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 2e37_1_C DATA FIRST_RESID 2 DATA SEQUENCE KVGIVGSGXV GSATAYALAL LGVAREVVLV DLDRKLAQAH AEDILHATPF DATA SEQUENCE AHPVWVRAGS YGDLEGARAV VLAAGVAQRP GETRLQLLDR NAQVFAQVVP DATA SEQUENCE RVLEAAPEAV LLVATNPVDV XTQVAYRLSG LPPGRVVGSG TILDTARFRA DATA SEQUENCE LLAEYLRVAP QSVHAYVLGE HGDSEVLVWS SAQVGGVPLL EFAEARGRAL DATA SEQUENCE SPEDRARIDE GVRRAAYRII EGKGATYYGI GAGLARLVRA ILTDEKGVYT DATA SEQUENCE VSAFTPEVEG VLEVSLSLPR ILGAGGVEGT VYPSLSPEER EALRRSAEIL DATA SEQUENCE KEAAFALGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.592 176.600 -0.013 0.000 0.988 2 K CA 0.000 56.291 56.287 0.006 0.000 0.838 2 K CB 0.000 32.505 32.500 0.008 0.000 1.064 3 V N 2.273 122.170 119.914 -0.029 0.000 2.531 3 V HA 0.702 4.822 4.120 -0.000 0.000 0.301 3 V C 0.232 176.294 176.094 -0.053 0.000 1.034 3 V CA -0.413 61.865 62.300 -0.037 0.000 0.865 3 V CB 1.717 33.519 31.823 -0.035 0.000 0.995 3 V HN 0.848 nan 8.190 nan 0.000 0.424 4 G N 3.939 112.710 108.800 -0.049 0.000 2.371 4 G HA2 0.772 4.732 3.960 -0.000 0.000 0.326 4 G HA3 0.772 4.732 3.960 -0.000 0.000 0.326 4 G C -0.986 173.879 174.900 -0.058 0.000 1.127 4 G CA -0.499 44.565 45.100 -0.060 0.000 0.885 4 G HN 0.622 nan 8.290 nan 0.000 0.477 5 I N 2.108 122.635 120.570 -0.071 0.000 2.493 5 I HA 0.185 4.355 4.170 -0.000 0.000 0.279 5 I C -0.314 175.755 176.117 -0.079 0.000 1.045 5 I CA -0.855 60.405 61.300 -0.067 0.000 1.106 5 I CB 2.110 40.071 38.000 -0.065 0.000 1.216 5 I HN 0.286 nan 8.210 nan 0.000 0.459 6 V N 6.802 126.676 119.914 -0.068 0.000 2.385 6 V HA 0.873 4.993 4.120 -0.000 0.000 0.269 6 V C 0.361 176.422 176.094 -0.056 0.000 1.043 6 V CA 0.340 62.597 62.300 -0.073 0.000 0.906 6 V CB 0.667 32.479 31.823 -0.020 0.000 0.995 6 V HN 0.979 nan 8.190 nan 0.000 0.467 7 G N 4.240 113.004 108.800 -0.060 0.000 2.768 7 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.666 7 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.666 7 G C -0.069 174.796 174.900 -0.058 0.000 1.162 7 G CA -0.146 44.931 45.100 -0.038 0.000 1.226 7 G HN 1.023 nan 8.290 nan 0.000 0.535 8 S N 0.966 116.633 115.700 -0.056 0.000 2.815 8 S HA 0.460 4.930 4.470 -0.000 0.000 0.254 8 S C 1.506 176.046 174.600 -0.099 0.000 1.197 8 S CA 0.312 58.467 58.200 -0.076 0.000 1.216 8 S CB 0.183 63.389 63.200 0.010 0.000 0.871 8 S HN 1.245 nan 8.310 nan 0.000 0.473 12 G N 1.322 110.069 108.800 -0.090 0.000 2.446 12 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 12 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 12 G C 1.741 176.555 174.900 -0.142 0.000 1.168 12 G CA 2.053 47.094 45.100 -0.098 0.000 0.771 12 G HN 0.779 nan 8.290 nan 0.000 0.551 13 S N 1.102 116.632 115.700 -0.283 0.000 2.387 13 S HA 0.236 4.706 4.470 -0.000 0.000 0.226 13 S C 2.615 177.138 174.600 -0.128 0.000 1.026 13 S CA 1.349 59.337 58.200 -0.355 0.000 0.972 13 S CB -0.429 62.166 63.200 -1.008 0.000 0.814 13 S HN 0.597 nan 8.310 nan 0.000 0.477 14 A N 1.922 124.698 122.820 -0.072 0.000 1.902 14 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 14 A C 2.403 180.086 177.584 0.164 0.000 1.181 14 A CA 2.120 54.239 52.037 0.136 0.000 0.623 14 A CB -1.710 17.415 19.000 0.207 0.000 0.818 14 A HN 0.554 nan 8.150 nan 0.000 0.443 15 T N 0.251 114.850 114.554 0.075 0.000 2.746 15 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 15 T C 2.208 176.944 174.700 0.061 0.000 1.039 15 T CA 1.624 63.758 62.100 0.058 0.000 1.142 15 T CB -0.432 68.444 68.868 0.013 0.000 0.866 15 T HN 0.610 nan 8.240 nan 0.000 0.444 16 A N 0.354 123.204 122.820 0.049 0.000 1.933 16 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 16 A C 2.104 179.778 177.584 0.149 0.000 1.175 16 A CA 1.372 53.445 52.037 0.059 0.000 0.628 16 A CB -0.939 18.075 19.000 0.023 0.000 0.814 16 A HN 0.545 nan 8.150 nan 0.000 0.444 17 Y N 0.604 120.925 120.300 0.035 0.000 2.200 17 Y HA -0.055 4.495 4.550 -0.000 0.000 0.290 17 Y C 2.667 178.610 175.900 0.072 0.000 1.137 17 Y CA 0.875 59.019 58.100 0.073 0.000 1.163 17 Y CB -0.632 37.892 38.460 0.106 0.000 0.988 17 Y HN 0.305 nan 8.280 nan 0.000 0.518 18 A N -0.078 122.812 122.820 0.118 0.000 1.930 18 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 18 A C 2.347 179.918 177.584 -0.022 0.000 1.175 18 A CA 1.589 53.630 52.037 0.006 0.000 0.627 18 A CB -1.062 17.972 19.000 0.057 0.000 0.815 18 A HN 0.512 nan 8.150 nan 0.000 0.443 19 L N -0.804 120.423 121.223 0.007 0.000 2.017 19 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 19 L C 3.130 179.987 176.870 -0.021 0.000 1.073 19 L CA 1.165 55.996 54.840 -0.014 0.000 0.745 19 L CB -0.569 41.488 42.059 -0.004 0.000 0.894 19 L HN 0.455 nan 8.230 nan 0.000 0.432 20 A N 0.125 122.950 122.820 0.009 0.000 1.855 20 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 20 A C 2.184 179.781 177.584 0.020 0.000 1.191 20 A CA 1.316 53.373 52.037 0.033 0.000 0.613 20 A CB -0.767 18.287 19.000 0.089 0.000 0.829 20 A HN 0.356 nan 8.150 nan 0.000 0.442 21 L N -0.780 120.399 121.223 -0.074 0.000 2.265 21 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 21 L C 1.915 178.820 176.870 0.059 0.000 1.117 21 L CA 0.754 55.565 54.840 -0.048 0.000 0.782 21 L CB -0.411 41.491 42.059 -0.261 0.000 0.914 21 L HN 0.362 nan 8.230 nan 0.000 0.441 22 L N -0.725 120.469 121.223 -0.047 0.000 2.585 22 L HA 0.219 4.559 4.340 -0.000 0.000 0.226 22 L C 1.339 177.987 176.870 -0.369 0.000 1.113 22 L CA 0.232 55.003 54.840 -0.116 0.000 0.876 22 L CB -0.164 41.846 42.059 -0.082 0.000 1.072 22 L HN 0.374 nan 8.230 nan 0.000 0.468 23 G N 0.541 109.105 108.800 -0.393 0.000 2.305 23 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 23 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 23 G C 0.746 175.488 174.900 -0.263 0.000 1.036 23 G CA 0.469 45.276 45.100 -0.488 0.000 0.887 23 G HN 0.154 nan 8.290 nan 0.000 0.505 24 V N -0.587 119.235 119.914 -0.153 0.000 2.307 24 V HA 0.281 4.401 4.120 -0.000 0.000 0.245 24 V C 1.934 177.992 176.094 -0.061 0.000 1.045 24 V CA 2.537 64.780 62.300 -0.094 0.000 1.024 24 V CB -0.530 31.253 31.823 -0.067 0.000 0.651 24 V HN 1.381 nan 8.190 nan 0.000 0.449 25 A N -1.049 121.747 122.820 -0.041 0.000 2.386 25 A HA 0.654 4.974 4.320 -0.000 0.000 0.308 25 A C 0.781 178.373 177.584 0.013 0.000 1.128 25 A CA -0.632 51.398 52.037 -0.013 0.000 0.789 25 A CB 1.266 20.259 19.000 -0.010 0.000 1.325 25 A HN 0.183 nan 8.150 nan 0.000 0.437 26 R N -0.325 120.199 120.500 0.040 0.000 2.189 26 R HA 0.140 4.480 4.340 -0.000 0.000 0.203 26 R C 0.058 176.441 176.300 0.138 0.000 1.012 26 R CA 0.718 56.868 56.100 0.084 0.000 1.015 26 R CB 0.435 30.785 30.300 0.083 0.000 0.938 26 R HN 0.767 nan 8.270 nan 0.000 0.472 27 E N 0.911 121.170 120.200 0.098 0.000 2.246 27 E HA 0.287 4.637 4.350 -0.000 0.000 0.266 27 E C -1.624 174.954 176.600 -0.038 0.000 0.880 27 E CA -0.479 55.966 56.400 0.074 0.000 0.762 27 E CB 2.176 31.949 29.700 0.122 0.000 1.180 27 E HN -0.188 nan 8.360 nan 0.000 0.416 28 V N 4.724 124.569 119.914 -0.115 0.000 2.409 28 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 28 V C -0.425 175.543 176.094 -0.210 0.000 1.017 28 V CA -0.809 61.418 62.300 -0.122 0.000 0.841 28 V CB 1.598 33.381 31.823 -0.067 0.000 1.003 28 V HN 0.467 nan 8.190 nan 0.000 0.426 29 V N 6.618 126.420 119.914 -0.186 0.000 2.370 29 V HA 0.456 4.576 4.120 -0.000 0.000 0.283 29 V C -0.077 175.925 176.094 -0.153 0.000 1.023 29 V CA -0.446 61.728 62.300 -0.210 0.000 0.857 29 V CB 1.614 33.319 31.823 -0.198 0.000 0.985 29 V HN 0.643 nan 8.190 nan 0.000 0.443 30 L N 5.730 126.863 121.223 -0.150 0.000 2.275 30 L HA 0.603 4.942 4.340 -0.000 0.000 0.288 30 L C -0.541 176.244 176.870 -0.143 0.000 1.046 30 L CA -0.488 54.280 54.840 -0.120 0.000 0.805 30 L CB 1.721 43.730 42.059 -0.085 0.000 1.193 30 L HN 0.366 nan 8.230 nan 0.000 0.426 31 V N 2.788 122.605 119.914 -0.162 0.000 2.487 31 V HA 0.519 4.639 4.120 -0.000 0.000 0.298 31 V C -0.602 175.377 176.094 -0.192 0.000 1.028 31 V CA -0.559 61.599 62.300 -0.237 0.000 0.860 31 V CB 1.997 33.583 31.823 -0.394 0.000 0.991 31 V HN 0.724 nan 8.190 nan 0.000 0.427 32 D N 2.523 122.820 120.400 -0.171 0.000 2.736 32 D HA 0.334 4.974 4.640 -0.000 0.000 0.223 32 D C 0.631 176.877 176.300 -0.089 0.000 1.231 32 D CA -0.599 53.339 54.000 -0.105 0.000 0.818 32 D CB 2.888 43.654 40.800 -0.057 0.000 1.587 32 D HN 0.331 nan 8.370 nan 0.000 0.463 33 L N 0.666 121.861 121.223 -0.047 0.000 2.079 33 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 33 L C 1.045 177.899 176.870 -0.026 0.000 1.081 33 L CA 1.177 56.003 54.840 -0.024 0.000 0.752 33 L CB -0.009 42.053 42.059 0.004 0.000 0.896 33 L HN 0.380 nan 8.230 nan 0.000 0.433 34 D N 0.059 120.444 120.400 -0.025 0.000 2.508 34 D HA -0.009 4.631 4.640 -0.000 0.000 0.224 34 D C 1.285 177.566 176.300 -0.033 0.000 1.171 34 D CA -0.069 53.917 54.000 -0.024 0.000 1.006 34 D CB 0.512 41.301 40.800 -0.018 0.000 1.073 34 D HN -0.025 nan 8.370 nan 0.000 0.513 35 R N 2.313 122.790 120.500 -0.038 0.000 2.134 35 R HA -0.200 4.140 4.340 -0.000 0.000 0.248 35 R C 1.646 177.924 176.300 -0.038 0.000 1.143 35 R CA 1.256 57.330 56.100 -0.044 0.000 0.957 35 R CB -0.233 30.044 30.300 -0.039 0.000 0.867 35 R HN 0.456 nan 8.270 nan 0.000 0.441 36 K N 0.323 120.703 120.400 -0.034 0.000 2.209 36 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 36 K C 2.052 178.623 176.600 -0.050 0.000 1.048 36 K CA 0.725 56.989 56.287 -0.038 0.000 0.940 36 K CB -0.222 32.256 32.500 -0.037 0.000 0.729 36 K HN 0.001 nan 8.250 nan 0.000 0.451 37 L N 0.969 122.166 121.223 -0.043 0.000 2.027 37 L HA -0.098 4.242 4.340 -0.000 0.000 0.206 37 L C 2.182 179.050 176.870 -0.003 0.000 1.074 37 L CA 1.742 56.556 54.840 -0.044 0.000 0.745 37 L CB -0.647 41.407 42.059 -0.010 0.000 0.898 37 L HN 0.097 nan 8.230 nan 0.000 0.433 38 A N -0.988 121.836 122.820 0.007 0.000 1.877 38 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 38 A C 2.166 179.754 177.584 0.007 0.000 1.186 38 A CA 1.812 53.860 52.037 0.018 0.000 0.620 38 A CB -0.654 18.324 19.000 -0.036 0.000 0.822 38 A HN 0.654 nan 8.150 nan 0.000 0.443 39 Q N -0.548 119.239 119.800 -0.020 0.000 2.170 39 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 39 Q C 2.330 178.320 176.000 -0.016 0.000 0.976 39 Q CA 1.340 57.133 55.803 -0.017 0.000 0.858 39 Q CB -0.399 28.328 28.738 -0.019 0.000 0.907 39 Q HN 0.696 nan 8.270 nan 0.000 0.433 40 A N 0.293 123.081 122.820 -0.054 0.000 1.897 40 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 40 A C 1.510 179.024 177.584 -0.117 0.000 1.181 40 A CA 1.476 53.448 52.037 -0.109 0.000 0.620 40 A CB -0.629 18.260 19.000 -0.186 0.000 0.821 40 A HN 0.374 nan 8.150 nan 0.000 0.443 41 H N -0.736 118.307 119.070 -0.045 0.000 2.357 41 H HA 0.094 4.650 4.556 -0.000 0.000 0.301 41 H C 2.484 177.803 175.328 -0.015 0.000 1.082 41 H CA 1.167 57.187 56.048 -0.047 0.000 1.342 41 H CB 0.009 29.736 29.762 -0.059 0.000 1.389 41 H HN 0.526 nan 8.280 nan 0.000 0.511 42 A N 0.772 123.658 122.820 0.109 0.000 1.883 42 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 42 A C 2.145 179.787 177.584 0.097 0.000 1.186 42 A CA 2.048 54.125 52.037 0.067 0.000 0.624 42 A CB -0.440 18.566 19.000 0.010 0.000 0.822 42 A HN 0.532 nan 8.150 nan 0.000 0.444 43 E N -0.924 119.329 120.200 0.088 0.000 2.107 43 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 43 E C 1.623 178.334 176.600 0.184 0.000 0.982 43 E CA 0.984 57.470 56.400 0.143 0.000 0.809 43 E CB -0.090 29.672 29.700 0.104 0.000 0.756 43 E HN 0.589 nan 8.360 nan 0.000 0.459 44 D N 0.331 120.773 120.400 0.071 0.000 2.117 44 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 44 D C 1.838 178.227 176.300 0.148 0.000 0.987 44 D CA 0.972 54.987 54.000 0.026 0.000 0.829 44 D CB -0.032 40.745 40.800 -0.039 0.000 0.961 44 D HN 0.207 nan 8.370 nan 0.000 0.460 45 I N 0.020 120.694 120.570 0.174 0.000 2.353 45 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 45 I C 2.390 178.675 176.117 0.280 0.000 1.119 45 I CA 0.337 61.789 61.300 0.254 0.000 1.417 45 I CB -0.089 38.056 38.000 0.242 0.000 1.078 45 I HN 0.114 nan 8.210 nan 0.000 0.421 46 L N 0.054 121.425 121.223 0.246 0.000 2.187 46 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 46 L C 2.314 179.303 176.870 0.199 0.000 1.100 46 L CA 1.499 56.466 54.840 0.213 0.000 0.765 46 L CB -0.625 41.550 42.059 0.193 0.000 0.904 46 L HN 0.348 nan 8.230 nan 0.000 0.437 47 H N -1.277 117.890 119.070 0.162 0.000 2.524 47 H HA 0.003 4.559 4.556 -0.000 0.000 0.282 47 H C 1.910 177.431 175.328 0.322 0.000 1.016 47 H CA 1.007 57.172 56.048 0.196 0.000 1.270 47 H CB 0.223 30.087 29.762 0.170 0.000 1.394 47 H HN 0.326 nan 8.280 nan 0.000 0.568 48 A N -1.042 122.033 122.820 0.424 0.000 2.220 48 A HA 0.018 4.338 4.320 -0.000 0.000 0.211 48 A C 2.181 179.963 177.584 0.330 0.000 1.176 48 A CA 0.683 53.016 52.037 0.492 0.000 0.834 48 A CB -0.224 19.073 19.000 0.496 0.000 0.868 48 A HN 0.284 nan 8.150 nan 0.000 0.488 49 T N 1.477 116.147 114.554 0.193 0.000 2.759 49 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 49 T C -0.417 174.264 174.700 -0.031 0.000 1.042 49 T CA 1.971 64.128 62.100 0.096 0.000 1.140 49 T CB -0.825 68.097 68.868 0.090 0.000 0.864 49 T HN 0.377 nan 8.240 nan 0.000 0.455 50 P HA 0.011 nan 4.420 nan 0.000 0.220 50 P C 0.495 177.465 177.300 -0.550 0.000 1.148 50 P CA 0.839 63.659 63.100 -0.467 0.000 0.803 50 P CB -0.140 31.110 31.700 -0.750 0.000 0.782 51 F N -2.042 117.912 119.950 0.007 0.000 2.645 51 F HA 0.471 4.998 4.527 -0.000 0.000 0.300 51 F C 1.420 177.194 175.800 -0.043 0.000 1.115 51 F CA -0.177 57.817 58.000 -0.009 0.000 1.355 51 F CB -0.411 38.600 39.000 0.019 0.000 1.026 51 F HN -0.062 nan 8.300 nan 0.000 0.536 52 A N -1.536 121.294 122.820 0.017 0.000 2.196 52 A HA 0.408 4.728 4.320 -0.000 0.000 0.174 52 A C -0.467 176.974 177.584 -0.239 0.000 1.272 52 A CA -0.400 51.589 52.037 -0.081 0.000 2.185 52 A CB 0.682 19.715 19.000 0.055 0.000 2.596 52 A HN 0.125 nan 8.150 nan 0.000 1.043 53 H N -0.145 118.931 119.070 0.009 0.000 2.616 53 H HA 0.419 4.975 4.556 -0.000 0.000 0.353 53 H C -2.534 172.801 175.328 0.011 0.000 1.170 53 H CA -1.884 54.167 56.048 0.005 0.000 1.212 53 H CB 1.175 30.942 29.762 0.007 0.000 1.653 53 H HN 0.141 nan 8.280 nan 0.000 0.537 54 P HA 0.052 nan 4.420 nan 0.000 0.249 54 P C -0.693 176.674 177.300 0.112 0.000 1.737 54 P CA 0.128 63.278 63.100 0.083 0.000 1.128 54 P CB -0.151 31.580 31.700 0.052 0.000 1.942 55 V N 2.700 122.695 119.914 0.134 0.000 2.581 55 V HA 0.383 4.503 4.120 -0.000 0.000 0.303 55 V C -0.603 175.634 176.094 0.238 0.000 1.041 55 V CA -0.704 61.690 62.300 0.155 0.000 0.907 55 V CB 2.111 34.007 31.823 0.121 0.000 0.994 55 V HN 0.387 nan 8.190 nan 0.000 0.442 56 W N 5.740 127.053 121.300 0.022 0.000 2.288 56 W HA 0.649 5.309 4.660 -0.000 0.000 0.325 56 W C -0.867 175.668 176.519 0.026 0.000 1.019 56 W CA -1.069 56.288 57.345 0.020 0.000 1.403 56 W CB 0.958 30.424 29.460 0.011 0.000 1.226 56 W HN 0.334 nan 8.180 nan 0.000 0.391 57 V N 8.204 128.105 119.914 -0.022 0.000 2.370 57 V HA 0.600 4.720 4.120 -0.000 0.000 0.279 57 V C 0.003 175.923 176.094 -0.290 0.000 1.029 57 V CA -0.790 61.413 62.300 -0.161 0.000 0.870 57 V CB 0.866 32.692 31.823 0.005 0.000 0.984 57 V HN 0.479 nan 8.190 nan 0.000 0.451 58 R N 3.649 123.889 120.500 -0.434 0.000 2.774 58 R HA 0.913 5.253 4.340 -0.000 0.000 0.272 58 R C -0.863 175.289 176.300 -0.247 0.000 1.000 58 R CA -0.768 55.114 56.100 -0.363 0.000 0.906 58 R CB 2.036 31.958 30.300 -0.630 0.000 1.227 58 R HN 0.643 nan 8.270 nan 0.000 0.468 59 A N 0.742 123.472 122.820 -0.151 0.000 2.304 59 A HA 0.842 5.162 4.320 -0.000 0.000 0.301 59 A C -0.011 177.493 177.584 -0.134 0.000 1.132 59 A CA 0.079 52.043 52.037 -0.121 0.000 0.819 59 A CB 1.093 20.051 19.000 -0.071 0.000 1.094 59 A HN 1.005 nan 8.150 nan 0.000 0.492 60 G N -0.452 108.262 108.800 -0.142 0.000 2.664 60 G HA2 0.622 4.582 3.960 -0.000 0.000 0.303 60 G HA3 0.622 4.582 3.960 -0.000 0.000 0.303 60 G C -0.380 174.425 174.900 -0.158 0.000 1.243 60 G CA 0.339 45.361 45.100 -0.131 0.000 0.826 60 G HN 1.604 nan 8.290 nan 0.000 0.498 61 S N -1.710 113.904 115.700 -0.143 0.000 2.759 61 S HA 0.528 4.998 4.470 -0.000 0.000 0.310 61 S C 0.681 175.177 174.600 -0.173 0.000 1.123 61 S CA -0.545 57.541 58.200 -0.190 0.000 0.959 61 S CB 1.133 64.284 63.200 -0.083 0.000 1.172 61 S HN 0.466 nan 8.310 nan 0.000 0.539 62 Y N 1.061 121.337 120.300 -0.039 0.000 2.193 62 Y HA 0.016 4.566 4.550 -0.000 0.000 0.285 62 Y C 2.718 178.596 175.900 -0.036 0.000 1.166 62 Y CA 1.695 59.770 58.100 -0.042 0.000 1.181 62 Y CB -1.152 37.284 38.460 -0.040 0.000 0.976 62 Y HN 0.886 nan 8.280 nan 0.000 0.520 63 G N -0.475 108.393 108.800 0.113 0.000 2.448 63 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 63 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 63 G C 1.243 176.161 174.900 0.030 0.000 1.127 63 G CA 1.213 46.350 45.100 0.062 0.000 0.766 63 G HN 0.329 nan 8.290 nan 0.000 0.552 64 D N 0.238 120.639 120.400 0.001 0.000 2.363 64 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 64 D C 2.154 178.438 176.300 -0.027 0.000 0.994 64 D CA 0.108 54.094 54.000 -0.023 0.000 0.890 64 D CB 0.178 40.938 40.800 -0.067 0.000 0.906 64 D HN 0.314 nan 8.370 nan 0.000 0.530 65 L N 0.803 122.024 121.223 -0.004 0.000 2.650 65 L HA 0.046 4.386 4.340 -0.000 0.000 0.235 65 L C 1.000 177.875 176.870 0.008 0.000 1.149 65 L CA 0.057 54.897 54.840 0.000 0.000 0.887 65 L CB -0.280 41.801 42.059 0.037 0.000 1.021 65 L HN -0.117 nan 8.230 nan 0.000 0.441 66 E N 0.623 120.831 120.200 0.014 0.000 2.415 66 E HA 0.127 4.477 4.350 -0.000 0.000 0.260 66 E C 1.160 177.768 176.600 0.015 0.000 1.016 66 E CA 0.785 57.194 56.400 0.016 0.000 0.924 66 E CB 0.304 30.016 29.700 0.021 0.000 0.961 66 E HN 0.341 nan 8.360 nan 0.000 0.459 67 G N 2.822 111.629 108.800 0.011 0.000 2.217 67 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 67 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 67 G C 0.319 175.223 174.900 0.007 0.000 0.990 67 G CA -0.072 45.035 45.100 0.012 0.000 0.627 67 G HN 0.884 nan 8.290 nan 0.000 0.522 68 A N 0.505 123.326 122.820 0.000 0.000 2.545 68 A HA 0.548 4.868 4.320 -0.000 0.000 0.253 68 A C 1.396 178.976 177.584 -0.007 0.000 1.074 68 A CA 1.044 53.077 52.037 -0.007 0.000 0.760 68 A CB 0.043 19.035 19.000 -0.014 0.000 1.005 68 A HN 0.506 nan 8.150 nan 0.000 0.506 69 R N 1.449 121.945 120.500 -0.007 0.000 2.193 69 R HA 0.181 4.521 4.340 -0.000 0.000 0.213 69 R C 0.451 176.743 176.300 -0.013 0.000 1.055 69 R CA 1.134 57.230 56.100 -0.007 0.000 0.995 69 R CB 0.090 30.387 30.300 -0.005 0.000 0.893 69 R HN 0.799 nan 8.270 nan 0.000 0.459 70 A N 0.351 123.159 122.820 -0.019 0.000 2.488 70 A HA 0.538 4.858 4.320 -0.000 0.000 0.298 70 A C -1.199 176.367 177.584 -0.030 0.000 1.044 70 A CA -0.562 51.460 52.037 -0.025 0.000 0.693 70 A CB 2.016 20.997 19.000 -0.031 0.000 1.272 70 A HN -0.056 nan 8.150 nan 0.000 0.402 71 V N 2.323 122.218 119.914 -0.033 0.000 2.531 71 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 71 V C -0.296 175.771 176.094 -0.045 0.000 1.034 71 V CA -0.639 61.638 62.300 -0.038 0.000 0.865 71 V CB 1.721 33.524 31.823 -0.033 0.000 0.995 71 V HN 0.711 nan 8.190 nan 0.000 0.424 72 V N 6.418 126.305 119.914 -0.045 0.000 2.406 72 V HA 0.342 4.462 4.120 -0.000 0.000 0.272 72 V C 0.086 176.149 176.094 -0.052 0.000 1.043 72 V CA -0.329 61.946 62.300 -0.042 0.000 0.915 72 V CB 1.322 33.124 31.823 -0.035 0.000 0.988 72 V HN 0.618 nan 8.190 nan 0.000 0.466 73 L N 5.183 126.371 121.223 -0.058 0.000 2.270 73 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 73 L C 0.733 177.612 176.870 0.015 0.000 1.059 73 L CA -0.120 54.658 54.840 -0.103 0.000 0.839 73 L CB 0.845 42.736 42.059 -0.280 0.000 1.221 73 L HN 0.745 nan 8.230 nan 0.000 0.431 74 A N 2.753 125.581 122.820 0.013 0.000 2.643 74 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 74 A C 0.554 178.174 177.584 0.060 0.000 1.065 74 A CA -0.207 51.861 52.037 0.051 0.000 0.986 74 A CB 0.344 19.349 19.000 0.009 0.000 1.212 74 A HN 0.619 nan 8.150 nan 0.000 0.516 75 A N -0.127 122.748 122.820 0.093 0.000 2.310 75 A HA 0.826 5.146 4.320 -0.000 0.000 0.299 75 A C 0.463 178.157 177.584 0.183 0.000 1.147 75 A CA 0.225 52.322 52.037 0.101 0.000 0.818 75 A CB 0.655 19.695 19.000 0.068 0.000 1.096 75 A HN 1.547 nan 8.150 nan 0.000 0.495 76 G N -0.703 108.165 108.800 0.113 0.000 2.441 76 G HA2 0.631 4.591 3.960 -0.000 0.000 0.294 76 G HA3 0.631 4.591 3.960 -0.000 0.000 0.294 76 G C -0.933 173.999 174.900 0.052 0.000 1.393 76 G CA 0.183 45.340 45.100 0.094 0.000 0.796 76 G HN 1.926 nan 8.290 nan 0.000 0.494 77 V N -2.345 117.591 119.914 0.036 0.000 3.019 77 V HA 0.965 5.085 4.120 -0.000 0.000 0.317 77 V C 0.467 176.569 176.094 0.013 0.000 1.094 77 V CA -0.524 61.790 62.300 0.023 0.000 1.000 77 V CB 1.376 33.213 31.823 0.024 0.000 1.060 77 V HN 2.096 nan 8.190 nan 0.000 0.443 78 A N 1.906 124.731 122.820 0.009 0.000 2.309 78 A HA 0.524 4.844 4.320 -0.000 0.000 0.298 78 A C 0.130 177.717 177.584 0.005 0.000 1.165 78 A CA -0.497 51.543 52.037 0.004 0.000 0.821 78 A CB 0.688 19.688 19.000 0.001 0.000 1.102 78 A HN 1.052 nan 8.150 nan 0.000 0.500 79 Q N 1.131 120.933 119.800 0.003 0.000 2.428 79 Q HA 0.081 4.421 4.340 -0.000 0.000 0.276 79 Q C -0.346 175.656 176.000 0.004 0.000 1.059 79 Q CA 0.395 56.200 55.803 0.004 0.000 0.923 79 Q CB 0.414 29.154 28.738 0.003 0.000 1.283 79 Q HN 0.694 nan 8.270 nan 0.000 0.447 80 R N 3.712 124.215 120.500 0.005 0.000 2.312 80 R HA 0.322 4.662 4.340 -0.000 0.000 0.311 80 R C -2.314 