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 1m5y_1_B DATA FIRST_RESID 25 DATA SEQUENCE VDKVAAVVNN GVVLESDVDG LMQSVKLNAA QARQQLPDDA TLRHQIMERL DATA SEQUENCE IMDQIILQMG QKMGVKISDE QLDQAIANIA KQNNMTLDQM RSRLAYDGLN DATA SEQUENCE YNTYRNQIRK EMIISEVRNN EVRRRITILP QEVESLAQQX XXXXXXXTEL DATA SEQUENCE NLSHILIPLP ENPTSDQVNE AESQARAIVD QARNGADFGK LAIAHSADQQ DATA SEQUENCE ALNGGQMGWG RIQELPGIFA QALSTAKKGD IVGPIRSGVG FHILKVNDLR DATA SEQUENCE XXXXXXXXTE VHARHILLKP SPIMTDEQAR VKLEQIAADI KSGKTTFAAA DATA SEQUENCE AKEFSQDPGS ANQGGDLGWA TPDIFDPAFR DALTRLNKGQ MSAPVHSSFG DATA SEQUENCE WHLIELLDTR NXXXXXXXXX XRAYRMLMNR KFSEEAASWM QEQRASAYVK DATA SEQUENCE ILS 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 25 V HA 0.000 nan 4.120 nan 0.000 0.244 25 V C 0.000 176.092 176.094 -0.004 0.000 1.182 25 V CA 0.000 62.298 62.300 -0.002 0.000 1.235 25 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 26 D N 4.549 124.947 120.400 -0.004 0.000 2.441 26 D HA 0.310 4.950 4.640 -0.000 0.000 0.221 26 D C 0.625 176.921 176.300 -0.008 0.000 1.156 26 D CA -0.122 53.874 54.000 -0.006 0.000 0.896 26 D CB 0.726 41.522 40.800 -0.006 0.000 1.028 26 D HN 0.397 nan 8.370 nan 0.000 0.509 27 K N 1.249 121.644 120.400 -0.008 0.000 2.402 27 K HA 0.094 4.414 4.320 -0.000 0.000 0.265 27 K C -0.168 176.424 176.600 -0.014 0.000 0.978 27 K CA -0.200 56.081 56.287 -0.010 0.000 0.913 27 K CB 0.516 33.010 32.500 -0.010 0.000 0.954 27 K HN 0.145 nan 8.250 nan 0.000 0.511 28 V N 1.539 121.444 119.914 -0.016 0.000 2.394 28 V HA 0.182 4.301 4.120 -0.000 0.000 0.282 28 V C 1.055 177.133 176.094 -0.026 0.000 1.031 28 V CA -0.172 62.114 62.300 -0.022 0.000 0.881 28 V CB 1.182 32.991 31.823 -0.023 0.000 0.982 28 V HN 0.898 nan 8.190 nan 0.000 0.451 29 A N 3.989 126.790 122.820 -0.031 0.000 2.030 29 A HA 0.736 5.056 4.320 -0.000 0.000 0.215 29 A C 0.952 178.509 177.584 -0.044 0.000 1.164 29 A CA 0.967 52.984 52.037 -0.033 0.000 0.697 29 A CB 0.127 19.107 19.000 -0.033 0.000 0.827 29 A HN 1.324 nan 8.150 nan 0.000 0.457 30 A N -1.566 121.221 122.820 -0.056 0.000 2.599 30 A HA 0.545 4.865 4.320 -0.000 0.000 0.294 30 A C -1.169 176.356 177.584 -0.098 0.000 1.055 30 A CA -0.396 51.593 52.037 -0.080 0.000 0.683 30 A CB 0.602 19.551 19.000 -0.085 0.000 1.278 30 A HN 0.493 nan 8.150 nan 0.000 0.412 31 V N 0.738 120.565 119.914 -0.145 0.000 2.472 31 V HA 0.628 4.748 4.120 -0.000 0.000 0.290 31 V C -0.344 175.604 176.094 -0.244 0.000 1.037 31 V CA -0.546 61.648 62.300 -0.177 0.000 0.908 31 V CB 1.415 33.108 31.823 -0.217 0.000 0.985 31 V HN 0.738 nan 8.190 nan 0.000 0.454 32 V N 5.446 125.258 119.914 -0.170 0.000 2.385 32 V HA 0.419 4.539 4.120 -0.000 0.000 0.277 32 V C 0.372 176.425 176.094 -0.068 0.000 1.012 32 V CA -0.483 61.730 62.300 -0.144 0.000 0.832 32 V CB 0.512 32.278 31.823 -0.095 0.000 1.028 32 V HN 1.012 nan 8.190 nan 0.000 0.436 33 N N 3.198 121.883 118.700 -0.024 0.000 1.347 33 N HA -0.273 4.466 4.740 -0.000 0.000 0.141 33 N C 0.570 176.160 175.510 0.133 0.000 0.677 33 N CA 1.894 55.032 53.050 0.147 0.000 1.016 33 N CB -0.576 37.958 38.487 0.078 0.000 1.268 33 N HN 0.671 nan 8.380 nan 0.000 0.487 34 N N 3.001 121.746 118.700 0.074 0.000 3.331 34 N HA 0.452 5.192 4.740 -0.000 0.000 0.303 34 N C 0.403 175.930 175.510 0.029 0.000 1.326 34 N CA 0.839 53.922 53.050 0.055 0.000 1.207 34 N CB -0.018 38.493 38.487 0.040 0.000 1.477 34 N HN 0.645 nan 8.380 nan 0.000 0.541 35 G N -1.399 107.412 108.800 0.019 0.000 2.317 35 G HA2 0.337 4.297 3.960 -0.000 0.000 0.293 35 G HA3 0.337 4.297 3.960 -0.000 0.000 0.293 35 G C -1.455 173.431 174.900 -0.023 0.000 1.287 35 G CA -0.343 44.757 45.100 -0.002 0.000 0.850 35 G HN 0.138 nan 8.290 nan 0.000 0.515 36 V N -3.382 116.515 119.914 -0.029 0.000 3.182 36 V HA 0.902 5.022 4.120 -0.000 0.000 0.308 36 V C -0.788 175.281 176.094 -0.042 0.000 1.240 36 V CA -1.129 61.146 62.300 -0.043 0.000 1.063 36 V CB 1.584 33.387 31.823 -0.034 0.000 1.076 36 V HN 1.127 nan 8.190 nan 0.000 0.446 37 V N 2.565 122.450 119.914 -0.049 0.000 2.313 37 V HA 0.421 4.541 4.120 -0.000 0.000 0.278 37 V C 0.056 176.128 176.094 -0.037 0.000 1.017 37 V CA -0.308 61.965 62.300 -0.045 0.000 0.823 37 V CB 0.997 32.787 31.823 -0.056 0.000 1.010 37 V HN 0.736 nan 8.190 nan 0.000 0.443 38 L N 2.992 124.198 121.223 -0.029 0.000 2.439 38 L HA 0.222 4.562 4.340 -0.000 0.000 0.269 38 L C 1.728 178.584 176.870 -0.022 0.000 1.179 38 L CA -0.128 54.698 54.840 -0.023 0.000 0.828 38 L CB 0.734 42.782 42.059 -0.018 0.000 1.106 38 L HN 0.602 nan 8.230 nan 0.000 0.467 39 E N 1.076 121.265 120.200 -0.019 0.000 2.118 39 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 39 E C 2.037 178.629 176.600 -0.014 0.000 0.992 39 E CA 1.786 58.175 56.400 -0.017 0.000 0.804 39 E CB 0.050 29.742 29.700 -0.013 0.000 0.741 39 E HN 0.749 nan 8.360 nan 0.000 0.458 40 S N 0.464 116.156 115.700 -0.012 0.000 2.348 40 S HA -0.200 4.270 4.470 -0.000 0.000 0.221 40 S C 1.618 176.211 174.600 -0.012 0.000 1.033 40 S CA 1.386 59.580 58.200 -0.010 0.000 1.010 40 S CB -0.621 62.574 63.200 -0.008 0.000 0.891 40 S HN 0.198 nan 8.310 nan 0.000 0.442 41 D N 1.555 121.946 120.400 -0.015 0.000 2.158 41 D HA -0.072 4.567 4.640 -0.000 0.000 0.197 41 D C 2.096 178.384 176.300 -0.020 0.000 0.995 41 D CA 1.116 55.105 54.000 -0.018 0.000 0.846 41 D CB -0.718 40.068 40.800 -0.023 0.000 0.941 41 D HN 0.376 nan 8.370 nan 0.000 0.456 42 V N 1.595 121.496 119.914 -0.022 0.000 2.427 42 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 42 V C 1.887 177.971 176.094 -0.017 0.000 1.051 42 V CA 1.641 63.926 62.300 -0.024 0.000 1.048 42 V CB -0.313 31.495 31.823 -0.025 0.000 0.666 42 V HN 0.097 nan 8.190 nan 0.000 0.456 43 D N 0.648 121.040 120.400 -0.013 0.000 2.117 43 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 43 D C 2.202 178.499 176.300 -0.005 0.000 0.982 43 D CA 1.623 55.618 54.000 -0.008 0.000 0.828 43 D CB -0.481 40.315 40.800 -0.006 0.000 0.967 43 D HN 0.481 nan 8.370 nan 0.000 0.464 44 G N 1.142 109.939 108.800 -0.005 0.000 2.418 44 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 44 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 44 G C 1.586 176.485 174.900 -0.001 0.000 1.158 44 G CA 0.381 45.481 45.100 -0.000 0.000 0.771 44 G HN 0.203 nan 8.290 nan 0.000 0.545 45 L N -0.064 121.154 121.223 -0.008 0.000 2.109 45 L HA 0.204 4.544 4.340 -0.000 0.000 0.207 45 L C 2.647 179.511 176.870 -0.009 0.000 1.086 45 L CA 1.831 56.665 54.840 -0.010 0.000 0.760 45 L CB -0.478 41.570 42.059 -0.019 0.000 0.910 45 L HN 0.267 nan 8.230 nan 0.000 0.437 46 M N -0.877 118.716 119.600 -0.010 0.000 2.065 46 M HA -0.215 4.265 4.480 -0.000 0.000 0.259 46 M C 2.118 178.416 176.300 -0.003 0.000 1.069 46 M CA 1.782 57.077 55.300 -0.009 0.000 1.110 46 M CB -0.559 32.035 32.600 -0.010 0.000 1.328 46 M HN 0.229 nan 8.290 nan 0.000 0.405 47 Q N -0.715 119.086 119.800 0.001 0.000 2.170 47 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 47 Q C 2.386 178.392 176.000 0.010 0.000 0.976 47 Q CA 1.706 57.512 55.803 0.006 0.000 0.858 47 Q CB -0.814 27.929 28.738 0.008 0.000 0.907 47 Q HN 0.691 nan 8.270 nan 0.000 0.433 48 S N -0.232 115.474 115.700 0.010 0.000 2.345 48 S HA -0.100 4.370 4.470 -0.000 0.000 0.220 48 S C 2.037 176.644 174.600 0.012 0.000 1.031 48 S CA 1.293 59.502 58.200 0.015 0.000 0.996 48 S CB -0.108 63.101 63.200 0.014 