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 2z23_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANVPTGVQLA EKQVLVRNNG SEPQSLDPHK IEGVPESNIS RDLLEGLVIN DATA SEQUENCE DPNGNIVPGA AESWDNKDFK VWTFNIRKDA KWSNGDPVTA QDFVYSWQRL DATA SEQUENCE ADPKTVSPYA SYLQYAHLTN IDDIITGKAA PDTLGVKALD DHTLEVTLSE DATA SEQUENCE PVPYLDKLLA HPLMSPVNKT VVEKFGEKWT QPQNFVGNGA YKLKDWIVNE DATA SEQUENCE RIVLERSPTY WDNAKTVINQ VTYLPISSEV TDVNRYRSGE IDMTYNNMPI DATA SEQUENCE ELFQKLKKEI PDQVHVDPYL cTYYYEINNQ KAPFTDARVR EALKLGMDRD DATA SEQUENCE IIVNKVKNQG DLPAYGFTPP YTSGAELTPP EWFSWTQEKR NEVAKKLLAE DATA SEQUENCE AGYTKDNPLK FSLLYNTSDL HKKLAIAAAS IWKKNLGVDV KLENQEWKTF DATA SEQUENCE LDTRHQGTYD VARAAWcADY NEPSSFLNMM LSNSSNNTTH YKSSVFDKLI DATA SEQUENCE EDTLKVKSEK ERADLYQQAE IQLDKDSAIV PVFYYVSARL VKPYVGGYTG DATA SEQUENCE KDPLDNMHVK DLYIIKQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.616 177.584 0.053 0.000 1.274 1 A CA 0.000 52.097 52.037 0.100 0.000 0.836 1 A CB 0.000 19.098 19.000 0.163 0.000 0.831 2 N N 0.680 119.419 118.700 0.065 0.000 2.682 2 N HA 0.418 5.162 4.740 0.007 0.000 0.252 2 N C -1.112 174.358 175.510 -0.067 0.000 1.081 2 N CA -0.397 52.659 53.050 0.009 0.000 0.844 2 N CB 1.747 40.258 38.487 0.041 0.000 1.167 2 N HN 0.399 nan 8.380 nan 0.000 0.523 3 V N 4.038 123.822 119.914 -0.216 0.000 2.439 3 V HA 0.137 4.261 4.120 0.007 0.000 0.271 3 V C -1.502 174.461 176.094 -0.219 0.000 1.040 3 V CA -1.122 60.905 62.300 -0.454 0.000 1.002 3 V CB 0.105 31.624 31.823 -0.506 0.000 1.000 3 V HN 0.492 nan 8.190 nan 0.000 0.477 4 P HA 0.056 nan 4.420 nan 0.000 0.262 4 P C 0.274 177.542 177.300 -0.054 0.000 1.199 4 P CA -0.074 63.000 63.100 -0.044 0.000 0.763 4 P CB 0.175 31.889 31.700 0.022 0.000 0.790 5 T N 0.809 115.340 114.554 -0.037 0.000 2.849 5 T HA 0.283 4.638 4.350 0.007 0.000 0.289 5 T C 1.304 175.994 174.700 -0.017 0.000 1.010 5 T CA 0.488 62.569 62.100 -0.031 0.000 1.161 5 T CB 0.012 68.869 68.868 -0.018 0.000 0.989 5 T HN 0.827 nan 8.240 nan 0.000 0.523 6 G N 2.159 110.947 108.800 -0.019 0.000 2.697 6 G HA2 -0.184 3.781 3.960 0.007 0.000 0.200 6 G HA3 -0.184 3.781 3.960 0.007 0.000 0.200 6 G C 0.194 175.094 174.900 -0.001 0.000 1.106 6 G CA -0.071 45.026 45.100 -0.005 0.000 0.748 6 G HN 1.953 nan 8.290 nan 0.000 0.503 7 V N 0.539 120.451 119.914 -0.003 0.000 2.655 7 V HA 0.632 4.756 4.120 0.007 0.000 0.300 7 V C 0.142 176.233 176.094 -0.004 0.000 1.044 7 V CA -0.222 62.088 62.300 0.016 0.000 1.095 7 V CB 1.136 32.987 31.823 0.047 0.000 0.952 7 V HN 0.510 nan 8.190 nan 0.000 0.485 8 Q N 3.991 123.803 119.800 0.019 0.000 2.243 8 Q HA 0.593 4.938 4.340 0.007 0.000 0.252 8 Q C -0.818 175.200 176.000 0.030 0.000 0.909 8 Q CA -0.563 55.247 55.803 0.011 0.000 0.922 8 Q CB 2.145 30.891 28.738 0.013 0.000 1.215 8 Q HN 0.772 nan 8.270 nan 0.000 0.427 9 L N 1.863 123.094 121.223 0.014 0.000 2.312 9 L HA 0.474 4.818 4.340 0.007 0.000 0.281 9 L C 0.372 177.261 176.870 0.031 0.000 1.070 9 L CA -0.740 54.125 54.840 0.041 0.000 0.805 9 L CB 1.023 43.092 42.059 0.016 0.000 1.174 9 L HN 0.671 nan 8.230 nan 0.000 0.434 10 A N 2.231 125.075 122.820 0.039 0.000 2.492 10 A HA 0.003 4.328 4.320 0.007 0.000 0.236 10 A C 1.179 178.759 177.584 -0.005 0.000 1.078 10 A CA 0.012 52.048 52.037 -0.001 0.000 0.773 10 A CB 0.224 19.202 19.000 -0.035 0.000 1.023 10 A HN 0.947 nan 8.150 nan 0.000 0.504 11 E N 0.304 120.492 120.200 -0.020 0.000 2.107 11 E HA -0.090 4.264 4.350 0.007 0.000 0.191 11 E C -0.065 176.525 176.600 -0.017 0.000 0.982 11 E CA 0.957 57.347 56.400 -0.016 0.000 0.809 11 E CB -0.020 29.667 29.700 -0.021 0.000 0.756 11 E HN 0.609 nan 8.360 nan 0.000 0.459 12 K N 1.668 122.048 120.400 -0.032 0.000 2.292 12 K HA 0.198 4.523 4.320 0.007 0.000 0.270 12 K C -0.832 175.753 176.600 -0.026 0.000 1.062 12 K CA -0.350 55.918 56.287 -0.032 0.000 0.916 12 K CB 1.484 33.953 32.500 -0.052 0.000 1.166 12 K HN -0.051 nan 8.250 nan 0.000 0.458 13 Q N 3.022 122.823 119.800 0.001 0.000 2.673 13 Q HA 0.212 4.556 4.340 0.007 0.000 0.224 13 Q C -0.596 175.413 176.000 0.016 0.000 1.226 13 Q CA -0.197 55.620 55.803 0.023 0.000 1.019 13 Q CB 0.686 29.456 28.738 0.053 0.000 1.312 13 Q HN 0.311 nan 8.270 nan 0.000 0.566 14 V N 2.578 122.485 119.914 -0.011 0.000 2.735 14 V HA 0.564 4.688 4.120 0.007 0.000 0.310 14 V C -0.763 175.308 176.094 -0.039 0.000 1.061 14 V CA -0.945 61.339 62.300 -0.028 0.000 0.913 14 V CB 2.492 34.291 31.823 -0.039 0.000 1.005 14 V HN 0.485 nan 8.190 nan 0.000 0.428 15 L N 4.283 125.459 121.223 -0.079 0.000 2.431 15 L HA 0.805 5.149 4.340 0.007 0.000 0.266 15 L C -1.140 175.630 176.870 -0.167 0.000 0.978 15 L CA -0.235 54.542 54.840 -0.105 0.000 0.822 15 L CB 2.317 44.292 42.059 -0.140 0.000 1.310 15 L HN 0.428 nan 8.230 nan 0.000 0.409 16 V N 5.107 124.938 119.914 -0.138 0.000 2.407 16 V HA 0.615 4.740 4.120 0.007 0.000 0.291 16 V C -0.286 175.704 176.094 -0.172 0.000 1.018 16 V CA -0.534 61.670 62.300 -0.159 0.000 0.842 16 V CB 1.514 33.284 31.823 -0.089 0.000 0.996 16 V HN 0.707 nan 8.190 nan 0.000 0.426 17 R N 2.969 123.308 120.500 -0.269 0.000 2.599 17 R HA 0.462 4.806 4.340 0.007 0.000 0.295 17 R C -0.536 175.698 176.300 -0.110 0.000 0.963 17 R CA -0.827 55.145 56.100 -0.214 0.000 0.883 17 R CB 1.918 32.011 30.300 -0.346 0.000 1.171 17 R HN 0.690 nan 8.270 nan 0.000 0.450 18 N N 0.701 119.385 118.700 -0.025 0.000 2.513 18 N HA 0.033 4.778 4.740 0.007 0.000 0.274 18 N C -0.238 175.297 175.510 0.042 0.000 1.189 18 N CA -0.042 53.008 53.050 -0.001 0.000 0.975 18 N CB 0.807 39.303 38.487 0.015 0.000 1.157 18 N HN 0.488 nan 8.380 nan 0.000 0.465 19 N N 0.714 119.368 118.700 -0.077 0.000 2.377 19 N HA 0.248 4.992 4.740 0.007 0.000 0.259 19 N C 0.617 175.649 175.510 -0.796 0.000 1.332 19 N CA 0.520 53.451 53.050 -0.199 0.000 0.877 19 N CB 0.034 38.493 38.487 -0.047 0.000 1.299 19 N HN 0.763 nan 8.380 nan 0.000 0.501 20 G N 0.065 108.222 108.800 -1.071 0.000 2.855 20 G HA2 -0.344 3.620 3.960 0.007 0.000 0.231 20 G HA3 -0.344 3.620 3.960 0.007 0.000 0.231 20 G C 0.228 174.758 174.900 -0.615 0.000 1.242 20 G CA 1.026 45.390 45.100 -1.228 0.000 0.789 20 G HN 1.173 nan 8.290 nan 0.000 0.517 21 S N -1.187 114.195 115.700 -0.530 0.000 2.683 21 S HA 0.557 5.031 4.470 0.007 0.000 0.269 21 S C -1.022 173.484 174.600 -0.156 0.000 1.165 21 S CA 0.305 58.332 58.200 -0.289 0.000 0.840 21 S CB 1.950 64.977 63.200 -0.289 0.000 1.169 21 S HN 1.075 nan 8.310 nan 0.000 0.490 22 E N 2.889 123.081 120.200 -0.013 0.000 2.299 22 E HA 0.435 4.790 4.350 0.007 0.000 0.272 22 E C -2.243 174.427 176.600 0.117 0.000 1.043 22 E CA -1.627 54.818 56.400 0.074 0.000 0.895 22 E CB 0.452 30.233 29.700 0.135 0.000 1.011 22 E HN 0.407 nan 8.360 nan 0.000 0.432 23 P HA -0.032 nan 4.420 nan 0.000 0.270 23 P C -0.154 177.270 177.300 0.206 0.000 1.223 23 P CA 0.192 63.361 63.100 0.115 0.000 0.785 23 P CB 0.766 32.415 31.700 -0.085 0.000 0.923 24 Q N -0.117 119.814 119.800 0.219 0.000 2.123 24 Q HA 0.026 4.370 4.340 0.007 0.000 0.199 24 Q C 0.829 176.932 176.000 0.171 0.000 0.966 24 Q CA 1.088 56.998 55.803 0.177 0.000 0.845 24 Q CB 0.108 28.929 28.738 0.138 0.000 0.907 24 Q HN 0.641 nan 8.270 nan 0.000 0.439 25 S N -2.291 113.494 115.700 0.143 0.000 2.688 25 S HA 0.197 4.672 4.470 0.007 0.000 0.269 25 S C -0.969 173.628 174.600 -0.005 0.000 1.060 25 S CA -0.803 57.486 58.200 0.148 0.000 0.844 25 S CB -0.058 63.219 63.200 0.128 0.000 1.095 25 S HN 0.141 nan 8.310 nan 0.000 0.466 26 L N 1.217 122.414 121.223 -0.044 0.000 2.693 26 L HA 0.373 4.717 4.340 0.007 0.000 0.235 26 L C 0.358 177.216 176.870 -0.020 0.000 1.127 26 L CA -0.069 54.682 54.840 -0.149 0.000 0.914 26 L CB 0.145 42.026 42.059 -0.297 0.000 1.193 26 L HN 0.651 nan 8.230 nan 0.000 0.502 27 D N 1.621 122.021 120.400 -0.000 0.000 2.348 27 D HA 0.083 4.727 4.640 0.007 0.000 0.253 27 D C -1.701 174.665 176.300 0.109 0.000 1.161 27 D CA -1.776 52.319 54.000 0.159 0.000 0.876 27 D CB 2.003 42.957 40.800 0.256 0.000 1.160 27 D HN -0.101 nan 8.370 nan 0.000 0.459 28 P HA -0.094 nan 4.420 nan 0.000 0.219 28 P C 0.059 177.373 177.300 0.023 0.000 1.146 28 P CA 1.266 64.336 63.100 -0.049 0.000 0.808 28 P CB 0.011 31.633 31.700 -0.129 0.000 0.779 29 H N -1.173 117.999 119.070 0.171 0.000 2.537 29 H HA 0.260 4.820 4.556 0.008 0.000 0.295 29 H C 0.804 176.213 175.328 0.135 0.000 1.054 29 H CA -0.185 55.945 56.048 0.136 0.000 1.156 29 H CB 0.184 30.016 29.762 0.116 0.000 1.468 29 H HN -0.030 nan 8.280 nan 0.000 0.551 30 K N 0.995 121.524 120.400 0.216 0.000 2.562 30 K HA 0.198 4.522 4.320 0.007 0.000 0.201 30 K C 0.033 176.722 176.600 0.148 0.000 1.131 30 K CA 0.060 56.448 56.287 0.167 0.000 1.059 30 K CB 1.215 33.807 32.500 0.153 0.000 0.913 30 K HN 0.366 nan 8.250 nan 0.000 0.563 31 I N -1.631 119.041 120.570 0.170 0.000 2.910 31 I HA 0.385 4.559 4.170 0.007 0.000 0.310 31 I C 0.499 176.793 176.117 0.295 0.000 1.043 31 I CA -0.577 60.826 61.300 0.172 0.000 1.053 31 I CB 1.962 40.020 38.000 0.096 0.000 1.242 31 I HN 0.049 nan 8.210 nan 0.000 0.452 32 E N 1.816 122.199 120.200 0.305 0.000 2.581 32 E HA 0.271 4.626 4.350 0.007 0.000 0.195 32 E C 0.195 177.019 176.600 0.373 0.000 0.936 32 E CA -0.281 56.399 56.400 0.467 0.000 1.387 32 E CB 0.438 30.367 29.700 0.381 0.000 1.424 32 E HN 0.838 nan 8.360 nan 0.000 0.742 33 G N 0.675 109.678 108.800 0.338 0.000 2.509 33 G HA2 0.416 4.380 3.960 0.007 0.000 0.328 33 G HA3 0.416 4.380 3.960 0.007 0.000 0.328 33 G C 0.812 175.844 174.900 0.220 0.000 1.194 33 G CA -0.420 44.939 45.100 0.432 0.000 0.967 33 G HN -0.036 nan 8.290 nan 0.000 0.488 34 V N 1.405 121.422 119.914 0.172 0.000 2.332 34 V HA -0.105 4.020 4.120 0.007 0.000 0.248 34 V C -0.083 176.015 176.094 0.006 0.000 1.055 34 V CA 2.180 64.514 62.300 0.058 0.000 1.038 34 V CB -0.906 30.970 31.823 0.087 0.000 0.651 34 V HN 0.532 nan 8.190 nan 0.000 0.450 35 P HA -0.143 nan 4.420 nan 0.000 0.216 35 P C 1.471 178.665 177.300 -0.176 0.000 1.153 35 P CA 1.354 64.351 63.100 -0.171 0.000 0.858 35 P CB 0.056 31.545 31.700 -0.351 0.000 0.789 36 E N -0.716 119.446 120.200 -0.063 0.000 2.017 36 E HA -0.121 4.234 4.350 0.007 0.000 0.193 36 E C 2.214 178.708 176.600 -0.176 0.000 0.997 36 E CA 1.542 57.887 56.400 -0.092 0.000 0.804 36 E CB -1.153 28.566 29.700 0.033 0.000 0.757 36 E HN 0.086 nan 8.360 nan 0.000 0.448 37 S N 0.957 116.567 115.700 -0.150 0.000 2.387 37 S HA -0.171 4.303 4.470 0.007 0.000 0.230 37 S C 1.637 176.089 174.600 -0.247 0.000 1.035 37 S CA 1.142 59.209 58.200 -0.222 0.000 1.014 37 S CB -0.411 62.653 63.200 -0.225 0.000 0.836 37 S HN 0.242 nan 8.310 nan 0.000 0.466 38 N N 1.537 120.093 118.700 -0.239 0.000 2.069 38 N HA -0.019 4.725 4.740 0.007 0.000 0.191 38 N C 1.632 176.871 175.510 -0.451 0.000 1.031 38 N CA 1.223 54.106 53.050 -0.279 0.000 0.852 38 N CB -0.445 37.914 38.487 -0.212 0.000 1.018 38 N HN 0.420 nan 8.380 nan 0.000 0.423 39 I N -0.205 119.989 120.570 -0.627 0.000 2.406 39 I HA -0.121 4.054 4.170 0.007 0.000 0.249 39 I C 2.334 178.215 176.117 -0.394 0.000 1.122 39 I CA 0.498 61.365 61.300 -0.720 0.000 1.431 39 I CB -0.234 37.289 38.000 -0.795 0.000 1.087 39 I HN 0.044 nan 8.210 nan 0.000 0.424 40 S N 0.912 116.432 115.700 -0.300 0.000 2.383 40 S HA -0.170 4.305 4.470 0.007 0.000 0.229 40 S C 2.178 176.703 174.600 -0.125 0.000 1.030 40 S CA 1.430 59.525 58.200 -0.175 0.000 1.002 40 S CB -0.165 62.937 63.200 -0.163 0.000 0.829 40 S HN 0.331 nan 8.310 nan 0.000 0.467 41 R N 0.405 120.794 120.500 -0.184 0.000 2.148 41 R HA -0.029 4.316 4.340 0.007 0.000 0.227 41 R C 1.487 177.753 176.300 -0.057 0.000 1.103 41 R CA 1.462 57.464 56.100 -0.163 0.000 0.983 41 R CB -0.244 29.819 30.300 -0.395 0.000 0.874 41 R HN 0.449 nan 8.270 nan 0.000 0.451 42 D N 0.216 120.578 120.400 -0.062 0.000 2.249 42 D HA -0.026 4.619 4.640 0.007 0.000 0.205 42 D C 1.832 178.182 176.300 0.083 0.000 0.962 42 D CA 0.783 54.821 54.000 0.063 0.000 0.860 42 D CB 0.210 41.024 40.800 0.023 0.000 0.955 42 D HN 0.193 nan 8.370 nan 0.000 0.505 43 L N -0.415 120.823 121.223 0.024 0.000 2.307 43 L HA 0.167 4.511 4.340 0.007 0.000 0.211 43 L C 0.524 177.525 176.870 0.219 0.000 1.099 43 L CA 0.488 55.385 54.840 0.094 0.000 0.816 43 L CB 0.283 42.318 42.059 -0.040 0.000 0.952 43 L HN -0.140 nan 8.230 nan 0.000 0.455 44 L N -0.710 120.610 121.223 0.162 0.000 2.388 44 L HA 0.447 4.791 4.340 0.007 0.000 0.264 44 L C -0.681 176.271 176.870 0.138 0.000 0.998 44 L CA -0.395 54.551 54.840 0.177 0.000 0.817 44 L CB 2.662 44.850 42.059 0.216 0.000 1.338 44 L HN -0.135 nan 8.230 nan 0.000 0.414 45 E N 0.681 120.972 120.200 0.151 0.000 2.224 45 E HA 0.571 4.925 4.350 0.007 0.000 0.265 45 E C -0.546 176.210 176.600 0.262 0.000 0.878 45 E CA -0.539 55.995 56.400 0.223 0.000 0.759 45 E CB 2.035 31.925 29.700 0.317 0.000 1.164 45 E HN 0.715 nan 8.360 nan 0.000 0.414 46 G N 2.689 111.660 108.800 0.286 0.000 2.508 46 G HA2 0.137 4.102 3.960 0.007 0.000 0.278 46 G HA3 0.137 4.102 3.960 0.007 0.000 0.278 46 G C 0.918 175.993 174.900 0.292 0.000 1.389 46 G CA -0.508 44.827 45.100 0.390 0.000 1.050 46 G HN 0.613 nan 8.290 nan 0.000 0.522 47 L N -0.967 120.292 121.223 0.061 0.000 2.079 47 L HA 0.022 4.366 4.340 0.007 0.000 0.210 47 L C 1.117 177.919 176.870 -0.113 0.000 1.081 47 L CA 1.078 55.748 54.840 -0.283 0.000 0.752 47 L CB -0.809 40.787 42.059 -0.771 0.000 0.896 47 L HN 0.356 nan 8.230 nan 0.000 0.433 48 V N -2.568 117.300 119.914 -0.076 0.000 3.130 48 V HA 0.668 4.793 4.120 0.007 0.000 0.310 48 V C -0.589 175.566 176.094 0.101 0.000 1.158 48 V CA -1.142 61.147 62.300 -0.019 0.000 1.029 48 V CB 2.325 34.006 31.823 -0.237 0.000 1.057 48 V HN 0.151 nan 8.190 nan 0.000 0.436 49 I N -0.530 120.133 120.570 0.155 0.000 3.174 49 I HA 0.694 4.869 4.170 0.007 0.000 0.313 49 I C -1.031 175.184 176.117 0.163 0.000 1.155 49 I CA -0.933 60.471 61.300 0.173 0.000 0.977 49 I CB 2.604 40.683 38.000 0.132 0.000 1.248 49 I HN 0.616 nan 8.210 nan 0.000 0.453 50 N N 2.472 121.293 118.700 0.202 0.000 2.438 50 N HA 0.255 4.999 4.740 0.007 0.000 0.282 50 N C -1.185 174.403 175.510 0.131 0.000 1.037 50 N CA -0.310 52.852 53.050 0.187 0.000 0.942 50 N CB 1.450 40.066 38.487 0.216 0.000 1.136 50 N HN 0.737 nan 8.380 nan 0.000 0.481 51 D N 1.186 121.653 120.400 0.112 0.000 2.451 51 D HA 0.261 4.905 4.640 0.007 0.000 0.259 51 D C -1.847 174.511 176.300 0.096 0.000 1.201 51 D CA -1.431 52.617 54.000 0.080 0.000 1.028 51 D CB -0.134 40.717 40.800 0.085 0.000 1.095 51 D HN 0.126 nan 8.370 nan 0.000 0.539 52 P HA -0.119 nan 4.420 nan 0.000 0.219 52 P C 0.044 177.355 177.300 0.017 0.000 1.144 52 P CA 1.415 64.546 63.100 0.051 0.000 0.806 52 P CB -0.056 31.666 31.700 0.037 0.000 0.771 53 N N -2.601 116.121 118.700 0.038 0.000 2.203 53 N HA 0.221 4.965 4.740 0.007 0.000 0.207 53 N C 0.905 176.451 175.510 0.061 0.000 1.130 53 N CA 0.450 53.518 53.050 0.030 0.000 0.861 53 N CB 0.402 38.908 38.487 0.031 0.000 1.005 53 N HN 0.039 nan 8.380 nan 0.000 0.507 54 G N 0.898 109.750 108.800 0.086 0.000 2.175 54 G HA2 -0.269 3.696 3.960 0.007 0.000 0.244 54 G HA3 -0.269 3.696 3.960 0.007 0.000 0.244 54 G C -0.344 174.631 174.900 0.125 0.000 0.982 54 G CA -0.376 44.790 45.100 0.110 0.000 0.641 54 G HN 0.363 nan 8.290 nan 0.000 0.527 55 N N 0.543 119.316 118.700 0.121 0.000 2.530 55 N HA 0.510 5.254 4.740 0.007 0.000 0.273 55 N C 0.326 175.936 175.510 0.167 0.000 1.173 55 N CA -0.591 52.542 53.050 0.140 0.000 0.967 55 N CB 0.931 39.494 38.487 0.126 0.000 1.109 55 N HN 0.059 nan 8.380 nan 0.000 0.453 56 I N 2.731 123.420 120.570 0.199 0.000 2.416 56 I HA 0.134 4.309 4.170 0.007 0.000 0.288 56 I C 0.421 176.715 176.117 0.295 0.000 1.051 56 I CA -0.131 61.308 61.300 0.232 0.000 1.375 56 I CB -0.158 37.990 38.000 0.247 0.000 1.407 56 I HN 0.315 nan 8.210 nan 0.000 0.516 57 V N 5.464 125.552 119.914 0.291 0.000 3.141 57 V HA 0.683 4.807 4.120 0.007 0.000 0.312 57 V C -2.797 173.552 176.094 0.425 0.000 1.157 57 V CA -2.683 59.825 62.300 0.348 0.000 1.041 57 V CB 1.678 33.646 31.823 0.241 0.000 1.071 57 V HN 0.423 nan 8.190 nan 0.000 0.441 58 P HA 0.325 nan 4.420 nan 0.000 0.264 58 P C 0.221 177.747 177.300 0.377 0.000 1.193 58 P CA 1.042 64.425 63.100 0.472 0.000 0.763 58 P CB 0.727 32.611 31.700 0.306 0.000 0.810 59 G N 1.996 110.979 108.800 0.305 0.000 3.306 59 G HA2 0.366 4.330 3.960 0.007 0.000 0.202 59 G HA3 0.366 4.330 3.960 0.007 0.000 0.202 59 G C 1.079 176.120 174.900 0.236 0.000 1.673 59 G CA 0.302 45.615 45.100 0.354 0.000 0.776 59 G HN 0.388 nan 8.290 nan 0.000 0.740 60 A N -0.196 122.744 122.820 0.199 0.000 2.015 60 A HA 0.535 4.859 4.320 0.007 0.000 0.219 60 A C 1.541 179.105 177.584 -0.034 0.000 1.163 60 A CA 1.754 53.851 52.037 0.100 0.000 0.646 60 A CB -0.692 18.468 19.000 0.267 0.000 0.806 60 A HN 1.269 nan 8.150 nan 0.000 0.448 61 A N 0.246 123.076 122.820 0.017 0.000 2.290 61 A HA 0.504 4.828 4.320 0.007 0.000 0.310 61 A C 0.818 178.513 177.584 0.184 0.000 1.202 61 A CA 0.114 52.222 52.037 0.119 0.000 0.837 61 A CB 0.435 19.610 19.000 0.292 0.000 1.139 61 A HN 0.532 nan 8.150 nan 0.000 0.509 62 E N 1.679 121.922 120.200 0.072 0.000 2.230 62 E HA 0.063 4.417 4.350 0.007 0.000 0.192 62 E C 0.438 177.064 176.600 0.042 0.000 0.987 62 E CA 1.008 57.402 56.400 -0.010 0.000 0.841 62 E CB -0.025 29.595 29.700 -0.133 0.000 0.783 62 E HN 0.643 nan 8.360 nan 0.000 0.481 63 S N -0.860 114.915 115.700 0.124 0.000 2.588 63 S HA 0.614 5.088 4.470 0.007 0.000 0.269 63 S C -1.683 173.011 174.600 0.157 0.000 1.157 63 S CA -0.869 57.264 58.200 -0.112 0.000 0.824 63 S CB 0.799 63.881 63.200 -0.196 0.000 1.126 63 S HN 0.469 nan 8.310 nan 0.000 0.464 64 W N -0.166 121.085 121.300 -0.082 0.000 3.059 64 W HA 0.846 5.510 4.660 0.006 0.000 0.329 64 W C -2.143 174.229 176.519 -0.245 0.000 1.246 64 W CA -0.503 56.678 57.345 -0.273 0.000 1.190 64 W CB 0.260 29.351 29.460 -0.616 0.000 1.423 64 W HN 0.662 nan 8.180 nan 0.000 0.571 65 D N 0.445 120.779 120.400 -0.109 0.000 2.615 65 D HA 0.381 5.025 4.640 0.007 0.000 0.267 65 D C -1.417 