059 -0.082 0.000 1.206 123 L HN 0.788 nan 8.230 nan 0.000 0.429 124 A N 5.699 128.475 122.820 -0.074 0.000 2.310 124 A HA 0.501 4.813 4.320 -0.013 0.000 0.300 124 A C -0.741 176.789 177.584 -0.090 0.000 1.269 124 A CA -0.395 51.592 52.037 -0.083 0.000 0.909 124 A CB -0.035 18.925 19.000 -0.067 0.000 1.144 124 A HN 0.651 nan 8.150 nan 0.000 0.540 125 L N 3.528 124.686 121.223 -0.108 0.000 2.277 125 L HA 0.612 4.944 4.340 -0.013 0.000 0.284 125 L C 0.881 177.694 176.870 -0.095 0.000 1.028 125 L CA 0.333 55.109 54.840 -0.107 0.000 0.835 125 L CB 1.063 43.041 42.059 -0.135 0.000 1.215 125 L HN 0.709 nan 8.230 nan 0.000 0.425 126 A N 3.940 126.713 122.820 -0.079 0.000 1.924 126 A HA 0.046 4.358 4.320 -0.013 0.000 0.211 126 A C 1.082 178.627 177.584 -0.065 0.000 1.198 126 A CA 0.139 52.134 52.037 -0.071 0.000 0.657 126 A CB -0.339 18.619 19.000 -0.069 0.000 0.852 126 A HN 0.740 nan 8.150 nan 0.000 0.454 127 N N 1.185 119.848 118.700 -0.062 0.000 2.411 127 N HA -0.061 4.671 4.740 -0.013 0.000 0.282 127 N C 0.684 176.159 175.510 -0.058 0.000 1.322 127 N CA 0.620 53.637 53.050 -0.054 0.000 0.943 127 N CB 0.518 38.975 38.487 -0.050 0.000 1.266 127 N HN 0.601 nan 8.380 nan 0.000 0.486 128 K N 3.036 123.409 120.400 -0.046 0.000 2.137 128 K HA -0.058 4.254 4.320 -0.013 0.000 0.202 128 K C 1.103 177.683 176.600 -0.033 0.000 1.052 128 K CA 0.817 57.078 56.287 -0.043 0.000 0.961 128 K CB 0.052 32.544 32.500 -0.013 0.000 0.741 128 K HN 0.325 nan 8.250 nan 0.000 0.452 129 E N 1.889 122.076 120.200 -0.022 0.000 2.130 129 E HA -0.213 4.129 4.350 -0.013 0.000 0.196 129 E C 2.145 178.730 176.600 -0.025 0.000 0.998 129 E CA 1.909 58.301 56.400 -0.013 0.000 0.806 129 E CB -0.306 29.385 29.700 -0.014 0.000 0.738 129 E HN 0.531 nan 8.360 nan 0.000 0.459 130 S N 0.227 115.903 115.700 -0.039 0.000 2.383 130 S HA -0.107 4.355 4.470 -0.013 0.000 0.227 130 S C 2.003 176.571 174.600 -0.053 0.000 1.026 130 S CA 0.709 58.881 58.200 -0.047 0.000 0.981 130 S CB -0.373 62.795 63.200 -0.054 0.000 0.818 130 S HN 0.199 nan 8.310 nan 0.000 0.472 131 L N 0.805 121.988 121.223 -0.067 0.000 2.068 131 L HA 0.000 4.332 4.340 -0.013 0.000 0.204 131 L C 2.714 179.557 176.870 -0.044 0.000 1.076 131 L CA 0.965 55.759 54.840 -0.077 0.000 0.753 131 L CB -0.486 41.499 42.059 -0.125 0.000 0.910 131 L HN 0.251 nan 8.230 nan 0.000 0.439 132 V N 0.214 120.112 119.914 -0.025 0.000 2.231 132 V HA -0.352 3.760 4.120 -0.013 0.000 0.248 132 V C 2.647 178.752 176.094 0.017 0.000 1.054 132 V CA 2.172 64.479 62.300 0.011 0.000 1.015 132 V CB -0.895 30.951 31.823 0.038 0.000 0.638 132 V HN 0.537 nan 8.190 nan 0.000 0.444 133 A N -0.026 122.798 122.820 0.005 0.000 1.898 133 A HA 0.081 4.393 4.320 -0.013 0.000 0.214 133 A C 2.390 179.966 177.584 -0.013 0.000 1.183 133 A CA 1.454 53.490 52.037 -0.003 0.000 0.622 133 A CB -1.145 17.847 19.000 -0.014 0.000 0.824 133 A HN 0.530 nan 8.150 nan 0.000 0.444 134 G N -0.794 107.993 108.800 -0.021 0.000 2.432 134 G HA2 0.227 4.179 3.960 -0.013 0.000 0.219 134 G HA3 0.227 4.179 3.960 -0.013 0.000 0.219 134 G C 1.419 176.308 174.900 -0.018 0.000 1.135 134 G CA 1.087 46.172 45.100 -0.025 0.000 0.767 134 G HN 1.469 nan 8.290 nan 0.000 0.550 135 G N 0.170 108.962 108.800 -0.014 0.000 2.672 135 G HA2 -0.363 3.589 3.960 -0.013 0.000 0.324 135 G HA3 -0.363 3.589 3.960 -0.013 0.000 0.324 135 G C 1.743 176.634 174.900 -0.015 0.000 1.286 135 G CA 2.328 47.428 45.100 -0.001 0.000 1.004 135 G HN 1.452 nan 8.290 nan 0.000 0.548 136 S N 0.124 115.823 115.700 -0.002 0.000 2.481 136 S HA 0.158 4.620 4.470 -0.013 0.000 0.231 136 S C 2.392 176.980 174.600 -0.019 0.000 0.996 136 S CA 1.479 59.672 58.200 -0.012 0.000 0.942 136 S CB 0.006 63.207 63.200 0.002 0.000 0.768 136 S HN 0.717 nan 8.310 nan 0.000 0.520 137 L N 1.071 122.285 121.223 -0.015 0.000 2.017 137 L HA -0.061 4.270 4.340 -0.013 0.000 0.208 137 L C 2.457 179.308 176.870 -0.031 0.000 1.073 137 L CA 1.440 56.269 54.840 -0.019 0.000 0.745 137 L CB -0.424 41.626 42.059 -0.015 0.000 0.894 137 L HN 0.282 nan 8.230 nan 0.000 0.432 138 V N 0.062 119.952 119.914 -0.040 0.000 2.358 138 V HA -0.296 3.816 4.120 -0.013 0.000 0.246 138 V C 2.436 178.492 176.094 -0.065 0.000 1.047 138 V CA 1.410 63.677 62.300 -0.055 0.000 1.035 138 V CB -0.274 31.510 31.823 -0.065 0.000 0.658 138 V HN 0.377 nan 8.190 nan 0.000 0.452 139 L N -0.620 120.563 121.223 -0.066 0.000 2.046 139 L HA -0.175 4.157 4.340 -0.013 0.000 0.208 139 L C 2.787 179.621 176.870 -0.059 0.000 1.077 139 L CA 1.609 56.404 54.840 -0.075 0.000 0.747 139 L CB -0.547 41.465 42.059 -0.078 0.000 0.896 139 L HN 0.235 nan 8.230 nan 0.000 0.432 140 R N -0.333 120.141 120.500 -0.044 0.000 2.120 140 R HA -0.121 4.210 4.340 -0.013 0.000 0.234 140 R C 2.197 178.476 176.300 -0.035 0.000 1.123 140 R CA 1.251 57.331 56.100 -0.034 0.000 0.975 140 R CB -0.238 30.048 30.300 -0.024 0.000 0.866 140 R HN 0.340 nan 8.270 nan 0.000 0.446 141 A N 0.500 123.296 122.820 -0.039 0.000 2.123 141 A HA 0.243 4.555 4.320 -0.013 0.000 0.214 141 A C 0.877 178.435 177.584 -0.043 0.000 1.152 141 A CA 0.522 52.537 52.037 -0.038 0.000 0.728 141 A CB 0.170 19.146 19.000 -0.039 0.000 0.814 141 A HN 0.278 nan 8.150 nan 0.000 0.464 142 A N 0.236 123.024 122.820 -0.053 0.000 2.301 142 A HA 0.632 4.944 4.320 -0.013 0.000 0.312 142 A C 0.226 177.779 177.584 -0.053 0.000 1.182 142 A CA -0.688 51.313 52.037 -0.061 0.000 0.826 142 A CB 0.287 19.237 19.000 -0.085 0.000 1.134 142 A HN 0.494 nan 8.150 nan 0.000 0.501 143 R N 2.017 122.490 120.500 -0.045 0.000 2.615 143 R HA 0.356 4.688 4.340 -0.013 0.000 0.270 143 R C -2.297 173.976 176.300 -0.045 0.000 1.081 143 R CA -1.314 54.765 56.100 -0.035 0.000 1.154 143 R CB 0.043 30.330 30.300 -0.021 0.000 1.063 143 R HN 0.527 nan 8.270 nan 0.000 0.519 144 P HA -0.028 nan 4.420 nan 0.000 0.264 144 P C 0.369 177.652 177.300 -0.029 0.000 1.193 144 P CA 0.626 63.705 63.100 -0.036 0.000 0.763 144 P CB 0.703 32.393 31.700 -0.016 0.000 0.810 145 G N 2.617 111.383 108.800 -0.057 0.000 2.184 145 G HA2 -0.349 3.603 3.960 -0.013 0.000 0.264 145 G HA3 -0.349 3.603 3.960 -0.013 0.000 0.264 145 G C 1.020 175.874 174.900 -0.076 0.000 0.975 145 G CA 0.549 45.615 45.100 -0.057 0.000 0.642 145 G HN 0.578 nan 8.290 nan 0.000 0.536 146 Q N -0.391 119.364 119.800 -0.075 0.000 2.123 146 Q HA 0.157 4.489 4.340 -0.013 0.000 0.199 146 Q C 1.283 177.217 176.000 -0.111 0.000 0.966 146 Q CA 0.661 56.422 55.803 -0.069 0.000 0.845 146 Q CB -0.027 28.677 28.738 -0.057 0.000 0.907 146 Q HN 0.685 nan 8.270 nan 0.000 0.439 147 I N 1.991 122.466 120.570 -0.158 0.000 2.337 147 I HA 0.125 4.287 4.170 -0.013 0.000 0.291 147 I C -0.842 175.111 176.117 -0.274 0.000 1.046 147 I CA -0.493 60.689 61.300 -0.198 0.000 1.324 147 I CB 1.271 39.142 38.000 -0.216 0.000 1.409 147 I HN -0.149 nan 8.210 nan 0.000 0.494 148 V N 8.857 128.615 119.914 -0.260 0.000 2.378 148 V HA 0.324 4.436 4.120 -0.013 0.000 0.288 148 V C -2.038 173.903 176.094 -0.255 0.000 1.016 148 V CA -1.775 60.318 62.300 -0.345 0.000 0.840 148 V CB 1.615 33.235 31.823 -0.338 0.000 0.994 148 V HN 0.587 nan 8.190 nan 0.000 0.431 149 P HA 0.169 nan 4.420 nan 0.000 0.271 149 P C 0.428 177.680 177.300 -0.079 0.000 1.216 149 P CA 0.168 63.173 63.100 -0.158 0.000 0.776 149 P CB 2.056 33.696 31.700 -0.099 0.000 0.881 150 V N 1.266 121.145 119.914 -0.057 0.000 3.085 150 V HA 0.004 4.116 4.120 -0.013 0.000 0.245 150 V C 0.817 176.884 176.094 -0.046 0.000 1.114 150 V CA 0.649 62.921 62.300 -0.048 0.000 1.108 150 V CB -0.878 30.906 31.823 -0.065 0.000 0.798 150 V HN 0.513 nan 8.190 nan 0.000 0.471 151 N N 1.361 120.048 118.700 -0.022 0.000 2.395 151 N HA -0.029 4.703 4.740 -0.013 0.000 0.246 151 N C 1.461 176.915 175.510 -0.094 0.000 1.246 151 N CA 0.837 53.845 53.050 -0.070 0.000 0.879 151 N CB 0.866 39.367 38.487 0.023 0.000 1.098 151 N HN 0.362 nan 8.380 nan 0.000 0.444 152 S N 1.057 116.632 115.700 -0.209 0.000 2.402 152 S HA -0.141 4.320 4.470 -0.013 0.000 0.229 152 S C 1.223 175.757 174.600 -0.109 0.000 1.021 152 S CA 0.880 58.963 58.200 -0.196 0.000 0.974 152 S CB -0.215 62.782 63.200 -0.338 0.000 0.800 152 S HN 0.548 nan 8.310 nan 0.000 0.484 153 E N 1.507 121.612 120.200 -0.159 0.000 2.051 153 E HA -0.111 4.231 4.350 -0.013 0.000 0.192 153 E C 1.925 178.425 176.600 -0.167 0.000 0.991 153 E CA 1.734 58.024 56.400 -0.183 0.000 0.799 153 E CB -0.489 29.006 29.700 -0.342 0.000 0.748 153 E HN 0.807 nan 8.360 nan 0.000 0.449 154 H N -1.094 118.014 119.070 0.064 0.000 2.470 154 H HA 0.081 4.629 4.556 -0.013 0.000 0.289 154 H C 2.071 177.489 175.328 0.149 0.000 1.033 154 H CA 1.092 57.236 56.048 0.160 0.000 1.331 154 H CB 0.106 29.943 29.762 0.125 0.000 1.414 154 H HN 0.035 nan 8.280 nan 0.000 0.545 155 S N 0.364 116.155 115.700 0.151 0.000 2.368 155 S HA -0.146 4.316 4.470 -0.013 0.000 0.224 155 S C 2.395 177.081 174.600 0.144 0.000 1.029 155 S CA 0.820 59.096 58.200 0.128 0.000 0.988 155 S CB -0.346 62.903 63.200 0.081 0.000 0.838 155 S HN 0.501 nan 8.310 nan 0.000 0.462 156 A N 1.669 124.548 122.820 0.098 0.000 1.883 156 A HA 0.018 4.330 4.320 -0.013 0.000 0.217 156 A C 2.233 179.850 177.584 0.055 0.000 1.186 156 A CA 1.552 53.649 52.037 0.099 0.000 0.624 156 A CB -0.917 18.149 19.000 0.111 0.000 0.822 156 A HN 