0.000 0.882 48 S HN 0.179 nan 8.310 nan 0.000 0.445 49 V N 2.714 122.631 119.914 0.005 0.000 2.343 49 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 49 V C 2.748 178.844 176.094 0.005 0.000 1.051 49 V CA 1.715 64.016 62.300 0.003 0.000 1.036 49 V CB -0.643 31.177 31.823 -0.006 0.000 0.654 49 V HN 0.391 nan 8.190 nan 0.000 0.451 50 K N -0.237 120.165 120.400 0.004 0.000 1.991 50 K HA -0.162 4.157 4.320 -0.000 0.000 0.212 50 K C 2.111 178.717 176.600 0.010 0.000 1.049 50 K CA 1.411 57.701 56.287 0.005 0.000 0.932 50 K CB -0.812 31.691 32.500 0.004 0.000 0.717 50 K HN 0.260 nan 8.250 nan 0.000 0.441 51 L N 2.251 123.482 121.223 0.013 0.000 1.970 51 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 51 L C 2.024 178.905 176.870 0.019 0.000 1.071 51 L CA 1.660 56.511 54.840 0.017 0.000 0.751 51 L CB -1.025 41.047 42.059 0.022 0.000 0.889 51 L HN 0.235 nan 8.230 nan 0.000 0.432 52 N N -0.551 118.161 118.700 0.020 0.000 2.205 52 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 52 N C 1.756 177.277 175.510 0.019 0.000 1.015 52 N CA 1.452 54.515 53.050 0.021 0.000 0.862 52 N CB -0.196 38.305 38.487 0.022 0.000 0.986 52 N HN 0.428 nan 8.380 nan 0.000 0.429 53 A N 1.009 123.838 122.820 0.015 0.000 1.873 53 A HA 0.076 4.396 4.320 -0.000 0.000 0.215 53 A C 2.418 180.010 177.584 0.015 0.000 1.186 53 A CA 1.750 53.795 52.037 0.013 0.000 0.616 53 A CB -0.782 18.223 19.000 0.008 0.000 0.823 53 A HN 0.305 nan 8.150 nan 0.000 0.442 54 A N -1.062 121.767 122.820 0.014 0.000 1.858 54 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 54 A C 2.072 179.666 177.584 0.017 0.000 1.190 54 A CA 1.657 53.703 52.037 0.015 0.000 0.617 54 A CB -0.642 18.367 19.000 0.014 0.000 0.827 54 A HN 0.502 nan 8.150 nan 0.000 0.443 55 Q N -0.320 119.491 119.800 0.019 0.000 2.631 55 Q HA 0.022 4.362 4.340 -0.000 0.000 0.220 55 Q C 0.817 176.830 176.000 0.022 0.000 0.978 55 Q CA 0.945 56.761 55.803 0.021 0.000 0.961 55 Q CB -0.254 28.498 28.738 0.023 0.000 0.988 55 Q HN 0.598 nan 8.270 nan 0.000 0.567 56 A N -0.209 122.624 122.820 0.022 0.000 2.704 56 A HA 0.234 4.554 4.320 -0.000 0.000 0.260 56 A C -0.036 177.561 177.584 0.022 0.000 1.144 56 A CA -0.385 51.666 52.037 0.023 0.000 0.985 56 A CB 0.462 19.477 19.000 0.024 0.000 1.256 56 A HN 0.392 nan 8.150 nan 0.000 0.598 57 R N -0.513 119.999 120.500 0.020 0.000 3.127 57 R HA -0.187 4.153 4.340 -0.000 0.000 0.247 57 R C -0.376 175.936 176.300 0.020 0.000 0.896 57 R CA 1.059 57.170 56.100 0.019 0.000 0.624 57 R CB -1.469 28.843 30.300 0.019 0.000 1.154 57 R HN 0.643 nan 8.270 nan 0.000 0.474 58 Q N 1.222 121.033 119.800 0.018 0.000 2.310 58 Q HA 0.228 4.568 4.340 -0.000 0.000 0.270 58 Q C -0.848 175.161 176.000 0.014 0.000 1.025 58 Q CA -0.630 55.185 55.803 0.019 0.000 0.772 58 Q CB 1.454 30.203 28.738 0.019 0.000 1.253 58 Q HN 0.264 nan 8.270 nan 0.000 0.450 59 Q N 2.726 122.535 119.800 0.015 0.000 2.361 59 Q HA 0.296 4.636 4.340 -0.000 0.000 0.276 59 Q C -0.596 175.405 176.000 0.003 0.000 1.022 59 Q CA 0.370 56.179 55.803 0.010 0.000 0.898 59 Q CB 0.783 29.529 28.738 0.013 0.000 1.246 59 Q HN 0.598 nan 8.270 nan 0.000 0.410 60 L N 4.084 125.305 121.223 -0.002 0.000 2.346 60 L HA 0.560 4.900 4.340 -0.000 0.000 0.274 60 L C -2.004 174.856 176.870 -0.017 0.000 1.007 60 L CA -2.263 52.570 54.840 -0.012 0.000 0.818 60 L CB 1.631 43.684 42.059 -0.010 0.000 1.284 60 L HN 0.532 nan 8.230 nan 0.000 0.424 61 P HA 0.067 nan 4.420 nan 0.000 0.274 61 P C -1.228 176.055 177.300 -0.028 0.000 1.256 61 P CA -0.541 62.538 63.100 -0.035 0.000 0.795 61 P CB 0.355 32.015 31.700 -0.066 0.000 1.038 62 D N 0.461 120.846 120.400 -0.025 0.000 2.478 62 D HA -0.099 4.541 4.640 -0.000 0.000 0.234 62 D C 0.237 176.525 176.300 -0.021 0.000 1.154 62 D CA 0.017 54.005 54.000 -0.020 0.000 0.874 62 D CB 0.344 41.133 40.800 -0.018 0.000 1.198 62 D HN 0.201 nan 8.370 nan 0.000 0.455 63 D N 1.293 121.684 120.400 -0.015 0.000 2.322 63 D HA -0.148 4.491 4.640 -0.000 0.000 0.210 63 D C 1.808 178.102 176.300 -0.010 0.000 0.983 63 D CA 1.483 55.476 54.000 -0.012 0.000 0.902 63 D CB -0.179 40.616 40.800 -0.009 0.000 0.905 63 D HN 0.588 nan 8.370 nan 0.000 0.483 64 A N -0.005 122.807 122.820 -0.013 0.000 1.840 64 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 64 A C 2.368 179.950 177.584 -0.003 0.000 1.198 64 A CA 1.874 53.904 52.037 -0.011 0.000 0.608 64 A CB -0.918 18.069 19.000 -0.021 0.000 0.839 64 A HN 0.213 nan 8.150 nan 0.000 0.443 65 T N 0.483 115.022 114.554 -0.025 0.000 2.665 65 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 65 T C 1.834 176.535 174.700 0.000 0.000 1.035 65 T CA 1.660 63.739 62.100 -0.035 0.000 1.151 65 T CB -0.494 68.319 68.868 -0.092 0.000 0.862 65 T HN 0.215 nan 8.240 nan 0.000 0.438 66 L N 1.414 122.625 121.223 -0.020 0.000 2.013 66 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 66 L C 2.592 179.456 176.870 -0.010 0.000 1.073 66 L CA 1.786 56.613 54.840 -0.021 0.000 0.753 66 L CB -0.692 41.354 42.059 -0.022 0.000 0.890 66 L HN 0.131 nan 8.230 nan 0.000 0.432 67 R N -1.771 118.731 120.500 0.003 0.000 2.091 67 R HA -0.271 4.069 4.340 -0.000 0.000 0.238 67 R C 2.396 178.699 176.300 0.005 0.000 1.136 67 R CA 1.847 57.947 56.100 0.000 0.000 0.959 67 R CB -0.484 29.821 30.300 0.008 0.000 0.856 67 R HN 0.581 nan 8.270 nan 0.000 0.437 68 H N 0.527 119.565 119.070 -0.053 0.000 2.265 68 H HA -0.151 4.405 4.556 -0.000 0.000 0.295 68 H C 2.114 177.407 175.328 -0.058 0.000 1.084 68 H CA 2.381 58.396 56.048 -0.055 0.000 1.261 68 H CB -0.070 29.655 29.762 -0.063 0.000 1.360 68 H HN 0.202 nan 8.280 nan 0.000 0.487 69 Q N 0.178 119.907 119.800 -0.119 0.000 2.061 69 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 69 Q C 2.819 178.729 176.000 -0.151 0.000 0.984 69 Q CA 1.720 57.429 55.803 -0.157 0.000 0.846 69 Q CB -0.414 28.280 28.738 -0.074 0.000 0.902 69 Q HN 0.598 nan 8.270 nan 0.000 0.421 70 I N 0.170 120.679 120.570 -0.102 0.000 2.286 70 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 70 I C 2.336 178.391 176.117 -0.104 0.000 1.115 70 I CA 0.790 62.041 61.300 -0.082 0.000 1.392 70 I CB -0.215 37.754 38.000 -0.052 0.000 1.065 70 I HN 0.220 nan 8.210 nan 0.000 0.418 71 M N -0.100 119.418 119.600 -0.136 0.000 2.059 71 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 71 M C 2.299 178.495 176.300 -0.173 0.000 1.072 71 M CA 1.736 56.950 55.300 -0.143 0.000 1.117 71 M CB -1.156 31.353 32.600 -0.152 0.000 1.320 71 M HN 0.140 nan 8.290 nan 0.000 0.408 72 E N 0.025 120.065 120.200 -0.266 0.000 2.114 72 E HA -0.242 4.107 4.350 -0.000 0.000 0.199 72 E C 2.009 178.523 176.600 -0.143 0.000 1.008 72 E CA 1.455 57.717 56.400 -0.230 0.000 0.810 72 E CB -0.510 29.015 29.700 -0.291 0.000 0.739 72 E HN 0.327 nan 8.360 nan 0.000 0.456 73 R N 0.865 121.293 120.500 -0.120 0.000 2.062 73 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 73 R C 2.517 178.776 176.300 -0.068 0.000 1.136 73 R CA 1.201 57.255 56.100 -0.077 0.000 0.948 73 R CB -0.859 29.405 30.300 -0.060 0.000 0.845 73 R HN 0.173 nan 8.270 nan 0.000 0.430 74 L N -0.033 121.146 121.223 -0.073 0.000 2.012 74 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 74 L C 2.488 179.318 176.870 -0.067 0.000 1.073 74 L CA 1.619 56.422 54.840 -0.062 0.000 0.748 74 L CB -0.461 41.562 42.059 -0.060 0.000 0.891 74 L HN 0.226 nan 8.230 nan 0.000 0.431 75 I N -1.026 