173.989 176.300 0.005 0.000 1.004 80 R CA -1.972 54.130 56.100 0.005 0.000 0.902 80 R CB 0.809 31.113 30.300 0.006 0.000 1.073 80 R HN 0.488 nan 8.270 nan 0.000 0.457 81 P HA -0.003 nan 4.420 nan 0.000 0.260 81 P C 0.569 177.872 177.300 0.005 0.000 1.207 81 P CA 0.844 63.947 63.100 0.004 0.000 0.780 81 P CB 0.514 32.216 31.700 0.003 0.000 0.789 82 G N 2.307 111.110 108.800 0.005 0.000 2.255 82 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.196 82 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.196 82 G C 0.077 174.980 174.900 0.006 0.000 0.998 82 G CA -0.121 44.982 45.100 0.006 0.000 0.656 82 G HN 0.621 nan 8.290 nan 0.000 0.490 83 E N 1.460 121.664 120.200 0.007 0.000 2.349 83 E HA 0.562 4.912 4.350 -0.000 0.000 0.262 83 E C 0.652 177.257 176.600 0.008 0.000 1.088 83 E CA 0.040 56.445 56.400 0.008 0.000 0.899 83 E CB 0.726 30.431 29.700 0.008 0.000 1.044 83 E HN 0.398 nan 8.360 nan 0.000 0.420 84 T N -0.762 113.797 114.554 0.009 0.000 2.828 84 T HA 0.107 4.457 4.350 -0.000 0.000 0.290 84 T C 1.045 175.751 174.700 0.010 0.000 1.019 84 T CA -0.489 61.617 62.100 0.010 0.000 1.031 84 T CB 1.496 70.371 68.868 0.012 0.000 1.001 84 T HN 0.726 nan 8.240 nan 0.000 0.531 85 R N -0.191 120.315 120.500 0.010 0.000 2.081 85 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 85 R C 2.275 178.582 176.300 0.011 0.000 1.131 85 R CA 1.232 57.337 56.100 0.008 0.000 0.960 85 R CB -0.616 29.689 30.300 0.007 0.000 0.856 85 R HN 0.642 nan 8.270 nan 0.000 0.436 86 L N 1.371 122.604 121.223 0.017 0.000 2.127 86 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 86 L C 2.058 178.943 176.870 0.025 0.000 1.089 86 L CA 1.790 56.645 54.840 0.025 0.000 0.757 86 L CB -0.350 41.727 42.059 0.030 0.000 0.899 86 L HN 0.259 nan 8.230 nan 0.000 0.434 87 Q N -1.202 118.609 119.800 0.020 0.000 2.046 87 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 87 Q C 2.191 178.201 176.000 0.017 0.000 0.975 87 Q CA 1.927 57.742 55.803 0.019 0.000 0.836 87 Q CB -0.312 28.436 28.738 0.015 0.000 0.896 87 Q HN 0.561 nan 8.270 nan 0.000 0.428 88 L N -0.080 121.149 121.223 0.010 0.000 2.056 88 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 88 L C 1.755 178.623 176.870 -0.004 0.000 1.078 88 L CA 1.353 56.195 54.840 0.004 0.000 0.749 88 L CB -0.347 41.712 42.059 0.000 0.000 0.901 88 L HN 0.164 nan 8.230 nan 0.000 0.433 89 L N 0.141 121.361 121.223 -0.005 0.000 2.079 89 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 89 L C 2.250 179.119 176.870 -0.002 0.000 1.081 89 L CA 2.075 56.903 54.840 -0.020 0.000 0.752 89 L CB -1.272 40.783 42.059 -0.006 0.000 0.896 89 L HN 0.505 nan 8.230 nan 0.000 0.433 90 D N -0.933 119.485 120.400 0.031 0.000 2.144 90 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 90 D C 2.305 178.634 176.300 0.047 0.000 0.978 90 D CA 0.995 55.031 54.000 0.060 0.000 0.833 90 D CB 0.144 40.978 40.800 0.057 0.000 0.961 90 D HN 0.160 nan 8.370 nan 0.000 0.470 91 R N -0.141 120.376 120.500 0.028 0.000 2.092 91 R HA -0.039 4.301 4.340 -0.000 0.000 0.231 91 R C 1.920 178.235 176.300 0.025 0.000 1.119 91 R CA 1.012 57.129 56.100 0.029 0.000 0.970 91 R CB -0.316 29.998 30.300 0.023 0.000 0.864 91 R HN 0.267 nan 8.270 nan 0.000 0.440 92 N N 0.915 119.607 118.700 -0.012 0.000 2.188 92 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 92 N C 1.674 177.132 175.510 -0.086 0.000 1.018 92 N CA 1.321 54.340 53.050 -0.051 0.000 0.858 92 N CB -0.210 38.198 38.487 -0.133 0.000 0.989 92 N HN 0.190 nan 8.380 nan 0.000 0.426 93 A N 1.259 124.023 122.820 -0.092 0.000 1.933 93 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 93 A C 2.161 179.797 177.584 0.087 0.000 1.175 93 A CA 1.274 53.264 52.037 -0.078 0.000 0.628 93 A CB -0.549 18.482 19.000 0.051 0.000 0.814 93 A HN 0.345 nan 8.150 nan 0.000 0.444 94 Q N -0.524 119.334 119.800 0.098 0.000 2.050 94 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 94 Q C 2.186 178.261 176.000 0.125 0.000 0.980 94 Q CA 1.741 57.609 55.803 0.109 0.000 0.840 94 Q CB -0.423 28.363 28.738 0.079 0.000 0.898 94 Q HN 0.504 nan 8.270 nan 0.000 0.424 95 V N 0.469 120.467 119.914 0.140 0.000 2.282 95 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 95 V C 1.975 178.211 176.094 0.238 0.000 1.057 95 V CA 1.808 64.213 62.300 0.176 0.000 1.032 95 V CB -0.629 31.317 31.823 0.205 0.000 0.645 95 V HN 0.268 nan 8.190 nan 0.000 0.447 96 F N 0.723 120.665 119.950 -0.013 0.000 2.171 96 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 96 F C 2.399 178.181 175.800 -0.030 0.000 1.090 96 F CA 0.861 58.841 58.000 -0.034 0.000 1.293 96 F CB -1.147 37.806 39.000 -0.078 0.000 1.013 96 F HN 0.100 nan 8.300 nan 0.000 0.486 97 A N -0.614 122.312 122.820 0.176 0.000 1.978 97 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 97 A C 2.181 179.782 177.584 0.028 0.000 1.170 97 A CA 1.546 53.643 52.037 0.099 0.000 0.636 97 A CB -0.406 18.661 19.000 0.112 0.000 0.810 97 A HN 0.324 nan 8.150 nan 0.000 0.448 98 Q N -0.765 119.049 119.800 0.023 0.000 2.134 98 Q HA 0.025 4.365 4.340 -0.000 0.000 0.195 98 Q C 2.385 178.319 176.000 -0.111 0.000 0.958 98 Q CA 1.311 57.098 55.803 -0.027 0.000 0.840 98 Q CB -0.906 27.841 28.738 0.015 0.000 0.918 98 Q HN 0.448 nan 8.270 nan 0.000 0.467 99 V N 0.842 120.701 119.914 -0.093 0.000 2.237 99 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 99 V C 2.550 178.486 176.094 -0.263 0.000 1.046 99 V CA 1.511 63.708 62.300 -0.173 0.000 1.007 99 V CB -0.784 30.942 31.823 -0.162 0.000 0.638 99 V HN 0.063 nan 8.190 nan 0.000 0.445 100 V N 1.309 121.080 119.914 -0.239 0.000 2.231 100 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 100 V C 0.388 176.374 176.094 -0.180 0.000 1.058 100 V CA 2.928 65.105 62.300 -0.204 0.000 1.022 100 V CB -2.166 29.574 31.823 -0.140 0.000 0.640 100 V HN 0.549 nan 8.190 nan 0.000 0.445 101 P HA -0.180 nan 4.420 nan 0.000 0.218 101 P C 1.536 178.708 177.300 -0.214 0.000 1.148 101 P CA 1.549 64.558 63.100 -0.152 0.000 0.822 101 P CB -0.158 31.473 31.700 -0.116 0.000 0.784 102 R N -0.452 119.835 120.500 -0.354 0.000 2.115 102 R HA -0.004 4.336 4.340 -0.000 0.000 0.226 102 R C 2.387 178.419 176.300 -0.447 0.000 1.100 102 R CA 0.768 56.541 56.100 -0.544 0.000 0.980 102 R CB -0.805 28.813 30.300 -1.138 0.000 0.875 102 R HN 0.092 nan 8.270 nan 0.000 0.445 103 V N 1.433 121.147 119.914 -0.333 0.000 2.307 103 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 103 V C 2.214 178.260 176.094 -0.079 0.000 1.045 103 V CA 1.609 63.844 62.300 -0.108 0.000 1.024 103 V CB -0.324 31.453 31.823 -0.076 0.000 0.651 103 V HN 0.272 nan 8.190 nan 0.000 0.449 104 L N -0.019 121.142 121.223 -0.102 0.000 2.141 104 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 104 L C 2.576 179.409 176.870 -0.061 0.000 1.094 104 L CA 1.495 56.292 54.840 -0.071 0.000 0.763 104 L CB -0.538 41.477 42.059 -0.073 0.000 0.908 104 L HN 0.402 nan 8.230 nan 0.000 0.437 105 E N 0.922 121.073 120.200 -0.082 0.000 2.077 105 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 105 E C 2.064 178.644 176.600 -0.034 0.000 0.989 105 E CA 1.756 58.119 56.400 -0.062 0.000 0.800 105 E CB -0.022 29.629 29.700 -0.082 0.000 0.746 105 E HN 0.372 nan 8.360 nan 0.000 0.452 106 A N -0.054 122.752 122.820 -0.024 0.000 1.935 106 A HA 0.454 4.774 4.320 -0.000 0.000 0.214 106 A C 1.488 179.075 177.584 0.004 0.000 1.178 106 A CA 0.890 52.931 52.037 0.006 0.000 0.640 106 A CB -0.030 18.997 19.000 0.045 0.000 0.825 106 A HN 0.327 nan 8.150 nan 0.000 0.447 107 A N -0.314 122.504 122.820 -0.005 0.000 2.978 107 A HA 0.623 4.943 4.320 -0.000 0.000 0.341 107 A C -1.973 175.602 177.584 -0.015 0.000 1.105 107 A CA -1.061 50.972 52.037 -0.006 0.000 0.819 107 A CB 0.384 19.383 19.000 -0.002 0.000 1.080 107 A HN 0.121 nan 8.150 nan 0.000 0.476 108 P HA -0.121 nan 4.420 nan 0.000 0.222 108 P C 0.797 178.089 177.300 -0.012 0.000 1.147 108 P CA 1.230 64.320 63.100 -0.018 0.000 0.790 108 P CB 0.430 32.121 31.700 -0.015 0.000 0.780 109 E N -1.226 118.970 120.200 -0.008 0.000 2.481 109 E HA 0.232 4.582 4.350 -0.000 0.000 0.198 109 E C 0.771 177.368 176.600 -0.005 0.000 1.027 109 E CA -0.199 56.199 56.400 -0.004 0.000 0.900 109 E CB -0.177 29.523 29.700 -0.001 0.000 0.993 109 E HN 0.112 nan 8.360 nan 0.000 0.482 110 A N 1.123 123.938 122.820 -0.009 0.000 2.445 110 A HA 0.293 4.613 4.320 -0.000 0.000 0.242 110 A C 0.384 177.961 177.584 -0.011 0.000 1.075 110 A CA -0.268 51.762 52.037 -0.011 0.000 0.777 110 A CB 0.562 19.553 19.000 -0.016 0.000 1.013 110 A HN -0.011 nan 8.150 nan 0.000 0.493 111 V N 3.164 123.071 119.914 -0.012 0.000 2.439 111 V HA 0.263 4.383 4.120 -0.000 0.000 0.282 111 V C 0.096 176.180 176.094 -0.017 0.000 1.039 111 V CA -0.206 62.089 62.300 -0.009 0.000 0.913 111 V CB 1.112 32.928 31.823 -0.010 0.000 0.983 111 V HN 0.677 nan 8.190 nan 0.000 0.460 112 L N 5.976 127.192 121.223 -0.012 0.000 2.276 112 L HA 0.495 4.835 4.340 -0.000 0.000 0.286 112 L C -0.396 176.467 176.870 -0.012 0.000 1.061 112 L CA -0.279 54.548 54.840 -0.021 0.000 0.807 112 L CB 1.001 43.045 42.059 -0.024 0.000 1.177 112 L HN 0.417 nan 8.230 nan 0.000 0.429 113 L N 4.752 125.961 121.223 -0.023 0.000 2.297 113 L HA 0.357 4.697 4.340 -0.000 0.000 0.277 113 L C -0.387 176.487 176.870 0.006 0.000 1.040 113 L CA -0.631 54.199 54.840 -0.016 0.000 0.867 113 L CB 1.601 43.639 42.059 -0.035 0.000 1.244 113 L HN 0.346 nan 8.230 nan 0.000 0.433 114 V N 3.013 122.953 119.914 0.044 0.000 2.508 114 V HA 0.208 4.328 4.120 -0.000 0.000 0.281 114 V C 0.934 177.075 176.094 0.078 0.000 1.041 114 V CA 0.328 62.695 62.300 0.112 0.000 1.016 114 V CB 1.209 33.136 31.823 0.174 0.000 0.984 114 V HN 0.902 nan 8.190 nan 0.000 0.478 115 A N 3.362 126.241 122.820 0.097 0.000 2.498 115 A HA 0.285 4.605 4.320 -0.000 0.000 0.238 115 A C 0.993 178.626 177.584 0.083 0.000 1.225 115 A CA -0.018 52.056 52.037 0.061 0.000 0.978 115 A CB 0.228 19.250 19.000 0.037 0.000 1.142 115 A HN 0.636 nan 8.150 nan 0.000 0.552 116 T N 2.212 116.843 114.554 0.129 0.000 2.870 116 T HA 0.228 4.578 4.350 -0.000 0.000 0.300 116 T C -0.013 174.706 174.700 0.032 0.000 0.989 116 T CA 0.165 62.323 62.100 0.096 0.000 1.139 116 T CB 0.125 69.092 68.868 0.165 0.000 0.920 116 T HN 0.484 nan 8.240 nan 0.000 0.537 117 N N 3.792 122.509 118.700 0.029 0.000 2.518 117 N HA 0.336 5.076 4.740 -0.000 0.000 0.283 117 N C -2.346 173.146 175.510 -0.031 0.000 1.119 117 N CA -1.356 51.706 53.050 0.020 0.000 0.983 117 N CB 0.603 39.114 38.487 0.041 0.000 1.139 117 N HN 0.413 nan 8.380 nan 0.000 0.465 118 P HA 0.008 nan 4.420 nan 0.000 0.275 118 P C 0.744 178.033 177.300 -0.018 0.000 1.276 118 P CA -0.119 62.970 63.100 -0.018 0.000 0.782 118 P CB 1.248 32.929 31.700 -0.033 0.000 0.851 119 V N 3.492 123.432 119.914 0.043 0.000 2.370 119 V HA -0.262 3.858 4.120 -0.000 