0.576 nan 8.150 nan 0.000 0.444 157 L N -0.847 120.371 121.223 -0.010 0.000 2.046 157 L HA -0.226 4.106 4.340 -0.013 0.000 0.208 157 L C 3.125 179.875 176.870 -0.200 0.000 1.077 157 L CA 1.165 55.888 54.840 -0.196 0.000 0.747 157 L CB -0.595 41.215 42.059 -0.415 0.000 0.896 157 L HN 0.459 nan 8.230 nan 0.000 0.432 158 A N -0.505 122.317 122.820 0.004 0.000 1.933 158 A HA -0.247 4.065 4.320 -0.013 0.000 0.218 158 A C 2.210 179.977 177.584 0.306 0.000 1.175 158 A CA 1.575 53.717 52.037 0.175 0.000 0.628 158 A CB -0.433 18.657 19.000 0.150 0.000 0.814 158 A HN 0.496 nan 8.150 nan 0.000 0.444 159 Q N -1.116 118.857 119.800 0.289 0.000 2.079 159 Q HA -0.157 4.175 4.340 -0.013 0.000 0.200 159 Q C 2.268 178.369 176.000 0.168 0.000 0.974 159 Q CA 1.628 57.583 55.803 0.253 0.000 0.840 159 Q CB -0.391 28.469 28.738 0.204 0.000 0.898 159 Q HN 0.749 nan 8.270 nan 0.000 0.430 160 C N 0.460 119.833 119.300 0.121 0.000 2.435 160 C HA -0.039 4.413 4.460 -0.013 0.000 0.279 160 C C 2.435 177.544 174.990 0.198 0.000 1.321 160 C CA 0.280 59.374 59.018 0.128 0.000 1.752 160 C CB -0.848 26.928 27.740 0.061 0.000 1.959 160 C HN 0.465 nan 8.230 nan 0.000 0.500 161 L N 0.478 121.769 121.223 0.114 0.000 2.265 161 L HA -0.131 4.201 4.340 -0.013 0.000 0.215 161 L C 2.629 179.639 176.870 0.233 0.000 1.117 161 L CA 1.220 56.150 54.840 0.151 0.000 0.782 161 L CB -0.477 41.595 42.059 0.022 0.000 0.914 161 L HN 0.349 nan 8.230 nan 0.000 0.441 162 R N -0.311 120.302 120.500 0.188 0.000 2.237 162 R HA -0.077 4.255 4.340 -0.013 0.000 0.219 162 R C 2.201 178.540 176.300 0.065 0.000 1.080 162 R CA 0.816 56.992 56.100 0.127 0.000 0.995 162 R CB -0.491 29.869 30.300 0.099 0.000 0.875 162 R HN 0.389 nan 8.270 nan 0.000 0.462 163 G N 0.125 108.981 108.800 0.093 0.000 2.559 163 G HA2 0.031 3.983 3.960 -0.013 0.000 0.216 163 G HA3 0.031 3.983 3.960 -0.013 0.000 0.216 163 G C 0.444 175.001 174.900 -0.571 0.000 1.126 163 G CA 0.711 45.698 45.100 -0.188 0.000 0.778 163 G HN 0.448 nan 8.290 nan 0.000 0.543 164 G N -1.399 107.257 108.800 -0.240 0.000 2.600 164 G HA2 0.503 4.455 3.960 -0.013 0.000 0.293 164 G HA3 0.503 4.455 3.960 -0.013 0.000 0.293 164 G C -0.417 174.533 174.900 0.083 0.000 1.408 164 G CA 0.102 45.101 45.100 -0.167 0.000 0.782 164 G HN 0.476 nan 8.290 nan 0.000 0.482 165 T N -1.013 113.583 114.554 0.070 0.000 2.868 165 T HA 0.440 4.782 4.350 -0.013 0.000 0.292 165 T C -1.482 173.295 174.700 0.128 0.000 1.028 165 T CA -0.939 61.212 62.100 0.086 0.000 1.059 165 T CB 1.723 70.622 68.868 0.052 0.000 0.991 165 T HN 0.121 nan 8.240 nan 0.000 0.531 166 P HA -0.132 nan 4.420 nan 0.000 0.216 166 P C 1.317 178.658 177.300 0.068 0.000 1.150 166 P CA 1.221 64.370 63.100 0.081 0.000 0.843 166 P CB -0.067 31.669 31.700 0.061 0.000 0.787 167 D N -0.421 120.017 120.400 0.064 0.000 2.371 167 D HA -0.139 4.493 4.640 -0.013 0.000 0.221 167 D C 1.055 177.398 176.300 0.070 0.000 0.986 167 D CA 0.743 54.774 54.000 0.052 0.000 0.899 167 D CB -0.413 40.411 40.800 0.040 0.000 0.902 167 D HN 0.278 nan 8.370 nan 0.000 0.530 168 E N 0.077 120.348 120.200 0.119 0.000 2.474 168 E HA 0.109 4.451 4.350 -0.013 0.000 0.195 168 E C -0.023 176.715 176.600 0.231 0.000 1.039 168 E CA -0.181 56.332 56.400 0.189 0.000 0.881 168 E CB 1.264 31.100 29.700 0.226 0.000 0.970 168 E HN 0.092 nan 8.360 nan 0.000 0.486 169 V N 1.521 121.484 119.914 0.082 0.000 2.455 169 V HA 0.121 4.233 4.120 -0.013 0.000 0.273 169 V C 0.874 176.905 176.094 -0.104 0.000 1.045 169 V CA 0.227 62.452 62.300 -0.125 0.000 0.976 169 V CB 1.087 32.818 31.823 -0.154 0.000 0.993 169 V HN 0.200 nan 8.190 nan 0.000 0.475 170 A N 5.312 128.037 122.820 -0.159 0.000 1.881 170 A HA 0.323 4.635 4.320 -0.013 0.000 0.210 170 A C 0.886 178.402 177.584 -0.115 0.000 1.239 170 A CA 0.617 52.596 52.037 -0.096 0.000 0.629 170 A CB 0.256 19.217 19.000 -0.065 0.000 0.906 170 A HN 0.660 nan 8.150 nan 0.000 0.460 171 K N -0.417 119.880 120.400 -0.173 0.000 2.523 171 K HA 0.601 4.913 4.320 -0.013 0.000 0.257 171 K C -1.689 174.794 176.600 -0.195 0.000 0.932 171 K CA -0.357 55.844 56.287 -0.143 0.000 0.812 171 K CB 2.149 34.590 32.500 -0.098 0.000 1.326 171 K HN 0.242 nan 8.250 nan 0.000 0.433 172 L N 2.864 123.995 121.223 -0.154 0.000 2.289 172 L HA 0.490 4.822 4.340 -0.013 0.000 0.285 172 L C -0.533 176.276 176.870 -0.103 0.000 1.049 172 L CA -1.132 53.610 54.840 -0.163 0.000 0.804 172 L CB 1.394 43.361 42.059 -0.154 0.000 1.195 172 L HN 0.246 nan 8.230 nan 0.000 0.428 173 V N 4.957 124.809 119.914 -0.104 0.000 2.304 173 V HA 0.287 4.399 4.120 -0.013 0.000 0.278 173 V C 0.030 176.100 176.094 -0.040 0.000 1.018 173 V CA -0.460 61.801 62.300 -0.065 0.000 0.814 173 V CB 1.442 33.215 31.823 -0.083 0.000 1.021 173 V HN 0.463 nan 8.190 nan 0.000 0.440 174 L N 4.987 126.201 121.223 -0.014 0.000 2.349 174 L HA 0.499 4.831 4.340 -0.013 0.000 0.275 174 L C 0.955 177.846 176.870 0.035 0.000 1.115 174 L CA 0.595 55.434 54.840 -0.002 0.000 0.820 174 L CB 1.621 43.678 42.059 -0.003 0.000 1.135 174 L HN 0.817 nan 8.230 nan 0.000 0.445 175 T N 0.652 115.240 114.554 0.057 0.000 2.907 175 T HA 0.854 5.196 4.350 -0.013 0.000 0.284 175 T C -0.271 174.485 174.700 0.093 0.000 1.004 175 T CA -0.793 61.377 62.100 0.116 0.000 1.063 175 T CB 1.723 70.693 68.868 0.171 0.000 0.992 175 T HN 0.696 nan 8.240 nan 0.000 0.483 176 A N 1.530 124.406 122.820 0.093 0.000 2.386 176 A HA 0.656 4.968 4.320 -0.013 0.000 0.311 176 A C 1.194 178.801 177.584 0.038 0.000 1.068 176 A CA -0.366 51.704 52.037 0.055 0.000 0.743 176 A CB 1.424 20.435 19.000 0.020 0.000 1.258 176 A HN 1.150 nan 8.150 nan 0.000 0.429 177 S N 1.466 117.193 115.700 0.045 0.000 2.399 177 S HA 0.232 4.694 4.470 -0.013 0.000 0.231 177 S C 1.514 176.057 174.600 -0.095 0.000 1.022 177 S CA 1.623 59.809 58.200 -0.023 0.000 0.983 177 S CB -0.243 62.982 63.200 0.040 0.000 0.803 177 S HN 2.711 nan 8.310 nan 0.000 0.480 178 G N 0.409 109.151 108.800 -0.097 0.000 2.194 178 G HA2 0.240 4.192 3.960 -0.013 0.000 0.236 178 G HA3 0.240 4.192 3.960 -0.013 0.000 0.236 178 G C 1.166 175.908 174.900 -0.264 0.000 0.987 178 G CA 0.251 45.235 45.100 -0.193 0.000 0.635 178 G HN 1.877 nan 8.290 nan 0.000 0.520 179 G N -0.280 108.402 108.800 -0.197 0.000 2.877 179 G HA2 0.107 4.059 3.960 -0.013 0.000 0.279 179 G HA3 0.107 4.059 3.960 -0.013 0.000 0.279 179 G C -0.844 173.793 174.900 -0.438 0.000 1.431 179 G CA 0.331 45.278 45.100 -0.255 0.000 0.883 179 G HN 0.733 nan 8.290 nan 0.000 0.547 180 P HA 0.092 nan 4.420 nan 0.000 0.222 180 P C 1.086 177.761 177.300 -1.042 0.000 1.147 180 P CA 1.328 63.886 63.100 -0.905 0.000 0.790 180 P CB -0.057 30.866 31.700 -1.296 0.000 0.780 181 F N -1.353 118.218 119.950 -0.631 0.000 2.684 181 F HA 0.255 4.779 4.527 -0.006 0.000 0.298 181 F C 1.139 176.764 175.800 -0.292 0.000 1.120 181 F CA -0.981 56.349 58.000 -1.116 0.000 1.332 181 F CB -0.234 38.173 39.000 -0.988 0.000 0.986 181 F HN -0.294 nan 8.300 nan 0.000 0.524 182 R N 1.302 121.743 120.500 -0.098 0.000 2.480 182 R HA 0.285 4.617 4.340 -0.013 0.000 0.303 182 R C 1.283 177.754 176.300 0.284 0.000 0.985 182 R CA 1.336 57.453 56.100 0.029 0.000 1.051 182 R CB 0.013 30.273 30.300 -0.065 0.000 0.935 182 R HN 0.565 nan 8.270 nan 0.000 0.410 183 G N 3.619 112.623 108.800 0.340 0.000 2.299 183 G HA2 -0.261 3.691 3.960 -0.013 0.000 0.237 183 G HA3 -0.261 3.691 3.960 -0.013 0.000 0.237 183 G C -0.522 174.647 174.900 0.449 0.000 1.027 183 G CA 0.026 45.336 45.100 0.349 0.000 0.619 183 G HN 0.617 nan 8.290 nan 0.000 0.513 184 W N 2.941 124.389 121.300 0.247 0.000 2.231 184 W HA 0.520 5.173 4.660 -0.011 0.000 0.341 184 W C 1.351 177.964 176.519 0.157 0.000 1.298 184 W CA 0.022 57.491 57.345 0.205 0.000 1.266 184 W CB 0.312 29.926 29.460 0.258 0.000 1.172 184 W HN 0.629 nan 8.180 nan 0.000 0.568 185 S N 1.587 117.443 115.700 0.260 0.000 2.634 185 S HA 0.526 4.988 4.470 -0.013 0.000 0.261 185 S C 1.172 175.838 174.600 0.110 0.000 1.271 185 S CA -0.180 58.109 58.200 0.148 0.000 0.985 185 S CB 1.217 64.465 63.200 0.081 0.000 0.968 185 S HN 0.643 nan 8.310 nan 0.000 0.568 186 A N 1.537 124.375 122.820 0.030 0.000 1.902 186 A HA 0.136 4.448 4.320 -0.013 0.000 0.217 186 A C 2.491 180.081 177.584 0.010 0.000 1.181 186 A CA 2.022 54.047 52.037 -0.022 0.000 0.623 186 A CB -1.875 17.098 19.000 -0.044 0.000 0.818 186 A HN 1.456 nan 8.150 nan 0.000 0.443 187 A N 1.232 124.071 122.820 0.033 0.000 1.884 187 A HA -0.278 4.034 4.320 -0.013 0.000 0.219 187 A C 1.604 179.254 177.584 0.109 0.000 1.197 187 A CA 2.140 54.210 52.037 0.054 0.000 0.637 187 A CB -0.767 18.269 19.000 0.060 0.000 0.827 187 A HN 0.661 nan 8.150 nan 0.000 0.450 188 D N -0.339 120.148 120.400 0.145 0.000 2.340 188 D HA 0.045 4.677 4.640 -0.013 0.000 0.220 188 D C 1.556 178.040 176.300 0.307 0.000 1.039 188 D CA 0.138 54.281 54.000 0.237 0.000 0.866 188 D CB -0.378 40.422 40.800 0.002 0.000 0.913 188 D HN 0.491 nan 8.370 nan 0.000 0.523 189 L N 0.507 121.840 121.223 0.184 0.000 2.313 189 L HA -0.047 4.285 4.340 -0.013 0.000 0.214 189 L C 2.108 178.971 176.870 -0.011 0.000 1.119 189 L CA 0.776 55.653 54.840 0.062 0.000 0.809 189 L CB -0.112 41.964 42.059 0.028 0.000 0.933 189 L HN -0.020 nan 8.230 nan 0.000 0.449 190 E N -0.698 119.430 120.200 -0.121 0.000 2.150 