119.493 120.570 -0.085 0.000 2.194 75 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 75 I C 2.587 178.652 176.117 -0.087 0.000 1.093 75 I CA 1.382 62.628 61.300 -0.090 0.000 1.355 75 I CB -0.171 37.766 38.000 -0.106 0.000 1.046 75 I HN 0.332 nan 8.210 nan 0.000 0.413 76 M N 0.876 120.422 119.600 -0.089 0.000 2.077 76 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 76 M C 1.721 177.984 176.300 -0.061 0.000 1.070 76 M CA 1.908 57.154 55.300 -0.091 0.000 1.125 76 M CB -0.557 31.991 32.600 -0.087 0.000 1.339 76 M HN 0.043 nan 8.290 nan 0.000 0.409 77 D N -0.289 120.086 120.400 -0.040 0.000 2.172 77 D HA -0.225 4.414 4.640 -0.000 0.000 0.196 77 D C 1.962 178.251 176.300 -0.018 0.000 0.999 77 D CA 1.397 55.387 54.000 -0.017 0.000 0.856 77 D CB -0.299 40.490 40.800 -0.019 0.000 0.934 77 D HN 0.452 nan 8.370 nan 0.000 0.453 78 Q N 0.318 120.097 119.800 -0.035 0.000 1.993 78 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 78 Q C 2.271 178.254 176.000 -0.028 0.000 0.984 78 Q CA 1.055 56.839 55.803 -0.032 0.000 0.837 78 Q CB -0.467 28.244 28.738 -0.045 0.000 0.902 78 Q HN 0.330 nan 8.270 nan 0.000 0.423 79 I N 0.275 120.815 120.570 -0.050 0.000 2.091 79 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 79 I C 2.258 178.359 176.117 -0.026 0.000 1.061 79 I CA 1.631 62.897 61.300 -0.058 0.000 1.317 79 I CB -0.607 37.322 38.000 -0.118 0.000 1.031 79 I HN 0.396 nan 8.210 nan 0.000 0.401 80 I N -0.374 120.185 120.570 -0.020 0.000 2.916 80 I HA -0.208 3.962 4.170 -0.000 0.000 0.267 80 I C 1.981 178.153 176.117 0.091 0.000 1.263 80 I CA 1.504 62.855 61.300 0.085 0.000 1.471 80 I CB -0.142 37.965 38.000 0.177 0.000 1.089 80 I HN 0.128 nan 8.210 nan 0.000 0.468 81 L N 0.323 121.572 121.223 0.043 0.000 2.127 81 L HA 0.022 4.362 4.340 -0.000 0.000 0.203 81 L C 2.485 179.374 176.870 0.032 0.000 1.080 81 L CA 1.585 56.446 54.840 0.035 0.000 0.768 81 L CB -0.735 41.332 42.059 0.013 0.000 0.924 81 L HN 0.329 nan 8.230 nan 0.000 0.444 82 Q N -1.247 118.568 119.800 0.024 0.000 2.084 82 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 82 Q C 2.224 178.247 176.000 0.039 0.000 0.978 82 Q CA 1.972 57.790 55.803 0.024 0.000 0.844 82 Q CB -0.312 28.437 28.738 0.017 0.000 0.898 82 Q HN 0.483 nan 8.270 nan 0.000 0.426 83 M N 0.517 120.150 119.600 0.055 0.000 2.110 83 M HA -0.205 4.275 4.480 -0.000 0.000 0.257 83 M C 2.083 178.427 176.300 0.073 0.000 1.071 83 M CA 2.261 57.610 55.300 0.081 0.000 1.096 83 M CB -0.638 32.045 32.600 0.139 0.000 1.300 83 M HN 0.329 nan 8.290 nan 0.000 0.411 84 G N -0.840 108.004 108.800 0.073 0.000 2.503 84 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.221 84 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.221 84 G C 1.281 176.203 174.900 0.037 0.000 1.131 84 G CA 1.293 46.425 45.100 0.054 0.000 0.756 84 G HN 0.670 nan 8.290 nan 0.000 0.572 85 Q N 0.230 120.049 119.800 0.032 0.000 1.967 85 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 85 Q C 2.499 178.513 176.000 0.024 0.000 0.985 85 Q CA 1.844 57.661 55.803 0.023 0.000 0.839 85 Q CB -0.308 28.442 28.738 0.020 0.000 0.906 85 Q HN 0.491 nan 8.270 nan 0.000 0.423 86 K N 0.496 120.913 120.400 0.029 0.000 2.000 86 K HA -0.213 4.107 4.320 -0.000 0.000 0.218 86 K C 1.893 178.509 176.600 0.027 0.000 1.053 86 K CA 2.211 58.515 56.287 0.028 0.000 0.946 86 K CB -0.427 32.093 32.500 0.033 0.000 0.723 86 K HN 0.502 nan 8.250 nan 0.000 0.446 87 M N 0.105 119.725 119.600 0.033 0.000 2.766 87 M HA 0.187 4.667 4.480 -0.000 0.000 0.208 87 M C 0.363 176.676 176.300 0.022 0.000 1.152 87 M CA 0.810 56.127 55.300 0.029 0.000 1.013 87 M CB -0.722 31.898 32.600 0.035 0.000 1.813 87 M HN 0.247 nan 8.290 nan 0.000 0.478 88 G N 1.701 110.513 108.800 0.020 0.000 2.247 88 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.265 88 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.265 88 G C -0.391 174.517 174.900 0.013 0.000 0.861 88 G CA 0.047 45.156 45.100 0.015 0.000 1.289 88 G HN 0.506 nan 8.290 nan 0.000 0.403 89 V N 3.300 123.223 119.914 0.015 0.000 2.370 89 V HA 0.551 4.671 4.120 -0.000 0.000 0.283 89 V C 0.317 176.417 176.094 0.008 0.000 1.023 89 V CA -0.620 61.687 62.300 0.012 0.000 0.857 89 V CB 1.692 33.525 31.823 0.017 0.000 0.985 89 V HN 0.475 nan 8.190 nan 0.000 0.443 90 K N 4.063 124.466 120.400 0.005 0.000 2.318 90 K HA 0.677 4.997 4.320 -0.000 0.000 0.249 90 K C -1.392 175.208 176.600 0.001 0.000 0.942 90 K CA -0.792 55.496 56.287 0.003 0.000 0.808 90 K CB 2.781 35.282 32.500 0.003 0.000 1.189 90 K HN 0.427 nan 8.250 nan 0.000 0.428 91 I N 1.468 122.036 120.570 -0.002 0.000 2.411 91 I HA 0.081 4.250 4.170 -0.000 0.000 0.284 91 I C 0.442 176.558 176.117 -0.002 0.000 1.012 91 I CA -0.377 60.921 61.300 -0.003 0.000 1.119 91 I CB 1.412 39.407 38.000 -0.009 0.000 1.261 91 I HN 0.467 nan 8.210 nan 0.000 0.448 92 S N 2.353 118.055 115.700 0.002 0.000 2.560 92 S HA 0.083 4.553 4.470 -0.000 0.000 0.284 92 S C 0.703 175.309 174.600 0.009 0.000 1.327 92 S CA -0.366 57.838 58.200 0.006 0.000 1.055 92 S CB 0.610 63.815 63.200 0.008 0.000 0.868 92 S HN 0.603 nan 8.310 nan 0.000 0.506 93 D N 1.355 121.763 120.400 0.014 0.000 2.190 93 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 93 D C 1.720 178.037 176.300 0.029 0.000 0.992 93 D CA 1.791 55.804 54.000 0.022 0.000 0.854 93 D CB -0.131 40.688 40.800 0.031 0.000 0.936 93 D HN 0.883 nan 8.370 nan 0.000 0.462 94 E N 0.248 120.462 120.200 0.024 0.000 2.085 94 E HA -0.257 4.092 4.350 -0.000 0.000 0.194 94 E C 1.874 178.488 176.600 0.023 0.000 0.994 94 E CA 1.082 57.496 56.400 0.025 0.000 0.801 94 E CB 0.096 29.808 29.700 0.018 0.000 0.743 94 E HN 0.409 nan 8.360 nan 0.000 0.453 95 Q N 0.353 120.163 119.800 0.016 0.000 2.083 95 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 95 Q C 2.489 178.499 176.000 0.016 0.000 0.969 95 Q CA 0.954 56.764 55.803 0.013 0.000 0.838 95 Q CB -0.160 28.582 28.738 0.006 0.000 0.900 95 Q HN 0.326 nan 8.270 nan 0.000 0.436 96 L N 1.420 122.651 121.223 0.014 0.000 1.978 96 L HA -0.305 4.035 4.340 -0.000 0.000 0.218 96 L C 1.860 178.752 176.870 0.037 0.000 1.075 96 L CA 1.635 56.481 54.840 0.011 0.000 0.767 96 L CB -0.421 41.639 42.059 0.001 0.000 0.890 96 L HN 0.309 nan 8.230 nan 0.000 0.434 97 D N -0.948 119.485 120.400 0.055 0.000 2.133 97 D HA -0.288 4.351 4.640 -0.000 0.000 0.195 97 D C 2.037 178.378 176.300 0.069 0.000 0.997 97 D CA 1.493 55.543 54.000 0.083 0.000 0.840 97 D CB -0.245 40.603 40.800 0.080 0.000 0.947 97 D HN 0.349 nan 8.370 nan 0.000 0.452 98 Q N 1.085 120.912 119.800 0.046 0.000 2.084 98 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 98 Q C 1.948 177.971 176.000 0.039 0.000 0.978 98 Q CA 1.950 57.775 55.803 0.037 0.000 0.844 98 Q CB -0.517 28.236 28.738 0.024 0.000 0.898 98 Q HN 0.229 nan 8.270 nan 0.000 0.426 99 A N 0.367 123.208 122.820 0.036 0.000 1.845 99 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 99 A C 2.177 179.796 177.584 0.058 0.000 1.195 99 A CA 1.704 53.761 52.037 0.033 0.000 0.616 99 A CB -0.945 18.065 19.000 0.016 0.000 0.832 99 A HN 0.468 nan 8.150 nan 0.000 0.443 100 I N -0.043 120.577 120.570 0.083 0.000 2.194 100 I HA -0.339 3.830 4.170 -0.000 0.000 0.246 100 I C 2.978 179.166 176.117 0.118 0.000 1.093 100 I CA 1.130 62.515 61.300 0.141 0.000 1.355 100 I CB -0.498 37.624 38.000 0.203 0.000 1.046 100 I HN 0.387 nan 8.210 