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 2c2b_1_F DATA FIRST_RESID 36 DATA SEQUENCE VNPFSAKYVP FNAAPGSTES YSLDEIVYRS RSGGLLDVEH DMEALKRFDG DATA SEQUENCE AYWRDLFDSR VGKSTWPYGS GVWSKKEWVL PEIDDDDIVS AFEGNSNLFW DATA SEQUENCE AERFGKQFLG MNDLWVKHCG ISHTGSFXDL GMTVLVSQVN RLRKMKRPVV DATA SEQUENCE GVGCASTGDT SAALSAYCAS AGIPSIVFLP ANKISMAQLV QPIANGAFVL DATA SEQUENCE SIDTDFDGCM KLIREITAEL PIYLANSLNS LRLEGQKTAA IEILQQFDWQ DATA SEQUENCE VPDWVIVPGG NLGNIYAFYK GFKMCQELGL VDRIPRMVCA QAANANPLYL DATA SEQUENCE HYKSGWKDFK PMTASTTFAS AIQIGDPVSI DRAVYALKKC NGIVEEATEE DATA SEQUENCE ELMDAMAQAD STGMFICPHT GVALTALFKL RNQGVIAPTD RTVVVSTAHG DATA SEQUENCE LKFTQSKIDY HSNAIPDMAC RFSNPPVDVK ADFGAVMDVL KSYLG 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 36 V HA 0.000 nan 4.120 nan 0.000 0.244 36 V C 0.000 176.069 176.094 -0.042 0.000 1.182 36 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 36 V CB 0.000 31.806 31.823 -0.029 0.000 1.184 37 N N 5.530 124.210 118.700 -0.033 0.000 2.437 37 N HA 0.499 5.238 4.740 -0.000 0.000 0.243 37 N C -1.029 174.398 175.510 -0.138 0.000 1.041 37 N CA -1.698 51.319 53.050 -0.054 0.000 0.940 37 N CB 1.619 40.133 38.487 0.046 0.000 1.133 37 N HN 0.504 nan 8.380 nan 0.000 0.506 38 P HA 0.123 nan 4.420 nan 0.000 0.240 38 P C -0.615 176.520 177.300 -0.275 0.000 1.190 38 P CA 0.284 63.163 63.100 -0.369 0.000 0.781 38 P CB 0.132 31.549 31.700 -0.472 0.000 0.931 39 F N 1.431 121.481 119.950 0.166 0.000 2.385 39 F HA 0.491 5.018 4.527 -0.000 0.000 0.336 39 F C 1.321 177.211 175.800 0.150 0.000 1.100 39 F CA -0.581 57.530 58.000 0.185 0.000 1.116 39 F CB 0.789 39.936 39.000 0.245 0.000 1.166 39 F HN -0.114 nan 8.300 nan 0.000 0.511 40 S N 0.737 116.627 115.700 0.316 0.000 2.625 40 S HA 0.971 5.441 4.470 -0.000 0.000 0.271 40 S C -1.281 173.391 174.600 0.120 0.000 1.161 40 S CA -0.651 57.659 58.200 0.184 0.000 0.820 40 S CB 1.809 65.071 63.200 0.102 0.000 1.137 40 S HN 1.212 nan 8.310 nan 0.000 0.470 41 A N 0.815 123.628 122.820 -0.012 0.000 2.572 41 A HA 0.909 5.229 4.320 -0.000 0.000 0.295 41 A C -1.219 176.251 177.584 -0.189 0.000 1.072 41 A CA -0.910 50.995 52.037 -0.221 0.000 0.691 41 A CB 1.598 20.297 19.000 -0.502 0.000 1.291 41 A HN 1.240 nan 8.150 nan 0.000 0.404 42 K N 0.418 120.689 120.400 -0.214 0.000 2.536 42 K HA 0.627 4.946 4.320 -0.000 0.000 0.269 42 K C -1.753 174.772 176.600 -0.126 0.000 0.965 42 K CA -0.779 55.421 56.287 -0.145 0.000 0.860 42 K CB 1.036 33.509 32.500 -0.045 0.000 1.423 42 K HN 0.442 nan 8.250 nan 0.000 0.438 43 Y N 0.384 120.717 120.300 0.056 0.000 2.346 43 Y HA 0.403 4.953 4.550 -0.000 0.000 0.330 43 Y C 0.185 176.154 175.900 0.115 0.000 1.178 43 Y CA -0.114 58.050 58.100 0.106 0.000 1.331 43 Y CB 1.450 40.016 38.460 0.176 0.000 1.253 43 Y HN 0.315 nan 8.280 nan 0.000 0.529 44 V N 4.543 124.637 119.914 0.299 0.000 3.048 44 V HA 0.376 4.496 4.120 -0.000 0.000 0.303 44 V C -2.488 173.712 176.094 0.177 0.000 1.214 44 V CA -2.477 59.925 62.300 0.170 0.000 0.984 44 V CB 2.774 34.645 31.823 0.080 0.000 1.054 44 V HN 0.508 nan 8.190 nan 0.000 0.430 45 P HA 0.123 nan 4.420 nan 0.000 0.268 45 P C -0.652 176.704 177.300 0.094 0.000 1.204 45 P CA 0.006 63.177 63.100 0.118 0.000 0.768 45 P CB 0.136 31.876 31.700 0.068 0.000 0.842 46 F N 3.829 123.775 119.950 -0.007 0.000 2.608 46 F HA 0.052 4.579 4.527 -0.000 0.000 0.380 46 F C 1.065 176.795 175.800 -0.116 0.000 1.083 46 F CA 0.141 58.102 58.000 -0.065 0.000 1.266 46 F CB -0.359 38.577 39.000 -0.107 0.000 1.076 46 F HN 0.390 nan 8.300 nan 0.000 0.574 47 N N 3.736 121.810 118.700 -1.043 0.000 2.696 47 N HA -0.233 4.507 4.740 -0.000 0.000 0.256 47 N C -0.778 174.444 175.510 -0.479 0.000 1.031 47 N CA 0.582 53.015 53.050 -1.029 0.000 0.730 47 N CB -1.131 36.337 38.487 -1.698 0.000 0.894 47 N HN 1.010 nan 8.380 nan 0.000 0.544 48 A N 0.503 123.160 122.820 -0.271 0.000 2.498 48 A HA 0.582 4.901 4.320 -0.000 0.000 0.239 48 A C 1.150 178.665 177.584 -0.115 0.000 1.068 48 A CA 0.341 52.292 52.037 -0.142 0.000 0.766 48 A CB 0.178 19.129 19.000 -0.082 0.000 1.003 48 A HN 0.898 nan 8.150 nan 0.000 0.497 49 A N 3.370 126.143 122.820 -0.078 0.000 2.409 49 A HA 0.518 4.837 4.320 -0.000 0.000 0.246 49 A C -1.813 175.745 177.584 -0.042 0.000 1.099 49 A CA -0.915 51.089 52.037 -0.055 0.000 0.789 49 A CB -0.686 18.293 19.000 -0.036 0.000 1.053 49 A HN 0.757 nan 8.150 nan 0.000 0.503 50 P HA 0.160 nan 4.420 nan 0.000 0.260 50 P C 0.619 177.907 177.300 -0.021 0.000 1.207 50 P CA 1.496 64.582 63.100 -0.022 0.000 0.780 50 P CB -0.032 31.659 31.700 -0.015 0.000 0.789 51 G N 2.232 111.019 108.800 -0.021 0.000 2.221 51 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 51 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 51 G C 0.304 175.189 174.900 -0.024 0.000 1.041 51 G CA 0.207 45.295 45.100 -0.020 0.000 0.807 51 G HN 0.802 nan 8.290 nan 0.000 0.502 52 S N -0.545 115.137 115.700 -0.029 0.000 2.549 52 S HA 0.512 4.982 4.470 -0.000 0.000 0.279 52 S C 1.720 176.296 174.600 -0.040 0.000 1.321 52 S CA 1.010 59.190 58.200 -0.033 0.000 1.054 52 S CB 0.715 63.894 63.200 -0.036 0.000 0.899 52 S HN 1.123 nan 8.310 nan 0.000 0.497 53 T N 1.051 115.577 114.554 -0.047 0.000 3.069 53 T HA 0.268 4.618 4.350 -0.000 0.000 0.252 53 T C 0.437 175.079 174.700 -0.098 0.000 1.053 53 T CA -0.299 61.766 62.100 -0.060 0.000 0.964 53 T CB -0.168 68.669 68.868 -0.050 0.000 1.005 53 T HN 0.712 nan 8.240 nan 0.000 0.532 54 E N 2.532 122.668 120.200 -0.107 0.000 2.265 54 E HA 0.328 4.678 4.350 -0.000 0.000 0.272 54 E C -0.419 176.038 176.600 -0.239 0.000 1.067 54 E CA -0.256 56.030 56.400 -0.191 0.000 0.900 54 E CB 0.305 29.936 29.700 -0.115 0.000 1.017 54 E HN 0.557 nan 8.360 nan 0.000 0.431 55 S N 3.672 119.119 115.700 -0.422 0.000 2.570 55 S HA 0.539 5.009 4.470 -0.000 0.000 0.270 55 S C -1.496 172.750 174.600 -0.590 0.000 1.149 55 S CA -0.854 57.144 58.200 -0.338 0.000 0.837 55 S CB 0.841 63.964 63.200 -0.129 0.000 1.124 55 S HN 0.414 nan 8.310 nan 0.000 0.465 56 Y N 0.230 120.589 120.300 0.099 0.000 2.492 56 Y HA 0.669 5.219 4.550 -0.000 0.000 0.346 56 Y C 0.608 176.587 175.900 0.131 0.000 0.997 56 Y CA -0.860 57.308 58.100 0.115 0.000 1.025 56 Y CB 2.041 40.580 38.460 0.131 0.000 1.263 56 Y HN 0.871 nan 8.280 nan 0.000 0.454 57 S N 1.735 117.577 115.700 0.236 0.000 2.563 57 S HA 0.070 4.540 4.470 -0.000 0.000 0.284 57 S C 1.060 175.761 174.600 0.168 0.000 1.331 57 S CA -0.309 57.974 58.200 0.139 0.000 1.047 57 S CB 0.323 63.586 63.200 0.105 0.000 0.859 57 S HN 0.757 nan 8.310 nan 0.000 0.514 58 L N 2.479 123.699 121.223 -0.005 0.000 2.275 58 L HA -0.049 4.291 4.340 -0.000 0.000 0.215 58 L C 1.538 178.470 176.870 0.103 0.000 1.119 58 L CA 0.819 55.591 54.840 -0.113 0.000 0.790 58 L CB -0.449 41.477 42.059 -0.221 0.000 0.919 58 L HN 0.613 nan 8.230 nan 0.000 0.443 59 D N -0.230 120.230 120.400 0.099 0.000 2.347 59 D HA -0.067 4.573 4.640 -0.000 0.000 0.215 59 D C 0.805 177.179 176.300 0.124 0.000 0.976 59 D CA 0.531 54.591 54.000 0.101 0.000 0.884 59 D CB 0.003 40.845 40.800 0.069 0.000 0.915 59 D HN 0.220 nan 8.370 nan 0.000 0.526 60 E N 0.388 120.686 120.200 0.165 0.000 2.316 60 E HA 0.155 4.505 4.350 -0.000 0.000 0.275 60 E C -0.205 176.417 176.600 0.036 0.000 1.029 60 E CA -0.166 56.295 56.400 0.102 0.000 0.871 60 E CB 0.560 30.337 29.700 0.129 0.000 1.022 60 E HN 0.052 nan 8.360 nan 0.000 0.418 61 I N 5.653 126.180 120.570 -0.072 0.000 2.260 61 I HA 0.183 4.353 4.170 -0.000 0.000 0.297 61 I C -0.860 174.930 176.117 -0.545 0.000 1.143 61 I CA -0.468 60.693 61.300 -0.231 0.000 1.271 61 I CB -0.069 37.866 38.000 -0.109 0.000 1.461 61 I HN 0.157 nan 8.210 nan 0.000 0.530 62 V N 5.010 124.432 119.914 -0.820 0.000 2.971 62 V HA 0.336 4.456 4.120 -0.000 0.000 0.309 62 V C -0.583 174.853 176.094 -1.097 0.000 1.130 62 V CA -0.581 61.179 62.300 -0.901 0.000 0.964 62 V CB 1.859 33.196 31.823 -0.811 0.000 1.029 62 V HN 0.487 nan 8.190 nan 0.000 0.427 63 Y N 0.640 120.724 120.300 -0.361 0.000 2.452 63 Y HA 0.477 5.027 4.550 -0.000 0.000 0.262 63 Y C 1.054 176.824 175.900 -0.217 0.000 1.089 63 Y CA -0.428 57.501 58.100 -0.285 0.000 1.262 63 Y CB 0.908 39.228 38.460 -0.234 0.000 1.236 63 Y HN 0.419 nan 8.280 nan 0.000 0.512 64 R N -0.021 120.424 120.500 -0.093 0.000 2.836 64 R HA 0.507 4.847 4.340 -0.000 0.000 0.269 64 R C -0.301 175.945 176.300 -0.089 0.000 1.010 64 R CA -0.562 55.502 56.100 -0.059 0.000 0.930 64 R CB 1.980 32.271 30.300 -0.016 0.000 1.218 64 R HN 0.081 nan 8.270 nan 0.000 0.473 65 S N 0.013 115.712 115.700 -0.002 0.000 2.671 65 S HA 0.234 4.704 4.470 -0.000 0.000 0.272 65 S C 1.043 175.680 174.600 0.063 0.000 1.174 65 S CA -0.703 57.538 58.200 0.068 0.000 1.004 65 S CB 1.060 64.326 63.200 0.111 0.000 1.077 65 S HN 0.589 nan 8.310 nan 0.000 0.553 66 R N 0.601 121.171 120.500 0.118 0.000 2.105 66 R HA -0.083 4.257 4.340 -0.000 0.000 0.239 66 R C 2.476 178.808 176.300 0.054 0.000 1.135 66 R CA 1.665 57.817 56.100 0.088 0.000 0.967 66 R CB -0.768 29.591 30.300 0.098 0.000 0.861 66 R HN 0.877 nan 8.270 nan 0.000 0.442 67 S N -1.216 114.516 115.700 0.054 0.000 2.527 67 S HA 0.081 4.551 4.470 -0.000 0.000 0.222 67 S C 1.425 176.048 174.600 0.038 0.000 0.985 67 S CA 0.582 58.808 58.200 0.043 0.000 0.921 67 S CB 0.643 63.870 63.200 0.045 0.000 0.772 67 S HN 0.517 nan 8.310 nan 0.000 0.529 68 G N 0.309 109.130 108.800 0.035 0.000 2.175 68 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.244 68 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.244 68 G C 0.445 175.364 174.900 0.032 0.000 0.982 68 G CA -0.130 44.985 45.100 0.025 0.000 0.641 68 G HN 1.022 nan 8.290 nan 0.000 0.527 69 G N -0.684 108.146 108.800 0.049 0.000 2.588 69 G HA2 0.616 4.576 3.960 -0.000 0.000 0.278 69 G HA3 0.616 4.576 3.960 -0.000 0.000 0.278 69 G C 0.477 175.411 174.900 0.056 0.000 1.307 69 G CA -0.621 44.518 45.100 0.066 0.000 1.016 69 G HN 0.632 nan 8.290 nan 0.000 0.503 70 L N -0.709 120.552 121.223 0.063 0.000 2.439 70 L HA 0.302 4.642 4.340 -0.000 0.000 0.261 70 L C -0.141 176.791 176.870 0.103 0.000 1.153 70 L CA -0.862 54.001 54.840 0.038 0.000 0.808 70 L CB 0.819 42.843 42.059 -0.059 0.000 1.126 70 L HN 0.153 nan 8.230 nan 0.000 0.460 71 L N 0.917 122.189 121.223 0.082 0.000 2.344 71 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 71 L C -0.325 176.673 176.870 0.214 0.000 1.035 71 L CA -0.076 54.848 54.840 0.139 0.000 0.807 71 L CB 1.331 43.409 42.059 0.030 0.000 1.237 71 L HN 0.476 nan 8.230 nan 0.000 0.442 72 D N -0.300 120.263 120.400 0.272 0.000 2.493 72 D HA 0.493 5.133 4.640 -0.000 0.000 0.239 72 D C -1.071 175.379 176.300 0.251 0.000 1.049 72 D CA -0.242 53.926 54.000 0.280 0.000 1.008 72 D CB 2.432 43.411 40.800 0.299 0.000 1.398 72 D HN 0.054 nan 8.370 nan 0.000 0.513 73 V N 1.249 121.256 119.914 0.154 0.000 2.348 73 V HA 0.207 4.327 4.120 -0.000 0.000 0.270 73 V C 0.172 176.230 176.094 -0.060 0.000 1.037 73 V CA -0.458 61.825 62.300 -0.027 0.000 0.872 73 V CB 1.004 32.758 31.823 -0.115 0.000 1.002 73 V HN 0.385 nan 8.190 nan 0.000 0.464 74 E N 5.110 125.254 120.200 -0.094 0.000 2.134 74 E HA 0.302 4.652 4.350 -0.000 0.000 0.278 74 E C -0.613 175.883 176.600 -0.174 0.000 0.959 74 E CA -0.653 55.706 56.400 -0.068 0.000 0.783 74 E CB 0.654 30.346 29.700 -0.014 0.000 1.095 74 E HN 0.723 nan 8.360 nan 0.000 0.399 75 H N 2.743 121.782 119.070 -0.052 0.000 2.505 75 H HA 0.032 4.588 4.556 -0.000 0.000 0.351 75 H C -0.501 174.809 175.328 -0.030 0.000 1.151 75 H CA -0.419 55.600 56.048 -0.048 0.000 1.339 75 H CB 1.285 30.979 29.762 -0.112 0.000 1.483 75 H HN 0.582 nan 8.280 nan 0.000 0.558 76 D N 2.980 123.462 120.400 0.137 0.000 2.398 76 D HA -0.050 4.590 4.640 -0.000 0.000 0.250 76 D C 1.053 177.417 176.300 0.107 0.000 1.287 76 D CA -0.057 54.011 54.000 0.112 0.000 0.992 76 D CB 0.271 41.156 40.800 0.142 0.000 1.071 76 D HN 0.335 nan 8.370 nan 0.000 0.514 77 M N 1.876 121.502 119.600 0.042 0.000 2.374 77 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 77 M C 1.724 178.053 176.300 0.047 0.000 1.067 77 M CA 0.809 56.107 55.300 -0.004 0.000 1.103 77 M CB -0.426 32.147 32.600 -0.046 0.000 1.402 77 M HN 0.509 nan 8.290 nan 0.000 0.444 78 E N 0.354 120.595 120.200 0.067 0.000 2.072 78 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 78 E C 1.962 178.643 176.600 0.135 0.000 0.985 78 E CA 1.225 57.670 56.400 0.076 0.000 0.801 78 E CB 0.185 29.917 29.700 0.052 0.000 0.750 78 E HN 0.437 nan 8.360 nan 0.000 0.452 79 A N 0.583 123.522 122.820 0.197 0.000 1.968 79 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 79 A C 2.097 180.034 177.584 0.588 0.000 1.169 79 A CA 0.686 52.912 52.037 0.316 0.000 0.638 79 A CB -0.392 18.793 19.000 0.307 0.000 0.812 79 A HN 0.252 nan 8.150 nan 0.000 0.446 80 L N -0.837 120.690 121.223 0.506 0.000 2.109 80 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 80 L C 2.246 179.460 176.870 0.573 0.000 1.086 80 L CA 1.249 56.419 54.840 0.550 0.000 0.760 80 L CB -0.345 41.727 42.059 0.021 0.000 0.910 80 L HN 0.260 nan 8.230 nan 0.000 0.437 81 K N -0.174 120.408 120.400 0.304 0.000 2.515 81 K HA -0.054 4.266 4.320 -0.000 0.000 0.196 81 K C 1.844 178.549 176.600 0.176 0.000 1.038 81 K CA 0.358 56.776 56.287 0.217 0.000 0.967 81 K CB 0.060 32.618 32.500 0.096 0.000 0.780 81 K HN 0.177 nan 8.250 nan 0.000 0.483 82 R N 0.069 120.679 120.500 0.184 0.000 2.316 82 R HA 0.016 4.356 4.340 -0.000 0.000 0.202 82 R C -0.082 175.942 176.300 -0.459 0.000 1.029 82 R CA 0.695 56.717 56.100 -0.131 0.000 1.018 82 R CB -0.066 30.114 30.300 -0.199 0.000 0.888 82 R HN 0.072 nan 8.270 nan 0.000 0.471 83 F N 1.259 121.272 119.950 0.104 0.000 2.518 83 F HA 0.155 4.682 4.527 -0.000 0.000 0.323 83 F C 0.316 176.195 175.800 0.132 0.000 1.129 83 F CA -1.842 56.101 58.000 -0.095 0.000 0.920 83 F CB 1.311 40.021 39.000 -0.484 0.000 1.160 83 F HN -0.085 nan 8.300 nan 0.000 0.440 84 D N 1.178 121.680 120.400 0.169 0.000 2.377 84 D HA 0.199 4.839 4.640 -0.000 0.000 0.245 84 D C 1.391 177.870 176.300 0.298 0.000 1.196 84 D CA -0.460 53.661 54.000 0.201 0.000 0.962 84 D CB 0.635 41.482 40.800 0.078 0.000 1.127 84 D HN 0.596 nan 8.370 nan 0.000 0.471 85 G N -0.486 108.445 108.800 0.218 0.000 2.450 85 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.220 85 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.220 85 G C 1.476 176.370 174.900 -0.010 0.000 1.130 85 G CA 1.389 46.574 45.100 0.140 0.000 0.760 85 G HN 0.671 nan 8.290 nan 0.000 0.557 86 A N 0.096 122.908 122.820 -0.013 0.000 1.908 86 A HA -0.097 4.222 4.320 -0.000 0.000 0.218 86 A C 2.201 179.732 177.584 -0.088 0.000 1.181 86 A CA 1.800 53.799 52.037 -0.063 0.000 0.627 86 A CB -0.711 18.276 19.000 -0.022 0.000 0.818 86 A HN 0.504 nan 8.150 nan 0.000 0.445 87 Y N -1.191 119.001 120.300 -0.180 0.000 2.114 87 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 87 Y C 2.164 177.794 175.900 -0.451 0.000 1.143 87 Y CA 1.917 59.834 58.100 -0.305 0.000 1.135 87 Y CB -0.509 37.750 38.460 -0.335 0.000 0.980 87 Y HN 0.449 nan 8.280 nan 0.000 0.499 88 W N 0.540 121.671 121.300 -0.280 0.000 2.363 88 W HA -0.132 4.528 4.660 -0.000 0.000 0.296 88 W C 2.586 178.565 176.519 -0.900 0.000 1.212 88 W CA 1.326 58.230 57.345 -0.734 0.000 1.260 88 W CB -0.292 28.882 29.460 -0.477 0.000 1.131 88 W HN -0.112 nan 8.180 nan 0.000 0.530 89 R N 0.223 120.449 120.500 -0.457 0.000 2.070 89 R HA -0.159 4.181 4.340 -0.000 0.000 0.233 89 R C 1.695 177.881 176.300 -0.189 0.000 1.137 89 R CA 1.813 57.586 56.100 -0.545 0.000 0.945 89 R CB -0.846 28.979 30.300 -0.791 0.000 0.845 89 R HN 0.131 nan 8.270 nan 0.000 0.430 90 D N 0.855 121.103 120.400 -0.253 0.000 2.123 90 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 90 D C 1.889 178.024 176.300 -0.276 0.000 0.992 90 D CA 0.941 54.816 