190 E HA -0.188 4.154 4.350 -0.013 0.000 0.193 190 E C 1.305 177.745 176.600 -0.267 0.000 0.985 190 E CA 0.851 57.090 56.400 -0.268 0.000 0.814 190 E CB -0.028 29.378 29.700 -0.490 0.000 0.752 190 E HN 0.647 nan 8.360 nan 0.000 0.466 191 H N 0.026 119.139 119.070 0.071 0.000 2.526 191 H HA 0.159 4.707 4.556 -0.014 0.000 0.274 191 H C 0.286 175.663 175.328 0.081 0.000 0.999 191 H CA -0.059 56.032 56.048 0.073 0.000 1.157 191 H CB 0.176 29.970 29.762 0.054 0.000 1.407 191 H HN -0.070 nan 8.280 nan 0.000 0.568 192 V N 3.638 123.602 119.914 0.083 0.000 2.540 192 V HA -0.040 4.072 4.120 -0.013 0.000 0.297 192 V C 1.147 177.347 176.094 0.177 0.000 1.024 192 V CA 0.284 62.557 62.300 -0.045 0.000 1.105 192 V CB 0.832 32.210 31.823 -0.742 0.000 0.938 192 V HN 0.447 nan 8.190 nan 0.000 0.482 193 T N 3.505 118.159 114.554 0.166 0.000 2.918 193 T HA 0.362 4.704 4.350 -0.013 0.000 0.283 193 T C -1.764 173.031 174.700 0.158 0.000 1.001 193 T CA -2.104 60.068 62.100 0.121 0.000 1.041 193 T CB 1.582 70.496 68.868 0.078 0.000 1.028 193 T HN 0.425 nan 8.240 nan 0.000 0.511 194 P HA -0.037 nan 4.420 nan 0.000 0.222 194 P C 0.825 178.194 177.300 0.116 0.000 1.142 194 P CA 0.994 64.067 63.100 -0.046 0.000 0.788 194 P CB 0.120 31.663 31.700 -0.261 0.000 0.767 195 E N -1.594 118.663 120.200 0.095 0.000 2.389 195 E HA 0.020 4.362 4.350 -0.013 0.000 0.199 195 E C 1.917 178.591 176.600 0.123 0.000 0.978 195 E CA 0.050 56.508 56.400 0.096 0.000 0.912 195 E CB -0.103 29.633 29.700 0.061 0.000 0.907 195 E HN 0.287 nan 8.360 nan 0.000 0.494 196 Q N 0.017 119.918 119.800 0.167 0.000 2.226 196 Q HA -0.036 4.296 4.340 -0.013 0.000 0.204 196 Q C 1.249 177.380 176.000 0.218 0.000 0.975 196 Q CA 1.149 57.083 55.803 0.218 0.000 0.866 196 Q CB 0.129 29.047 28.738 0.301 0.000 0.915 196 Q HN 0.108 nan 8.270 nan 0.000 0.440 197 A N -0.049 122.937 122.820 0.276 0.000 2.532 197 A HA 0.326 4.638 4.320 -0.013 0.000 0.273 197 A C 1.238 178.912 177.584 0.150 0.000 1.342 197 A CA 0.265 52.431 52.037 0.215 0.000 0.929 197 A CB 0.019 19.249 19.000 0.383 0.000 1.051 197 A HN 0.339 nan 8.150 nan 0.000 0.521 198 G N -1.371 107.491 108.800 0.104 0.000 3.159 198 G HA2 0.466 4.418 3.960 -0.013 0.000 0.232 198 G HA3 0.466 4.418 3.960 -0.013 0.000 0.232 198 G C 0.384 175.322 174.900 0.063 0.000 1.116 198 G CA 0.775 45.930 45.100 0.092 0.000 0.767 198 G HN 0.816 nan 8.290 nan 0.000 0.547 199 A N 0.174 123.014 122.820 0.033 0.000 2.356 199 A HA 0.678 4.990 4.320 -0.013 0.000 0.310 199 A C -1.647 175.954 177.584 0.028 0.000 1.075 199 A CA -0.616 51.439 52.037 0.031 0.000 0.746 199 A CB 1.358 20.361 19.000 0.005 0.000 1.221 199 A HN 0.283 nan 8.150 nan 0.000 0.443 200 H N 3.546 122.600 119.070 -0.026 0.000 2.466 200 H HA 0.517 5.057 4.556 -0.027 0.000 0.338 200 H C -1.490 173.824 175.328 -0.024 0.000 1.091 200 H CA -1.546 54.489 56.048 -0.023 0.000 1.207 200 H CB 1.758 31.548 29.762 0.046 0.000 1.466 200 H HN 0.405 nan 8.280 nan 0.000 0.493 201 P HA -0.165 nan 4.420 nan 0.000 0.216 201 P C 0.655 177.834 177.300 -0.201 0.000 1.150 201 P CA 1.817 64.743 63.100 -0.291 0.000 0.843 201 P CB 0.407 31.889 31.700 -0.362 0.000 0.787 202 T N -7.766 106.698 114.554 -0.150 0.000 2.954 202 T HA 0.157 4.499 4.350 -0.013 0.000 0.252 202 T C 0.127 174.618 174.700 -0.348 0.000 0.983 202 T CA -0.389 61.554 62.100 -0.261 0.000 0.941 202 T CB -0.227 68.416 68.868 -0.375 0.000 1.141 202 T HN 0.009 nan 8.240 nan 0.000 0.500 203 W N 1.524 122.955 121.300 0.218 0.000 2.864 203 W HA 0.711 5.370 4.660 -0.002 0.000 0.343 203 W C -0.781 175.784 176.519 0.077 0.000 1.109 203 W CA -0.922 56.490 57.345 0.112 0.000 1.192 203 W CB 1.702 31.190 29.460 0.046 0.000 1.426 203 W HN -0.212 nan 8.180 nan 0.000 0.529 204 S N 2.951 118.810 115.700 0.265 0.000 2.528 204 S HA 0.610 5.071 4.470 -0.013 0.000 0.303 204 S C -0.329 174.338 174.600 0.110 0.000 1.123 204 S CA -0.678 57.611 58.200 0.147 0.000 1.138 204 S CB -0.053 63.201 63.200 0.090 0.000 0.984 204 S HN 0.327 nan 8.310 nan 0.000 0.474 205 M N 1.283 120.928 119.600 0.075 0.000 2.819 205 M HA 0.580 5.052 4.480 -0.013 0.000 0.300 205 M C 0.835 177.147 176.300 0.020 0.000 1.237 205 M CA -0.903 54.410 55.300 0.022 0.000 0.813 205 M CB 1.124 33.702 32.600 -0.037 0.000 1.755 205 M HN 0.611 nan 8.290 nan 0.000 0.484 206 G N 0.196 109.001 108.800 0.007 0.000 2.636 206 G HA2 0.269 4.221 3.960 -0.013 0.000 0.246 206 G HA3 0.269 4.221 3.960 -0.013 0.000 0.246 206 G C -2.283 172.637 174.900 0.034 0.000 1.216 206 G CA -1.079 44.034 45.100 0.022 0.000 0.854 206 G HN 0.423 nan 8.290 nan 0.000 0.572 207 P HA -0.124 nan 4.420 nan 0.000 0.218 207 P C 2.091 179.439 177.300 0.080 0.000 1.148 207 P CA 0.966 64.108 63.100 0.070 0.000 0.822 207 P CB 0.149 31.890 31.700 0.067 0.000 0.784 208 M N -1.271 118.363 119.600 0.057 0.000 2.098 208 M HA -0.081 4.391 4.480 -0.013 0.000 0.262 208 M C 1.957 178.275 176.300 0.031 0.000 1.072 208 M CA 1.506 56.836 55.300 0.050 0.000 1.133 208 M CB -1.665 30.953 32.600 0.030 0.000 1.344 208 M HN -0.007 nan 8.290 nan 0.000 0.414 209 N N -0.734 117.969 118.700 0.004 0.000 2.309 209 N HA -0.135 4.597 4.740 -0.013 0.000 0.182 209 N C 1.528 177.006 175.510 -0.053 0.000 1.018 209 N CA 1.490 54.520 53.050 -0.034 0.000 0.876 209 N CB 0.246 38.697 38.487 -0.061 0.000 0.972 209 N HN 0.314 nan 8.380 nan 0.000 0.434 210 T N 0.416 114.962 114.554 -0.014 0.000 2.985 210 T HA -0.031 4.311 4.350 -0.013 0.000 0.266 210 T C 1.832 176.572 174.700 0.067 0.000 1.076 210 T CA 0.337 62.438 62.100 0.002 0.000 1.135 210 T CB 0.012 68.911 68.868 0.051 0.000 0.890 210 T HN 0.106 nan 8.240 nan 0.000 0.480 211 L N 1.775 123.060 121.223 0.103 0.000 2.072 211 L HA 0.178 4.510 4.340 -0.013 0.000 0.205 211 L C 1.934 178.884 176.870 0.134 0.000 1.079 211 L CA 1.693 56.638 54.840 0.175 0.000 0.752 211 L CB -0.862 41.319 42.059 0.203 0.000 0.906 211 L HN 0.121 nan 8.230 nan 0.000 0.436 212 N N -0.598 118.138 118.700 0.061 0.000 2.289 212 N HA -0.129 4.603 4.740 -0.013 0.000 0.184 212 N C 1.860 177.393 175.510 0.039 0.000 1.016 212 N CA 1.333 54.402 53.050 0.032 0.000 0.872 212 N CB -0.231 38.259 38.487 0.005 0.000 0.973 212 N HN 0.360 nan 8.380 nan 0.000 0.433 213 S N 0.010 115.724 115.700 0.024 0.000 2.395 213 S HA 0.091 4.553 4.470 -0.013 0.000 0.225 213 S C 1.972 176.629 174.600 0.096 0.000 1.027 213 S CA 0.750 58.968 58.200 0.030 0.000 0.965 213 S CB -0.053 63.117 63.200 -0.051 0.000 0.812 213 S HN 0.482 nan 8.310 nan 0.000 0.482 214 A N 1.587 124.502 122.820 0.158 0.000 1.929 214 A HA -0.030 4.282 4.320 -0.013 0.000 0.216 214 A C 2.196 180.127 177.584 0.579 0.000 1.176 214 A CA 1.676 53.873 52.037 0.266 0.000 0.628 214 A CB -0.570 18.628 19.000 0.330 0.000 0.816 214 A HN 0.576 nan 8.150 nan 0.000 0.444 215 S N -1.645 114.301 115.700 0.409 0.000 2.548 215 S HA 0.273 4.735 4.470 -0.013 0.000 0.215 215 S C 0.804 175.529 174.600 0.208 0.000 0.976 215 S CA 0.459 58.787 58.200 0.213 0.000 0.908 215 S CB 0.098 63.181 63.200 -0.196 0.000 0.781 215 S HN 0.584 nan 8.310 nan 0.000 0.519 216 L N -0.002 121.316 121.223 0.158 0.000 4.759 216 L HA -0.168 4.164 4.340 -0.013 0.000 0.419 216 L C 1.213 178.151 176.870 0.115 0.000 1.093 216 L CA 0.553 55.459 54.840 0.109 0.000 1.037 216 L CB -2.407 39.736 42.059 0.140 0.000 2.095 216 L HN 0.397 nan 8.230 nan 0.000 0.739 217 V N -0.884 119.087 119.914 0.095 0.000 2.591 217 V HA -0.135 3.977 4.120 -0.013 0.000 0.249 217 V C 2.134 178.308 176.094 0.134 0.000 1.053 217 V CA 2.010 64.385 62.300 0.126 0.000 1.068 217 V CB -0.277 31.553 31.823 0.011 0.000 0.689 217 V HN 0.529 nan 8.190 nan 0.000 0.462 218 N N 0.739 119.482 118.700 0.071 0.000 2.104 218 N HA -0.216 4.516 4.740 -0.013 0.000 0.190 218 N C 1.747 177.290 175.510 0.055 0.000 1.024 218 N CA 1.458 54.535 53.050 0.044 0.000 0.853 218 N CB -0.126 38.352 38.487 -0.015 0.000 1.008 218 N HN 0.196 nan 8.380 nan 0.000 0.424 219 K N 0.039 120.472 120.400 0.055 0.000 2.026 219 K HA 0.071 4.383 4.320 -0.013 0.000 0.208 219 K C 1.926 178.575 176.600 0.081 0.000 1.048 219 K CA 1.533 57.853 56.287 0.055 0.000 0.929 219 K CB -1.153 31.373 32.500 0.045 0.000 0.713 219 K HN 0.275 nan 8.250 nan 0.000 0.439 220 G N 0.890 109.755 108.800 0.108 0.000 2.491 220 G HA2 -0.266 3.686 3.960 -0.013 0.000 0.218 220 G HA3 -0.266 3.686 3.960 -0.013 0.000 0.218 220 G C 1.549 176.469 174.900 0.034 0.000 1.180 220 G CA 1.307 46.453 45.100 0.077 0.000 0.774 220 G HN 0.309 nan 8.290 nan 0.000 0.562 221 L N -0.230 121.072 121.223 0.132 0.000 2.083 221 L HA -0.139 4.193 4.340 -0.013 0.000 0.209 221 L C 3.134 180.072 176.870 0.113 0.000 1.083 221 L CA 1.321 56.232 54.840 0.120 0.000 0.752 221 L CB -0.476 41.676 42.059 0.155 0.000 0.899 221 L HN 0.285 nan 8.230 nan 0.000 0.433 222 Q N -0.669 119.216 119.800 0.142 0.000 2.167 222 Q HA -0.153 4.179 4.340 -0.013 0.000 0.202 222 Q C 2.379 178.552 176.000 0.288 0.000 0.970 222 Q CA 1.217 57.171 55.803 0.253 0.000 0.855 222 Q CB -0.083 28.736 28.738 0.136 0.000 0.911 222 Q HN 0.360 nan 8.270 nan 0.000 0.438 223 V N 1.005 121.028 119.914 0.182 0.000 2.343 223 V HA -0.278 3.834 4.120 -0.013 0.000 0.247 223 V C 2.100 178.350 176.094 0.260 0.000 1.051 223 V CA 1.617 64.037 62.300 0.200 0.000 1.036 223 V CB -0.454 31.468 31.823 0.164 0.000 0.654 223 