nan 0.000 0.413 101 A N 1.287 124.162 122.820 0.091 0.000 1.873 101 A HA -0.256 4.063 4.320 -0.000 0.000 0.218 101 A C 2.122 179.738 177.584 0.054 0.000 1.193 101 A CA 2.202 54.279 52.037 0.067 0.000 0.629 101 A CB -0.827 18.204 19.000 0.052 0.000 0.826 101 A HN 0.461 nan 8.150 nan 0.000 0.447 102 N N 0.159 118.887 118.700 0.048 0.000 2.149 102 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 102 N C 1.717 177.254 175.510 0.045 0.000 1.019 102 N CA 1.763 54.836 53.050 0.038 0.000 0.857 102 N CB -0.470 38.036 38.487 0.031 0.000 0.997 102 N HN 0.636 nan 8.380 nan 0.000 0.426 103 I N 0.985 121.592 120.570 0.062 0.000 2.315 103 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 103 I C 2.429 178.585 176.117 0.065 0.000 1.117 103 I CA 0.788 62.131 61.300 0.072 0.000 1.404 103 I CB -0.418 37.647 38.000 0.109 0.000 1.071 103 I HN 0.020 nan 8.210 nan 0.000 0.419 104 A N 1.345 124.204 122.820 0.065 0.000 1.898 104 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 104 A C 2.343 179.946 177.584 0.032 0.000 1.181 104 A CA 1.378 53.443 52.037 0.046 0.000 0.620 104 A CB -0.283 18.744 19.000 0.045 0.000 0.819 104 A HN 0.217 nan 8.150 nan 0.000 0.442 105 K N -0.441 119.978 120.400 0.031 0.000 2.057 105 K HA -0.145 4.174 4.320 -0.000 0.000 0.206 105 K C 2.004 178.617 176.600 0.022 0.000 1.050 105 K CA 1.619 57.919 56.287 0.022 0.000 0.935 105 K CB -0.610 31.902 32.500 0.020 0.000 0.715 105 K HN 0.544 nan 8.250 nan 0.000 0.439 106 Q N 1.038 120.855 119.800 0.028 0.000 2.368 106 Q HA -0.047 4.293 4.340 -0.000 0.000 0.210 106 Q C 0.696 176.712 176.000 0.028 0.000 0.982 106 Q CA 1.029 56.849 55.803 0.028 0.000 0.884 106 Q CB 0.087 28.845 28.738 0.033 0.000 0.933 106 Q HN 0.210 nan 8.270 nan 0.000 0.460 107 N N -0.085 118.632 118.700 0.028 0.000 2.235 107 N HA 0.137 4.877 4.740 -0.000 0.000 0.231 107 N C -1.102 174.416 175.510 0.014 0.000 1.177 107 N CA 0.100 53.164 53.050 0.024 0.000 0.874 107 N CB 0.388 38.893 38.487 0.030 0.000 1.097 107 N HN 0.299 nan 8.380 nan 0.000 0.518 108 N N 1.018 119.725 118.700 0.011 0.000 2.771 108 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 108 N C -0.712 174.797 175.510 -0.001 0.000 1.069 108 N CA 0.519 53.572 53.050 0.004 0.000 0.688 108 N CB -1.005 37.483 38.487 0.001 0.000 0.928 108 N HN 0.369 nan 8.380 nan 0.000 0.551 109 M N -3.417 116.184 119.600 0.002 0.000 2.833 109 M HA 0.465 4.945 4.480 -0.000 0.000 0.270 109 M C -0.330 175.971 176.300 0.001 0.000 1.209 109 M CA -0.987 54.311 55.300 -0.003 0.000 0.826 109 M CB 1.590 34.186 32.600 -0.007 0.000 1.657 109 M HN -0.011 nan 8.290 nan 0.000 0.492 110 T N -1.175 113.376 114.554 -0.004 0.000 2.927 110 T HA 0.475 4.824 4.350 -0.000 0.000 0.281 110 T C 0.721 175.422 174.700 0.001 0.000 0.998 110 T CA -0.868 61.231 62.100 -0.001 0.000 1.019 110 T CB 1.762 70.625 68.868 -0.008 0.000 1.061 110 T HN 0.687 nan 8.240 nan 0.000 0.518 111 L N 0.964 122.192 121.223 0.008 0.000 2.013 111 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 111 L C 2.130 178.989 176.870 -0.018 0.000 1.073 111 L CA 2.115 56.964 54.840 0.015 0.000 0.753 111 L CB -0.925 41.148 42.059 0.023 0.000 0.890 111 L HN 0.765 nan 8.230 nan 0.000 0.432 112 D N -1.153 119.227 120.400 -0.034 0.000 2.097 112 D HA -0.284 4.356 4.640 -0.000 0.000 0.195 112 D C 2.002 178.272 176.300 -0.050 0.000 0.989 112 D CA 1.517 55.484 54.000 -0.056 0.000 0.827 112 D CB -0.274 40.498 40.800 -0.046 0.000 0.966 112 D HN 0.555 nan 8.370 nan 0.000 0.456 113 Q N -0.128 119.651 119.800 -0.035 0.000 2.248 113 Q HA -0.164 4.176 4.340 -0.000 0.000 0.208 113 Q C 2.039 178.018 176.000 -0.036 0.000 0.984 113 Q CA 1.102 56.884 55.803 -0.035 0.000 0.875 113 Q CB 0.008 28.730 28.738 -0.027 0.000 0.910 113 Q HN 0.310 nan 8.270 nan 0.000 0.433 114 M N -1.056 118.527 119.600 -0.028 0.000 2.556 114 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 114 M C 1.763 178.036 176.300 -0.046 0.000 1.163 114 M CA 0.706 55.989 55.300 -0.028 0.000 1.186 114 M CB 0.154 32.754 32.600 -0.000 0.000 1.321 114 M HN -0.002 nan 8.290 nan 0.000 0.485 115 R N 0.567 121.034 120.500 -0.054 0.000 2.105 115 R HA -0.142 4.197 4.340 -0.000 0.000 0.239 115 R C 2.425 178.674 176.300 -0.084 0.000 1.135 115 R CA 2.011 58.047 56.100 -0.107 0.000 0.967 115 R CB -0.432 29.726 30.300 -0.237 0.000 0.861 115 R HN 0.606 nan 8.270 nan 0.000 0.442 116 S N 0.465 116.129 115.700 -0.060 0.000 2.357 116 S HA -0.095 4.375 4.470 -0.000 0.000 0.221 116 S C 1.944 176.555 174.600 0.019 0.000 1.031 116 S CA 0.459 58.645 58.200 -0.023 0.000 0.982 116 S CB -0.221 62.962 63.200 -0.028 0.000 0.853 116 S HN 0.251 nan 8.310 nan 0.000 0.458 117 R N 1.010 121.505 120.500 -0.009 0.000 2.103 117 R HA 0.005 4.345 4.340 -0.000 0.000 0.242 117 R C 2.404 178.736 176.300 0.054 0.000 1.142 117 R CA 1.668 57.777 56.100 0.014 0.000 0.960 117 R CB -0.852 29.430 30.300 -0.029 0.000 0.858 117 R HN 0.449 nan 8.270 nan 0.000 0.439 118 L N -0.002 121.211 121.223 -0.017 0.000 2.017 118 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 118 L C 2.760 179.640 176.870 0.017 0.000 1.073 118 L CA 1.308 56.119 54.840 -0.048 0.000 0.745 118 L CB -0.721 41.252 42.059 -0.142 0.000 0.894 118 L HN 0.246 nan 8.230 nan 0.000 0.432 119 A N -0.435 122.404 122.820 0.031 0.000 1.865 119 A HA -0.320 4.000 4.320 -0.000 0.000 0.217 119 A C 2.213 179.833 177.584 0.060 0.000 1.191 119 A CA 1.893 53.954 52.037 0.040 0.000 0.623 119 A CB -1.120 17.897 19.000 0.027 0.000 0.826 119 A HN 0.481 nan 8.150 nan 0.000 0.444 120 Y N 0.981 121.266 120.300 -0.026 0.000 2.207 120 Y HA -0.212 4.338 4.550 -0.000 0.000 0.287 120 Y C 1.592 177.484 175.900 -0.014 0.000 1.156 120 Y CA 2.067 60.155 58.100 -0.019 0.000 1.182 120 Y CB -0.026 38.422 38.460 -0.021 0.000 0.979 120 Y HN 0.369 nan 8.280 nan 0.000 0.521 121 D N -0.852 119.617 120.400 0.115 0.000 2.347 121 D HA 0.043 4.683 4.640 -0.000 0.000 0.215 121 D C 1.710 177.999 176.300 -0.018 0.000 0.976 121 D CA 1.357 55.386 54.000 0.047 0.000 0.884 121 D CB -0.054 40.787 40.800 0.069 0.000 0.915 121 D HN 0.544 nan 8.370 nan 0.000 0.526 122 G N 0.387 109.172 108.800 -0.025 0.000 2.144 122 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.218 122 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.218 122 G C -0.086 174.819 174.900 0.008 0.000 0.988 122 G CA -0.360 44.725 45.100 -0.024 0.000 0.659 122 G HN 0.157 nan 8.290 nan 0.000 0.522 123 L N 1.417 122.654 121.223 0.024 0.000 2.326 123 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 123 L C 0.668 177.584 176.870 0.076 0.000 1.092 123 L CA -0.914 53.956 54.840 0.049 0.000 0.810 123 L CB 1.206 43.291 42.059 0.044 0.000 1.153 123 L HN 0.267 nan 8.230 nan 0.000 0.439 124 N N 1.645 120.397 118.700 0.087 0.000 2.442 124 N HA -0.115 4.625 4.740 -0.000 0.000 0.265 124 N C 0.866 176.474 175.510 0.162 0.000 1.138 124 N CA 0.107 53.221 53.050 0.107 0.000 0.956 124 N CB 0.428 38.961 38.487 0.077 0.000 1.067 124 N HN 0.570 nan 8.380 nan 0.000 0.474 125 Y N 5.613 125.944 120.300 0.052 0.000 2.151 125 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 125 Y C 1.653 177.630 175.900 0.129 0.000 1.166 125 Y CA 1.924 60.071 58.100 0.079 0.000 1.163 125 Y CB -0.046 38.442 38.460 0.046 0.000 0.974 125 Y HN 0.620 nan 8.280 nan 0.000 0.511 126 N N -0.902 117.826 118.700 0.048 0.000 2.106 126 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 