174.661 176.300 -0.370 0.000 1.236 65 D CA -0.736 53.133 54.000 -0.218 0.000 0.839 65 D CB 1.924 42.592 40.800 -0.219 0.000 1.380 65 D HN 0.596 nan 8.370 nan 0.000 0.433 66 N N -1.442 116.906 118.700 -0.586 0.000 2.416 66 N HA 0.560 5.305 4.740 0.007 0.000 0.276 66 N C -1.490 173.637 175.510 -0.640 0.000 1.261 66 N CA -0.894 51.625 53.050 -0.886 0.000 0.790 66 N CB 2.292 39.664 38.487 -1.859 0.000 1.554 66 N HN 0.006 nan 8.380 nan 0.000 0.481 67 K N 0.677 120.769 120.400 -0.514 0.000 2.425 67 K HA 0.350 4.674 4.320 0.007 0.000 0.259 67 K C -0.907 175.479 176.600 -0.357 0.000 0.978 67 K CA -0.271 55.797 56.287 -0.366 0.000 0.883 67 K CB 0.074 32.448 32.500 -0.211 0.000 1.110 67 K HN 0.657 nan 8.250 nan 0.000 0.436 68 D N 4.158 124.294 120.400 -0.440 0.000 3.039 68 D HA -0.271 4.374 4.640 0.007 0.000 0.222 68 D C -0.385 175.813 176.300 -0.171 0.000 1.179 68 D CA 1.430 55.239 54.000 -0.318 0.000 0.880 68 D CB -1.205 39.525 40.800 -0.117 0.000 1.115 68 D HN 0.834 nan 8.370 nan 0.000 0.416 69 F N -2.251 117.584 119.950 -0.191 0.000 2.914 69 F HA -0.337 4.194 4.527 0.007 0.000 0.304 69 F C 1.674 177.608 175.800 0.224 0.000 0.712 69 F CA 1.512 59.491 58.000 -0.035 0.000 1.211 69 F CB -1.490 37.578 39.000 0.113 0.000 1.515 69 F HN 0.148 nan 8.300 nan 0.000 0.350 70 K N -0.523 119.988 120.400 0.184 0.000 2.329 70 K HA 0.326 4.651 4.320 0.007 0.000 0.198 70 K C 0.351 177.111 176.600 0.266 0.000 1.085 70 K CA 0.748 57.171 56.287 0.226 0.000 0.961 70 K CB 0.947 33.514 32.500 0.113 0.000 0.971 70 K HN 0.044 nan 8.250 nan 0.000 0.502 71 V N 1.974 121.960 119.914 0.121 0.000 2.378 71 V HA 0.245 4.370 4.120 0.007 0.000 0.288 71 V C -1.525 174.609 176.094 0.066 0.000 1.016 71 V CA -0.746 61.643 62.300 0.148 0.000 0.840 71 V CB 0.801 32.651 31.823 0.047 0.000 0.994 71 V HN 0.166 nan 8.190 nan 0.000 0.431 72 W N 2.463 123.818 121.300 0.091 0.000 2.529 72 W HA 0.685 5.349 4.660 0.007 0.000 0.321 72 W C 0.176 176.724 176.519 0.047 0.000 1.047 72 W CA -0.478 56.898 57.345 0.053 0.000 1.216 72 W CB 1.966 31.531 29.460 0.175 0.000 1.357 72 W HN 0.362 nan 8.180 nan 0.000 0.489 73 T N 3.962 118.552 114.554 0.061 0.000 2.809 73 T HA 0.538 4.893 4.350 0.007 0.000 0.284 73 T C -1.141 173.511 174.700 -0.079 0.000 0.992 73 T CA -0.524 61.616 62.100 0.066 0.000 0.957 73 T CB 0.424 69.305 68.868 0.022 0.000 0.942 73 T HN -0.007 nan 8.240 nan 0.000 0.439 74 F N 2.576 122.631 119.950 0.174 0.000 2.458 74 F HA 0.418 4.949 4.527 0.007 0.000 0.336 74 F C 0.708 176.563 175.800 0.092 0.000 1.114 74 F CA -1.134 56.971 58.000 0.174 0.000 0.987 74 F CB 1.336 40.365 39.000 0.048 0.000 1.130 74 F HN 0.365 nan 8.300 nan 0.000 0.458 75 N N 4.727 123.573 118.700 0.243 0.000 2.500 75 N HA 0.216 4.960 4.740 0.007 0.000 0.236 75 N C -0.361 175.222 175.510 0.121 0.000 1.022 75 N CA -0.310 52.822 53.050 0.137 0.000 0.935 75 N CB 1.008 39.532 38.487 0.061 0.000 1.147 75 N HN 0.347 nan 8.380 nan 0.000 0.512 76 I N 1.304 121.946 120.570 0.120 0.000 2.683 76 I HA -0.022 4.152 4.170 0.007 0.000 0.286 76 I C 1.506 177.637 176.117 0.024 0.000 1.175 76 I CA 0.061 61.418 61.300 0.096 0.000 1.429 76 I CB -0.028 38.086 38.000 0.189 0.000 1.371 76 I HN 0.281 nan 8.210 nan 0.000 0.569 77 R N 4.921 125.375 120.500 -0.076 0.000 2.502 77 R HA -0.076 4.268 4.340 0.007 0.000 0.292 77 R C 0.837 177.029 176.300 -0.180 0.000 0.998 77 R CA 0.158 56.131 56.100 -0.213 0.000 1.056 77 R CB 0.492 30.532 30.300 -0.432 0.000 0.939 77 R HN 0.467 nan 8.270 nan 0.000 0.411 78 K N 1.744 121.993 120.400 -0.251 0.000 2.362 78 K HA -0.099 4.225 4.320 0.007 0.000 0.200 78 K C 0.593 177.113 176.600 -0.132 0.000 1.046 78 K CA 1.463 57.566 56.287 -0.306 0.000 0.952 78 K CB 0.220 32.541 32.500 -0.298 0.000 0.753 78 K HN 0.656 nan 8.250 nan 0.000 0.466 79 D N -0.452 119.883 120.400 -0.109 0.000 2.440 79 D HA 0.082 4.727 4.640 0.007 0.000 0.216 79 D C -0.143 176.170 176.300 0.021 0.000 1.150 79 D CA -0.289 53.697 54.000 -0.023 0.000 0.832 79 D CB 0.096 40.896 40.800 -0.001 0.000 0.992 79 D HN -0.019 nan 8.370 nan 0.000 0.502 80 A N 0.952 123.754 122.820 -0.029 0.000 2.492 80 A HA 0.379 4.703 4.320 0.007 0.000 0.254 80 A C 0.127 177.736 177.584 0.042 0.000 1.091 80 A CA 0.072 52.119 52.037 0.018 0.000 0.768 80 A CB 0.350 19.329 19.000 -0.035 0.000 1.028 80 A HN 0.138 nan 8.150 nan 0.000 0.498 81 K N 1.408 121.843 120.400 0.058 0.000 2.477 81 K HA 0.381 4.706 4.320 0.007 0.000 0.255 81 K C -1.381 175.224 176.600 0.008 0.000 0.952 81 K CA -0.505 55.816 56.287 0.056 0.000 0.826 81 K CB 1.662 34.242 32.500 0.133 0.000 1.331 81 K HN 0.748 nan 8.250 nan 0.000 0.437 82 W N 0.651 122.028 121.300 0.129 0.000 2.183 82 W HA 0.021 4.685 4.660 0.006 0.000 0.348 82 W C 1.696 178.290 176.519 0.125 0.000 1.257 82 W CA -0.043 57.372 57.345 0.117 0.000 1.324 82 W CB 0.635 30.133 29.460 0.063 0.000 1.144 82 W HN 0.735 nan 8.180 nan 0.000 0.622 83 S N 0.104 116.049 115.700 0.408 0.000 2.500 83 S HA -0.247 4.227 4.470 0.007 0.000 0.239 83 S C 0.991 175.729 174.600 0.229 0.000 0.989 83 S CA 1.348 59.716 58.200 0.281 0.000 0.951 83 S CB -0.570 62.802 63.200 0.287 0.000 0.759 83 S HN 0.624 nan 8.310 nan 0.000 0.523 84 N N 0.645 119.492 118.700 0.245 0.000 2.235 84 N HA 0.303 5.048 4.740 0.007 0.000 0.209 84 N C 1.137 176.741 175.510 0.157 0.000 1.122 84 N CA 0.428 53.578 53.050 0.167 0.000 0.845 84 N CB -0.127 38.432 38.487 0.120 0.000 1.004 84 N HN 0.506 nan 8.380 nan 0.000 0.499 85 G N -0.464 108.452 108.800 0.194 0.000 2.217 85 G HA2 -0.255 3.709 3.960 0.007 0.000 0.246 85 G HA3 -0.255 3.709 3.960 0.007 0.000 0.246 85 G C -0.587 174.426 174.900 0.188 0.000 0.990 85 G CA 0.135 45.334 45.100 0.165 0.000 0.627 85 G HN 0.453 nan 8.290 nan 0.000 0.522 86 D N 2.291 122.837 120.400 0.243 0.000 2.372 86 D HA 0.487 5.132 4.640 0.007 0.000 0.243 86 D C -2.123 174.422 176.300 0.408 0.000 1.121 86 D CA -1.071 53.089 54.000 0.267 0.000 0.898 86 D CB 0.910 41.830 40.800 0.201 0.000 1.202 86 D HN 0.158 nan 8.370 nan 0.000 0.428 87 P HA 0.080 nan 4.420 nan 0.000 0.275 87 P C -0.521 176.982 177.300 0.337 0.000 1.227 87 P CA -0.423 62.833 63.100 0.260 0.000 0.781 87 P CB 0.655 32.465 31.700 0.184 0.000 0.906 88 V N 3.725 123.721 119.914 0.137 0.000 2.408 88 V HA 0.303 4.427 4.120 0.007 0.000 0.267 88 V C 0.919 177.106 176.094 0.154 0.000 1.047 88 V CA 0.216 62.541 62.300 0.042 0.000 0.937 88 V CB 0.319 32.020 31.823 -0.204 0.000 0.999 88 V HN 0.735 nan 8.190 nan 0.000 0.472 89 T N 2.110 116.771 114.554 0.178 0.000 2.927 89 T HA 0.690 5.044 4.350 0.007 0.000 0.286 89 T C 1.140 175.933 174.700 0.155 0.000 1.040 89 T CA -0.056 62.082 62.100 0.064 0.000 1.010 89 T CB 2.003 70.853 68.868 -0.031 0.000 1.177 89 T HN 0.525 nan 8.240 nan 0.000 0.546 90 A N 0.015 122.869 122.820 0.057 0.000 1.969 90 A HA -0.029 4.296 4.320 0.007 0.000 0.218 90 A C 2.255 179.888 177.584 0.082 0.000 1.169 90 A CA 1.481 53.566 52.037 0.080 0.000 0.635 90 A CB -1.121 17.887 19.000 0.015 0.000 0.810 90 A HN 0.817 nan 8.150 nan 0.000 0.445 91 Q N 0.285 120.112 119.800 0.045 0.000 2.170 91 Q HA -0.133 4.211 4.340 0.007 0.000 0.203 91 Q C 1.511 177.554 176.000 0.071 0.000 0.976 91 Q CA 1.555 57.383 55.803 0.041 0.000 0.858 91 Q CB -0.220 28.524 28.738 0.010 0.000 0.907 91 Q HN 0.612 nan 8.270 nan 0.000 0.433 92 D N -0.415 120.039 120.400 0.090 0.000 2.116 92 D HA -0.168 4.476 4.640 0.007 0.000 0.193 92 D C 1.518 177.789 176.300 -0.049 0.000 0.998 92 D CA 1.133 55.181 54.000 0.080 0.000 0.836 92 D CB -0.176 40.726 40.800 0.171 0.000 0.951 92 D HN 0.239 nan 8.370 nan 0.000 0.449 93 F N 0.709 120.592 119.950 -0.112 0.000 2.146 93 F HA -0.140 4.391 4.527 0.006 0.000 0.298 93 F C 2.572 178.074 175.800 -0.497 0.000 1.096 93 F CA 0.414 58.154 58.000 -0.434 0.000 1.275 93 F CB -0.634 37.951 39.000 -0.691 0.000 1.008 93 F HN -0.184 nan 8.300 nan 0.000 0.480 94 V N -0.617 119.232 119.914 -0.107 0.000 2.287 94 V HA -0.353 3.771 4.120 0.007 0.000 0.248 94 V C 2.077 178.188 176.094 0.027 0.000 1.053 94 V CA 2.147 64.419 62.300 -0.047 0.000 1.027 94 V CB -0.923 30.911 31.823 0.018 0.000 0.646 94 V HN 0.425 nan 8.190 nan 0.000 0.447 95 Y N 1.354 121.625 120.300 -0.049 0.000 2.181 95 Y HA -0.232 4.322 4.550 0.008 0.000 0.288 95 Y C 2.694 178.599 175.900 0.009 0.000 1.146 95 Y CA 1.873 59.956 58.100 -0.029 0.000 1.164 95 Y CB -0.370 38.054 38.460 -0.060 0.000 0.982 95 Y HN 0.233 nan 8.280 nan 0.000 0.515 96 S N -0.517 115.135 115.700 -0.080 0.000 2.355 96 S HA -0.183 4.291 4.470 0.007 0.000 0.222 96 S C 1.550 176.206 174.600 0.093 0.000 1.031 96 S CA 1.351 59.549 58.200 -0.004 0.000 0.993 96 S CB -0.656 62.635 63.200 0.151 0.000 0.859 96 S HN 0.623 nan 8.310 nan 0.000 0.453 97 W N 2.296 123.550 121.300 -0.076 0.000 2.402 97 W HA 0.073 4.738 4.660 0.008 0.000 0.286 97 W C 2.370 178.796 176.519 -0.155 0.000 1.221 97 W CA -0.046 57.246 57.345 -0.089 0.000 1.257 97 W CB -1.164 28.302 29.460 0.010 0.000 1.120 97 W HN 0.434 nan 8.180 nan 0.000 0.551 98 Q N -0.252 119.579 119.800 0.050 0.000 2.119 98 Q HA -0.154 4.191 4.340 0.007 0.000 0.201 98 Q C 2.314 178.224 176.000 -0.150 0.000 0.972 98 Q CA 1.337 57.116 55.803 -0.040 0.000 0.847 98 Q CB -0.317 28.392 28.738 -0.047 0.000 0.903 98 Q HN 0.257 nan 8.270 nan 0.000 0.433 99 R N 0.502 120.827 120.500 -0.292 0.000 2.066 99 R HA -0.154 4.191 4.340 0.007 0.000 0.232 99 R C 2.246 178.364 176.300 -0.304 0.000 1.131 99 R CA 0.876 56.785 56.100 -0.319 0.000 0.955 99 R CB -0.229 29.820 30.300 -0.420 0.000 0.851 99 R HN 0.197 nan 8.270 nan 0.000 0.432 100 L N 0.843 121.778 121.223 -0.481 0.000 2.013 100 L HA -0.140 4.205 4.340 0.007 0.000 0.212 100 L C 2.240 178.992 176.870 -0.197 0.000 1.073 100 L CA 2.354 56.911 54.840 -0.473 0.000 0.753 100 L CB -0.806 40.988 42.059 -0.441 0.000 0.890 100 L HN 0.261 nan 8.230 nan 0.000 0.432 101 A N -1.297 121.439 122.820 -0.139 0.000 1.930 101 A HA -0.176 4.148 4.320 0.007 0.000 0.217 101 A C 1.114 178.657 177.584 -0.069 0.000 1.175 101 A CA 0.954 52.939 52.037 -0.086 0.000 0.627 101 A CB -0.899 18.069 19.000 -0.054 0.000 0.815 101 A HN 0.545 nan 8.150 nan 0.000 0.443 102 D N 0.199 120.555 120.400 -0.074 0.000 2.502 102 D HA 0.040 4.685 4.640 0.007 0.000 0.249 102 D C -1.498 174.779 176.300 -0.038 0.000 1.188 102 D CA -1.430 52.539 54.000 -0.051 0.000 0.890 102 D CB 0.933 41.699 40.800 -0.056 0.000 1.140 102 D HN 0.104 nan 8.370 nan 0.000 0.505 103 P HA -0.135 nan 4.420 nan 0.000 0.221 103 P C 0.913 178.207 177.300 -0.011 0.000 1.145 103 P CA 1.094 64.182 63.100 -0.020 0.000 0.795 103 P CB 0.218 31.908 31.700 -0.017 0.000 0.775 104 K N -0.905 119.491 120.400 -0.007 0.000 2.209 104 K HA -0.038 4.286 4.320 0.007 0.000 0.204 104 K C 1.748 178.357 176.600 0.015 0.000 1.048 104 K CA 1.384 57.674 56.287 0.004 0.000 0.940 104 K CB -0.663 31.841 32.500 0.006 0.000 0.729 104 K HN 0.167 nan 8.250 nan 0.000 0.451 105 T N 0.580 115.140 114.554 0.010 0.000 3.023 105 T HA -0.016 4.339 4.350 0.007 0.000 0.266 105 T C 0.646 175.369 174.700 0.039 0.000 1.093 105 T CA 0.555 62.676 62.100 0.035 0.000 1.129 105 T CB -0.004 68.878 68.868 0.023 0.000 0.899 105 T HN -0.042 nan 8.240 nan 0.000 0.491 106 V N 2.044 121.965 119.914 0.011 0.000 5.479 106 V HA -0.197 3.927 4.120 0.007 0.000 0.289 106 V C 0.667 176.762 176.094 0.002 0.000 0.595 106 V CA 0.383 62.681 62.300 -0.003 0.000 0.649 106 V CB -2.565 29.256 31.823 -0.004 0.000 0.390 106 V HN 0.576 nan 8.190 nan 0.000 0.974 107 S N 2.213 117.924 115.700 0.018 0.000 2.528 107 S HA 0.424 4.898 4.470 0.007 0.000 0.277 107 S C -0.050 174.561 174.600 0.019 0.000 1.297 107 S CA -0.655 57.580 58.200 0.057 0.000 1.052 107 S CB 1.425 64.678 63.200 0.088 0.000 0.917 107 S HN 0.501 nan 8.310 nan 0.000 0.492 108 P HA -0.049 nan 4.420 nan 0.000 0.228 108 P C -0.036 177.242 177.300 -0.036 0.000 1.151 108 P CA 1.034 64.104 63.100 -0.051 0.000 0.770 108 P CB -0.081 31.612 31.700 -0.011 0.000 0.786 109 Y N -1.010 119.303 120.300 0.023 0.000 2.720 109 Y HA 0.473 5.028 4.550 0.008 0.000 0.268 109 Y C 2.148 178.010 175.900 -0.063 0.000 1.142 109 Y CA -0.267 57.833 58.100 -0.001 0.000 1.193 109 Y CB -0.080 38.374 38.460 -0.010 0.000 1.176 109 Y HN -0.077 nan 8.280 nan 0.000 0.542 110 A N -0.736 122.093 122.820 0.015 0.000 1.933 110 A HA -0.171 4.153 4.320 0.007 0.000 0.218 110 A C 2.254 179.765 177.584 -0.120 0.000 1.175 110 A CA 2.166 54.173 52.037 -0.051 0.000 0.628 110 A CB -0.528 18.437 19.000 -0.059 0.000 0.814 110 A HN 0.344 nan 8.150 nan 0.000 0.444 111 S N -1.789 113.794 115.700 -0.194 0.000 2.474 111 S HA -0.098 4.377 4.470 0.007 0.000 0.235 111 S C 1.563 175.715 174.600 -0.748 0.000 0.997 111 S CA 0.783 58.755 58.200 -0.381 0.000 0.949 111 S CB -0.510 62.477 63.200 -0.355 0.000 0.766 111 S HN 0.645 nan 8.310 nan 0.000 0.517 112 Y N 2.238 122.135 120.300 -0.672 0.000 2.256 112 Y HA -0.088 4.466 4.550 0.007 0.000 0.288 112 Y C 1.681 177.331 175.900 -0.416 0.000 1.155 112 Y CA 1.037 58.776 58.100 -0.602 0.000 1.203 112 Y CB -0.337 38.048 38.460 -0.125 0.000 0.980 112 Y HN 0.218 nan 8.280 nan 0.000 0.530 113 L N -0.314 120.758 121.223 -0.253 0.000 2.291 113 L HA -0.157 4.188 4.340 0.007 0.000 0.214 113 L C 2.492 179.208 176.870 -0.256 0.000 1.120 113 L CA 0.898 55.582 54.840 -0.260 0.000 0.799 113 L CB -0.437 41.505 42.059 -0.195 0.000 0.925 113 L HN 0.209 nan 8.230 nan 0.000 0.446 114 Q N -0.237 119.384 119.800 -0.298 0.000 2.137 114 Q HA -0.162 4.182 4.340 0.007 0.000 0.198 114 Q C 2.145 177.976 176.000 -0.282 0.000 0.960 114 Q CA 1.494 57.129 55.803 -0.281 0.000 0.847 114 Q CB 0.043 28.663 28.738 -0.197 0.000 0.915 114 Q HN 0.434 nan 8.270 nan 0.000 0.448 115 Y N 0.020 120.178 120.300 -0.236 0.000 2.242 115 Y HA -0.005 4.549 4.550 0.007 0.000 0.291 115 Y C 2.351 178.206 175.900 -0.075 0.000 1.137 115 Y CA 0.771 58.791 58.100 -0.133 0.000 1.181 115 Y CB -1.232 37.130 38.460 -0.163 0.000 0.989 115 Y HN 0.182 nan 8.280 nan 0.000 0.527 116 A N -1.620 121.137 122.820 -0.106 0.000 2.067 116 A HA -0.079 4.246 4.320 0.007 0.000 0.217 116 A C 0.524 178.125 177.584 0.029 0.000 1.156 116 A CA 0.860 52.806 52.037 -0.152 0.000 0.683 116 A CB -0.698 18.106 19.000 -0.326 0.000 0.808 116 A HN 0.652 nan 8.150 nan 0.000 0.455 117 H N -2.593 116.431 119.070 -0.077 0.000 2.886 117 H HA -0.130 4.430 4.556 0.007 0.000 0.294 117 H C -0.707 174.612 175.328 -0.015 0.000 1.246 117 H CA 0.434 56.466 56.048 -0.027 0.000 1.142 117 H CB -1.890 27.867 29.762 -0.009 0.000 1.358 117 H HN 0.344 nan 8.280 nan 0.000 0.406 118 L N 1.768 122.994 121.223 0.005 0.000 2.483 118 L HA 0.033 4.377 4.340 0.007 0.000 0.276 118 L C 1.532 178.434 176.870 0.053 0.000 1.213 118 L CA 0.931 55.797 54.840 0.043 0.000 0.843 118 L CB 0.615 42.690 42.059 0.027 0.000 1.107 118 L HN 0.315 nan 8.230 nan 0.000 0.487 119 T N 0.184 114.785 114.554 0.079 0.000 2.940 119 T HA 0.115 4.470 4.350 0.007 0.000 0.309 119 T C 0.783 175.512 174.700 0.048 0.000 1.056 119 T CA -0.150 61.991 62.100 0.068 0.000 1.137 119 T CB 0.250 69.164 68.868 0.077 0.000 0.976 119 T HN 0.679 nan 8.240 nan 0.000 0.547 120 N N -0.501 118.220 118.700 0.036 0.000 2.936 120 N HA -0.186 4.559 4.740 0.007 0.000 0.236 120 N C 0.663 176.177 175.510 0.008 0.000 0.930 120 N CA 0.937 54.001 53.050 0.024 0.000 0.966 120 N CB -1.579 36.925 38.487 0.029 0.000 1.090 120 N HN 0.780 nan 8.380 nan 0.000 0.592 121 I N 1.574 122.142 120.570 -0.004 0.000 2.264 121 I HA -0.193 3.981 4.170 0.007 0.000 0.248 121 I C 1.741 177.837 176.117 -0.034 0.000 1.111 121 I CA 1.853 63.136 61.300 -0.029 0.000 1.382 121 I CB -0.017 37.944 38.000 -0.064 0.000 1.060 121 I HN 0.073 nan 8.210 nan 0.000 0.418 122 D N 0.563 120.946 120.400 -0.028 0.000 2.117 122 D HA -0.188 4.456 4.640 0.007 0.000 0.197 122 D C 1.696 177.988 176.300 -0.014 0.000 0.987 122 D CA 1.465 55.451 54.000 -0.024 0.000 0.829 122 D CB -0.288 40.504 40.800 -0.013 0.000 0.961 122 D HN 0.434 nan 8.370 nan 0.000 0.460 123 D N 0.301 120.698 120.400 -0.005 0.000 2.224 123 D HA -0.018 4.626 4.640 0.007 0.000 0.205 123 D C 2.305 178.602 176.300 -0.005 0.000 0.965 123 D CA 0.162 54.161 54.000 -0.002 0.000 0.852 123 D CB 0.043 40.845 40.800 0.004 0.000 0.947 123 D HN 0.280 nan 8.370 nan 0.000 0.494 124 I N 0.546 121.111 120.570 -0.008 0.000 2.202 124 I HA -0.202 3.972 4.170 0.007 0.000 0.242 124 I C 2.397 178.503 176.117 -0.018 0.000 1.091 124 I CA 0.657 61.951 61.300 -0.011 0.000 1.368 124 I CB -0.087 37.906 38.000 -0.012 0.000 1.058 124 I HN -0.064 nan 8.210 nan 0.000 0.410 125 I N 0.889 121.443 120.570 -0.026 0.000 2.264 125 I HA -0.296 3.878 4.170 0.007 0.000 0.248 125 I C 2.625 178.729 176.117 -0.021 0.000 1.111 125 I CA 2.077 63.358 61.300 -0.031 0.000 1.382 125 I CB -0.586 37.390 38.000 -0.041 0.000 1.060 125 I HN 0.421 nan 8.210 nan 0.000 0.418 126 T N -2.176 112.368 114.554 -0.016 0.000 3.055 126 T HA 0.137 4.492 4.350 0.007 0.000 0.265 126 T C 1.574 176.269 174.700 -0.008 0.000 1.111 126 T CA 0.687 62.781 62.100 -0.010 0.000 1.118 126 T CB 0.241 69.105 68.868 -0.007 0.000 0.909 126 T HN 0.568 nan 8.240 nan 0.000 0.501 127 G N 1.367 110.162 108.800 -0.008 0.000 2.175 127 G HA2 -0.262 3.702 3.960 0.007 0.000 0.244 127 G HA3 -0.262 3.702 3.960 0.007 0.000 0.244 127 G C 0.776 175.674 174.900 -0.003 0.000 0.982 127 G CA 0.322 45.418 45.100 -0.006 0.000 0.641 127 G HN 0.555 nan 8.290 nan 0.000 0.527 128 K N 0.072 120.471 120.400 -0.002 0.000 2.228 128 K HA 0.474 4.798 4.320 0.007 0.000 0.202 128 K C 1.287 177.889 176.600 0.003 0.000 1.051 128 K CA 1.163 57.450 56.287 0.001 0.000 0.960 128 K CB 0.219 32.720 32.500 0.002 0.000 0.743 128 K HN 0.721 nan 8.250 nan 0.000 0.458 129 A N 0.678 123.499 122.820 0.003 0.000 2.413 129 A HA 0.719 5.044 4.320 0.007 0.000 0.307 129 A C -1.056 176.531 177.584 0.005 0.000 1.087 129 A CA -0.861 51.179 52.037 0.006 0.000 0.750 129 A CB 1.346 20.351 19.000 0.009 0.000 1.296 129 A HN 0.134 nan 8.150 nan 0.000 0.423 130 A N 1.622 124.447 122.820 0.008 0.000 2.371 130 A HA 0.592 4.916 4.320 0.007 0.000 0.257 130 A C -1.704 175.885 