V HN 0.356 nan 8.190 nan 0.000 0.451 224 I N -0.021 120.682 120.570 0.221 0.000 2.127 224 I HA -0.283 3.878 4.170 -0.013 0.000 0.241 224 I C 2.565 178.765 176.117 0.138 0.000 1.075 224 I CA 1.891 63.339 61.300 0.246 0.000 1.334 224 I CB -0.520 37.531 38.000 0.086 0.000 1.040 224 I HN 0.384 nan 8.210 nan 0.000 0.405 225 E N 0.282 120.512 120.200 0.051 0.000 2.085 225 E HA -0.196 4.146 4.350 -0.013 0.000 0.194 225 E C 2.138 178.631 176.600 -0.178 0.000 0.994 225 E CA 1.892 58.212 56.400 -0.132 0.000 0.801 225 E CB -0.252 29.273 29.700 -0.291 0.000 0.743 225 E HN 0.488 nan 8.360 nan 0.000 0.453 226 T N -0.033 114.563 114.554 0.069 0.000 2.746 226 T HA -0.208 4.134 4.350 -0.013 0.000 0.267 226 T C 1.748 176.518 174.700 0.116 0.000 1.039 226 T CA 1.772 64.018 62.100 0.243 0.000 1.142 226 T CB -0.369 68.709 68.868 0.349 0.000 0.866 226 T HN 0.334 nan 8.240 nan 0.000 0.444 227 H N 0.887 119.887 119.070 -0.117 0.000 2.353 227 H HA 0.098 4.645 4.556 -0.014 0.000 0.300 227 H C 1.935 177.141 175.328 -0.204 0.000 1.090 227 H CA 1.265 57.132 56.048 -0.301 0.000 1.327 227 H CB -0.427 28.834 29.762 -0.835 0.000 1.383 227 H HN 0.266 nan 8.280 nan 0.000 0.508 228 L N -0.498 120.575 121.223 -0.251 0.000 2.131 228 L HA -0.063 4.269 4.340 -0.013 0.000 0.206 228 L C 2.436 179.089 176.870 -0.362 0.000 1.087 228 L CA 0.632 55.297 54.840 -0.292 0.000 0.767 228 L CB -0.271 41.702 42.059 -0.143 0.000 0.917 228 L HN 0.278 nan 8.230 nan 0.000 0.441 229 L N -1.261 119.685 121.223 -0.462 0.000 2.056 229 L HA -0.153 4.179 4.340 -0.013 0.000 0.207 229 L C 1.873 178.277 176.870 -0.776 0.000 1.078 229 L CA 1.572 55.961 54.840 -0.751 0.000 0.749 229 L CB -0.185 41.150 42.059 -1.205 0.000 0.901 229 L HN 0.185 nan 8.230 nan 0.000 0.433 230 F N -1.611 118.224 119.950 -0.192 0.000 2.724 230 F HA 0.324 4.842 4.527 -0.015 0.000 0.306 230 F C 1.615 177.308 175.800 -0.178 0.000 1.100 230 F CA 0.301 58.209 58.000 -0.152 0.000 1.255 230 F CB 0.355 39.291 39.000 -0.106 0.000 1.072 230 F HN 0.057 nan 8.300 nan 0.000 0.589 231 G N 1.753 110.455 108.800 -0.164 0.000 2.198 231 G HA2 -0.263 3.689 3.960 -0.013 0.000 0.260 231 G HA3 -0.263 3.689 3.960 -0.013 0.000 0.260 231 G C 0.036 174.852 174.900 -0.140 0.000 1.025 231 G CA -0.198 44.750 45.100 -0.254 0.000 0.769 231 G HN 0.171 nan 8.290 nan 0.000 0.507 232 I N 0.757 121.283 120.570 -0.073 0.000 2.396 232 I HA 0.308 4.470 4.170 -0.013 0.000 0.292 232 I C -1.730 174.428 176.117 0.070 0.000 0.999 232 I CA -2.767 58.531 61.300 -0.004 0.000 1.310 232 I CB 1.046 39.039 38.000 -0.010 0.000 1.404 232 I HN -0.145 nan 8.210 nan 0.000 0.496 233 P HA 0.051 nan 4.420 nan 0.000 0.269 233 P C 0.379 177.645 177.300 -0.056 0.000 1.215 233 P CA 0.156 63.273 63.100 0.028 0.000 0.780 233 P CB 0.391 32.116 31.700 0.040 0.000 0.898 234 Y N 1.074 121.342 120.300 -0.053 0.000 2.256 234 Y HA -0.235 4.306 4.550 -0.014 0.000 0.288 234 Y C 2.039 177.921 175.900 -0.030 0.000 1.155 234 Y CA 1.695 59.753 58.100 -0.070 0.000 1.203 234 Y CB -0.556 37.812 38.460 -0.152 0.000 0.980 234 Y HN 0.423 nan 8.280 nan 0.000 0.530 235 D N -0.436 120.033 120.400 0.115 0.000 2.363 235 D HA -0.083 4.549 4.640 -0.013 0.000 0.226 235 D C 1.225 177.546 176.300 0.036 0.000 1.020 235 D CA 0.609 54.648 54.000 0.065 0.000 0.892 235 D CB -0.311 40.517 40.800 0.047 0.000 0.900 235 D HN 0.253 nan 8.370 nan 0.000 0.531 236 R N -0.206 120.309 120.500 0.025 0.000 2.509 236 R HA 0.365 4.697 4.340 -0.013 0.000 0.300 236 R C -0.070 176.221 176.300 -0.014 0.000 0.985 236 R CA -0.238 55.860 56.100 -0.004 0.000 1.092 236 R CB 0.809 31.099 30.300 -0.016 0.000 1.237 236 R HN 0.201 nan 8.270 nan 0.000 0.546 237 I N 1.447 122.026 120.570 0.014 0.000 2.355 237 I HA 0.220 4.381 4.170 -0.013 0.000 0.288 237 I C -0.546 175.592 176.117 0.036 0.000 0.999 237 I CA -0.599 60.713 61.300 0.020 0.000 1.163 237 I CB 1.539 39.565 38.000 0.045 0.000 1.316 237 I HN -0.190 nan 8.210 nan 0.000 0.454 238 D N 5.379 125.787 120.400 0.013 0.000 2.326 238 D HA 0.589 5.221 4.640 -0.013 0.000 0.248 238 D C -0.606 175.710 176.300 0.027 0.000 1.001 238 D CA -0.339 53.673 54.000 0.020 0.000 0.961 238 D CB 2.921 43.721 40.800 0.000 0.000 1.183 238 D HN 0.044 nan 8.370 nan 0.000 0.502 239 V N 1.022 120.959 119.914 0.039 0.000 2.588 239 V HA 0.448 4.560 4.120 -0.013 0.000 0.304 239 V C -0.367 175.764 176.094 0.061 0.000 1.042 239 V CA -0.797 61.533 62.300 0.049 0.000 0.877 239 V CB 2.195 34.050 31.823 0.054 0.000 0.996 239 V HN 0.283 nan 8.190 nan 0.000 0.425 240 V N 5.597 125.561 119.914 0.084 0.000 2.735 240 V HA 0.592 4.704 4.120 -0.013 0.000 0.310 240 V C -0.531 175.657 176.094 0.158 0.000 1.061 240 V CA -0.451 61.928 62.300 0.130 0.000 0.913 240 V CB 2.541 34.462 31.823 0.164 0.000 1.005 240 V HN 0.634 nan 8.190 nan 0.000 0.428 241 V N 6.115 126.113 119.914 0.141 0.000 2.455 241 V HA 0.328 4.440 4.120 -0.013 0.000 0.273 241 V C -0.354 175.824 176.094 0.139 0.000 1.045 241 V CA -0.186 62.172 62.300 0.098 0.000 0.976 241 V CB 0.852 32.693 31.823 0.030 0.000 0.993 241 V HN 0.964 nan 8.190 nan 0.000 0.475 242 H N 7.401 126.440 119.070 -0.052 0.000 2.854 242 H HA 0.429 4.979 4.556 -0.011 0.000 0.275 242 H C -2.383 172.832 175.328 -0.187 0.000 1.198 242 H CA -2.046 53.864 56.048 -0.229 0.000 1.489 242 H CB 1.999 31.587 29.762 -0.290 0.000 1.519 242 H HN 0.311 nan 8.280 nan 0.000 0.503 243 P HA -0.140 nan 4.420 nan 0.000 0.221 243 P C 0.907 177.949 177.300 -0.430 0.000 1.145 243 P CA 1.079 63.989 63.100 -0.317 0.000 0.795 243 P CB 0.447 32.022 31.700 -0.208 0.000 0.775 244 Q N -1.465 117.886 119.800 -0.748 0.000 2.331 244 Q HA 0.103 4.435 4.340 -0.013 0.000 0.203 244 Q C 0.799 176.492 176.000 -0.511 0.000 0.944 244 Q CA 0.464 55.918 55.803 -0.581 0.000 0.892 244 Q CB -0.583 27.869 28.738 -0.476 0.000 0.983 244 Q HN -0.023 nan 8.270 nan 0.000 0.482 245 S N -0.594 114.735 115.700 -0.619 0.000 3.614 245 S HA -0.208 4.254 4.470 -0.013 0.000 0.360 245 S C 0.633 175.087 174.600 -0.242 0.000 1.023 245 S CA 0.630 58.725 58.200 -0.175 0.000 1.114 245 S CB -1.730 61.532 63.200 0.104 0.000 0.907 245 S HN 0.395 nan 8.310 nan 0.000 0.470 246 I N -0.338 120.047 120.570 -0.308 0.000 2.947 246 I HA 0.154 4.316 4.170 -0.013 0.000 0.263 246 I C 0.865 176.477 176.117 -0.843 0.000 1.130 246 I CA 0.213 61.199 61.300 -0.524 0.000 1.448 246 I CB 0.116 37.806 38.000 -0.517 0.000 1.222 246 I HN 0.322 nan 8.210 nan 0.000 0.453 247 I N 2.629 122.778 120.570 -0.702 0.000 2.517 247 I HA -0.056 4.106 4.170 -0.013 0.000 0.285 247 I C 1.056 176.957 176.117 -0.359 0.000 1.106 247 I CA 0.695 61.644 61.300 -0.586 0.000 1.402 247 I CB 0.263 37.948 38.000 -0.525 0.000 1.399 247 I HN 0.353 nan 8.210 nan 0.000 0.535 248 H N 3.528 122.591 119.070 -0.011 0.000 2.595 248 H HA 0.319 4.864 4.556 -0.019 0.000 0.265 248 H C 0.331 175.662 175.328 0.004 0.000 0.953 248 H CA 0.143 56.214 56.048 0.039 0.000 1.197 248 H CB 1.118 30.913 29.762 0.055 0.000 1.438 248 H HN 0.583 nan 8.280 nan 0.000 0.531 249 S N -0.538 115.205 115.700 0.072 0.000 2.701 249 S HA 0.409 4.871 4.470 -0.013 0.000 0.267 249 S C -1.415 173.177 174.600 -0.014 0.000 1.034 249 S CA -0.799 57.409 58.200 0.013 0.000 0.867 249 S CB 1.458 64.649 63.200 -0.015 0.000 1.123 249 S HN 0.139 nan 8.310 nan 0.000 0.470 250 M N 1.011 120.579 119.600 -0.052 0.000 2.578 250 M HA 0.654 5.126 4.480 -0.013 0.000 0.276 250 M C -1.665 174.558 176.300 -0.129 0.000 1.245 250 M CA -0.900 54.359 55.300 -0.068 0.000 0.871 250 M CB 2.006 34.557 32.600 -0.081 0.000 1.722 250 M HN 0.316 nan 8.290 nan 0.000 0.473 251 V N 0.714 120.534 119.914 -0.156 0.000 2.540 251 V HA 0.519 4.631 4.120 -0.013 0.000 0.302 251 V C -0.412 175.448 176.094 -0.390 0.000 1.035 251 V CA -0.491 61.601 62.300 -0.347 0.000 0.873 251 V CB 2.057 33.573 31.823 -0.511 0.000 0.992 251 V HN 0.919 nan 8.190 nan 0.000 0.428 252 T N 5.634 119.958 114.554 -0.383 0.000 2.799 252 T HA 0.636 4.978 4.350 -0.013 0.000 0.286 252 T C -0.454 174.009 174.700 -0.396 0.000 0.973 252 T CA 0.060 62.010 62.100 -0.250 0.000 1.035 252 T CB 0.412 69.203 68.868 -0.129 0.000 0.932 252 T HN 0.286 nan 8.240 nan 0.000 0.469 253 F N 1.722 121.655 119.950 -0.029 0.000 2.411 253 F HA 0.419 4.937 4.527 -0.014 0.000 0.324 253 F C 1.905 177.694 175.800 -0.017 0.000 1.086 253 F CA -1.329 56.657 58.000 -0.022 0.000 1.028 253 F CB 0.582 39.571 39.000 -0.019 0.000 1.284 253 F HN 0.541 nan 8.300 nan 0.000 0.501 254 I N -1.438 119.240 120.570 0.181 0.000 2.700 254 I HA -0.153 4.008 4.170 -0.013 0.000 0.261 254 I C 1.225 177.386 176.117 0.073 0.000 1.219 254 I CA 1.274 62.628 61.300 0.089 0.000 1.463 254 I CB -0.573 37.469 38.000 0.071 0.000 1.092 254 I HN 0.555 nan 8.210 nan 0.000 0.452 255 D N 1.001 121.456 120.400 0.091 0.000 2.350 255 D HA 0.130 4.762 4.640 -0.013 0.000 0.213 255 D C 1.694 178.023 176.300 0.049 0.000 1.031 255 D CA 0.800 54.832 54.000 0.054 0.000 0.861 255 D CB 0.243 41.065 40.800 0.036 0.000 0.926 255 D HN 0.498 nan 8.370 nan 0.000 0.520 256 G N -0.439 108.401 108.800 0.067 0.000 2.184 256 G HA2 -0.221 3.730 3.960 -0.013 0.000 0.206 256 G HA3 -0.221 3.730 3.960 -0.013 0.000 0.206 256 G C 0.200 175.137 174.900 0.062 0.000 0.995 256 G CA 0.143 45.272 45.100 0.047 0.000 0.651 256 G HN 0.525 nan 8.290 nan 0.000 0.511 257 S N 0.677 