0.000 0.252 119 V C 1.712 177.813 176.094 0.012 0.000 1.068 119 V CA 2.256 64.579 62.300 0.037 0.000 1.061 119 V CB -0.500 31.368 31.823 0.074 0.000 0.656 119 V HN 0.484 nan 8.190 nan 0.000 0.455 120 D N -0.488 119.924 120.400 0.019 0.000 2.123 120 D HA -0.032 4.607 4.640 -0.000 0.000 0.200 120 D C 1.202 177.490 176.300 -0.022 0.000 0.976 120 D CA 0.929 54.931 54.000 0.004 0.000 0.831 120 D CB -0.141 40.663 40.800 0.007 0.000 0.974 120 D HN 0.411 nan 8.370 nan 0.000 0.469 124 Q N 1.867 121.702 119.800 0.059 0.000 2.084 124 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 124 Q C 2.055 178.068 176.000 0.022 0.000 0.978 124 Q CA 2.176 58.063 55.803 0.139 0.000 0.844 124 Q CB -0.552 28.254 28.738 0.112 0.000 0.898 124 Q HN 0.420 nan 8.270 nan 0.000 0.426 125 V N 0.663 120.426 119.914 -0.253 0.000 2.261 125 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 125 V C 2.305 178.289 176.094 -0.183 0.000 1.047 125 V CA 1.919 63.844 62.300 -0.625 0.000 1.015 125 V CB -1.327 29.988 31.823 -0.846 0.000 0.642 125 V HN 0.563 nan 8.190 nan 0.000 0.446 126 A N -0.902 121.964 122.820 0.076 0.000 1.908 126 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 126 A C 2.165 179.801 177.584 0.086 0.000 1.181 126 A CA 2.360 54.517 52.037 0.199 0.000 0.627 126 A CB -0.820 18.355 19.000 0.292 0.000 0.818 126 A HN 0.684 nan 8.150 nan 0.000 0.445 127 Y N 1.018 121.307 120.300 -0.018 0.000 2.049 127 Y HA -0.236 4.314 4.550 -0.000 0.000 0.277 127 Y C 2.494 178.330 175.900 -0.108 0.000 1.143 127 Y CA 2.176 60.231 58.100 -0.076 0.000 1.115 127 Y CB -0.468 37.921 38.460 -0.119 0.000 0.975 127 Y HN 0.278 nan 8.280 nan 0.000 0.487 128 R N -0.475 119.788 120.500 -0.394 0.000 2.127 128 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 128 R C 2.058 178.229 176.300 -0.214 0.000 1.134 128 R CA 1.465 57.322 56.100 -0.405 0.000 0.975 128 R CB -0.804 29.506 30.300 0.016 0.000 0.865 128 R HN 0.342 nan 8.270 nan 0.000 0.447 129 L N 1.170 122.343 121.223 -0.083 0.000 2.217 129 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 129 L C 2.493 179.310 176.870 -0.087 0.000 1.107 129 L CA 1.634 56.457 54.840 -0.027 0.000 0.783 129 L CB -0.446 41.636 42.059 0.038 0.000 0.919 129 L HN 0.196 nan 8.230 nan 0.000 0.442 130 S N -1.341 114.280 115.700 -0.131 0.000 2.414 130 S HA 0.081 4.551 4.470 -0.000 0.000 0.227 130 S C 1.766 176.287 174.600 -0.133 0.000 1.022 130 S CA 0.554 58.685 58.200 -0.115 0.000 0.958 130 S CB -0.432 62.720 63.200 -0.080 0.000 0.797 130 S HN 0.505 nan 8.310 nan 0.000 0.493 131 G N 0.976 109.648 108.800 -0.213 0.000 2.155 131 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 131 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 131 G C -0.013 174.816 174.900 -0.118 0.000 0.983 131 G CA 0.717 45.710 45.100 -0.178 0.000 0.676 131 G HN 0.567 nan 8.290 nan 0.000 0.528 132 L N 1.060 122.225 121.223 -0.096 0.000 2.431 132 L HA 0.541 4.881 4.340 -0.000 0.000 0.260 132 L C -1.264 175.649 176.870 0.072 0.000 1.098 132 L CA -2.352 52.483 54.840 -0.007 0.000 0.800 132 L CB 0.654 42.723 42.059 0.016 0.000 1.210 132 L HN -0.072 nan 8.230 nan 0.000 0.465 133 P HA 0.146 nan 4.420 nan 0.000 0.272 133 P C -2.339 175.083 177.300 0.204 0.000 1.223 133 P CA -1.371 61.815 63.100 0.144 0.000 0.784 133 P CB 0.215 31.965 31.700 0.084 0.000 0.923 134 P HA -0.222 nan 4.420 nan 0.000 0.217 134 P C 1.600 178.916 177.300 0.027 0.000 1.162 134 P CA 2.333 65.446 63.100 0.021 0.000 0.901 134 P CB -0.529 31.178 31.700 0.011 0.000 0.793 135 G N -1.000 107.824 108.800 0.039 0.000 2.559 135 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 135 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 135 G C 1.526 176.445 174.900 0.033 0.000 1.126 135 G CA 0.141 45.256 45.100 0.025 0.000 0.778 135 G HN 0.170 nan 8.290 nan 0.000 0.543 136 R N -0.316 120.217 120.500 0.055 0.000 2.276 136 R HA 0.083 4.423 4.340 -0.000 0.000 0.203 136 R C 0.029 176.359 176.300 0.050 0.000 1.017 136 R CA 0.197 56.325 56.100 0.047 0.000 1.010 136 R CB 0.034 30.364 30.300 0.051 0.000 0.900 136 R HN 0.264 nan 8.270 nan 0.000 0.469 137 V N 1.841 121.799 119.914 0.074 0.000 2.350 137 V HA 0.293 4.413 4.120 -0.000 0.000 0.285 137 V C -0.258 175.867 176.094 0.051 0.000 1.014 137 V CA -0.700 61.648 62.300 0.079 0.000 0.831 137 V CB 1.994 33.911 31.823 0.157 0.000 1.000 137 V HN -0.264 nan 8.190 nan 0.000 0.433 138 V N 3.676 123.607 119.914 0.028 0.000 2.487 138 V HA 0.779 4.899 4.120 -0.000 0.000 0.298 138 V C 0.641 176.739 176.094 0.006 0.000 1.028 138 V CA -0.433 61.871 62.300 0.007 0.000 0.860 138 V CB 1.959 33.772 31.823 -0.016 0.000 0.991 138 V HN 0.871 nan 8.190 nan 0.000 0.427 139 G N 1.734 110.537 108.800 0.004 0.000 2.371 139 G HA2 0.450 4.410 3.960 -0.000 0.000 0.326 139 G HA3 0.450 4.410 3.960 -0.000 0.000 0.326 139 G C 0.982 175.861 174.900 -0.035 0.000 1.127 139 G CA 0.256 45.357 45.100 0.002 0.000 0.885 139 G HN 0.908 nan 8.290 nan 0.000 0.477 140 S N 1.499 117.168 115.700 -0.051 0.000 2.420 140 S HA -0.006 4.464 4.470 -0.000 0.000 0.237 140 S C 2.133 176.656 174.600 -0.129 0.000 1.023 140 S CA 1.209 59.354 58.200 -0.093 0.000 0.991 140 S CB -0.856 62.284 63.200 -0.100 0.000 0.792 140 S HN 2.248 nan 8.310 nan 0.000 0.488 141 G N 1.698 110.420 108.800 -0.130 0.000 2.651 141 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.315 141 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.315 141 G C 0.839 175.572 174.900 -0.278 0.000 1.258 141 G CA 1.987 47.007 45.100 -0.134 0.000 1.002 141 G HN 1.373 nan 8.290 nan 0.000 0.551 142 T N -0.170 114.308 114.554 -0.127 0.000 3.122 142 T HA 0.420 4.770 4.350 -0.000 0.000 0.250 142 T C 2.445 177.117 174.700 -0.046 0.000 1.067 142 T CA 1.106 63.157 62.100 -0.082 0.000 0.966 142 T CB -0.286 68.595 68.868 0.020 0.000 1.002 142 T HN 1.346 nan 8.240 nan 0.000 0.542 143 I N -1.010 119.532 120.570 -0.046 0.000 2.229 143 I HA -0.178 3.992 4.170 -0.000 0.000 0.250 143 I C 1.936 178.068 176.117 0.025 0.000 1.096 143 I CA 1.403 62.718 61.300 0.025 0.000 1.358 143 I CB -0.687 37.332 38.000 0.032 0.000 1.047 143 I HN 0.132 nan 8.210 nan 0.000 0.422 144 L N 1.221 122.431 121.223 -0.020 0.000 2.156 144 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 144 L C 1.970 178.867 176.870 0.046 0.000 1.095 144 L CA 1.764 56.612 54.840 0.014 0.000 0.770 144 L CB -0.900 41.161 42.059 0.004 0.000 0.914 144 L HN 0.282 nan 8.230 nan 0.000 0.439 145 D N -1.909 118.521 120.400 0.050 0.000 2.183 145 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 145 D C 2.089 178.435 176.300 0.076 0.000 0.962 145 D CA 1.217 55.254 54.000 0.061 0.000 0.849 145 D CB -0.130 40.710 40.800 0.066 0.000 0.978 145 D HN 0.195 nan 8.370 nan 0.000 0.488 146 T N 0.705 115.312 114.554 0.088 0.000 2.746 146 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 146 T C 1.991 176.762 174.700 0.119 0.000 1.039 146 T CA 1.450 63.634 62.100 0.140 0.000 1.142 146 T CB -0.194 68.763 68.868 0.148 0.000 0.866 146 T HN 0.179 nan 8.240 nan 0.000 0.444 147 A N 1.675 124.544 122.820 0.081 0.000 1.898 147 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 147 A C 2.231 179.849 177.584 0.057 0.000 1.181 147 A CA 1.869 53.938 52.037 0.053 0.000 0.620 147 A CB -0.489 18.542 19.000 0.052 0.000 0.819 147 A HN 0.373 nan 8.150 nan 0.000 0.442 148 R N -1.119 119.428 120.500 0.077 0.000 2.092 148 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 148 R C 1.743 178.119 176.300 0.127 0.000 1.119 148 R CA 1.677 57.825 56.100 0.081 0.000 0.970 148 R CB -0.868 29.477 30.300 0.075 0.000 0.864 148 R HN 0.400 nan 8.270 nan 0.000 0.440 149 F N 1.431 121.337 119.950 -0.074 0.000 2.095 149 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 149 F C 1.773 177.487 175.800 -0.143 0.000 1.104 149 F CA 1.758 59.673 58.000 -0.141 0.000 1.232 149 F CB -0.451 38.434 39.000 -0.193 0.000 0.987 149 F HN 0.005 nan 8.300 nan 0.000 0.475 150 R N -0.086 120.345 120.500 -0.115 0.000 2.092 150 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 150 R C 2.415 178.637 176.300 -0.129 0.000 1.119 150 R CA 1.175 57.135 56.100 -0.233 0.000 0.970 150 R CB -0.783 29.416 30.300 -0.168 0.000 0.864 150 R HN 0.349 nan 8.270 nan 0.000 0.440 151 A N 1.247 124.042 122.820 -0.042 0.000 1.898 151 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 151 A C 2.162 179.749 177.584 0.006 0.000 1.181 151 A CA 1.059 53.089 52.037 -0.012 0.000 0.620 151 A CB -0.463 18.547 19.000 0.016 0.000 0.819 151 A HN 0.160 nan 8.150 nan 0.000 0.442 152 L N -0.610 120.630 121.223 0.028 0.000 2.027 152 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 152 L C 2.547 179.448 176.870 0.052 0.000 1.074 152 L CA 1.040 55.919 54.840 0.064 0.000 0.745 152 L CB -0.503 41.620 42.059 0.107 0.000 0.898 152 L HN 0.371 nan 8.230 nan 0.000 0.433 153 L N -0.542 120.646 121.223 -0.059 0.000 2.127 153 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 153 L C 2.831 179.700 176.870 -0.002 0.000 1.089 153 L CA 1.076 55.872 54.840 -0.074 0.000 0.757 153 L CB -0.730 41.130 42.059 -0.332 0.000 0.899 153 L HN 0.272 nan 8.230 nan 0.000 0.434 154 A N -0.165 122.626 122.820 -0.048 0.000 1.873 154 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 154 A C 2.301 179.903 177.584 0.031 0.000 1.186 154 A CA 1.767 53.780 52.037 -0.039 0.000 0.616 154 A CB -0.510 18.457 19.000 -0.055 0.000 0.823 154 A HN 0.462 nan 8.150 nan 0.000 0.442 155 E N -1.575 118.660 120.200 0.059 0.000 2.077 155 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 155 E C 1.874 178.546 176.600 0.119 0.000 0.989 155 E CA 1.555 58.002 56.400 0.079 0.000 0.800 155 E CB -0.339 29.413 29.700 0.086 0.000 0.746 155 E HN 0.693 nan 8.360 nan 0.000 0.452 156 Y N 0.879 121.199 120.300 0.033 0.000 2.181 156 Y HA -0.119 4.431 4.550 -0.000 0.000 0.288 156 Y C 1.794 177.735 175.900 0.069 0.000 1.146 156 Y CA 1.572 59.706 58.100 0.056 0.000 1.164 156 Y CB 0.052 38.557 38.460 0.076 0.000 0.982 156 Y HN 0.029 nan 8.280 nan 0.000 0.515 157 L N -0.027 121.279 121.223 0.137 0.000 2.592 157 L HA 0.158 4.498 4.340 -0.000 0.000 0.227 157 L C 0.404 177.351 176.870 0.127 0.000 1.127 157 L CA 0.152 55.071 54.840 0.131 0.000 0.884 157 L CB -0.174 42.017 42.059 0.220 0.000 1.065 157 L HN 0.022 nan 8.230 nan 0.000 0.457 158 R N -0.019 120.518 120.500 0.062 0.000 3.264 158 R HA -0.145 4.195 4.340 -0.000 0.000 0.251 158 R C -0.691 175.662 176.300 0.088 0.000 0.971 158 R CA 0.300 56.432 56.100 0.053 0.000 0.658 158 R CB -1.598 28.718 30.300 0.028 0.000 1.095 158 R HN 0.196 nan 8.270 nan 0.000 0.443 159 V N -0.503 119.448 119.914 0.061 0.000 3.114 159 V HA 0.782 4.902 4.120 -0.000 0.000 0.308 159 V C -0.550 175.529 176.094 -0.026 0.000 1.168 159 V CA -0.207 62.118 62.300 0.041 0.000 1.015 159 V CB 2.185 34.002 31.823 -0.010 0.000 1.050 159 V HN 0.378 nan 8.190 nan 0.000 