126 N C 1.762 177.242 175.510 -0.051 0.000 1.029 126 N CA 2.013 55.036 53.050 -0.045 0.000 0.848 126 N CB -0.870 37.636 38.487 0.031 0.000 1.007 126 N HN 0.356 nan 8.380 nan 0.000 0.423 127 T N 0.810 115.371 114.554 0.011 0.000 2.737 127 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 127 T C 1.721 176.420 174.700 -0.002 0.000 1.040 127 T CA 1.141 63.248 62.100 0.011 0.000 1.142 127 T CB -0.446 68.448 68.868 0.044 0.000 0.861 127 T HN 0.287 nan 8.240 nan 0.000 0.456 128 Y N 2.026 122.257 120.300 -0.114 0.000 2.109 128 Y HA -0.102 4.448 4.550 -0.000 0.000 0.285 128 Y C 2.569 178.357 175.900 -0.187 0.000 1.131 128 Y CA 1.230 59.251 58.100 -0.132 0.000 1.121 128 Y CB -0.264 38.114 38.460 -0.136 0.000 0.987 128 Y HN -0.010 nan 8.280 nan 0.000 0.495 129 R N 0.145 120.494 120.500 -0.252 0.000 2.113 129 R HA -0.263 4.077 4.340 -0.000 0.000 0.244 129 R C 2.238 178.401 176.300 -0.227 0.000 1.142 129 R CA 1.604 57.529 56.100 -0.291 0.000 0.953 129 R CB -0.737 29.380 30.300 -0.305 0.000 0.860 129 R HN 0.437 nan 8.270 nan 0.000 0.438 130 N N 0.333 118.932 118.700 -0.168 0.000 2.205 130 N HA -0.185 4.554 4.740 -0.000 0.000 0.186 130 N C 1.597 177.023 175.510 -0.140 0.000 1.015 130 N CA 1.222 54.201 53.050 -0.119 0.000 0.862 130 N CB 0.176 38.617 38.487 -0.076 0.000 0.986 130 N HN 0.294 nan 8.380 nan 0.000 0.429 131 Q N 0.478 120.155 119.800 -0.204 0.000 2.083 131 Q HA 0.006 4.346 4.340 -0.000 0.000 0.198 131 Q C 2.125 177.981 176.000 -0.239 0.000 0.969 131 Q CA 0.501 56.176 55.803 -0.213 0.000 0.838 131 Q CB -0.176 28.402 28.738 -0.266 0.000 0.900 131 Q HN 0.425 nan 8.270 nan 0.000 0.436 132 I N 0.419 120.782 120.570 -0.345 0.000 2.361 132 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 132 I C 2.381 178.409 176.117 -0.147 0.000 1.133 132 I CA 0.976 62.115 61.300 -0.267 0.000 1.413 132 I CB -0.751 37.068 38.000 -0.303 0.000 1.073 132 I HN 0.196 nan 8.210 nan 0.000 0.424 133 R N 1.507 121.928 120.500 -0.132 0.000 2.061 133 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 133 R C 2.324 178.588 176.300 -0.059 0.000 1.140 133 R CA 1.394 57.447 56.100 -0.078 0.000 0.940 133 R CB -0.052 30.207 30.300 -0.068 0.000 0.839 133 R HN 0.169 nan 8.270 nan 0.000 0.429 134 K N 0.062 120.423 120.400 -0.065 0.000 2.113 134 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 134 K C 2.027 178.607 176.600 -0.033 0.000 1.047 134 K CA 1.553 57.814 56.287 -0.043 0.000 0.928 134 K CB -0.063 32.408 32.500 -0.048 0.000 0.716 134 K HN 0.193 nan 8.250 nan 0.000 0.446 135 E N 0.556 120.726 120.200 -0.051 0.000 2.077 135 E HA -0.137 4.212 4.350 -0.000 0.000 0.193 135 E C 1.973 178.565 176.600 -0.014 0.000 0.989 135 E CA 1.211 57.591 56.400 -0.033 0.000 0.800 135 E CB -0.095 29.575 29.700 -0.051 0.000 0.746 135 E HN 0.349 nan 8.360 nan 0.000 0.452 136 M N 0.155 119.741 119.600 -0.024 0.000 2.067 136 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 136 M C 2.535 178.836 176.300 0.002 0.000 1.069 136 M CA 1.254 56.547 55.300 -0.011 0.000 1.117 136 M CB -0.402 32.186 32.600 -0.020 0.000 1.334 136 M HN 0.124 nan 8.290 nan 0.000 0.407 137 I N 0.381 120.951 120.570 0.001 0.000 2.264 137 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 137 I C 2.093 178.230 176.117 0.033 0.000 1.111 137 I CA 1.606 62.914 61.300 0.013 0.000 1.382 137 I CB -0.107 37.899 38.000 0.010 0.000 1.060 137 I HN 0.243 nan 8.210 nan 0.000 0.418 138 I N 0.475 121.066 120.570 0.036 0.000 2.179 138 I HA -0.291 3.878 4.170 -0.000 0.000 0.242 138 I C 2.814 178.978 176.117 0.078 0.000 1.088 138 I CA 1.637 62.976 61.300 0.065 0.000 1.357 138 I CB -0.493 37.540 38.000 0.055 0.000 1.051 138 I HN 0.328 nan 8.210 nan 0.000 0.409 139 S N 0.203 115.936 115.700 0.056 0.000 2.370 139 S HA -0.276 4.193 4.470 -0.000 0.000 0.226 139 S C 1.962 176.593 174.600 0.052 0.000 1.033 139 S CA 2.039 60.275 58.200 0.060 0.000 1.011 139 S CB -0.208 63.014 63.200 0.036 0.000 0.852 139 S HN 0.489 nan 8.310 nan 0.000 0.457 140 E N 0.029 120.248 120.200 0.032 0.000 2.015 140 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 140 E C 1.997 178.605 176.600 0.013 0.000 0.991 140 E CA 1.618 58.028 56.400 0.017 0.000 0.802 140 E CB -0.258 29.448 29.700 0.010 0.000 0.759 140 E HN 0.362 nan 8.360 nan 0.000 0.447 141 V N 1.568 121.501 119.914 0.032 0.000 2.282 141 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 141 V C 2.693 178.758 176.094 -0.049 0.000 1.057 141 V CA 2.390 64.708 62.300 0.030 0.000 1.032 141 V CB -0.786 31.103 31.823 0.109 0.000 0.645 141 V HN 0.332 nan 8.190 nan 0.000 0.447 142 R N 0.291 120.801 120.500 0.017 0.000 2.080 142 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 142 R C 2.232 178.436 176.300 -0.159 0.000 1.137 142 R CA 2.337 58.381 56.100 -0.094 0.000 0.943 142 R CB -0.418 29.978 30.300 0.160 0.000 0.846 142 R HN 0.722 nan 8.270 nan 0.000 0.431 143 N N 0.453 119.182 118.700 0.049 0.000 2.025 143 N HA -0.236 4.504 4.740 -0.000 0.000 0.194 143 N C 1.743 177.266 175.510 0.023 0.000 1.044 143 N CA 1.295 54.442 53.050 0.161 0.000 0.851 143 N CB -0.429 38.097 38.487 0.066 0.000 1.036 143 N HN 0.320 nan 8.380 nan 0.000 0.422 144 N N 1.463 120.130 118.700 -0.054 0.000 2.037 144 N HA -0.224 4.516 4.740 -0.000 0.000 0.196 144 N C 1.319 176.730 175.510 -0.165 0.000 1.034 144 N CA 1.520 54.522 53.050 -0.081 0.000 0.861 144 N CB -0.066 38.384 38.487 -0.061 0.000 1.039 144 N HN 0.224 nan 8.380 nan 0.000 0.427 145 E N 0.555 120.561 120.200 -0.324 0.000 2.058 145 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 145 E C 2.251 178.512 176.600 -0.565 0.000 0.997 145 E CA 0.692 56.786 56.400 -0.509 0.000 0.801 145 E CB -0.617 28.505 29.700 -0.963 0.000 0.746 145 E HN 0.276 nan 8.360 nan 0.000 0.450 146 V N 1.653 121.195 119.914 -0.619 0.000 2.407 146 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 146 V C 2.607 178.604 176.094 -0.161 0.000 1.055 146 V CA 1.951 63.984 62.300 -0.445 0.000 1.049 146 V CB -0.586 30.907 31.823 -0.551 0.000 0.662 146 V HN 0.217 nan 8.190 nan 0.000 0.455 147 R N 0.557 121.027 120.500 -0.049 0.000 2.082 147 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 147 R C 2.137 178.414 176.300 -0.039 0.000 1.136 147 R CA 1.436 57.541 56.100 0.008 0.000 0.935 147 R CB -0.256 30.046 30.300 0.004 0.000 0.842 147 R HN 0.269 nan 8.270 nan 0.000 0.430 148 R N 0.742 121.197 120.500 -0.074 0.000 2.400 148 R HA -0.061 4.279 4.340 -0.000 0.000 0.207 148 R C 0.990 177.255 176.300 -0.060 0.000 1.192 148 R CA 0.707 56.772 56.100 -0.059 0.000 1.181 148 R CB -0.076 30.186 30.300 -0.062 0.000 0.947 148 R HN 0.405 nan 8.270 nan 0.000 0.479 149 R N -1.214 119.245 120.500 -0.068 0.000 2.725 149 R HA 0.128 4.468 4.340 -0.000 0.000 0.207 149 R C 0.344 176.629 176.300 -0.026 0.000 0.924 149 R CA -0.522 55.548 56.100 -0.049 0.000 1.098 149 R CB 0.167 30.418 30.300 -0.080 0.000 1.602 149 R HN -0.001 nan 8.270 nan 0.000 0.615 150 I N 2.241 122.797 120.570 -0.023 0.000 2.932 150 I HA -0.061 4.109 4.170 -0.000 0.000 0.295 150 I C -0.061 176.062 176.117 0.011 0.000 1.227 150 I CA 1.283 62.586 61.300 0.005 0.000 1.429 150 I CB 0.972 38.998 38.000 0.044 0.000 1.339 150 I HN -0.052 nan 8.210 nan 0.000 0.589 151 T N 7.739 122.303 114.554 0.015 0.000 2.841 151 T HA 0.591 4.941 4.350 -0.000 0.000 0.285 151 T C -0.557 174.155 174.700 0.019 0.000 0.991 151 T CA -0.675 61.434 62.100 0.015 