177.584 0.009 0.000 1.089 130 A CA -1.234 50.807 52.037 0.008 0.000 0.794 130 A CB -0.262 18.744 19.000 0.011 0.000 1.029 130 A HN 0.518 nan 8.150 nan 0.000 0.488 131 P HA -0.191 nan 4.420 nan 0.000 0.218 131 P C 0.518 177.830 177.300 0.020 0.000 1.146 131 P CA 1.788 64.891 63.100 0.003 0.000 0.813 131 P CB -0.045 31.647 31.700 -0.014 0.000 0.778 132 D N -1.736 118.678 120.400 0.024 0.000 2.392 132 D HA -0.107 4.537 4.640 0.007 0.000 0.228 132 D C 1.151 177.473 176.300 0.038 0.000 1.003 132 D CA 1.074 55.094 54.000 0.034 0.000 0.917 132 D CB -1.287 39.532 40.800 0.033 0.000 0.890 132 D HN 0.196 nan 8.370 nan 0.000 0.532 133 T N -2.714 111.860 114.554 0.034 0.000 3.107 133 T HA 0.116 4.470 4.350 0.007 0.000 0.249 133 T C 0.641 175.370 174.700 0.047 0.000 1.096 133 T CA -0.706 61.416 62.100 0.037 0.000 1.012 133 T CB -0.378 68.507 68.868 0.028 0.000 0.977 133 T HN 0.108 nan 8.240 nan 0.000 0.527 134 L N 3.005 124.260 121.223 0.054 0.000 2.490 134 L HA 0.495 4.839 4.340 0.007 0.000 0.274 134 L C 1.145 178.074 176.870 0.098 0.000 1.201 134 L CA 0.029 54.913 54.840 0.073 0.000 0.869 134 L CB 0.191 42.303 42.059 0.088 0.000 1.123 134 L HN 0.286 nan 8.230 nan 0.000 0.484 135 G N 5.087 113.951 108.800 0.106 0.000 3.180 135 G HA2 0.300 4.265 3.960 0.007 0.000 0.246 135 G HA3 0.300 4.265 3.960 0.007 0.000 0.246 135 G C -0.466 174.537 174.900 0.172 0.000 0.939 135 G CA 0.490 45.664 45.100 0.125 0.000 1.920 135 G HN 0.604 nan 8.290 nan 0.000 0.612 136 V N 0.553 120.567 119.914 0.166 0.000 2.668 136 V HA 0.821 4.945 4.120 0.007 0.000 0.304 136 V C -0.952 175.202 176.094 0.100 0.000 1.071 136 V CA -0.975 61.430 62.300 0.175 0.000 0.894 136 V CB 1.976 33.958 31.823 0.266 0.000 1.008 136 V HN 0.671 nan 8.190 nan 0.000 0.425 137 K N 5.096 125.542 120.400 0.077 0.000 2.556 137 K HA 0.888 5.212 4.320 0.007 0.000 0.274 137 K C -1.142 175.482 176.600 0.040 0.000 0.966 137 K CA -0.596 55.723 56.287 0.053 0.000 0.865 137 K CB 2.295 34.830 32.500 0.058 0.000 1.444 137 K HN 0.972 nan 8.250 nan 0.000 0.433 138 A N 3.144 125.981 122.820 0.029 0.000 2.279 138 A HA 0.340 4.664 4.320 0.007 0.000 0.306 138 A C 0.852 178.453 177.584 0.029 0.000 1.300 138 A CA -0.914 51.137 52.037 0.024 0.000 0.925 138 A CB -0.247 18.759 19.000 0.010 0.000 1.152 138 A HN 0.792 nan 8.150 nan 0.000 0.544 139 L N 1.028 122.274 121.223 0.039 0.000 2.093 139 L HA -0.011 4.334 4.340 0.007 0.000 0.208 139 L C 0.671 177.558 176.870 0.029 0.000 1.085 139 L CA 1.536 56.398 54.840 0.037 0.000 0.755 139 L CB -0.478 41.607 42.059 0.044 0.000 0.904 139 L HN 0.951 nan 8.230 nan 0.000 0.435 140 D N -3.696 116.721 120.400 0.028 0.000 2.643 140 D HA 0.026 4.670 4.640 0.007 0.000 0.283 140 D C -0.002 176.291 176.300 -0.012 0.000 1.242 140 D CA -0.425 53.586 54.000 0.017 0.000 0.863 140 D CB 0.307 41.131 40.800 0.039 0.000 1.382 140 D HN -0.057 nan 8.370 nan 0.000 0.444 141 D N -1.153 119.207 120.400 -0.066 0.000 2.403 141 D HA -0.194 4.450 4.640 0.007 0.000 0.227 141 D C 0.172 176.232 176.300 -0.400 0.000 0.995 141 D CA 1.127 55.002 54.000 -0.208 0.000 0.928 141 D CB -0.283 40.359 40.800 -0.264 0.000 0.887 141 D HN 0.503 nan 8.370 nan 0.000 0.529 142 H N -1.331 117.761 119.070 0.037 0.000 3.052 142 H HA 0.241 4.802 4.556 0.007 0.000 0.257 142 H C -0.293 175.056 175.328 0.035 0.000 1.193 142 H CA -0.101 55.967 56.048 0.033 0.000 1.072 142 H CB 0.918 30.692 29.762 0.020 0.000 1.685 142 H HN 0.005 nan 8.280 nan 0.000 0.630 143 T N 2.081 116.702 114.554 0.111 0.000 2.847 143 T HA 0.328 4.683 4.350 0.007 0.000 0.291 143 T C -0.505 174.244 174.700 0.082 0.000 0.998 143 T CA -0.465 61.695 62.100 0.100 0.000 0.967 143 T CB 1.916 70.832 68.868 0.082 0.000 0.954 143 T HN 0.015 nan 8.240 nan 0.000 0.441 144 L N 3.229 124.516 121.223 0.106 0.000 2.313 144 L HA 0.601 4.946 4.340 0.007 0.000 0.283 144 L C -0.140 176.845 176.870 0.192 0.000 1.013 144 L CA -0.353 54.540 54.840 0.087 0.000 0.816 144 L CB 1.276 43.311 42.059 -0.041 0.000 1.236 144 L HN 0.644 nan 8.230 nan 0.000 0.419 145 E N 4.175 124.470 120.200 0.158 0.000 2.171 145 E HA 0.556 4.910 4.350 0.007 0.000 0.271 145 E C -1.802 174.941 176.600 0.238 0.000 0.916 145 E CA -0.753 55.768 56.400 0.202 0.000 0.774 145 E CB 1.741 31.522 29.700 0.134 0.000 1.128 145 E HN 0.477 nan 8.360 nan 0.000 0.403 146 V N 3.942 124.062 119.914 0.344 0.000 2.409 146 V HA 0.318 4.442 4.120 0.007 0.000 0.291 146 V C -0.283 176.006 176.094 0.324 0.000 1.020 146 V CA -0.663 61.855 62.300 0.364 0.000 0.848 146 V CB 1.806 33.919 31.823 0.482 0.000 0.990 146 V HN 0.735 nan 8.190 nan 0.000 0.430 147 T N 6.832 121.531 114.554 0.242 0.000 2.758 147 T HA 0.652 5.006 4.350 0.007 0.000 0.285 147 T C -0.236 174.573 174.700 0.183 0.000 0.981 147 T CA -0.244 61.976 62.100 0.201 0.000 0.965 147 T CB 0.723 69.678 68.868 0.144 0.000 0.927 147 T HN 0.342 nan 8.240 nan 0.000 0.448 148 L N 2.061 123.401 121.223 0.195 0.000 2.352 148 L HA 0.443 4.787 4.340 0.007 0.000 0.269 148 L C 1.677 178.630 176.870 0.137 0.000 1.034 148 L CA -0.842 54.097 54.840 0.165 0.000 0.806 148 L CB 1.482 43.650 42.059 0.182 0.000 1.244 148 L HN 0.725 nan 8.230 nan 0.000 0.447 149 S N -0.826 114.957 115.700 0.139 0.000 2.522 149 S HA 0.132 4.607 4.470 0.007 0.000 0.227 149 S C 0.324 174.978 174.600 0.090 0.000 0.986 149 S CA 0.127 58.398 58.200 0.118 0.000 0.929 149 S CB -0.014 63.271 63.200 0.141 0.000 0.769 149 S HN 0.743 nan 8.310 nan 0.000 0.529 150 E N 0.517 120.760 120.200 0.072 0.000 2.401 150 E HA 0.332 4.686 4.350 0.007 0.000 0.280 150 E C -3.185 173.431 176.600 0.027 0.000 1.039 150 E CA -2.384 54.026 56.400 0.016 0.000 0.814 150 E CB 1.925 31.582 29.700 -0.070 0.000 1.275 150 E HN 0.037 nan 8.360 nan 0.000 0.448 151 P HA 0.040 nan 4.420 nan 0.000 0.267 151 P C -0.573 176.732 177.300 0.008 0.000 1.205 151 P CA 0.019 63.199 63.100 0.133 0.000 0.765 151 P CB 0.540 32.345 31.700 0.175 0.000 0.828 152 V N 6.921 126.861 119.914 0.043 0.000 2.380 152 V HA 0.140 4.264 4.120 0.007 0.000 0.268 152 V C -1.533 174.400 176.094 -0.268 0.000 1.008 152 V CA -1.427 60.686 62.300 -0.311 0.000 0.823 152 V CB 1.348 32.926 31.823 -0.409 0.000 1.053 152 V HN 0.364 nan 8.190 nan 0.000 0.446 153 P HA -0.164 nan 4.420 nan 0.000 0.216 153 P C 0.907 178.128 177.300 -0.131 0.000 1.150 153 P CA 1.465 64.195 63.100 -0.616 0.000 0.843 153 P CB -0.028 31.284 31.700 -0.648 0.000 0.787 154 Y N -2.735 117.540 120.300 -0.042 0.000 2.537 154 Y HA 0.367 4.921 4.550 0.007 0.000 0.303 154 Y C 1.588 177.383 175.900 -0.175 0.000 1.176 154 Y CA -0.712 57.372 58.100 -0.026 0.000 1.273 154 Y CB -1.277 37.204 38.460 0.034 0.000 1.110 154 Y HN -0.203 nan 8.280 nan 0.000 0.518 155 L N 2.053 123.031 121.223 -0.409 0.000 2.042 155 L HA -0.233 4.112 4.340 0.007 0.000 0.210 155 L C 2.229 178.801 176.870 -0.497 0.000 1.076 155 L CA 2.298 56.752 54.840 -0.644 0.000 0.749 155 L CB -0.658 40.665 42.059 -1.227 0.000 0.893 155 L HN 0.557 nan 8.230 nan 0.000 0.432 156 D N -0.741 119.440 120.400 -0.365 0.000 2.123 156 D HA -0.286 4.359 4.640 0.007 0.000 0.196 156 D C 1.820 178.088 176.300 -0.053 0.000 0.992 156 D CA 1.731 55.640 54.000 -0.153 0.000 0.833 156 D CB -0.392 40.502 40.800 0.157 0.000 0.954 156 D HN 0.419 nan 8.370 nan 0.000 0.455 157 K N 0.197 120.621 120.400 0.041 0.000 2.057 157 K HA 0.000 4.325 4.320 0.007 0.000 0.206 157 K C 2.476 179.116 176.600 0.066 0.000 1.050 157 K CA 0.480 56.838 56.287 0.117 0.000 0.935 157 K CB -0.175 32.461 32.500 0.226 0.000 0.715 157 K HN 0.131 nan 8.250 nan 0.000 0.439 158 L N 1.352 122.485 121.223 -0.150 0.000 2.046 158 L HA -0.161 4.184 4.340 0.007 0.000 0.208 158 L C 1.858 178.741 176.870 0.021 0.000 1.077 158 L CA 1.253 55.920 54.840 -0.290 0.000 0.747 158 L CB -0.117 41.547 42.059 -0.657 0.000 0.896 158 L HN 0.156 nan 8.230 nan 0.000 0.432 159 L N -0.133 121.043 121.223 -0.079 0.000 2.549 159 L HA -0.113 4.231 4.340 0.007 0.000 0.230 159 L C 2.486 179.394 176.870 0.065 0.000 1.162 159 L CA 0.550 55.366 54.840 -0.039 0.000 0.834 159 L CB -0.709 41.234 42.059 -0.193 0.000 0.947 159 L HN 0.341 nan 8.230 nan 0.000 0.452 160 A N -1.861 121.021 122.820 0.103 0.000 2.206 160 A HA -0.112 4.213 4.320 0.007 0.000 0.211 160 A C 1.096 178.756 177.584 0.126 0.000 1.158 160 A CA 0.125 52.239 52.037 0.129 0.000 0.761 160 A CB -0.615 18.474 19.000 0.149 0.000 0.801 160 A HN 0.354 nan 8.150 nan 0.000 0.473 161 H N 0.396 119.490 119.070 0.040 0.000 2.886 161 H HA 0.092 4.653 4.556 0.008 0.000 0.329 161 H C -1.692 173.537 175.328 -0.165 0.000 1.044 161 H CA -1.328 54.646 56.048 -0.122 0.000 1.456 161 H CB 1.144 30.688 29.762 -0.363 0.000 1.464 161 H HN 0.015 nan 8.280 nan 0.000 0.573 162 P HA -0.237 nan 4.420 nan 0.000 0.217 162 P C 1.751 178.936 177.300 -0.191 0.000 1.158 162 P CA 0.920 63.803 63.100 -0.362 0.000 0.887 162 P CB 0.108 31.521 31.700 -0.478 0.000 0.792 163 L N -1.897 119.175 121.223 -0.250 0.000 2.351 163 L HA -0.118 4.227 4.340 0.007 0.000 0.220 163 L C 1.699 178.642 176.870 0.121 0.000 1.127 163 L CA 1.835 56.663 54.840 -0.020 0.000 0.786 163 L CB -0.776 41.161 42.059 -0.204 0.000 0.914 163 L HN -0.036 nan 8.230 nan 0.000 0.443 164 M N -1.504 118.163 119.600 0.112 0.000 2.453 164 M HA 0.186 4.670 4.480 0.007 0.000 0.239 164 M C 0.766 177.367 176.300 0.501 0.000 1.151 164 M CA 0.120 55.568 55.300 0.247 0.000 0.989 164 M CB -0.706 31.968 32.600 0.124 0.000 1.548 164 M HN 0.039 nan 8.290 nan 0.000 0.479 165 S N 2.763 118.649 115.700 0.309 0.000 2.601 165 S HA 0.405 4.879 4.470 0.007 0.000 0.271 165 S C -2.088 172.611 174.600 0.164 0.000 1.305 165 S CA -0.795 57.550 58.200 0.242 0.000 1.022 165 S CB 0.897 64.185 63.200 0.146 0.000 0.940 165 S HN 0.205 nan 8.310 nan 0.000 0.525 166 P HA 0.401 nan 4.420 nan 0.000 0.282 166 P C -1.022 176.395 177.300 0.196 0.000 1.259 166 P CA -0.493 62.518 63.100 -0.148 0.000 0.826 166 P CB 0.941 32.220 31.700 -0.701 0.000 1.064 167 V N -1.416 118.606 119.914 0.180 0.000 2.960 167 V HA 0.559 4.683 4.120 0.007 0.000 0.315 167 V C -0.097 175.825 176.094 -0.287 0.000 1.087 167 V CA -1.105 61.166 62.300 -0.048 0.000 0.982 167 V CB 1.821 33.453 31.823 -0.318 0.000 1.039 167 V HN 0.541 nan 8.190 nan 0.000 0.437 168 N N 2.038 120.206 118.700 -0.887 0.000 2.415 168 N HA 0.150 4.894 4.740 0.007 0.000 0.246 168 N C 0.797 175.863 175.510 -0.741 0.000 1.078 168 N CA -0.036 52.323 53.050 -1.152 0.000 0.942 168 N CB 1.350 38.952 38.487 -1.476 0.000 1.140 168 N HN 0.985 nan 8.380 nan 0.000 0.501 169 K N 2.436 122.423 120.400 -0.688 0.000 2.034 169 K HA -0.199 4.125 4.320 0.007 0.000 0.214 169 K C 1.183 177.438 176.600 -0.575 0.000 1.051 169 K CA 2.009 57.769 56.287 -0.878 0.000 0.931 169 K CB 0.040 31.760 32.500 -1.301 0.000 0.715 169 K HN 0.473 nan 8.250 nan 0.000 0.446 170 T N 0.810 115.070 114.554 -0.491 0.000 2.607 170 T HA -0.161 4.193 4.350 0.007 0.000 0.267 170 T C 1.916 176.446 174.700 -0.285 0.000 1.049 170 T CA 1.831 63.724 62.100 -0.345 0.000 1.162 170 T CB -0.336 68.357 68.868 -0.292 0.000 0.863 170 T HN 0.058 nan 8.240 nan 0.000 0.424 171 V N 1.092 120.836 119.914 -0.285 0.000 2.287 171 V HA -0.163 3.961 4.120 0.007 0.000 0.248 171 V C 2.689 178.746 176.094 -0.061 0.000 1.053 171 V CA 1.421 63.677 62.300 -0.075 0.000 1.027 171 V CB -0.830 30.923 31.823 -0.117 0.000 0.646 171 V HN 0.310 nan 8.190 nan 0.000 0.447 172 V N -0.093 119.593 119.914 -0.380 0.000 2.255 172 V HA -0.297 3.828 4.120 0.007 0.000 0.247 172 V C 2.419 178.434 176.094 -0.130 0.000 1.051 172 V CA 2.305 64.353 62.300 -0.420 0.000 1.018 172 V CB -0.668 30.809 31.823 -0.577 0.000 0.641 172 V HN 0.614 nan 8.190 nan 0.000 0.445 173 E N -0.464 119.641 120.200 -0.159 0.000 2.204 173 E HA -0.223 4.131 4.350 0.007 0.000 0.194 173 E C 2.245 178.761 176.600 -0.141 0.000 0.989 173 E CA 0.972 57.306 56.400 -0.110 0.000 0.824 173 E CB -0.079 29.539 29.700 -0.137 0.000 0.756 173 E HN 0.515 nan 8.360 nan 0.000 0.477 174 K N 0.136 120.398 120.400 -0.229 0.000 2.031 174 K HA -0.086 4.238 4.320 0.007 0.000 0.205 174 K C 0.952 177.212 176.600 -0.567 0.000 1.049 174 K CA 1.159 57.173 56.287 -0.455 0.000 0.939 174 K CB 0.112 32.211 32.500 -0.668 0.000 0.717 174 K HN 0.056 nan 8.250 nan 0.000 0.438 175 F N 0.050 120.025 119.950 0.043 0.000 2.682 175 F HA 0.305 4.837 4.527 0.007 0.000 0.308 175 F C 1.307 177.183 175.800 0.127 0.000 1.093 175 F CA -0.003 58.050 58.000 0.089 0.000 1.244 175 F CB 0.404 39.481 39.000 0.129 0.000 1.052 175 F HN 0.243 nan 8.300 nan 0.000 0.573 176 G N 1.505 110.452 108.800 0.246 0.000 2.652 176 G HA2 -0.414 3.551 3.960 0.007 0.000 0.318 176 G HA3 -0.414 3.551 3.960 0.007 0.000 0.318 176 G C 1.169 176.292 174.900 0.371 0.000 1.295 176 G CA 0.881 46.125 45.100 0.240 0.000 0.999 176 G HN 0.398 nan 8.290 nan 0.000 0.548 177 E N 0.714 121.066 120.200 0.253 0.000 2.273 177 E HA -0.125 4.229 4.350 0.007 0.000 0.198 177 E C 2.099 178.791 176.600 0.154 0.000 1.002 177 E CA 1.337 57.858 56.400 0.202 0.000 0.828 177 E CB -0.123 29.647 29.700 0.117 0.000 0.747 177 E HN 0.537 nan 8.360 nan 0.000 0.491 178 K N 0.748 121.268 120.400 0.200 0.000 2.417 178 K HA -0.007 4.317 4.320 0.007 0.000 0.196 178 K C 1.552 178.238 176.600 0.143 0.000 1.023 178 K CA -0.038 56.325 56.287 0.126 0.000 1.122 178 K CB 0.040 32.621 32.500 0.135 0.000 0.850 178 K HN 0.399 nan 8.250 nan 0.000 0.521 179 W N 1.648 123.023 121.300 0.124 0.000 2.392 179 W HA -0.147 4.516 4.660 0.006 0.000 0.279 179 W C 0.972 177.516 176.519 0.043 0.000 1.225 179 W CA 1.548 58.929 57.345 0.059 0.000 1.233 179 W CB -0.850 28.669 29.460 0.100 0.000 1.122 179 W HN -0.027 nan 8.180 nan 0.000 0.561 180 T N -0.687 113.503 114.554 -0.606 0.000 3.148 180 T HA 0.052 4.407 4.350 0.007 0.000 0.253 180 T C 0.800 175.569 174.700 0.115 0.000 1.134 180 T CA 0.067 61.948 62.100 -0.365 0.000 1.051 180 T CB -0.284 68.359 68.868 -0.375 0.000 0.959 180 T HN 0.186 nan 8.240 nan 0.000 0.525 181 Q N 1.775 121.592 119.800 0.028 0.000 2.364 181 Q HA 0.155 4.499 4.340 0.007 0.000 0.267 181 Q C -1.592 174.464 176.000 0.093 0.000 0.999 181 Q CA -1.853 53.974 55.803 0.041 0.000 0.886 181 Q CB 0.999 29.701 28.738 -0.059 0.000 1.243 181 Q HN 0.112 nan 8.270 nan 0.000 0.415 182 P HA -0.323 nan 4.420 nan 0.000 0.217 182 P C 0.889 178.229 177.300 0.067 0.000 1.158 182 P CA 1.791 64.948 63.100 0.096 0.000 0.887 182 P CB 0.091 31.839 31.700 0.081 0.000 0.792 183 Q N -1.981 117.824 119.800 0.008 0.000 2.297 183 Q HA -0.056 4.289 4.340 0.007 0.000 0.204 183 Q C 1.272 177.213 176.000 -0.099 0.000 0.962 183 Q CA 1.084 56.870 55.803 -0.029 0.000 0.879 183 Q CB -0.523 28.185 28.738 -0.049 0.000 0.947 183 Q HN 0.260 nan 8.270 nan 0.000 0.462 184 N N -0.108 118.496 118.700 -0.160 0.000 2.407 184 N HA 0.073 4.817 4.740 0.007 0.000 0.182 184 N C -0.446 175.049 175.510 -0.024 0.000 1.079 184 N CA -0.115 52.732 53.050 -0.338 0.000 0.882 184 N CB 0.134 38.153 38.487 -0.782 0.000 1.106 184 N HN 0.144 nan 8.380 nan 0.000 0.461 185 F N 2.322 122.271 119.950 -0.001 0.000 2.612 185 F HA -0.005 4.526 4.527 0.006 0.000 0.389 185 F C -0.017 175.901 175.800 0.197 0.000 1.055 185 F CA 0.255 58.333 58.000 0.130 0.000 1.232 185 F CB 0.474 39.496 39.000 0.038 0.000 1.044 185 F HN -0.329 nan 8.300 nan 0.000 0.560 186 V N 6.190 126.019 119.914 -0.141 0.000 2.483 186 V HA 0.739 4.864 4.120 0.007 0.000 0.297 186 V C 0.205 176.377 176.094 0.130 0.000 1.027 186 V CA -0.200 62.153 62.300 0.089 0.000 0.855 186 V CB 1.161 32.980 31.823 -0.006 0.000 0.995 186 V HN 0.987 nan 8.190 nan 0.000 0.424 187 G N 2.679 111.790 108.800 0.518 0.000 2.949 187 G HA2 0.511 4.475 3.960 0.007 0.000 0.285 187 G HA3 0.511 4.475 3.960 0.007 0.000 0.285 187 G C -0.112 175.066 174.900 0.462 0.000 1.395 187 G CA -0.309 45.169 45.100 0.631 0.000 0.901 187 G HN 0.619 nan 8.290 nan 0.000 0.519 188 N N -0.719 118.080 118.700 0.164 0.000 2.194 188 N HA 0.185 4.929 4.740 0.007 0.000 0.231 188 N C 0.778 176.372 175.510 0.141 0.000 1.247 188 N CA 0.250 53.294 53.050 -0.010 0.000 0.884 188 N CB 0.803 39.005 38.487 -0.476 0.000 1.146 188 N HN 0.670 nan 8.380 nan 0.000 0.516 189 G N 0.155 109.011 108.800 0.094 0.000 2.508 189 G HA2 0.478 4.442 3.960 0.007 0.000 0.278 189 G HA3 0.478 4.442 3.960 0.007 0.000 0.278 189 G C 0.791 175.389 174.900 -0.504 0.000 1.389 189 G CA 0.071 45.101 45.100 -0.117 0.000 1.050 189 G HN 0.230 nan 8.290 nan 0.000 0.522 190 A N -1.815 120.484 122.820 -0.868 0.000 2.119 190 A HA 0.371 4.695 4.320 0.007 0.000 0.216 190 A C 0.317 177.459 177.584 -0.738 0.000 1.152 190 A CA 0.729 52.149 52.037 -1.029 0.000 0.708 190 A CB -0.214 18.241 19.000 -0.909 0.000 0.805 190 A HN 0.459 nan 8.150 nan 0.000 0.460 191 Y N -0.603 119.601 120.300 -0.160 0.000 2.602 191 Y HA 0.530 5.086 4.550 0.010 0.000 0.342 191 Y C 0.083 175.973 175.900 -0.017 0.000 1.029 191 Y CA -1.105 56.957 58.100 -0.064 0.000 1.080 191 Y CB 1.663 40.085 38.460 -0.063 0.000 1.284 191 Y HN 0.167 nan 8.280 nan 0.000 0.485 192 K N 0.583 121.070 120.400 0.145 0.000 2.435 192 K HA 0.632 4.956 4.320 0.007 0.000 0.251 192 K C -1.801 174.808 176.600 0.016 0.000 0.954 192 K CA -1.133 55.219 56.287 0.108 0.000 0.820 192 K CB 2.186 34.780 32.500 0.157 0.000 1.292 192 K HN 0.475 nan 8.250 nan 0.000 0.436 193 L N 2.812 123.972 121.223 -0.105 0.000 2.456 193 L HA 0.129 4.473 4.340 0.007 0.000 0.277 193 L C 1.091 177.951 176.870 -0.017 0.000 1.124 193 L CA 0.676 55.418 54.840 -0.163 0.000 0.880 193 L CB 0.347 42.188 42.059 -0.363 0.000 1.192 193 L HN 0.931 nan 8.230 nan 0.000 0.463 194 K N 2.499 122.895 120.400 -0.005 0.000 2.121 194 K HA 0.083 4.408 4.320 0.007 0.000 0.203 194 K C -0.170 176.451 176.600 0.035 0.000 1.041 194 K CA 0.537 56.839 56.287 0.026 0.000 0.969 194 K CB 0.346 32.862 32.500 0.027 0.000 0.799 194 K HN 0.752 nan 8.250 nan 0.000 0.456 195 D N -1.771 118.650 120.400 0.034 0.000 2.655 195 D HA 0.226 4.870 4.640 0.007 0.000 0.229 195 D C -2.273 174.114 176.300 0.146 0.000 1.229 195 D CA -0.587 53.459 54.000 0.077 0.000 0.807 195 D CB 1.154 41.988 40.800 0.056 0.000 1.514 195 