0.433 160 A N 5.644 128.446 122.820 -0.030 0.000 2.477 160 A HA 0.502 4.822 4.320 -0.000 0.000 0.246 160 A C -1.692 175.842 177.584 -0.083 0.000 1.078 160 A CA -0.608 51.404 52.037 -0.043 0.000 0.770 160 A CB -0.000 18.981 19.000 -0.031 0.000 1.011 160 A HN 0.783 nan 8.150 nan 0.000 0.494 161 P HA -0.207 nan 4.420 nan 0.000 0.216 161 P C 1.007 178.251 177.300 -0.094 0.000 1.154 161 P CA 1.438 64.487 63.100 -0.085 0.000 0.865 161 P CB 0.123 31.792 31.700 -0.051 0.000 0.789 162 Q N -1.141 118.617 119.800 -0.070 0.000 2.368 162 Q HA -0.077 4.263 4.340 -0.000 0.000 0.210 162 Q C 1.949 177.877 176.000 -0.120 0.000 0.982 162 Q CA 1.392 57.158 55.803 -0.062 0.000 0.884 162 Q CB -1.037 27.676 28.738 -0.042 0.000 0.933 162 Q HN 0.216 nan 8.270 nan 0.000 0.460 163 S N -0.918 114.679 115.700 -0.171 0.000 2.524 163 S HA 0.104 4.574 4.470 -0.000 0.000 0.216 163 S C 0.331 174.719 174.600 -0.353 0.000 0.987 163 S CA -0.191 57.851 58.200 -0.262 0.000 0.909 163 S CB 0.539 63.603 63.200 -0.227 0.000 0.781 163 S HN 0.053 nan 8.310 nan 0.000 0.521 164 V N 2.884 122.629 119.914 -0.281 0.000 2.406 164 V HA 0.225 4.345 4.120 -0.000 0.000 0.272 164 V C -0.281 175.718 176.094 -0.158 0.000 1.043 164 V CA -0.264 61.861 62.300 -0.292 0.000 0.915 164 V CB 0.325 31.966 31.823 -0.303 0.000 0.988 164 V HN 0.418 nan 8.190 nan 0.000 0.466 165 H N 3.854 122.715 119.070 -0.348 0.000 2.643 165 H HA 0.669 5.225 4.556 -0.000 0.000 0.259 165 H C 0.045 175.045 175.328 -0.546 0.000 1.298 165 H CA -0.281 55.508 56.048 -0.432 0.000 1.301 165 H CB 1.204 30.765 29.762 -0.334 0.000 1.422 165 H HN 0.796 nan 8.280 nan 0.000 0.521 166 A N 3.055 125.561 122.820 -0.524 0.000 2.435 166 A HA 0.639 4.959 4.320 -0.000 0.000 0.304 166 A C -1.739 175.609 177.584 -0.393 0.000 1.064 166 A CA -0.588 51.151 52.037 -0.498 0.000 0.727 166 A CB 1.360 19.913 19.000 -0.745 0.000 1.284 166 A HN 0.467 nan 8.150 nan 0.000 0.415 167 Y N -0.327 120.026 120.300 0.088 0.000 2.570 167 Y HA 0.583 5.133 4.550 -0.000 0.000 0.345 167 Y C -0.156 175.796 175.900 0.086 0.000 1.014 167 Y CA -1.111 57.039 58.100 0.082 0.000 1.063 167 Y CB 2.279 40.739 38.460 0.000 0.000 1.272 167 Y HN 0.383 nan 8.280 nan 0.000 0.477 168 V N 4.319 124.355 119.914 0.203 0.000 2.350 168 V HA 0.486 4.606 4.120 -0.000 0.000 0.285 168 V C -0.317 175.786 176.094 0.016 0.000 1.014 168 V CA -0.663 61.653 62.300 0.027 0.000 0.831 168 V CB 0.608 32.425 31.823 -0.011 0.000 1.000 168 V HN 0.565 nan 8.190 nan 0.000 0.433 169 L N 3.595 124.809 121.223 -0.014 0.000 2.260 169 L HA 1.045 5.385 4.340 -0.000 0.000 0.265 169 L C 0.990 177.843 176.870 -0.029 0.000 1.015 169 L CA -0.267 54.549 54.840 -0.040 0.000 0.826 169 L CB 1.571 43.594 42.059 -0.059 0.000 1.373 169 L HN 0.832 nan 8.230 nan 0.000 0.450 170 G N 0.513 109.291 108.800 -0.036 0.000 2.484 170 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.225 170 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.225 170 G C -0.613 174.280 174.900 -0.010 0.000 1.250 170 G CA -0.107 44.977 45.100 -0.026 0.000 0.926 170 G HN 0.827 nan 8.290 nan 0.000 0.581 171 E N 0.519 120.716 120.200 -0.004 0.000 2.289 171 E HA 0.220 4.570 4.350 -0.000 0.000 0.278 171 E C 0.324 176.954 176.600 0.050 0.000 1.032 171 E CA -0.451 55.956 56.400 0.012 0.000 0.854 171 E CB 0.163 29.857 29.700 -0.010 0.000 1.046 171 E HN 0.621 nan 8.360 nan 0.000 0.409 172 H N 4.452 123.507 119.070 -0.026 0.000 3.356 172 H HA 0.248 4.804 4.556 -0.000 0.000 0.260 172 H C -0.244 175.076 175.328 -0.015 0.000 1.570 172 H CA 0.456 56.492 56.048 -0.019 0.000 1.547 172 H CB -0.379 29.375 29.762 -0.013 0.000 1.774 172 H HN 0.696 nan 8.280 nan 0.000 0.542 173 G N 3.321 112.028 108.800 -0.156 0.000 2.336 173 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.286 173 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.286 173 G C -0.023 174.817 174.900 -0.100 0.000 1.269 173 G CA -0.165 44.818 45.100 -0.195 0.000 0.873 173 G HN 0.419 nan 8.290 nan 0.000 0.494 174 D N -0.317 120.032 120.400 -0.085 0.000 2.203 174 D HA -0.154 4.485 4.640 -0.000 0.000 0.199 174 D C 2.446 178.716 176.300 -0.050 0.000 0.997 174 D CA 2.599 56.560 54.000 -0.065 0.000 0.863 174 D CB 0.163 40.927 40.800 -0.061 0.000 0.928 174 D HN 0.497 nan 8.370 nan 0.000 0.458 175 S N -0.465 115.210 115.700 -0.042 0.000 2.634 175 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 175 S C 0.352 174.935 174.600 -0.028 0.000 0.952 175 S CA -0.578 57.604 58.200 -0.030 0.000 0.930 175 S CB -0.497 62.689 63.200 -0.024 0.000 0.780 175 S HN 0.365 nan 8.310 nan 0.000 0.498 176 E N 0.979 121.159 120.200 -0.033 0.000 2.415 176 E HA 0.253 4.603 4.350 -0.000 0.000 0.262 176 E C -0.963 175.611 176.600 -0.044 0.000 1.038 176 E CA -0.618 55.763 56.400 -0.031 0.000 0.921 176 E CB 0.716 30.402 29.700 -0.023 0.000 0.950 176 E HN 0.112 nan 8.360 nan 0.000 0.438 177 V N 3.842 123.731 119.914 -0.042 0.000 2.347 177 V HA 0.147 4.267 4.120 -0.000 0.000 0.280 177 V C -0.259 175.780 176.094 -0.092 0.000 1.021 177 V CA -0.852 61.424 62.300 -0.040 0.000 0.847 177 V CB 0.883 32.702 31.823 -0.006 0.000 0.990 177 V HN 0.540 nan 8.190 nan 0.000 0.444 178 L N 5.824 126.949 121.223 -0.163 0.000 2.278 178 L HA 0.304 4.644 4.340 -0.000 0.000 0.287 178 L C 0.296 177.074 176.870 -0.153 0.000 1.072 178 L CA 0.308 54.894 54.840 -0.423 0.000 0.819 178 L CB 1.479 43.037 42.059 -0.835 0.000 1.176 178 L HN 0.462 nan 8.230 nan 0.000 0.435 179 V N 4.643 124.553 119.914 -0.006 0.000 2.229 179 V HA -0.035 4.084 4.120 -0.000 0.000 0.245 179 V C 0.629 176.846 176.094 0.205 0.000 1.243 179 V CA -0.087 62.298 62.300 0.142 0.000 1.176 179 V CB -0.957 30.978 31.823 0.186 0.000 1.323 179 V HN 0.820 nan 8.190 nan 0.000 0.499 180 W N 2.006 123.421 121.300 0.192 0.000 2.409 180 W HA -0.158 4.502 4.660 -0.000 0.000 0.299 180 W C 2.776 179.361 176.519 0.111 0.000 1.203 180 W CA 1.398 58.855 57.345 0.187 0.000 1.298 180 W CB -0.441 29.102 29.460 0.138 0.000 1.127 180 W HN 0.652 nan 8.180 nan 0.000 0.528 181 S N 0.486 116.386 115.700 0.333 0.000 2.368 181 S HA -0.272 4.198 4.470 -0.000 0.000 0.226 181 S C 1.718 176.414 174.600 0.160 0.000 1.044 181 S CA 2.086 60.409 58.200 0.205 0.000 1.062 181 S CB -1.194 62.098 63.200 0.154 0.000 0.931 181 S HN 0.194 nan 8.310 nan 0.000 0.440 182 S N 0.997 116.786 115.700 0.148 0.000 2.572 182 S HA 0.697 5.167 4.470 -0.000 0.000 0.228 182 S C 0.490 175.139 174.600 0.081 0.000 0.963 182 S CA -0.126 58.141 58.200 0.112 0.000 0.939 182 S CB -0.228 63.041 63.200 0.116 0.000 0.804 182 S HN 0.853 nan 8.310 nan 0.000 0.480 183 A N 1.637 124.500 122.820 0.072 0.000 2.540 183 A HA 0.382 4.702 4.320 -0.000 0.000 0.239 183 A C 0.264 177.825 177.584 -0.039 0.000 1.061 183 A CA 0.170 52.188 52.037 -0.033 0.000 0.758 183 A CB 0.117 19.068 19.000 -0.082 0.000 0.991 183 A HN 0.648 nan 8.150 nan 0.000 0.502 184 Q N 0.718 120.462 119.800 -0.095 0.000 2.372 184 Q HA 0.583 4.923 4.340 -0.000 0.000 0.273 184 Q C -1.552 174.336 176.000 -0.187 0.000 1.078 184 Q CA -0.787 54.963 55.803 -0.087 0.000 0.806 184 Q CB 2.648 31.361 28.738 -0.042 0.000 1.332 184 Q HN 0.509 nan 8.270 nan 0.000 0.435 185 V N 0.847 120.639 119.914 -0.203 0.000 2.483 185 V HA 0.485 4.605 4.120 -0.000 0.000 0.297 185 V C 0.761 176.716 176.094 -0.232 0.000 1.027 185 V CA -0.018 62.041 62.300 -0.401 0.000 0.855 185 V CB 1.264 32.586 31.823 -0.835 0.000 0.995 185 V HN 1.075 nan 8.190 nan 0.000 0.424 186 G N 3.496 112.152 108.800 -0.239 0.000 2.225 186 G HA2 0.015 3.975 3.960 -0.000 0.000 0.267 186 G HA3 0.015 3.975 3.960 -0.000 0.000 0.267 186 G C 1.148 176.018 174.900 -0.050 0.000 1.024 186 G CA 0.660 45.708 45.100 -0.087 0.000 0.784 186 G HN 2.392 nan 8.290 nan 0.000 0.507 187 G N -3.136 105.602 108.800 -0.103 0.000 2.143 187 G HA2 0.017 3.977 3.960 -0.000 0.000 0.248 187 G HA3 0.017 3.977 3.960 -0.000 0.000 0.248 187 G C 0.321 175.224 174.900 0.005 0.000 0.991 187 G CA 0.682 45.752 45.100 -0.049 0.000 0.689 187 G HN 1.644 nan 8.290 nan 0.000 0.522 188 V N 0.636 120.571 119.914 0.034 0.000 2.715 188 V HA 0.578 4.698 4.120 -0.000 0.000 0.310 188 V C -1.995 174.147 176.094 0.079 0.000 1.054 188 V CA -1.943 60.403 62.300 0.078 0.000 0.928 188 V CB 2.290 34.200 31.823 0.145 0.000 1.007 188 V HN 0.033 nan 8.190 nan 0.000 0.437 189 P HA -0.004 nan 4.420 nan 0.000 0.262 189 P C 0.647 178.014 177.300 0.112 0.000 1.182 189 P CA 0.073 63.221 63.100 0.080 0.000 0.761 189 P CB 0.498 32.242 31.700 0.074 0.000 0.795 190 L N 5.589 126.870 121.223 0.096 0.000 2.010 190 L HA -0.241 4.099 4.340 -0.000 0.000 0.219 190 L C 1.793 178.772 176.870 0.182 0.000 1.077 190 L CA 2.053 56.966 54.840 0.121 0.000 0.773 190 L CB -1.314 40.812 42.059 0.111 0.000 0.892 190 L HN 0.379 nan 8.230 nan 0.000 0.436 191 L N -0.954 120.360 121.223 0.152 0.000 2.131 191 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 191 L C 2.529 179.474 176.870 0.124 0.000 1.092 191 L CA 1.254 56.177 54.840 0.138 0.000 0.759 191 L CB -0.502 41.616 42.059 0.099 0.000 0.903 191 L HN 0.356 nan 8.230 nan 0.000 0.435 192 E N -0.111 120.160 120.200 0.118 0.000 2.031 192 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 192 E C 1.921 178.575 176.600 0.090 0.000 0.994 192 E CA 1.389 57.840 56.400 0.086 0.000 0.800 192 E CB -0.245 29.504 29.700 0.082 0.000 0.752 192 E HN 0.303 nan 8.360 nan 0.000 0.447 193 F N 0.632 120.594 119.950 0.020 0.000 2.126 193 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 193 F C 2.029 177.842 175.800 0.022 0.000 1.096 193 F CA 1.554 59.561 58.000 0.012 0.000 1.255 193 F CB -0.553 38.450 39.000 0.005 0.000 0.997 193 F HN 0.081 nan 8.300 nan 0.000 0.479 194 A N -0.198 122.803 122.820 0.302 0.000 1.908 194 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 194 A C 2.227 179.855 177.584 0.073 0.000 1.181 194 A CA 1.913 54.087 52.037 0.227 0.000 0.627 194 A CB -1.094 18.068 19.000 0.271 0.000 0.818 194 A HN 0.577 nan 8.150 nan 0.000 0.445 195 E N -0.068 120.158 120.200 0.044 0.000 2.058 195 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 195 E C 2.089 178.653 176.600 -0.059 0.000 0.997 195 E CA 1.203 57.602 56.400 -0.002 0.000 0.801 195 E CB -0.310 29.390 29.700 0.001 0.000 0.746 195 E HN 0.521 nan 8.360 nan 0.000 0.450 196 A N 0.721 123.469 122.820 -0.120 0.000 2.024 196 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 196 A C 2.125 179.594 177.584 -0.192 0.000 1.164 196 A CA 1.410 53.334 52.037 -0.188 0.000 0.643 196 A CB -0.337 18.472 19.000 -0.317 0.000 0.806 196 A HN 0.079 nan 8.150 nan 0.000 0.451 197 R N -1.177 119.216 120.500 -0.179 0.000 2.310 197 R HA 0.236 4.576 4.340 -0.000 0.000 0.202 197 R C 1.070 177.316 176.300 -0.090 0.000 0.933 197 R CA 0.691 56.717 56.100 -0.124 0.000 1.054 197 R CB -0.447 29.823 30.300 -0.050 0.000 0.985 197 R HN 0.760 nan 8.270 nan 0.000 0.489 198 G