116.441 115.700 0.106 0.000 2.545 257 S HA 0.634 5.096 4.470 -0.013 0.000 0.275 257 S C 0.332 175.063 174.600 0.217 0.000 1.299 257 S CA 0.719 58.992 58.200 0.123 0.000 1.048 257 S CB 0.876 64.123 63.200 0.078 0.000 0.938 257 S HN 0.414 nan 8.310 nan 0.000 0.496 258 T N 5.903 120.539 114.554 0.136 0.000 2.779 258 T HA 0.491 4.833 4.350 -0.013 0.000 0.280 258 T C -0.595 174.192 174.700 0.146 0.000 0.987 258 T CA -0.528 61.641 62.100 0.117 0.000 0.966 258 T CB 0.553 69.421 68.868 0.000 0.000 0.933 258 T HN 0.443 nan 8.240 nan 0.000 0.442 259 I N 3.032 123.734 120.570 0.220 0.000 2.354 259 I HA 0.659 4.821 4.170 -0.013 0.000 0.292 259 I C 0.289 176.468 176.117 0.104 0.000 0.989 259 I CA -0.949 60.461 61.300 0.182 0.000 1.188 259 I CB 0.968 39.137 38.000 0.282 0.000 1.342 259 I HN 0.685 nan 8.210 nan 0.000 0.457 260 A N 6.648 129.517 122.820 0.082 0.000 2.374 260 A HA 0.661 4.973 4.320 -0.013 0.000 0.317 260 A C -0.658 176.971 177.584 0.075 0.000 1.094 260 A CA -0.581 51.488 52.037 0.054 0.000 0.765 260 A CB 2.181 21.206 19.000 0.041 0.000 1.268 260 A HN 0.650 nan 8.150 nan 0.000 0.438 261 Q N 0.764 120.602 119.800 0.064 0.000 2.312 261 Q HA 0.686 5.018 4.340 -0.013 0.000 0.263 261 Q C -1.164 174.877 176.000 0.069 0.000 0.995 261 Q CA -0.455 55.408 55.803 0.100 0.000 0.853 261 Q CB 1.861 30.679 28.738 0.134 0.000 1.300 261 Q HN 1.090 nan 8.270 nan 0.000 0.448 262 A N 2.533 125.405 122.820 0.086 0.000 2.422 262 A HA 0.795 5.107 4.320 -0.013 0.000 0.302 262 A C -1.212 176.444 177.584 0.120 0.000 1.041 262 A CA -0.212 51.804 52.037 -0.034 0.000 0.708 262 A CB 1.528 20.402 19.000 -0.211 0.000 1.257 262 A HN 0.836 nan 8.150 nan 0.000 0.414 263 S N 0.975 116.764 115.700 0.148 0.000 2.552 263 S HA 0.771 5.233 4.470 -0.013 0.000 0.272 263 S C -3.466 171.237 174.600 0.172 0.000 1.150 263 S CA -1.294 57.018 58.200 0.186 0.000 0.849 263 S CB 1.316 64.645 63.200 0.215 0.000 1.113 263 S HN 0.352 nan 8.310 nan 0.000 0.458 264 P HA 0.288 nan 4.420 nan 0.000 0.265 264 P C -2.607 174.680 177.300 -0.022 0.000 1.193 264 P CA -0.722 62.368 63.100 -0.018 0.000 0.765 264 P CB -0.633 31.035 31.700 -0.053 0.000 0.823 265 P HA 0.036 nan 4.420 nan 0.000 0.257 265 P C -0.684 176.339 177.300 -0.462 0.000 1.189 265 P CA 1.080 63.858 63.100 -0.537 0.000 0.780 265 P CB 0.042 30.989 31.700 -1.255 0.000 0.772 266 D N 3.969 124.331 120.400 -0.063 0.000 2.548 266 D HA 0.101 4.733 4.640 -0.013 0.000 0.214 266 D C 0.695 177.146 176.300 0.253 0.000 1.345 266 D CA -0.341 53.712 54.000 0.088 0.000 0.945 266 D CB 0.989 41.804 40.800 0.025 0.000 1.499 266 D HN -0.031 nan 8.370 nan 0.000 0.579 267 M N 2.407 122.219 119.600 0.354 0.000 2.460 267 M HA -0.010 4.462 4.480 -0.013 0.000 0.263 267 M C 1.552 177.902 176.300 0.084 0.000 1.071 267 M CA 0.851 56.266 55.300 0.192 0.000 1.096 267 M CB -0.371 32.301 32.600 0.119 0.000 1.408 267 M HN 0.404 nan 8.290 nan 0.000 0.463 268 K N -0.007 120.441 120.400 0.082 0.000 2.152 268 K HA -0.180 4.132 4.320 -0.013 0.000 0.206 268 K C 1.875 178.505 176.600 0.050 0.000 1.048 268 K CA 0.893 57.209 56.287 0.049 0.000 0.933 268 K CB -0.217 32.311 32.500 0.047 0.000 0.721 268 K HN 0.162 nan 8.250 nan 0.000 0.447 269 L N 1.830 123.089 121.223 0.061 0.000 1.973 269 L HA -0.095 4.236 4.340 -0.013 0.000 0.208 269 L C -1.291 175.616 176.870 0.062 0.000 1.073 269 L CA 1.791 56.668 54.840 0.063 0.000 0.746 269 L CB -1.037 41.059 42.059 0.062 0.000 0.891 269 L HN 0.033 nan 8.230 nan 0.000 0.433 270 P HA -0.169 nan 4.420 nan 0.000 0.218 270 P C 2.143 179.464 177.300 0.035 0.000 1.148 270 P CA 1.780 64.903 63.100 0.038 0.000 0.822 270 P CB -0.083 31.605 31.700 -0.019 0.000 0.784 271 I N 0.821 121.396 120.570 0.009 0.000 2.142 271 I HA -0.261 3.900 4.170 -0.013 0.000 0.240 271 I C 2.738 178.841 176.117 -0.024 0.000 1.078 271 I CA 2.205 63.491 61.300 -0.022 0.000 1.343 271 I CB -0.880 37.096 38.000 -0.040 0.000 1.046 271 I HN 0.065 nan 8.210 nan 0.000 0.405 272 S N 0.952 116.659 115.700 0.011 0.000 2.382 272 S HA -0.188 4.274 4.470 -0.013 0.000 0.228 272 S C 1.984 176.666 174.600 0.137 0.000 1.027 272 S CA 0.941 59.169 58.200 0.046 0.000 0.991 272 S CB -0.755 62.510 63.200 0.108 0.000 0.823 272 S HN 0.338 nan 8.310 nan 0.000 0.469 273 L N 1.981 123.297 121.223 0.154 0.000 2.156 273 L HA 0.307 4.639 4.340 -0.013 0.000 0.208 273 L C 2.618 179.686 176.870 0.331 0.000 1.095 273 L CA 1.402 56.390 54.840 0.246 0.000 0.770 273 L CB -1.317 40.899 42.059 0.263 0.000 0.914 273 L HN 0.376 nan 8.230 nan 0.000 0.439 274 A N -0.821 122.114 122.820 0.190 0.000 1.930 274 A HA -0.088 4.224 4.320 -0.013 0.000 0.217 274 A C 2.201 179.851 177.584 0.108 0.000 1.175 274 A CA 1.604 53.715 52.037 0.123 0.000 0.627 274 A CB -0.628 18.378 19.000 0.009 0.000 0.815 274 A HN 0.475 nan 8.150 nan 0.000 0.443 275 L N -1.226 120.019 121.223 0.038 0.000 2.109 275 L HA -0.005 4.327 4.340 -0.013 0.000 0.207 275 L C 2.490 179.522 176.870 0.270 0.000 1.086 275 L CA 1.062 55.882 54.840 -0.033 0.000 0.760 275 L CB -0.427 41.307 42.059 -0.542 0.000 0.910 275 L HN 0.474 nan 8.230 nan 0.000 0.437 276 G N -1.995 107.034 108.800 0.381 0.000 3.088 276 G HA2 -0.118 3.834 3.960 -0.013 0.000 0.217 276 G HA3 -0.118 3.834 3.960 -0.013 0.000 0.217 276 G C 0.396 175.456 174.900 0.266 0.000 1.159 276 G CA -0.523 44.826 45.100 0.415 0.000 0.760 276 G HN 0.186 nan 8.290 nan 0.000 0.550 277 W N 2.615 123.981 121.300 0.110 0.000 2.484 277 W HA 0.016 4.666 4.660 -0.016 0.000 0.337 277 W C -1.468 175.088 176.519 0.062 0.000 1.214 277 W CA -0.733 56.657 57.345 0.074 0.000 1.296 277 W CB 0.926 30.419 29.460 0.056 0.000 1.174 277 W HN 0.123 nan 8.180 nan 0.000 0.564 278 P HA 0.053 nan 4.420 nan 0.000 0.255 278 P C -0.068 176.879 177.300 -0.587 0.000 1.248 278 P CA 0.609 63.077 63.100 -1.052 0.000 0.807 278 P CB 0.199 31.460 31.700 -0.732 0.000 1.150 279 R N 0.845 121.200 120.500 -0.242 0.000 2.357 279 R HA 0.332 4.664 4.340 -0.013 0.000 0.296 279 R C 0.579 176.842 176.300 -0.062 0.000 1.052 279 R CA -0.451 55.568 56.100 -0.135 0.000 0.988 279 R CB 0.971 31.228 30.300 -0.071 0.000 1.025 279 R HN 0.071 nan 8.270 nan 0.000 0.469 280 R N 1.305 121.770 120.500 -0.058 0.000 2.539 280 R HA 0.198 4.530 4.340 -0.013 0.000 0.275 280 R C -0.505 175.815 176.300 0.033 0.000 1.077 280 R CA -0.409 55.692 56.100 0.002 0.000 1.097 280 R CB 0.967 31.263 30.300 -0.007 0.000 1.018 280 R HN 0.251 nan 8.270 nan 0.000 0.483 281 V N 2.439 122.399 119.914 0.077 0.000 2.318 281 V HA 0.040 4.152 4.120 -0.013 0.000 0.271 281 V C 0.442 176.577 176.094 0.068 0.000 1.030 281 V CA -0.343 62.013 62.300 0.092 0.000 0.844 281 V CB 1.282 33.218 31.823 0.187 0.000 1.015 281 V HN 0.797 nan 8.190 nan 0.000 0.460 282 S N 4.364 120.088 115.700 0.041 0.000 2.626 282 S HA 0.291 4.753 4.470 -0.013 0.000 0.303 282 S C 1.439 176.065 174.600 0.044 0.000 1.256 282 S CA 1.065 59.285 58.200 0.034 0.000 1.069 282 S CB -0.104 63.107 63.200 0.019 0.000 0.807 282 S HN 1.836 nan 8.310 nan 0.000 0.500 283 G N 3.381 112.207 108.800 0.042 0.000 2.162 283 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.260 283 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.260 283 G C 1.008 175.938 174.900 0.049 0.000 0.976 283 G CA 0.552 45.677 45.100 0.042 0.000 0.655 283 G HN 1.386 nan 8.290 nan 0.000 0.533 284 A N -0.726 122.130 122.820 0.060 0.000 1.948 284 A HA 0.486 4.797 4.320 -0.013 0.000 0.220 284 A C 1.604 179.220 177.584 0.053 0.000 1.177 284 A CA 2.598 54.675 52.037 0.066 0.000 0.636 284 A CB -0.178 18.870 19.000 0.080 0.000 0.815 284 A HN 2.410 nan 8.150 nan 0.000 0.449 285 A N -2.840 120.008 122.820 0.048 0.000 2.606 285 A HA 0.685 4.997 4.320 -0.013 0.000 0.293 285 A C -0.148 177.454 177.584 0.030 0.000 1.082 285 A CA -0.130 51.930 52.037 0.039 0.000 0.685 285 A CB 0.209 19.237 19.000 0.047 0.000 1.284 285 A HN 1.521 nan 8.150 nan 0.000 0.408 286 A N 0.416 123.246 122.820 0.017 0.000 2.477 286 A HA 0.607 4.919 4.320 -0.013 0.000 0.246 286 A C 0.724 178.310 177.584 0.003 0.000 1.078 286 A CA 0.475 52.515 52.037 0.005 0.000 0.770 286 A CB -0.214 18.780 19.000 -0.011 0.000 1.011 286 A HN 2.342 nan 8.150 nan 0.000 0.494 287 A N 1.423 124.240 122.820 -0.004 0.000 2.304 287 A HA 0.469 4.781 4.320 -0.013 0.000 0.271 287 A C 0.489 178.020 177.584 -0.089 0.000 1.091 287 A CA -0.347 51.683 52.037 -0.012 0.000 0.812 287 A CB -0.071 18.934 19.000 0.007 0.000 1.056 287 A HN 1.015 nan 8.150 nan 0.000 0.489 288 C N 1.858 121.081 119.300 -0.129 0.000 2.538 288 C HA 0.071 4.523 4.460 -0.013 0.000 0.408 288 C C 0.635 175.255 174.990 -0.617 0.000 1.421 288 C CA 0.372 59.176 59.018 -0.357 0.000 1.642 288 C CB -1.146 26.348 27.740 -0.411 0.000 2.553 288 C HN 0.785 nan 8.230 nan 0.000 0.604 289 D N 1.890 121.971 120.400 -0.532 0.000 2.359 289 D HA 0.265 4.897 4.640 -0.013 0.000 0.230 289 D C 0.035 176.011 176.300 -0.541 0.000 1.118 289 D CA -0.365 53.367 54.000 -0.446 0.000 0.844 289 D CB 0.337 41.021 40.800 -0.194 0.000 1.059 289 D HN 0.527 nan 8.370 nan 0.000 0.493 290 F N 1.585 121.408 119.950 -0.212 0.000 2.692 290 F HA 0.143 4.666 4.527 -0.007 0.000 0.303 290 F C 1.543 177.262 175.800 -0.135 0.000 1.114 290 F CA -0.152 57.747 58.000 -0.167 0.000 1.361 290 F CB 0.160 39.074 39.000 -0.143 0.000 1.063 290 F HN 0.513 nan 8.300 nan 