0.000 0.966 151 T CB 0.273 69.148 68.868 0.012 0.000 0.962 151 T HN 0.404 nan 8.240 nan 0.000 0.438 152 I N 6.089 126.670 120.570 0.018 0.000 2.306 152 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 152 I C 0.302 176.429 176.117 0.017 0.000 1.036 152 I CA -0.753 60.560 61.300 0.021 0.000 1.221 152 I CB 1.084 39.098 38.000 0.022 0.000 1.385 152 I HN 0.460 nan 8.210 nan 0.000 0.472 153 L N 7.798 129.031 121.223 0.017 0.000 2.461 153 L HA 0.194 4.534 4.340 -0.000 0.000 0.272 153 L C -1.989 174.889 176.870 0.013 0.000 1.197 153 L CA -1.559 53.289 54.840 0.013 0.000 0.836 153 L CB -0.026 42.039 42.059 0.011 0.000 1.105 153 L HN 0.259 nan 8.230 nan 0.000 0.477 154 P HA -0.041 nan 4.420 nan 0.000 0.261 154 P C -0.350 176.957 177.300 0.012 0.000 1.183 154 P CA 0.312 63.418 63.100 0.010 0.000 0.761 154 P CB 0.423 32.127 31.700 0.007 0.000 0.785 155 Q N 0.608 120.417 119.800 0.014 0.000 2.374 155 Q HA -0.266 4.074 4.340 -0.000 0.000 0.218 155 Q C 1.172 177.186 176.000 0.024 0.000 0.691 155 Q CA 1.442 57.255 55.803 0.018 0.000 1.340 155 Q CB -2.007 26.739 28.738 0.013 0.000 1.498 155 Q HN 0.667 nan 8.270 nan 0.000 0.739 156 E N 0.273 120.488 120.200 0.025 0.000 2.017 156 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 156 E C 1.753 178.379 176.600 0.045 0.000 0.997 156 E CA 1.648 58.065 56.400 0.028 0.000 0.804 156 E CB 0.105 29.822 29.700 0.027 0.000 0.757 156 E HN 0.256 nan 8.360 nan 0.000 0.448 157 V N 1.285 121.235 119.914 0.061 0.000 2.255 157 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 157 V C 2.009 178.176 176.094 0.122 0.000 1.051 157 V CA 2.337 64.702 62.300 0.108 0.000 1.018 157 V CB -0.518 31.369 31.823 0.107 0.000 0.641 157 V HN 0.311 nan 8.190 nan 0.000 0.445 158 E N -0.443 119.805 120.200 0.082 0.000 2.204 158 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 158 E C 2.343 178.979 176.600 0.059 0.000 0.990 158 E CA 1.342 57.787 56.400 0.075 0.000 0.821 158 E CB -0.231 29.495 29.700 0.043 0.000 0.750 158 E HN 0.491 nan 8.360 nan 0.000 0.477 159 S N 0.533 116.259 115.700 0.043 0.000 2.357 159 S HA -0.059 4.410 4.470 -0.000 0.000 0.221 159 S C 1.909 176.519 174.600 0.016 0.000 1.031 159 S CA 0.677 58.892 58.200 0.024 0.000 0.982 159 S CB -0.162 63.047 63.200 0.016 0.000 0.853 159 S HN 0.356 nan 8.310 nan 0.000 0.458 160 L N 1.344 122.577 121.223 0.016 0.000 2.042 160 L HA -0.044 4.296 4.340 -0.000 0.000 0.210 160 L C 2.434 179.276 176.870 -0.047 0.000 1.076 160 L CA 1.811 56.639 54.840 -0.020 0.000 0.749 160 L CB -0.735 41.308 42.059 -0.026 0.000 0.893 160 L HN 0.366 nan 8.230 nan 0.000 0.432 161 A N -0.559 122.271 122.820 0.016 0.000 1.908 161 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 161 A C 2.271 179.867 177.584 0.020 0.000 1.181 161 A CA 2.083 54.146 52.037 0.044 0.000 0.627 161 A CB -0.742 18.424 19.000 0.277 0.000 0.818 161 A HN 0.692 nan 8.150 nan 0.000 0.445 162 Q N -0.332 119.484 119.800 0.026 0.000 2.224 162 Q HA -0.128 4.211 4.340 -0.000 0.000 0.203 162 Q C 1.287 177.284 176.000 -0.005 0.000 0.970 162 Q CA 1.062 56.873 55.803 0.014 0.000 0.865 162 Q CB -0.028 28.719 28.738 0.016 0.000 0.922 162 Q HN 0.936 nan 8.270 nan 0.000 0.445 173 E N 2.619 122.866 120.200 0.078 0.000 2.467 173 E HA 0.378 4.728 4.350 -0.000 0.000 0.264 173 E C -0.818 175.949 176.600 0.278 0.000 1.020 173 E CA 0.033 56.522 56.400 0.148 0.000 0.945 173 E CB 0.600 30.360 29.700 0.099 0.000 0.942 173 E HN 0.509 nan 8.360 nan 0.000 0.449 174 L N 3.465 124.868 121.223 0.300 0.000 2.409 174 L HA 0.376 4.716 4.340 -0.000 0.000 0.262 174 L C -1.160 175.712 176.870 0.003 0.000 0.992 174 L CA -0.862 54.098 54.840 0.200 0.000 0.817 174 L CB 2.138 44.227 42.059 0.049 0.000 1.350 174 L HN 0.575 nan 8.230 nan 0.000 0.411 175 N N 3.188 121.602 118.700 -0.477 0.000 2.407 175 N HA 0.729 5.469 4.740 -0.000 0.000 0.277 175 N C -1.815 173.393 175.510 -0.504 0.000 0.995 175 N CA -0.395 52.127 53.050 -0.880 0.000 0.903 175 N CB 1.090 38.303 38.487 -2.124 0.000 1.218 175 N HN 0.349 nan 8.380 nan 0.000 0.487 176 L N 0.427 121.449 121.223 -0.335 0.000 2.465 176 L HA 0.665 5.005 4.340 -0.000 0.000 0.257 176 L C -0.292 176.507 176.870 -0.118 0.000 0.988 176 L CA -0.951 53.754 54.840 -0.226 0.000 0.827 176 L CB 1.221 43.169 42.059 -0.186 0.000 1.397 176 L HN 0.248 nan 8.230 nan 0.000 0.410 177 S N -0.872 114.805 115.700 -0.040 0.000 2.608 177 S HA 0.690 5.160 4.470 -0.000 0.000 0.291 177 S C -1.206 173.613 174.600 0.366 0.000 1.146 177 S CA -0.269 58.038 58.200 0.178 0.000 1.043 177 S CB 0.737 64.138 63.200 0.336 0.000 1.037 177 S HN 0.822 nan 8.310 nan 0.000 0.520 178 H N 1.000 120.203 119.070 0.222 0.000 2.600 178 H HA 0.649 5.205 4.556 -0.000 0.000 0.357 178 H C -1.307 174.089 175.328 0.113 0.000 1.106 178 H CA -0.610 55.541 56.048 0.172 0.000 1.193 178 H CB 0.578 30.370 29.762 0.050 0.000 1.594 178 H HN 0.480 nan 8.280 nan 0.000 0.526 179 I N 5.670 126.042 120.570 -0.330 0.000 2.447 179 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 179 I C -1.277 174.578 176.117 -0.437 0.000 1.023 179 I CA -1.033 60.038 61.300 -0.381 0.000 1.083 179 I CB 1.886 39.689 38.000 -0.327 0.000 1.245 179 I HN 0.395 nan 8.210 nan 0.000 0.434 180 L N 8.232 129.238 121.223 -0.361 0.000 2.313 180 L HA 0.564 4.904 4.340 -0.000 0.000 0.283 180 L C -0.947 175.862 176.870 -0.103 0.000 1.013 180 L CA -0.243 54.459 54.840 -0.230 0.000 0.816 180 L CB 1.165 43.135 42.059 -0.148 0.000 1.236 180 L HN 0.311 nan 8.230 nan 0.000 0.419 181 I N 7.775 128.313 120.570 -0.053 0.000 2.306 181 I HA 0.337 4.507 4.170 -0.000 0.000 0.288 181 I C -2.068 174.060 176.117 0.018 0.000 1.036 181 I CA -2.324 58.985 61.300 0.015 0.000 1.221 181 I CB 0.768 38.809 38.000 0.068 0.000 1.385 181 I HN 0.488 nan 8.210 nan 0.000 0.472 182 P HA 0.183 nan 4.420 nan 0.000 0.268 182 P C -0.871 176.438 177.300 0.015 0.000 1.208 182 P CA -0.276 62.821 63.100 -0.006 0.000 0.777 182 P CB 1.807 33.507 31.700 -0.000 0.000 0.875 183 L N 3.959 125.176 121.223 -0.009 0.000 2.565 183 L HA 0.491 4.830 4.340 -0.000 0.000 0.261 183 L C -2.687 174.173 176.870 -0.018 0.000 0.932 183 L CA -2.234 52.604 54.840 -0.003 0.000 0.878 183 L CB 2.048 44.093 42.059 -0.023 0.000 1.333 183 L HN 0.213 nan 8.230 nan 0.000 0.409 184 P HA 0.125 nan 4.420 nan 0.000 0.271 184 P C -0.042 177.249 177.300 -0.015 0.000 1.238 184 P CA -0.069 63.025 63.100 -0.010 0.000 0.794 184 P CB 0.564 32.261 31.700 -0.005 0.000 0.959 185 E N -0.137 120.057 120.200 -0.010 0.000 2.031 185 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 185 E C 0.150 176.743 176.600 -0.011 0.000 0.994 185 E CA 1.660 58.054 56.400 -0.009 0.000 0.800 185 E CB -0.723 28.977 29.700 0.000 0.000 0.752 185 E HN 0.350 nan 8.360 nan 0.000 0.447 186 N N 2.094 120.790 118.700 -0.006 0.000 2.800 186 N HA 0.238 4.978 4.740 -0.000 0.000 0.240 186 N C -2.498 173.011 175.510 -0.002 0.000 1.096 186 N CA -0.980 52.068 53.050 -0.005 0.000 0.877 186 N CB 1.556 40.042 38.487 -0.002 0.000 1.138 186 N HN 0.174 nan 8.380 nan 0.000 0.509 187 P HA 0.343 nan 4.420 nan 0.000 0.284 187 P C -0.147 177.160 177.300 0.012 0.000 1.287 187 P CA -0.165 62.939 63.100 0.007 0.000 0.824 187 P CB 1.282 32.988 31.700 0.010 0.000 1.180 188 T N -0.266 114.298 114.554 0.017 0.000 2.944 188 T HA 0.183 4.533 4.350 -0.000 0.000 0.284 188 T C 1.626 176.341 174.700 0.026 0.000 1.010 188 T CA -0.196 61.914 