54.000 -0.208 0.000 0.833 90 D CB -0.179 40.478 40.800 -0.238 0.000 0.954 90 D HN 0.057 nan 8.370 nan 0.000 0.455 91 L N -0.154 120.761 121.223 -0.514 0.000 2.005 91 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 91 L C 2.248 178.993 176.870 -0.207 0.000 1.072 91 L CA 1.479 55.995 54.840 -0.541 0.000 0.744 91 L CB -0.702 40.808 42.059 -0.914 0.000 0.895 91 L HN -0.016 nan 8.230 nan 0.000 0.433 92 F N -0.554 119.311 119.950 -0.142 0.000 2.234 92 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 92 F C 2.140 177.948 175.800 0.013 0.000 1.087 92 F CA 0.432 58.397 58.000 -0.059 0.000 1.340 92 F CB -0.270 38.744 39.000 0.024 0.000 1.031 92 F HN 0.204 nan 8.300 nan 0.000 0.500 93 D N 0.008 120.555 120.400 0.246 0.000 2.123 93 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 93 D C 2.324 178.665 176.300 0.067 0.000 0.976 93 D CA 1.649 55.749 54.000 0.166 0.000 0.831 93 D CB -0.488 40.431 40.800 0.199 0.000 0.974 93 D HN 0.198 nan 8.370 nan 0.000 0.469 94 S N 0.205 115.914 115.700 0.015 0.000 2.500 94 S HA -0.073 4.397 4.470 -0.000 0.000 0.239 94 S C 1.569 176.173 174.600 0.007 0.000 0.989 94 S CA 0.512 58.704 58.200 -0.013 0.000 0.951 94 S CB -0.121 63.035 63.200 -0.073 0.000 0.759 94 S HN 0.239 nan 8.310 nan 0.000 0.523 95 R N 0.179 120.696 120.500 0.028 0.000 2.404 95 R HA 0.315 4.655 4.340 -0.000 0.000 0.237 95 R C -0.396 175.957 176.300 0.088 0.000 0.907 95 R CA -0.098 56.040 56.100 0.063 0.000 1.063 95 R CB 0.256 30.580 30.300 0.040 0.000 1.134 95 R HN 0.254 nan 8.270 nan 0.000 0.529 96 V N 2.391 122.338 119.914 0.055 0.000 2.452 96 V HA 0.033 4.153 4.120 -0.000 0.000 0.286 96 V C 1.192 177.321 176.094 0.058 0.000 0.995 96 V CA 1.295 63.612 62.300 0.027 0.000 1.116 96 V CB 0.186 32.003 31.823 -0.010 0.000 0.954 96 V HN 0.755 nan 8.190 nan 0.000 0.473 97 G N 4.439 113.289 108.800 0.084 0.000 2.305 97 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.287 97 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.287 97 G C 0.175 175.201 174.900 0.210 0.000 1.036 97 G CA 0.145 45.347 45.100 0.170 0.000 0.887 97 G HN 0.567 nan 8.290 nan 0.000 0.505 98 K N -0.157 120.366 120.400 0.205 0.000 2.168 98 K HA 0.599 4.919 4.320 -0.000 0.000 0.239 98 K C 1.583 178.299 176.600 0.192 0.000 0.999 98 K CA -0.100 56.288 56.287 0.169 0.000 0.900 98 K CB 1.258 33.841 32.500 0.138 0.000 1.111 98 K HN 0.382 nan 8.250 nan 0.000 0.452 99 S N -0.993 114.787 115.700 0.132 0.000 2.527 99 S HA -0.016 4.454 4.470 -0.000 0.000 0.222 99 S C 0.503 175.184 174.600 0.136 0.000 0.985 99 S CA 0.025 58.282 58.200 0.096 0.000 0.921 99 S CB -0.211 63.019 63.200 0.050 0.000 0.772 99 S HN 0.489 nan 8.310 nan 0.000 0.529 100 T N 3.805 118.463 114.554 0.173 0.000 2.834 100 T HA 0.066 4.416 4.350 -0.000 0.000 0.298 100 T C -0.302 174.529 174.700 0.220 0.000 0.966 100 T CA -0.394 61.828 62.100 0.204 0.000 1.141 100 T CB 0.049 69.056 68.868 0.232 0.000 0.905 100 T HN 0.511 nan 8.240 nan 0.000 0.535 101 W N 6.780 128.066 121.300 -0.024 0.000 2.272 101 W HA 0.253 4.913 4.660 -0.000 0.000 0.318 101 W C -2.084 174.236 176.519 -0.332 0.000 1.255 101 W CA -2.431 54.839 57.345 -0.126 0.000 1.200 101 W CB 1.200 30.590 29.460 -0.116 0.000 1.170 101 W HN 0.496 nan 8.180 nan 0.000 0.549 102 P HA 0.073 nan 4.420 nan 0.000 0.266 102 P C -0.012 176.953 177.300 -0.558 0.000 1.561 102 P CA 0.159 62.453 63.100 -1.343 0.000 1.089 102 P CB -0.125 30.480 31.700 -1.825 0.000 1.534 103 Y N -0.225 120.030 120.300 -0.074 0.000 2.529 103 Y HA 0.199 4.749 4.550 -0.000 0.000 0.290 103 Y C 2.511 178.468 175.900 0.095 0.000 1.177 103 Y CA 0.644 58.761 58.100 0.028 0.000 1.305 103 Y CB -1.082 37.403 38.460 0.042 0.000 1.047 103 Y HN 0.039 nan 8.280 nan 0.000 0.522 104 G N -0.600 108.368 108.800 0.281 0.000 2.422 104 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 104 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 104 G C 1.022 176.115 174.900 0.323 0.000 1.140 104 G CA 0.589 45.948 45.100 0.432 0.000 0.775 104 G HN 0.339 nan 8.290 nan 0.000 0.545 105 S N 0.147 116.002 115.700 0.260 0.000 2.562 105 S HA 0.382 4.852 4.470 -0.000 0.000 0.281 105 S C 1.853 176.428 174.600 -0.041 0.000 1.333 105 S CA 0.329 58.596 58.200 0.112 0.000 1.052 105 S CB 1.225 64.584 63.200 0.266 0.000 0.884 105 S HN 0.285 nan 8.310 nan 0.000 0.506 106 G N 3.302 112.008 108.800 -0.156 0.000 2.450 106 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.220 106 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.220 106 G C 1.192 175.942 174.900 -0.250 0.000 1.130 106 G CA 1.032 46.012 45.100 -0.199 0.000 0.760 106 G HN 0.632 nan 8.290 nan 0.000 0.557 107 V N -0.847 118.899 119.914 -0.280 0.000 2.300 107 V HA -0.021 4.099 4.120 -0.000 0.000 0.241 107 V C 2.233 178.045 176.094 -0.470 0.000 1.034 107 V CA 1.280 63.294 62.300 -0.477 0.000 1.021 107 V CB -0.598 30.809 31.823 -0.694 0.000 0.662 107 V HN 0.579 nan 8.190 nan 0.000 0.458 108 W N 0.777 121.993 121.300 -0.139 0.000 2.937 108 W HA -0.017 4.643 4.660 -0.000 0.000 0.245 108 W C 2.531 179.037 176.519 -0.020 0.000 1.306 108 W CA 0.697 57.964 57.345 -0.129 0.000 1.470 108 W CB -0.403 28.917 29.460 -0.235 0.000 1.132 108 W HN 0.325 nan 8.180 nan 0.000 0.675 109 S N 0.266 116.030 115.700 0.108 0.000 2.481 109 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 109 S C 1.211 175.727 174.600 -0.139 0.000 0.996 109 S CA 0.639 58.896 58.200 0.096 0.000 0.942 109 S CB -0.223 62.970 63.200 -0.011 0.000 0.768 109 S HN 0.165 nan 8.310 nan 0.000 0.520 110 K N 1.368 121.554 120.400 -0.357 0.000 2.681 110 K HA 0.316 4.636 4.320 -0.000 0.000 0.211 110 K C 0.853 177.345 176.600 -0.181 0.000 1.075 110 K CA -0.288 55.599 56.287 -0.665 0.000 1.141 110 K CB 0.329 32.265 32.500 -0.940 0.000 0.896 110 K HN 0.351 nan 8.250 nan 0.000 0.470 111 K N 1.979 122.453 120.400 0.123 0.000 2.089 111 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 111 K C 0.853 177.604 176.600 0.252 0.000 1.048 111 K CA 1.897 58.364 56.287 0.300 0.000 0.926 111 K CB 0.224 32.996 32.500 0.452 0.000 0.714 111 K HN 0.072 nan 8.250 nan 0.000 0.448 112 E N -0.827 119.515 120.200 0.237 0.000 2.209 112 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 112 E C 1.103 177.821 176.600 0.197 0.000 0.993 112 E CA 1.209 57.736 56.400 0.212 0.000 0.819 112 E CB -0.097 29.667 29.700 0.106 0.000 0.745 112 E HN 0.471 nan 8.360 nan 0.000 0.477 113 W N -1.054 120.078 121.300 -0.279 0.000 3.278 113 W HA 0.273 4.933 4.660 -0.000 0.000 0.308 113 W C 1.079 177.246 176.519 -0.587 0.000 1.253 113 W CA -0.254 56.736 57.345 -0.592 0.000 1.759 113 W CB 0.016 29.172 29.460 -0.506 0.000 1.093 113 W HN -0.100 nan 8.180 nan 0.000 0.648 114 V N -0.882 119.043 119.914 0.018 0.000 3.240 114 V HA 0.245 4.364 4.120 -0.000 0.000 0.218 114 V C 0.487 176.732 176.094 0.251 0.000 1.190 114 V CA 0.427 62.764 62.300 0.061 0.000 1.280 114 V CB 0.091 31.790 31.823 -0.206 0.000 1.244 114 V HN -0.304 nan 8.190 nan 0.000 0.512 115 L N 2.518 123.911 121.223 0.284 0.000 2.488 115 L HA 0.339 4.679 4.340 -0.000 0.000 0.250 115 L C -1.847 175.207 176.870 0.306 0.000 1.280 115 L CA -1.086 53.936 54.840 0.305 0.000 0.929 115 L CB 2.024 44.303 42.059 0.368 0.000 1.200 115 L HN 0.221 nan 8.230 nan 0.000 0.495 116 P HA -0.158 nan 4.420 nan 0.000 0.219 116 P C 0.715 178.166 177.300 0.251 0.000 1.146 116 P CA 1.318 64.609 63.100 0.319 0.000 0.808 116 P CB 0.510 32.443 31.700 0.389 0.000 0.779 117 E N -1.086 119.226 120.200 0.186 0.000 2.481 117 E HA 0.148 4.498 4.350 -0.000 0.000 0.198 117 E C 0.864 177.520 176.600 0.092 0.000 1.027 117 E CA -0.510 55.968 56.400 0.130 0.000 0.900 117 E CB 0.190 29.949 29.700 0.098 0.000 0.993 117 E HN 0.264 nan 8.360 nan 0.000 0.482 118 I N 1.934 122.559 120.570 0.093 0.000 2.588 118 I HA -0.033 4.137 4.170 -0.000 0.000 0.283 118 I C 0.349 176.466 176.117 0.001 0.000 1.119 118 I CA -0.070 61.252 61.300 0.037 0.000 1.419 118 I CB 0.579 38.591 38.000 0.020 0.000 1.394 118 I HN -0.084 nan 8.210 nan 0.000 0.562 119 D N 5.343 125.738 120.400 -0.008 0.000 2.372 119 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 119 D C 0.429 176.696 176.300 -0.056 0.000 1.121 119 D CA -0.173 53.820 54.000 -0.011 0.000 0.898 119 D CB 1.214 42.018 40.800 0.006 0.000 1.202 119 D HN 0.527 nan 8.370 nan 0.000 0.428 120 D N 1.577 121.951 120.400 -0.043 0.000 2.218 120 D HA -0.135 4.505 4.640 -0.000 0.000 0.204 120 D C 0.981 177.358 176.300 0.129 0.000 0.976 120 D CA 0.819 54.795 54.000 -0.040 0.000 0.853 120 D CB 0.155 40.959 40.800 0.007 0.000 0.939 120 D HN 0.435 nan 8.370 nan 0.000 0.481 121 D N 0.464 120.908 120.400 0.073 0.000 2.264 121 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 121 D C 1.067 177.390 176.300 0.038 0.000 0.966 121 D CA 0.751 54.785 54.000 0.057 0.000 0.864 121 D CB -0.060 40.750 40.800 0.017 0.000 0.933 121 D HN 0.212 nan 8.370 nan 0.000 0.499 122 D N -0.210 120.193 120.400 0.005 0.000 2.354 122 D HA 0.101 4.741 4.640 -0.000 0.000 0.209 122 D C 0.720 176.997 176.300 -0.039 0.000 1.015 122 D CA -0.124 53.868 54.000 -0.014 0.000 0.867 122 D CB 0.622 41.408 40.800 -0.023 0.000 0.933 122 D HN 0.239 nan 8.370 nan 0.000 0.520 123 I N 1.375 121.888 120.570 -0.095 0.000 2.533 123 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 123 I C -0.044 176.100 176.117 0.046 0.000 1.109 123 I CA -0.092 61.052 61.300 -0.261 0.000 1.412 123 I CB 1.113 38.623 38.000 -0.816 0.000 1.396 123 I HN -0.331 nan 8.210 nan 0.000 0.543 124 V N 5.993 125.960 119.914 0.087 0.000 2.275 124 V HA 0.283 4.402 4.120 -0.000 0.000 0.272 124 V C 0.054 176.392 176.094 0.407 0.000 1.028 124 V CA -0.220 62.228 62.300 0.247 0.000 0.810 124 V CB 0.784 32.756 31.823 0.247 0.000 1.043 124 V HN 0.768 nan 8.190 nan 0.000 0.453 125 S N 3.710 119.666 115.700 0.426 0.000 2.526 125 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 125 S C 0.052 174.881 174.600 0.381 0.000 1.092 125 S CA 0.065 58.559 58.200 0.491 0.000 0.980 125 S CB 1.926 65.311 63.200 0.309 0.000 1.048 125 S HN 0.946 nan 8.310 nan 0.000 0.483 126 A N 3.650 126.660 122.820 0.318 0.000 3.154 126 A HA 0.518 4.838 4.320 -0.000 0.000 0.310 126 A C 0.304 178.125 177.584 0.395 0.000 1.093 126 A CA -0.666 51.487 52.037 0.194 0.000 1.006 126 A CB -1.227 17.646 19.000 -0.211 0.000 1.084 126 A HN 1.510 nan 8.150 nan 0.000 0.549 127 F N 0.501 120.586 119.950 0.225 0.000 3.100 127 F HA -0.263 4.264 4.527 -0.000 0.000 0.283 127 F C 1.137 177.038 175.800 0.169 0.000 0.900 127 F CA 0.469 58.582 58.000 0.188 0.000 1.010 127 F CB -0.412 38.686 39.000 0.162 0.000 1.029 127 F HN 0.714 nan 8.300 nan 0.000 0.637 128 E N 1.524 121.850 120.200 0.210 0.000 2.408 128 E HA 0.476 4.826 4.350 -0.000 0.000 0.259 128 E C 1.049 177.623 176.600 -0.043 0.000 1.110 128 E CA 0.489 56.959 56.400 0.117 0.000 0.929 128 E CB 0.867 30.683 29.700 0.192 0.000 0.971 128 E HN 0.662 nan 8.360 nan 0.000 0.438 129 G N 2.115 110.890 108.800 -0.042 0.000 2.553 129 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.242 129 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.242 129 G C -0.077 174.732 174.900 -0.153 0.000 1.277 129 G CA -0.095 44.945 45.100 -0.100 0.000 0.910 129 G HN 0.851 nan 8.290 nan 0.000 0.576 130 N N -1.058 117.535 118.700 -0.179 0.000 2.727 130 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 130 N C 0.257 175.709 175.510 -0.096 0.000 1.048 130 N CA 1.513 54.455 53.050 -0.179 0.000 0.714 130 N CB -1.137 37.174 38.487 -0.293 0.000 0.959 130 N HN 1.049 nan 8.380 nan 0.000 0.544 131 S N 0.366 116.039 115.700 -0.044 0.000 2.545 131 S HA 0.107 4.577 4.470 -0.000 0.000 0.275 131 S C 0.566 175.194 174.600 0.047 0.000 1.299 131 S CA -0.605 57.615 58.200 0.034 0.000 1.048 131 S CB 0.750 63.996 63.200 0.078 0.000 0.938 131 S HN 0.346 nan 8.310 nan 0.000 0.496 132 N N 3.166 121.917 118.700 0.084 0.000 2.365 132 N HA -0.060 4.680 4.740 -0.000 0.000 0.265 132 N C -0.628 174.970 175.510 0.147 0.000 1.288 132 N CA -0.305 52.797 53.050 0.088 0.000 0.869 132 N CB 0.158 38.680 38.487 0.060 0.000 1.071 132 N HN 0.367 nan 8.380 nan 0.000 0.480 133 L N 6.882 128.178 121.223 0.121 0.000 2.375 133 L HA 0.270 4.610 4.340 -0.000 0.000 0.276 133 L C -0.782 176.335 176.870 0.412 0.000 1.162 133 L CA -0.261 54.706 54.840 0.211 0.000 0.991 133 L CB -0.477 41.555 42.059 -0.046 0.000 1.315 133 L HN 0.405 nan 8.230 nan 0.000 0.431 134 F N 4.089 124.176 119.950 0.227 0.000 2.504 134 F HA 0.169 4.696 4.527 -0.000 0.000 0.369 134 F C -0.268 175.664 175.800 0.219 0.000 1.082 134 F CA -0.284 57.794 58.000 0.130 0.000 1.216 134 F CB 0.369 39.292 39.000 -0.129 0.000 1.108 134 F HN 0.543 nan 8.300 nan 0.000 0.554 135 W N 7.891 128.750 121.300 -0.735 0.000 2.485 135 W HA 0.468 5.127 4.660 -0.000 0.000 0.315 135 W C -0.592 175.445 176.519 -0.803 0.000 1.304 135 W CA -1.742 54.926 57.345 -1.128 0.000 1.345 135 W CB 0.269 28.913 29.460 -1.360 0.000 1.368 135 W HN 0.659 nan 8.180 nan 0.000 0.497 136 A N 5.769 128.372 122.820 -0.363 0.000 3.037 136 A HA 0.091 4.411 4.320 -0.000 0.000 0.272 136 A C 1.454 178.752 177.584 -0.476 0.000 1.723 136 A CA 0.076 52.047 52.037 -0.111 0.000 1.413 136 A CB -0.646 18.489 19.000 0.226 0.000 1.112 136 A HN 0.859 nan 8.150 nan 0.000 0.606 137 E N 1.383 120.958 120.200 -1.041 0.000 2.015 137 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 137 E C 2.035 178.368 176.600 -0.445 0.000 0.991 137 E CA 1.324 57.059 56.400 -1.109 0.000 0.802 137 E CB -0.083 28.621 29.700 -1.661 0.000 0.759 137 E HN 0.718 nan 8.360 nan 0.000 0.447 138 R N -0.694 119.644 120.500 -0.270 0.000 2.075 138 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 138 R C 2.296 178.630 176.300 0.056 0.000 1.126 138 R CA 1.484 57.528 56.100 -0.092 0.000 0.963 138 R CB -0.401 29.888 30.300 -0.018 0.000 0.858 138 R HN 0.260 nan 8.270 nan 0.000 0.435 139 F N 0.436 120.408 119.950 0.036 0.000 2.113 139 F HA 0.031 4.558 4.527 -0.000 0.000 0.297 139 F C 2.055 177.941 175.800 0.143 0.000 1.103 139 F CA 1.970 60.093 58.000 0.205 0.000 1.248 139 F CB -0.779 38.288 39.000 0.113 0.000 0.999 139 F HN 0.100 nan 8.300 nan 0.000 0.475 140 G N -0.045 108.788 108.800 0.055 0.000 2.418 140 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 140 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 140 G C 1.718 176.531 174.900 -0.145 0.000 1.158 140 G CA 0.876 45.935 45.100 -0.068 0.000 0.771 140 G HN 0.347 nan 8.290 nan 0.000 0.545 141 K N -0.662 119.650 120.400 -0.146 0.000 2.186 141 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 141 K C 2.502 178.969 176.600 -0.221 0.000 1.052 141 K CA 0.752 56.945 56.287 -0.155 0.000 0.965 141 K CB 0.041 32.458 32.500 -0.138 0.000 0.746 141 K HN 0.179 nan 8.250 nan 0.000 0.457 142 Q N -0.611 119.006 119.800 -0.304 0.000 2.269 142 Q HA 0.055 4.394 4.340 -0.000 0.000 0.201 142 Q C 0.830 176.387 176.000 -0.738 0.000 0.946 142 Q CA 1.306 56.787 55.803 -0.537 0.000 0.877 142 Q CB 0.345 28.660 28.738 -0.706 0.000 0.963 142 Q HN 0.225 nan 8.270 nan 0.000 0.472 143 F N -2.825 116.908 119.950 -0.361 0.000 2.711 143 F HA 0.185 4.712 4.527 -0.000 0.000 0.296 143 F C 0.859 176.358 175.800 -0.502 0.000 1.096 143 F CA -0.089 57.656 58.000 -0.424 0.000 1.280 143 F CB 0.726 39.347 39.000 -0.632 0.000 1.060 143 F HN -0.035 nan 8.300 nan 0.000 0.608 144 L N -0.752 120.265 121.223 -0.343 0.000 2.878 144 L HA 0.452 4.792 4.340 -0.000 0.000 0.253 144 L C 1.481 178.228 176.870 -0.204 0.000 1.135 144 L CA 0.415 55.044 54.840 -0.352 0.000 0.943 144 L CB -0.150 41.659 42.059 -0.416 0.000 1.307 144 L HN 0.189 nan 8.230 nan 0.000 0.545 145 G N 0.696 109.395 108.800 -0.169 0.000 2.198 145 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 145 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 145 G C 0.267 175.127 174.900 -0.067 0.000 1.025 145 G CA 0.589 45.624 