0.000 0.550 291 H N -1.767 117.357 119.070 0.091 0.000 2.539 291 H HA 0.120 4.667 4.556 -0.014 0.000 0.267 291 H C 0.638 175.984 175.328 0.031 0.000 0.982 291 H CA 0.200 56.282 56.048 0.056 0.000 1.146 291 H CB 0.425 30.208 29.762 0.035 0.000 1.382 291 H HN -0.018 nan 8.280 nan 0.000 0.577 292 T N 0.341 114.956 114.554 0.101 0.000 2.912 292 T HA 0.578 4.920 4.350 -0.013 0.000 0.299 292 T C -0.649 174.074 174.700 0.039 0.000 1.052 292 T CA -0.741 61.394 62.100 0.058 0.000 0.996 292 T CB 0.995 69.883 68.868 0.033 0.000 1.070 292 T HN 0.280 nan 8.240 nan 0.000 0.465 293 A N 3.051 125.888 122.820 0.028 0.000 2.540 293 A HA 0.581 4.893 4.320 -0.013 0.000 0.239 293 A C 0.560 178.148 177.584 0.007 0.000 1.061 293 A CA 0.231 52.276 52.037 0.014 0.000 0.758 293 A CB -0.331 18.672 19.000 0.006 0.000 0.991 293 A HN 1.231 nan 8.150 nan 0.000 0.502 294 S N 0.513 116.205 115.700 -0.012 0.000 2.638 294 S HA 0.811 5.273 4.470 -0.013 0.000 0.274 294 S C -0.583 173.978 174.600 -0.065 0.000 1.157 294 S CA -0.060 58.136 58.200 -0.007 0.000 0.826 294 S CB 1.639 64.866 63.200 0.046 0.000 1.139 294 S HN 1.840 nan 8.310 nan 0.000 0.474 295 S N 0.489 116.193 115.700 0.008 0.000 2.614 295 S HA 0.609 5.071 4.470 -0.013 0.000 0.275 295 S C -2.205 172.544 174.600 0.250 0.000 1.161 295 S CA -0.512 57.699 58.200 0.019 0.000 0.969 295 S CB 0.519 63.737 63.200 0.029 0.000 1.059 295 S HN 0.654 nan 8.310 nan 0.000 0.482 296 W N 3.327 124.657 121.300 0.050 0.000 2.294 296 W HA 0.509 5.161 4.660 -0.013 0.000 0.314 296 W C 0.153 176.607 176.519 -0.109 0.000 1.044 296 W CA -1.155 56.206 57.345 0.028 0.000 1.284 296 W CB 0.117 29.614 29.460 0.062 0.000 1.231 296 W HN 0.660 nan 8.180 nan 0.000 0.419 297 E N 1.802 122.007 120.200 0.010 0.000 2.204 297 E HA 0.632 4.974 4.350 -0.013 0.000 0.276 297 E C -1.230 175.176 176.600 -0.323 0.000 0.974 297 E CA -0.715 55.653 56.400 -0.055 0.000 0.815 297 E CB 1.644 31.343 29.700 -0.001 0.000 1.119 297 E HN 0.069 nan 8.360 nan 0.000 0.393 298 F N 1.395 121.448 119.950 0.172 0.000 2.556 298 F HA 0.323 4.844 4.527 -0.010 0.000 0.314 298 F C -0.132 175.721 175.800 0.088 0.000 1.106 298 F CA -0.812 57.264 58.000 0.127 0.000 0.911 298 F CB 1.815 40.861 39.000 0.077 0.000 1.190 298 F HN 0.353 nan 8.300 nan 0.000 0.448 299 E N 2.528 122.867 120.200 0.231 0.000 2.356 299 E HA 0.548 4.889 4.350 -0.013 0.000 0.275 299 E C -3.241 173.439 176.600 0.134 0.000 0.904 299 E CA -2.589 53.903 56.400 0.154 0.000 0.757 299 E CB 2.611 32.374 29.700 0.105 0.000 1.232 299 E HN 0.123 nan 8.360 nan 0.000 0.442 300 P HA 0.030 nan 4.420 nan 0.000 0.271 300 P C -0.393 176.961 177.300 0.090 0.000 1.216 300 P CA -0.540 62.616 63.100 0.094 0.000 0.776 300 P CB 0.626 32.375 31.700 0.082 0.000 0.881 301 L N 2.542 123.815 121.223 0.083 0.000 2.426 301 L HA 0.181 4.513 4.340 -0.013 0.000 0.271 301 L C 0.364 177.308 176.870 0.123 0.000 1.169 301 L CA 0.305 55.194 54.840 0.082 0.000 0.836 301 L CB -0.255 41.845 42.059 0.069 0.000 1.112 301 L HN 0.245 nan 8.230 nan 0.000 0.465 302 D N 2.288 122.797 120.400 0.181 0.000 2.453 302 D HA 0.056 4.688 4.640 -0.013 0.000 0.223 302 D C 0.971 177.422 176.300 0.251 0.000 1.183 302 D CA 0.366 54.503 54.000 0.229 0.000 0.933 302 D CB 0.796 41.787 40.800 0.319 0.000 1.038 302 D HN 0.755 nan 8.370 nan 0.000 0.513 303 T N -0.116 114.535 114.554 0.162 0.000 3.085 303 T HA -0.072 4.270 4.350 -0.013 0.000 0.263 303 T C 1.064 175.826 174.700 0.104 0.000 1.127 303 T CA 0.361 62.543 62.100 0.137 0.000 1.103 303 T CB 0.339 69.264 68.868 0.095 0.000 0.921 303 T HN 0.163 nan 8.240 nan 0.000 0.510 304 D N 1.366 121.821 120.400 0.092 0.000 2.120 304 D HA 0.024 4.655 4.640 -0.013 0.000 0.202 304 D C 2.224 178.528 176.300 0.006 0.000 0.972 304 D CA 0.770 54.798 54.000 0.047 0.000 0.837 304 D CB -0.075 40.752 40.800 0.044 0.000 0.989 304 D HN 0.332 nan 8.370 nan 0.000 0.469 305 V N -0.133 119.784 119.914 0.006 0.000 2.788 305 V HA -0.036 4.076 4.120 -0.013 0.000 0.251 305 V C 0.526 176.349 176.094 -0.453 0.000 1.068 305 V CA 0.840 63.017 62.300 -0.205 0.000 1.090 305 V CB -0.206 31.505 31.823 -0.187 0.000 0.710 305 V HN 0.019 nan 8.190 nan 0.000 0.467 306 F N 1.285 121.274 119.950 0.065 0.000 2.531 306 F HA 0.402 4.922 4.527 -0.011 0.000 0.333 306 F C -1.828 173.999 175.800 0.044 0.000 1.292 306 F CA -1.727 56.308 58.000 0.058 0.000 1.184 306 F CB 1.123 40.172 39.000 0.081 0.000 1.426 306 F HN 0.055 nan 8.300 nan 0.000 0.559 307 P HA 0.068 nan 4.420 nan 0.000 0.253 307 P C 1.234 178.597 177.300 0.105 0.000 1.260 307 P CA 0.437 63.593 63.100 0.093 0.000 0.800 307 P CB 0.381 32.105 31.700 0.040 0.000 1.162 308 A N 0.226 123.129 122.820 0.139 0.000 1.972 308 A HA -0.093 4.219 4.320 -0.013 0.000 0.219 308 A C 2.214 179.907 177.584 0.182 0.000 1.169 308 A CA 1.464 53.605 52.037 0.173 0.000 0.635 308 A CB -1.376 17.722 19.000 0.163 0.000 0.810 308 A HN 0.102 nan 8.150 nan 0.000 0.446 309 V N -0.226 119.763 119.914 0.125 0.000 2.323 309 V HA -0.180 3.932 4.120 -0.013 0.000 0.244 309 V C 2.576 178.680 176.094 0.016 0.000 1.041 309 V CA 2.226 64.568 62.300 0.069 0.000 1.025 309 V CB -0.570 31.298 31.823 0.075 0.000 0.656 309 V HN 0.684 nan 8.190 nan 0.000 0.451 310 E N 0.329 120.549 120.200 0.033 0.000 2.110 310 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 310 E C 1.898 178.480 176.600 -0.031 0.000 0.988 310 E CA 1.164 57.564 56.400 -0.000 0.000 0.804 310 E CB -0.407 29.306 29.700 0.022 0.000 0.745 310 E HN 0.354 nan 8.360 nan 0.000 0.458 311 L N 0.083 121.319 121.223 0.022 0.000 2.083 311 L HA -0.003 4.329 4.340 -0.013 0.000 0.209 311 L C 2.179 179.006 176.870 -0.071 0.000 1.083 311 L CA 1.887 56.760 54.840 0.056 0.000 0.752 311 L CB -0.997 41.173 42.059 0.185 0.000 0.899 311 L HN 0.240 nan 8.230 nan 0.000 0.433 312 A N -0.931 121.740 122.820 -0.249 0.000 1.930 312 A HA -0.179 4.133 4.320 -0.013 0.000 0.217 312 A C 2.407 179.677 177.584 -0.524 0.000 1.175 312 A CA 1.331 52.962 52.037 -0.677 0.000 0.627 312 A CB -0.400 18.227 19.000 -0.623 0.000 0.815 312 A HN 0.398 nan 8.150 nan 0.000 0.443 313 R N -0.528 119.734 120.500 -0.396 0.000 2.081 313 R HA -0.157 4.175 4.340 -0.013 0.000 0.235 313 R C 2.469 178.433 176.300 -0.559 0.000 1.131 313 R CA 1.742 57.489 56.100 -0.588 0.000 0.960 313 R CB -0.358 29.785 30.300 -0.262 0.000 0.856 313 R HN 0.679 nan 8.270 nan 0.000 0.436 314 Q N 0.067 119.687 119.800 -0.299 0.000 2.050 314 Q HA -0.135 4.197 4.340 -0.013 0.000 0.202 314 Q C 2.240 178.118 176.000 -0.202 0.000 0.980 314 Q CA 1.685 57.371 55.803 -0.194 0.000 0.840 314 Q CB -0.180 28.509 28.738 -0.081 0.000 0.898 314 Q HN 0.374 nan 8.270 nan 0.000 0.424 315 A N 0.775 123.469 122.820 -0.210 0.000 1.933 315 A HA -0.104 4.208 4.320 -0.013 0.000 0.218 315 A C 2.264 179.714 177.584 -0.223 0.000 1.175 315 A CA 1.633 53.578 52.037 -0.153 0.000 0.628 315 A CB -1.088 17.841 19.000 -0.119 0.000 0.814 315 A HN 0.486 nan 8.150 nan 0.000 0.444 316 G N -0.800 107.728 108.800 -0.453 0.000 2.408 316 G HA2 -0.046 3.906 3.960 -0.013 0.000 0.217 316 G HA3 -0.046 3.906 3.960 -0.013 0.000 0.217 316 G C 1.484 176.167 174.900 -0.362 0.000 1.150 316 G CA 1.084 45.881 45.100 -0.506 0.000 0.776 316 G HN 0.293 nan 8.290 nan 0.000 0.542 317 V N 1.509 121.135 119.914 -0.480 0.000 2.407 317 V HA -0.115 3.997 4.120 -0.013 0.000 0.248 317 V C 3.296 179.340 176.094 -0.084 0.000 1.055 317 V CA 1.933 64.119 62.300 -0.190 0.000 1.049 317 V CB -0.630 31.089 31.823 -0.173 0.000 0.662 317 V HN 0.457 nan 8.190 nan 0.000 0.455 318 A N -0.860 121.904 122.820 -0.093 0.000 1.972 318 A HA 0.257 4.569 4.320 -0.013 0.000 0.219 318 A C 1.711 179.290 177.584 -0.008 0.000 1.169 318 A CA 1.472 53.486 52.037 -0.040 0.000 0.635 318 A CB -0.920 18.061 19.000 -0.031 0.000 0.810 318 A HN 1.122 nan 8.150 nan 0.000 0.446 319 G N -2.396 106.403 108.800 -0.002 0.000 2.641 319 G HA2 0.212 4.164 3.960 -0.013 0.000 0.254 319 G HA3 0.212 4.164 3.960 -0.013 0.000 0.254 319 G C 1.296 176.224 174.900 0.048 0.000 1.315 319 G CA 0.777 45.901 45.100 0.039 0.000 0.907 319 G HN 2.291 nan 8.290 nan 0.000 0.572 320 G N -2.241 106.592 108.800 0.055 0.000 2.595 320 G HA2 -0.176 3.776 3.960 -0.013 0.000 0.297 320 G HA3 -0.176 3.776 3.960 -0.013 0.000 0.297 320 G C 1.299 176.241 174.900 0.069 0.000 1.181 320 G CA 1.781 46.917 45.100 0.061 0.000 0.963 320 G HN 2.197 nan 8.290 nan 0.000 0.541 321 C N 1.396 120.755 119.300 0.100 0.000 3.000 321 C HA 0.495 4.947 4.460 -0.013 0.000 0.286 321 C C 2.567 177.603 174.990 0.077 0.000 1.343 321 C CA 0.540 59.604 59.018 0.077 0.000 1.742 321 C CB -0.730 27.061 27.740 0.085 0.000 2.200 321 C HN 0.530 nan 8.230 nan 0.000 0.621 322 M N 1.712 121.370 119.600 0.096 0.000 2.296 322 M HA -0.072 4.400 4.480 -0.013 0.000 0.265 322 M C 2.349 178.706 176.300 0.094 0.000 1.064 322 M CA 1.733 57.094 55.300 0.102 0.000 1.109 322 M CB -1.434 31.209 32.600 0.072 0.000 1.396 322 M HN 0.663 nan 8.290 nan 0.000 0.430 323 T N -1.744 112.848 114.554 0.063 0.000 2.942 323 T HA 0.129 4.471 4.350 -0.013 0.000 0.265 323 T C 1.934 176.700 174.700 0.110 0.000 1.062 323 T CA 0.968 63.113 62.100 0.074 0.000 1.139 323 T CB -0.414 68.469 68.868 0.026 0.000 0.883 323 T HN 0.287 nan 8.240 nan 0.000 0.468 324 A N 1.344 124.197 122.820 0.055 0.000 1.933 324 A HA 0.058 