N 0.664 109.419 108.800 -0.076 0.000 2.182 198 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 198 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 198 G C -0.348 174.514 174.900 -0.063 0.000 1.042 198 G CA -0.119 44.944 45.100 -0.061 0.000 0.775 198 G HN 0.109 nan 8.290 nan 0.000 0.501 199 R N -0.514 119.958 120.500 -0.047 0.000 2.803 199 R HA 0.839 5.179 4.340 -0.000 0.000 0.276 199 R C -0.311 176.033 176.300 0.072 0.000 0.978 199 R CA -0.119 55.958 56.100 -0.038 0.000 0.939 199 R CB 2.045 32.253 30.300 -0.153 0.000 1.179 199 R HN 0.914 nan 8.270 nan 0.000 0.472 200 A N 2.995 125.891 122.820 0.126 0.000 2.410 200 A HA 0.349 4.669 4.320 -0.000 0.000 0.289 200 A C -0.306 177.391 177.584 0.188 0.000 1.200 200 A CA -0.633 51.481 52.037 0.128 0.000 0.751 200 A CB 0.626 19.667 19.000 0.069 0.000 1.161 200 A HN 0.666 nan 8.150 nan 0.000 0.459 201 L N 3.608 124.936 121.223 0.175 0.000 2.652 201 L HA 0.051 4.391 4.340 -0.000 0.000 0.284 201 L C 1.100 177.953 176.870 -0.028 0.000 1.204 201 L CA -0.150 54.733 54.840 0.072 0.000 1.105 201 L CB -0.347 41.712 42.059 0.000 0.000 1.393 201 L HN 0.897 nan 8.230 nan 0.000 0.452 202 S N 2.598 118.299 115.700 0.001 0.000 2.608 202 S HA 0.268 4.738 4.470 -0.000 0.000 0.261 202 S C -1.707 172.835 174.600 -0.097 0.000 1.314 202 S CA -1.243 56.938 58.200 -0.032 0.000 0.992 202 S CB 0.864 64.068 63.200 0.007 0.000 0.935 202 S HN 0.269 nan 8.310 nan 0.000 0.564 203 P HA -0.081 nan 4.420 nan 0.000 0.216 203 P C 1.198 178.440 177.300 -0.098 0.000 1.150 203 P CA 1.269 64.297 63.100 -0.120 0.000 0.837 203 P CB -0.002 31.648 31.700 -0.083 0.000 0.786 204 E N -0.471 119.697 120.200 -0.053 0.000 2.058 204 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 204 E C 1.640 178.225 176.600 -0.026 0.000 0.997 204 E CA 1.162 57.547 56.400 -0.026 0.000 0.801 204 E CB -0.541 29.159 29.700 0.001 0.000 0.746 204 E HN 0.299 nan 8.360 nan 0.000 0.450 205 D N 0.382 120.760 120.400 -0.036 0.000 2.117 205 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 205 D C 1.999 178.240 176.300 -0.098 0.000 0.987 205 D CA 0.971 54.936 54.000 -0.057 0.000 0.829 205 D CB -0.138 40.615 40.800 -0.078 0.000 0.961 205 D HN 0.108 nan 8.370 nan 0.000 0.460 206 R N 0.689 121.074 120.500 -0.192 0.000 2.075 206 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 206 R C 2.344 178.639 176.300 -0.007 0.000 1.126 206 R CA 1.224 57.160 56.100 -0.273 0.000 0.963 206 R CB -0.249 29.659 30.300 -0.654 0.000 0.858 206 R HN 0.081 nan 8.270 nan 0.000 0.435 207 A N 1.164 123.960 122.820 -0.040 0.000 1.933 207 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 207 A C 2.131 179.741 177.584 0.044 0.000 1.175 207 A CA 1.333 53.373 52.037 0.006 0.000 0.628 207 A CB -0.456 18.533 19.000 -0.018 0.000 0.814 207 A HN 0.242 nan 8.150 nan 0.000 0.444 208 R N -0.163 120.363 120.500 0.043 0.000 2.070 208 R HA -0.085 4.255 4.340 -0.000 0.000 0.233 208 R C 1.915 178.269 176.300 0.089 0.000 1.137 208 R CA 1.930 58.065 56.100 0.058 0.000 0.945 208 R CB -0.393 29.942 30.300 0.057 0.000 0.845 208 R HN 0.534 nan 8.270 nan 0.000 0.430 209 I N 0.632 121.283 120.570 0.134 0.000 2.315 209 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 209 I C 1.976 178.192 176.117 0.165 0.000 1.117 209 I CA 1.527 62.939 61.300 0.187 0.000 1.404 209 I CB -0.411 37.776 38.000 0.313 0.000 1.071 209 I HN 0.334 nan 8.210 nan 0.000 0.419 210 D N 0.960 121.476 120.400 0.192 0.000 2.117 210 D HA -0.279 4.361 4.640 -0.000 0.000 0.197 210 D C 2.144 178.466 176.300 0.036 0.000 0.987 210 D CA 1.371 55.434 54.000 0.105 0.000 0.829 210 D CB 0.070 40.948 40.800 0.130 0.000 0.961 210 D HN 0.309 nan 8.370 nan 0.000 0.460 211 E N -0.765 119.462 120.200 0.045 0.000 2.106 211 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 211 E C 2.138 178.760 176.600 0.037 0.000 0.984 211 E CA 1.112 57.529 56.400 0.027 0.000 0.806 211 E CB -0.380 29.336 29.700 0.028 0.000 0.750 211 E HN 0.376 nan 8.360 nan 0.000 0.458 212 G N 0.166 108.998 108.800 0.053 0.000 2.448 212 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 212 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 212 G C 1.496 176.425 174.900 0.048 0.000 1.127 212 G CA 0.920 46.055 45.100 0.058 0.000 0.766 212 G HN 0.228 nan 8.290 nan 0.000 0.552 213 V N -0.242 119.686 119.914 0.023 0.000 2.436 213 V HA 0.096 4.216 4.120 -0.000 0.000 0.240 213 V C 2.619 178.710 176.094 -0.006 0.000 1.040 213 V CA 1.325 63.624 62.300 -0.003 0.000 1.052 213 V CB -0.274 31.493 31.823 -0.092 0.000 0.707 213 V HN 0.293 nan 8.190 nan 0.000 0.469 214 R N 0.162 120.646 120.500 -0.026 0.000 2.092 214 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 214 R C 1.931 178.228 176.300 -0.004 0.000 1.119 214 R CA 1.117 57.200 56.100 -0.028 0.000 0.970 214 R CB 0.080 30.353 30.300 -0.045 0.000 0.864 214 R HN 0.270 nan 8.270 nan 0.000 0.440 215 R N -0.359 120.152 120.500 0.018 0.000 2.388 215 R HA 0.198 4.538 4.340 -0.000 0.000 0.247 215 R C 1.347 177.727 176.300 0.133 0.000 0.931 215 R CA 0.495 56.635 56.100 0.067 0.000 1.082 215 R CB 0.401 30.722 30.300 0.035 0.000 1.135 215 R HN 0.213 nan 8.270 nan 0.000 0.525 216 A N 1.507 124.379 122.820 0.086 0.000 1.845 216 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 216 A C 2.325 179.955 177.584 0.077 0.000 1.195 216 A CA 1.868 53.953 52.037 0.079 0.000 0.616 216 A CB -0.584 18.454 19.000 0.063 0.000 0.832 216 A HN 0.291 nan 8.150 nan 0.000 0.443 217 A N -1.467 121.398 122.820 0.076 0.000 1.917 217 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 217 A C 2.156 179.772 177.584 0.055 0.000 1.182 217 A CA 1.932 54.003 52.037 0.056 0.000 0.633 217 A CB -0.954 18.072 19.000 0.044 0.000 0.819 217 A HN 0.834 nan 8.150 nan 0.000 0.448 218 Y N 0.544 120.833 120.300 -0.019 0.000 2.097 218 Y HA -0.260 4.290 4.550 -0.000 0.000 0.282 218 Y C 2.515 178.410 175.900 -0.008 0.000 1.152 218 Y CA 2.280 60.370 58.100 -0.017 0.000 1.136 218 Y CB -0.350 38.099 38.460 -0.019 0.000 0.975 218 Y HN 0.260 nan 8.280 nan 0.000 0.498 219 R N 0.018 120.524 120.500 0.009 0.000 2.105 219 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 219 R C 2.272 178.502 176.300 -0.117 0.000 1.135 219 R CA 1.985 58.043 56.100 -0.070 0.000 0.967 219 R CB -0.474 29.861 30.300 0.058 0.000 0.861 219 R HN 0.445 nan 8.270 nan 0.000 0.442 220 I N 0.584 121.110 120.570 -0.073 0.000 2.163 220 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 220 I C 2.203 178.260 176.117 -0.100 0.000 1.081 220 I CA 0.974 62.230 61.300 -0.072 0.000 1.353 220 I CB -0.331 37.636 38.000 -0.054 0.000 1.054 220 I HN 0.078 nan 8.210 nan 0.000 0.407 221 I N 1.043 121.544 120.570 -0.115 0.000 2.194 221 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 221 I C 2.562 178.587 176.117 -0.154 0.000 1.093 221 I CA 1.853 63.086 61.300 -0.113 0.000 1.355 221 I CB -1.277 36.654 38.000 -0.115 0.000 1.046 221 I HN 0.413 nan 8.210 nan 0.000 0.413 222 E N 0.704 120.743 120.200 -0.268 0.000 2.204 222 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 222 E C 2.221 178.736 176.600 -0.142 0.000 0.989 222 E CA 1.318 57.561 56.400 -0.262 0.000 0.824 222 E CB -0.151 29.286 29.700 -0.439 0.000 0.756 222 E HN 0.481 nan 8.360 nan 0.000 0.477 223 G N 0.601 109.334 108.800 -0.111 0.000 2.545 223 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.212 223 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.212 223 G C 1.301 176.180 174.900 -0.036 0.000 1.144 223 G CA 0.528 45.592 45.100 -0.060 0.000 0.813 223 G HN 0.316 nan 8.290 nan 0.000 0.531 224 K N -1.256 119.123 120.400 -0.036 0.000 2.477 224 K HA 0.441 4.761 4.320 -0.000 0.000 0.208 224 K C 1.368 177.976 176.600 0.013 0.000 1.117 224 K CA 0.587 56.872 56.287 -0.003 0.000 1.039 224 K CB 0.878 33.379 32.500 0.002 0.000 0.937 224 K HN 0.379 nan 8.250 nan 0.000 0.570 225 G N 0.804 109.596 108.800 -0.014 0.000 2.284 225 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.247 225 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.247 225 G C 0.217 175.128 174.900 0.017 0.000 1.012 225 G CA 0.040 45.138 45.100 -0.003 0.000 0.618 225 G HN 0.879 nan 8.290 nan 0.000 0.521 226 A N -1.515 121.333 122.820 0.047 0.000 2.566 226 A HA 0.943 5.263 4.320 -0.000 0.000 0.290 226 A C -0.229 177.382 177.584 0.045 0.000 1.071 226 A CA 0.788 52.873 52.037 0.081 0.000 0.658 226 A CB 0.706 19.791 19.000 0.142 0.000 1.285 226 A HN 1.908 nan 8.150 nan 0.000 0.427 227 T N -1.594 112.988 114.554 0.046 0.000 2.856 227 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 227 T C -0.078 174.642 174.700 0.033 0.000 1.008 227 T CA 0.336 62.383 62.100 -0.088 0.000 0.997 227 T CB 1.092 69.947 68.868 -0.022 0.000 0.992 227 T HN 1.704 nan 8.240 nan 0.000 0.454 228 Y N -0.906 119.341 120.300 -0.088 0.000 2.510 228 Y HA 0.261 4.811 4.550 -0.000 0.000 0.285 228 Y C 1.504 177.397 175.900 -0.013 0.000 1.089 228 Y CA -0.762 57.277 58.100 -0.101 0.000 1.007 228 Y CB -0.409 37.928 38.460 -0.207 0.000 1.372 228 Y HN 0.477 nan 8.280 nan 0.000 0.563 229 Y N 2.445 122.676 120.300 -0.115 0.000 2.097 229 Y HA -0.015 4.535 4.550 -0.000 0.000 0.282 229 Y C 2.722 178.628 175.900 0.009 0.000 1.152 229 Y CA 1.708 59.809 58.100 0.000 0.000 1.136 229 Y CB -1.100 37.309 38.460 -0.086 0.000 0.975 229 Y HN 0.367 nan 8.280 nan 0.000 0.498 230 G N -0.375 108.507 108.800 0.136 0.000 2.421 230 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 230 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 230 G C 1.710 176.650 174.900 0.068 0.000 1.171 230 G CA 1.124 46.273 45.100 0.082 0.000 0.775 230 G HN 0.378 nan 8.290 nan 0.000 0.543 231 I N 1.809 122.418 120.570 0.064 0.000 2.439 231 I HA 0.105 4.275 4.170 -0.000 0.000 0.251 231 I C 2.676 178.824 176.117 0.052 0.000 1.139 231 I CA 1.197 62.522 61.300 0.041 0.000 1.438 231 I CB -0.646 37.379 38.000 0.040 0.000 1.085 231 I HN 0.086 nan 8.210 nan 0.000 0.427 232 G N 0.126 108.985 108.800 0.099 0.000 2.446 232 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 232 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 232 G C 1.726 176.668 174.900 0.071 0.000 1.168 232 G CA 0.796 45.958 45.100 0.104 0.000 0.771 232 G HN 0.567 nan 8.290 nan 0.000 0.551 233 A N 0.684 123.548 122.820 0.074 0.000 1.929 233 A HA 0.248 4.568 4.320 -0.000 0.000 0.216 233 A C 2.695 180.285 177.584 0.009 0.000 1.176 233 A CA 1.894 53.954 52.037 0.039 0.000 0.628 233 A CB -0.931 18.095 19.000 0.042 0.000 0.816 233 A HN 0.510 nan 8.150 nan 0.000 0.444 234 G N -0.322 108.482 108.800 0.008 0.000 2.422 234 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 234 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 234 G C 1.381 176.245 174.900 -0.061 0.000 1.146 234 G CA 1.092 46.179 45.100 -0.021 0.000 0.769 234 G HN 0.327 nan 8.290 nan 0.000 0.547 235 L N 1.366 122.563 121.223 -0.043 0.000 