45.100 -0.109 0.000 0.769 145 G HN 0.273 nan 8.290 nan 0.000 0.507 146 M N 0.647 120.209 119.600 -0.063 0.000 2.294 146 M HA 0.308 4.788 4.480 -0.000 0.000 0.335 146 M C 1.410 177.740 176.300 0.049 0.000 1.079 146 M CA -0.713 54.589 55.300 0.003 0.000 0.982 146 M CB 1.271 33.879 32.600 0.013 0.000 1.651 146 M HN 0.259 nan 8.290 nan 0.000 0.437 147 N N 0.521 119.287 118.700 0.110 0.000 2.395 147 N HA -0.066 4.674 4.740 -0.000 0.000 0.175 147 N C -0.021 175.708 175.510 0.366 0.000 1.029 147 N CA 0.763 53.936 53.050 0.206 0.000 0.897 147 N CB 0.242 38.834 38.487 0.175 0.000 0.991 147 N HN 0.581 nan 8.380 nan 0.000 0.441 148 D N 0.533 121.110 120.400 0.295 0.000 2.892 148 D HA 0.214 4.854 4.640 -0.000 0.000 0.291 148 D C -1.063 175.504 176.300 0.445 0.000 1.341 148 D CA -0.497 53.739 54.000 0.394 0.000 0.844 148 D CB -0.151 40.843 40.800 0.325 0.000 1.093 148 D HN 0.124 nan 8.370 nan 0.000 0.480 149 L N 0.722 122.119 121.223 0.290 0.000 2.312 149 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 149 L C -1.433 175.542 176.870 0.175 0.000 1.070 149 L CA -0.260 54.757 54.840 0.295 0.000 0.805 149 L CB 0.600 42.785 42.059 0.210 0.000 1.174 149 L HN -0.058 nan 8.230 nan 0.000 0.434 150 W N 4.095 125.615 121.300 0.368 0.000 2.915 150 W HA 0.669 5.329 4.660 -0.000 0.000 0.337 150 W C -1.179 175.523 176.519 0.306 0.000 1.102 150 W CA -0.710 56.858 57.345 0.372 0.000 1.224 150 W CB 2.023 31.713 29.460 0.384 0.000 1.416 150 W HN 0.210 nan 8.180 nan 0.000 0.503 151 V N 3.081 123.317 119.914 0.537 0.000 2.409 151 V HA 0.285 4.405 4.120 -0.000 0.000 0.291 151 V C -0.195 176.176 176.094 0.461 0.000 1.020 151 V CA -1.340 61.204 62.300 0.407 0.000 0.848 151 V CB 1.353 33.360 31.823 0.307 0.000 0.990 151 V HN 0.329 nan 8.190 nan 0.000 0.430 152 K N 3.577 124.169 120.400 0.319 0.000 2.292 152 K HA 0.202 4.522 4.320 -0.000 0.000 0.290 152 K C 0.296 177.051 176.600 0.258 0.000 1.083 152 K CA 0.212 56.666 56.287 0.279 0.000 0.918 152 K CB -0.150 32.479 32.500 0.214 0.000 1.089 152 K HN 0.692 nan 8.250 nan 0.000 0.473 153 H N 4.898 124.035 119.070 0.112 0.000 2.799 153 H HA 0.043 4.599 4.556 -0.000 0.000 0.225 153 H C 0.433 175.821 175.328 0.099 0.000 1.904 153 H CA -0.457 55.633 56.048 0.070 0.000 1.344 153 H CB 0.081 29.875 29.762 0.052 0.000 1.744 153 H HN 0.723 nan 8.280 nan 0.000 0.542 154 C N 0.537 119.940 119.300 0.172 0.000 2.419 154 C HA -0.087 4.373 4.460 -0.000 0.000 0.283 154 C C 2.766 177.884 174.990 0.213 0.000 1.373 154 C CA 1.042 60.178 59.018 0.197 0.000 1.781 154 C CB -1.041 26.840 27.740 0.234 0.000 1.886 154 C HN 0.870 nan 8.230 nan 0.000 0.520 155 G N 0.348 109.257 108.800 0.182 0.000 2.509 155 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.218 155 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.218 155 G C 0.734 175.811 174.900 0.294 0.000 1.124 155 G CA 0.121 45.355 45.100 0.224 0.000 0.776 155 G HN 0.616 nan 8.290 nan 0.000 0.547 156 I N 1.875 122.612 120.570 0.279 0.000 2.270 156 I HA 0.239 4.409 4.170 -0.000 0.000 0.294 156 I C 0.372 176.610 176.117 0.203 0.000 1.164 156 I CA -0.063 61.411 61.300 0.289 0.000 1.680 156 I CB -0.012 38.150 38.000 0.271 0.000 1.494 156 I HN -0.011 nan 8.210 nan 0.000 0.767 157 S N 1.141 116.957 115.700 0.193 0.000 2.697 157 S HA 0.280 4.750 4.470 -0.000 0.000 0.289 157 S C 0.943 175.651 174.600 0.180 0.000 1.149 157 S CA -0.526 57.786 58.200 0.186 0.000 0.850 157 S CB 1.182 64.499 63.200 0.196 0.000 1.151 157 S HN 0.629 nan 8.310 nan 0.000 0.491 158 H N 0.822 119.962 119.070 0.116 0.000 2.321 158 H HA -0.116 4.440 4.556 -0.000 0.000 0.295 158 H C 1.842 177.204 175.328 0.057 0.000 1.102 158 H CA 3.144 59.238 56.048 0.076 0.000 1.266 158 H CB 0.051 29.843 29.762 0.049 0.000 1.363 158 H HN 0.573 nan 8.280 nan 0.000 0.492 159 T N -4.173 110.537 114.554 0.261 0.000 3.069 159 T HA 0.289 4.639 4.350 -0.000 0.000 0.252 159 T C 1.483 176.242 174.700 0.098 0.000 1.053 159 T CA 0.424 62.623 62.100 0.166 0.000 0.964 159 T CB 0.515 69.497 68.868 0.191 0.000 1.005 159 T HN 0.627 nan 8.240 nan 0.000 0.532 160 G N 1.056 109.929 108.800 0.122 0.000 2.144 160 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 160 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 160 G C 0.111 175.115 174.900 0.174 0.000 0.988 160 G CA 0.249 45.431 45.100 0.136 0.000 0.659 160 G HN 1.497 nan 8.290 nan 0.000 0.522 161 S N -0.790 115.000 115.700 0.150 0.000 2.638 161 S HA 0.840 5.310 4.470 -0.000 0.000 0.274 161 S C 0.149 174.832 174.600 0.138 0.000 1.157 161 S CA -0.369 57.924 58.200 0.156 0.000 0.826 161 S CB 1.745 64.985 63.200 0.067 0.000 1.139 161 S HN 1.621 nan 8.310 nan 0.000 0.474 165 L N 1.158 122.335 121.223 -0.076 0.000 2.083 165 L HA 0.031 4.371 4.340 -0.000 0.000 0.209 165 L C 2.428 179.176 176.870 -0.203 0.000 1.083 165 L CA 2.053 56.816 54.840 -0.127 0.000 0.752 165 L CB -0.473 41.545 42.059 -0.068 0.000 0.899 165 L HN 0.125 nan 8.230 nan 0.000 0.433 166 G N -0.672 108.029 108.800 -0.165 0.000 2.396 166 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 166 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 166 G C 1.587 176.365 174.900 -0.203 0.000 1.166 166 G CA 0.190 45.200 45.100 -0.151 0.000 0.793 166 G HN 0.059 nan 8.290 nan 0.000 0.533 167 M N 0.890 120.311 119.600 -0.299 0.000 2.296 167 M HA 0.005 4.485 4.480 -0.000 0.000 0.265 167 M C 2.577 178.533 176.300 -0.574 0.000 1.064 167 M CA 1.077 56.144 55.300 -0.388 0.000 1.109 167 M CB -1.294 31.067 32.600 -0.399 0.000 1.396 167 M HN 0.262 nan 8.290 nan 0.000 0.430 168 T N 0.541 114.669 114.554 -0.711 0.000 2.833 168 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 168 T C 1.814 176.578 174.700 0.107 0.000 1.054 168 T CA 1.133 63.042 62.100 -0.318 0.000 1.135 168 T CB 0.059 68.937 68.868 0.017 0.000 0.869 168 T HN 0.156 nan 8.240 nan 0.000 0.466 169 V N 1.071 120.959 119.914 -0.043 0.000 2.302 169 V HA 0.010 4.130 4.120 -0.000 0.000 0.243 169 V C 2.453 178.588 176.094 0.068 0.000 1.036 169 V CA 1.468 63.800 62.300 0.054 0.000 1.020 169 V CB -0.730 31.020 31.823 -0.121 0.000 0.657 169 V HN 0.391 nan 8.190 nan 0.000 0.453 170 L N 0.173 121.387 121.223 -0.015 0.000 1.970 170 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 170 L C 2.383 179.212 176.870 -0.068 0.000 1.071 170 L CA 2.038 56.861 54.840 -0.028 0.000 0.751 170 L CB -0.452 41.599 42.059 -0.014 0.000 0.889 170 L HN 0.124 nan 8.230 nan 0.000 0.432 171 V N -1.002 118.887 119.914 -0.043 0.000 2.407 171 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 171 V C 2.582 178.692 176.094 0.026 0.000 1.055 171 V CA 1.808 64.104 62.300 -0.006 0.000 1.049 171 V CB -0.657 31.207 31.823 0.069 0.000 0.662 171 V HN 0.504 nan 8.190 nan 0.000 0.455 172 S N -0.534 115.216 115.700 0.084 0.000 2.359 172 S HA -0.326 4.144 4.470 -0.000 0.000 0.224 172 S C 2.028 176.649 174.600 0.034 0.000 1.035 172 S CA 2.066 60.313 58.200 0.078 0.000 1.018 172 S CB -0.328 62.964 63.200 0.153 0.000 0.876 172 S HN 0.627 nan 8.310 nan 0.000 0.448 173 Q N 1.000 120.819 119.800 0.033 0.000 2.079 173 Q HA -0.016 4.324 4.340 -0.000 0.000 0.200 173 Q C 1.990 177.955 176.000 -0.058 0.000 0.974 173 Q CA 1.382 57.186 55.803 0.001 0.000 0.840 173 Q CB -0.444 28.299 28.738 0.010 0.000 0.898 173 Q HN 0.353 nan 8.270 nan 0.000 0.430 174 V N 1.267 121.098 119.914 -0.138 0.000 2.407 174 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 174 V C 2.131 178.186 176.094 -0.065 0.000 1.055 174 V CA 1.844 64.039 62.300 -0.175 0.000 1.049 174 V CB -0.895 30.763 31.823 -0.276 0.000 0.662 174 V HN 0.469 nan 8.190 nan 0.000 0.455 175 N N 0.666 119.347 118.700 -0.032 0.000 2.069 175 N HA -0.236 4.504 4.740 -0.000 0.000 0.191 175 N C 2.034 177.541 175.510 -0.004 0.000 1.031 175 N CA 1.993 55.040 53.050 -0.006 0.000 0.852 175 N CB -0.356 38.137 38.487 0.010 0.000 1.018 175 N HN 0.427 nan 8.380 nan 0.000 0.423 176 R N 0.305 120.802 120.500 -0.004 0.000 2.083 176 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 176 R C 2.134 178.439 176.300 0.008 0.000 1.137 176 R CA 1.348 57.450 56.100 0.003 0.000 0.951 176 R CB -0.446 29.859 30.300 0.007 0.000 0.851 176 R HN 0.298 nan 8.270 nan 0.000 0.434 177 L N 0.269 121.495 121.223 0.005 0.000 2.017 177 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 177 L C 2.861 179.742 176.870 0.018 0.000 1.073 177 L CA 1.615 56.465 54.840 0.017 0.000 0.745 177 L CB -0.515 41.557 42.059 0.022 0.000 0.894 177 L HN 0.256 nan 8.230 nan 0.000 0.432 178 R N 0.396 120.903 120.500 0.011 0.000 2.083 178 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 178 R C 2.287 178.594 176.300 0.011 0.000 1.137 178 R CA 1.452 57.559 56.100 0.013 0.000 0.951 178 R CB -0.302 30.003 30.300 0.009 0.000 0.851 178 R HN 0.350 nan 8.270 nan 0.000 0.434 179 K N 0.133 120.539 120.400 0.009 0.000 2.283 179 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 179 K C 1.729 178.335 176.600 0.010 0.000 1.048 179 K CA 1.022 57.313 56.287 0.008 0.000 0.948 179 K CB 0.029 32.532 32.500 0.005 0.000 0.742 179 K HN 0.192 nan 8.250 nan 0.000 0.458 180 M N 0.391 120.000 119.600 0.014 0.000 2.628 180 M HA 0.028 4.508 4.480 -0.000 0.000 0.232 180 M C -0.221 176.090 176.300 0.018 0.000 1.128 180 M CA 0.580 55.891 55.300 0.017 0.000 1.040 180 M CB 0.207 32.820 32.600 0.021 0.000 1.608 180 M HN -0.018 nan 8.290 nan 0.000 0.507 181 K N 0.726 121.136 120.400 0.017 0.000 3.129 181 K HA -0.136 4.184 4.320 -0.000 0.000 0.273 181 K C -0.676 175.937 176.600 0.022 0.000 1.123 181 K CA 0.399 56.696 56.287 0.017 0.000 0.800 181 K CB -0.904 31.604 32.500 0.014 0.000 1.238 181 K HN 0.336 nan 8.250 nan 0.000 0.492 182 R N 0.584 121.100 120.500 0.027 0.000 2.531 182 R HA 0.164 4.504 4.340 -0.000 0.000 0.273 182 R C -2.047 174.276 176.300 0.038 0.000 1.070 182 R CA -1.760 54.361 56.100 0.035 0.000 1.112 182 R CB -0.147 30.178 30.300 0.043 0.000 1.049 182 R HN 0.004 nan 8.270 nan 0.000 0.508 183 P HA 0.085 nan 4.420 nan 0.000 0.235 183 P C -0.746 176.591 177.300 0.061 0.000 1.765 183 P CA 0.066 63.192 63.100 0.043 0.000 1.034 183 P CB 0.055 31.778 31.700 0.037 0.000 1.984 184 V N 2.801 122.752 119.914 0.062 0.000 2.340 184 V HA 0.061 4.181 4.120 -0.000 0.000 0.277 184 V C 1.373 177.500 176.094 0.056 0.000 1.017 184 V CA -0.504 61.845 62.300 0.082 0.000 0.820 184 V CB 1.718 33.600 31.823 0.099 0.000 1.028 184 V HN 0.190 nan 8.190 nan 0.000 0.436 185 V N 1.125 121.069 119.914 0.051 0.000 3.649 185 V HA 0.779 4.899 4.120 -0.000 0.000 0.275 185 V C 0.779 176.894 176.094 0.034 0.000 1.281 185 V CA 0.921 63.240 62.300 0.032 0.000 1.143 185 V CB -0.251 31.584 31.823 0.019 0.000 0.892 185 V HN 1.035 nan 8.190 nan 0.000 0.441 186 G N -0.971 107.861 108.800 0.055 0.000 2.320 186 G HA2 0.448 4.408 3.960 -0.000 0.000 0.297 186 G HA3 0.448 4.408 3.960 -0.000 0.000 0.297 186 G C -1.631 173.324 174.900 0.092 0.000 1.344 186 G CA -0.048 45.088 45.100 0.060 0.000 0.851 186 G HN 0.448 nan 8.290 nan 0.000 0.567 187 V N 0.051 120.018 119.914 0.088 0.000 2.495 187 V HA 0.863 4.983 4.120 -0.000 0.000 0.298 187 V C 0.829 176.961 176.094 0.064 0.000 1.031 187 V CA 0.144 62.514 62.300 0.117 0.000 0.871 187 V CB 1.427 33.318 31.823 0.114 0.000 0.988 187 V HN 1.439 nan 8.190 nan 0.000 0.432 188 G N 1.588 110.399 108.800 0.019 0.000 2.453 188 G HA2 0.742 4.702 3.960 -0.000 0.000 0.323 188 G HA3 0.742 4.702 3.960 -0.000 0.000 0.323 188 G C -0.702 174.130 174.900 -0.114 0.000 1.198 188 G CA -0.247 44.794 45.100 -0.098 0.000 0.959 188 G HN 1.342 nan 8.290 nan 0.000 0.482 189 C N -1.054 118.154 119.300 -0.153 0.000 3.306 189 C HA 0.907 5.367 4.460 -0.000 0.000 0.335 189 C C -0.660 174.273 174.990 -0.094 0.000 1.382 189 C CA -0.254 58.698 59.018 -0.111 0.000 1.254 189 C CB 1.158 28.888 27.740 -0.017 0.000 1.555 189 C HN 1.891 nan 8.230 nan 0.000 0.463 190 A N 1.863 124.658 122.820 -0.042 0.000 2.768 190 A HA 0.812 5.132 4.320 -0.000 0.000 0.299 190 A C -0.565 177.102 177.584 0.139 0.000 1.171 190 A CA 0.426 52.477 52.037 0.024 0.000 0.759 190 A CB 0.571 19.534 19.000 -0.063 0.000 1.267 190 A HN 1.895 nan 8.150 nan 0.000 0.421 191 S N 0.181 116.035 115.700 0.256 0.000 2.607 191 S HA 0.656 5.126 4.470 -0.000 0.000 0.273 191 S C -0.220 174.536 174.600 0.261 0.000 1.148 191 S CA -0.211 58.229 58.200 0.399 0.000 0.833 191 S CB 1.381 64.727 63.200 0.243 0.000 1.130 191 S HN 0.638 nan 8.310 nan 0.000 0.470 192 T N 3.183 117.835 114.554 0.163 0.000 3.182 192 T HA 0.443 4.793 4.350 -0.000 0.000 0.274 192 T C 1.432 176.181 174.700 0.082 0.000 0.997 192 T CA 0.499 62.652 62.100 0.088 0.000 1.082 192 T CB -0.625 68.239 68.868 -0.007 0.000 1.005 192 T HN 1.263 nan 8.240 nan 0.000 0.688 193 G N 4.148 112.996 108.800 0.080 0.000 5.266 193 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.262 193 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.262 193 G C 1.067 175.992 174.900 0.041 0.000 1.359 193 G CA 0.469 45.599 45.100 0.050 0.000 0.955 193 G HN 0.573 nan 8.290 nan 0.000 0.754 194 D N 0.484 120.910 120.400 0.044 0.000 2.133 194 D HA -0.095 4.545 4.640 -0.000 0.000 0.192 194 D C 2.584 178.876 176.300 -0.014 0.000 1.001 194 D CA 2.210 56.221 54.000 0.018 0.000 0.844 194 D CB -0.647 40.171 40.800 0.030 0.000 0.944 194 D HN 0.530 nan 8.370 nan 0.000 0.447 195 T N 0.234 114.789 114.554 0.001 0.000 2.812 195 T HA -0.103 4.247 4.350 -0.000 0.000 0.264 195 T C 2.211 176.928 174.700 0.028 0.000 1.042 195 T CA 1.683 63.781 62.100 -0.003 0.000 1.140 195 T CB -0.171 68.713 68.868 0.025 0.000 0.870 195 T HN 0.219 nan 8.240 nan 0.000 0.445 196 S N 1.919 117.650 115.700 0.052 0.000 2.406 196 S HA 0.149 4.619 4.470 -0.000 0.000 0.228 196 S C 2.439 177.081 174.600 0.070 0.000 1.020 196 S CA 0.691 58.930 58.200 0.066 0.000 0.965 196 S CB -0.569 62.677 63.200 0.077 0.000 0.798 196 S HN 0.468 nan 8.310 nan 0.000 0.488 197 A N 2.389 125.246 122.820 0.061 0.000 1.877 197 A HA 0.236 4.555 4.320 -0.000 0.000 0.216 197 A C 2.546 180.195 177.584 0.108 0.000 1.186 197 A CA 1.885 53.965 52.037 0.071 0.000 0.620 197 A CB -1.529 17.501 19.000 0.050 0.000 0.822 197 A HN 0.816 nan 8.150 nan 0.000 0.443 198 A N -0.517 122.365 122.820 0.103 0.000 1.855 198 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 198 A C 2.177 179.887 177.584 0.210 0.000 1.191 198 A CA 1.709 53.845 52.037 0.166 0.000 0.613 198 A CB -0.771 18.267 19.000 0.065 0.000 0.829 198 A HN 0.743 nan 8.150 nan 0.000 0.442 199 L N 0.139 121.431 121.223 0.114 0.000 1.989 199 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 199 L C 2.544 179.499 176.870 0.142 0.000 1.071 199 L CA 2.802 57.708 54.840 0.110 0.000 0.749 199 L CB -0.649 41.454 42.059 0.073 0.000 0.890 199 L HN 0.301 nan 8.230 nan 0.000 0.431 200 S N -0.194 115.577 115.700 0.118 0.000 2.368 200 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 200 S C 2.085 176.745 174.600 0.100 0.000 1.030 200 S CA 1.101 59.364 58.200 0.105 0.000 0.999 200 S CB -0.717 62.538 63.200 0.092 0.000 0.844 200 S HN 0.696 nan 8.310 nan 0.000 0.459 201 A N 0.577 123.461 122.820 0.107 0.000 1.883 201 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 201 A C 1.929 179.481 177.584 -0.053 0.000 1.186 201 A CA 1.568 53.627 52.037 0.037 0.000 0.624 201 A CB -1.007 18.017 19.000 0.041 0.000 0.822 201 A HN 0.550 nan 8.150 nan 0.000 0.444 202 Y N -0.814 119.470 120.300 -0.028 0.000 2.242 202 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 202 Y C 2.868 178.769 175.900 0.001 0.000 1.137 202 Y CA 1.175 59.259 58.100 -0.027 0.000 1.181 202 Y CB -0.673 37.782 38.460 -0.008 0.000 0.989 202 Y HN 0.388 nan 8.280 nan 0.000 0.527 203 C N -0.713 118.683 119.300 0.160 0.000 2.425 203 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 203 C C 2.989 178.016 174.990 0.062 0.000 1.280 203 C CA 1.018 60.095 59.018 0.097 0.000 1.744 203 C CB -1.444 26.349 