D HN 0.071 nan 8.370 nan 0.000 0.444 196 W N 5.198 126.467 121.300 -0.052 0.000 2.835 196 W HA 0.499 5.163 4.660 0.007 0.000 0.326 196 W C -1.945 174.548 176.519 -0.043 0.000 1.024 196 W CA -1.151 56.159 57.345 -0.058 0.000 1.267 196 W CB 0.474 29.885 29.460 -0.082 0.000 1.267 196 W HN 0.336 nan 8.180 nan 0.000 0.412 197 I N 6.634 127.418 120.570 0.357 0.000 2.354 197 I HA 0.160 4.335 4.170 0.007 0.000 0.286 197 I C 0.412 176.634 176.117 0.175 0.000 1.007 197 I CA -1.160 60.221 61.300 0.134 0.000 1.167 197 I CB 1.496 39.546 38.000 0.083 0.000 1.320 197 I HN -0.084 nan 8.210 nan 0.000 0.458 198 V N 7.162 127.081 119.914 0.009 0.000 2.506 198 V HA -0.104 4.021 4.120 0.007 0.000 0.296 198 V C 1.044 177.188 176.094 0.083 0.000 1.004 198 V CA 0.981 63.318 62.300 0.063 0.000 1.150 198 V CB -0.759 31.015 31.823 -0.081 0.000 0.911 198 V HN 1.069 nan 8.190 nan 0.000 0.476 199 N N 1.842 120.613 118.700 0.118 0.000 2.984 199 N HA -0.187 4.557 4.740 0.007 0.000 0.227 199 N C 0.946 176.488 175.510 0.054 0.000 0.903 199 N CA 1.232 54.325 53.050 0.071 0.000 0.995 199 N CB -0.445 38.071 38.487 0.047 0.000 1.065 199 N HN 0.869 nan 8.380 nan 0.000 0.585 200 E N -0.025 120.218 120.200 0.071 0.000 2.520 200 E HA 0.201 4.555 4.350 0.007 0.000 0.201 200 E C 0.487 177.117 176.600 0.050 0.000 0.894 200 E CA 0.342 56.772 56.400 0.050 0.000 1.161 200 E CB 0.688 30.414 29.700 0.044 0.000 1.137 200 E HN 0.381 nan 8.360 nan 0.000 0.510 201 R N 0.004 120.554 120.500 0.084 0.000 2.774 201 R HA 0.502 4.847 4.340 0.007 0.000 0.279 201 R C -1.829 174.517 176.300 0.076 0.000 1.022 201 R CA -0.680 55.455 56.100 0.057 0.000 0.855 201 R CB 0.632 30.949 30.300 0.027 0.000 1.279 201 R HN -0.061 nan 8.270 nan 0.000 0.485 202 I N 1.785 122.352 120.570 -0.005 0.000 2.512 202 I HA 0.360 4.534 4.170 0.007 0.000 0.287 202 I C -0.964 175.127 176.117 -0.043 0.000 1.069 202 I CA -1.173 60.072 61.300 -0.090 0.000 1.056 202 I CB 2.466 40.279 38.000 -0.311 0.000 1.229 202 I HN 0.341 nan 8.210 nan 0.000 0.429 203 V N 6.836 126.729 119.914 -0.035 0.000 2.459 203 V HA 0.501 4.625 4.120 0.007 0.000 0.295 203 V C -0.422 175.648 176.094 -0.040 0.000 1.029 203 V CA -0.648 61.632 62.300 -0.034 0.000 0.874 203 V CB 1.925 33.739 31.823 -0.014 0.000 0.985 203 V HN 0.354 nan 8.190 nan 0.000 0.438 204 L N 4.585 125.785 121.223 -0.040 0.000 2.346 204 L HA 0.660 5.005 4.340 0.007 0.000 0.274 204 L C 0.022 176.940 176.870 0.080 0.000 1.007 204 L CA -0.271 54.568 54.840 -0.003 0.000 0.818 204 L CB 1.933 43.969 42.059 -0.037 0.000 1.284 204 L HN 0.910 nan 8.230 nan 0.000 0.424 205 E N 1.962 122.263 120.200 0.168 0.000 2.312 205 E HA 0.524 4.878 4.350 0.007 0.000 0.267 205 E C -0.662 176.071 176.600 0.221 0.000 0.894 205 E CA -1.165 55.351 56.400 0.193 0.000 0.773 205 E CB 1.753 31.509 29.700 0.094 0.000 1.241 205 E HN 0.393 nan 8.360 nan 0.000 0.432 206 R N 1.081 121.652 120.500 0.118 0.000 2.523 206 R HA -0.031 4.314 4.340 0.007 0.000 0.281 206 R C -0.562 175.666 176.300 -0.120 0.000 0.969 206 R CA 0.448 56.441 56.100 -0.179 0.000 1.093 206 R CB 0.467 30.701 30.300 -0.109 0.000 0.917 206 R HN 0.527 nan 8.270 nan 0.000 0.408 207 S N 5.467 121.049 115.700 -0.198 0.000 2.434 207 S HA 0.281 4.756 4.470 0.007 0.000 0.318 207 S C -1.767 172.832 174.600 -0.001 0.000 1.062 207 S CA -1.913 56.260 58.200 -0.044 0.000 1.116 207 S CB 1.331 64.524 63.200 -0.012 0.000 0.977 207 S HN 0.545 nan 8.310 nan 0.000 0.480 208 P HA -0.120 nan 4.420 nan 0.000 0.217 208 P C 1.423 178.762 177.300 0.064 0.000 1.148 208 P CA 1.272 64.393 63.100 0.035 0.000 0.828 208 P CB -0.099 31.625 31.700 0.039 0.000 0.783 209 T N -5.799 108.813 114.554 0.097 0.000 3.085 209 T HA -0.123 4.232 4.350 0.007 0.000 0.263 209 T C 0.647 175.438 174.700 0.152 0.000 1.127 209 T CA -0.052 62.122 62.100 0.122 0.000 1.103 209 T CB -1.094 67.863 68.868 0.149 0.000 0.921 209 T HN -0.035 nan 8.240 nan 0.000 0.510 210 Y N 3.934 124.229 120.300 -0.009 0.000 2.650 210 Y HA 0.090 4.644 4.550 0.007 0.000 0.331 210 Y C 1.478 177.340 175.900 -0.064 0.000 1.165 210 Y CA -2.002 56.059 58.100 -0.064 0.000 1.473 210 Y CB 0.143 38.487 38.460 -0.192 0.000 1.224 210 Y HN 0.395 nan 8.280 nan 0.000 0.533 211 W N 4.412 125.414 121.300 -0.496 0.000 2.341 211 W HA -0.212 4.451 4.660 0.005 0.000 0.283 211 W C 0.019 176.241 176.519 -0.496 0.000 1.215 211 W CA 1.374 58.457 57.345 -0.437 0.000 1.211 211 W CB -0.160 29.090 29.460 -0.350 0.000 1.131 211 W HN 0.527 nan 8.180 nan 0.000 0.552 212 D N 0.600 119.954 120.400 -1.743 0.000 2.501 212 D HA -0.025 4.619 4.640 0.007 0.000 0.226 212 D C 1.678 177.722 176.300 -0.426 0.000 1.198 212 D CA -0.062 53.266 54.000 -1.121 0.000 0.830 212 D CB -0.812 39.011 40.800 -1.629 0.000 1.014 212 D HN 0.108 nan 8.370 nan 0.000 0.496 213 N N 0.421 118.975 118.700 -0.243 0.000 2.137 213 N HA -0.250 4.495 4.740 0.007 0.000 0.190 213 N C 1.618 177.096 175.510 -0.054 0.000 1.017 213 N CA 1.247 54.271 53.050 -0.045 0.000 0.859 213 N CB 0.202 38.679 38.487 -0.018 0.000 1.002 213 N HN 0.195 nan 8.380 nan 0.000 0.428 214 A N 0.717 123.498 122.820 -0.064 0.000 2.024 214 A HA -0.138 4.186 4.320 0.007 0.000 0.220 214 A C 2.020 179.585 177.584 -0.032 0.000 1.164 214 A CA 1.312 53.327 52.037 -0.036 0.000 0.643 214 A CB -0.196 18.788 19.000 -0.025 0.000 0.806 214 A HN 0.391 nan 8.150 nan 0.000 0.451 215 K N -0.940 119.433 120.400 -0.046 0.000 2.361 215 K HA 0.074 4.399 4.320 0.007 0.000 0.194 215 K C -0.143 176.458 176.600 0.001 0.000 1.032 215 K CA 0.125 56.397 56.287 -0.024 0.000 1.048 215 K CB 0.286 32.767 32.500 -0.031 0.000 0.842 215 K HN 0.276 nan 8.250 nan 0.000 0.526 216 T N 1.127 115.678 114.554 -0.006 0.000 2.870 216 T HA 0.055 4.409 4.350 0.007 0.000 0.300 216 T C 1.240 175.960 174.700 0.034 0.000 0.989 216 T CA -0.163 61.943 62.100 0.010 0.000 1.139 216 T CB 1.591 70.413 68.868 -0.076 0.000 0.920 216 T HN -0.181 nan 8.240 nan 0.000 0.537 217 V N 3.247 123.217 119.914 0.093 0.000 2.743 217 V HA 0.153 4.277 4.120 0.007 0.000 0.237 217 V C 1.043 177.211 176.094 0.124 0.000 1.113 217 V CA 0.150 62.511 62.300 0.102 0.000 1.141 217 V CB 0.035 31.945 31.823 0.145 0.000 0.873 217 V HN 0.714 nan 8.190 nan 0.000 0.486 218 I N 2.463 123.141 120.570 0.179 0.000 2.598 218 I HA 0.027 4.201 4.170 0.007 0.000 0.284 218 I C 1.006 177.263 176.117 0.234 0.000 1.140 218 I CA 0.797 62.204 61.300 0.179 0.000 1.420 218 I CB -0.295 37.797 38.000 0.153 0.000 1.387 218 I HN 0.377 nan 8.210 nan 0.000 0.553 219 N N 4.043 122.833 118.700 0.150 0.000 2.405 219 N HA 0.006 4.750 4.740 0.007 0.000 0.175 219 N C 0.336 175.950 175.510 0.174 0.000 1.051 219 N CA 0.123 53.255 53.050 0.137 0.000 0.899 219 N CB 0.427 38.954 38.487 0.067 0.000 1.000 219 N HN 0.634 nan 8.380 nan 0.000 0.451 220 Q N 0.851 120.723 119.800 0.120 0.000 2.295 220 Q HA 0.433 4.777 4.340 0.007 0.000 0.268 220 Q C -2.251 173.707 176.000 -0.071 0.000 1.010 220 Q CA -0.511 55.323 55.803 0.050 0.000 0.856 220 Q CB 2.234 30.983 28.738 0.020 0.000 1.349 220 Q HN -0.087 nan 8.270 nan 0.000 0.412 221 V N 2.818 122.626 119.914 -0.177 0.000 2.656 221 V HA 0.726 4.851 4.120 0.007 0.000 0.307 221 V C -1.317 174.593 176.094 -0.306 0.000 1.051 221 V CA -0.063 62.045 62.300 -0.320 0.000 0.893 221 V CB 2.450 33.947 31.823 -0.543 0.000 0.999 221 V HN 0.904 nan 8.190 nan 0.000 0.426 222 T N 6.461 120.816 114.554 -0.332 0.000 2.792 222 T HA 0.569 4.923 4.350 0.007 0.000 0.280 222 T C -1.384 173.099 174.700 -0.362 0.000 0.990 222 T CA 0.027 61.979 62.100 -0.247 0.000 0.960 222 T CB 0.901 69.686 68.868 -0.139 0.000 0.939 222 T HN 0.533 nan 8.240 nan 0.000 0.439 223 Y N 2.916 123.124 120.300 -0.154 0.000 2.335 223 Y HA 0.516 5.070 4.550 0.007 0.000 0.339 223 Y C 0.187 176.005 175.900 -0.137 0.000 0.987 223 Y CA -0.909 57.094 58.100 -0.162 0.000 1.140 223 Y CB 0.743 39.074 38.460 -0.215 0.000 1.173 223 Y HN 0.405 nan 8.280 nan 0.000 0.486 224 L N 6.353 127.583 121.223 0.012 0.000 2.344 224 L HA 0.478 4.823 4.340 0.007 0.000 0.272 224 L C -1.912 174.931 176.870 -0.046 0.000 1.035 224 L CA -1.928 52.902 54.840 -0.017 0.000 0.807 224 L CB 1.839 43.881 42.059 -0.029 0.000 1.237 224 L HN 0.422 nan 8.230 nan 0.000 0.442 225 P HA 0.230 nan 4.420 nan 0.000 0.240 225 P C -0.285 176.963 177.300 -0.086 0.000 1.854 225 P CA -0.066 62.984 63.100 -0.083 0.000 1.081 225 P CB -0.044 31.640 31.700 -0.026 0.000 1.646 226 I N 1.183 121.700 120.570 -0.089 0.000 2.421 226 I HA 0.016 4.190 4.170 0.007 0.000 0.291 226 I C 1.676 177.735 176.117 -0.098 0.000 1.089 226 I CA 0.087 61.348 61.300 -0.066 0.000 1.354 226 I CB 0.759 38.737 38.000 -0.036 0.000 1.413 226 I HN 0.034 nan 8.210 nan 0.000 0.513 227 S N 2.336 117.995 115.700 -0.070 0.000 2.501 227 S HA -0.035 4.439 4.470 0.007 0.000 0.220 227 S C 1.026 175.617 174.600 -0.014 0.000 0.997 227 S CA -0.287 57.875 58.200 -0.064 0.000 0.919 227 S CB 0.094 63.279 63.200 -0.026 0.000 0.778 227 S HN 0.604 nan 8.310 nan 0.000 0.523 228 S N 1.414 117.112 115.700 -0.003 0.000 2.405 228 S HA 0.254 4.729 4.470 0.007 0.000 0.291 228 S C 0.633 175.238 174.600 0.007 0.000 1.137 228 S CA -0.563 57.644 58.200 0.011 0.000 1.061 228 S CB 0.572 63.781 63.200 0.015 0.000 1.001 228 S HN 0.327 nan 8.310 nan 0.000 0.507 229 E N 3.509 123.713 120.200 0.008 0.000 2.204 229 E HA -0.093 4.261 4.350 0.007 0.000 0.195 229 E C 1.868 178.473 176.600 0.008 0.000 0.990 229 E CA 1.023 57.431 56.400 0.012 0.000 0.821 229 E CB -0.186 29.516 29.700 0.003 0.000 0.750 229 E HN 0.572 nan 8.360 nan 0.000 0.477 230 V N 0.561 120.479 119.914 0.007 0.000 2.261 230 V HA -0.277 3.847 4.120 0.007 0.000 0.246 230 V C 2.136 178.239 176.094 0.015 0.000 1.047 230 V CA 2.246 64.552 62.300 0.010 0.000 1.015 230 V CB -0.760 31.069 31.823 0.009 0.000 0.642 230 V HN 0.339 nan 8.190 nan 0.000 0.446 231 T N -0.572 113.991 114.554 0.015 0.000 2.788 231 T HA -0.204 4.150 4.350 0.007 0.000 0.268 231 T C 1.774 176.488 174.700 0.023 0.000 1.044 231 T CA 1.652 63.762 62.100 0.017 0.000 1.139 231 T CB -0.394 68.482 68.868 0.013 0.000 0.867 231 T HN 0.551 nan 8.240 nan 0.000 0.454 232 D N 0.950 121.363 120.400 0.021 0.000 2.092 232 D HA -0.098 4.546 4.640 0.007 0.000 0.193 232 D C 2.144 178.476 176.300 0.052 0.000 0.994 232 D CA 0.932 54.950 54.000 0.030 0.000 0.828 232 D CB -0.504 40.309 40.800 0.023 0.000 0.963 232 D HN 0.180 nan 8.370 nan 0.000 0.450 233 V N 0.947 120.881 119.914 0.033 0.000 2.270 233 V HA -0.186 3.938 4.120 0.007 0.000 0.245 233 V C 2.149 178.304 176.094 0.103 0.000 1.043 233 V CA 1.714 64.036 62.300 0.037 0.000 1.014 233 V CB -0.587 31.231 31.823 -0.007 0.000 0.645 233 V HN 0.263 nan 8.190 nan 0.000 0.447 234 N N 0.061 118.798 118.700 0.061 0.000 2.443 234 N HA -0.097 4.648 4.740 0.007 0.000 0.184 234 N C 1.418 176.964 175.510 0.059 0.000 1.037 234 N CA 0.893 53.975 53.050 0.053 0.000 0.896 234 N CB -0.196 38.309 38.487 0.029 0.000 0.959 234 N HN 0.360 nan 8.380 nan 0.000 0.442 235 R N -0.362 120.181 120.500 0.072 0.000 3.130 235 R HA 0.082 4.426 4.340 0.007 0.000 0.348 235 R C -0.232 176.130 176.300 0.103 0.000 1.241 235 R CA -0.151 55.983 56.100 0.057 0.000 1.141 235 R CB 0.178 30.497 30.300 0.032 0.000 1.453 235 R HN 0.241 nan 8.270 nan 0.000 0.590 236 Y N -1.461 118.821 120.300 -0.029 0.000 2.856 236 Y HA 0.184 4.738 4.550 0.007 0.000 0.252 236 Y C 1.525 177.405 175.900 -0.034 0.000 1.145 236 Y CA 0.092 58.169 58.100 -0.040 0.000 1.204 236 Y CB 0.442 38.872 38.460 -0.051 0.000 1.403 236 Y HN -0.104 nan 8.280 nan 0.000 0.462 237 R N 0.512 121.080 120.500 0.113 0.000 2.115 237 R HA -0.073 4.272 4.340 0.007 0.000 0.230 237 R C 1.968 178.234 176.300 -0.056 0.000 1.111 237 R CA 1.540 57.654 56.100 0.023 0.000 0.976 237 R CB -0.441 29.912 30.300 0.089 0.000 0.870 237 R HN 0.470 nan 8.270 nan 0.000 0.445 238 S N -0.814 114.863 115.700 -0.038 0.000 2.607 238 S HA 0.087 4.562 4.470 0.007 0.000 0.224 238 S C 1.404 175.963 174.600 -0.067 0.000 0.969 238 S CA 0.562 58.737 58.200 -0.041 0.000 0.927 238 S CB 0.491 63.678 63.200 -0.020 0.000 0.772 238 S HN 0.518 nan 8.310 nan 0.000 0.533 239 G N 1.243 109.971 108.800 -0.120 0.000 2.195 239 G HA2 -0.277 3.688 3.960 0.007 0.000 0.246 239 G HA3 -0.277 3.688 3.960 0.007 0.000 0.246 239 G C 0.572 175.418 174.900 -0.091 0.000 0.984 239 G CA 0.295 45.320 45.100 -0.125 0.000 0.633 239 G HN 0.574 nan 8.290 nan 0.000 0.525 240 E N -0.356 119.803 120.200 -0.068 0.000 2.347 240 E HA 0.220 4.575 4.350 0.007 0.000 0.196 240 E C 0.862 177.437 176.600 -0.041 0.000 1.008 240 E CA 0.570 56.943 56.400 -0.044 0.000 0.852 240 E CB 0.351 30.035 29.700 -0.027 0.000 0.783 240 E HN 0.621 nan 8.360 nan 0.000 0.505 241 I N 0.985 121.524 120.570 -0.051 0.000 2.498 241 I HA 0.085 4.259 4.170 0.007 0.000 0.290 241 I C 0.098 176.193 176.117 -0.037 0.000 1.032 241 I CA -0.554 60.739 61.300 -0.012 0.000 1.073 241 I CB 2.063 40.101 38.000 0.064 0.000 1.251 241 I HN -0.161 nan 8.210 nan 0.000 0.426 242 D N 5.376 125.770 120.400 -0.011 0.000 2.271 242 D HA 0.157 4.801 4.640 0.007 0.000 0.206 242 D C 0.182 176.509 176.300 0.045 0.000 0.967 242 D CA 1.334 55.318 54.000 -0.027 0.000 0.867 242 D CB 0.526 41.325 40.800 -0.001 0.000 0.960 242 D HN 0.373 nan 8.370 nan 0.000 0.509 243 M N 0.520 120.143 119.600 0.038 0.000 2.238 243 M HA 0.153 4.637 4.480 0.007 0.000 0.278 243 M C -0.432 175.845 176.300 -0.037 0.000 1.040 243 M CA -0.452 54.820 55.300 -0.047 0.000 0.969 243 M CB 2.805 35.303 32.600 -0.171 0.000 1.694 243 M HN -0.222 nan 8.290 nan 0.000 0.472 244 T N -0.638 113.855 114.554 -0.101 0.000 2.788 244 T HA 0.379 4.733 4.350 0.007 0.000 0.280 244 T C -0.285 174.391 174.700 -0.040 0.000 0.984 244 T CA -0.332 61.724 62.100 -0.073 0.000 0.972 244 T CB 1.054 69.813 68.868 -0.181 0.000 1.039 244 T HN 0.479 nan 8.240 nan 0.000 0.530 245 Y N 1.869 122.098 120.300 -0.120 0.000 2.299 245 Y HA 0.248 4.802 4.550 0.007 0.000 0.335 245 Y C 1.150 176.978 175.900 -0.121 0.000 1.287 245 Y CA -1.175 56.856 58.100 -0.114 0.000 1.424 245 Y CB 0.499 38.902 38.460 -0.095 0.000 1.326 245 Y HN 0.803 nan 8.280 nan 0.000 0.567 246 N N 2.765 121.029 118.700 -0.728 0.000 3.091 246 N HA 0.066 4.811 4.740 0.007 0.000 0.301 246 N C -1.573 173.727 175.510 -0.349 0.000 1.325 246 N CA -0.036 52.717 53.050 -0.495 0.000 1.143 246 N CB -0.861 37.319 38.487 -0.511 0.000 1.450 246 N HN 0.400 nan 8.380 nan 0.000 0.542 247 N N 0.954 119.550 118.700 -0.174 0.000 2.549 247 N HA 0.248 4.992 4.740 0.007 0.000 0.281 247 N C -0.995 174.515 175.510 0.000 0.000 1.084 247 N CA -0.313 52.731 53.050 -0.009 0.000 0.862 247 N CB 1.141 39.699 38.487 0.118 0.000 1.333 247 N HN 0.174 nan 8.380 nan 0.000 0.523 248 M N 2.883 122.480 119.600 -0.005 0.000 2.264 248 M HA 0.437 4.921 4.480 0.007 0.000 0.352 248 M C -2.167 174.130 176.300 -0.005 0.000 1.173 248 M CA -2.443 52.874 55.300 0.030 0.000 1.075 248 M CB 0.893 33.597 32.600 0.173 0.000 1.621 248 M HN 0.205 nan 8.290 nan 0.000 0.457 249 P HA 0.209 nan 4.420 nan 0.000 0.276 249 P C 0.627 177.929 177.300 0.003 0.000 1.230 249 P CA -0.118 62.974 63.100 -0.014 0.000 0.776 249 P CB 1.033 32.732 31.700 -0.002 0.000 0.888 250 I N 1.730 122.273 120.570 -0.046 0.000 2.394 250 I HA -0.251 3.923 4.170 0.007 0.000 0.251 250 I C 1.961 178.080 176.117 0.004 0.000 1.136 250 I CA 1.491 62.762 61.300 -0.048 0.000 1.425 250 I CB -0.453 37.489 38.000 -0.096 0.000 1.079 250 I HN 0.337 nan 8.210 nan 0.000 0.425 251 E N 0.913 121.112 120.200 -0.001 0.000 2.118 251 E HA -0.160 4.195 4.350 0.007 0.000 0.195 251 E C 1.839 178.451 176.600 0.020 0.000 0.992 251 E CA 1.229 57.632 56.400 0.005 0.000 0.804 251 E CB -0.078 29.622 29.700 -0.000 0.000 0.741 251 E HN 0.486 nan 8.360 nan 0.000 0.458 252 L N -0.965 120.278 121.223 0.034 0.000 2.766 252 L HA 0.221 4.566 4.340 0.007 0.000 0.242 252 L C 1.479 178.371 176.870 0.036 0.000 1.136 252 L CA -0.376 54.479 54.840 0.025 0.000 0.933 252 L CB 0.003 42.066 42.059 0.006 0.000 1.241 252 L HN 0.036 nan 8.230 nan 0.000 0.522 253 F N 1.779 121.689 119.950 -0.068 0.000 2.043 253 F HA -0.305 4.226 4.527 0.007 0.000 0.297 253 F C 2.710 178.470 175.800 -0.068 0.000 1.121 253 F CA 1.938 59.892 58.000 -0.077 0.000 1.199 253 F CB 0.027 38.974 39.000 -0.088 0.000 0.968 253 F HN 0.072 nan 8.300 nan 0.000 0.478 254 Q N 0.466 120.298 119.800 0.054 0.000 2.084 254 Q HA -0.251 4.094 4.340 0.007 0.000 0.202 254 Q C 2.301 178.233 176.000 -0.114 0.000 0.978 254 Q CA 1.845 57.620 55.803 -0.046 0.000 0.844 254 Q CB -0.667 28.092 28.738 0.034 0.000 0.898 254 Q HN 0.516 nan 8.270 nan 0.000 0.426 255 K N 0.595 120.949 120.400 -0.077 0.000 2.057 255 K HA -0.111 4.213 4.320 0.007 0.000 0.207 255 K C 2.194 178.726 176.600 -0.114 0.000 1.049 255 K CA 0.783 57.026 56.287 -0.074 0.000 0.931 255 K CB -0.082 32.392 32.500 -0.043 0.000 0.714 255 K HN 0.113 nan 8.250 nan 0.000 0.440 256 L N 0.849 121.973 121.223 -0.165 0.000 2.046 256 L HA -0.182 4.162 4.340 0.007 0.000 0.208 256 L C 2.416 179.140 176.870 -0.242 0.000 1.077 256 L CA 1.429 56.151 54.840 -0.197 0.000 0.747 256 L CB -0.325 41.584 42.059 -0.251 0.000 0.896 256 L HN 0.145 nan 8.230 nan 0.000 0.432 257 K N 0.011 120.204 120.400 -0.345 0.000 2.147 257 K HA -0.227 4.097 4.320 0.007 0.000 0.205 257 K C 2.144 178.636 176.600 -0.179 0.000 1.049 257 K CA 1.241 57.343 56.287 -0.309 0.000 0.936 257 K CB -0.038 32.245 32.500 -0.362 0.000 0.722 257 K HN 0.029 nan 8.250 nan 0.000 0.446 258 K N 1.669 121.985 120.400 -0.141 0.000 2.076 258 K HA -0.078 4.246 4.320 0.007 0.000 0.204 258 K C 1.533 178.088 176.600 -0.075 0.000 1.051 258 K CA 1.441 57.674 56.287 -0.091 0.000 0.949 258 K CB 0.203 32.660 32.500 -0.071 0.000 0.726 258 K HN 0.128 nan 8.250 nan 0.000 0.443 259 E N 0.036 120.190 120.200 -0.076 0.000 2.086 259 E HA 0.049 4.403 4.350 0.007 0.000 0.190 259 E C 0.473 177.043 176.600 -0.050 0.000 0.975 259 E CA 1.156 57.524 56.400 -0.053 0.000 0.813 259 E CB 0.146 29.822 29.700 -0.041 0.000 0.768 259 E HN 0.487 nan 8.360 nan 0.000 0.457 260 I N -2.649 117.881 120.570 -0.066 0.000 2.956 260 