62.100 0.017 0.000 1.025 188 T CB 0.674 69.549 68.868 0.013 0.000 1.079 188 T HN 0.250 nan 8.240 nan 0.000 0.516 189 S N 1.362 117.075 115.700 0.023 0.000 2.365 189 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 189 S C 1.652 176.269 174.600 0.028 0.000 1.039 189 S CA 1.600 59.817 58.200 0.028 0.000 1.033 189 S CB -0.396 62.816 63.200 0.020 0.000 0.887 189 S HN 0.690 nan 8.310 nan 0.000 0.447 190 D N 1.380 121.791 120.400 0.019 0.000 2.106 190 D HA -0.151 4.489 4.640 -0.000 0.000 0.191 190 D C 2.242 178.555 176.300 0.021 0.000 0.997 190 D CA 1.323 55.332 54.000 0.014 0.000 0.834 190 D CB -0.511 40.294 40.800 0.009 0.000 0.956 190 D HN 0.503 nan 8.370 nan 0.000 0.448 191 Q N 0.074 119.891 119.800 0.028 0.000 2.061 191 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 191 Q C 2.413 178.457 176.000 0.072 0.000 0.984 191 Q CA 1.005 56.831 55.803 0.039 0.000 0.846 191 Q CB -0.181 28.577 28.738 0.034 0.000 0.902 191 Q HN 0.166 nan 8.270 nan 0.000 0.421 192 V N 1.933 121.901 119.914 0.091 0.000 2.343 192 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 192 V C 1.789 177.967 176.094 0.139 0.000 1.051 192 V CA 1.796 64.200 62.300 0.173 0.000 1.036 192 V CB -0.553 31.362 31.823 0.153 0.000 0.654 192 V HN 0.402 nan 8.190 nan 0.000 0.451 193 N N -0.072 118.661 118.700 0.055 0.000 2.106 193 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 193 N C 1.896 177.381 175.510 -0.041 0.000 1.029 193 N CA 1.503 54.550 53.050 -0.005 0.000 0.848 193 N CB -0.369 38.114 38.487 -0.006 0.000 1.007 193 N HN 0.644 nan 8.380 nan 0.000 0.423 194 E N 1.015 121.206 120.200 -0.015 0.000 2.049 194 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 194 E C 1.789 178.360 176.600 -0.049 0.000 1.007 194 E CA 1.446 57.829 56.400 -0.029 0.000 0.809 194 E CB -0.046 29.650 29.700 -0.007 0.000 0.749 194 E HN 0.301 nan 8.360 nan 0.000 0.450 195 A N 1.104 123.924 122.820 -0.001 0.000 1.865 195 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 195 A C 2.114 179.535 177.584 -0.272 0.000 1.191 195 A CA 1.829 53.874 52.037 0.014 0.000 0.623 195 A CB -0.759 18.406 19.000 0.275 0.000 0.826 195 A HN 0.459 nan 8.150 nan 0.000 0.444 196 E N -0.500 119.390 120.200 -0.516 0.000 2.058 196 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 196 E C 2.312 178.642 176.600 -0.450 0.000 0.997 196 E CA 1.349 57.198 56.400 -0.919 0.000 0.801 196 E CB -0.172 29.134 29.700 -0.657 0.000 0.746 196 E HN 0.590 nan 8.360 nan 0.000 0.450 197 S N 0.314 115.860 115.700 -0.257 0.000 2.359 197 S HA -0.319 4.150 4.470 -0.000 0.000 0.222 197 S C 2.072 176.570 174.600 -0.171 0.000 1.038 197 S CA 2.122 60.219 58.200 -0.171 0.000 1.051 197 S CB -0.369 62.763 63.200 -0.113 0.000 0.944 197 S HN 0.303 nan 8.310 nan 0.000 0.433 198 Q N 1.135 120.836 119.800 -0.164 0.000 2.077 198 Q HA -0.024 4.316 4.340 -0.000 0.000 0.206 198 Q C 2.071 177.961 176.000 -0.184 0.000 0.989 198 Q CA 2.346 58.053 55.803 -0.161 0.000 0.853 198 Q CB -0.985 27.678 28.738 -0.125 0.000 0.907 198 Q HN 0.603 nan 8.270 nan 0.000 0.418 199 A N 0.544 123.241 122.820 -0.205 0.000 1.877 199 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 199 A C 2.098 179.597 177.584 -0.141 0.000 1.186 199 A CA 1.536 53.471 52.037 -0.170 0.000 0.620 199 A CB -0.536 18.333 19.000 -0.219 0.000 0.822 199 A HN 0.327 nan 8.150 nan 0.000 0.443 200 R N -0.265 120.130 120.500 -0.175 0.000 2.094 200 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 200 R C 2.470 178.717 176.300 -0.088 0.000 1.137 200 R CA 1.602 57.632 56.100 -0.116 0.000 0.943 200 R CB -1.419 28.806 30.300 -0.125 0.000 0.850 200 R HN 0.534 nan 8.270 nan 0.000 0.433 201 A N 1.225 123.980 122.820 -0.107 0.000 1.917 201 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 201 A C 2.388 179.917 177.584 -0.092 0.000 1.182 201 A CA 1.577 53.557 52.037 -0.096 0.000 0.633 201 A CB -0.609 18.321 19.000 -0.117 0.000 0.819 201 A HN 0.250 nan 8.150 nan 0.000 0.448 202 I N -0.714 119.784 120.570 -0.120 0.000 2.252 202 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 202 I C 2.292 178.403 176.117 -0.010 0.000 1.102 202 I CA 1.030 62.267 61.300 -0.105 0.000 1.385 202 I CB -0.255 37.651 38.000 -0.158 0.000 1.064 202 I HN 0.152 nan 8.210 nan 0.000 0.414 203 V N 0.852 120.772 119.914 0.009 0.000 2.568 203 V HA -0.325 3.795 4.120 -0.000 0.000 0.253 203 V C 2.028 178.147 176.094 0.042 0.000 1.072 203 V CA 2.202 64.539 62.300 0.061 0.000 1.084 203 V CB -0.679 31.174 31.823 0.050 0.000 0.676 203 V HN 0.490 nan 8.190 nan 0.000 0.469 204 D N -0.085 120.320 120.400 0.008 0.000 2.081 204 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 204 D C 2.242 178.553 176.300 0.018 0.000 0.986 204 D CA 1.662 55.665 54.000 0.005 0.000 0.837 204 D CB -0.171 40.620 40.800 -0.015 0.000 0.985 204 D HN 0.471 nan 8.370 nan 0.000 0.448 205 Q N -0.075 119.731 119.800 0.011 0.000 2.217 205 Q HA -0.214 4.126 4.340 -0.000 0.000 0.209 205 Q C 2.172 178.206 176.000 0.058 0.000 0.988 205 Q CA 1.545 57.362 55.803 0.023 0.000 0.878 205 Q CB -0.286 28.457 28.738 0.009 0.000 0.909 205 Q HN 0.377 nan 8.270 nan 0.000 0.424 206 A N 1.226 124.101 122.820 0.091 0.000 1.877 206 A HA -0.198 4.121 4.320 -0.000 0.000 0.216 206 A C 1.986 179.622 177.584 0.087 0.000 1.186 206 A CA 1.503 53.638 52.037 0.163 0.000 0.620 206 A CB -0.334 18.821 19.000 0.258 0.000 0.822 206 A HN 0.222 nan 8.150 nan 0.000 0.443 207 R N -0.692 119.841 120.500 0.054 0.000 2.193 207 R HA 0.007 4.347 4.340 -0.000 0.000 0.213 207 R C 0.608 176.921 176.300 0.021 0.000 1.055 207 R CA 1.002 57.117 56.100 0.026 0.000 0.995 207 R CB -0.192 30.119 30.300 0.019 0.000 0.893 207 R HN 0.462 nan 8.270 nan 0.000 0.459 208 N N -0.255 118.459 118.700 0.025 0.000 2.421 208 N HA 0.068 4.808 4.740 -0.000 0.000 0.201 208 N C 0.449 175.972 175.510 0.023 0.000 1.198 208 N CA 0.736 53.797 53.050 0.019 0.000 0.838 208 N CB 0.982 39.477 38.487 0.015 0.000 1.011 208 N HN 0.339 nan 8.380 nan 0.000 0.463 209 G N -0.924 107.893 108.800 0.029 0.000 2.179 209 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.260 209 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.260 209 G C 0.411 175.338 174.900 0.046 0.000 0.977 209 G CA 0.140 45.258 45.100 0.031 0.000 0.641 209 G HN 0.613 nan 8.290 nan 0.000 0.533 210 A N 0.148 123.002 122.820 0.057 0.000 2.507 210 A HA 0.405 4.725 4.320 -0.000 0.000 0.235 210 A C 0.672 178.313 177.584 0.094 0.000 1.070 210 A CA 0.716 52.791 52.037 0.063 0.000 0.768 210 A CB 0.225 19.260 19.000 0.060 0.000 1.011 210 A HN 0.514 nan 8.150 nan 0.000 0.502 211 D N 1.313 121.761 120.400 0.079 0.000 2.363 211 D HA 0.002 4.642 4.640 -0.000 0.000 0.263 211 D C 0.656 177.041 176.300 0.141 0.000 1.258 211 D CA 0.103 54.161 54.000 0.097 0.000 0.907 211 D CB -0.008 40.828 40.800 0.060 0.000 1.107 211 D HN 0.447 nan 8.370 nan 0.000 0.495 212 F N 3.613 123.567 119.950 0.006 0.000 2.134 212 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 212 F C 2.233 178.039 175.800 0.009 0.000 1.097 212 F CA 1.878 59.882 58.000 0.007 0.000 1.264 212 F CB -0.144 38.855 39.000 -0.002 0.000 1.001 212 F HN 0.497 nan 8.300 nan 0.000 0.479 213 G N -0.214 108.694 108.800 0.180 0.000 2.432 213 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 213 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 213 G C 1.760 176.651 174.900 -0.014 0.000 1.135 213 G CA 0.867 46.007 45.100 