27.740 0.088 0.000 1.989 203 C HN 0.630 nan 8.230 nan 0.000 0.491 204 A N 1.407 124.257 122.820 0.051 0.000 1.877 204 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 204 A C 2.298 179.889 177.584 0.012 0.000 1.186 204 A CA 2.408 54.465 52.037 0.033 0.000 0.620 204 A CB -1.002 18.019 19.000 0.035 0.000 0.822 204 A HN 0.703 nan 8.150 nan 0.000 0.443 205 S N -0.011 115.682 115.700 -0.012 0.000 2.400 205 S HA 0.058 4.528 4.470 -0.000 0.000 0.232 205 S C 1.721 176.315 174.600 -0.010 0.000 1.025 205 S CA 1.271 59.455 58.200 -0.028 0.000 0.993 205 S CB -0.465 62.689 63.200 -0.078 0.000 0.808 205 S HN 0.980 nan 8.310 nan 0.000 0.478 206 A N 0.573 123.400 122.820 0.012 0.000 2.308 206 A HA 0.607 4.927 4.320 -0.000 0.000 0.217 206 A C 1.548 179.140 177.584 0.012 0.000 1.216 206 A CA 0.320 52.368 52.037 0.017 0.000 0.864 206 A CB -0.946 18.078 19.000 0.040 0.000 0.902 206 A HN 1.527 nan 8.150 nan 0.000 0.499 207 G N -0.137 108.670 108.800 0.013 0.000 2.246 207 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.273 207 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.273 207 G C -0.109 174.801 174.900 0.017 0.000 1.055 207 G CA 0.436 45.543 45.100 0.012 0.000 0.851 207 G HN 0.513 nan 8.290 nan 0.000 0.500 208 I N 0.726 121.313 120.570 0.028 0.000 2.339 208 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 208 I C -2.009 174.132 176.117 0.041 0.000 0.994 208 I CA -2.598 58.721 61.300 0.031 0.000 1.191 208 I CB 1.852 39.873 38.000 0.034 0.000 1.343 208 I HN -0.140 nan 8.210 nan 0.000 0.458 209 P HA 0.003 nan 4.420 nan 0.000 0.264 209 P C -0.622 176.720 177.300 0.070 0.000 1.193 209 P CA 0.064 63.191 63.100 0.046 0.000 0.763 209 P CB 0.674 32.385 31.700 0.020 0.000 0.810 210 S N 3.312 119.070 115.700 0.097 0.000 2.478 210 S HA 0.612 5.082 4.470 -0.000 0.000 0.312 210 S C -0.720 173.972 174.600 0.154 0.000 1.094 210 S CA -0.711 57.554 58.200 0.108 0.000 1.081 210 S CB -0.047 63.214 63.200 0.101 0.000 1.007 210 S HN 0.191 nan 8.310 nan 0.000 0.475 211 I N 4.867 125.518 120.570 0.134 0.000 2.389 211 I HA 0.462 4.632 4.170 -0.000 0.000 0.288 211 I C -0.939 175.244 176.117 0.111 0.000 0.999 211 I CA -0.672 60.738 61.300 0.184 0.000 1.129 211 I CB 1.971 40.071 38.000 0.168 0.000 1.288 211 I HN 0.336 nan 8.210 nan 0.000 0.444 212 V N 6.685 126.714 119.914 0.192 0.000 2.487 212 V HA 0.434 4.554 4.120 -0.000 0.000 0.298 212 V C -0.480 175.846 176.094 0.387 0.000 1.028 212 V CA -0.618 61.792 62.300 0.183 0.000 0.860 212 V CB 1.649 33.547 31.823 0.126 0.000 0.991 212 V HN 0.440 nan 8.190 nan 0.000 0.427 213 F N 5.298 125.246 119.950 -0.004 0.000 2.411 213 F HA 0.688 5.215 4.527 -0.000 0.000 0.352 213 F C -0.133 175.662 175.800 -0.009 0.000 1.123 213 F CA -0.744 57.240 58.000 -0.025 0.000 1.044 213 F CB 1.464 40.438 39.000 -0.044 0.000 1.135 213 F HN 0.220 nan 8.300 nan 0.000 0.461 214 L N 5.414 126.707 121.223 0.117 0.000 2.409 214 L HA 0.483 4.823 4.340 -0.000 0.000 0.262 214 L C -2.421 174.471 176.870 0.038 0.000 0.992 214 L CA -2.304 52.593 54.840 0.095 0.000 0.817 214 L CB 2.905 45.017 42.059 0.088 0.000 1.350 214 L HN 0.305 nan 8.230 nan 0.000 0.411 215 P HA 0.032 nan 4.420 nan 0.000 0.269 215 P C -0.134 177.175 177.300 0.016 0.000 1.215 215 P CA -0.074 63.049 63.100 0.039 0.000 0.780 215 P CB 1.197 32.945 31.700 0.081 0.000 0.898 216 A N 3.603 126.420 122.820 -0.005 0.000 1.832 216 A HA -0.168 4.152 4.320 -0.000 0.000 0.214 216 A C 1.833 179.417 177.584 -0.000 0.000 1.204 216 A CA 1.824 53.853 52.037 -0.013 0.000 0.606 216 A CB -1.417 17.568 19.000 -0.025 0.000 0.849 216 A HN 0.521 nan 8.150 nan 0.000 0.445 217 N N -0.376 118.326 118.700 0.004 0.000 2.250 217 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 217 N C 1.393 176.913 175.510 0.015 0.000 1.017 217 N CA 1.176 54.230 53.050 0.007 0.000 0.866 217 N CB -0.221 38.269 38.487 0.005 0.000 0.985 217 N HN 0.324 nan 8.380 nan 0.000 0.429 218 K N 0.242 120.657 120.400 0.025 0.000 2.360 218 K HA 0.120 4.440 4.320 -0.000 0.000 0.201 218 K C -0.008 176.613 176.600 0.035 0.000 1.046 218 K CA 0.511 56.817 56.287 0.032 0.000 0.945 218 K CB 0.333 32.863 32.500 0.051 0.000 0.750 218 K HN 0.238 nan 8.250 nan 0.000 0.464 219 I N -0.644 119.947 120.570 0.034 0.000 2.571 219 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 219 I C 0.012 176.143 176.117 0.023 0.000 1.134 219 I CA -0.174 61.147 61.300 0.035 0.000 1.052 219 I CB 1.734 39.763 38.000 0.050 0.000 1.237 219 I HN -0.018 nan 8.210 nan 0.000 0.435 220 S N 6.343 122.054 115.700 0.020 0.000 2.326 220 S HA 0.226 4.695 4.470 -0.000 0.000 0.177 220 S C 0.993 175.598 174.600 0.010 0.000 1.249 220 S CA 0.781 58.989 58.200 0.013 0.000 1.797 220 S CB 0.101 63.309 63.200 0.014 0.000 0.744 220 S HN 0.755 nan 8.310 nan 0.000 0.375 221 M N -0.920 118.686 119.600 0.010 0.000 2.109 221 M HA 0.274 4.754 4.480 -0.000 0.000 0.372 221 M C 1.566 177.871 176.300 0.007 0.000 0.840 221 M CA 0.109 55.413 55.300 0.007 0.000 1.128 221 M CB 0.320 32.922 32.600 0.003 0.000 2.136 221 M HN 0.402 nan 8.290 nan 0.000 0.723 222 A N 0.756 123.582 122.820 0.009 0.000 1.873 222 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 222 A C 1.941 179.523 177.584 -0.004 0.000 1.186 222 A CA 1.219 53.259 52.037 0.005 0.000 0.616 222 A CB -0.268 18.739 19.000 0.012 0.000 0.823 222 A HN 0.471 nan 8.150 nan 0.000 0.442 223 Q N -0.128 119.673 119.800 0.002 0.000 2.230 223 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 223 Q C 1.650 177.648 176.000 -0.004 0.000 0.963 223 Q CA 1.306 57.104 55.803 -0.008 0.000 0.866 223 Q CB -0.455 28.293 28.738 0.017 0.000 0.931 223 Q HN 0.847 nan 8.270 nan 0.000 0.452 224 L N -2.774 118.455 121.223 0.010 0.000 2.741 224 L HA 0.339 4.679 4.340 -0.000 0.000 0.237 224 L C 1.659 178.538 176.870 0.014 0.000 1.178 224 L CA -0.119 54.733 54.840 0.019 0.000 0.973 224 L CB 0.080 42.157 42.059 0.030 0.000 1.255 224 L HN -0.227 nan 8.230 nan 0.000 0.498 225 V N 0.496 120.412 119.914 0.004 0.000 2.392 225 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 225 V C 2.457 178.557 176.094 0.010 0.000 1.059 225 V CA 2.199 64.501 62.300 0.004 0.000 1.051 225 V CB -0.103 31.716 31.823 -0.005 0.000 0.658 225 V HN 0.786 nan 8.190 nan 0.000 0.455 226 Q N -0.167 119.640 119.800 0.011 0.000 1.993 226 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 226 Q C 0.211 176.235 176.000 0.040 0.000 0.984 226 Q CA 2.194 58.011 55.803 0.024 0.000 0.837 226 Q CB -1.482 27.271 28.738 0.026 0.000 0.902 226 Q HN 0.542 nan 8.270 nan 0.000 0.423 227 P HA -0.186 nan 4.420 nan 0.000 0.216 227 P C 1.304 178.636 177.300 0.052 0.000 1.153 227 P CA 1.124 64.259 63.100 0.058 0.000 0.858 227 P CB -0.132 31.605 31.700 0.061 0.000 0.789 228 I N -0.097 120.496 120.570 0.039 0.000 2.091 228 I HA -0.273 3.897 4.170 -0.000 0.000 0.239 228 I C 2.240 178.378 176.117 0.036 0.000 1.061 228 I CA 2.225 63.544 61.300 0.032 0.000 1.317 228 I CB -1.924 36.087 38.000 0.018 0.000 1.031 228 I HN -0.059 nan 8.210 nan 0.000 0.401 229 A N 0.604 123.442 122.820 0.030 0.000 1.972 229 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 229 A C 1.946 179.552 177.584 0.037 0.000 1.169 229 A CA 1.746 53.800 52.037 0.028 0.000 0.635 229 A CB -1.165 17.846 19.000 0.019 0.000 0.810 229 A HN 0.603 nan 8.150 nan 0.000 0.446 230 N N -0.658 118.070 118.700 0.046 0.000 2.515 230 N HA 0.233 4.973 4.740 -0.000 0.000 0.191 230 N C 0.851 176.396 175.510 0.059 0.000 1.182 230 N CA 0.343 53.425 53.050 0.054 0.000 0.879 230 N CB -0.007 38.519 38.487 0.064 0.000 0.984 230 N HN 0.616 nan 8.380 nan 0.000 0.453 231 G N 0.412 109.249 108.800 0.062 0.000 2.176 231 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.252 231 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.252 231 G C 0.143 175.105 174.900 0.104 0.000 1.024 231 G CA 0.123 45.268 45.100 0.075 0.000 0.755 231 G HN 0.501 nan 8.290 nan 0.000 0.507 232 A N -0.478 122.407 122.820 0.108 0.000 2.351 232 A HA 0.648 4.968 4.320 -0.000 0.000 0.257 232 A C 0.037 177.740 177.584 0.199 0.000 1.087 232 A CA -0.324 51.799 52.037 0.142 0.000 0.798 232 A CB 0.443 19.512 19.000 0.115 0.000 1.033 232 A HN 1.222 nan 8.150 nan 0.000 0.488 233 F N 3.290 123.279 119.950 0.066 0.000 2.405 233 F HA 0.430 4.957 4.527 -0.000 0.000 0.358 233 F C -0.176 175.685 175.800 0.102 0.000 1.151 233 F CA -0.345 57.700 58.000 0.074 0.000 1.161 233 F CB 0.355 39.402 39.000 0.078 0.000 1.245 233 F HN 0.217 nan 8.300 nan 0.000 0.545 234 V N 7.412 127.190 119.914 -0.226 0.000 2.394 234 V HA 0.323 4.443 4.120 -0.000 0.000 0.282 234 V C -0.305 175.605 176.094 -0.306 0.000 1.031 234 V CA -0.786 61.421 62.300 -0.155 0.000 0.881 234 V CB 1.307 33.094 31.823 -0.060 0.000 0.982 234 V HN 0.399 nan 8.190 nan 0.000 0.451 235 L N 3.952 125.046 121.223 -0.216 0.000 2.307 235 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 235 L C 0.428 177.171 176.870 -0.212 0.000 1.023 235 L CA 0.366 55.026 54.840 -0.300 0.000 0.810 235 L CB 1.913 43.692 42.059 -0.466 0.000 1.231 235 L HN 0.669 nan 8.230 nan 0.000 0.423 236 S N 4.832 120.421 115.700 -0.184 0.000 2.434 236 S HA 0.648 5.118 4.470 -0.000 0.000 0.318 236 S C -0.385 174.132 174.600 -0.139 0.000 1.062 236 S CA -0.523 57.602 58.200 -0.124 0.000 1.116 236 S CB -0.359 62.789 63.200 -0.086 0.000 0.977 236 S HN 0.398 nan 8.310 nan 0.000 0.480 237 I N 3.919 124.405 120.570 -0.141 0.000 2.412 237 I HA 0.305 4.475 4.170 -0.000 0.000 0.296 237 I C -0.129 175.940 176.117 -0.080 0.000 0.987 237 I CA -0.980 60.234 61.300 -0.143 0.000 1.180 237 I CB 1.530 39.408 38.000 -0.203 0.000 1.340 237 I HN 0.543 nan 8.210 nan 0.000 0.455 238 D N 3.654 124.013 120.400 -0.068 0.000 2.671 238 D HA 0.116 4.755 4.640 -0.000 0.000 0.228 238 D C -0.056 176.225 176.300 -0.030 0.000 1.102 238 D CA -0.038 53.938 54.000 -0.041 0.000 1.044 238 D CB 0.369 41.148 40.800 -0.036 0.000 1.113 238 D HN 0.567 nan 8.370 nan 0.000 0.480 239 T N -0.316 114.225 114.554 -0.022 0.000 2.739 239 T HA 0.364 4.714 4.350 -0.000 0.000 0.303 239 T C -1.246 173.464 174.700 0.016 0.000 1.389 239 T CA -0.630 61.465 62.100 -0.008 0.000 1.001 239 T CB 1.262 70.118 68.868 -0.020 0.000 1.436 239 T HN 0.311 nan 8.240 nan 0.000 0.500 240 D N 0.313 120.732 120.400 0.032 0.000 2.376 240 D HA 0.248 4.888 4.640 -0.000 0.000 0.268 240 D C 1.221 177.589 176.300 0.114 0.000 1.252 240 D CA -0.488 53.559 54.000 0.077 0.000 1.041 240 D CB 0.060 40.907 40.800 0.078 0.000 1.109 240 D HN 0.334 nan 8.370 nan 0.000 0.552 241 F N 0.109 120.069 119.950 0.016 0.000 2.134 241 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 241 F C 1.638 177.455 175.800 0.028 0.000 1.097 241 F CA 1.585 59.601 58.000 0.026 0.000 1.264 241 F CB -0.336 38.680 39.000 0.026 0.000 1.001 241 F HN 0.205 nan 8.300 nan 0.000 0.479 242 D N 0.040 120.435 120.400 -0.008 0.000 2.097 242 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 242 D C 2.515 178.740 176.300 -0.125 0.000 0.989 242 D CA 1.551 55.495 54.000 -0.094 0.000 0.827 242 D CB -1.082 39.723 40.800 0.009 0.000 0.966 242 D HN 0.416 nan 8.370 nan 0.000 0.456 243 G N -0.070 108.691 108.800 -0.067 0.000 2.450 243 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 243 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 243 G C 1.843 176.711 174.900 -0.054 0.000 1.130 243 G CA 1.021 46.092 45.100 -0.049 0.000 0.760 243 G HN 0.336 nan 8.290 nan 0.000 0.557 244 C N 0.216 119.464 119.300 -0.086 0.000 2.475 244 C HA 0.193 4.653 4.460 -0.000 0.000 0.279 244 C C 2.884 177.841 174.990 -0.056 0.000 1.322 244 C CA 0.350 59.357 59.018 -0.019 0.000 1.734 244 C CB -0.545 27.184 27.740 -0.019 0.000 2.005 244 C HN 0.377 nan 8.230 nan 0.000 0.495 245 M N 0.900 120.336 119.600 -0.274 0.000 2.175 245 M HA -0.110 4.370 4.480 -0.000 0.000 0.264 245 M C 2.154 178.366 176.300 -0.148 0.000 1.063 245 M CA 1.548 56.677 55.300 -0.284 0.000 1.119 245 M CB -0.784 31.557 32.600 -0.431 0.000 1.377 245 M HN 0.459 nan 8.290 nan 0.000 0.415 246 K N 0.171 120.510 120.400 -0.101 0.000 2.025 246 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 246 K C 1.978 178.571 176.600 -0.012 0.000 1.049 246 K CA 1.019 57.273 56.287 -0.055 0.000 0.933 246 K CB -0.160 32.316 32.500 -0.039 0.000 0.714 246 K HN 0.280 nan 8.250 nan 0.000 0.438 247 L N 0.533 121.785 121.223 0.048 0.000 2.141 247 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 247 L C 2.324 179.317 176.870 0.204 0.000 1.094 247 L CA 0.349 55.280 54.840 0.153 0.000 0.763 247 L CB -0.160 42.014 42.059 0.191 0.000 0.908 247 L HN 0.146 nan 8.230 nan 0.000 0.437 248 I N -0.218 120.391 120.570 0.065 0.000 2.546 248 I HA -0.207 3.963 4.170 -0.000 0.000 0.255 248 I C 2.548 178.544 176.117 -0.202 0.000 1.163 248 I CA 1.304 62.436 61.300 -0.279 0.000 1.457 248 I CB -0.224 37.517 38.000 -0.433 0.000 1.092 248 I HN 0.084 nan 8.210 nan 0.000 0.434 249 R N 0.100 120.521 120.500 -0.130 0.000 2.062 249 R HA -0.097 4.243 4.340 -0.000 0.000 0.229 249 R C 2.143 178.396 176.300 -0.077 0.000 1.128 249 R CA 1.557 57.581 56.100 -0.126 0.000 0.960 249 R CB -0.394 29.841 30.300 -0.109 0.000 0.855 249 R HN 0.412 nan 8.270 nan 0.000 0.432 250 E N 0.412 120.594 120.200 -0.031 0.000 2.118 250 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 250 E C 1.924 178.528 176.600 0.007 0.000 0.992 250 E CA 0.961 57.360 56.400 -0.002 0.000 0.804 250 E CB -0.023 29.691 29.700 0.024 0.000 0.741 250 E HN 0.209 nan 8.360 nan 0.000 0.458 251 I N 0.923 121.503 120.570 0.017 0.000 2.163 251 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 251 I C 2.408 178.511 176.117 -0.022 0.000 1.081 251 I CA 1.424 62.737 61.300 0.022 0.000 1.353 251 I CB -1.444 36.577 38.000 0.036 0.000 1.054 251 I HN 0.059 nan 8.210 nan 0.000 0.407 252 T N 1.303 115.812 114.554 -0.074 0.000 2.803 252 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 252 T C 1.943 176.619 174.700 -0.041 0.000 1.052 252 T CA 1.392 63.446 62.100 -0.077 0.000 1.136 252 T CB -0.214 68.563 68.868 -0.152 0.000 0.864 252 T HN 0.457 nan 8.240 nan 0.000 0.467 253 A N 0.927 123.726 122.820 -0.036 0.000 1.972 253 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 253 A C 2.164 179.745 177.584 -0.004 0.000 1.169 253 A CA 1.475 53.500 52.037 -0.019 0.000 0.635 253 A CB -0.201 18.788 19.000 -0.019 0.000 0.810 253 A HN 0.558 nan 8.150 nan 0.000 0.446 254 E N -1.206 118.996 120.200 0.002 0.000 2.256 254 E HA 0.246 4.596 4.350 -0.000 0.000 0.198 254 E C -0.172 176.436 176.600 0.015 0.000 0.908 254 E CA -0.339 56.067 56.400 0.010 0.000 0.915 254 E CB 0.078 29.787 29.700 0.015 0.000 0.890 254 E HN 0.457 nan 8.360 nan 0.000 0.484 255 L N 3.790 125.023 121.223 0.017 0.000 2.397 255 L HA 0.165 4.505 4.340 -0.000 0.000 0.271 255 L C -1.949 174.935 176.870 0.024 0.000 1.148 255 L CA -1.698 53.155 54.840 0.022 0.000 0.825 255 L CB 0.358 42.434 42.059 0.028 0.000 1.117 255 L HN -0.066 nan 8.230 nan 0.000 0.456 256 P HA 0.135 nan 4.420 nan 0.000 0.232 256 P C -0.484 176.853 177.300 0.061 0.000 1.738 256 P CA 0.433 63.559 63.100 0.044 0.000 0.948 256 P CB -0.365 31.358 31.700 0.039 0.000 1.943 257 I N 1.161 121.765 120.570 0.057 0.000 2.389 257 I HA 0.244 4.414 4.170 -0.000 0.000 0.288 257 I C 0.277 176.459 176.117 0.108 0.000 0.999 257 I CA -1.360 59.984 61.300 0.073 0.000 1.129 257 I CB 1.423 39.439 38.000 0.026 0.000 1.288 257 I HN 0.025 nan 8.210 nan 0.000 0.444 258 Y N 6.808 127.137 120.300 0.048 0.000 2.511 258 Y HA 0.227 4.777 4.550 -0.000 0.000 0.332 258 Y C -0.418 175.509 175.900 0.046 0.000 1.177 258 Y CA -0.096 58.066 58.100 0.103 0.000 1.422 258 Y CB 0.776 39.298 38.460 0.104 0.000 1.271 258 Y HN 0.445 nan 8.280 nan 0.000 0.550 259 L N 6.600 127.674 121.223 -0.248 0.000 2.264 259 L HA 0.594 4.934 4.340 -0.000 0.000 0.289 259 L C -0.592 176.188 176.870 -0.150 0.000 1.044 259 L CA -0.329 54.328 