4.370 4.320 -0.013 0.000 0.218 324 A C 2.565 180.159 177.584 0.017 0.000 1.175 324 A CA 1.531 53.577 52.037 0.015 0.000 0.628 324 A CB -1.091 17.884 19.000 -0.042 0.000 0.814 324 A HN 0.412 nan 8.150 nan 0.000 0.444 325 V N -1.529 118.411 119.914 0.043 0.000 2.358 325 V HA -0.269 3.842 4.120 -0.013 0.000 0.246 325 V C 2.331 178.497 176.094 0.119 0.000 1.047 325 V CA 2.013 64.366 62.300 0.088 0.000 1.035 325 V CB -1.031 30.897 31.823 0.175 0.000 0.658 325 V HN 0.736 nan 8.190 nan 0.000 0.452 326 Y N 1.687 122.002 120.300 0.025 0.000 2.181 326 Y HA -0.258 4.283 4.550 -0.015 0.000 0.288 326 Y C 2.556 178.455 175.900 -0.002 0.000 1.146 326 Y CA 2.279 60.387 58.100 0.013 0.000 1.164 326 Y CB -0.247 38.216 38.460 0.004 0.000 0.982 326 Y HN 0.367 nan 8.280 nan 0.000 0.515 327 N N 0.542 119.335 118.700 0.156 0.000 2.062 327 N HA -0.175 4.557 4.740 -0.013 0.000 0.191 327 N C 1.961 177.443 175.510 -0.047 0.000 1.042 327 N CA 2.085 55.164 53.050 0.048 0.000 0.845 327 N CB -0.832 37.706 38.487 0.085 0.000 1.024 327 N HN 0.433 nan 8.380 nan 0.000 0.424 328 A N 0.265 123.067 122.820 -0.031 0.000 1.978 328 A HA -0.021 4.291 4.320 -0.013 0.000 0.220 328 A C 2.322 179.859 177.584 -0.079 0.000 1.170 328 A CA 2.138 54.142 52.037 -0.054 0.000 0.636 328 A CB -1.242 17.725 19.000 -0.055 0.000 0.810 328 A HN 0.498 nan 8.150 nan 0.000 0.448 329 A N 0.140 122.905 122.820 -0.092 0.000 1.930 329 A HA -0.188 4.123 4.320 -0.013 0.000 0.217 329 A C 1.944 179.436 177.584 -0.154 0.000 1.175 329 A CA 2.010 53.975 52.037 -0.119 0.000 0.627 329 A CB -0.701 18.234 19.000 -0.107 0.000 0.815 329 A HN 0.664 nan 8.150 nan 0.000 0.443 330 N N -0.046 118.530 118.700 -0.206 0.000 2.058 330 N HA -0.180 4.552 4.740 -0.013 0.000 0.191 330 N C 1.607 177.047 175.510 -0.117 0.000 1.037 330 N CA 1.992 54.918 53.050 -0.207 0.000 0.848 330 N CB -0.339 37.989 38.487 -0.266 0.000 1.021 330 N HN 0.599 nan 8.380 nan 0.000 0.422 331 E N -0.301 119.847 120.200 -0.086 0.000 2.086 331 E HA -0.224 4.118 4.350 -0.013 0.000 0.200 331 E C 1.718 178.294 176.600 -0.041 0.000 1.012 331 E CA 1.361 57.732 56.400 -0.049 0.000 0.812 331 E CB -0.101 29.575 29.700 -0.041 0.000 0.743 331 E HN 0.473 nan 8.360 nan 0.000 0.453 332 E N 0.211 120.377 120.200 -0.057 0.000 2.072 332 E HA -0.106 4.236 4.350 -0.013 0.000 0.190 332 E C 2.046 178.622 176.600 -0.040 0.000 0.982 332 E CA 1.018 57.388 56.400 -0.050 0.000 0.803 332 E CB -0.296 29.362 29.700 -0.070 0.000 0.755 332 E HN 0.260 nan 8.360 nan 0.000 0.453 333 A N 1.418 124.203 122.820 -0.059 0.000 1.969 333 A HA 0.032 4.344 4.320 -0.013 0.000 0.218 333 A C 2.360 179.944 177.584 0.000 0.000 1.169 333 A CA 1.682 53.691 52.037 -0.047 0.000 0.635 333 A CB -0.377 18.566 19.000 -0.095 0.000 0.810 333 A HN 0.244 nan 8.150 nan 0.000 0.445 334 A N -0.082 122.736 122.820 -0.005 0.000 1.897 334 A HA 0.260 4.572 4.320 -0.013 0.000 0.215 334 A C 2.479 180.138 177.584 0.124 0.000 1.181 334 A CA 1.704 53.778 52.037 0.062 0.000 0.620 334 A CB -0.958 18.055 19.000 0.022 0.000 0.821 334 A HN 0.976 nan 8.150 nan 0.000 0.443 335 A N 0.022 122.879 122.820 0.061 0.000 1.940 335 A HA 0.128 4.440 4.320 -0.013 0.000 0.219 335 A C 2.454 180.069 177.584 0.052 0.000 1.176 335 A CA 2.083 54.150 52.037 0.049 0.000 0.631 335 A CB -0.933 18.077 19.000 0.017 0.000 0.814 335 A HN 1.048 nan 8.150 nan 0.000 0.446 336 A N -1.465 121.387 122.820 0.053 0.000 1.969 336 A HA 0.011 4.323 4.320 -0.013 0.000 0.218 336 A C 1.994 179.633 177.584 0.092 0.000 1.169 336 A CA 1.508 53.575 52.037 0.049 0.000 0.635 336 A CB -0.615 18.405 19.000 0.032 0.000 0.810 336 A HN 0.673 nan 8.150 nan 0.000 0.445 337 F N 0.547 120.497 119.950 0.000 0.000 2.128 337 F HA -0.039 4.478 4.527 -0.017 0.000 0.295 337 F C 1.837 177.665 175.800 0.046 0.000 1.100 337 F CA 1.497 59.515 58.000 0.029 0.000 1.260 337 F CB -0.250 38.778 39.000 0.047 0.000 1.009 337 F HN 0.120 nan 8.300 nan 0.000 0.476 338 L N -0.089 121.141 121.223 0.013 0.000 2.141 338 L HA -0.125 4.207 4.340 -0.013 0.000 0.209 338 L C 2.700 179.507 176.870 -0.105 0.000 1.094 338 L CA 1.000 55.794 54.840 -0.076 0.000 0.763 338 L CB -1.177 40.919 42.059 0.062 0.000 0.908 338 L HN 0.242 nan 8.230 nan 0.000 0.437 339 A N -0.309 122.475 122.820 -0.060 0.000 2.015 339 A HA 0.099 4.411 4.320 -0.013 0.000 0.219 339 A C 1.855 179.389 177.584 -0.083 0.000 1.163 339 A CA 1.321 53.326 52.037 -0.053 0.000 0.646 339 A CB -0.455 18.530 19.000 -0.024 0.000 0.806 339 A HN 0.549 nan 8.150 nan 0.000 0.448 340 G N -1.667 107.055 108.800 -0.130 0.000 2.148 340 G HA2 -0.217 3.735 3.960 -0.013 0.000 0.203 340 G HA3 -0.217 3.735 3.960 -0.013 0.000 0.203 340 G C 0.888 175.744 174.900 -0.073 0.000 0.993 340 G CA 0.824 45.837 45.100 -0.144 0.000 0.661 340 G HN 0.605 nan 8.290 nan 0.000 0.518 341 R N 0.737 121.214 120.500 -0.038 0.000 2.100 341 R HA 0.404 4.736 4.340 -0.013 0.000 0.220 341 R C 1.376 177.686 176.300 0.017 0.000 1.091 341 R CA 1.719 57.814 56.100 -0.008 0.000 0.986 341 R CB -0.200 30.097 30.300 -0.004 0.000 0.888 341 R HN 0.989 nan 8.270 nan 0.000 0.444 342 I N -2.899 117.705 120.570 0.056 0.000 3.002 342 I HA 0.707 4.869 4.170 -0.013 0.000 0.310 342 I C 0.322 176.568 176.117 0.215 0.000 1.087 342 I CA -1.466 59.894 61.300 0.099 0.000 1.017 342 I CB 2.016 40.065 38.000 0.081 0.000 1.226 342 I HN 0.000 nan 8.210 nan 0.000 0.443 343 G N 1.076 109.986 108.800 0.185 0.000 2.599 343 G HA2 0.218 4.170 3.960 -0.013 0.000 0.264 343 G HA3 0.218 4.170 3.960 -0.013 0.000 0.264 343 G C -0.055 175.019 174.900 0.289 0.000 1.200 343 G CA -0.396 44.865 45.100 0.269 0.000 0.896 343 G HN 0.758 nan 8.290 nan 0.000 0.536 344 F N 1.813 121.807 119.950 0.073 0.000 2.069 344 F HA -0.021 4.497 4.527 -0.014 0.000 0.298 344 F C 0.348 175.955 175.800 -0.320 0.000 1.113 344 F CA 1.841 59.589 58.000 -0.419 0.000 1.214 344 F CB -0.420 38.334 39.000 -0.410 0.000 0.978 344 F HN 0.307 nan 8.300 nan 0.000 0.474 345 P HA -0.109 nan 4.420 nan 0.000 0.228 345 P C 0.994 178.150 177.300 -0.239 0.000 1.151 345 P CA 1.708 64.655 63.100 -0.256 0.000 0.770 345 P CB -0.480 31.142 31.700 -0.130 0.000 0.786 346 A N -0.721 121.988 122.820 -0.184 0.000 2.167 346 A HA 0.004 4.316 4.320 -0.013 0.000 0.214 346 A C 2.130 179.611 177.584 -0.172 0.000 1.151 346 A CA 0.341 52.299 52.037 -0.132 0.000 0.735 346 A CB -1.204 17.764 19.000 -0.054 0.000 0.802 346 A HN 0.123 nan 8.150 nan 0.000 0.467 347 I N -0.761 119.637 120.570 -0.286 0.000 2.163 347 I HA -0.189 3.973 4.170 -0.013 0.000 0.240 347 I C 2.194 178.160 176.117 -0.251 0.000 1.081 347 I CA 1.238 62.364 61.300 -0.290 0.000 1.353 347 I CB -0.254 37.485 38.000 -0.436 0.000 1.054 347 I HN 0.140 nan 8.210 nan 0.000 0.407 348 V N 0.749 120.500 119.914 -0.272 0.000 2.591 348 V HA -0.056 4.056 4.120 -0.013 0.000 0.249 348 V C 2.483 178.498 176.094 -0.133 0.000 1.053 348 V CA 1.700 63.885 62.300 -0.191 0.000 1.068 348 V CB -1.026 30.697 31.823 -0.167 0.000 0.689 348 V HN 0.555 nan 8.190 nan 0.000 0.462 349 G N 0.052 108.770 108.800 -0.137 0.000 2.422 349 G HA2 -0.196 3.756 3.960 -0.013 0.000 0.218 349 G HA3 -0.196 3.756 3.960 -0.013 0.000 0.218 349 G C 1.576 176.429 174.900 -0.078 0.000 1.146 349 G CA 0.812 45.854 45.100 -0.097 0.000 0.769 349 G HN 0.484 nan 8.290 nan 0.000 0.547 350 I N 0.370 120.884 120.570 -0.093 0.000 2.353 350 I HA -0.034 4.128 4.170 -0.013 0.000 0.248 350 I C 2.570 178.643 176.117 -0.073 0.000 1.119 350 I CA 0.401 61.655 61.300 -0.078 0.000 1.417 350 I CB -0.068 37.880 38.000 -0.087 0.000 1.078 350 I HN 0.146 nan 8.210 nan 0.000 0.421 351 I N 0.732 121.238 120.570 -0.106 0.000 2.163 351 I HA -0.335 3.827 4.170 -0.013 0.000 0.243 351 I C 2.815 178.927 176.117 -0.008 0.000 1.085 351 I CA 1.491 62.727 61.300 -0.106 0.000 1.347 351 I CB -0.528 37.340 38.000 -0.221 0.000 1.044 351 I HN 0.196 nan 8.210 nan 0.000 0.408 352 A N 0.712 123.531 122.820 -0.002 0.000 1.865 352 A HA -0.276 4.036 4.320 -0.013 0.000 0.217 352 A C 1.937 179.562 177.584 0.068 0.000 1.191 352 A CA 2.386 54.445 52.037 0.037 0.000 0.623 352 A CB -0.757 18.244 19.000 0.001 0.000 0.826 352 A HN 0.370 nan 8.150 nan 0.000 0.444 353 D N -0.497 119.923 120.400 0.034 0.000 2.144 353 D HA -0.092 4.540 4.640 -0.013 0.000 0.199 353 D C 1.995 178.378 176.300 0.138 0.000 0.984 353 D CA 1.361 55.399 54.000 0.064 0.000 0.834 353 D CB -0.420 40.387 40.800 0.012 0.000 0.955 353 D HN 0.228 nan 8.370 nan 0.000 0.465 354 V N 0.725 120.698 119.914 0.099 0.000 2.379 354 V HA -0.159 3.953 4.120 -0.013 0.000 0.245 354 V C 2.558 178.826 176.094 0.291 0.000 1.044 354 V CA 0.958 63.345 62.300 0.145 0.000 1.036 354 V CB -0.399 31.444 31.823 0.034 0.000 0.664 354 V HN 0.210 nan 8.190 nan 0.000 0.453 355 L N -0.306 121.053 121.223 0.228 0.000 2.083 355 L HA -0.225 4.107 4.340 -0.013 0.000 0.209 355 L C 2.564 179.566 176.870 0.219 0.000 1.083 355 L CA 1.980 56.959 54.840 0.232 0.000 0.752 355 L CB -0.777 41.394 42.059 0.187 0.000 0.899 355 L HN 0.477 nan 8.230 nan 0.000 0.433 356 H N -0.023 119.123 119.070 0.125 0.000 2.491 356 H HA -0.069 4.479 4.556 -0.014 0.000 0.290 356 H C 1.882 177.282 175.328 0.120 0.000 1.050 356 H CA 1.247 57.352 56.048 0.095 0.000 1.309 356 H CB 0.281 30.083 29.762 0.068 0.000 1.392 356 H HN 0.285 nan 8.280 nan 0.000 0.554 357 A N -0.314 122.618 