2.027 235 L HA 0.126 4.466 4.340 -0.000 0.000 0.206 235 L C 3.247 180.076 176.870 -0.068 0.000 1.074 235 L CA 1.620 56.425 54.840 -0.058 0.000 0.745 235 L CB -1.149 40.894 42.059 -0.027 0.000 0.898 235 L HN 0.291 nan 8.230 nan 0.000 0.433 236 A N -0.914 121.882 122.820 -0.041 0.000 1.940 236 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 236 A C 2.458 180.002 177.584 -0.066 0.000 1.176 236 A CA 1.845 53.856 52.037 -0.043 0.000 0.631 236 A CB -0.460 18.526 19.000 -0.022 0.000 0.814 236 A HN 0.337 nan 8.150 nan 0.000 0.446 237 R N -0.809 119.645 120.500 -0.077 0.000 2.075 237 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 237 R C 1.760 177.937 176.300 -0.205 0.000 1.126 237 R CA 1.160 57.202 56.100 -0.097 0.000 0.963 237 R CB -0.742 29.521 30.300 -0.063 0.000 0.858 237 R HN 0.376 nan 8.270 nan 0.000 0.435 238 L N -0.288 120.775 121.223 -0.267 0.000 2.046 238 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 238 L C 2.251 179.002 176.870 -0.198 0.000 1.077 238 L CA 1.350 55.986 54.840 -0.340 0.000 0.747 238 L CB -0.793 41.102 42.059 -0.273 0.000 0.896 238 L HN 0.027 nan 8.230 nan 0.000 0.432 239 V N -0.537 119.300 119.914 -0.127 0.000 2.287 239 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 239 V C 2.712 178.764 176.094 -0.070 0.000 1.053 239 V CA 1.997 64.248 62.300 -0.083 0.000 1.027 239 V CB -0.662 31.124 31.823 -0.061 0.000 0.646 239 V HN 0.457 nan 8.190 nan 0.000 0.447 240 R N 0.489 120.947 120.500 -0.069 0.000 2.091 240 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 240 R C 2.238 178.521 176.300 -0.029 0.000 1.136 240 R CA 1.796 57.870 56.100 -0.044 0.000 0.959 240 R CB -0.546 29.733 30.300 -0.035 0.000 0.856 240 R HN 0.475 nan 8.270 nan 0.000 0.437 241 A N 0.638 123.428 122.820 -0.049 0.000 1.972 241 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 241 A C 2.124 179.706 177.584 -0.004 0.000 1.169 241 A CA 1.480 53.517 52.037 -0.000 0.000 0.635 241 A CB -0.426 18.551 19.000 -0.037 0.000 0.810 241 A HN 0.409 nan 8.150 nan 0.000 0.446 242 I N -1.272 119.276 120.570 -0.036 0.000 2.333 242 I HA -0.144 4.026 4.170 -0.000 0.000 0.246 242 I C 2.118 178.228 176.117 -0.012 0.000 1.106 242 I CA 0.541 61.827 61.300 -0.023 0.000 1.411 242 I CB -0.233 37.745 38.000 -0.037 0.000 1.082 242 I HN 0.192 nan 8.210 nan 0.000 0.420 243 L N 0.600 121.812 121.223 -0.017 0.000 2.131 243 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 243 L C 2.439 179.307 176.870 -0.002 0.000 1.092 243 L CA 2.155 56.988 54.840 -0.011 0.000 0.759 243 L CB -1.039 41.010 42.059 -0.016 0.000 0.903 243 L HN 0.407 nan 8.230 nan 0.000 0.435 244 T N -5.478 109.077 114.554 0.002 0.000 3.145 244 T HA 0.121 4.471 4.350 -0.000 0.000 0.255 244 T C 0.717 175.426 174.700 0.016 0.000 1.039 244 T CA 0.174 62.279 62.100 0.009 0.000 0.928 244 T CB -0.266 68.608 68.868 0.011 0.000 1.029 244 T HN 0.204 nan 8.240 nan 0.000 0.554 245 D N 1.750 122.160 120.400 0.016 0.000 2.701 245 D HA -0.216 4.424 4.640 -0.000 0.000 0.235 245 D C 0.794 177.113 176.300 0.031 0.000 1.155 245 D CA 1.001 55.014 54.000 0.021 0.000 0.649 245 D CB -1.295 39.515 40.800 0.016 0.000 1.050 245 D HN 0.779 nan 8.370 nan 0.000 0.425 246 E N 0.915 121.141 120.200 0.044 0.000 2.130 246 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 246 E C 0.526 177.159 176.600 0.055 0.000 0.998 246 E CA 1.579 58.013 56.400 0.057 0.000 0.806 246 E CB 0.122 29.878 29.700 0.093 0.000 0.738 246 E HN 0.323 nan 8.360 nan 0.000 0.459 247 K N -0.899 119.539 120.400 0.063 0.000 3.192 247 K HA -0.137 4.183 4.320 -0.000 0.000 0.278 247 K C 0.008 176.632 176.600 0.040 0.000 1.164 247 K CA 0.839 57.154 56.287 0.047 0.000 0.816 247 K CB -2.601 29.915 32.500 0.026 0.000 1.256 247 K HN 0.341 nan 8.250 nan 0.000 0.497 248 G N -0.028 108.826 108.800 0.090 0.000 2.572 248 G HA2 0.460 4.420 3.960 -0.000 0.000 0.261 248 G HA3 0.460 4.420 3.960 -0.000 0.000 0.261 248 G C -0.106 174.713 174.900 -0.134 0.000 1.197 248 G CA -0.550 44.533 45.100 -0.027 0.000 0.870 248 G HN 0.032 nan 8.290 nan 0.000 0.548 249 V N 1.121 120.796 119.914 -0.398 0.000 2.370 249 V HA 0.458 4.578 4.120 -0.000 0.000 0.279 249 V C -0.952 174.797 176.094 -0.575 0.000 1.029 249 V CA -0.310 61.798 62.300 -0.319 0.000 0.870 249 V CB 0.229 31.926 31.823 -0.209 0.000 0.984 249 V HN 0.592 nan 8.190 nan 0.000 0.451 250 Y N 1.167 121.444 120.300 -0.039 0.000 2.524 250 Y HA 0.460 5.010 4.550 -0.000 0.000 0.347 250 Y C 0.638 176.498 175.900 -0.066 0.000 1.005 250 Y CA -1.130 56.953 58.100 -0.028 0.000 1.025 250 Y CB 2.161 40.601 38.460 -0.033 0.000 1.275 250 Y HN 0.591 nan 8.280 nan 0.000 0.460 251 T N 0.329 114.947 114.554 0.106 0.000 3.364 251 T HA 0.523 4.873 4.350 -0.000 0.000 0.323 251 T C -0.353 174.347 174.700 0.001 0.000 1.323 251 T CA -0.538 61.558 62.100 -0.007 0.000 1.073 251 T CB -1.395 67.478 68.868 0.009 0.000 1.150 251 T HN 0.498 nan 8.240 nan 0.000 0.727 252 V N -0.130 119.778 119.914 -0.010 0.000 2.881 252 V HA 0.798 4.918 4.120 -0.000 0.000 0.316 252 V C 0.321 176.387 176.094 -0.047 0.000 1.070 252 V CA -1.163 61.120 62.300 -0.027 0.000 0.976 252 V CB 1.653 33.464 31.823 -0.020 0.000 1.038 252 V HN 0.594 nan 8.190 nan 0.000 0.446 253 S N 1.498 117.174 115.700 -0.041 0.000 2.565 253 S HA 0.818 5.288 4.470 -0.000 0.000 0.274 253 S C -0.122 174.461 174.600 -0.028 0.000 1.309 253 S CA 0.381 58.560 58.200 -0.036 0.000 1.043 253 S CB 0.473 63.663 63.200 -0.018 0.000 0.939 253 S HN 2.025 nan 8.310 nan 0.000 0.504 254 A N 3.469 126.265 122.820 -0.039 0.000 2.608 254 A HA 0.568 4.888 4.320 -0.000 0.000 0.292 254 A C -1.074 176.482 177.584 -0.046 0.000 1.066 254 A CA -0.824 51.196 52.037 -0.028 0.000 0.676 254 A CB 0.387 19.363 19.000 -0.040 0.000 1.277 254 A HN 0.880 nan 8.150 nan 0.000 0.413 255 F N 2.028 121.826 119.950 -0.254 0.000 2.590 255 F HA 0.412 4.939 4.527 -0.000 0.000 0.389 255 F C 0.415 176.060 175.800 -0.260 0.000 1.049 255 F CA 1.248 59.038 58.000 -0.350 0.000 1.199 255 F CB 0.515 38.992 39.000 -0.872 0.000 1.058 255 F HN 0.440 nan 8.300 nan 0.000 0.556 256 T N 8.839 122.965 114.554 -0.714 0.000 2.779 256 T HA 0.255 4.605 4.350 -0.000 0.000 0.280 256 T C -1.861 172.434 174.700 -0.675 0.000 0.987 256 T CA -1.092 60.700 62.100 -0.514 0.000 0.966 256 T CB 1.814 70.502 68.868 -0.300 0.000 0.933 256 T HN 0.338 nan 8.240 nan 0.000 0.442 257 P HA -0.041 nan 4.420 nan 0.000 0.215 257 P C 0.301 177.482 177.300 -0.199 0.000 1.157 257 P CA 1.075 64.014 63.100 -0.268 0.000 0.868 257 P CB 0.407 32.056 31.700 -0.084 0.000 0.788 258 E N -0.828 119.286 120.200 -0.143 0.000 2.321 258 E HA 0.363 4.713 4.350 -0.000 0.000 0.281 258 E C -2.056 174.504 176.600 -0.065 0.000 0.910 258 E CA -0.762 55.583 56.400 -0.093 0.000 0.770 258 E CB 2.252 31.923 29.700 -0.049 0.000 1.225 258 E HN -0.213 nan 8.360 nan 0.000 0.417 259 V N 4.332 124.208 119.914 -0.064 0.000 2.509 259 V HA 0.340 4.460 4.120 -0.000 0.000 0.289 259 V C -0.689 175.389 176.094 -0.026 0.000 1.026 259 V CA -0.149 62.129 62.300 -0.037 0.000 0.872 259 V CB 1.103 32.889 31.823 -0.060 0.000 1.017 259 V HN 0.886 nan 8.190 nan 0.000 0.436 260 E N 4.661 124.855 120.200 -0.010 0.000 2.320 260 E HA -0.158 4.192 4.350 -0.000 0.000 0.234 260 E C 1.101 177.697 176.600 -0.008 0.000 1.183 260 E CA 1.866 58.262 56.400 -0.006 0.000 0.713 260 E CB -1.249 28.449 29.700 -0.002 0.000 1.226 260 E HN 2.063 nan 8.360 nan 0.000 0.382 261 G N -2.373 106.421 108.800 -0.010 0.000 2.358 261 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.224 261 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.224 261 G C 0.304 175.201 174.900 -0.005 0.000 1.073 261 G CA -0.166 44.932 45.100 -0.004 0.000 0.635 261 G HN 0.710 nan 8.290 nan 0.000 0.509 262 V N 3.345 123.248 119.914 -0.019 0.000 2.455 262 V HA 0.511 4.631 4.120 -0.000 0.000 0.273 262 V C 1.024 177.080 176.094 -0.063 0.000 1.045 262 V CA -0.121 62.161 62.300 -0.030 0.000 0.976 262 V CB 1.101 32.899 31.823 -0.042 0.000 0.993 262 V HN 0.410 nan 8.190 nan 0.000 0.475 263 L N 4.077 125.272 121.223 -0.048 0.000 2.399 263 L HA 0.424 4.764 4.340 -0.000 0.000 0.266 263 L C 0.705 177.491 176.870 -0.139 0.000 1.114 263 L CA -0.671 54.127 54.840 -0.071 0.000 0.804 263 L CB 0.399 42.459 42.059 0.002 0.000 1.146 263 L HN 0.665 nan 8.230 nan 0.000 0.451 264 E N 0.493 120.554 120.200 -0.232 0.000 2.446 264 E HA -0.183 4.167 4.350 -0.000 0.000 0.162 264 E C -0.894 175.509 176.600 -0.329 0.000 1.797 264 E CA 0.165 56.326 56.400 -0.399 0.000 0.619 264 E CB -0.479 29.291 29.700 0.116 0.000 1.050 264 E HN 0.305 nan 8.360 nan 0.000 0.321 265 V N 1.376 120.991 119.914 -0.498 0.000 3.147 265 V HA 0.415 4.535 4.120 -0.000 0.000 0.299 265 V C -1.020 174.934 176.094 -0.235 0.000 1.302 265 V CA -0.512 61.644 62.300 -0.239 0.000 1.015 265 V CB 2.827 34.540 31.823 -0.183 0.000 1.086 265 V HN 0.319 nan 8.190 nan 0.000 0.437 266 S N 6.238 121.893 115.700 -0.075 0.000 2.442 266 S HA 0.861 5.331 4.470 -0.000 0.000 0.297 266 S C -0.566 174.002 174.600 -0.053 0.000 1.131 266 S CA -0.458 57.712 58.200 -0.050 0.000 1.092 266 S CB 0.874 64.098 63.200 0.040 0.000 0.998 266 S HN 0.995 nan 8.310 nan 0.000 0.478 267 L N -0.078 121.103 121.223 -0.069 0.000 2.765 267 L HA 0.711 5.051 4.340 -0.000 0.000 0.263 267 L C -1.078 175.753 176.870 -0.064 0.000 1.068 267 L CA -0.993 53.815 54.840 -0.054 0.000 0.903 267 L CB 1.498 43.521 42.059 -0.060 0.000 1.512 267 L HN 0.378 nan 8.230 nan 0.000 0.404 268 S N 1.475 117.143 115.700 -0.054 0.000 2.513 268 S HA 0.776 5.246 4.470 -0.000 0.000 0.276 268 S C -0.335 174.197 174.600 -0.113 0.000 1.254 268 S CA -0.437 57.720 58.200 -0.072 0.000 1.053 268 S CB 0.687 63.858 63.200 -0.047 0.000 0.958 268 S HN 0.407 nan 8.310 nan 0.000 0.491 269 L N 3.272 124.401 121.223 -0.158 0.000 2.376 269 L HA 0.492 4.832 4.340 -0.000 0.000 0.258 269 L C -2.734 173.957 176.870 -0.297 0.000 1.013 269 L CA -2.860 51.832 54.840 -0.246 0.000 0.822 269 L CB 2.360 44.258 42.059 -0.267 0.000 1.388 269 L HN 0.316 nan 8.230 nan 0.000 0.413 270 P HA 0.199 nan 4.420 nan 0.000 0.265 270 P C -1.278 175.840 177.300 -0.302 0.000 1.222 270 P CA 0.129 62.941 63.100 -0.480 0.000 0.767 270 P CB 0.369 31.563 31.700 -0.842 0.000 0.801 271 R N 3.111 123.512 120.500 -0.165 0.000 2.750 271 R HA 0.546 4.886 4.340 -0.000 0.000 0.281 271 R C -0.295 175.986 176.300 -0.032 0.000 0.972 271 R CA -1.060 54.975 56.100 -0.109 0.000 0.912 271 R CB 1.970 32.222 30.300 -0.081 0.000 1.187 271 R HN 0.396 nan 8.270 nan 0.000 0.464 272 I N 3.302 123.853 120.570 -0.031 0.000 2.337 272 I HA 0.101 4.271 4.170 -0.000 0.000 0.291 272 I C -0.515 175.629 176.117 0.046 0.000 1.046 272 I CA -0.446 60.858 61.300 0.007 0.000 1.324 272 I CB 0.706 38.700 38.000 -0.009 0.000 1.409 272 I HN 0.213 nan 8.210 nan 0.000 0.494 273 L N 7.652 128.942 121.223 0.111 