54.840 -0.305 0.000 0.807 259 L CB 0.547 42.210 42.059 -0.661 0.000 1.192 259 L HN 0.714 nan 8.230 nan 0.000 0.425 260 A N 5.596 128.424 122.820 0.014 0.000 2.253 260 A HA 0.657 4.977 4.320 -0.000 0.000 0.316 260 A C -0.340 177.241 177.584 -0.005 0.000 1.327 260 A CA -0.426 51.668 52.037 0.094 0.000 0.917 260 A CB -0.069 19.007 19.000 0.126 0.000 1.162 260 A HN 0.930 nan 8.150 nan 0.000 0.535 261 N N 0.349 119.046 118.700 -0.005 0.000 2.831 261 N HA 0.285 5.024 4.740 -0.000 0.000 0.276 261 N C 0.730 176.255 175.510 0.026 0.000 1.416 261 N CA -0.726 52.309 53.050 -0.025 0.000 0.799 261 N CB 1.792 40.212 38.487 -0.111 0.000 1.554 261 N HN 0.383 nan 8.380 nan 0.000 0.541 262 S N 0.273 115.991 115.700 0.030 0.000 2.447 262 S HA -0.057 4.412 4.470 -0.000 0.000 0.233 262 S C 1.715 176.343 174.600 0.046 0.000 1.006 262 S CA 0.906 59.137 58.200 0.051 0.000 0.957 262 S CB -0.172 63.062 63.200 0.056 0.000 0.773 262 S HN 0.341 nan 8.310 nan 0.000 0.507 263 L N 1.806 123.043 121.223 0.024 0.000 2.141 263 L HA 0.052 4.392 4.340 -0.000 0.000 0.209 263 L C 1.165 178.082 176.870 0.078 0.000 1.094 263 L CA 0.841 55.698 54.840 0.028 0.000 0.763 263 L CB -0.706 41.355 42.059 0.003 0.000 0.908 263 L HN 0.233 nan 8.230 nan 0.000 0.437 264 N N -0.011 118.758 118.700 0.115 0.000 2.434 264 N HA -0.062 4.678 4.740 -0.000 0.000 0.268 264 N C 1.182 176.800 175.510 0.181 0.000 1.256 264 N CA 0.566 53.726 53.050 0.183 0.000 0.914 264 N CB 1.004 39.632 38.487 0.234 0.000 1.088 264 N HN 0.215 nan 8.380 nan 0.000 0.478 265 S N 3.163 118.996 115.700 0.221 0.000 2.481 265 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 265 S C 1.907 176.626 174.600 0.198 0.000 0.996 265 S CA 0.055 58.391 58.200 0.228 0.000 0.942 265 S CB 0.099 63.467 63.200 0.281 0.000 0.768 265 S HN 0.421 nan 8.310 nan 0.000 0.520 266 L N 2.148 123.504 121.223 0.222 0.000 2.042 266 L HA 0.050 4.390 4.340 -0.000 0.000 0.210 266 L C 2.719 179.628 176.870 0.064 0.000 1.076 266 L CA 1.529 56.451 54.840 0.136 0.000 0.749 266 L CB -0.981 41.177 42.059 0.166 0.000 0.893 266 L HN 0.282 nan 8.230 nan 0.000 0.432 267 R N -1.020 119.526 120.500 0.077 0.000 2.096 267 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 267 R C 2.206 178.517 176.300 0.017 0.000 1.127 267 R CA 1.159 57.274 56.100 0.025 0.000 0.968 267 R CB -0.428 29.899 30.300 0.044 0.000 0.861 267 R HN 0.318 nan 8.270 nan 0.000 0.440 268 L N 0.653 121.915 121.223 0.064 0.000 2.083 268 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 268 L C 2.165 179.019 176.870 -0.026 0.000 1.083 268 L CA 0.991 55.864 54.840 0.055 0.000 0.752 268 L CB -0.517 41.623 42.059 0.135 0.000 0.899 268 L HN 0.143 nan 8.230 nan 0.000 0.433 269 E N 0.586 120.774 120.200 -0.020 0.000 2.118 269 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 269 E C 2.194 178.686 176.600 -0.180 0.000 0.992 269 E CA 1.422 57.784 56.400 -0.064 0.000 0.804 269 E CB -0.402 29.290 29.700 -0.014 0.000 0.741 269 E HN 0.529 nan 8.360 nan 0.000 0.458 270 G N 0.580 109.253 108.800 -0.211 0.000 2.396 270 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.214 270 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.214 270 G C 1.528 176.273 174.900 -0.257 0.000 1.166 270 G CA 0.214 45.128 45.100 -0.309 0.000 0.793 270 G HN 0.233 nan 8.290 nan 0.000 0.533 271 Q N 0.387 120.086 119.800 -0.168 0.000 2.170 271 Q HA -0.097 4.243 4.340 -0.000 0.000 0.203 271 Q C 2.415 178.194 176.000 -0.369 0.000 0.976 271 Q CA 1.432 57.143 55.803 -0.153 0.000 0.858 271 Q CB -0.134 28.617 28.738 0.022 0.000 0.907 271 Q HN 0.688 nan 8.270 nan 0.000 0.433 272 K N 0.470 120.663 120.400 -0.343 0.000 2.362 272 K HA -0.090 4.230 4.320 -0.000 0.000 0.200 272 K C 1.766 178.072 176.600 -0.490 0.000 1.046 272 K CA 1.642 57.663 56.287 -0.444 0.000 0.952 272 K CB -0.208 32.108 32.500 -0.306 0.000 0.753 272 K HN 0.141 nan 8.250 nan 0.000 0.466 273 T N -2.090 112.213 114.554 -0.419 0.000 2.995 273 T HA 0.090 4.440 4.350 -0.000 0.000 0.269 273 T C 2.125 176.575 174.700 -0.418 0.000 1.091 273 T CA 0.620 62.479 62.100 -0.402 0.000 1.128 273 T CB -0.117 68.517 68.868 -0.389 0.000 0.891 273 T HN 0.295 nan 8.240 nan 0.000 0.492 274 A N 1.729 124.257 122.820 -0.487 0.000 1.933 274 A HA 0.296 4.616 4.320 -0.000 0.000 0.218 274 A C 2.788 180.117 177.584 -0.426 0.000 1.175 274 A CA 1.760 53.539 52.037 -0.430 0.000 0.628 274 A CB -1.322 17.390 19.000 -0.480 0.000 0.814 274 A HN 0.746 nan 8.150 nan 0.000 0.444 275 A N 0.052 122.419 122.820 -0.755 0.000 1.873 275 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 275 A C 2.088 179.362 177.584 -0.516 0.000 1.186 275 A CA 1.429 52.950 52.037 -0.861 0.000 0.616 275 A CB -0.592 17.465 19.000 -1.572 0.000 0.823 275 A HN 0.492 nan 8.150 nan 0.000 0.442 276 I N -0.554 119.778 120.570 -0.396 0.000 2.286 276 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 276 I C 2.517 178.497 176.117 -0.228 0.000 1.115 276 I CA 1.773 62.962 61.300 -0.185 0.000 1.392 276 I CB -0.375 37.506 38.000 -0.199 0.000 1.065 276 I HN 0.520 nan 8.210 nan 0.000 0.418 277 E N 1.673 121.711 120.200 -0.271 0.000 2.031 277 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 277 E C 2.342 178.803 176.600 -0.231 0.000 0.994 277 E CA 1.433 57.673 56.400 -0.266 0.000 0.800 277 E CB -0.055 29.510 29.700 -0.226 0.000 0.752 277 E HN 0.408 nan 8.360 nan 0.000 0.447 278 I N 0.503 121.008 120.570 -0.108 0.000 2.151 278 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 278 I C 2.264 178.387 176.117 0.009 0.000 1.080 278 I CA 0.715 62.010 61.300 -0.007 0.000 1.339 278 I CB -0.224 37.931 38.000 0.258 0.000 1.039 278 I HN 0.249 nan 8.210 nan 0.000 0.409 279 L N 0.169 121.431 121.223 0.065 0.000 1.989 279 L HA -0.278 4.061 4.340 -0.000 0.000 0.211 279 L C 2.567 179.200 176.870 -0.395 0.000 1.071 279 L CA 1.849 56.706 54.840 0.030 0.000 0.749 279 L CB -1.107 41.067 42.059 0.191 0.000 0.890 279 L HN 0.303 nan 8.230 nan 0.000 0.431 280 Q N -1.020 118.310 119.800 -0.783 0.000 2.084 280 Q HA -0.246 4.093 4.340 -0.000 0.000 0.202 280 Q C 2.171 177.771 176.000 -0.666 0.000 0.978 280 Q CA 1.615 56.704 55.803 -1.189 0.000 0.844 280 Q CB -0.021 28.155 28.738 -0.936 0.000 0.898 280 Q HN 0.556 nan 8.270 nan 0.000 0.426 281 Q N -1.032 118.478 119.800 -0.483 0.000 2.291 281 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 281 Q C 0.414 176.087 176.000 -0.545 0.000 0.976 281 Q CA 0.614 56.136 55.803 -0.468 0.000 0.875 281 Q CB 0.196 28.643 28.738 -0.485 0.000 0.927 281 Q HN 0.301 nan 8.270 nan 0.000 0.450 282 F N 0.963 120.696 119.950 -0.361 0.000 2.730 282 F HA 0.096 4.623 4.527 -0.000 0.000 0.295 282 F C -0.175 175.476 175.800 -0.248 0.000 1.143 282 F CA -0.565 57.240 58.000 -0.326 0.000 1.367 282 F CB 0.226 39.049 39.000 -0.294 0.000 0.970 282 F HN -0.027 nan 8.300 nan 0.000 0.514 283 D N -0.786 119.519 120.400 -0.159 0.000 2.689 283 D HA -0.298 4.342 4.640 -0.000 0.000 0.237 283 D C -0.214 176.119 176.300 0.055 0.000 1.148 283 D CA 0.858 54.791 54.000 -0.111 0.000 0.656 283 D CB -1.634 39.167 40.800 0.003 0.000 1.050 283 D HN 0.645 nan 8.370 nan 0.000 0.426 284 W N -1.126 120.216 121.300 0.068 0.000 4.706 284 W HA -0.261 4.399 4.660 -0.000 0.000 0.366 284 W C 0.504 177.055 176.519 0.053 0.000 1.382 284 W CA 0.223 57.611 57.345 0.071 0.000 0.832 284 W CB -2.339 27.157 29.460 0.061 0.000 2.504 284 W HN 0.241 nan 8.180 nan 0.000 1.403 285 Q N 0.122 120.021 119.800 0.166 0.000 2.322 285 Q HA 0.509 4.849 4.340 -0.000 0.000 0.265 285 Q C -0.003 175.980 176.000 -0.028 0.000 0.985 285 Q CA -0.980 54.854 55.803 0.052 0.000 0.849 285 Q CB 2.426 31.148 28.738 -0.026 0.000 1.274 285 Q HN -0.064 nan 8.270 nan 0.000 0.449 286 V N 5.084 124.973 119.914 -0.042 0.000 2.470 286 V HA 0.171 4.291 4.120 -0.000 0.000 0.276 286 V C -1.639 174.319 176.094 -0.227 0.000 1.040 286 V CA -1.225 61.018 62.300 -0.094 0.000 1.008 286 V CB -0.001 31.776 31.823 -0.077 0.000 0.990 286 V HN 0.675 nan 8.190 nan 0.000 0.477 287 P HA 0.184 nan 4.420 nan 0.000 0.272 287 P C 0.158 177.298 177.300 -0.266 0.000 1.230 287 P CA -0.280 62.630 63.100 -0.316 0.000 0.788 287 P CB 1.197 32.767 31.700 -0.217 0.000 0.949 288 D N -0.026 120.251 120.400 -0.206 0.000 2.137 288 D HA -0.037 4.603 4.640 -0.000 0.000 0.202 288 D C 0.025 175.971 176.300 -0.590 0.000 0.970 288 D CA 1.619 55.418 54.000 -0.336 0.000 0.837 288 D CB 0.087 40.806 40.800 -0.135 0.000 0.981 288 D HN 0.443 nan 8.370 nan 0.000 0.475 289 W N -0.126 121.134 121.300 -0.066 0.000 3.022 289 W HA 0.462 5.122 4.660 -0.000 0.000 0.335 289 W C -1.125 175.375 176.519 -0.031 0.000 1.133 289 W CA -0.758 56.561 57.345 -0.044 0.000 1.219 289 W CB 1.692 31.148 29.460 -0.007 0.000 1.409 289 W HN -0.476 nan 8.180 nan 0.000 0.507 290 V N 4.586 124.614 119.914 0.189 0.000 2.482 290 V HA 0.431 4.550 4.120 -0.000 0.000 0.295 290 V C -0.648 175.489 176.094 0.071 0.000 1.026 290 V CA -0.841 61.525 62.300 0.110 0.000 0.856 290 V CB 1.203 33.074 31.823 0.080 0.000 1.001 290 V HN 0.331 nan 8.190 nan 0.000 0.424 291 I N 5.446 126.035 120.570 0.032 0.000 2.354 291 I HA 0.584 4.754 4.170 -0.000 0.000 0.292 291 I C -0.237 175.811 176.117 -0.115 0.000 0.989 291 I CA -0.261 61.033 61.300 -0.009 0.000 1.188 291 I CB 1.868 39.880 38.000 0.019 0.000 1.342 291 I HN 0.322 nan 8.210 nan 0.000 0.457 292 V N 7.732 127.566 119.914 -0.134 0.000 2.588 292 V HA 0.480 4.600 4.120 -0.000 0.000 0.304 292 V C -2.433 173.601 176.094 -0.100 0.000 1.042 292 V CA -1.949 60.229 62.300 -0.203 0.000 0.877 292 V CB 2.007 33.642 31.823 -0.314 0.000 0.996 292 V HN 0.513 nan 8.190 nan 0.000 0.425 293 P HA 0.312 nan 4.420 nan 0.000 0.271 293 P C -0.020 177.273 177.300 -0.010 0.000 1.220 293 P CA 0.209 63.289 63.100 -0.032 0.000 0.768 293 P CB 0.707 32.402 31.700 -0.009 0.000 0.848 294 G N 2.003 110.821 108.800 0.030 0.000 2.660 294 G HA2 0.490 4.450 3.960 -0.000 0.000 0.305 294 G HA3 0.490 4.450 3.960 -0.000 0.000 0.305 294 G C 0.599 175.544 174.900 0.075 0.000 1.329 294 G CA -0.493 44.644 45.100 0.062 0.000 1.000 294 G HN 0.524 nan 8.290 nan 0.000 0.514 295 G N 1.464 110.315 108.800 0.085 0.000 2.680 295 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.224 295 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.224 295 G C 1.094 176.045 174.900 0.084 0.000 1.454 295 G CA -0.006 45.142 45.100 0.081 0.000 0.900 295 G HN 0.489 nan 8.290 nan 0.000 0.570 296 N N 0.404 119.160 118.700 0.094 0.000 2.383 296 N HA 0.073 4.813 4.740 -0.000 0.000 0.192 296 N C 0.520 176.084 175.510 0.089 0.000 1.141 296 N CA 0.025 53.127 53.050 0.088 0.000 0.851 296 N CB 0.610 39.150 38.487 0.088 0.000 0.976 296 N HN 0.103 nan 8.380 nan 0.000 0.465 297 L N -1.470 119.818 121.223 0.107 0.000 5.051 297 L HA -0.226 4.113 4.340 -0.000 0.000 0.432 297 L C 1.682 178.638 176.870 0.144 0.000 1.055 297 L CA 1.151 56.059 54.840 0.113 0.000 1.095 297 L CB -2.009 40.101 42.059 0.085 0.000 1.957 297 L HN 0.235 nan 8.230 nan 0.000 0.727 298 G N -0.867 108.027 108.800 0.157 0.000 2.404 298 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 298 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 298 G C 1.237 176.297 174.900 0.268 0.000 1.174 298 G CA 0.881 46.103 45.100 0.203 0.000 0.780 298 G HN 0.602 nan 8.290 nan 0.000 0.537 299 N N 0.064 118.917 118.700 0.256 0.000 2.043 299 N HA -0.133 4.607 4.740 -0.000 0.000 0.193 299 N C 2.135 177.840 175.510 0.324 0.000 1.037 299 N CA 0.919 54.119 53.050 0.249 0.000 0.851 299 N CB -0.141 38.392 38.487 0.077 0.000 1.027 299 N HN 0.152 nan 8.380 nan 0.000 0.422 300 I N 0.894 121.617 120.570 0.254 0.000 2.264 300 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 300 I C 1.986 178.323 176.117 0.368 0.000 1.111 300 I CA 1.351 62.808 61.300 0.261 0.000 1.382 300 I CB -0.799 37.301 38.000 0.166 0.000 1.060 300 I HN 0.290 nan 8.210 nan 0.000 0.418 301 Y N 1.730 122.165 120.300 0.225 0.000 2.220 301 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 301 Y C 2.477 178.538 175.900 0.268 0.000 1.129 301 Y CA 1.641 59.894 58.100 0.255 0.000 1.161 301 Y CB -0.523 38.039 38.460 0.171 0.000 0.997 301 Y HN 0.162 nan 8.280 nan 0.000 0.522 302 A N 0.030 122.908 122.820 0.097 0.000 1.908 302 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 302 A C 2.121 179.599 177.584 -0.176 0.000 1.181 302 A CA 1.833 53.809 52.037 -0.103 0.000 0.627 302 A CB -1.517 17.456 19.000 -0.045 0.000 0.818 302 A HN 0.530 nan 8.150 nan 0.000 0.445 303 F N -1.693 118.213 119.950 -0.073 0.000 2.069 303 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 303 F C 2.287 178.072 175.800 -0.025 0.000 1.113 303 F CA 2.157 60.087 58.000 -0.116 0.000 1.214 303 F CB -0.799 38.244 39.000 0.072 0.000 0.978 303 F HN 0.439 nan 8.300 nan 0.000 0.474 304 Y N 1.010 121.460 120.300 0.251 0.000 2.165 304 Y HA -0.301 4.249 4.550 -0.000 0.000 0.286 304 Y C 2.358 178.288 175.900 0.050 0.000 1.155 304 Y CA 1.934 60.170 58.100 0.227 0.000 1.164 304 Y CB -0.531 38.031 38.460 0.170 0.000 0.978 304 Y HN -0.120 nan 8.280 nan 0.000 0.513 305 K N 0.183 120.373 120.400 -0.351 0.000 2.097 305 K HA -0.023 4.297 4.320 -0.000 0.000 0.206 305 K C 2.343 178.722 176.600 -0.368 0.000 1.049 305 K CA 1.384 57.390 56.287 -0.469 0.000 0.933 305 K CB -1.003 31.216 32.500 -0.468 0.000 0.717 305 K HN 0.475 nan 8.250 nan 0.000 0.442 306 G N -0.780 107.810 108.800 -0.351 0.000 2.402 306 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 306 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 306 G C 1.244 175.989 174.900 -0.258 0.000 1.162 306 G CA 0.562 45.450 45.100 -0.353 0.000 0.777 306 G HN 0.227 nan 8.290 nan 0.000 0.539 307 F N 0.943 120.832 119.950 -0.101 0.000 2.163 307 F HA 0.138 4.665 4.527 -0.000 0.000 0.297 307 F C 2.522 178.241 175.800 -0.135 0.000 1.094 307 F CA 1.220 59.189 58.000 -0.051 0.000 1.290 307 F CB -0.295 38.709 39.000 0.007 0.000 1.017 307 F HN 0.050 nan 8.300 nan 0.000 0.483 308 K N 0.239 120.543 120.400 -0.160 0.000 2.097 308 K HA -0.221 4.099 4.320 -0.000 0.000 0.206 308 K C 2.212 178.694 176.600 -0.197 0.000 1.049 308 K CA 1.405 57.526 56.287 -0.277 0.000 0.933 308 K CB -0.284 31.819 32.500 -0.663 0.000 0.717 308 K HN 0.258 nan 8.250 nan 0.000 0.442 309 M N 0.268 119.725 119.600 -0.238 0.000 2.175 309 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 309 M C 2.089 178.212 176.300 -0.296 0.000 1.063 309 M CA 1.472 56.563 55.300 -0.349 0.000 1.119 309 M CB -0.022 32.294 32.600 -0.473 0.000 1.377 309 M HN 0.283 nan 8.290 nan 0.000 0.415 310 C N -0.043 119.254 119.300 -0.006 0.000 2.440 310 C HA -0.116 4.344 4.460 -0.000 0.000 0.278 310 C C 2.757 177.800 174.990 0.088 0.000 1.295 310 C CA 0.795 59.928 59.018 0.191 0.000 1.738 310 C CB -1.057 26.901 27.740 0.364 0.000 1.987 310 C HN 0.605 nan 8.230 nan 0.000 0.492 311 Q N 1.249 121.077 119.800 0.047 0.000 2.079 311 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 311 Q C 1.934 177.923 176.000 -0.019 0.000 0.974 311 Q CA 1.661 57.478 55.803 0.023 0.000 0.840 311 Q CB -0.267 28.482 28.738 0.018 0.000 0.898 311 Q HN 0.684 nan 8.270 nan 0.000 0.430 312 E N -0.046 120.111 120.200 -0.072 0.000 2.152 312 E HA -0.078 4.271 4.350 -0.000 0.000 0.192 312 E C 1.798 178.340 176.600 -0.097 0.000 0.983 312 E CA 0.585 56.931 56.400 -0.090 0.000 0.818 312 E CB 0.131 29.755 29.700 -0.127 0.000 0.758 312 E HN 0.334 nan 8.360 nan 0.000 0.467 313 L N -0.515 120.626 121.223 -0.137 0.000 2.607 313 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 313 L C 1.069 177.964 176.870 0.040 0.000 1.123 313 L CA 0.194 54.977 54.840 -0.095 0.000 0.890 313 L CB 0.378 42.257 42.059 -0.301 0.000 1.103 313 L HN 0.212 nan 8.230 nan 0.000 0.468 314 G N -0.217 108.599 108.800 0.027 0.000 2.149 314 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.235 314 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.235 