122.820 0.187 0.000 2.267 357 A HA 0.476 4.788 4.320 -0.013 0.000 0.213 357 A C 1.848 179.555 177.584 0.204 0.000 1.192 357 A CA 0.377 52.545 52.037 0.218 0.000 0.851 357 A CB -0.250 18.995 19.000 0.409 0.000 0.881 357 A HN 0.445 nan 8.150 nan 0.000 0.494 358 A N 0.174 123.097 122.820 0.173 0.000 2.412 358 A HA 0.292 4.604 4.320 -0.013 0.000 0.253 358 A C 0.845 178.310 177.584 -0.198 0.000 1.334 358 A CA 0.496 52.493 52.037 -0.067 0.000 0.929 358 A CB -0.724 18.434 19.000 0.262 0.000 0.983 358 A HN 0.402 nan 8.150 nan 0.000 0.508 359 D N 1.069 121.330 120.400 -0.232 0.000 2.204 359 D HA -0.335 4.297 4.640 -0.013 0.000 0.189 359 D C 2.232 178.334 176.300 -0.330 0.000 1.006 359 D CA 2.425 56.280 54.000 -0.241 0.000 0.855 359 D CB -0.173 40.489 40.800 -0.230 0.000 0.946 359 D HN 0.841 nan 8.370 nan 0.000 0.448 360 Q N -0.735 118.713 119.800 -0.585 0.000 2.364 360 Q HA -0.127 4.205 4.340 -0.013 0.000 0.207 360 Q C 0.999 176.594 176.000 -0.675 0.000 0.970 360 Q CA 0.852 56.220 55.803 -0.725 0.000 0.888 360 Q CB -0.581 27.527 28.738 -1.050 0.000 0.951 360 Q HN 0.524 nan 8.270 nan 0.000 0.469 361 W N 0.402 121.545 121.300 -0.262 0.000 3.447 361 W HA 0.465 5.118 4.660 -0.012 0.000 0.348 361 W C 1.276 177.730 176.519 -0.107 0.000 1.220 361 W CA -0.187 57.046 57.345 -0.186 0.000 1.809 361 W CB 0.392 29.731 29.460 -0.202 0.000 1.040 361 W HN 0.227 nan 8.180 nan 0.000 0.735 362 A N -0.285 122.555 122.820 0.033 0.000 2.238 362 A HA 0.170 4.482 4.320 -0.013 0.000 0.210 362 A C 0.735 178.331 177.584 0.021 0.000 1.179 362 A CA 0.095 52.147 52.037 0.025 0.000 0.827 362 A CB -0.275 18.714 19.000 -0.018 0.000 0.856 362 A HN -0.026 nan 8.150 nan 0.000 0.488 363 V N 2.228 122.151 119.914 0.014 0.000 2.655 363 V HA 0.035 4.147 4.120 -0.013 0.000 0.300 363 V C 0.292 176.418 176.094 0.054 0.000 1.044 363 V CA -0.474 61.835 62.300 0.016 0.000 1.095 363 V CB 0.438 32.256 31.823 -0.008 0.000 0.952 363 V HN 0.429 nan 8.190 nan 0.000 0.485 364 E N 5.806 126.027 120.200 0.036 0.000 2.392 364 E HA 0.187 4.529 4.350 -0.013 0.000 0.264 364 E C -2.192 174.435 176.600 0.044 0.000 1.024 364 E CA -1.441 54.982 56.400 0.039 0.000 0.903 364 E CB 0.438 30.153 29.700 0.025 0.000 0.963 364 E HN 0.499 nan 8.360 nan 0.000 0.432 365 P HA 0.132 nan 4.420 nan 0.000 0.280 365 P C -0.369 176.946 177.300 0.024 0.000 1.244 365 P CA -0.084 63.040 63.100 0.040 0.000 0.784 365 P CB 1.339 33.057 31.700 0.029 0.000 0.913 366 A N 3.372 126.206 122.820 0.024 0.000 1.956 366 A HA 0.190 4.502 4.320 -0.013 0.000 0.212 366 A C 1.029 178.618 177.584 0.009 0.000 1.188 366 A CA 1.391 53.436 52.037 0.014 0.000 0.675 366 A CB -0.525 18.484 19.000 0.014 0.000 0.845 366 A HN 0.657 nan 8.150 nan 0.000 0.455 367 T N -5.214 109.347 114.554 0.012 0.000 2.865 367 T HA 0.438 4.780 4.350 -0.013 0.000 0.294 367 T C 0.790 175.493 174.700 0.004 0.000 1.119 367 T CA 0.098 62.202 62.100 0.006 0.000 1.007 367 T CB 1.205 70.078 68.868 0.008 0.000 1.225 367 T HN 0.140 nan 8.240 nan 0.000 0.515 368 V N 0.906 120.818 119.914 -0.004 0.000 2.453 368 V HA -0.170 3.942 4.120 -0.013 0.000 0.252 368 V C 2.291 178.380 176.094 -0.008 0.000 1.068 368 V CA 2.073 64.367 62.300 -0.010 0.000 1.070 368 V CB -0.874 30.941 31.823 -0.014 0.000 0.664 368 V HN 0.872 nan 8.190 nan 0.000 0.461 369 D N 0.070 120.472 120.400 0.002 0.000 2.144 369 D HA -0.145 4.486 4.640 -0.013 0.000 0.200 369 D C 1.900 178.210 176.300 0.015 0.000 0.978 369 D CA 1.376 55.380 54.000 0.008 0.000 0.833 369 D CB -0.213 40.598 40.800 0.018 0.000 0.961 369 D HN 0.448 nan 8.370 nan 0.000 0.470 370 D N 0.614 121.033 120.400 0.032 0.000 2.116 370 D HA -0.131 4.501 4.640 -0.013 0.000 0.193 370 D C 2.350 178.650 176.300 -0.000 0.000 0.998 370 D CA 0.623 54.660 54.000 0.062 0.000 0.836 370 D CB -0.373 40.472 40.800 0.076 0.000 0.951 370 D HN 0.096 nan 8.370 nan 0.000 0.449 371 V N 1.242 121.142 119.914 -0.023 0.000 2.295 371 V HA -0.229 3.883 4.120 -0.013 0.000 0.246 371 V C 2.710 178.738 176.094 -0.110 0.000 1.049 371 V CA 1.223 63.485 62.300 -0.065 0.000 1.024 371 V CB -0.569 31.230 31.823 -0.040 0.000 0.648 371 V HN 0.186 nan 8.190 nan 0.000 0.447 372 L N -0.258 120.921 121.223 -0.074 0.000 2.046 372 L HA -0.177 4.155 4.340 -0.013 0.000 0.208 372 L C 2.414 179.221 176.870 -0.105 0.000 1.077 372 L CA 1.538 56.334 54.840 -0.073 0.000 0.747 372 L CB -0.840 41.198 42.059 -0.035 0.000 0.896 372 L HN 0.321 nan 8.230 nan 0.000 0.432 373 D N 0.424 120.764 120.400 -0.099 0.000 2.123 373 D HA -0.180 4.452 4.640 -0.013 0.000 0.196 373 D C 2.245 178.256 176.300 -0.482 0.000 0.992 373 D CA 1.632 55.566 54.000 -0.110 0.000 0.833 373 D CB -0.072 40.777 40.800 0.082 0.000 0.954 373 D HN 0.323 nan 8.370 nan 0.000 0.455 374 A N 0.681 122.982 122.820 -0.865 0.000 1.902 374 A HA -0.222 4.090 4.320 -0.013 0.000 0.217 374 A C 2.134 179.323 177.584 -0.659 0.000 1.181 374 A CA 1.458 52.605 52.037 -1.485 0.000 0.623 374 A CB -0.567 17.807 19.000 -1.043 0.000 0.818 374 A HN 0.238 nan 8.150 nan 0.000 0.443 375 Q N -1.005 118.592 119.800 -0.339 0.000 2.079 375 Q HA -0.148 4.184 4.340 -0.013 0.000 0.200 375 Q C 2.373 178.306 176.000 -0.112 0.000 0.974 375 Q CA 1.392 57.094 55.803 -0.168 0.000 0.840 375 Q CB -0.207 28.462 28.738 -0.115 0.000 0.898 375 Q HN 0.669 nan 8.270 nan 0.000 0.430 376 R N 0.124 120.566 120.500 -0.097 0.000 2.094 376 R HA -0.230 4.102 4.340 -0.013 0.000 0.239 376 R C 1.966 178.270 176.300 0.008 0.000 1.137 376 R CA 1.999 58.078 56.100 -0.034 0.000 0.943 376 R CB -0.423 29.877 30.300 0.000 0.000 0.850 376 R HN 0.393 nan 8.270 nan 0.000 0.433 377 W N 0.718 121.937 121.300 -0.134 0.000 2.333 377 W HA -0.241 4.411 4.660 -0.014 0.000 0.316 377 W C 2.135 178.636 176.519 -0.031 0.000 1.215 377 W CA 2.412 59.752 57.345 -0.010 0.000 1.278 377 W CB -0.543 29.019 29.460 0.171 0.000 1.154 377 W HN 0.253 nan 8.180 nan 0.000 0.486 378 A N 0.786 123.649 122.820 0.071 0.000 1.908 378 A HA -0.231 4.081 4.320 -0.013 0.000 0.218 378 A C 2.027 179.475 177.584 -0.226 0.000 1.181 378 A CA 2.052 54.033 52.037 -0.093 0.000 0.627 378 A CB -0.877 18.154 19.000 0.051 0.000 0.818 378 A HN 0.443 nan 8.150 nan 0.000 0.445 379 R N -0.790 119.617 120.500 -0.156 0.000 2.080 379 R HA -0.181 4.151 4.340 -0.013 0.000 0.236 379 R C 2.357 178.550 176.300 -0.179 0.000 1.137 379 R CA 1.650 57.667 56.100 -0.139 0.000 0.943 379 R CB -0.431 29.813 30.300 -0.093 0.000 0.846 379 R HN 0.788 nan 8.270 nan 0.000 0.431 380 E N 0.551 120.624 120.200 -0.212 0.000 2.038 380 E HA -0.258 4.084 4.350 -0.013 0.000 0.195 380 E C 2.133 178.545 176.600 -0.314 0.000 1.000 380 E CA 1.238 57.503 56.400 -0.225 0.000 0.803 380 E CB 0.042 29.619 29.700 -0.204 0.000 0.750 380 E HN -0.019 nan 8.360 nan 0.000 0.448 381 R N 0.640 120.808 120.500 -0.554 0.000 2.096 381 R HA -0.082 4.250 4.340 -0.013 0.000 0.235 381 R C 1.924 178.027 176.300 -0.328 0.000 1.127 381 R CA 1.726 57.475 56.100 -0.585 0.000 0.968 381 R CB -0.858 28.744 30.300 -1.164 0.000 0.861 381 R HN 0.240 nan 8.270 nan 0.000 0.440 382 A N 0.202 122.855 122.820 -0.278 0.000 1.902 382 A HA -0.169 4.143 4.320 -0.013 0.000 0.217 382 A C 2.114 179.621 177.584 -0.129 0.000 1.181 382 A CA 1.396 53.331 52.037 -0.170 0.000 0.623 382 A CB -0.579 18.334 19.000 -0.144 0.000 0.818 382 A HN 0.394 nan 8.150 nan 0.000 0.443 383 Q N -0.045 119.676 119.800 -0.131 0.000 2.050 383 Q HA -0.157 4.175 4.340 -0.013 0.000 0.202 383 Q C 2.285 178.233 176.000 -0.086 0.000 0.980 383 Q CA 1.525 57.271 55.803 -0.094 0.000 0.840 383 Q CB -0.296 28.390 28.738 -0.087 0.000 0.898 383 Q HN 0.698 nan 8.270 nan 0.000 0.424 384 R N -0.402 120.033 120.500 -0.108 0.000 2.096 384 R HA -0.105 4.227 4.340 -0.013 0.000 0.235 384 R C 2.195 178.454 176.300 -0.068 0.000 1.127 384 R CA 1.117 57.166 56.100 -0.085 0.000 0.968 384 R CB -0.319 29.922 30.300 -0.098 0.000 0.861 384 R HN 0.212 nan 8.270 nan 0.000 0.440 385 A N 0.696 123.469 122.820 -0.079 0.000 1.930 385 A HA -0.079 4.233 4.320 -0.013 0.000 0.217 385 A C 2.369 179.925 177.584 -0.047 0.000 1.175 385 A CA 1.089 53.091 52.037 -0.059 0.000 0.627 385 A CB -0.389 18.572 19.000 -0.066 0.000 0.815 385 A HN 0.094 nan 8.150 nan 0.000 0.443 386 V N -0.178 119.706 119.914 -0.050 0.000 2.295 386 V HA -0.226 3.886 4.120 -0.013 0.000 0.246 386 V C 2.753 178.830 176.094 -0.028 0.000 1.049 386 V CA 2.302 64.581 62.300 -0.035 0.000 1.024 386 V CB -0.843 30.960 31.823 -0.034 0.000 0.648 386 V HN 0.551 nan 8.190 nan 0.000 0.447 387 S N 0.565 116.245 115.700 -0.033 0.000 2.402 387 S HA -0.180 4.282 4.470 -0.013 0.000 0.233 387 S C 1.841 176.428 174.600 -0.021 0.000 1.030 387 S CA 1.398 59.582 58.200 -0.026 0.000 1.003 387 S CB -0.561 62.621 63.200 -0.030 0.000 0.813 387 S HN 0.734 nan 8.310 nan 0.000 0.477 388 G N 0.904 109.690 108.800 -0.023 0.000 2.920 388 G HA2 0.301 4.253 3.960 -0.013 0.000 0.208 388 G HA3 0.301 4.253 3.960 -0.013 0.000 0.208 388 G C 0.269 175.160 174.900 -0.015 0.000 1.159 388 G CA 0.143 45.232 45.100 -0.018 0.000 0.784 388 G HN 0.575 nan 8.290 nan 0.000 0.535 389 M N 0.000 119.591 119.600 -0.015 0.000 2.572 389 M HA 0.000 4.472 4.480 -0.013 0.000 0.227 389 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 389 M CB 0.000 32.592 32.600 -0.013 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411