I HA 0.304 4.478 4.170 0.007 0.000 0.311 260 I C -2.551 173.511 176.117 -0.092 0.000 1.436 260 I CA -2.030 59.238 61.300 -0.054 0.000 0.872 260 I CB 1.207 39.202 38.000 -0.009 0.000 2.099 260 I HN -0.258 nan 8.210 nan 0.000 0.624 261 P HA -0.177 nan 4.420 nan 0.000 0.216 261 P C 0.771 177.983 177.300 -0.147 0.000 1.157 261 P CA 1.605 64.627 63.100 -0.130 0.000 0.880 261 P CB 0.159 31.799 31.700 -0.100 0.000 0.791 262 D N -1.484 118.848 120.400 -0.114 0.000 2.371 262 D HA -0.079 4.565 4.640 0.007 0.000 0.221 262 D C 1.699 177.913 176.300 -0.145 0.000 0.986 262 D CA 0.767 54.689 54.000 -0.130 0.000 0.899 262 D CB -0.347 40.412 40.800 -0.068 0.000 0.902 262 D HN 0.376 nan 8.370 nan 0.000 0.530 263 Q N -0.296 119.446 119.800 -0.097 0.000 2.384 263 Q HA 0.123 4.468 4.340 0.007 0.000 0.207 263 Q C -0.020 175.954 176.000 -0.044 0.000 0.904 263 Q CA 0.065 55.863 55.803 -0.007 0.000 0.933 263 Q CB 1.357 30.128 28.738 0.054 0.000 1.077 263 Q HN 0.028 nan 8.270 nan 0.000 0.522 264 V N 2.283 122.089 119.914 -0.180 0.000 2.353 264 V HA 0.104 4.228 4.120 0.007 0.000 0.264 264 V C -0.743 175.222 176.094 -0.215 0.000 1.049 264 V CA -0.314 61.875 62.300 -0.184 0.000 0.896 264 V CB 0.073 31.735 31.823 -0.268 0.000 1.025 264 V HN 0.208 nan 8.190 nan 0.000 0.475 265 H N 2.794 121.817 119.070 -0.079 0.000 2.488 265 H HA 0.643 5.203 4.556 0.008 0.000 0.322 265 H C -0.441 174.901 175.328 0.024 0.000 1.078 265 H CA -0.447 55.600 56.048 -0.001 0.000 1.260 265 H CB 1.683 31.481 29.762 0.060 0.000 1.425 265 H HN 0.403 nan 8.280 nan 0.000 0.471 266 V N 5.030 125.019 119.914 0.125 0.000 2.419 266 V HA 0.260 4.384 4.120 0.007 0.000 0.287 266 V C -0.607 175.545 176.094 0.097 0.000 1.017 266 V CA -0.681 61.688 62.300 0.115 0.000 0.844 266 V CB 1.279 33.175 31.823 0.122 0.000 1.011 266 V HN 0.827 nan 8.190 nan 0.000 0.429 267 D N 4.712 125.175 120.400 0.105 0.000 2.490 267 D HA 0.466 5.111 4.640 0.007 0.000 0.232 267 D C -2.845 173.517 176.300 0.103 0.000 1.053 267 D CA -1.569 52.482 54.000 0.085 0.000 0.914 267 D CB 2.853 43.705 40.800 0.086 0.000 1.431 267 D HN 0.181 nan 8.370 nan 0.000 0.483 268 P HA 0.000 nan 4.420 nan 0.000 0.264 268 P C -1.003 176.471 177.300 0.289 0.000 1.193 268 P CA 0.362 63.510 63.100 0.080 0.000 0.763 268 P CB 0.113 31.780 31.700 -0.055 0.000 0.810 269 Y N 3.354 123.800 120.300 0.242 0.000 2.386 269 Y HA 0.337 4.892 4.550 0.007 0.000 0.334 269 Y C -0.788 175.312 175.900 0.334 0.000 1.002 269 Y CA -1.356 56.889 58.100 0.241 0.000 1.068 269 Y CB 1.245 39.824 38.460 0.198 0.000 1.203 269 Y HN 0.162 nan 8.280 nan 0.000 0.443 270 L N 6.647 127.969 121.223 0.165 0.000 2.382 270 L HA 0.273 4.617 4.340 0.007 0.000 0.259 270 L C -0.822 175.954 176.870 -0.156 0.000 1.291 270 L CA 0.283 55.109 54.840 -0.023 0.000 1.176 270 L CB -0.855 41.215 42.059 0.019 0.000 1.373 270 L HN 0.606 nan 8.230 nan 0.000 0.426 271 c N -0.029 118.471 118.600 -0.166 0.000 3.086 271 c HA 0.587 5.161 4.570 0.007 0.000 0.311 271 c C 0.175 174.428 174.090 0.272 0.000 1.260 271 c CA -0.645 55.599 56.329 -0.141 0.000 1.426 271 c CB 2.461 44.447 42.510 -0.873 0.000 1.826 271 c HN 0.497 nan 8.230 nan 0.000 0.474 272 T N 1.339 116.115 114.554 0.371 0.000 2.841 272 T HA 0.413 4.767 4.350 0.007 0.000 0.285 272 T C -1.245 173.723 174.700 0.446 0.000 0.991 272 T CA -0.190 62.144 62.100 0.391 0.000 0.966 272 T CB 0.819 69.838 68.868 0.251 0.000 0.962 272 T HN 0.550 nan 8.240 nan 0.000 0.438 273 Y N 4.693 124.941 120.300 -0.086 0.000 2.327 273 Y HA 0.547 5.101 4.550 0.007 0.000 0.336 273 Y C -0.588 175.151 175.900 -0.269 0.000 1.035 273 Y CA -0.471 57.392 58.100 -0.394 0.000 1.165 273 Y CB 0.442 37.894 38.460 -1.681 0.000 1.181 273 Y HN 0.745 nan 8.280 nan 0.000 0.494 274 Y N 2.646 122.724 120.300 -0.370 0.000 2.625 274 Y HA 0.572 5.126 4.550 0.007 0.000 0.338 274 Y C -2.320 173.336 175.900 -0.407 0.000 1.123 274 Y CA -1.946 56.002 58.100 -0.254 0.000 1.046 274 Y CB 0.840 39.256 38.460 -0.072 0.000 1.299 274 Y HN 0.396 nan 8.280 nan 0.000 0.464 275 Y N 1.514 121.868 120.300 0.090 0.000 2.341 275 Y HA 0.297 4.852 4.550 0.008 0.000 0.340 275 Y C 0.100 176.028 175.900 0.048 0.000 0.997 275 Y CA -0.888 57.230 58.100 0.030 0.000 1.149 275 Y CB 1.443 40.063 38.460 0.266 0.000 1.171 275 Y HN 0.676 nan 8.280 nan 0.000 0.494 276 E N 4.661 124.857 120.200 -0.007 0.000 2.152 276 E HA 0.343 4.698 4.350 0.007 0.000 0.285 276 E C -1.022 175.628 176.600 0.083 0.000 1.043 276 E CA -0.282 56.145 56.400 0.044 0.000 0.839 276 E CB 0.461 30.066 29.700 -0.160 0.000 1.069 276 E HN 0.597 nan 8.360 nan 0.000 0.399 277 I N 4.444 125.025 120.570 0.017 0.000 2.331 277 I HA 0.088 4.263 4.170 0.007 0.000 0.292 277 I C 0.490 176.562 176.117 -0.075 0.000 0.998 277 I CA -0.722 60.485 61.300 -0.155 0.000 1.267 277 I CB 1.040 38.913 38.000 -0.212 0.000 1.386 277 I HN 0.498 nan 8.210 nan 0.000 0.476 278 N N 6.463 125.028 118.700 -0.224 0.000 2.400 278 N HA 0.016 4.761 4.740 0.007 0.000 0.267 278 N C 0.555 176.024 175.510 -0.068 0.000 1.208 278 N CA 0.446 53.349 53.050 -0.245 0.000 0.951 278 N CB 0.175 38.222 38.487 -0.734 0.000 1.227 278 N HN 0.568 nan 8.380 nan 0.000 0.488 279 N N 1.699 120.420 118.700 0.036 0.000 2.520 279 N HA -0.077 4.667 4.740 0.007 0.000 0.185 279 N C 0.160 175.697 175.510 0.045 0.000 1.068 279 N CA 0.571 53.663 53.050 0.069 0.000 0.911 279 N CB 0.382 38.945 38.487 0.126 0.000 0.961 279 N HN 0.596 nan 8.380 nan 0.000 0.446 280 Q N 0.328 120.129 119.800 0.001 0.000 2.217 280 Q HA 0.152 4.496 4.340 0.007 0.000 0.217 280 Q C -0.090 175.869 176.000 -0.070 0.000 0.844 280 Q CA 0.134 55.912 55.803 -0.043 0.000 0.957 280 Q CB 0.893 29.581 28.738 -0.084 0.000 1.127 280 Q HN 0.193 nan 8.270 nan 0.000 0.503 281 K N 0.858 121.225 120.400 -0.055 0.000 2.235 281 K HA 0.541 4.865 4.320 0.007 0.000 0.266 281 K C -0.713 175.899 176.600 0.019 0.000 0.980 281 K CA -0.397 55.865 56.287 -0.042 0.000 0.849 281 K CB 1.293 33.739 32.500 -0.090 0.000 1.098 281 K HN -0.022 nan 8.250 nan 0.000 0.445 282 A N 5.644 128.445 122.820 -0.033 0.000 2.545 282 A HA 0.192 4.516 4.320 0.007 0.000 0.253 282 A C -1.828 175.648 177.584 -0.180 0.000 1.074 282 A CA 0.198 52.188 52.037 -0.080 0.000 0.760 282 A CB -0.586 18.376 19.000 -0.064 0.000 1.005 282 A HN 0.952 nan 8.150 nan 0.000 0.506 283 P HA -0.183 nan 4.420 nan 0.000 0.535 283 P C 0.226 177.229 177.300 -0.494 0.000 0.600 283 P CA 0.710 63.573 63.100 -0.396 0.000 2.509 283 P CB -1.482 29.968 31.700 -0.416 0.000 1.141 284 F N 1.193 121.083 119.950 -0.101 0.000 2.802 284 F HA 0.138 4.669 4.527 0.008 0.000 0.300 284 F C 2.294 178.043 175.800 -0.085 0.000 1.168 284 F CA 1.777 59.698 58.000 -0.132 0.000 1.433 284 F CB -1.160 37.723 39.000 -0.194 0.000 1.115 284 F HN 0.061 nan 8.300 nan 0.000 0.582 285 T N -3.607 110.960 114.554 0.021 0.000 3.055 285 T HA -0.104 4.250 4.350 0.007 0.000 0.265 285 T C 0.749 175.454 174.700 0.007 0.000 1.111 285 T CA 0.272 62.381 62.100 0.015 0.000 1.118 285 T CB -0.228 68.633 68.868 -0.013 0.000 0.909 285 T HN 0.040 nan 8.240 nan 0.000 0.501 286 D N 1.313 121.705 120.400 -0.014 0.000 2.325 286 D HA 0.453 5.097 4.640 0.007 0.000 0.251 286 D C 1.205 177.511 176.300 0.010 0.000 1.196 286 D CA -0.035 53.960 54.000 -0.008 0.000 0.866 286 D CB 1.425 42.214 40.800 -0.020 0.000 1.101 286 D HN 0.197 nan 8.370 nan 0.000 0.476 287 A N 5.150 127.982 122.820 0.020 0.000 2.070 287 A HA -0.169 4.156 4.320 0.007 0.000 0.220 287 A C 2.048 179.641 177.584 0.015 0.000 1.159 287 A CA 1.000 53.051 52.037 0.024 0.000 0.656 287 A CB -0.083 18.938 19.000 0.035 0.000 0.800 287 A HN 0.654 nan 8.150 nan 0.000 0.453 288 R N -0.842 119.667 120.500 0.016 0.000 2.073 288 R HA -0.027 4.318 4.340 0.007 0.000 0.229 288 R C 1.960 178.263 176.300 0.004 0.000 1.120 288 R CA 1.304 57.415 56.100 0.018 0.000 0.967 288 R CB -0.516 29.801 30.300 0.029 0.000 0.862 288 R HN 0.364 nan 8.270 nan 0.000 0.436 289 V N 1.331 121.244 119.914 -0.003 0.000 2.295 289 V HA -0.237 3.887 4.120 0.007 0.000 0.246 289 V C 2.353 178.421 176.094 -0.044 0.000 1.049 289 V CA 1.717 63.988 62.300 -0.047 0.000 1.024 289 V CB -0.509 31.246 31.823 -0.114 0.000 0.648 289 V HN 0.287 nan 8.190 nan 0.000 0.447 290 R N -0.042 120.457 120.500 -0.002 0.000 2.070 290 R HA -0.230 4.115 4.340 0.007 0.000 0.233 290 R C 2.407 178.676 176.300 -0.052 0.000 1.137 290 R CA 1.932 58.025 56.100 -0.012 0.000 0.945 290 R CB -0.446 29.856 30.300 0.004 0.000 0.845 290 R HN 0.648 nan 8.270 nan 0.000 0.430 291 E N 0.732 120.905 120.200 -0.045 0.000 2.118 291 E HA -0.216 4.138 4.350 0.007 0.000 0.195 291 E C 1.930 178.480 176.600 -0.083 0.000 0.992 291 E CA 1.302 57.657 56.400 -0.075 0.000 0.804 291 E CB -0.043 29.630 29.700 -0.045 0.000 0.741 291 E HN 0.375 nan 8.360 nan 0.000 0.458 292 A N 0.519 123.307 122.820 -0.053 0.000 1.877 292 A HA -0.171 4.153 4.320 0.007 0.000 0.216 292 A C 2.056 179.616 177.584 -0.040 0.000 1.186 292 A CA 1.303 53.316 52.037 -0.039 0.000 0.620 292 A CB -0.551 18.425 19.000 -0.040 0.000 0.822 292 A HN 0.290 nan 8.150 nan 0.000 0.443 293 L N -0.109 121.050 121.223 -0.108 0.000 2.141 293 L HA -0.104 4.240 4.340 0.007 0.000 0.209 293 L C 2.376 179.361 176.870 0.191 0.000 1.094 293 L CA 2.186 56.945 54.840 -0.134 0.000 0.763 293 L CB -0.620 41.185 42.059 -0.423 0.000 0.908 293 L HN 0.509 nan 8.230 nan 0.000 0.437 294 K N -0.113 120.308 120.400 0.036 0.000 2.025 294 K HA -0.139 4.185 4.320 0.007 0.000 0.207 294 K C 2.085 178.610 176.600 -0.125 0.000 1.049 294 K CA 1.349 57.627 56.287 -0.015 0.000 0.933 294 K CB -0.130 32.271 32.500 -0.164 0.000 0.714 294 K HN 0.237 nan 8.250 nan 0.000 0.438 295 L N 0.043 121.144 121.223 -0.205 0.000 2.109 295 L HA -0.033 4.312 4.340 0.007 0.000 0.207 295 L C 2.559 179.456 176.870 0.046 0.000 1.086 295 L CA 1.128 55.846 54.840 -0.203 0.000 0.760 295 L CB -0.572 41.401 42.059 -0.143 0.000 0.910 295 L HN 0.432 nan 8.230 nan 0.000 0.437 296 G N -0.215 108.679 108.800 0.156 0.000 2.443 296 G HA2 -0.215 3.749 3.960 0.007 0.000 0.219 296 G HA3 -0.215 3.749 3.960 0.007 0.000 0.219 296 G C 0.803 175.878 174.900 0.290 0.000 1.131 296 G CA -0.089 45.171 45.100 0.267 0.000 0.775 296 G HN 0.119 nan 8.290 nan 0.000 0.547 297 M N 1.761 121.542 119.600 0.302 0.000 2.239 297 M HA 0.235 4.720 4.480 0.007 0.000 0.348 297 M C -0.749 175.588 176.300 0.062 0.000 1.239 297 M CA -1.111 54.216 55.300 0.046 0.000 1.114 297 M CB 0.993 33.647 32.600 0.089 0.000 1.641 297 M HN -0.066 nan 8.290 nan 0.000 0.453 298 D N 4.341 124.738 120.400 -0.004 0.000 2.467 298 D HA 0.244 4.888 4.640 0.007 0.000 0.220 298 D C 0.546 176.868 176.300 0.036 0.000 1.103 298 D CA -0.010 54.011 54.000 0.035 0.000 0.886 298 D CB 0.431 41.237 40.800 0.011 0.000 1.025 298 D HN 0.737 nan 8.370 nan 0.000 0.514 299 R N 1.716 122.274 120.500 0.096 0.000 2.096 299 R HA -0.119 4.226 4.340 0.007 0.000 0.235 299 R C 1.668 178.002 176.300 0.056 0.000 1.127 299 R CA 0.918 57.084 56.100 0.111 0.000 0.968 299 R CB 0.110 30.540 30.300 0.216 0.000 0.861 299 R HN 0.443 nan 8.270 nan 0.000 0.440 300 D N 0.850 121.272 120.400 0.036 0.000 2.144 300 D HA -0.142 4.502 4.640 0.007 0.000 0.199 300 D C 1.776 178.065 176.300 -0.019 0.000 0.984 300 D CA 1.138 55.140 54.000 0.005 0.000 0.834 300 D CB 0.143 40.940 40.800 -0.004 0.000 0.955 300 D HN 0.201 nan 8.370 nan 0.000 0.465 301 I N 0.647 121.206 120.570 -0.019 0.000 2.141 301 I HA -0.199 3.975 4.170 0.007 0.000 0.236 301 I C 2.762 178.843 176.117 -0.059 0.000 1.071 301 I CA 0.497 61.775 61.300 -0.037 0.000 1.345 301 I CB -0.224 37.755 38.000 -0.035 0.000 1.066 301 I HN -0.012 nan 8.210 nan 0.000 0.406 302 I N 0.281 120.817 120.570 -0.057 0.000 2.361 302 I HA -0.261 3.914 4.170 0.007 0.000 0.251 302 I C 2.212 178.257 176.117 -0.119 0.000 1.133 302 I CA 1.296 62.551 61.300 -0.075 0.000 1.413 302 I CB 0.216 38.190 38.000 -0.043 0.000 1.073 302 I HN -0.005 nan 8.210 nan 0.000 0.424 303 V N 0.946 120.797 119.914 -0.105 0.000 2.341 303 V HA -0.119 4.005 4.120 0.007 0.000 0.240 303 V C 1.810 177.775 176.094 -0.215 0.000 1.035 303 V CA 1.684 63.863 62.300 -0.202 0.000 1.033 303 V CB -0.770 30.983 31.823 -0.116 0.000 0.678 303 V HN 0.426 nan 8.190 nan 0.000 0.464 304 N N 0.045 118.668 118.700 -0.128 0.000 2.424 304 N HA 0.015 4.760 4.740 0.007 0.000 0.178 304 N C 1.508 176.956 175.510 -0.102 0.000 1.060 304 N CA 0.631 53.614 53.050 -0.113 0.000 0.901 304 N CB 0.264 38.712 38.487 -0.064 0.000 0.979 304 N HN 0.537 nan 8.380 nan 0.000 0.451 305 K N -0.214 120.128 120.400 -0.097 0.000 2.367 305 K HA 0.216 4.541 4.320 0.007 0.000 0.198 305 K C 1.707 178.250 176.600 -0.095 0.000 1.132 305 K CA 0.159 56.397 56.287 -0.081 0.000 0.941 305 K CB 0.656 33.121 32.500 -0.058 0.000 1.052 305 K HN -0.139 nan 8.250 nan 0.000 0.507 306 V N 1.907 121.752 119.914 -0.116 0.000 2.341 306 V HA -0.094 4.031 4.120 0.007 0.000 0.240 306 V C 2.251 178.243 176.094 -0.169 0.000 1.035 306 V CA 1.508 63.734 62.300 -0.123 0.000 1.033 306 V CB -0.118 31.635 31.823 -0.116 0.000 0.678 306 V HN 0.197 nan 8.190 nan 0.000 0.464 307 K N 0.413 120.669 120.400 -0.240 0.000 2.044 307 K HA -0.074 4.250 4.320 0.007 0.000 0.204 307 K C 0.951 177.329 176.600 -0.371 0.000 1.045 307 K CA 1.077 57.159 56.287 -0.341 0.000 0.951 307 K CB -0.066 32.139 32.500 -0.491 0.000 0.738 307 K HN 0.423 nan 8.250 nan 0.000 0.443 308 N N 1.350 119.850 118.700 -0.335 0.000 2.669 308 N HA -0.198 4.546 4.740 0.007 0.000 0.266 308 N C -0.803 174.465 175.510 -0.403 0.000 1.024 308 N CA 0.827 53.708 53.050 -0.283 0.000 0.766 308 N CB -0.827 37.561 38.487 -0.164 0.000 0.898 308 N HN 0.482 nan 8.380 nan 0.000 0.548 309 Q N -0.645 118.831 119.800 -0.539 0.000 2.149 309 Q HA 0.318 4.663 4.340 0.007 0.000 0.221 309 Q C 1.307 177.092 176.000 -0.359 0.000 0.807 309 Q CA 0.266 55.613 55.803 -0.761 0.000 1.000 309 Q CB 0.660 28.760 28.738 -1.064 0.000 1.157 309 Q HN 0.597 nan 8.270 nan 0.000 0.487 310 G N 0.733 109.384 108.800 -0.248 0.000 2.192 310 G HA2 -0.162 3.803 3.960 0.007 0.000 0.193 310 G HA3 -0.162 3.803 3.960 0.007 0.000 0.193 310 G C -0.141 174.684 174.900 -0.125 0.000 0.999 310 G CA -0.343 44.680 45.100 -0.128 0.000 0.659 310 G HN 0.269 nan 8.290 nan 0.000 0.503 311 D N 0.287 120.543 120.400 -0.240 0.000 2.361 311 D HA 0.428 5.072 4.640 0.007 0.000 0.239 311 D C 0.694 176.958 176.300 -0.060 0.000 1.200 311 D CA 0.347 54.229 54.000 -0.197 0.000 0.915 311 D CB 0.987 41.387 40.800 -0.667 0.000 1.170 311 D HN 0.254 nan 8.370 nan 0.000 0.444 312 L N 1.429 122.721 121.223 0.115 0.000 2.333 312 L HA 0.299 4.644 4.340 0.007 0.000 0.280 312 L C -2.384 174.591 176.870 0.174 0.000 1.004 312 L CA -2.052 52.903 54.840 0.193 0.000 0.820 312 L CB 1.915 44.174 42.059 0.333 0.000 1.247 312 L HN -0.026 nan 8.230 nan 0.000 0.416 313 P HA -0.005 nan 4.420 nan 0.000 0.264 313 P C -0.749 176.560 177.300 0.015 0.000 1.183 313 P CA 0.129 63.334 63.100 0.174 0.000 0.763 313 P CB 0.671 32.553 31.700 0.304 0.000 0.807 314 A N 3.436 126.085 122.820 -0.285 0.000 2.306 314 A HA 0.481 4.805 4.320 0.007 0.000 0.314 314 A C -0.170 177.229 177.584 -0.309 0.000 1.164 314 A CA -0.337 51.186 52.037 -0.856 0.000 0.822 314 A CB 0.145 18.425 19.000 -1.201 0.000 1.130 314 A HN 0.704 nan 8.150 nan 0.000 0.496 315 Y N 0.191 120.287 120.300 -0.340 0.000 2.500 315 Y HA 0.585 5.140 4.550 0.008 0.000 0.246 315 Y C 0.578 176.404 175.900 -0.122 0.000 1.146 315 Y CA -0.454 57.365 58.100 -0.468 0.000 1.230 315 Y CB -0.263 37.367 38.460 -1.383 0.000 1.214 315 Y HN 0.783 nan 8.280 nan 0.000 0.526 316 G N -0.778 107.955 108.800 -0.111 0.000 2.782 316 G HA2 0.266 4.230 3.960 0.007 0.000 0.304 316 G HA3 0.266 4.230 3.960 0.007 0.000 0.304 316 G C -1.054 173.886 174.900 0.066 0.000 1.315 316 G CA -0.408 44.715 45.100 0.038 0.000 0.791 316 G HN 0.015 nan 8.290 nan 0.000 0.519 317 F N 0.792 120.656 119.950 -0.143 0.000 2.164 317 F HA 0.288 4.820 4.527 0.008 0.000 0.287 317 F C 1.721 177.346 175.800 -0.292 0.000 1.086 317 F CA 1.024 58.906 58.000 -0.196 0.000 1.249 317 F CB -0.263 38.603 39.000 -0.224 0.000 1.059 317 F HN 0.264 nan 8.300 nan 0.000 0.490 318 T N 4.353 118.636 114.554 -0.451 0.000 2.834 318 T HA 0.175 4.529 4.350 0.007 0.000 0.298 318 T C -2.490 171.640 174.700 -0.950 0.000 0.966 318 T CA -0.891 60.636 62.100 -0.954 0.000 1.141 318 T CB 0.814 69.318 68.868 -0.607 0.000 0.905 318 T HN -0.091 nan 8.240 nan 0.000 0.535 319 P HA 0.115 nan 4.420 nan 0.000 0.267 319 P C -1.590 175.036 177.300 -1.124 0.000 1.205 319 P CA -1.429 60.813 63.100 -1.431 0.000 0.765 319 P CB 0.318 31.126 31.700 -1.487 0.000 0.828 320 P HA -0.156 nan 4.420 nan 0.000 0.225 320 P C 0.498 177.631 177.300 -0.278 0.000 1.148 320 P CA 1.455 64.282 63.100 -0.456 0.000 0.779 320 P CB -0.303 31.250 31.700 -0.245 0.000 0.780 321 Y N -1.981 118.132 120.300 -0.312 0.000 2.470 321 Y HA 0.394 4.948 4.550 0.007 0.000 0.284 321 Y C 0.453 176.256 175.900 -0.162 0.000 1.188 321 Y CA -0.837 57.153 58.100 -0.183 0.000 1.269 321 Y CB -1.401 36.980 38.460 -0.132 0.000 1.094 321 Y HN -0.318 nan 8.280 nan 0.000 0.518 322 T N 1.352 115.682 114.554 -0.374 0.000 2.901 322 T HA 0.042 4.397 4.350 0.007 0.000 0.301 322 T C 0.222 174.832 174.700 -0.149 0.000 1.012 322 T CA -0.216 61.709 62.100 -0.291 0.000 1.135 322 T CB 0.991 69.606 68.868 -0.421 0.000 0.936 322 T HN 0.435 nan 8.240 nan 0.000 0.539 323 S N 2.053 117.707 115.700 -0.076 0.000 2.544 323 S HA 0.363 4.837 4.470 0.007 0.000 0.290 323 S C 1.521 176.091 174.600 -0.049 0.000 1.276 323 S CA 0.674 58.856 58.200 -0.029 0.000 1.075 323 S CB -0.662 62.547 63.200 0.013 0.000 0.849 323 S HN 1.187 nan 8.310 nan 0.000 0.494 324 G N 2.857 111.647 108.800 -0.018 0.000 2.175 324 G HA2 -0.107 3.858 3.960 0.007 0.000 0.244 324 G HA3 -0.107 3.858 3.960 0.007 0.000 0.244 324 G C 0.152 175.055 174.900 0.005 0.000 0.982 324 G CA 0.033 45.140 45.100 0.012 0.000 0.641 324 G HN 1.432 nan 8.290 nan 0.000 0.527 325 A N 0.209 122.989 122.820 -0.067 0.000 2.301 325 A HA 0.710 5.035 4.320 0.007 0.000 0.298 325 A C 0.072 177.632 