314 G C 0.725 175.645 174.900 0.034 0.000 1.018 314 G CA 0.000 45.125 45.100 0.042 0.000 0.728 314 G HN 0.131 nan 8.290 nan 0.000 0.508 315 L N -0.704 120.538 121.223 0.031 0.000 2.068 315 L HA 0.210 4.550 4.340 -0.000 0.000 0.204 315 L C 1.818 178.673 176.870 -0.025 0.000 1.076 315 L CA 2.343 57.135 54.840 -0.081 0.000 0.753 315 L CB -1.382 40.615 42.059 -0.103 0.000 0.910 315 L HN 0.645 nan 8.230 nan 0.000 0.439 316 V N -3.157 116.801 119.914 0.073 0.000 3.126 316 V HA 0.427 4.547 4.120 -0.000 0.000 0.314 316 V C 0.475 176.603 176.094 0.057 0.000 1.138 316 V CA -0.630 61.729 62.300 0.098 0.000 1.034 316 V CB 1.828 33.753 31.823 0.170 0.000 1.075 316 V HN 0.247 nan 8.190 nan 0.000 0.442 317 D N -0.205 120.220 120.400 0.042 0.000 2.389 317 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 317 D C 0.612 176.918 176.300 0.010 0.000 1.055 317 D CA 0.070 54.082 54.000 0.020 0.000 0.856 317 D CB 0.556 41.363 40.800 0.012 0.000 0.957 317 D HN 0.822 nan 8.370 nan 0.000 0.509 318 R N 0.347 120.853 120.500 0.011 0.000 2.817 318 R HA 0.688 5.028 4.340 -0.000 0.000 0.268 318 R C -0.695 175.596 176.300 -0.015 0.000 1.027 318 R CA -1.046 55.046 56.100 -0.014 0.000 0.928 318 R CB 1.286 31.559 30.300 -0.043 0.000 1.228 318 R HN 0.043 nan 8.270 nan 0.000 0.469 319 I N -1.959 118.583 120.570 -0.047 0.000 2.740 319 I HA 0.637 4.807 4.170 -0.000 0.000 0.303 319 I C -2.673 173.318 176.117 -0.210 0.000 1.044 319 I CA -2.958 58.292 61.300 -0.082 0.000 1.064 319 I CB 2.139 40.150 38.000 0.017 0.000 1.249 319 I HN 0.401 nan 8.210 nan 0.000 0.433 320 P HA 0.365 nan 4.420 nan 0.000 0.276 320 P C -1.164 175.925 177.300 -0.352 0.000 1.252 320 P CA -0.522 62.305 63.100 -0.454 0.000 0.802 320 P CB 0.524 31.823 31.700 -0.669 0.000 1.035 321 R N 0.913 121.134 120.500 -0.465 0.000 2.357 321 R HA 0.501 4.841 4.340 -0.000 0.000 0.296 321 R C 0.010 176.233 176.300 -0.128 0.000 1.052 321 R CA -0.489 55.369 56.100 -0.402 0.000 0.988 321 R CB 0.460 30.220 30.300 -0.899 0.000 1.025 321 R HN 0.453 nan 8.270 nan 0.000 0.469 322 M N 1.824 121.453 119.600 0.049 0.000 2.537 322 M HA 0.352 4.832 4.480 -0.000 0.000 0.324 322 M C -1.140 175.282 176.300 0.204 0.000 1.187 322 M CA -0.576 54.808 55.300 0.140 0.000 0.993 322 M CB 2.195 34.879 32.600 0.140 0.000 1.666 322 M HN 0.232 nan 8.290 nan 0.000 0.461 323 V N 1.902 121.913 119.914 0.162 0.000 2.531 323 V HA 0.422 4.542 4.120 -0.000 0.000 0.301 323 V C -1.170 174.944 176.094 0.034 0.000 1.034 323 V CA -0.995 61.359 62.300 0.090 0.000 0.865 323 V CB 1.698 33.563 31.823 0.070 0.000 0.995 323 V HN 0.946 nan 8.190 nan 0.000 0.424 324 C N 5.283 124.593 119.300 0.017 0.000 2.295 324 C HA 0.860 5.320 4.460 -0.000 0.000 0.331 324 C C 0.630 175.627 174.990 0.010 0.000 1.280 324 C CA -0.282 58.749 59.018 0.022 0.000 1.746 324 C CB -0.185 27.590 27.740 0.059 0.000 2.328 324 C HN 1.054 nan 8.230 nan 0.000 0.521 325 A N 6.196 129.016 122.820 0.000 0.000 2.304 325 A HA 0.754 5.074 4.320 -0.000 0.000 0.323 325 A C -0.685 176.897 177.584 -0.003 0.000 1.195 325 A CA -0.319 51.710 52.037 -0.013 0.000 0.826 325 A CB 0.741 19.725 19.000 -0.027 0.000 1.184 325 A HN 0.926 nan 8.150 nan 0.000 0.496 326 Q N 0.357 120.146 119.800 -0.019 0.000 2.451 326 Q HA 0.659 4.999 4.340 -0.000 0.000 0.281 326 Q C -0.504 175.464 176.000 -0.052 0.000 1.099 326 Q CA -1.003 54.796 55.803 -0.007 0.000 0.806 326 Q CB 2.475 31.237 28.738 0.039 0.000 1.419 326 Q HN 0.914 nan 8.270 nan 0.000 0.427 327 A N 0.453 123.253 122.820 -0.033 0.000 2.354 327 A HA 0.530 4.850 4.320 -0.000 0.000 0.269 327 A C 0.870 178.421 177.584 -0.056 0.000 1.109 327 A CA 0.402 52.406 52.037 -0.055 0.000 0.800 327 A CB 0.564 19.539 19.000 -0.043 0.000 1.045 327 A HN 0.898 nan 8.150 nan 0.000 0.489 328 A N 2.030 124.803 122.820 -0.077 0.000 1.978 328 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 328 A C 1.542 179.112 177.584 -0.022 0.000 1.170 328 A CA 1.754 53.751 52.037 -0.067 0.000 0.636 328 A CB -0.539 18.417 19.000 -0.073 0.000 0.810 328 A HN 0.825 nan 8.150 nan 0.000 0.448 329 N N -0.008 118.677 118.700 -0.025 0.000 2.550 329 N HA 0.116 4.856 4.740 -0.000 0.000 0.186 329 N C 0.338 175.847 175.510 -0.001 0.000 1.110 329 N CA 1.053 54.093 53.050 -0.017 0.000 0.912 329 N CB -0.020 38.446 38.487 -0.035 0.000 0.968 329 N HN 0.467 nan 8.380 nan 0.000 0.448 330 A N 1.079 123.905 122.820 0.010 0.000 3.307 330 A HA 0.228 4.548 4.320 -0.000 0.000 0.289 330 A C -0.509 177.110 177.584 0.057 0.000 1.138 330 A CA -0.878 51.177 52.037 0.031 0.000 0.860 330 A CB -0.865 18.148 19.000 0.022 0.000 1.318 330 A HN 0.365 nan 8.150 nan 0.000 0.551 331 N N 0.644 119.395 118.700 0.085 0.000 2.914 331 N HA 0.329 5.069 4.740 -0.000 0.000 0.304 331 N C -1.949 173.674 175.510 0.189 0.000 1.727 331 N CA -1.578 51.559 53.050 0.145 0.000 0.986 331 N CB 1.364 39.950 38.487 0.164 0.000 1.297 331 N HN 0.184 nan 8.380 nan 0.000 0.490 332 P HA -0.088 nan 4.420 nan 0.000 0.219 332 P C 1.408 178.846 177.300 0.230 0.000 1.154 332 P CA 0.197 63.400 63.100 0.173 0.000 0.826 332 P CB 0.447 32.232 31.700 0.142 0.000 0.795 333 L N -1.203 120.162 121.223 0.236 0.000 2.093 333 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 333 L C 2.701 179.753 176.870 0.303 0.000 1.085 333 L CA 1.558 56.570 54.840 0.288 0.000 0.755 333 L CB -1.480 40.721 42.059 0.238 0.000 0.904 333 L HN -0.178 nan 8.230 nan 0.000 0.435 334 Y N -0.251 120.139 120.300 0.150 0.000 2.145 334 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 334 Y C 2.140 178.122 175.900 0.136 0.000 1.145 334 Y CA 1.992 60.172 58.100 0.133 0.000 1.148 334 Y CB -0.319 38.192 38.460 0.085 0.000 0.981 334 Y HN 0.157 nan 8.280 nan 0.000 0.507 335 L N -0.824 120.442 121.223 0.072 0.000 2.201 335 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 335 L C 2.344 179.225 176.870 0.018 0.000 1.105 335 L CA 1.554 56.379 54.840 -0.025 0.000 0.775 335 L CB -0.695 41.419 42.059 0.092 0.000 0.913 335 L HN 0.291 nan 8.230 nan 0.000 0.440 336 H N -0.794 118.291 119.070 0.026 0.000 2.395 336 H HA -0.216 4.340 4.556 -0.000 0.000 0.299 336 H C 2.052 177.324 175.328 -0.093 0.000 1.070 336 H CA 1.597 57.685 56.048 0.066 0.000 1.356 336 H CB -0.098 29.789 29.762 0.208 0.000 1.401 336 H HN 0.315 nan 8.280 nan 0.000 0.524 337 Y N 1.190 121.269 120.300 -0.368 0.000 2.200 337 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 337 Y C 2.377 177.865 175.900 -0.687 0.000 1.137 337 Y CA 1.765 59.392 58.100 -0.788 0.000 1.163 337 Y CB -0.156 37.979 38.460 -0.541 0.000 0.988 337 Y HN 0.056 nan 8.280 nan 0.000 0.518 338 K N -0.280 119.717 120.400 -0.672 0.000 2.283 338 K HA -0.080 4.240 4.320 -0.000 0.000 0.202 338 K C 1.883 178.195 176.600 -0.481 0.000 1.048 338 K CA 1.122 57.012 56.287 -0.662 0.000 0.948 338 K CB -0.061 32.098 32.500 -0.568 0.000 0.742 338 K HN 0.315 nan 8.250 nan 0.000 0.458 339 S N -0.521 114.950 115.700 -0.382 0.000 2.481 339 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 339 S C 0.963 175.405 174.600 -0.264 0.000 0.996 339 S CA 0.860 58.917 58.200 -0.239 0.000 0.942 339 S CB 0.341 63.477 63.200 -0.105 0.000 0.768 339 S HN 0.593 nan 8.310 nan 0.000 0.520 340 G N 0.289 108.827 108.800 -0.438 0.000 2.215 340 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.198 340 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.198 340 G C -0.005 174.803 174.900 -0.154 0.000 1.047 340 G CA -0.346 44.546 45.100 -0.347 0.000 0.747 340 G HN 0.333 nan 8.290 nan 0.000 0.495 341 W N -1.147 119.933 121.300 -0.367 0.000 4.551 341 W HA -0.189 4.471 4.660 -0.000 0.000 0.343 341 W C 0.717 177.062 176.519 -0.290 0.000 1.269 341 W CA 1.599 58.606 57.345 -0.564 0.000 0.799 341 W CB -1.435 27.865 29.460 -0.267 0.000 2.352 341 W HN 0.638 nan 8.180 nan 0.000 1.462 342 K N 0.927 121.350 120.400 0.038 0.000 2.270 342 K HA 0.332 4.652 4.320 -0.000 0.000 0.255 342 K C 0.035 176.831 176.600 0.327 0.000 0.936 342 K CA -0.220 56.202 56.287 0.224 0.000 0.809 342 K CB 1.148 33.723 32.500 0.124 0.000 1.131 342 K HN -0.102 nan 8.250 nan 0.000 0.427 343 D N 2.861 123.514 120.400 0.421 0.000 4.693 343 D HA -0.209 4.431 4.640 -0.000 0.000 0.242 343 D C -1.440 175.136 176.300 0.461 0.000 1.084 343 D CA 0.808 55.009 54.000 0.335 0.000 1.227 343 D CB -0.941 39.959 40.800 0.166 0.000 0.779 343 D HN 0.422 nan 8.370 nan 0.000 0.380 344 F N 1.029 120.994 119.950 0.026 0.000 2.469 344 F HA 0.792 5.319 4.527 -0.000 0.000 0.332 344 F C -0.199 175.562 175.800 -0.064 0.000 1.103 344 F CA -1.003 56.899 58.000 -0.164 0.000 0.979 344 F CB 1.623 40.200 39.000 -0.704 0.000 1.137 344 F HN -0.088 nan 8.300 nan 0.000 0.463 345 K N 3.751 124.121 120.400 -0.051 0.000 2.443 345 K HA 0.348 4.668 4.320 -0.000 0.000 0.252 345 K C -2.871 173.712 176.600 -0.028 0.000 0.933 345 K CA -1.796 54.425 56.287 -0.109 0.000 0.792 345 K CB 2.181 34.651 32.500 -0.049 0.000 1.185 345 K HN 0.388 nan 8.250 nan 0.000 0.425 346 P HA 0.029 nan 4.420 nan 0.000 0.262 346 P C 0.179 177.486 177.300 0.012 0.000 1.455 346 P CA -0.125 62.977 63.100 0.002 0.000 1.217 346 P CB 0.066 31.758 31.700 -0.014 0.000 1.625 347 M N 2.545 122.165 119.600 0.033 0.000 2.226 347 M HA 0.132 4.612 4.480 -0.000 0.000 0.324 347 M C -0.638 175.680 176.300 0.031 0.000 1.112 347 M CA 0.769 56.090 55.300 0.033 0.000 1.176 347 M CB 0.401 33.031 32.600 0.051 0.000 1.430 347 M HN 0.031 nan 8.290 nan 0.000 0.462 348 T N 3.894 118.463 114.554 0.024 0.000 2.729 348 T HA 0.572 4.922 4.350 -0.000 0.000 0.296 348 T C 0.003 174.714 174.700 0.019 0.000 0.928 348 T CA -0.451 61.662 62.100 0.021 0.000 1.045 348 T CB 0.308 69.184 68.868 0.015 0.000 0.902 348 T HN 0.700 nan 8.240 nan 0.000 0.500 349 A N 3.353 126.184 122.820 0.018 0.000 2.354 349 A HA 0.643 4.963 4.320 -0.000 0.000 0.269 349 A C 0.608 178.187 177.584 -0.007 0.000 1.109 349 A CA -0.512 51.529 52.037 0.007 0.000 0.800 349 A CB 0.584 19.588 19.000 0.006 0.000 1.045 349 A HN 0.684 nan 8.150 nan 0.000 0.489 350 S N 0.167 115.855 115.700 -0.019 0.000 2.664 350 S HA 0.583 5.053 4.470 -0.000 0.000 0.304 350 S C 0.209 174.773 174.600 -0.059 0.000 1.099 350 S CA -0.436 57.743 58.200 -0.034 0.000 1.003 350 S CB 0.829 64.010 63.200 -0.032 0.000 1.092 350 S HN 0.806 nan 8.310 nan 0.000 0.525 351 T N 3.657 118.163 114.554 -0.081 0.000 2.849 351 T HA 0.237 4.587 4.350 -0.000 0.000 0.289 351 T C -0.244 174.358 174.700 -0.163 0.000 1.010 351 T CA 0.510 62.534 62.100 -0.127 0.000 1.161 351 T CB -0.163 68.614 68.868 -0.151 0.000 0.989 351 T HN 0.639 nan 8.240 nan 0.000 0.523 352 T N 2.524 116.972 114.554 -0.178 0.000 2.906 352 T HA 0.406 4.756 4.350 -0.000 0.000 0.295 352 T C 0.699 175.262 174.700 -0.229 0.000 1.061 352 T CA -0.792 61.202 62.100 -0.178 0.000 1.000 352 T CB 1.409 70.219 68.868 -0.097 0.000 1.103 352 T HN 0.428 nan 8.240 nan 0.000 0.486 353 F N 1.005 120.877 119.950 -0.129 0.000 2.293 353 F HA 0.135 4.662 4.527 -0.000 0.000 0.300 353 F C 2.105 177.714 175.800 -0.320 0.000 1.086 353 F CA 0.417 58.316 58.000 -0.169 0.000 1.375 353 F CB 0.102 39.002 39.000 -0.167 0.000 1.045 353 F HN 0.615 nan 8.300 nan 0.000 0.516 354 A N 0.242 122.930 122.820 -0.219 0.000 3.091 354 A HA 0.223 4.543 4.320 -0.000 0.000 0.264 354 A C 1.541 179.040 177.584 -0.142 0.000 1.673 354 A CA 0.317 52.025 52.037 -0.547 0.000 1.362 354 A CB -0.851 17.874 19.000 -0.459 0.000 1.137 354 A HN 0.328 nan 8.150 nan 0.000 0.617 355 S N 0.943 116.618 115.700 -0.041 0.000 2.383 355 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 355 S C 1.884 176.552 174.600 0.113 0.000 1.030 355 S CA 1.249 59.483 58.200 0.056 0.000 1.002 355 S CB -0.389 62.864 63.200 0.088 0.000 0.829 355 S HN 1.061 nan 8.310 nan 0.000 0.467 356 A N 0.792 123.778 122.820 0.277 0.000 2.121 356 A HA 0.305 4.625 4.320 -0.000 0.000 0.218 356 A C 2.054 179.672 177.584 0.056 0.000 1.154 356 A CA 0.861 52.951 52.037 0.088 0.000 0.679 356 A CB -0.576 18.383 19.000 -0.069 0.000 0.795 356 A HN 0.611 nan 8.150 nan 0.000 0.458 357 I N -0.206 120.455 120.570 0.152 0.000 3.783 357 I HA -0.032 4.137 4.170 -0.000 0.000 0.310 357 I C 0.777 176.927 176.117 0.054 0.000 1.274 357 I CA 0.091 61.458 61.300 0.112 0.000 1.294 357 I CB -0.013 38.094 38.000 0.178 0.000 1.051 357 I HN 0.549 nan 8.210 nan 0.000 0.435 358 Q N 2.559 122.373 119.800 0.024 0.000 2.641 358 Q HA 0.207 4.547 4.340 -0.000 0.000 0.225 358 Q C -0.915 175.077 176.000 -0.013 0.000 1.309 358 Q CA 0.132 55.931 55.803 -0.006 0.000 0.935 358 Q CB 0.129 28.846 28.738 -0.035 0.000 1.557 358 Q HN 0.184 nan 8.270 nan 0.000 0.563 359 I N 2.750 123.331 120.570 0.017 0.000 2.410 359 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 359 I C 1.055 177.200 176.117 0.047 0.000 1.009 359 I CA -0.550 60.769 61.300 0.032 0.000 1.111 359 I CB 1.136 39.166 38.000 0.050 0.000 1.262 359 I HN 0.746 nan 8.210 nan 0.000 0.443 360 G N 4.706 113.535 108.800 0.048 0.000 2.424 360 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.214 360 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.214 360 G C 0.337 175.273 174.900 0.061 0.000 1.202 360 G CA 0.470 45.601 45.100 0.051 0.000 0.793 360 G HN 0.563 nan 8.290 nan 0.000 0.534 361 D N 1.191 121.629 120.400 0.064 0.000 2.477 361 D HA 0.358 4.998 4.640 -0.000 0.000 0.239 361 D C -2.405 173.939 176.300 0.073 0.000 1.102 361 D CA -2.199 51.841 54.000 0.066 0.000 0.901 361 D CB 1.351 42.182 40.800 0.052 0.000 1.026 361 D HN 0.069 nan 8.370 nan 0.000 0.515 362 P HA 0.092 nan 4.420 nan 0.000 0.282 362 P C 0.071 177.403 177.300 0.054 0.000 1.274 362 P CA -0.438 62.705 63.100 0.071 0.000 0.770 362 P CB 1.056 32.802 31.700 0.078 0.000 0.867 363 V N 2.821 122.759 119.914 0.041 0.000 3.139 363 V HA -0.035 4.085 4.120 -0.000 0.000 0.307 363 V C 1.352 177.434 176.094 -0.021 0.000 1.095 363 V CA 0.639 62.945 62.300 0.009 0.000 1.160 363 V CB -0.368 31.462 31.823 0.012 0.000 1.003 363 V HN 0.839 nan 8.190 nan 0.000 0.489 364 S N 0.330 115.975 115.700 -0.093 0.000 3.261 364 S HA -0.238 4.232 4.470 -0.000 0.000 0.287 364 S C 0.935 175.426 174.600 -0.182 0.000 1.281 364 S CA 0.911 59.000 58.200 -0.185 0.000 1.053 364 S CB -1.625 61.516 63.200 -0.098 0.000 1.251 364 S HN 0.924 nan 8.310 nan 0.000 0.659 365 I N 2.704 123.207 120.570 -0.112 0.000 2.118 365 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 365 I C 1.866 177.878 176.117 -0.175 0.000 1.070 365 I CA 2.302 63.550 61.300 -0.088 0.000 1.327 365 I CB -0.199 37.786 38.000 -0.025 0.000 1.034 365 I HN 0.251 nan 8.210 nan 0.000 0.405 366 D N 0.303 120.555 120.400 -0.247 0.000 2.178 366 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 366 D C 2.345 178.467 176.300 -0.296 0.000 0.980 366 D CA 1.051 54.920 54.000 -0.218 0.000 0.842 366 D CB -0.243 40.496 40.800 -0.101 0.000 0.948 366 D HN 0.454 nan 8.370 nan 0.000 0.472 367 R N 0.780 120.831 120.500 -0.748 0.000 2.070 367 R HA -0.056 4.284 4.340 -0.000 0.000 0.233 367 R C 2.389 178.521 176.300 -0.281 0.000 1.137 367 R CA 1.337 56.839 56.100 -0.996 0.000 0.945 367 R CB -0.293 29.194 30.300 -1.355 0.000 0.845 367 R HN 0.087 nan 8.270 nan 0.000 0.430 368 A N 0.677 123.429 122.820 -0.113 0.000 1.877 368 A HA -0.124 4.195 4.320 -0.000 0.000 0.216 368 A C 2.385 180.024 177.584 0.092 0.000 1.186 368 A CA 1.516 53.608 52.037 0.092 0.000 0.620 368 A CB -0.651 18.410 19.000 0.100 0.000 0.822 368 A HN 0.124 nan 8.150 nan 0.000 0.443 369 V N -1.281 118.661 119.914 0.047 0.000 2.287 369 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 369 V C 2.373 178.358 176.094 -0.181 0.000 1.053 369 V CA 2.238 64.514 62.300 -0.040 0.000 1.027 369 V CB -1.124 30.683 31.823 -0.025 0.000 0.646 369 V HN 0.717 nan 8.190 nan 0.000 0.447 370 Y N 1.403 121.630 120.300 -0.121 0.000 2.128 370 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 370 Y C 2.382 178.175 175.900 -0.178 0.000 