0.000 2.280 273 L HA 0.739 5.079 4.340 -0.000 0.000 0.287 273 L C 0.160 177.074 176.870 0.074 0.000 1.023 273 L CA 0.336 55.234 54.840 0.096 0.000 0.819 273 L CB 1.030 43.164 42.059 0.125 0.000 1.212 273 L HN 0.592 nan 8.230 nan 0.000 0.420 274 G N 2.392 111.215 108.800 0.039 0.000 3.251 274 G HA2 0.565 4.524 3.960 -0.000 0.000 0.248 274 G HA3 0.565 4.524 3.960 -0.000 0.000 0.248 274 G C 0.373 175.281 174.900 0.015 0.000 1.320 274 G CA -0.084 45.033 45.100 0.029 0.000 0.982 274 G HN 0.765 nan 8.290 nan 0.000 0.575 275 A N -0.948 121.880 122.820 0.013 0.000 1.930 275 A HA 0.194 4.513 4.320 -0.000 0.000 0.217 275 A C 2.258 179.846 177.584 0.006 0.000 1.175 275 A CA 2.230 54.271 52.037 0.007 0.000 0.627 275 A CB -0.765 18.240 19.000 0.008 0.000 0.815 275 A HN 1.236 nan 8.150 nan 0.000 0.443 276 G N -1.727 107.079 108.800 0.010 0.000 3.088 276 G HA2 0.458 4.418 3.960 -0.000 0.000 0.212 276 G HA3 0.458 4.418 3.960 -0.000 0.000 0.212 276 G C 0.886 175.793 174.900 0.012 0.000 1.173 276 G CA 0.632 45.739 45.100 0.011 0.000 0.779 276 G HN 1.574 nan 8.290 nan 0.000 0.540 277 G N -1.007 107.798 108.800 0.009 0.000 2.451 277 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.208 277 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.208 277 G C -0.274 174.633 174.900 0.010 0.000 1.248 277 G CA -0.393 44.711 45.100 0.006 0.000 0.989 277 G HN 0.650 nan 8.290 nan 0.000 0.559 278 V N 1.549 121.467 119.914 0.007 0.000 2.540 278 V HA 0.321 4.441 4.120 -0.000 0.000 0.297 278 V C 1.462 177.560 176.094 0.006 0.000 1.024 278 V CA 1.872 64.175 62.300 0.004 0.000 1.105 278 V CB 1.376 33.193 31.823 -0.010 0.000 0.938 278 V HN 0.809 nan 8.190 nan 0.000 0.482 279 E N 3.045 123.249 120.200 0.006 0.000 2.526 279 E HA 0.378 4.728 4.350 -0.000 0.000 0.208 279 E C 0.533 177.136 176.600 0.004 0.000 0.997 279 E CA 0.539 56.944 56.400 0.009 0.000 0.961 279 E CB 0.790 30.498 29.700 0.014 0.000 1.030 279 E HN 0.893 nan 8.360 nan 0.000 0.483 280 G N -0.601 108.191 108.800 -0.013 0.000 2.368 280 G HA2 0.242 4.202 3.960 -0.000 0.000 0.293 280 G HA3 0.242 4.202 3.960 -0.000 0.000 0.293 280 G C -1.154 173.700 174.900 -0.077 0.000 1.467 280 G CA -0.679 44.409 45.100 -0.020 0.000 0.804 280 G HN -0.050 nan 8.290 nan 0.000 0.535 281 T N 0.022 114.509 114.554 -0.112 0.000 2.861 281 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 281 T C -0.450 174.017 174.700 -0.388 0.000 1.003 281 T CA -0.448 61.461 62.100 -0.318 0.000 0.977 281 T CB 1.897 70.463 68.868 -0.504 0.000 0.996 281 T HN 0.602 nan 8.240 nan 0.000 0.448 282 V N 3.685 123.346 119.914 -0.422 0.000 2.370 282 V HA 0.340 4.460 4.120 -0.000 0.000 0.279 282 V C -1.106 174.743 176.094 -0.408 0.000 1.029 282 V CA -0.808 61.330 62.300 -0.269 0.000 0.870 282 V CB 0.473 32.195 31.823 -0.169 0.000 0.984 282 V HN 0.829 nan 8.190 nan 0.000 0.451 283 Y N 6.311 126.574 120.300 -0.062 0.000 2.700 283 Y HA 0.420 4.970 4.550 -0.000 0.000 0.333 283 Y C -1.302 174.586 175.900 -0.020 0.000 1.036 283 Y CA -2.556 55.510 58.100 -0.056 0.000 1.287 283 Y CB 0.148 38.585 38.460 -0.038 0.000 1.132 283 Y HN 0.526 nan 8.280 nan 0.000 0.510 284 P HA 0.049 nan 4.420 nan 0.000 0.272 284 P C -0.039 177.334 177.300 0.121 0.000 1.230 284 P CA -0.343 62.832 63.100 0.125 0.000 0.788 284 P CB 1.440 33.242 31.700 0.169 0.000 0.949 285 S N 0.960 116.730 115.700 0.117 0.000 2.531 285 S HA 0.270 4.740 4.470 -0.000 0.000 0.279 285 S C -0.275 174.383 174.600 0.098 0.000 1.305 285 S CA -0.416 57.841 58.200 0.095 0.000 1.058 285 S CB -0.595 62.656 63.200 0.084 0.000 0.899 285 S HN 0.295 nan 8.310 nan 0.000 0.493 286 L N 4.477 125.749 121.223 0.082 0.000 2.346 286 L HA 0.525 4.865 4.340 -0.000 0.000 0.274 286 L C 0.273 177.184 176.870 0.069 0.000 1.007 286 L CA -0.053 54.835 54.840 0.080 0.000 0.818 286 L CB 1.955 44.054 42.059 0.067 0.000 1.284 286 L HN 0.850 nan 8.230 nan 0.000 0.424 287 S N 2.867 118.612 115.700 0.075 0.000 2.617 287 S HA 0.461 4.931 4.470 -0.000 0.000 0.269 287 S C -1.963 172.667 174.600 0.049 0.000 1.292 287 S CA -0.913 57.325 58.200 0.062 0.000 1.010 287 S CB 1.044 64.286 63.200 0.071 0.000 0.944 287 S HN 0.521 nan 8.310 nan 0.000 0.536 288 P HA -0.178 nan 4.420 nan 0.000 0.217 288 P C 1.084 178.402 177.300 0.029 0.000 1.162 288 P CA 1.689 64.806 63.100 0.029 0.000 0.901 288 P CB -0.047 31.666 31.700 0.022 0.000 0.793 289 E N -0.435 119.784 120.200 0.032 0.000 2.118 289 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 289 E C 1.947 178.570 176.600 0.039 0.000 0.992 289 E CA 1.247 57.666 56.400 0.031 0.000 0.804 289 E CB -0.687 29.031 29.700 0.030 0.000 0.741 289 E HN 0.454 nan 8.360 nan 0.000 0.458 290 E N 0.268 120.501 120.200 0.054 0.000 2.106 290 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 290 E C 2.115 178.740 176.600 0.041 0.000 0.984 290 E CA 0.615 57.051 56.400 0.060 0.000 0.806 290 E CB -0.037 29.713 29.700 0.084 0.000 0.750 290 E HN 0.153 nan 8.360 nan 0.000 0.458 291 R N 0.955 121.478 120.500 0.037 0.000 2.075 291 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 291 R C 2.389 178.700 176.300 0.018 0.000 1.126 291 R CA 1.560 57.676 56.100 0.027 0.000 0.963 291 R CB -0.183 30.133 30.300 0.026 0.000 0.858 291 R HN 0.360 nan 8.270 nan 0.000 0.435 292 E N 0.487 120.698 120.200 0.018 0.000 2.152 292 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 292 E C 1.829 178.436 176.600 0.010 0.000 0.983 292 E CA 1.048 57.455 56.400 0.013 0.000 0.818 292 E CB -0.126 29.581 29.700 0.012 0.000 0.758 292 E HN 0.254 nan 8.360 nan 0.000 0.467 293 A N 1.525 124.354 122.820 0.014 0.000 1.969 293 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 293 A C 2.181 179.768 177.584 0.004 0.000 1.169 293 A CA 1.011 53.054 52.037 0.010 0.000 0.635 293 A CB -0.427 18.583 19.000 0.017 0.000 0.810 293 A HN 0.300 nan 8.150 nan 0.000 0.445 294 L N -0.798 120.429 121.223 0.005 0.000 2.179 294 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 294 L C 2.329 179.195 176.870 -0.008 0.000 1.096 294 L CA 1.533 56.371 54.840 -0.003 0.000 0.779 294 L CB -0.410 41.648 42.059 -0.000 0.000 0.922 294 L HN 0.343 nan 8.230 nan 0.000 0.443 295 R N 0.054 120.552 120.500 -0.002 0.000 2.062 295 R HA -0.138 4.202 4.340 -0.000 0.000 0.229 295 R C 2.450 178.748 176.300 -0.004 0.000 1.128 295 R CA 1.527 57.624 56.100 -0.004 0.000 0.960 295 R CB -0.378 29.923 30.300 0.002 0.000 0.855 295 R HN 0.391 nan 8.270 nan 0.000 0.432 296 R N 0.027 120.527 120.500 -0.001 0.000 2.105 296 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 296 R C 2.297 178.594 176.300 -0.005 0.000 1.135 296 R CA 1.956 58.056 56.100 -0.000 0.000 0.967 296 R CB -0.339 29.961 30.300 0.001 0.000 0.861 296 R HN 0.147 nan 8.270 nan 0.000 0.442 297 S N -0.408 115.286 115.700 -0.010 0.000 2.368 297 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 297 S C 1.928 176.516 174.600 -0.021 0.000 1.029 297 S CA 1.053 59.244 58.200 -0.015 0.000 0.988 297 S CB -0.161 63.029 63.200 -0.017 0.000 0.838 297 S HN 0.549 nan 8.310 nan 0.000 0.462 298 A N 1.000 123.805 122.820 -0.026 0.000 1.969 298 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 298 A C 1.934 179.495 177.584 -0.038 0.000 1.169 298 A CA 1.483 53.495 52.037 -0.041 0.000 0.635 298 A CB -0.528 18.443 19.000 -0.048 0.000 0.810 298 A HN 0.714 nan 8.150 nan 0.000 0.445 299 E N -0.344 119.846 120.200 -0.018 0.000 2.107 299 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 299 E C 1.782 178.384 176.600 0.004 0.000 0.982 299 E CA 0.794 57.193 56.400 -0.001 0.000 0.809 299 E CB -0.236 29.474 29.700 0.017 0.000 0.756 299 E HN 0.671 nan 8.360 nan 0.000 0.459 300 I N 1.122 121.691 120.570 -0.002 0.000 2.208 300 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 300 I C 2.235 178.349 176.117 -0.005 0.000 1.097 300 I CA 1.172 62.473 61.300 0.001 0.000 1.363 300 I CB -0.096 37.901 38.000 -0.006 0.000 1.051 300 I HN 0.133 nan 8.210 nan 0.000 0.413 301 L N -0.012 121.198 121.223 -0.022 0.000 2.131 301 L HA -0.145 4.195 4.340 -0.000 0.000 0.206 301 L C 2.491 179.326 176.870 -0.058 0.000 1.087 301 L CA 0.746 55.567 54.840 -0.032 0.000 0.767 301 L CB -0.438 41.598 42.059 -0.039 0.000 0.917 301 L HN 0.100 nan 8.230 nan 0.000 0.441 302 K N 0.834 121.179 120.400 -0.091 0.000 2.097 302 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 302 K C 1.887 178.381 176.600 -0.176 0.000 1.050 302 K CA 1.408 57.568 56.287 -0.212 0.000 0.938 302 K CB -0.017 32.357 32.500 -0.211 0.000 0.718 302 K HN 0.182 nan 8.250 nan 0.000 0.442 303 E N -0.678 119.527 120.200 0.008 0.000 2.051 303 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 303 E C 1.789 178.458 176.600 0.116 0.000 0.991 303 E CA 1.239 57.718 56.400 0.132 0.000 0.799 303 E CB -0.179 29.582 29.700 0.102 0.000 0.748 303 E HN 0.423 nan 8.360 nan 0.000 0.449 304 A N 0.880 123.733 122.820 0.054 0.000 1.933 304 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 304 A C 2.313 179.947 177.584 0.083 0.000 1.175 304 A CA 1.703 53.775 52.037 0.059 0.000 0.628 304 A CB -0.634 18.382 19.000 0.027 0.000 0.814 304 A HN 0.348 nan 8.150 nan 0.000 0.444 305 A N -1.146 121.697 122.820 0.038 0.000 1.898 305 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 305 A C 1.911 179.573 177.584 0.130 0.000 1.181 305 A CA 1.454 53.534 52.037 0.071 0.000 0.620 305 A CB -0.656 18.323 19.000 -0.034 0.000 0.819 305 A HN 0.411 nan 8.150 nan 0.000 0.442 306 F N 0.251 120.252 119.950 0.085 0.000 2.075 306 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 306 F C 2.866 178.685 175.800 0.032 0.000 1.113 306 F CA 0.598 58.628 58.000 0.050 0.000 1.218 306 F CB -1.080 37.941 39.000 0.035 0.000 0.984 306 F HN 0.254 nan 8.300 nan 0.000 0.472 307 A N -0.648 122.321 122.820 0.248 0.000 1.986 307 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 307 A C 2.085 179.735 177.584 0.110 0.000 1.171 307 A CA 1.580 53.700 52.037 0.138 0.000 0.640 307 A CB -0.918 18.147 19.000 0.109 0.000 0.811 307 A HN 0.325 nan 8.150 nan 0.000 0.451 308 L N -1.968 119.343 121.223 0.147 0.000 2.375 308 L HA 0.285 4.625 4.340 -0.000 0.000 0.215 308 L C 1.566 178.454 176.870 0.030 0.000 1.108 308 L CA 1.418 56.360 54.840 0.169 0.000 0.830 308 L CB -0.150 42.097 42.059 0.314 0.000 0.959 308 L HN 0.713 nan 8.230 nan 0.000 0.457 309 G N -1.864 106.920 108.800 -0.027 0.000 2.167 309 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.194 309 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.194 309 G C 0.009 174.551 174.900 -0.597 0.000 1.027 309 G CA 0.005 44.936 45.100 -0.281 0.000 0.717 309 G HN 0.140 nan 8.290 nan 0.000 0.501 310 F N 0.000 119.997 119.950 0.078 0.000 2.286 310 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 310 F CA 0.000 58.036 58.000 0.061 0.000 1.383 310 F CB 0.000 39.025 39.000 0.042 0.000 1.145 310 F HN 0.000 nan 8.300 nan 0.000 0.574