177.584 -0.040 0.000 1.185 325 A CA -0.232 51.755 52.037 -0.085 0.000 0.830 325 A CB 0.635 19.506 19.000 -0.215 0.000 1.112 325 A HN 0.197 nan 8.150 nan 0.000 0.508 326 E N 3.077 123.274 120.200 -0.004 0.000 2.675 326 E HA 0.395 4.750 4.350 0.007 0.000 0.236 326 E C -1.239 175.362 176.600 0.002 0.000 1.059 326 E CA 0.083 56.484 56.400 0.001 0.000 0.775 326 E CB 0.905 30.614 29.700 0.015 0.000 1.356 326 E HN 0.623 nan 8.360 nan 0.000 0.403 327 L N 0.804 122.025 121.223 -0.004 0.000 2.319 327 L HA 0.678 5.023 4.340 0.007 0.000 0.267 327 L C 0.369 177.240 176.870 0.001 0.000 1.011 327 L CA -0.948 53.903 54.840 0.019 0.000 0.818 327 L CB 2.083 44.176 42.059 0.056 0.000 1.316 327 L HN 0.223 nan 8.230 nan 0.000 0.432 328 T N -1.684 112.822 114.554 -0.081 0.000 2.952 328 T HA 0.544 4.899 4.350 0.007 0.000 0.305 328 T C -2.848 171.522 174.700 -0.549 0.000 1.064 328 T CA -1.823 60.128 62.100 -0.249 0.000 1.008 328 T CB 1.886 70.651 68.868 -0.170 0.000 1.078 328 T HN 0.328 nan 8.240 nan 0.000 0.459 329 P HA 0.232 nan 4.420 nan 0.000 0.267 329 P C -2.343 174.522 177.300 -0.725 0.000 1.200 329 P CA -0.844 61.361 63.100 -1.492 0.000 0.772 329 P CB -0.379 30.409 31.700 -1.519 0.000 0.855 330 P HA 0.058 nan 4.420 nan 0.000 0.274 330 P C 0.946 177.884 177.300 -0.603 0.000 1.246 330 P CA -0.064 62.697 63.100 -0.565 0.000 0.795 330 P CB 0.888 32.233 31.700 -0.593 0.000 1.006 331 E N 1.861 121.836 120.200 -0.375 0.000 2.068 331 E HA -0.218 4.136 4.350 0.007 0.000 0.207 331 E C 1.833 178.055 176.600 -0.631 0.000 1.032 331 E CA 2.264 58.485 56.400 -0.299 0.000 0.839 331 E CB -1.017 28.648 29.700 -0.059 0.000 0.758 331 E HN 0.663 nan 8.360 nan 0.000 0.457 332 W N -0.301 120.481 121.300 -0.863 0.000 2.359 332 W HA -0.198 4.466 4.660 0.007 0.000 0.275 332 W C 1.591 177.685 176.519 -0.709 0.000 1.217 332 W CA 0.427 56.840 57.345 -1.554 0.000 1.196 332 W CB -1.072 27.720 29.460 -1.114 0.000 1.129 332 W HN 0.096 nan 8.180 nan 0.000 0.566 333 F N 2.648 122.026 119.950 -0.952 0.000 2.365 333 F HA -0.095 4.437 4.527 0.007 0.000 0.300 333 F C 2.399 178.047 175.800 -0.252 0.000 1.090 333 F CA 1.764 59.380 58.000 -0.639 0.000 1.408 333 F CB -0.391 38.076 39.000 -0.888 0.000 1.060 333 F HN -0.233 nan 8.300 nan 0.000 0.534 334 S N -0.765 114.788 115.700 -0.245 0.000 2.446 334 S HA -0.060 4.414 4.470 0.007 0.000 0.225 334 S C 0.450 175.101 174.600 0.085 0.000 1.016 334 S CA -0.081 58.060 58.200 -0.098 0.000 0.943 334 S CB -0.200 62.986 63.200 -0.024 0.000 0.786 334 S HN 0.236 nan 8.310 nan 0.000 0.508 335 W N 3.030 124.355 121.300 0.041 0.000 1.900 335 W HA 0.236 4.901 4.660 0.008 0.000 0.357 335 W C 1.129 177.663 176.519 0.024 0.000 1.390 335 W CA -0.838 56.540 57.345 0.055 0.000 1.428 335 W CB -1.087 28.441 29.460 0.114 0.000 1.295 335 W HN 0.029 nan 8.180 nan 0.000 0.666 336 T N -1.481 113.254 114.554 0.301 0.000 2.918 336 T HA 0.165 4.519 4.350 0.007 0.000 0.283 336 T C 0.677 175.491 174.700 0.189 0.000 1.001 336 T CA -0.537 61.660 62.100 0.162 0.000 1.041 336 T CB 1.632 70.559 68.868 0.098 0.000 1.028 336 T HN 0.273 nan 8.240 nan 0.000 0.511 337 Q N 0.468 120.345 119.800 0.128 0.000 2.170 337 Q HA -0.114 4.231 4.340 0.007 0.000 0.203 337 Q C 1.775 177.850 176.000 0.125 0.000 0.976 337 Q CA 1.767 57.650 55.803 0.133 0.000 0.858 337 Q CB -0.451 28.339 28.738 0.087 0.000 0.907 337 Q HN 0.851 nan 8.270 nan 0.000 0.433 338 E N -0.010 120.246 120.200 0.093 0.000 2.051 338 E HA -0.182 4.173 4.350 0.007 0.000 0.192 338 E C 1.710 178.353 176.600 0.071 0.000 0.991 338 E CA 1.489 57.930 56.400 0.068 0.000 0.799 338 E CB -0.287 29.438 29.700 0.042 0.000 0.748 338 E HN 0.186 nan 8.360 nan 0.000 0.449 339 K N 1.248 121.695 120.400 0.079 0.000 2.009 339 K HA -0.075 4.249 4.320 0.007 0.000 0.210 339 K C 2.003 178.677 176.600 0.124 0.000 1.049 339 K CA 1.530 57.833 56.287 0.027 0.000 0.929 339 K CB -0.141 32.336 32.500 -0.038 0.000 0.714 339 K HN -0.031 nan 8.250 nan 0.000 0.440 340 R N 0.261 120.951 120.500 0.318 0.000 2.091 340 R HA -0.070 4.274 4.340 0.007 0.000 0.238 340 R C 2.199 178.624 176.300 0.208 0.000 1.136 340 R CA 1.817 58.151 56.100 0.390 0.000 0.959 340 R CB -0.481 30.029 30.300 0.351 0.000 0.856 340 R HN 0.452 nan 8.270 nan 0.000 0.437 341 N N 0.223 119.012 118.700 0.149 0.000 2.309 341 N HA -0.180 4.565 4.740 0.007 0.000 0.182 341 N C 1.714 177.273 175.510 0.081 0.000 1.018 341 N CA 0.634 53.750 53.050 0.110 0.000 0.876 341 N CB 0.045 38.587 38.487 0.093 0.000 0.972 341 N HN 0.384 nan 8.380 nan 0.000 0.434 342 E N 1.116 121.355 120.200 0.065 0.000 2.028 342 E HA -0.133 4.221 4.350 0.007 0.000 0.191 342 E C 1.975 178.597 176.600 0.037 0.000 0.988 342 E CA 0.935 57.353 56.400 0.030 0.000 0.799 342 E CB 0.168 29.863 29.700 -0.009 0.000 0.755 342 E HN 0.006 nan 8.360 nan 0.000 0.447 343 V N 1.563 121.509 119.914 0.054 0.000 2.255 343 V HA -0.314 3.811 4.120 0.007 0.000 0.247 343 V C 2.534 178.676 176.094 0.080 0.000 1.051 343 V CA 1.983 64.330 62.300 0.078 0.000 1.018 343 V CB -0.996 30.935 31.823 0.179 0.000 0.641 343 V HN 0.480 nan 8.190 nan 0.000 0.445 344 A N -0.170 122.703 122.820 0.089 0.000 1.917 344 A HA -0.297 4.027 4.320 0.007 0.000 0.219 344 A C 2.281 179.894 177.584 0.049 0.000 1.182 344 A CA 2.342 54.416 52.037 0.061 0.000 0.633 344 A CB -0.499 18.543 19.000 0.069 0.000 0.819 344 A HN 0.594 nan 8.150 nan 0.000 0.448 345 K N -0.535 119.897 120.400 0.052 0.000 2.148 345 K HA -0.110 4.214 4.320 0.007 0.000 0.204 345 K C 2.191 178.819 176.600 0.045 0.000 1.050 345 K CA 1.325 57.640 56.287 0.046 0.000 0.942 345 K CB -0.120 32.407 32.500 0.044 0.000 0.724 345 K HN 0.538 nan 8.250 nan 0.000 0.446 346 K N 1.558 121.982 120.400 0.041 0.000 2.026 346 K HA -0.129 4.196 4.320 0.007 0.000 0.208 346 K C 2.036 178.661 176.600 0.042 0.000 1.048 346 K CA 1.102 57.411 56.287 0.036 0.000 0.929 346 K CB -0.062 32.455 32.500 0.028 0.000 0.713 346 K HN 0.057 nan 8.250 nan 0.000 0.439 347 L N 1.021 122.272 121.223 0.046 0.000 2.046 347 L HA -0.193 4.151 4.340 0.007 0.000 0.208 347 L C 2.410 179.318 176.870 0.064 0.000 1.077 347 L CA 1.020 55.888 54.840 0.048 0.000 0.747 347 L CB -0.336 41.748 42.059 0.042 0.000 0.896 347 L HN 0.232 nan 8.230 nan 0.000 0.432 348 L N -0.801 120.465 121.223 0.072 0.000 2.201 348 L HA -0.151 4.193 4.340 0.007 0.000 0.212 348 L C 2.773 179.746 176.870 0.172 0.000 1.105 348 L CA 0.849 55.768 54.840 0.131 0.000 0.775 348 L CB -0.664 41.436 42.059 0.068 0.000 0.913 348 L HN 0.240 nan 8.230 nan 0.000 0.440 349 A N 0.993 123.870 122.820 0.095 0.000 1.840 349 A HA -0.185 4.139 4.320 0.007 0.000 0.214 349 A C 2.112 179.714 177.584 0.030 0.000 1.198 349 A CA 1.322 53.397 52.037 0.064 0.000 0.608 349 A CB -0.532 18.494 19.000 0.042 0.000 0.839 349 A HN 0.557 nan 8.150 nan 0.000 0.443 350 E N 0.083 120.299 120.200 0.027 0.000 2.510 350 E HA 0.085 4.439 4.350 0.007 0.000 0.202 350 E C 1.262 177.858 176.600 -0.006 0.000 1.072 350 E CA 0.728 57.133 56.400 0.007 0.000 0.883 350 E CB -0.230 29.478 29.700 0.013 0.000 0.818 350 E HN 0.470 nan 8.360 nan 0.000 0.548 351 A N 0.966 123.795 122.820 0.014 0.000 2.308 351 A HA 0.451 4.775 4.320 0.007 0.000 0.217 351 A C 1.673 179.155 177.584 -0.170 0.000 1.216 351 A CA 0.338 52.369 52.037 -0.010 0.000 0.864 351 A CB -0.034 19.031 19.000 0.109 0.000 0.902 351 A HN 0.456 nan 8.150 nan 0.000 0.499 352 G N -1.981 106.720 108.800 -0.165 0.000 2.141 352 G HA2 -0.259 3.705 3.960 0.007 0.000 0.231 352 G HA3 -0.259 3.705 3.960 0.007 0.000 0.231 352 G C -0.180 174.483 174.900 -0.396 0.000 0.984 352 G CA 0.144 45.072 45.100 -0.287 0.000 0.660 352 G HN 0.438 nan 8.290 nan 0.000 0.525 353 Y N 1.144 121.425 120.300 -0.031 0.000 2.342 353 Y HA 0.628 5.182 4.550 0.007 0.000 0.334 353 Y C 1.049 176.939 175.900 -0.016 0.000 1.067 353 Y CA 0.263 58.347 58.100 -0.027 0.000 1.128 353 Y CB 2.107 40.548 38.460 -0.031 0.000 1.200 353 Y HN 0.384 nan 8.280 nan 0.000 0.464 354 T N -2.136 112.504 114.554 0.143 0.000 2.696 354 T HA 0.360 4.715 4.350 0.007 0.000 0.291 354 T C 0.491 175.232 174.700 0.068 0.000 1.095 354 T CA -1.131 61.016 62.100 0.079 0.000 1.026 354 T CB 1.575 70.465 68.868 0.037 0.000 1.390 354 T HN 0.505 nan 8.240 nan 0.000 0.513 355 K N 0.298 120.724 120.400 0.043 0.000 2.147 355 K HA -0.066 4.259 4.320 0.007 0.000 0.205 355 K C 1.417 178.035 176.600 0.031 0.000 1.049 355 K CA 1.727 58.034 56.287 0.033 0.000 0.936 355 K CB -0.138 32.376 32.500 0.024 0.000 0.722 355 K HN 0.518 nan 8.250 nan 0.000 0.446 356 D N 0.125 120.542 120.400 0.028 0.000 2.249 356 D HA -0.067 4.577 4.640 0.007 0.000 0.205 356 D C 0.382 176.700 176.300 0.031 0.000 0.962 356 D CA 0.770 54.783 54.000 0.022 0.000 0.860 356 D CB 0.116 40.924 40.800 0.013 0.000 0.955 356 D HN 0.061 nan 8.370 nan 0.000 0.505 357 N N 0.841 119.571 118.700 0.049 0.000 2.690 357 N HA 0.158 4.902 4.740 0.007 0.000 0.255 357 N C -2.938 172.666 175.510 0.158 0.000 1.195 357 N CA -1.260 51.836 53.050 0.076 0.000 0.790 357 N CB 2.320 40.832 38.487 0.041 0.000 1.216 357 N HN -0.110 nan 8.380 nan 0.000 0.528 358 P HA 0.211 nan 4.420 nan 0.000 0.281 358 P C -0.359 176.979 177.300 0.062 0.000 1.264 358 P CA -0.813 62.346 63.100 0.100 0.000 0.824 358 P CB 1.587 33.304 31.700 0.029 0.000 1.092 359 L N 1.694 122.815 121.223 -0.170 0.000 2.360 359 L HA 0.270 4.614 4.340 0.007 0.000 0.276 359 L C -0.190 176.608 176.870 -0.119 0.000 1.121 359 L CA 0.623 55.231 54.840 -0.386 0.000 0.845 359 L CB -0.612 41.062 42.059 -0.641 0.000 1.143 359 L HN 0.257 nan 8.230 nan 0.000 0.452 360 K N 6.561 126.946 120.400 -0.025 0.000 2.397 360 K HA 0.698 5.023 4.320 0.007 0.000 0.253 360 K C -1.302 175.369 176.600 0.118 0.000 0.932 360 K CA -0.419 55.845 56.287 -0.038 0.000 0.795 360 K CB 1.833 34.324 32.500 -0.014 0.000 1.159 360 K HN 0.548 nan 8.250 nan 0.000 0.424 361 F N -2.141 117.833 119.950 0.040 0.000 2.779 361 F HA 0.567 5.098 4.527 0.007 0.000 0.316 361 F C -1.118 174.737 175.800 0.091 0.000 1.164 361 F CA -1.103 56.961 58.000 0.107 0.000 0.924 361 F CB 1.042 40.197 39.000 0.258 0.000 1.348 361 F HN 0.214 nan 8.300 nan 0.000 0.467 362 S N 1.312 117.279 115.700 0.445 0.000 2.565 362 S HA 0.715 5.189 4.470 0.007 0.000 0.290 362 S C -1.426 173.431 174.600 0.428 0.000 1.150 362 S CA -0.529 57.852 58.200 0.302 0.000 1.058 362 S CB 1.573 64.905 63.200 0.221 0.000 1.032 362 S HN 0.712 nan 8.310 nan 0.000 0.510 363 L N 3.951 125.369 121.223 0.326 0.000 2.319 363 L HA 0.650 4.994 4.340 0.007 0.000 0.281 363 L C -1.138 175.934 176.870 0.337 0.000 1.005 363 L CA -0.721 54.338 54.840 0.364 0.000 0.828 363 L CB 1.047 43.314 42.059 0.346 0.000 1.227 363 L HN 0.610 nan 8.230 nan 0.000 0.415 364 L N 6.752 128.166 121.223 0.319 0.000 2.309 364 L HA 0.729 5.074 4.340 0.007 0.000 0.282 364 L C -1.231 175.873 176.870 0.390 0.000 1.036 364 L CA -0.129 54.877 54.840 0.277 0.000 0.806 364 L CB 1.274 43.462 42.059 0.214 0.000 1.220 364 L HN 0.654 nan 8.230 nan 0.000 0.429 365 Y N 2.226 122.621 120.300 0.159 0.000 2.597 365 Y HA 0.580 5.134 4.550 0.007 0.000 0.340 365 Y C -0.998 174.669 175.900 -0.387 0.000 1.097 365 Y CA -1.476 56.576 58.100 -0.079 0.000 1.037 365 Y CB 0.791 39.269 38.460 0.030 0.000 1.305 365 Y HN 0.741 nan 8.280 nan 0.000 0.463 366 N N 0.751 118.942 118.700 -0.848 0.000 2.514 366 N HA 0.100 4.845 4.740 0.007 0.000 0.277 366 N C -0.625 174.858 175.510 -0.045 0.000 1.126 366 N CA -0.267 52.404 53.050 -0.632 0.000 0.978 366 N CB 1.195 39.278 38.487 -0.674 0.000 1.106 366 N HN 0.795 nan 8.380 nan 0.000 0.461 367 T N 1.310 115.836 114.554 -0.046 0.000 2.765 367 T HA 0.119 4.474 4.350 0.007 0.000 0.275 367 T C 0.423 175.237 174.700 0.190 0.000 1.007 367 T CA 0.484 62.637 62.100 0.088 0.000 1.175 367 T CB -0.491 68.403 68.868 0.044 0.000 0.993 367 T HN 0.779 nan 8.240 nan 0.000 0.510 368 S N 2.096 117.960 115.700 0.272 0.000 2.678 368 S HA 0.165 4.640 4.470 0.007 0.000 0.290 368 S C 0.175 174.846 174.600 0.119 0.000 1.047 368 S CA -0.864 57.439 58.200 0.171 0.000 0.851 368 S CB 1.132 64.445 63.200 0.188 0.000 1.058 368 S HN 0.482 nan 8.310 nan 0.000 0.451 369 D N 1.451 121.873 120.400 0.037 0.000 2.084 369 D HA -0.085 4.560 4.640 0.007 0.000 0.194 369 D C 1.938 178.208 176.300 -0.050 0.000 0.990 369 D CA 1.630 55.632 54.000 0.004 0.000 0.826 369 D CB -0.180 40.614 40.800 -0.009 0.000 0.971 369 D HN 0.416 nan 8.370 nan 0.000 0.453 370 L N 1.474 122.629 121.223 -0.112 0.000 1.970 370 L HA -0.201 4.143 4.340 0.007 0.000 0.212 370 L C 2.274 179.044 176.870 -0.166 0.000 1.071 370 L CA 1.922 56.650 54.840 -0.187 0.000 0.751 370 L CB -0.960 40.921 42.059 -0.297 0.000 0.889 370 L HN 0.121 nan 8.230 nan 0.000 0.432 371 H N -0.288 118.799 119.070 0.029 0.000 2.421 371 H HA -0.144 4.416 4.556 0.007 0.000 0.298 371 H C 2.197 177.315 175.328 -0.351 0.000 1.087 371 H CA 1.485 57.528 56.048 -0.007 0.000 1.330 371 H CB -0.183 29.649 29.762 0.117 0.000 1.388 371 H HN 0.466 nan 8.280 nan 0.000 0.526 372 K N 1.444 121.655 120.400 -0.316 0.000 2.026 372 K HA -0.147 4.178 4.320 0.007 0.000 0.208 372 K C 2.257 178.696 176.600 -0.269 0.000 1.048 372 K CA 1.289 57.256 56.287 -0.534 0.000 0.929 372 K CB 0.100 32.517 32.500 -0.139 0.000 0.713 372 K HN 0.085 nan 8.250 nan 0.000 0.439 373 K N 0.653 120.968 120.400 -0.142 0.000 2.147 373 K HA -0.100 4.225 4.320 0.007 0.000 0.205 373 K C 2.107 178.655 176.600 -0.088 0.000 1.049 373 K CA 1.052 57.282 56.287 -0.096 0.000 0.936 373 K CB 0.006 32.457 32.500 -0.081 0.000 0.722 373 K HN 0.181 nan 8.250 nan 0.000 0.446 374 L N 0.075 121.255 121.223 -0.071 0.000 2.109 374 L HA -0.085 4.260 4.340 0.007 0.000 0.207 374 L C 2.544 179.437 176.870 0.038 0.000 1.086 374 L CA 0.967 55.801 54.840 -0.009 0.000 0.760 374 L CB -0.421 41.664 42.059 0.044 0.000 0.910 374 L HN 0.224 nan 8.230 nan 0.000 0.437 375 A N 0.292 123.101 122.820 -0.017 0.000 1.930 375 A HA -0.141 4.184 4.320 0.007 0.000 0.217 375 A C 2.193 179.744 177.584 -0.055 0.000 1.175 375 A CA 1.312 53.337 52.037 -0.019 0.000 0.627 375 A CB -0.549 18.345 19.000 -0.176 0.000 0.815 375 A HN 0.336 nan 8.150 nan 0.000 0.443 376 I N -0.363 120.162 120.570 -0.074 0.000 2.315 376 I HA -0.235 3.940 4.170 0.007 0.000 0.248 376 I C 2.901 178.983 176.117 -0.059 0.000 1.117 376 I CA 0.919 62.190 61.300 -0.048 0.000 1.404 376 I CB -0.210 37.765 38.000 -0.043 0.000 1.071 376 I HN 0.354 nan 8.210 nan 0.000 0.419 377 A N 0.647 123.424 122.820 -0.072 0.000 1.898 377 A HA -0.102 4.222 4.320 0.007 0.000 0.216 377 A C 2.530 180.028 177.584 -0.144 0.000 1.181 377 A CA 1.672 53.657 52.037 -0.088 0.000 0.620 377 A CB -0.746 18.205 19.000 -0.082 0.000 0.819 377 A HN 0.403 nan 8.150 nan 0.000 0.442 378 A N -0.055 122.648 122.820 -0.195 0.000 1.873 378 A HA 0.191 4.515 4.320 0.007 0.000 0.215 378 A C 2.510 179.870 177.584 -0.373 0.000 1.186 378 A CA 2.008 53.769 52.037 -0.460 0.000 0.616 378 A CB -1.057 17.555 19.000 -0.647 0.000 0.823 378 A HN 1.048 nan 8.150 nan 0.000 0.442 379 A N -0.844 121.899 122.820 -0.128 0.000 1.940 379 A HA -0.123 4.202 4.320 0.007 0.000 0.219 379 A C 2.480 180.075 177.584 0.020 0.000 1.176 379 A CA 2.232 54.286 52.037 0.029 0.000 0.631 379 A CB -0.899 18.112 19.000 0.017 0.000 0.814 379 A HN 0.546 nan 8.150 nan 0.000 0.446 380 S N -0.616 115.063 115.700 -0.035 0.000 2.368 380 S HA -0.076 4.399 4.470 0.007 0.000 0.224 380 S C 1.899 176.490 174.600 -0.015 0.000 1.029 380 S CA 1.272 59.460 58.200 -0.021 0.000 0.988 380 S CB -0.465 62.714 63.200 -0.035 0.000 0.838 380 S HN 0.494 nan 8.310 nan 0.000 0.462 381 I N 0.076 120.600 120.570 -0.077 0.000 2.252 381 I HA -0.156 4.019 4.170 0.007 0.000 0.245 381 I C 2.147 178.283 176.117 0.033 0.000 1.102 381 I CA 0.969 62.222 61.300 -0.078 0.000 1.385 381 I CB -0.340 37.542 38.000 -0.197 0.000 1.064 381 I HN 0.430 nan 8.210 nan 0.000 0.414 382 W N 1.518 122.814 121.300 -0.008 0.000 2.388 382 W HA -0.147 4.518 4.660 0.007 0.000 0.294 382 W C 2.613 179.124 176.519 -0.012 0.000 1.212 382 W CA 0.988 58.334 57.345 0.002 0.000 1.271 382 W CB -0.706 28.762 29.460 0.014 0.000 1.126 382 W HN 0.164 nan 8.180 nan 0.000 0.535 383 K N 0.951 121.467 120.400 0.193 0.000 2.002 383 K HA -0.190 4.134 4.320 0.007 0.000 0.209 383 K C 2.045 178.689 176.600 0.074 0.000 1.048 383 K CA 1.808 58.149 56.287 0.090 0.000 0.930 383 K CB -0.198 32.328 32.500 0.043 0.000 0.714 383 K HN -0.078 nan 8.250 nan 0.000 0.438 384 K N 0.129 120.568 120.400 0.064 0.000 2.057 384 K HA -0.117 4.207 4.320 0.007 0.000 0.207 384 K C 1.861 178.499 176.600 0.063 0.000 1.049 384 K CA 1.783 58.100 56.287 0.049 0.000 0.931 384 K CB -0.158 32.362 32.500 0.033 0.000 0.714 384 K HN 0.191 nan 8.250 nan 0.000 0.440 385 N N 0.235 118.990 118.700 0.092 0.000 2.333 385 N HA -0.002 4.743 4.740 0.007 0.000 0.178 385 N C 1.400 176.976 175.510 0.109 0.000 1.018 385 N CA 0.889 54.002 53.050 0.104 0.000 0.882 385 N CB 0.228 38.795 38.487 0.132 0.000 0.984 385 N HN 0.127 nan 8.380 nan 0.000 0.434 386 L N -2.265 119.032 121.223 0.123 0.000 2.878 386 L HA 0.384 4.728 4.340 0.007 0.000 0.253 386 L C 0.838 177.737 176.870 0.049 0.000 1.135 386 L CA 0.112 55.003 54.840 0.084 0.000 0.943 386 L CB 0.360 42.468 42.059 0.081 0.000 1.307 386 L HN 0.114 nan 8.230 nan 0.000 0.545 387 G N 1.999 110.830 108.800 0.052 0.000 2.176 387 G HA2 -0.242 3.722 3.960 0.007 0.000 0.252 387 G HA3 -0.242 3.722 3.960 0.007 0.000 0.252 387 G C 0.217 175.117 174.900 0.000 0.000 1.024 387 G CA 0.345 45.461 45.100 0.027 0.000 0.755 387 G HN 0.270 nan 8.290 nan 0.000 0.507 388 V N -2.598 117.310 119.914 -0.009 0.000 2.973 388 V HA 0.857 4.982 4.120 0.007 0.000 0.314 388 V C 0.024 176.055 176.094 -0.106 0.000 1.066 388 V CA -0.640 61.616 62.300 -0.073 0.000 1.021 388 V CB 2.148 33.918 31.823 -0.087 0.000 1.076 388 V HN 0.304 nan 8.190 nan 0.000 0.462 389 D N 1.224 121.515 120.400 -0.182 0.000 2.391 389 D HA 0.608 5.252 4.640 0.007 0.000 0.245 389 D C -1.080 174.988 176.300 -0.388 0.000 1.069 389 D CA -0.307 53.578 54.000 -0.192 0.000 0.831 389 D CB 1.913 42.649 40.800 -0.106 0.000 