1.154 370 Y CA 1.876 59.926 58.100 -0.084 0.000 1.149 370 Y CB -0.528 38.039 38.460 0.179 0.000 0.976 370 Y HN 0.150 nan 8.280 nan 0.000 0.505 371 A N 0.133 122.943 122.820 -0.018 0.000 1.898 371 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 371 A C 2.229 179.507 177.584 -0.511 0.000 1.181 371 A CA 1.802 53.592 52.037 -0.411 0.000 0.620 371 A CB -1.118 17.973 19.000 0.150 0.000 0.819 371 A HN 0.554 nan 8.150 nan 0.000 0.442 372 L N -0.895 120.195 121.223 -0.223 0.000 2.201 372 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 372 L C 2.476 179.196 176.870 -0.249 0.000 1.105 372 L CA 1.233 56.014 54.840 -0.099 0.000 0.775 372 L CB -0.243 41.924 42.059 0.180 0.000 0.913 372 L HN 0.334 nan 8.230 nan 0.000 0.440 373 K N -0.390 119.656 120.400 -0.590 0.000 2.103 373 K HA -0.084 4.235 4.320 -0.000 0.000 0.204 373 K C 2.085 178.441 176.600 -0.407 0.000 1.052 373 K CA 0.756 56.646 56.287 -0.662 0.000 0.945 373 K CB 0.088 32.118 32.500 -0.782 0.000 0.722 373 K HN 0.098 nan 8.250 nan 0.000 0.443 374 K N 0.426 120.520 120.400 -0.510 0.000 2.167 374 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 374 K C 2.136 178.610 176.600 -0.210 0.000 1.052 374 K CA 1.126 57.172 56.287 -0.402 0.000 0.956 374 K CB 0.008 32.173 32.500 -0.557 0.000 0.735 374 K HN 0.339 nan 8.250 nan 0.000 0.451 375 C N 0.694 119.853 119.300 -0.235 0.000 2.754 375 C HA 0.294 4.754 4.460 -0.000 0.000 0.276 375 C C 0.555 175.512 174.990 -0.055 0.000 1.264 375 C CA -0.736 58.247 59.018 -0.058 0.000 1.700 375 C CB -1.318 26.444 27.740 0.036 0.000 1.885 375 C HN 0.491 nan 8.230 nan 0.000 0.607 376 N N 1.090 119.765 118.700 -0.041 0.000 2.708 376 N HA -0.114 4.626 4.740 -0.000 0.000 0.255 376 N C 0.229 175.817 175.510 0.130 0.000 1.046 376 N CA 1.070 54.152 53.050 0.054 0.000 0.715 376 N CB -1.097 37.404 38.487 0.023 0.000 0.895 376 N HN 0.909 nan 8.380 nan 0.000 0.545 377 G N 0.250 109.164 108.800 0.190 0.000 2.511 377 G HA2 0.756 4.716 3.960 -0.000 0.000 0.316 377 G HA3 0.756 4.716 3.960 -0.000 0.000 0.316 377 G C 0.054 175.071 174.900 0.195 0.000 1.210 377 G CA -0.552 44.670 45.100 0.202 0.000 0.969 377 G HN 0.302 nan 8.290 nan 0.000 0.492 378 I N -0.908 119.670 120.570 0.014 0.000 2.730 378 I HA 0.411 4.581 4.170 -0.000 0.000 0.298 378 I C -0.777 175.049 176.117 -0.485 0.000 1.089 378 I CA -0.894 60.180 61.300 -0.376 0.000 1.041 378 I CB 2.793 40.760 38.000 -0.056 0.000 1.235 378 I HN 0.156 nan 8.210 nan 0.000 0.423 379 V N 3.567 122.923 119.914 -0.930 0.000 2.540 379 V HA 0.606 4.726 4.120 -0.000 0.000 0.302 379 V C -0.691 175.427 176.094 0.040 0.000 1.035 379 V CA -0.583 61.528 62.300 -0.316 0.000 0.873 379 V CB 1.842 33.561 31.823 -0.173 0.000 0.992 379 V HN 0.688 nan 8.190 nan 0.000 0.428 380 E N 2.427 122.685 120.200 0.096 0.000 2.367 380 E HA 0.545 4.895 4.350 -0.000 0.000 0.273 380 E C -0.895 175.600 176.600 -0.175 0.000 0.903 380 E CA -0.651 55.793 56.400 0.073 0.000 0.764 380 E CB 2.183 31.891 29.700 0.013 0.000 1.252 380 E HN 0.841 nan 8.360 nan 0.000 0.446 381 E N 1.701 121.561 120.200 -0.567 0.000 2.222 381 E HA 0.786 5.136 4.350 -0.000 0.000 0.267 381 E C -1.478 174.939 176.600 -0.304 0.000 0.963 381 E CA -1.068 54.984 56.400 -0.581 0.000 0.837 381 E CB 1.500 30.527 29.700 -1.121 0.000 1.183 381 E HN 0.439 nan 8.360 nan 0.000 0.403 382 A N 2.271 124.965 122.820 -0.210 0.000 2.427 382 A HA 0.494 4.814 4.320 -0.000 0.000 0.298 382 A C -0.520 176.995 177.584 -0.115 0.000 1.036 382 A CA -0.742 51.210 52.037 -0.143 0.000 0.701 382 A CB 1.662 20.593 19.000 -0.115 0.000 1.250 382 A HN 0.636 nan 8.150 nan 0.000 0.412 383 T N 0.614 115.110 114.554 -0.097 0.000 2.824 383 T HA 0.248 4.598 4.350 -0.000 0.000 0.277 383 T C 1.155 175.825 174.700 -0.049 0.000 0.975 383 T CA -0.422 61.638 62.100 -0.066 0.000 0.966 383 T CB 0.929 69.765 68.868 -0.053 0.000 1.054 383 T HN 0.677 nan 8.240 nan 0.000 0.533 384 E N 0.300 120.490 120.200 -0.015 0.000 2.110 384 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 384 E C 2.047 178.663 176.600 0.027 0.000 0.988 384 E CA 0.981 57.403 56.400 0.036 0.000 0.804 384 E CB 0.057 29.812 29.700 0.092 0.000 0.745 384 E HN 0.723 nan 8.360 nan 0.000 0.458 385 E N 0.851 121.055 120.200 0.006 0.000 2.072 385 E HA -0.180 4.169 4.350 -0.000 0.000 0.190 385 E C 1.748 178.320 176.600 -0.046 0.000 0.982 385 E CA 0.786 57.185 56.400 -0.002 0.000 0.803 385 E CB 0.183 29.876 29.700 -0.012 0.000 0.755 385 E HN 0.253 nan 8.360 nan 0.000 0.453 386 E N 0.343 120.499 120.200 -0.073 0.000 2.077 386 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 386 E C 2.309 178.814 176.600 -0.158 0.000 0.989 386 E CA 1.362 57.690 56.400 -0.120 0.000 0.800 386 E CB -0.185 29.447 29.700 -0.113 0.000 0.746 386 E HN 0.335 nan 8.360 nan 0.000 0.452 387 L N -1.681 119.458 121.223 -0.140 0.000 2.179 387 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 387 L C 2.181 178.907 176.870 -0.240 0.000 1.096 387 L CA 1.302 56.037 54.840 -0.175 0.000 0.779 387 L CB -0.308 41.660 42.059 -0.152 0.000 0.922 387 L HN -0.025 nan 8.230 nan 0.000 0.443 388 M N 0.083 119.539 119.600 -0.240 0.000 2.236 388 M HA -0.067 4.413 4.480 -0.000 0.000 0.266 388 M C 1.629 177.637 176.300 -0.487 0.000 1.070 388 M CA 1.182 56.234 55.300 -0.414 0.000 1.137 388 M CB -0.845 31.550 32.600 -0.342 0.000 1.378 388 M HN 0.336 nan 8.290 nan 0.000 0.426 389 D N 0.858 121.135 120.400 -0.207 0.000 2.097 389 D HA -0.026 4.614 4.640 -0.000 0.000 0.197 389 D C 1.987 178.186 176.300 -0.169 0.000 0.984 389 D CA 1.543 55.531 54.000 -0.020 0.000 0.826 389 D CB -0.135 40.727 40.800 0.104 0.000 0.973 389 D HN 0.273 nan 8.370 nan 0.000 0.460 390 A N 0.641 123.294 122.820 -0.278 0.000 2.015 390 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 390 A C 2.120 179.549 177.584 -0.258 0.000 1.163 390 A CA 1.157 53.018 52.037 -0.294 0.000 0.646 390 A CB -0.557 18.280 19.000 -0.271 0.000 0.806 390 A HN 0.216 nan 8.150 nan 0.000 0.448 391 M N -0.497 118.915 119.600 -0.314 0.000 2.132 391 M HA -0.089 4.390 4.480 -0.000 0.000 0.263 391 M C 2.286 178.386 176.300 -0.333 0.000 1.065 391 M CA 1.583 56.672 55.300 -0.351 0.000 1.122 391 M CB -0.244 32.115 32.600 -0.402 0.000 1.365 391 M HN 0.421 nan 8.290 nan 0.000 0.411 392 A N 0.124 122.733 122.820 -0.352 0.000 1.902 392 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 392 A C 1.881 179.361 177.584 -0.174 0.000 1.181 392 A CA 1.746 53.658 52.037 -0.207 0.000 0.623 392 A CB -0.798 18.125 19.000 -0.128 0.000 0.818 392 A HN 0.698 nan 8.150 nan 0.000 0.443 393 Q N -0.680 118.918 119.800 -0.337 0.000 2.124 393 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 393 Q C 2.373 178.270 176.000 -0.172 0.000 0.977 393 Q CA 1.330 56.852 55.803 -0.468 0.000 0.850 393 Q CB -0.362 27.895 28.738 -0.802 0.000 0.901 393 Q HN 0.702 nan 8.270 nan 0.000 0.429 394 A N 1.306 123.948 122.820 -0.296 0.000 1.872 394 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 394 A C 1.570 179.006 177.584 -0.247 0.000 1.187 394 A CA 1.591 53.304 52.037 -0.540 0.000 0.614 394 A CB -0.344 18.229 19.000 -0.712 0.000 0.826 394 A HN 0.217 nan 8.150 nan 0.000 0.442 395 D N 0.283 120.583 120.400 -0.166 0.000 2.178 395 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 395 D C 2.120 178.435 176.300 0.025 0.000 0.980 395 D CA 1.478 55.452 54.000 -0.044 0.000 0.842 395 D CB -0.370 40.440 40.800 0.017 0.000 0.948 395 D HN 0.390 nan 8.370 nan 0.000 0.472 396 S N -0.333 115.394 115.700 0.045 0.000 2.442 396 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 396 S C 1.872 176.552 174.600 0.134 0.000 1.007 396 S CA 0.895 59.161 58.200 0.110 0.000 0.965 396 S CB -0.139 63.148 63.200 0.145 0.000 0.773 396 S HN 0.261 nan 8.310 nan 0.000 0.504 397 T N 0.536 115.169 114.554 0.132 0.000 3.113 397 T HA 0.331 4.681 4.350 -0.000 0.000 0.256 397 T C 1.213 175.975 174.700 0.103 0.000 1.131 397 T CA 0.780 62.974 62.100 0.157 0.000 1.074 397 T CB 0.135 69.149 68.868 0.244 0.000 0.944 397 T HN 0.591 nan 8.240 nan 0.000 0.516 398 G N 1.425 110.248 108.800 0.038 0.000 2.181 398 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.152 398 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.152 398 G C -0.161 174.678 174.900 -0.101 0.000 1.026 398 G CA -0.555 44.554 45.100 0.014 0.000 0.699 398 G HN 0.377 nan 8.290 nan 0.000 0.497 399 M N -0.826 118.700 119.600 -0.123 0.000 2.777 399 M HA 0.810 5.290 4.480 -0.000 0.000 0.307 399 M C -0.820 175.505 176.300 0.041 0.000 1.228 399 M CA -1.032 54.179 55.300 -0.149 0.000 0.871 399 M CB 1.892 34.315 32.600 -0.295 0.000 1.721 399 M HN 0.087 nan 8.290 nan 0.000 0.487 400 F N 2.749 122.565 119.950 -0.223 0.000 2.931 400 F HA 0.468 4.995 4.527 -0.000 0.000 0.375 400 F C -1.149 174.478 175.800 -0.288 0.000 1.243 400 F CA -1.105 56.784 58.000 -0.186 0.000 1.206 400 F CB 0.467 39.430 39.000 -0.063 0.000 1.643 400 F HN 0.365 nan 8.300 nan 0.000 0.593 401 I N 1.039 121.368 120.570 -0.403 0.000 2.863 401 I HA 0.708 4.878 4.170 -0.000 0.000 0.311 401 I C 0.206 176.133 176.117 -0.315 0.000 1.026 401 I CA -1.165 59.910 61.300 -0.374 0.000 1.077 401 I CB 0.731 38.498 38.000 -0.389 0.000 1.262 401 I HN 0.402 nan 8.210 nan 0.000 0.461 402 C N 1.114 120.308 119.300 -0.177 0.000 2.500 402 C HA 0.553 5.013 4.460 -0.000 0.000 0.367 402 C C -1.218 173.587 174.990 -0.310 0.000 1.283 402 C CA -0.823 58.109 59.018 -0.143 0.000 2.456 402 C CB 0.448 28.240 27.740 0.087 0.000 2.457 402 C HN 0.767 nan 8.230 nan 0.000 0.632 403 P HA -0.145 nan 4.420 nan 0.000 0.218 403 P C 1.387 178.400 177.300 -0.478 0.000 1.148 403 P CA 1.760 64.545 63.100 -0.526 0.000 0.822 403 P CB -0.321 31.003 31.700 -0.627 0.000 0.784 404 H N -1.389 117.514 119.070 -0.280 0.000 2.387 404 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 404 H C 1.607 176.843 175.328 -0.154 0.000 1.090 404 H CA 1.681 57.617 56.048 -0.186 0.000 1.332 404 H CB -1.381 28.291 29.762 -0.150 0.000 1.386 404 H HN 0.151 nan 8.280 nan 0.000 0.516 405 T N 0.330 114.845 114.554 -0.065 0.000 2.821 405 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 405 T C 2.427 177.040 174.700 -0.146 0.000 1.046 405 T CA 0.959 62.991 62.100 -0.113 0.000 1.139 405 T CB -0.610 68.158 68.868 -0.167 0.000 0.871 405 T HN 0.550 nan 8.240 nan 0.000 0.454 406 G N 1.576 110.258 108.800 -0.196 0.000 2.476 406 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 406 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 406 G C 1.693 176.509 174.900 -0.139 0.000 1.164 406 G CA 1.050 46.030 45.100 -0.199 0.000 0.768 406 G HN 0.430 nan 8.290 nan 0.000 0.560 407 V N 1.639 121.475 119.914 -0.129 0.000 2.324 407 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 407 V C 3.332 179.393 176.094 -0.056 0.000 1.060 407 V CA 2.274 64.519 62.300 -0.092 0.000 1.042 407 V CB -1.013 30.765 31.823 -0.075 0.000 0.650 407 V HN 0.519 nan 8.190 nan 0.000 0.450 408 A N -0.306 122.486 122.820 -0.047 0.000 1.873 408 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 408 A C 2.179 179.775 177.584 0.020 0.000 1.186 408 A CA 1.777 53.799 52.037 -0.024 0.000 0.616 408 A CB -0.529 18.448 19.000 -0.038 0.000 0.823 408 A HN 0.517 nan 8.150 nan 0.000 0.442 409 L N -0.556 120.687 121.223 0.033 0.000 2.141 409 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 409 L C 2.649 179.693 176.870 0.290 0.000 1.094 409 L CA 1.548 56.490 54.840 0.170 0.000 0.763 409 L CB -0.803 41.342 42.059 0.143 0.000 0.908 409 L HN 0.322 nan 8.230 nan 0.000 0.437 410 T N -0.089 114.527 114.554 0.103 0.000 2.821 410 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 410 T C 2.069 176.825 174.700 0.092 0.000 1.046 410 T CA 1.271 63.401 62.100 0.050 0.000 1.139 410 T CB -0.204 68.620 68.868 -0.073 0.000 0.871 410 T HN 0.445 nan 8.240 nan 0.000 0.454 411 A N 1.239 124.085 122.820 0.043 0.000 1.930 411 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 411 A C 2.221 179.817 177.584 0.020 0.000 1.175 411 A CA 1.094 53.138 52.037 0.012 0.000 0.627 411 A CB -0.700 18.290 19.000 -0.017 0.000 0.815 411 A HN 0.404 nan 8.150 nan 0.000 0.443 412 L N -1.610 119.645 121.223 0.053 0.000 2.056 412 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 412 L C 2.139 179.010 176.870 0.002 0.000 1.078 412 L CA 1.724 56.567 54.840 0.004 0.000 0.749 412 L CB -0.802 41.282 42.059 0.041 0.000 0.901 412 L HN 0.354 nan 8.230 nan 0.000 0.433 413 F N 0.391 120.327 119.950 -0.023 0.000 2.091 413 F HA -0.280 4.247 4.527 -0.000 0.000 0.299 413 F C 2.444 178.221 175.800 -0.039 0.000 1.103 413 F CA 2.067 60.051 58.000 -0.027 0.000 1.228 413 F CB -0.247 38.745 39.000 -0.013 0.000 0.984 413 F HN 0.058 nan 8.300 nan 0.000 0.477 414 K N -0.193 120.297 120.400 0.150 0.000 2.103 414 K HA -0.066 4.253 4.320 -0.000 0.000 0.204 414 K C 1.949 178.550 176.600 0.003 0.000 1.052 414 K CA 0.993 57.320 56.287 0.067 0.000 0.945 414 K CB -0.264 32.262 32.500 0.043 0.000 0.722 414 K HN 0.293 nan 8.250 nan 0.000 0.443 415 L N 0.631 121.825 121.223 -0.049 0.000 2.313 415 L HA -0.068 4.272 4.340 -0.000 0.000 0.214 415 L C 2.361 179.146 176.870 -0.143 0.000 1.119 415 L CA 0.505 55.271 54.840 -0.124 0.000 0.809 415 L CB -0.176 41.742 42.059 -0.234 0.000 0.933 415 L HN 0.099 nan 8.230 nan 0.000 0.449 416 R N 0.216 120.640 120.500 -0.126 0.000 2.075 416 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 416 R C 1.865 178.124 176.300 -0.068 0.000 1.126 416 R CA 1.182 57.211 56.100 -0.118 0.000 0.963 416 R CB -0.833 29.375 30.300 -0.152 0.000 0.858 416 R HN 0.357 nan 8.270 nan 0.000 0.435 417 N N 1.179 119.859 118.700 -0.033 0.000 2.205 417 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 417 N C 1.437 176.943 175.510 -0.008 0.000 1.015 417 N CA 1.170 54.218 53.050 -0.004 0.000 0.862 417 N CB -0.041 38.464 38.487 0.030 0.000 0.986 417 N HN 0.314 nan 8.380 nan 0.000 0.429 418 Q N -1.341 118.448 119.800 -0.017 0.000 2.403 418 Q HA 0.251 4.591 4.340 -0.000 0.000 0.203 418 Q C 0.989 176.977 176.000 -0.020 0.000 0.932 418 Q CA 0.432 56.228 55.803 -0.012 0.000 0.945 418 Q CB 0.567 29.301 28.738 -0.006 0.000 1.045 418 Q HN 0.387 nan 8.270 nan 0.000 0.511 419 G N -0.076 108.702 108.800 -0.037 0.000 2.184 419 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.264 419 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.264 419 G C 0.891 175.766 174.900 -0.042 0.000 0.975 419 G CA 0.459 45.539 45.100 -0.033 0.000 0.642 419 G HN 0.279 nan 8.290 nan 0.000 0.536 420 V N 0.275 120.142 119.914 -0.079 0.000 2.343 420 V HA 0.078 4.198 4.120 -0.000 0.000 0.247 420 V C 1.716 177.679 176.094 -0.218 0.000 1.051 420 V CA 1.902 64.137 62.300 -0.107 0.000 1.036 420 V CB -0.175 31.556 31.823 -0.153 0.000 0.654 420 V HN 0.493 nan 8.190 nan 0.000 0.451 421 I N 0.646 121.008 120.570 -0.347 0.000 2.315 421 I HA 0.473 4.642 4.170 -0.000 0.000 0.291 421 I C 0.412 176.447 176.117 -0.136 0.000 1.006 421 I CA -0.319 60.741 61.300 -0.400 0.000 1.265 421 I CB 1.223 38.862 38.000 -0.602 0.000 1.387 421 I HN 0.139 nan 8.210 nan 0.000 0.475 422 A N 9.278 132.094 122.820 -0.007 0.000 2.371 422 A HA 0.397 4.717 4.320 -0.000 0.000 0.257 422 A C -1.421 176.171 177.584 0.014 0.000 1.089 422 A CA -1.178 50.874 52.037 0.024 0.000 0.794 422 A CB -0.131 18.915 19.000 0.076 0.000 1.029 422 A HN 0.603 nan 8.150 nan 0.000 0.488 423 P HA -0.115 nan 4.420 nan 0.000 0.222 423 P C 1.074 178.396 177.300 0.036 0.000 1.147 423 P CA 1.737 64.837 63.100 0.000 0.000 0.790 423 P CB 0.166 31.859 31.700 -0.011 0.000 0.780 424 T N -1.681 112.905 114.554 0.053 0.000 3.060 424 T HA 0.062 4.412 4.350 -0.000 0.000 0.249 424 T C 0.336 175.093 174.700 0.095 0.000 1.079 424 T CA -0.184 61.958 62.100 0.069 0.000 1.013 424 T CB -0.557 68.342 68.868 0.053 0.000 0.975 424 T HN -0.106 nan 8.240 nan 0.000 0.518 425 D N 2.359 122.831 120.400 0.120 0.000 2.389 425 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 425 D C 0.287 176.699 176.300 0.186 0.000 1.128 425 D CA -0.026 54.077 54.000 0.172 0.000 0.884 425 D CB 0.622 41.602 40.800 0.300 0.000 1.194 425 D HN 0.246 nan 8.370 nan 0.000 0.441 426 R N 1.697 122.273 120.500 0.127 0.000 2.345 426 R HA 0.135 4.475 4.340 -0.000 0.000 0.331 426 R C -0.731 175.674 176.300 0.175 0.000 1.067 426 R CA 0.258 56.418 56.100 0.099 0.000 0.962 426 R CB -0.093 30.112 30.300 -0.158 0.000 0.987 426 R HN 0.234 nan 8.270 nan 0.000 0.451 427 T N 3.750 118.494 114.554 0.316 0.000 2.824 427 T HA 0.347 4.697 4.350 -0.000 0.000 0.282 427 T C -0.916 174.024 174.700 0.399 0.000 0.993 427 T CA -0.553 61.746 62.100 0.332 0.000 0.967 427 T CB 1.840 70.869 68.868 0.268 0.000 0.960 427 T HN 0.230 nan 8.240 nan 0.000 0.441 428 V N 3.754 123.866 119.914 0.330 0.000 2.409 428 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 428 V C -0.219 176.006 176.094 0.219 0.000 1.020 428 V CA -0.776 61.730 62.300 0.342 0.000 0.848 428 V CB 1.814 33.841 31.823 0.340 0.000 0.990 428 V HN 0.689 nan 8.190 nan 0.000 0.430 429 V N 5.673 125.711 119.914 0.206 0.000 2.394 429 V HA 0.356 4.476 4.120 -0.000 0.000 0.282 429 V C 0.006 176.136 176.094 0.060 0.000 1.031 429 V CA -0.563 61.796 62.300 0.099 0.000 0.881 429 V CB 2.017 33.892 31.823 0.087 0.000 0.982 429 V HN 0.632 nan 8.190 nan 0.000 0.451 430 V N 4.544 124.434 119.914 -0.040 0.000 2.372 430 V HA 0.208 4.328 4.120 -0.000 0.000 0.261 430 V C 0.678 176.732 176.094 -0.067 0.000 1.055 430 V CA 0.054 62.314 62.300 -0.067 0.000 0.930 430 V CB 1.302 32.972 31.823 -0.255 0.000 1.031 430 V HN 0.875 nan 8.190 nan 0.000 0.479 431 S N 3.683 119.360 115.700 -0.039 0.000 2.439 431 S HA 0.159 4.629 4.470 -0.000 0.000 0.282 431 S C 1.456 176.055 174.600 -0.001 0.000 1.170 431 S CA -0.050 58.103 58.200 -0.080 0.000 1.054 431 S CB 0.798 63.865 63.200 -0.222 0.000 0.956 431 S HN 0.972 nan 8.310 nan 0.000 0.490 432 T N 2.745 117.321 114.554 0.037 0.000 3.014 432 T HA 0.423 4.773 4.350 -0.000 0.000 0.263 432 T C 0.582 175.474 174.700 0.320 0.000 1.078 432 T CA 0.419 62.632 62.100 0.188 0.000 1.135 432 T CB -0.030 68.929 68.868 0.152 0.000 0.895 432 T HN 0.767 nan 8.240 nan 0.000 0.480 433 A N 0.299 123.255 122.820 0.227 0.000 2.572 433 A HA 0.561 4.881 4.320 -0.000 0.000 0.295 433 A C -0.938 176.783 177.584 0.227 0.000 1.072 433 A CA -0.845 51.367 52.037 0.292 0.000 0.691 433 A CB 0.837 20.124 19.000 0.478 0.000 1.291 433 A HN 0.369 nan 8.150 nan 0.000 0.404 434 H N 0.736 119.905 119.070 0.164 0.000 2.815 434 H HA 0.206 4.762 4.556 -0.000 0.000 0.350 434 H C 1.628 177.045 175.328 0.148 0.000 1.080 434 H CA 1.438 57.567 56.048 0.136 0.000 1.433 434 H CB 1.521 31.372 29.762 0.148 0.000 1.432 434 H HN 0.809 nan 8.280 nan 0.000 0.592 435 G N 4.300 113.231 108.800 0.218 0.000 2.448 435 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 435 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 435 G C 1.823 176.853 174.900 0.217 0.000 1.127 435 G CA 0.261 45.297 45.100 -0.108 0.000 0.766 435 G HN 0.644 nan 8.290 nan 0.000 0.552 436 L N -0.409 121.192 121.223 0.631 0.000 2.447 436 L HA -0.026 4.314 4.340 -0.000 0.000 0.225 436 L C 2.636 179.562 176.870 0.093 0.000 1.148 436 L CA 0.885 55.935 54.840 0.349 0.000 0.808 436 L CB -0.055 42.040 42.059 0.060 0.000 0.928 436 L HN 0.205 nan 8.230 nan 0.000 0.448 437 K N -0.777 119.629 120.400 0.010 0.000 2.356 437 K HA 0.096 4.416 4.320 -0.000 0.000 0.195 437 K C -0.245 175.947 176.600 -0.679 0.000 1.037 437 K CA 0.412 56.492 56.287 -0.346 0.000 1.014 437 K CB 0.463 32.687 32.500 -0.459 0.000 0.815 437 K HN 0.118 nan 8.250 nan 0.000 0.507 438 F N 0.530 120.514 119.950 0.057 0.000 2.646 438 F HA 0.103 4.630 4.527 -0.000 0.000 0.336 438 F C 1.172 176.963 175.800 -0.013 0.000 1.437 438 F CA -0.648 57.365 58.000 0.023 0.000 1.142 438 F CB 0.671 39.668 39.000 -0.005 0.000 1.530 438 F HN -0.099 nan 8.300 nan 0.000 0.591 439 T N -3.389 111.247 114.554 0.135 0.000 2.937 439 T HA -0.101 4.249 4.350 -0.000 0.000 0.260 439 T C 1.792 176.565 174.700 0.122 0.000 1.051 439 T CA 0.759 62.943 62.100 0.140 0.000 1.141 439 T CB 0.047 69.011 68.868 0.160 0.000 0.879 439 T HN 0.243 nan 8.240 nan 0.000 0.459 440 Q N 1.711 121.585 119.800 0.124 0.000 2.135 440 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 440 Q C 2.820 178.886 176.000 0.110 0.000 0.981 440 Q CA 1.977 57.854 55.803 0.124 0.000 0.856 440 Q CB -0.517 28.304 28.738 0.137 0.000 0.902 440 Q HN 0.824 nan 8.270 nan 0.000 0.425 441 S N 0.009 115.761 115.700 0.087 0.000 2.423 441 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 441 S C 1.712 176.212 174.600 -0.167 0.000 1.014 441 S CA 0.886 59.010 58.200 -0.126 0.000 0.965 441 S CB -0.032 63.064 63.200 -0.174 0.000 0.785 441 S HN 0.267 nan 8.310 nan 0.000 0.495 442 K N 0.728 121.110 120.400 -0.029 0.000 2.137 442 K HA 0.300 4.620 4.320 -0.000 0.000 0.202 442 K C 1.958 178.699 176.600 0.235 0.000 1.052 442 K CA 0.894 57.231 56.287 0.084 0.000 0.961 442 K CB -0.267 32.281 32.500 0.080 0.000 0.741 442 K HN 0.353 nan 8.250 nan 0.000 0.452 443 I N 1.636 122.301 120.570 0.157 0.000 2.179 443 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 443 I C 1.550 177.744 176.117 0.128 0.000 1.088 443 I CA 1.260 62.649 61.300 0.149 0.000 1.357 443 I CB -0.188 37.878 38.000 0.110 0.000 1.051 443 I HN 0.107 nan 8.210 nan 0.000 0.409 444 D N -0.171 120.282 120.400 0.089 0.000 2.144 444 D HA -0.210 4.430 4.640 -0.000 0.000 0.200 444 D C 1.927 178.240 176.300 0.023 0.000 0.978 444 D CA 1.235 55.270 54.000 0.058 0.000 0.833 444 D CB -0.330 40.513 40.800 0.071 0.000 0.961 444 D HN 0.362 nan 8.370 nan 0.000 0.470 445 Y N 1.108 121.322 120.300 -0.143 0.000 2.145 445 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 445 Y C 2.319 178.080 175.900 -0.232 0.000 1.145 445 Y CA 1.749 59.699 58.100 -0.249 0.000 1.148 445 Y CB -0.084 38.143 38.460 -0.389 0.000 0.981 445 Y HN 0.132 nan 8.280 nan 0.000 0.507 446 H N -1.752 117.375 119.070 0.095 0.000 2.535 446 H HA 0.075 4.631 4.556 -0.000 0.000 0.273 446 H C 1.905 177.220 175.328 -0.022 0.000 0.983 446 H CA 1.111 57.182 56.048 0.038 0.000 1.238 446 H CB 0.155 29.986 29.762 0.115 0.000 1.412 446 H HN 0.285 nan 8.280 nan 0.000 0.562 447 S N 0.595 116.340 115.700 0.075 0.000 2.593 447 S HA -0.033 4.437 4.470 -0.000 0.000 0.217 447 S C 0.290 174.872 174.600 -0.030 0.000 0.966 447 S CA -0.121 58.096 58.200 0.028 0.000 0.914 447 S CB -0.036 63.188 63.200 0.041 0.000 0.776 447 S HN 0.504 nan 8.310 nan 0.000 0.523 448 N N 0.647 119.287 118.700 -0.099 0.000 2.725 448 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 448 N C 0.169 175.633 175.510 -0.076 0.000 1.031 448 N CA 0.714 53.681 53.050 -0.139 0.000 0.720 448 N CB -1.157 37.253 38.487 -0.128 0.000 0.930 448 N HN 0.475 nan 8.380 nan 0.000 0.543 449 A N -0.652 122.140 122.820 -0.047 0.000 2.431 449 A HA 0.385 4.705 4.320 -0.000 0.000 0.239 449 A C 0.475 178.073 177.584 0.024 0.000 1.230 449 A CA -0.251 51.784 52.037 -0.003 0.000 0.928 449 A CB 0.442 19.454 19.000 0.020 0.000 1.006 449 A HN 0.348 nan 8.150 nan 0.000 0.520 450 I N 2.004 122.585 120.570 0.018 0.000 2.325 450 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 450 I C -2.418 173.724 176.117 0.043 0.000 1.019 450 I CA -2.060 59.288 61.300 0.081 0.000 1.302 450 I CB 1.210 39.289 38.000 0.132 0.000 1.401 450 I HN 0.015 nan 8.210 nan 0.000 0.485 451 P HA 0.069 nan 4.420 nan 0.000 0.268 451 P C -0.194 177.118 177.300 0.020 0.000 1.205 451 P CA 0.115 63.228 63.100 0.020 0.000 0.771 451 P CB 0.361 32.072 31.700 0.018 0.000 0.858 452 D N -1.288 119.111 120.400 -0.001 0.000 3.077 452 D HA -0.202 4.438 4.640 -0.000 0.000 0.217 452 D C 0.119 176.416 176.300 -0.005 0.000 1.162 452 D CA 1.061 55.058 54.000 -0.005 0.000 0.943 452 D CB -0.925 39.874 40.800 -0.001 0.000 1.122 452 D HN 0.335 nan 8.370 nan 0.000 0.413 453 M N -0.085 119.511 119.600 -0.006 0.000 2.300 453 M HA 0.517 4.997 4.480 -0.000 0.000 0.348 453 M C 0.947 177.202 176.300 -0.076 0.000 1.151 453 M CA 0.039 55.330 55.300 -0.016 0.000 1.046 453 M CB 1.711 34.319 32.600 0.015 0.000 1.647 453 M HN -0.077 nan 8.290 nan 0.000 0.451 454 A N 2.597 125.364 122.820 -0.087 0.000 2.014 454 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 454 A C 1.105 178.559 177.584 -0.216 0.000 1.163 454 A CA 0.902 52.860 52.037 -0.130 0.000 0.652 454 A CB -1.019 17.909 19.000 -0.120 0.000 0.808 454 A HN 1.038 nan 8.150 nan 0.000 0.449 455 C N -0.270 118.856 119.300 -0.290 0.000 4.028 455 C HA -0.185 4.275 4.460 -0.000 0.000 0.300 455 C C 1.903 176.611 174.990 -0.470 0.000 1.399 455 C CA 0.930 59.572 59.018 -0.627 0.000 2.051 455 C CB -2.777 24.545 27.740 -0.698 0.000 1.318 455 C HN 0.804 nan 8.230 nan 0.000 0.696 456 R N -0.569 119.713 120.500 -0.363 0.000 2.189 456 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 456 R C 0.975 176.968 176.300 -0.512 0.000 1.092 456 R CA 1.633 57.447 56.100 -0.476 0.000 0.989 456 R CB -0.271 29.643 30.300 -0.643 0.000 0.876 456 R HN 0.575 nan 8.270 nan 0.000 0.457 457 F N 2.210 122.184 119.950 0.040 0.000 2.772 457 F HA 0.244 4.771 4.527 -0.000 0.000 0.302 457 F C 0.273 176.163 175.800 0.151 0.000 1.136 457 F CA -1.056 57.020 58.000 0.127 0.000 1.322 457 F CB 0.667 39.765 39.000 0.163 0.000 0.967 457 F HN -0.008 nan 8.300 nan 0.000 0.513 458 S N -0.280 115.447 115.700 0.046 0.000 2.564 458 S HA 0.107 4.576 4.470 -0.000 0.000 0.278 458 S C -0.017 174.730 174.600 0.244 0.000 1.333 458 S CA -0.547 57.660 58.200 0.011 0.000 1.048 458 S CB 1.123 64.174 63.200 -0.249 0.000 0.900 458 S HN 0.341 nan 8.310 nan 0.000 0.505 459 N N 2.840 121.838 118.700 0.496 0.000 2.918 459 N HA 0.388 5.128 4.740 -0.000 0.000 0.270 459 N C -2.700 172.896 175.510 0.143 0.000 1.536 459 N CA -1.740 51.467 53.050 0.262 0.000 0.877 459 N CB 0.552 39.166 38.487 0.212 0.000 1.190 459 N HN 0.530 nan 8.380 nan 0.000 0.492 460 P HA 0.361 nan 4.420 nan 0.000 0.277 460 P C -2.534 174.773 177.300 0.013 0.000 1.240 460 P CA -0.956 62.176 63.100 0.053 0.000 0.798 460 P CB 0.074 31.795 31.700 0.036 0.000 0.979 461 P HA 0.078 nan 4.420 nan 0.000 0.269 461 P C -0.573 176.716 177.300 -0.020 0.000 1.209 461 P CA 0.044 63.132 63.100 -0.021 0.000 0.776 461 P CB 0.363 32.053 31.700 -0.018 0.000 0.876 462 V N 2.597 122.492 119.914 -0.033 0.000 2.472 462 V HA 0.218 4.338 4.120 -0.000 0.000 0.290 462 V C 0.443 176.523 176.094 -0.023 0.000 1.037 462 V CA -0.521 61.763 62.300 -0.028 0.000 0.908 462 V CB 1.362 33.161 31.823 -0.039 0.000 0.985 462 V HN 0.498 nan 8.190 nan 0.000 0.454 463 D N 2.410 122.800 120.400 -0.016 0.000 2.225 463 D HA 0.563 5.202 4.640 -0.000 0.000 0.248 463 D C -0.734 175.558 176.300 -0.012 0.000 1.096 463 D CA 0.197 54.190 54.000 -0.012 0.000 0.863 463 D CB 2.243 43.038 40.800 -0.008 0.000 1.156 463 D HN 0.385 nan 8.370 nan 0.000 0.450 464 V N 2.880 122.788 119.914 -0.011 0.000 2.924 464 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 464 V C -0.821 175.272 176.094 -0.003 0.000 1.227 464 V CA -0.911 61.383 62.300 -0.009 0.000 0.954 464 V CB 2.210 34.024 31.823 -0.014 0.000 1.055 464 V HN 0.527 nan 8.190 nan 0.000 0.429 465 K N 5.147 125.547 120.400 0.001 0.000 2.120 465 K HA 0.570 4.890 4.320 -0.000 0.000 0.245 465 K C 0.157 176.764 176.600 0.013 0.000 1.024 465 K CA 0.281 56.572 56.287 0.006 0.000 0.906 465 K CB 1.321 33.826 32.500 0.008 0.000 1.051 465 K HN 1.199 nan 8.250 nan 0.000 0.491 466 A N 2.136 124.967 122.820 0.019 0.000 2.897 466 A HA 0.083 4.402 4.320 -0.000 0.000 0.287 466 A C -0.742 176.869 177.584 0.044 0.000 1.748 466 A CA 0.031 52.086 52.037 0.030 0.000 1.397 466 A CB -1.043 17.973 19.000 0.027 0.000 1.049 466 A HN 0.696 nan 8.150 nan 0.000 0.592 467 D N 0.959 121.390 120.400 0.052 0.000 2.936 467 D HA 0.330 4.969 4.640 -0.000 0.000 0.238 467 D C 0.351 176.711 176.300 0.100 0.000 1.248 467 D CA -0.613 53.431 54.000 0.074 0.000 0.903 467 D CB 0.627 41.453 40.800 0.042 0.000 1.544 467 D HN 0.155 nan 8.370 nan 0.000 0.543 468 F N 3.383 123.336 119.950 0.004 0.000 2.126 468 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 468 F C 1.789 177.593 175.800 0.007 0.000 1.096 468 F CA 2.367 60.371 58.000 0.005 0.000 1.255 468 F CB -0.252 38.751 39.000 0.005 0.000 0.997 468 F HN 0.464 nan 8.300 nan 0.000 0.479 469 G N -0.397 108.304 108.800 -0.164 0.000 2.402 469 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 469 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 469 G C 1.809 176.592 174.900 -0.195 0.000 1.162 469 G CA 0.745 45.692 45.100 -0.255 0.000 0.777 469 G HN 0.624 nan 8.290 nan 0.000 0.539 470 A N 0.087 122.847 122.820 -0.100 0.000 1.930 470 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 470 A C 2.573 180.109 177.584 -0.081 0.000 1.175 470 A CA 1.712 53.708 52.037 -0.069 0.000 0.627 470 A CB -0.512 18.469 19.000 -0.031 0.000 0.815 470 A HN 0.240 nan 8.150 nan 0.000 0.443 471 V N -0.160 119.698 119.914 -0.093 0.000 2.358 471 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 471 V C 2.644 178.669 176.094 -0.114 0.000 1.047 471 V CA 1.812 64.064 62.300 -0.079 0.000 1.035 471 V CB -0.616 31.181 31.823 -0.043 0.000 0.658 471 V HN 0.489 nan 8.190 nan 0.000 0.452 472 M N -0.365 119.101 119.600 -0.224 0.000 2.159 472 M HA -0.162 4.318 4.480 -0.000 0.000 0.263 472 M C 1.911 178.130 176.300 -0.135 0.000 1.063 472 M CA 1.666 56.825 55.300 -0.235 0.000 1.110 472 M CB -1.179 31.140 32.600 -0.469 0.000 1.374 472 M HN 0.346 nan 8.290 nan 0.000 0.411 473 D N 0.088 120.413 120.400 -0.124 0.000 2.117 473 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 473 D C 2.008 178.291 176.300 -0.028 0.000 0.982 473 D CA 1.202 55.161 54.000 -0.068 0.000 0.828 473 D CB -0.087 40.675 40.800 -0.062 0.000 0.967 473 D HN 0.332 nan 8.370 nan 0.000 0.464 474 V N -1.373 118.526 119.914 -0.026 0.000 2.871 474 V HA -0.020 4.100 4.120 -0.000 0.000 0.256 474 V C 2.092 178.209 176.094 0.038 0.000 1.082 474 V CA 0.887 63.189 62.300 0.003 0.000 1.105 474 V CB -0.663 31.152 31.823 -0.012 0.000 0.713 474 V HN 0.107 nan 8.190 nan 0.000 0.473 475 L N -0.232 121.007 121.223 0.027 0.000 2.127 475 L HA 0.042 4.382 4.340 -0.000 0.000 0.203 475 L C 2.760 179.696 176.870 0.109 0.000 1.080 475 L CA 1.709 56.598 54.840 0.081 0.000 0.768 475 L CB -0.469 41.613 42.059 0.038 0.000 0.924 475 L HN 0.243 nan 8.230 nan 0.000 0.444 476 K N -0.535 119.889 120.400 0.041 0.000 2.148 476 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 476 K C 2.309 178.925 176.600 0.027 0.000 1.050 476 K CA 1.344 57.644 56.287 0.023 0.000 0.942 476 K CB 0.049 32.544 32.500 -0.008 0.000 0.724 476 K HN 0.057 nan 8.250 nan 0.000 0.446 477 S N -0.351 115.375 115.700 0.044 0.000 2.428 477 S HA -0.136 4.334 4.470 -0.000 0.000 0.230 477 S C 1.662 176.310 174.600 0.081 0.000 1.014 477 S CA 0.622 58.849 58.200 0.045 0.000 0.957 477 S CB -0.282 62.943 63.200 0.041 0.000 0.784 477 S HN 0.513 nan 8.310 nan 0.000 0.499 478 Y N 1.555 121.852 120.300 -0.005 0.000 2.263 478 Y HA 0.210 4.760 4.550 -0.000 0.000 0.292 478 Y C 1.474 177.376 175.900 0.003 0.000 1.130 478 Y CA 1.251 59.353 58.100 0.003 0.000 1.179 478 Y CB -0.173 38.290 38.460 0.005 0.000 0.998 478 Y HN 0.220 nan 8.280 nan 0.000 0.532 479 L N 0.004 121.136 121.223 -0.151 0.000 2.591 479 L HA 0.333 4.673 4.340 -0.000 0.000 0.228 479 L C 0.871 177.656 176.870 -0.142 0.000 1.133 479 L CA 0.359 55.064 54.840 -0.225 0.000 0.880 479 L CB -0.266 41.747 42.059 -0.077 0.000 1.033 479 L HN 0.364 nan 8.230 nan 0.000 0.450 480 G N 0.000 108.743 108.800 -0.095 0.000 5.446 480 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 480 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 480 G CA 0.000 nan 45.100 nan 0.000 0.502 480 G HN 0.000 nan 8.290 nan 0.000 0.925