1.204 389 D HN 0.606 nan 8.370 nan 0.000 0.503 390 V N 4.460 124.167 119.914 -0.344 0.000 2.487 390 V HA 0.368 4.493 4.120 0.007 0.000 0.298 390 V C -0.158 175.836 176.094 -0.167 0.000 1.028 390 V CA -0.982 61.046 62.300 -0.454 0.000 0.860 390 V CB 1.630 33.217 31.823 -0.392 0.000 0.991 390 V HN 0.509 nan 8.190 nan 0.000 0.427 391 K N 5.271 125.612 120.400 -0.099 0.000 2.240 391 K HA 0.587 4.912 4.320 0.007 0.000 0.271 391 K C -0.764 175.884 176.600 0.079 0.000 1.018 391 K CA -0.579 55.712 56.287 0.006 0.000 0.874 391 K CB 0.940 33.453 32.500 0.022 0.000 1.098 391 K HN 0.615 nan 8.250 nan 0.000 0.458 392 L N 3.517 124.806 121.223 0.111 0.000 2.417 392 L HA 0.268 4.612 4.340 0.007 0.000 0.268 392 L C -0.006 176.970 176.870 0.177 0.000 1.158 392 L CA 0.181 55.144 54.840 0.204 0.000 0.819 392 L CB 0.802 43.014 42.059 0.255 0.000 1.112 392 L HN 0.723 nan 8.230 nan 0.000 0.458 393 E N 2.300 122.604 120.200 0.174 0.000 2.335 393 E HA 0.245 4.600 4.350 0.007 0.000 0.280 393 E C -1.493 174.960 176.600 -0.245 0.000 0.918 393 E CA -0.778 55.635 56.400 0.021 0.000 0.765 393 E CB 2.273 32.009 29.700 0.060 0.000 1.218 393 E HN 0.619 nan 8.360 nan 0.000 0.425 394 N N 2.163 120.638 118.700 -0.375 0.000 2.292 394 N HA 0.409 5.153 4.740 0.007 0.000 0.303 394 N C -0.859 174.495 175.510 -0.261 0.000 1.140 394 N CA -0.620 52.032 53.050 -0.662 0.000 0.788 394 N CB 2.356 40.314 38.487 -0.881 0.000 1.361 394 N HN 0.431 nan 8.380 nan 0.000 0.489 395 Q N -0.317 119.363 119.800 -0.200 0.000 2.456 395 Q HA 0.250 4.594 4.340 0.007 0.000 0.284 395 Q C -1.213 174.788 176.000 0.002 0.000 1.061 395 Q CA -0.782 55.001 55.803 -0.033 0.000 0.799 395 Q CB 2.654 31.433 28.738 0.069 0.000 1.445 395 Q HN 0.679 nan 8.270 nan 0.000 0.411 396 E N 1.024 121.260 120.200 0.060 0.000 2.404 396 E HA -0.075 4.280 4.350 0.007 0.000 0.261 396 E C 0.257 176.985 176.600 0.214 0.000 1.074 396 E CA -0.086 56.383 56.400 0.115 0.000 0.917 396 E CB 0.579 30.342 29.700 0.105 0.000 0.965 396 E HN 0.696 nan 8.360 nan 0.000 0.433 397 W N 4.191 125.516 121.300 0.042 0.000 2.280 397 W HA -0.372 4.292 4.660 0.007 0.000 0.332 397 W C 1.318 177.948 176.519 0.184 0.000 1.300 397 W CA 2.084 59.496 57.345 0.112 0.000 1.274 397 W CB -0.083 29.413 29.460 0.059 0.000 1.141 397 W HN 0.652 nan 8.180 nan 0.000 0.474 398 K N -0.691 119.788 120.400 0.133 0.000 2.063 398 K HA -0.170 4.155 4.320 0.007 0.000 0.208 398 K C 1.979 178.564 176.600 -0.025 0.000 1.048 398 K CA 2.464 58.746 56.287 -0.009 0.000 0.928 398 K CB -0.710 31.846 32.500 0.093 0.000 0.713 398 K HN 0.083 nan 8.250 nan 0.000 0.442 399 T N 0.801 115.381 114.554 0.044 0.000 2.857 399 T HA -0.099 4.256 4.350 0.007 0.000 0.266 399 T C 1.409 176.128 174.700 0.033 0.000 1.048 399 T CA 0.869 62.992 62.100 0.039 0.000 1.139 399 T CB -0.311 68.593 68.868 0.060 0.000 0.874 399 T HN 0.180 nan 8.240 nan 0.000 0.455 400 F N 2.246 122.125 119.950 -0.118 0.000 2.065 400 F HA -0.123 4.408 4.527 0.007 0.000 0.298 400 F C 1.855 177.507 175.800 -0.248 0.000 1.112 400 F CA 1.267 59.167 58.000 -0.167 0.000 1.212 400 F CB -0.684 38.229 39.000 -0.145 0.000 0.975 400 F HN 0.054 nan 8.300 nan 0.000 0.476 401 L N -0.079 120.896 121.223 -0.415 0.000 2.017 401 L HA -0.229 4.115 4.340 0.007 0.000 0.208 401 L C 2.504 179.241 176.870 -0.221 0.000 1.073 401 L CA 1.812 56.355 54.840 -0.495 0.000 0.745 401 L CB -1.039 40.749 42.059 -0.451 0.000 0.894 401 L HN 0.251 nan 8.230 nan 0.000 0.432 402 D N -0.173 120.165 120.400 -0.103 0.000 2.104 402 D HA -0.192 4.452 4.640 0.007 0.000 0.194 402 D C 1.891 178.187 176.300 -0.007 0.000 0.994 402 D CA 2.027 56.025 54.000 -0.004 0.000 0.830 402 D CB 0.168 40.966 40.800 -0.004 0.000 0.959 402 D HN 0.247 nan 8.370 nan 0.000 0.452 403 T N 0.824 115.342 114.554 -0.061 0.000 2.665 403 T HA -0.164 4.191 4.350 0.007 0.000 0.268 403 T C 2.124 176.818 174.700 -0.011 0.000 1.035 403 T CA 1.058 63.143 62.100 -0.024 0.000 1.151 403 T CB -0.136 68.711 68.868 -0.034 0.000 0.862 403 T HN 0.219 nan 8.240 nan 0.000 0.438 404 R N -0.063 120.286 120.500 -0.253 0.000 2.081 404 R HA -0.072 4.272 4.340 0.007 0.000 0.235 404 R C 2.441 178.736 176.300 -0.009 0.000 1.131 404 R CA 1.172 57.084 56.100 -0.314 0.000 0.960 404 R CB -0.406 29.435 30.300 -0.765 0.000 0.856 404 R HN 0.537 nan 8.270 nan 0.000 0.436 405 H N 0.645 119.705 119.070 -0.017 0.000 2.389 405 H HA -0.060 4.500 4.556 0.007 0.000 0.299 405 H C 1.913 177.341 175.328 0.166 0.000 1.081 405 H CA 1.248 57.334 56.048 0.065 0.000 1.345 405 H CB 0.156 29.909 29.762 -0.016 0.000 1.393 405 H HN 0.324 nan 8.280 nan 0.000 0.520 406 Q N -0.375 119.548 119.800 0.206 0.000 2.369 406 Q HA 0.003 4.348 4.340 0.007 0.000 0.206 406 Q C 1.122 177.145 176.000 0.038 0.000 0.963 406 Q CA 0.559 56.425 55.803 0.105 0.000 0.894 406 Q CB 0.400 29.177 28.738 0.066 0.000 0.965 406 Q HN 0.635 nan 8.270 nan 0.000 0.475 407 G N 1.483 110.369 108.800 0.144 0.000 2.153 407 G HA2 -0.285 3.679 3.960 0.007 0.000 0.252 407 G HA3 -0.285 3.679 3.960 0.007 0.000 0.252 407 G C 0.402 175.246 174.900 -0.094 0.000 0.994 407 G CA 0.640 45.707 45.100 -0.055 0.000 0.698 407 G HN 0.416 nan 8.290 nan 0.000 0.521 408 T N -1.341 113.260 114.554 0.077 0.000 3.591 408 T HA 0.589 4.943 4.350 0.007 0.000 0.232 408 T C -0.060 174.728 174.700 0.146 0.000 1.116 408 T CA 0.200 62.331 62.100 0.051 0.000 1.063 408 T CB -0.527 68.375 68.868 0.057 0.000 1.227 408 T HN 1.615 nan 8.240 nan 0.000 0.685 409 Y N -2.243 118.051 120.300 -0.011 0.000 2.713 409 Y HA 0.641 5.195 4.550 0.008 0.000 0.335 409 Y C -0.763 175.128 175.900 -0.014 0.000 1.222 409 Y CA -1.371 56.728 58.100 -0.001 0.000 1.061 409 Y CB 0.539 38.983 38.460 -0.026 0.000 1.314 409 Y HN -0.072 nan 8.280 nan 0.000 0.453 410 D N 0.586 120.999 120.400 0.021 0.000 2.735 410 D HA 0.230 4.874 4.640 0.007 0.000 0.267 410 D C -0.495 175.559 176.300 -0.410 0.000 1.081 410 D CA 1.082 54.958 54.000 -0.206 0.000 0.980 410 D CB 0.824 41.669 40.800 0.075 0.000 1.129 410 D HN 0.275 nan 8.370 nan 0.000 0.459 411 V N 0.624 120.504 119.914 -0.056 0.000 2.638 411 V HA 0.748 4.873 4.120 0.007 0.000 0.306 411 V C -0.728 175.502 176.094 0.226 0.000 1.052 411 V CA -0.911 61.371 62.300 -0.030 0.000 0.885 411 V CB 1.827 33.515 31.823 -0.225 0.000 0.999 411 V HN 0.263 nan 8.190 nan 0.000 0.424 412 A N 4.037 126.937 122.820 0.134 0.000 2.414 412 A HA 0.912 5.236 4.320 0.007 0.000 0.306 412 A C -0.443 177.212 177.584 0.118 0.000 1.054 412 A CA -0.936 51.130 52.037 0.048 0.000 0.724 412 A CB 1.616 20.343 19.000 -0.455 0.000 1.267 412 A HN 1.064 nan 8.150 nan 0.000 0.418 413 R N 0.994 121.634 120.500 0.233 0.000 2.543 413 R HA 0.741 5.085 4.340 0.007 0.000 0.277 413 R C -0.232 175.889 176.300 -0.298 0.000 1.074 413 R CA 0.837 56.909 56.100 -0.047 0.000 1.076 413 R CB 0.579 30.922 30.300 0.071 0.000 0.993 413 R HN 1.536 nan 8.270 nan 0.000 0.459 414 A N 1.366 123.713 122.820 -0.787 0.000 2.602 414 A HA 0.867 5.192 4.320 0.007 0.000 0.290 414 A C -1.560 175.546 177.584 -0.797 0.000 1.114 414 A CA -0.518 51.078 52.037 -0.735 0.000 0.683 414 A CB 1.641 20.058 19.000 -0.972 0.000 1.281 414 A HN 1.275 nan 8.150 nan 0.000 0.416 415 A N 0.158 122.836 122.820 -0.236 0.000 2.513 415 A HA 0.622 4.946 4.320 0.007 0.000 0.296 415 A C -1.506 176.293 177.584 0.360 0.000 1.052 415 A CA -0.115 51.992 52.037 0.117 0.000 0.714 415 A CB 0.856 19.935 19.000 0.132 0.000 1.279 415 A HN 1.586 nan 8.150 nan 0.000 0.397 416 W N 3.199 124.670 121.300 0.286 0.000 2.587 416 W HA 0.582 5.247 4.660 0.008 0.000 0.324 416 W C -1.609 174.848 176.519 -0.103 0.000 1.040 416 W CA -0.464 56.956 57.345 0.125 0.000 1.222 416 W CB 1.881 31.479 29.460 0.231 0.000 1.381 416 W HN 0.756 nan 8.180 nan 0.000 0.483 417 c N 4.329 122.428 118.600 -0.836 0.000 2.382 417 c HA 0.655 5.229 4.570 0.007 0.000 0.327 417 c C 0.834 174.295 174.090 -1.048 0.000 1.250 417 c CA -0.439 55.430 56.329 -0.767 0.000 1.707 417 c CB 0.634 42.805 42.510 -0.564 0.000 2.272 417 c HN 0.702 nan 8.230 nan 0.000 0.506 418 A N 2.478 124.829 122.820 -0.782 0.000 2.531 418 A HA 0.166 4.491 4.320 0.007 0.000 0.236 418 A C 0.820 178.198 177.584 -0.343 0.000 1.062 418 A CA 0.451 52.087 52.037 -0.668 0.000 0.760 418 A CB 0.191 19.030 19.000 -0.267 0.000 0.995 418 A HN 0.929 nan 8.150 nan 0.000 0.501 419 D N -0.814 119.478 120.400 -0.180 0.000 2.355 419 D HA 0.180 4.824 4.640 0.007 0.000 0.206 419 D C -0.244 176.270 176.300 0.357 0.000 1.010 419 D CA 1.437 55.556 54.000 0.198 0.000 0.875 419 D CB 0.179 41.232 40.800 0.422 0.000 0.966 419 D HN 0.691 nan 8.370 nan 0.000 0.512 420 Y N -2.129 118.216 120.300 0.075 0.000 2.581 420 Y HA 0.440 4.994 4.550 0.007 0.000 0.337 420 Y C -0.475 175.436 175.900 0.018 0.000 1.108 420 Y CA -1.453 56.692 58.100 0.074 0.000 1.033 420 Y CB 0.517 39.039 38.460 0.104 0.000 1.318 420 Y HN -0.409 nan 8.280 nan 0.000 0.459 421 N N 2.753 121.516 118.700 0.106 0.000 3.050 421 N HA 0.117 4.861 4.740 0.007 0.000 0.289 421 N C -1.087 174.394 175.510 -0.047 0.000 1.209 421 N CA 0.471 53.524 53.050 0.005 0.000 1.154 421 N CB -0.291 38.234 38.487 0.063 0.000 1.444 421 N HN 0.765 nan 8.380 nan 0.000 0.529 422 E N 1.205 121.267 120.200 -0.230 0.000 2.375 422 E HA 0.256 4.610 4.350 0.007 0.000 0.280 422 E C -2.287 174.023 176.600 -0.482 0.000 0.972 422 E CA -1.659 54.555 56.400 -0.310 0.000 0.782 422 E CB 2.044 31.552 29.700 -0.320 0.000 1.229 422 E HN 0.026 nan 8.360 nan 0.000 0.439 423 P HA -0.186 nan 4.420 nan 0.000 0.216 423 P C 1.340 178.252 177.300 -0.647 0.000 1.150 423 P CA 2.023 64.697 63.100 -0.711 0.000 0.843 423 P CB 0.185 31.172 31.700 -1.188 0.000 0.787 424 S N -1.393 113.892 115.700 -0.691 0.000 2.440 424 S HA -0.167 4.307 4.470 0.007 0.000 0.238 424 S C 2.165 176.585 174.600 -0.300 0.000 1.010 424 S CA 1.527 59.540 58.200 -0.311 0.000 0.972 424 S CB -1.516 61.670 63.200 -0.023 0.000 0.774 424 S HN 0.080 nan 8.310 nan 0.000 0.501 425 S N -0.181 115.154 115.700 -0.608 0.000 2.419 425 S HA 0.003 4.478 4.470 0.007 0.000 0.235 425 S C 1.170 175.578 174.600 -0.319 0.000 1.019 425 S CA 1.091 58.847 58.200 -0.740 0.000 0.982 425 S CB -0.534 61.828 63.200 -1.396 0.000 0.789 425 S HN 0.646 nan 8.310 nan 0.000 0.490 426 F N 0.757 120.531 119.950 -0.293 0.000 2.222 426 F HA 0.316 4.847 4.527 0.007 0.000 0.285 426 F C 1.983 177.703 175.800 -0.134 0.000 1.068 426 F CA 0.499 58.336 58.000 -0.273 0.000 1.265 426 F CB -0.407 38.260 39.000 -0.556 0.000 1.087 426 F HN 0.080 nan 8.300 nan 0.000 0.511 427 L N 0.170 121.467 121.223 0.122 0.000 2.127 427 L HA -0.259 4.086 4.340 0.007 0.000 0.211 427 L C 1.998 178.990 176.870 0.204 0.000 1.089 427 L CA 0.956 55.964 54.840 0.280 0.000 0.757 427 L CB -0.740 41.452 42.059 0.221 0.000 0.899 427 L HN 0.186 nan 8.230 nan 0.000 0.434 428 N N -0.118 118.530 118.700 -0.087 0.000 2.205 428 N HA -0.221 4.524 4.740 0.007 0.000 0.186 428 N C 1.799 177.176 175.510 -0.222 0.000 1.015 428 N CA 1.212 54.088 53.050 -0.289 0.000 0.862 428 N CB -0.227 37.636 38.487 -1.040 0.000 0.986 428 N HN 0.353 nan 8.380 nan 0.000 0.429 429 M N -0.390 119.041 119.600 -0.282 0.000 2.358 429 M HA -0.054 4.430 4.480 0.007 0.000 0.264 429 M C 0.732 176.878 176.300 -0.257 0.000 1.064 429 M CA 1.051 56.124 55.300 -0.379 0.000 1.093 429 M CB 0.077 32.077 32.600 -1.001 0.000 1.401 429 M HN 0.001 nan 8.290 nan 0.000 0.440 430 M N 0.465 119.985 119.600 -0.133 0.000 2.556 430 M HA 0.211 4.695 4.480 0.007 0.000 0.245 430 M C 0.437 176.739 176.300 0.004 0.000 1.128 430 M CA 0.165 55.342 55.300 -0.205 0.000 1.069 430 M CB -0.845 31.421 32.600 -0.556 0.000 1.469 430 M HN 0.149 nan 8.290 nan 0.000 0.494 431 L N 1.207 122.548 121.223 0.197 0.000 2.514 431 L HA -0.075 4.270 4.340 0.007 0.000 0.280 431 L C 1.793 178.719 176.870 0.094 0.000 1.223 431 L CA -0.238 54.748 54.840 0.243 0.000 0.864 431 L CB 0.354 42.543 42.059 0.216 0.000 1.118 431 L HN 0.346 nan 8.230 nan 0.000 0.494 432 S N 1.294 117.031 115.700 0.062 0.000 2.402 432 S HA -0.192 4.283 4.470 0.007 0.000 0.233 432 S C 1.141 175.744 174.600 0.005 0.000 1.030 432 S CA 1.403 59.594 58.200 -0.016 0.000 1.003 432 S CB -0.346 62.829 63.200 -0.043 0.000 0.813 432 S HN 0.898 nan 8.310 nan 0.000 0.477 433 N N 1.003 119.722 118.700 0.031 0.000 2.204 433 N HA 0.137 4.882 4.740 0.007 0.000 0.219 433 N C -0.022 175.506 175.510 0.029 0.000 1.151 433 N CA 0.220 53.284 53.050 0.024 0.000 0.867 433 N CB -0.041 38.458 38.487 0.018 0.000 1.043 433 N HN 0.360 nan 8.380 nan 0.000 0.516 434 S N 0.683 116.414 115.700 0.051 0.000 2.533 434 S HA 0.071 4.546 4.470 0.007 0.000 0.282 434 S C 1.397 176.003 174.600 0.010 0.000 1.304 434 S CA -0.014 58.225 58.200 0.066 0.000 1.063 434 S CB 0.505 63.786 63.200 0.137 0.000 0.881 434 S HN 0.403 nan 8.310 nan 0.000 0.493 435 S N 3.858 119.543 115.700 -0.025 0.000 2.500 435 S HA -0.091 4.383 4.470 0.007 0.000 0.239 435 S C 0.990 175.597 174.600 0.012 0.000 0.989 435 S CA 1.193 59.375 58.200 -0.030 0.000 0.951 435 S CB -0.672 62.481 63.200 -0.078 0.000 0.759 435 S HN 0.876 nan 8.310 nan 0.000 0.523 436 N N 1.410 120.088 118.700 -0.037 0.000 2.373 436 N HA 0.126 4.871 4.740 0.007 0.000 0.181 436 N C 0.125 175.524 175.510 -0.186 0.000 1.082 436 N CA -0.028 52.974 53.050 -0.079 0.000 0.885 436 N CB -0.063 38.307 38.487 -0.194 0.000 0.977 436 N HN 0.244 nan 8.380 nan 0.000 0.462 437 N N 1.421 120.022 118.700 -0.165 0.000 2.434 437 N HA -0.015 4.729 4.740 0.007 0.000 0.273 437 N C 0.417 175.691 175.510 -0.394 0.000 1.210 437 N CA 0.312 53.206 53.050 -0.259 0.000 0.992 437 N CB 0.326 38.710 38.487 -0.172 0.000 1.355 437 N HN 0.229 nan 8.380 nan 0.000 0.495 438 T N -1.762 112.512 114.554 -0.467 0.000 3.100 438 T HA -0.068 4.287 4.350 0.007 0.000 0.253 438 T C 1.639 176.012 174.700 -0.546 0.000 1.118 438 T CA 0.832 62.564 62.100 -0.613 0.000 1.058 438 T CB -0.215 68.303 68.868 -0.584 0.000 0.953 438 T HN 0.425 nan 8.240 nan 0.000 0.515 439 T N -1.061 113.260 114.554 -0.388 0.000 3.043 439 T HA -0.026 4.328 4.350 0.007 0.000 0.263 439 T C 0.827 175.465 174.700 -0.104 0.000 1.094 439 T CA 0.586 62.588 62.100 -0.165 0.000 1.127 439 T CB -0.569 68.201 68.868 -0.164 0.000 0.905 439 T HN 0.548 nan 8.240 nan 0.000 0.490 440 H N -0.895 118.169 119.070 -0.010 0.000 2.992 440 H HA -0.175 4.385 4.556 0.007 0.000 0.266 440 H C -0.333 174.997 175.328 0.003 0.000 1.200 440 H CA 0.855 56.895 56.048 -0.014 0.000 1.135 440 H CB -2.364 27.381 29.762 -0.029 0.000 1.282 440 H HN 0.695 nan 8.280 nan 0.000 0.351 441 Y N 2.303 122.543 120.300 -0.101 0.000 2.402 441 Y HA 0.347 4.901 4.550 0.007 0.000 0.333 441 Y C 0.054 175.889 175.900 -0.107 0.000 1.076 441 Y CA -0.041 57.983 58.100 -0.128 0.000 1.299 441 Y CB 0.682 38.997 38.460 -0.241 0.000 1.197 441 Y HN 0.026 nan 8.280 nan 0.000 0.517 442 K N 5.244 125.319 120.400 -0.540 0.000 2.559 442 K HA 0.363 4.688 4.320 0.007 0.000 0.249 442 K C -1.259 175.005 176.600 -0.560 0.000 0.958 442 K CA -0.609 55.412 56.287 -0.443 0.000 0.901 442 K CB 1.549 33.937 32.500 -0.185 0.000 1.124 442 K HN 0.546 nan 8.250 nan 0.000 0.437 443 S N 1.384 116.740 115.700 -0.573 0.000 2.779 443 S HA 0.173 4.647 4.470 0.007 0.000 0.293 443 S C 0.498 175.061 174.600 -0.061 0.000 1.150 443 S CA -0.582 57.422 58.200 -0.327 0.000 1.057 443 S CB 1.263 64.233 63.200 -0.382 0.000 1.021 443 S HN 0.504 nan 8.310 nan 0.000 0.485 444 S N 3.173 118.854 115.700 -0.032 0.000 2.442 444 S HA -0.081 4.393 4.470 0.007 0.000 0.236 444 S C 1.842 176.470 174.600 0.047 0.000 1.007 444 S CA 1.225 59.433 58.200 0.014 0.000 0.965 444 S CB -0.137 63.064 63.200 0.001 0.000 0.773 444 S HN 0.662 nan 8.310 nan 0.000 0.504 445 V N 0.929 120.882 119.914 0.064 0.000 2.307 445 V HA -0.132 3.992 4.120 0.007 0.000 0.245 445 V C 1.822 177.991 176.094 0.125 0.000 1.045 445 V CA 1.683 64.034 62.300 0.084 0.000 1.024 445 V CB -0.717 31.165 31.823 0.098 0.000 0.651 445 V HN 0.532 nan 8.190 nan 0.000 0.449 446 F N 1.665 121.641 119.950 0.042 0.000 2.113 446 F HA -0.155 4.376 4.527 0.007 0.000 0.297 446 F C 2.152 177.989 175.800 0.062 0.000 1.103 446 F CA 1.966 60.020 58.000 0.090 0.000 1.248 446 F CB -0.353 38.748 39.000 0.169 0.000 0.999 446 F HN 0.183 nan 8.300 nan 0.000 0.475 447 D N 0.515 121.017 120.400 0.170 0.000 2.123 447 D HA -0.212 4.432 4.640 0.007 0.000 0.196 447 D C 2.107 178.392 176.300 -0.024 0.000 0.992 447 D CA 1.529 55.572 54.000 0.073 0.000 0.833 447 D CB -0.416 40.442 40.800 0.096 0.000 0.954 447 D HN 0.194 nan 8.370 nan 0.000 0.455 448 K N 0.880 121.271 120.400 -0.014 0.000 2.057 448 K HA -0.063 4.261 4.320 0.007 0.000 0.207 448 K C 2.103 178.663 176.600 -0.066 0.000 1.049 448 K CA 0.899 57.172 56.287 -0.023 0.000 0.931 448 K CB -0.533 31.963 32.500 -0.006 0.000 0.714 448 K HN 0.138 nan 8.250 nan 0.000 0.440 449 L N 0.290 121.443 121.223 -0.116 0.000 2.046 449 L HA -0.172 4.173 4.340 0.007 0.000 0.208 449 L C 2.230 178.988 176.870 -0.186 0.000 1.077 449 L CA 0.781 55.529 54.840 -0.153 0.000 0.747 449 L CB -0.554 41.396 42.059 -0.182 0.000 0.896 449 L HN 0.176 nan 8.230 nan 0.000 0.432 450 I N 0.026 120.444 120.570 -0.253 0.000 2.353 450 I HA -0.198 3.976 4.170 0.007 0.000 0.248 450 I C 2.457 178.551 176.117 -0.038 0.000 1.119 450 I CA 1.381 62.587 61.300 -0.157 0.000 1.417 450 I CB -1.055 36.829 38.000 -0.194 0.000 1.078 450 I HN 0.342 nan 8.210 nan 0.000 0.421 451 E N 0.694 120.882 120.200 -0.020 0.000 2.110 451 E HA -0.216 4.138 4.350 0.007 0.000 0.193 451 E C 1.501 178.094 176.600 -0.012 0.000 0.988 451 E CA 1.145 57.566 56.400 0.035 0.000 0.804 451 E CB -0.075 29.654 29.700 0.047 0.000 0.745 451 E HN 0.465 nan 8.360 nan 0.000 0.458 452 D N 0.241 120.613 120.400 -0.046 0.000 2.264 452 D HA -0.106 4.538 4.640 0.007 0.000 0.208 452 D C 2.107 178.352 176.300 -0.091 0.000 0.966 452 D CA 1.465 55.428 54.000 -0.061 0.000 0.864 452 D CB -0.315 40.444 40.800 -0.067 0.000 0.933 452 D HN 0.285 nan 8.370 nan 0.000 0.499 453 T N -1.137 113.345 114.554 -0.120 0.000 2.897 453 T HA -0.114 4.241 4.350 0.007 0.000 0.271 453 T C 1.923 176.563 174.700 -0.100 0.000 1.084 453 T CA 0.689 62.681 62.100 -0.179 0.000 1.123 453 T CB -0.301 68.423 68.868 -0.239 0.000 0.865 453 T HN 0.175 nan 8.240 nan 0.000 0.496 454 L N -0.711 120.465 121.223 -0.078 0.000 2.607 454 L HA 0.349 4.694 4.340 0.007 0.000 0.228 454 L C 2.162 178.990 176.870 -0.070 0.000 1.123 454 L CA 0.254 55.038 54.840 -0.093 0.000 0.890 454 L CB 0.020 41.953 42.059 -0.209 0.000 1.103 454 L HN 0.173 nan 8.230 nan 0.000 0.468 455 K N 0.018 120.384 120.400 -0.057 0.000 2.358 455 K HA 0.107 4.432 4.320 0.007 0.000 0.197 455 K C 0.585 177.165 176.600 -0.032 0.000 1.025 455 K CA -0.110 56.155 56.287 -0.036 0.000 1.104 455 K CB 0.746 33.229 32.500 -0.029 0.000 0.855 455 K HN 0.142 nan 8.250 nan 0.000 0.531 456 V N 0.605 120.492 119.914 -0.046 0.000 3.237 456 V HA 0.062 4.186 4.120 0.007 0.000 0.305 456 V C 0.497 176.580 176.094 -0.019 0.000 1.096 456 V CA -0.168 62.106 62.300 -0.042 0.000 1.130 456 V CB 0.995 32.778 31.823 -0.067 0.000 1.048 456 V HN 0.335 nan 8.190 nan 0.000 0.484 457 K N 0.796 121.189 120.400 -0.012 0.000 2.506 457 K HA 0.510 4.835 4.320 0.007 0.000 0.204 457 K C 0.096 176.701 176.600 0.009 0.000 1.045 457 K CA 0.207 56.498 56.287 0.005 0.000 1.074 457 K CB 0.693 33.196 32.500 0.006 0.000 0.842 457 K HN 0.749 nan 8.250 nan 0.000 0.514 458 S N 0.159 115.858 115.700 -0.002 0.000 2.535 458 S HA 0.162 4.637 4.470 0.007 0.000 0.272 458 S C -0.060 174.535 174.600 -0.007 0.000 1.149 458 S CA -0.569 57.633 58.200 0.002 0.000 0.888 458 S CB 1.765 64.964 63.200 -0.002 0.000 1.110 458 S HN 0.151 nan 8.310 nan 0.000 0.463 459 E N 2.061 122.265 120.200 0.008 0.000 2.204 459 E HA -0.072 4.283 4.350 0.007 0.000 0.194 459 E C 1.444 178.043 176.600 -0.002 0.000 0.989 459 E CA 0.835 57.242 56.400 0.012 0.000 0.824 459 E CB -0.049 29.672 29.700 0.035 0.000 0.756 459 E HN 0.561 nan 8.360 nan 0.000 0.477 460 K N 1.621 122.019 120.400 -0.003 0.000 2.025 460 K HA -0.130 4.195 4.320 0.007 0.000 0.207 460 K C 1.759 178.339 176.600 -0.033 0.000 1.049 460 K CA 1.397 57.679 56.287 -0.008 0.000 0.933 460 K CB -0.079 32.419 32.500 -0.003 0.000 0.714 460 K HN 0.072 nan 8.250 nan 0.000 0.438 461 E N -0.432 119.742 120.200 -0.044 0.000 2.153 461 E HA -0.224 4.130 4.350 0.007 0.000 0.194 461 E C 2.075 178.598 176.600 -0.130 0.000 0.988 461 E CA 1.067 57.426 56.400 -0.068 0.000 0.811 461 E CB -0.096 29.569 29.700 -0.057 0.000 0.746 461 E HN 0.166 nan 8.360 nan 0.000 0.466 462 R N 1.244 121.653 120.500 -0.151 0.000 2.062 462 R HA -0.100 4.244 4.340 0.007 0.000 0.231 462 R C 2.170 178.225 176.300 -0.410 0.000 1.136 462 R CA 1.689 57.600 56.100 -0.315 0.000 0.948 462 R CB -0.612 29.569 30.300 -0.198 0.000 0.845 462 R HN 0.126 nan 8.270 nan 0.000 0.430 463 A N 0.645 123.390 122.820 -0.124 0.000 1.940 463 A HA -0.226 4.098 4.320 0.007 0.000 0.219 463 A C 2.049 179.628 177.584 -0.008 0.000 1.176 463 A CA 2.010 54.068 52.037 0.035 0.000 0.631 463 A CB -0.874 18.160 19.000 0.057 0.000 0.814 463 A HN 0.602 nan 8.150 nan 0.000 0.446 464 D N -0.091 120.271 120.400 -0.063 0.000 2.144 464 D HA -0.085 4.560 4.640 0.007 0.000 0.200 464 D C 1.911 178.169 176.300 -0.071 0.000 0.978 464 D CA 1.019 54.991 54.000 -0.047 0.000 0.833 464 D CB -0.102 40.670 40.800 -0.047 0.000 0.961 464 D HN 0.468 nan 8.370 nan 0.000 0.470 465 L N -0.169 120.956 121.223 -0.163 0.000 2.093 465 L HA -0.187 4.157 4.340 0.007 0.000 0.208 465 L C 2.505 179.300 176.870 -0.125 0.000 1.085 465 L CA 0.727 55.456 54.840 -0.185 0.000 0.755 465 L CB -0.488 41.400 42.059 -0.285 0.000 0.904 465 L HN 0.076 nan 8.230 nan 0.000 0.435 466 Y N -0.029 120.240 120.300 -0.051 0.000 2.181 466 Y HA -0.291 4.264 4.550 0.007 0.000 0.288 466 Y C 2.779 178.663 175.900 -0.027 0.000 1.146 466 Y CA 1.316 59.384 58.100 -0.053 0.000 1.164 466 Y CB -0.785 37.639 38.460 -0.059 0.000 0.982 466 Y HN 0.199 nan 8.280 nan 0.000 0.515 467 Q N 0.649 120.524 119.800 0.125 0.000 2.050 467 Q HA -0.213 4.132 4.340 0.007 0.000 0.202 467 Q C 2.005 178.044 176.000 0.065 0.000 0.980 467 Q CA 2.025 57.873 55.803 0.075 0.000 0.840 467 Q CB -0.345 28.416 28.738 0.038 0.000 0.898 467 Q HN 0.553 nan 8.270 nan 0.000 0.424 468 Q N -0.609 119.215 119.800 0.039 0.000 2.135 468 Q HA -0.139 4.205 4.340 0.007 0.000 0.204 468 Q C 2.054 178.096 176.000 0.071 0.000 0.981 468 Q CA 1.378 57.203 55.803 0.037 0.000 0.856 468 Q CB -0.304 28.435 28.738 0.003 0.000 0.902 468 Q HN 0.529 nan 8.270 nan 0.000 0.425 469 A N 1.270 124.128 122.820 0.063 0.000 1.877 469 A HA -0.214 4.110 4.320 0.007 0.000 0.216 469 A C 1.969 179.723 177.584 0.283 0.000 1.186 469 A CA 1.304 53.401 52.037 0.100 0.000 0.620 469 A CB -0.345 18.636 19.000 -0.032 0.000 0.822 469 A HN 0.203 nan 8.150 nan 0.000 0.443 470 E N -0.059 120.264 120.200 0.206 0.000 2.085 470 E HA -0.166 4.189 4.350 0.007 0.000 0.194 470 E C 2.058 178.746 176.600 0.147 0.000 0.994 470 E CA 1.024 57.530 56.400 0.178 0.000 0.801 470 E CB -0.378 29.394 29.700 0.120 0.000 0.743 470 E HN 0.552 nan 8.360 nan 0.000 0.453 471 I N 1.139 121.782 120.570 0.122 0.000 2.208 471 I HA -0.270 3.905 4.170 0.007 0.000 0.245 471 I C 2.542 178.736 176.117 0.128 0.000 1.097 471 I CA 1.259 62.621 61.300 0.103 0.000 1.363 471 I CB -1.253 36.793 38.000 0.076 0.000 1.051 471 I HN 0.141 nan 8.210 nan 0.000 0.413 472 Q N 1.032 120.934 119.800 0.171 0.000 2.124 472 Q HA -0.125 4.219 4.340 0.007 0.000 0.202 472 Q C 2.244 178.348 176.000 0.175 0.000 0.977 472 Q CA 1.498 57.425 55.803 0.208 0.000 0.850 472 Q CB -0.364 28.558 28.738 0.306 0.000 0.901 472 Q HN 0.500 nan 8.270 nan 0.000 0.429 473 L N 0.031 121.330 121.223 0.128 0.000 2.056 473 L HA -0.174 4.170 4.340 0.007 0.000 0.207 473 L C 2.072 178.889 176.870 -0.088 0.000 1.078 473 L CA 1.623 56.386 54.840 -0.127 0.000 0.749 473 L CB -0.456 41.492 42.059 -0.184 0.000 0.901 473 L HN 0.318 nan 8.230 nan 0.000 0.433 474 D N 0.222 120.646 120.400 0.041 0.000 2.117 474 D HA -0.240 4.404 4.640 0.007 0.000 0.198 474 D C 2.163 178.527 176.300 0.106 0.000 0.982 474 D CA 1.261 55.331 54.000 0.117 0.000 0.828 474 D CB 0.075 40.999 40.800 0.208 0.000 0.967 474 D HN 0.040 nan 8.370 nan 0.000 0.464 475 K N -0.139 120.324 120.400 0.105 0.000 2.113 475 K HA -0.154 4.170 4.320 0.007 0.000 0.208 475 K C 0.795 177.442 176.600 0.078 0.000 1.047 475 K CA 1.705 58.053 56.287 0.102 0.000 0.928 475 K CB 0.050 32.615 32.500 0.108 0.000 0.716 475 K HN 0.162 nan 8.250 nan 0.000 0.446 476 D N -0.109 120.327 120.400 0.060 0.000 2.349 476 D HA 0.031 4.676 4.640 0.007 0.000 0.214 476 D C -0.313 175.979 176.300 -0.015 0.000 1.063 476 D CA 0.268 54.303 54.000 0.058 0.000 0.847 476 D CB 0.523 41.421 40.800 0.164 0.000 0.933 476 D HN 0.033 nan 8.370 nan 0.000 0.513 477 S N 0.488 116.158 115.700 -0.050 0.000 3.550 477 S HA -0.252 4.222 4.470 0.007 0.000 0.372 477 S C 1.461 175.972 174.600 -0.148 0.000 0.966 477 S CA 0.307 58.458 58.200 -0.081 0.000 1.229 477 S CB -1.229 61.937 63.200 -0.057 0.000 0.917 477 S HN 0.529 nan 8.310 nan 0.000 0.496 478 A N 0.331 122.961 122.820 -0.317 0.000 1.940 478 A HA 0.213 4.538 4.320 0.007 0.000 0.219 478 A C 1.021 178.420 177.584 -0.309 0.000 1.176 478 A CA 1.555 53.314 52.037 -0.462 0.000 0.631 478 A CB -0.465 17.849 19.000 -1.142 0.000 0.814 478 A HN 1.093 nan 8.150 nan 0.000 0.446 479 I N -5.966 114.442 120.570 -0.270 0.000 3.343 479 I HA 0.667 4.841 4.170 0.007 0.000 0.315 479 I C -1.076 175.043 176.117 0.003 0.000 1.153 479 I CA -1.269 59.956 61.300 -0.125 0.000 0.952 479 I CB 2.267 40.105 38.000 -0.271 0.000 1.287 479 I HN -0.265 nan 8.210 nan 0.000 0.472 480 V N 2.388 122.396 119.914 0.157 0.000 2.289 480 V HA 0.397 4.521 4.120 0.007 0.000 0.272 480 V C -2.416 173.830 176.094 0.254 0.000 1.026 480 V CA -1.478 60.960 62.300 0.230 0.000 0.807 480 V CB 0.621 32.684 31.823 0.400 0.000 1.044 480 V HN 0.587 nan 8.190 nan 0.000 0.443 481 P HA 0.142 nan 4.420 nan 0.000 0.267 481 P C 0.517 177.894 177.300 0.128 0.000 1.205 481 P CA 0.447 63.625 63.100 0.130 0.000 0.765 481 P CB 1.476 33.225 31.700 0.083 0.000 0.828 482 V N 3.385 123.323 119.914 0.041 0.000 2.870 482 V HA 0.312 4.437 4.120 0.007 0.000 0.232 482 V C 0.290 176.400 176.094 0.027 0.000 1.161 482 V CA 1.011 63.347 62.300 0.061 0.000 1.204 482 V CB -0.465 31.388 31.823 0.050 0.000 1.003 482 V HN 0.548 nan 8.190 nan 0.000 0.499 483 F N -2.012 117.843 119.950 -0.158 0.000 2.693 483 F HA 0.728 5.259 4.527 0.007 0.000 0.309 483 F C -1.676 173.963 175.800 -0.267 0.000 1.129 483 F CA -2.022 55.798 58.000 -0.299 0.000 0.948 483 F CB 0.706 39.568 39.000 -0.231 0.000 1.315 483 F HN -0.055 nan 8.300 nan 0.000 0.447 484 Y N 1.909 122.419 120.300 0.350 0.000 2.327 484 Y HA 0.459 5.013 4.550 0.007 0.000 0.336 484 Y C -0.213 176.003 175.900 0.527 0.000 1.035 484 Y CA -0.977 57.316 58.100 0.321 0.000 1.165 484 Y CB 0.282 38.890 38.460 0.247 0.000 1.181 484 Y HN 0.550 nan 8.280 nan 0.000 0.494 485 Y N 1.684 122.316 120.300 0.554 0.000 2.385 485 Y HA 0.369 4.924 4.550 0.008 0.000 0.346 485 Y C 0.424 176.571 175.900 0.412 0.000 1.270 485 Y CA -0.380 58.037 58.100 0.528 0.000 1.472 485 Y CB 0.679 39.413 38.460 0.456 0.000 1.354 485 Y HN 0.385 nan 8.280 nan 0.000 0.611 486 V N -0.926 119.301 119.914 0.521 0.000 2.735 486 V HA 0.564 4.688 4.120 0.007 0.000 0.310 486 V C -0.437 175.877 176.094 0.366 0.000 1.061 486 V CA -1.075 61.422 62.300 0.329 0.000 0.913 486 V CB 1.692 33.590 31.823 0.125 0.000 1.005 486 V HN 0.652 nan 8.190 nan 0.000 0.428 487 S N 3.057 118.884 115.700 0.211 0.000 2.411 487 S HA 0.747 5.221 4.470 0.007 0.000 0.294 487 S C 0.109 174.715 174.600 0.009 0.000 1.115 487 S CA 0.195 58.377 58.200 -0.030 0.000 1.071 487 S CB -0.054 62.902 63.200 -0.408 0.000 0.967 487 S HN 1.774 nan 8.310 nan 0.000 0.488 488 A N 5.770 128.600 122.820 0.016 0.000 2.287 488 A HA 0.838 5.163 4.320 0.007 0.000 0.317 488 A C -0.064 177.497 177.584 -0.038 0.000 1.220 488 A CA -0.938 51.128 52.037 0.048 0.000 0.835 488 A CB 0.610 19.684 19.000 0.123 0.000 1.180 488 A HN 0.980 nan 8.150 nan 0.000 0.500 489 R N 1.623 122.083 120.500 -0.067 0.000 2.734 489 R HA 0.730 5.075 4.340 0.007 0.000 0.271 489 R C -1.958 174.222 176.300 -0.200 0.000 1.021 489 R CA -0.933 55.060 56.100 -0.178 0.000 0.893 489 R CB 0.971 31.098 30.300 -0.288 0.000 1.244 489 R HN 0.422 nan 8.270 nan 0.000 0.464 490 L N 1.692 122.705 121.223 -0.351 0.000 2.295 490 L HA 0.663 5.008 4.340 0.007 0.000 0.285 490 L C -0.760 175.879 176.870 -0.385 0.000 1.035 490 L CA -1.306 53.238 54.840 -0.494 0.000 0.806 490 L CB 1.959 43.324 42.059 -1.157 0.000 1.214 490 L HN 0.359 nan 8.230 nan 0.000 0.426 491 V N 3.097 122.919 119.914 -0.153 0.000 2.525 491 V HA 0.336 4.461 4.120 0.007 0.000 0.299 491 V C 0.006 176.102 176.094 0.004 0.000 1.034 491 V CA -1.141 61.076 62.300 -0.138 0.000 0.863 491 V CB 1.855 33.435 31.823 -0.405 0.000 0.999 491 V HN 0.589 nan 8.190 nan 0.000 0.423 492 K N 4.801 125.148 120.400 -0.089 0.000 2.414 492 K HA 0.169 4.493 4.320 0.007 0.000 0.272 492 K C -1.638 174.734 176.600 -0.378 0.000 0.993 492 K CA -1.543 54.517 56.287 -0.377 0.000 0.964 492 K CB 1.008 32.880 32.500 -1.047 0.000 0.925 492 K HN 0.295 nan 8.250 nan 0.000 0.487 493 P HA -0.139 nan 4.420 nan 0.000 0.218 493 P C 0.727 177.983 177.300 -0.073 0.000 1.148 493 P CA 1.303 64.338 63.100 -0.108 0.000 0.822 493 P CB -0.085 31.596 31.700 -0.032 0.000 0.784 494 Y N -2.649 117.646 120.300 -0.008 0.000 2.529 494 Y HA 0.299 4.854 4.550 0.008 0.000 0.290 494 Y C 0.187 176.060 175.900 -0.046 0.000 1.177 494 Y CA -0.802 57.290 58.100 -0.012 0.000 1.305 494 Y CB -1.214 37.237 38.460 -0.015 0.000 1.047 494 Y HN -0.328 nan 8.280 nan 0.000 0.522 495 V N 2.140 121.993 119.914 -0.100 0.000 2.350 495 V HA 0.682 4.807 4.120 0.007 0.000 0.276 495 V C 0.659 176.610 176.094 -0.238 0.000 1.028 495 V CA -0.395 61.830 62.300 -0.125 0.000 0.860 495 V CB 0.669 32.378 31.823 -0.189 0.000 0.990 495 V HN 0.515 nan 8.190 nan 0.000 0.453 496 G N 2.280 110.772 108.800 -0.515 0.000 2.454 496 G HA2 0.619 4.584 3.960 0.007 0.000 0.329 496 G HA3 0.619 4.584 3.960 0.007 0.000 0.329 496 G C 0.667 175.012 174.900 -0.925 0.000 1.177 496 G CA 0.052 44.660 45.100 -0.821 0.000 0.951 496 G HN 1.335 nan 8.290 nan 0.000 0.485 497 G N -1.159 107.394 108.800 -0.412 0.000 2.278 497 G HA2 -0.230 3.735 3.960 0.007 0.000 0.210 497 G HA3 -0.230 3.735 3.960 0.007 0.000 0.210 497 G C 0.223 175.115 174.900 -0.013 0.000 1.000 497 G CA 0.288 45.328 45.100 -0.101 0.000 0.635 497 G HN 1.168 nan 8.290 nan 0.000 0.495 498 Y N 3.209 123.416 120.300 -0.155 0.000 2.436 498 Y HA 0.457 5.011 4.550 0.007 0.000 0.336 498 Y C 1.756 177.599 175.900 -0.095 0.000 1.049 498 Y CA 1.101 59.117 58.100 -0.140 0.000 1.294 498 Y CB 1.389 39.706 38.460 -0.237 0.000 1.179 498 Y HN 0.270 nan 8.280 nan 0.000 0.520 499 T N 0.857 115.019 114.554 -0.653 0.000 3.023 499 T HA 0.209 4.563 4.350 0.007 0.000 0.249 499 T C 1.498 175.848 174.700 -0.583 0.000 1.050 499 T CA 0.484 62.319 62.100 -0.442 0.000 1.088 499 T CB -0.372 68.364 68.868 -0.220 0.000 0.946 499 T HN 1.298 nan 8.240 nan 0.000 0.480 500 G N 1.834 109.997 108.800 -1.062 0.000 2.153 500 G HA2 -0.243 3.722 3.960 0.007 0.000 0.252 500 G HA3 -0.243 3.722 3.960 0.007 0.000 0.252 500 G C 0.803 175.577 174.900 -0.210 0.000 0.994 500 G CA 0.496 45.244 45.100 -0.586 0.000 0.698 500 G HN 0.512 nan 8.290 nan 0.000 0.521 501 K N 0.139 120.424 120.400 -0.192 0.000 2.358 501 K HA 0.139 4.464 4.320 0.007 0.000 0.197 501 K C 0.329 176.919 176.600 -0.017 0.000 1.025 501 K CA 0.000 56.246 56.287 -0.068 0.000 1.104 501 K CB 0.511 32.980 32.500 -0.052 0.000 0.855 501 K HN 0.437 nan 8.250 nan 0.000 0.531 502 D N 1.947 122.330 120.400 -0.028 0.000 2.380 502 D HA 0.128 4.772 4.640 0.007 0.000 0.230 502 D C -1.900 174.456 176.300 0.092 0.000 1.154 502 D CA -2.316 51.708 54.000 0.040 0.000 0.859 502 D CB 1.673 42.498 40.800 0.043 0.000 1.045 502 D HN -0.162 nan 8.370 nan 0.000 0.495 503 P HA -0.082 nan 4.420 nan 0.000 0.218 503 P C 1.152 178.613 177.300 0.269 0.000 1.146 503 P CA 0.910 64.130 63.100 0.199 0.000 0.813 503 P CB 0.270 32.071 31.700 0.169 0.000 0.778 504 L N -2.001 119.346 121.223 0.207 0.000 2.554 504 L HA 0.115 4.460 4.340 0.007 0.000 0.225 504 L C 0.447 177.478 176.870 0.267 0.000 1.104 504 L CA 0.206 55.178 54.840 0.220 0.000 0.866 504 L CB -0.874 41.263 42.059 0.130 0.000 1.047 504 L HN 0.018 nan 8.230 nan 0.000 0.468 505 D N 1.099 121.598 120.400 0.165 0.000 2.689 505 D HA -0.220 4.424 4.640 0.007 0.000 0.237 505 D C -0.068 176.262 176.300 0.050 0.000 1.148 505 D CA 0.233 54.264 54.000 0.052 0.000 0.656 505 D CB -0.734 39.955 40.800 -0.184 0.000 1.050 505 D HN 0.141 nan 8.370 nan 0.000 0.426 506 N N 1.224 119.966 118.700 0.069 0.000 3.229 506 N HA 0.194 4.938 4.740 0.007 0.000 0.275 506 N C 0.029 175.555 175.510 0.026 0.000 1.225 506 N CA -0.208 52.855 53.050 0.022 0.000 1.119 506 N CB 0.320 38.839 38.487 0.053 0.000 1.392 506 N HN 0.535 nan 8.380 nan 0.000 0.520 507 M N 1.038 120.645 119.600 0.011 0.000 2.238 507 M HA 0.058 4.543 4.480 0.007 0.000 0.347 507 M C -0.673 175.598 176.300 -0.048 0.000 1.173 507 M CA 0.270 55.607 55.300 0.060 0.000 1.147 507 M CB 0.320 32.967 32.600 0.078 0.000 1.547 507 M HN 0.352 nan 8.290 nan 0.000 0.455 508 H N 2.741 121.843 119.070 0.054 0.000 2.505 508 H HA 0.265 4.825 4.556 0.007 0.000 0.338 508 H C 0.690 176.050 175.328 0.054 0.000 1.057 508 H CA -0.669 55.412 56.048 0.054 0.000 1.202 508 H CB 1.606 31.409 29.762 0.067 0.000 1.466 508 H HN 0.529 nan 8.280 nan 0.000 0.499 509 V N 3.583 123.561 119.914 0.106 0.000 2.720 509 V HA -0.247 3.877 4.120 0.007 0.000 0.256 509 V C 2.164 178.375 176.094 0.195 0.000 1.082 509 V CA 2.057 64.370 62.300 0.021 0.000 1.101 509 V CB -0.518 31.122 31.823 -0.304 0.000 0.693 509 V HN 0.768 nan 8.190 nan 0.000 0.479 510 K N -0.102 120.498 120.400 0.333 0.000 2.442 510 K HA -0.150 4.174 4.320 0.007 0.000 0.198 510 K C 0.902 177.611 176.600 0.183 0.000 1.042 510 K CA 1.674 58.127 56.287 0.276 0.000 0.958 510 K CB -0.152 32.432 32.500 0.140 0.000 0.766 510 K HN 0.384 nan 8.250 nan 0.000 0.474 511 D N 0.792 121.299 120.400 0.179 0.000 2.349 511 D HA 0.142 4.786 4.640 0.007 0.000 0.214 511 D C 0.600 177.009 176.300 0.183 0.000 1.063 511 D CA 0.131 54.228 54.000 0.163 0.000 0.847 511 D CB 0.315 41.199 40.800 0.140 0.000 0.933 511 D HN 0.200 nan 8.370 nan 0.000 0.513 512 L N 0.363 121.674 121.223 0.145 0.000 2.448 512 L HA 0.423 4.768 4.340 0.007 0.000 0.258 512 L C -0.531 176.443 176.870 0.173 0.000 1.104 512 L CA -1.032 53.839 54.840 0.052 0.000 0.800 512 L CB 0.752 42.798 42.059 -0.021 0.000 1.241 512 L HN -0.011 nan 8.230 nan 0.000 0.472 513 Y N -1.455 118.881 120.300 0.060 0.000 2.573 513 Y HA 0.497 5.052 4.550 0.008 0.000 0.328 513 Y C -1.338 174.605 175.900 0.071 0.000 1.170 513 Y CA -1.419 56.717 58.100 0.059 0.000 1.078 513 Y CB 0.529 39.020 38.460 0.052 0.000 1.341 513 Y HN 0.129 nan 8.280 nan 0.000 0.459 514 I N 4.335 125.048 120.570 0.237 0.000 2.312 514 I HA 0.237 4.411 4.170 0.007 0.000 0.291 514 I C -0.113 176.143 176.117 0.232 0.000 1.031 514 I CA -0.683 60.729 61.300 0.186 0.000 1.293 514 I CB 0.546 38.598 38.000 0.087 0.000 1.403 514 I HN 0.529 nan 8.210 nan 0.000 0.484 515 I N 6.268 126.987 120.570 0.248 0.000 2.588 515 I HA 0.076 4.250 4.170 0.007 0.000 0.283 515 I C 1.088 177.277 176.117 0.119 0.000 1.119 515 I CA 0.023 61.455 61.300 0.219 0.000 1.419 515 I CB -0.009 38.122 38.000 0.218 0.000 1.394 515 I HN 0.466 nan 8.210 nan 0.000 0.562 516 K N 5.398 125.844 120.400 0.076 0.000 2.397 516 K HA 0.006 4.331 4.320 0.007 0.000 0.265 516 K C 0.246 176.865 176.600 0.031 0.000 0.982 516 K CA -0.018 56.286 56.287 0.028 0.000 0.931 516 K CB 0.349 32.862 32.500 0.021 0.000 0.943 516 K HN 0.614 nan 8.250 nan 0.000 0.501 517 Q N 0.000 119.801 119.800 0.001 0.000 2.315 517 Q HA 0.000 4.344 4.340 0.007 0.000 0.214 517 Q CA 0.000 55.811 55.803 0.014 0.000 1.022 517 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 517 Q HN 0.000 nan 8.270 nan 0.000 0.481