0.067 0.000 0.767 213 G HN 0.345 nan 8.290 nan 0.000 0.550 214 K N -0.016 120.384 120.400 -0.001 0.000 2.025 214 K HA 0.070 4.390 4.320 -0.000 0.000 0.207 214 K C 2.532 179.100 176.600 -0.053 0.000 1.049 214 K CA 0.740 57.016 56.287 -0.018 0.000 0.933 214 K CB -0.280 32.223 32.500 0.006 0.000 0.714 214 K HN 0.317 nan 8.250 nan 0.000 0.438 215 L N 0.562 121.745 121.223 -0.068 0.000 2.042 215 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 215 L C 2.656 179.455 176.870 -0.118 0.000 1.076 215 L CA 1.302 56.109 54.840 -0.055 0.000 0.749 215 L CB -0.652 41.324 42.059 -0.139 0.000 0.893 215 L HN 0.300 nan 8.230 nan 0.000 0.432 216 A N 0.546 123.214 122.820 -0.254 0.000 1.883 216 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 216 A C 2.187 179.695 177.584 -0.127 0.000 1.186 216 A CA 1.633 53.533 52.037 -0.228 0.000 0.624 216 A CB -0.682 18.185 19.000 -0.221 0.000 0.822 216 A HN 0.376 nan 8.150 nan 0.000 0.444 217 I N -0.434 120.074 120.570 -0.103 0.000 2.361 217 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 217 I C 2.810 178.849 176.117 -0.129 0.000 1.133 217 I CA 1.111 62.359 61.300 -0.087 0.000 1.413 217 I CB -0.335 37.627 38.000 -0.063 0.000 1.073 217 I HN 0.380 nan 8.210 nan 0.000 0.424 218 A N -0.100 122.605 122.820 -0.191 0.000 1.975 218 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 218 A C 1.656 178.852 177.584 -0.646 0.000 1.170 218 A CA 1.319 53.111 52.037 -0.410 0.000 0.656 218 A CB -0.484 18.217 19.000 -0.498 0.000 0.821 218 A HN 0.530 nan 8.150 nan 0.000 0.449 219 H N -2.165 116.859 119.070 -0.077 0.000 3.622 219 H HA 0.282 4.838 4.556 -0.000 0.000 0.259 219 H C 0.675 175.953 175.328 -0.083 0.000 1.145 219 H CA 0.247 56.254 56.048 -0.068 0.000 1.178 219 H CB 0.241 29.952 29.762 -0.084 0.000 1.542 219 H HN 0.310 nan 8.280 nan 0.000 0.586 220 S N 0.535 116.218 115.700 -0.027 0.000 2.572 220 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 220 S C 1.265 175.839 174.600 -0.043 0.000 1.341 220 S CA 0.268 58.424 58.200 -0.072 0.000 1.043 220 S CB 0.743 63.871 63.200 -0.121 0.000 0.887 220 S HN 0.480 nan 8.310 nan 0.000 0.516 221 A N 2.920 125.715 122.820 -0.041 0.000 2.431 221 A HA 0.249 4.568 4.320 -0.000 0.000 0.239 221 A C 0.405 177.989 177.584 0.000 0.000 1.230 221 A CA -0.135 51.891 52.037 -0.019 0.000 0.928 221 A CB -0.205 18.788 19.000 -0.011 0.000 1.006 221 A HN 0.881 nan 8.150 nan 0.000 0.520 222 D N -0.949 119.458 120.400 0.011 0.000 2.384 222 D HA 0.030 4.670 4.640 -0.000 0.000 0.244 222 D C 0.756 177.092 176.300 0.060 0.000 1.251 222 D CA -0.375 53.671 54.000 0.077 0.000 0.961 222 D CB 0.439 41.346 40.800 0.177 0.000 1.116 222 D HN 0.013 nan 8.370 nan 0.000 0.484 223 Q N -0.701 119.148 119.800 0.082 0.000 2.135 223 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 223 Q C 1.627 177.660 176.000 0.054 0.000 0.981 223 Q CA 1.362 57.204 55.803 0.066 0.000 0.856 223 Q CB -0.139 28.650 28.738 0.085 0.000 0.902 223 Q HN 0.562 nan 8.270 nan 0.000 0.425 224 Q N -0.541 119.302 119.800 0.071 0.000 2.482 224 Q HA 0.101 4.441 4.340 -0.000 0.000 0.209 224 Q C 1.774 177.794 176.000 0.034 0.000 0.961 224 Q CA 0.619 56.458 55.803 0.060 0.000 0.945 224 Q CB -0.216 28.573 28.738 0.085 0.000 1.012 224 Q HN 0.304 nan 8.270 nan 0.000 0.515 225 A N 1.459 124.288 122.820 0.015 0.000 1.859 225 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 225 A C 2.076 179.648 177.584 -0.021 0.000 1.209 225 A CA 1.433 53.458 52.037 -0.020 0.000 0.639 225 A CB -0.932 18.047 19.000 -0.035 0.000 0.835 225 A HN 0.398 nan 8.150 nan 0.000 0.450 226 L N -0.760 120.453 121.223 -0.017 0.000 2.263 226 L HA -0.176 4.163 4.340 -0.000 0.000 0.216 226 L C 1.400 178.267 176.870 -0.005 0.000 1.111 226 L CA 1.448 56.277 54.840 -0.017 0.000 0.773 226 L CB -0.623 41.427 42.059 -0.015 0.000 0.906 226 L HN 0.533 nan 8.230 nan 0.000 0.439 227 N N 0.026 118.730 118.700 0.007 0.000 2.714 227 N HA 0.176 4.916 4.740 -0.000 0.000 0.298 227 N C 0.982 176.505 175.510 0.021 0.000 1.298 227 N CA 0.622 53.682 53.050 0.016 0.000 1.007 227 N CB 0.237 38.739 38.487 0.025 0.000 1.318 227 N HN 0.215 nan 8.380 nan 0.000 0.516 228 G N -0.157 108.649 108.800 0.010 0.000 2.228 228 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.270 228 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.270 228 G C 0.871 175.790 174.900 0.031 0.000 0.976 228 G CA 0.220 45.332 45.100 0.019 0.000 0.636 228 G HN 1.362 nan 8.290 nan 0.000 0.542 229 G N -1.059 107.761 108.800 0.034 0.000 2.149 229 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 229 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 229 G C 0.084 175.050 174.900 0.111 0.000 1.018 229 G CA 0.899 46.037 45.100 0.063 0.000 0.728 229 G HN 1.191 nan 8.290 nan 0.000 0.508 230 Q N -0.784 119.059 119.800 0.072 0.000 2.296 230 Q HA 0.589 4.929 4.340 -0.000 0.000 0.262 230 Q C 1.545 177.563 176.000 0.029 0.000 0.981 230 Q CA 0.006 55.834 55.803 0.042 0.000 0.905 230 Q CB 0.769 29.518 28.738 0.019 0.000 1.186 230 Q HN 0.538 nan 8.270 nan 0.000 0.399 231 M N 1.016 120.614 119.600 -0.003 0.000 2.567 231 M HA 0.184 4.664 4.480 -0.000 0.000 0.261 231 M C 0.896 177.175 176.300 -0.035 0.000 1.180 231 M CA 0.683 55.971 55.300 -0.019 0.000 1.143 231 M CB 0.468 33.033 32.600 -0.057 0.000 1.319 231 M HN 0.945 nan 8.290 nan 0.000 0.490 232 G N 0.363 109.106 108.800 -0.095 0.000 2.512 232 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.210 232 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.210 232 G C -1.543 173.245 174.900 -0.187 0.000 1.295 232 G CA -0.830 44.200 45.100 -0.117 0.000 0.934 232 G HN 0.375 nan 8.290 nan 0.000 0.554 233 W N 0.523 121.819 121.300 -0.007 0.000 2.375 233 W HA 0.630 5.290 4.660 -0.000 0.000 0.336 233 W C 0.754 177.263 176.519 -0.018 0.000 1.160 233 W CA 0.822 58.159 57.345 -0.014 0.000 1.266 233 W CB 1.843 31.297 29.460 -0.010 0.000 1.195 233 W HN 1.352 nan 8.180 nan 0.000 0.599 234 G N 0.997 109.941 108.800 0.239 0.000 2.579 234 G HA2 0.399 4.359 3.960 -0.000 0.000 0.292 234 G HA3 0.399 4.359 3.960 -0.000 0.000 0.292 234 G C -1.552 173.404 174.900 0.094 0.000 1.484 234 G CA -1.422 43.752 45.100 0.123 0.000 0.813 234 G HN 0.365 nan 8.290 nan 0.000 0.515 235 R N 0.744 121.279 120.500 0.058 0.000 2.442 235 R HA 0.216 4.556 4.340 -0.000 0.000 0.291 235 R C 1.137 177.454 176.300 0.027 0.000 1.069 235 R CA -0.532 55.592 56.100 0.040 0.000 1.022 235 R CB 1.620 31.933 30.300 0.022 0.000 0.976 235 R HN 0.508 nan 8.270 nan 0.000 0.443 236 I N 2.531 123.118 120.570 0.029 0.000 2.530 236 I HA -0.315 3.855 4.170 -0.000 0.000 0.257 236 I C 1.595 177.723 176.117 0.018 0.000 1.179 236 I CA 1.609 62.922 61.300 0.022 0.000 1.440 236 I CB 0.159 38.174 38.000 0.026 0.000 1.087 236 I HN 0.639 nan 8.210 nan 0.000 0.440 237 Q N -0.142 119.665 119.800 0.012 0.000 2.311 237 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 237 Q C 1.379 177.380 176.000 0.001 0.000 0.954 237 Q CA 0.791 56.596 55.803 0.003 0.000 0.885 237 Q CB 0.069 28.802 28.738 -0.008 0.000 0.963 237 Q HN 0.541 nan 8.270 nan 0.000 0.471 238 E N 0.297 120.499 120.200 0.003 0.000 2.494 238 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 238 E C -0.198 176.406 176.600 0.006 0.000 1.074 238 E CA -0.003 56.398 56.400 0.002 0.000 0.867 238 E CB 0.293 29.996 29.700 0.004 0.000 0.924 238 E HN 0.277 nan 8.360 nan 0.000 0.502 239 L N 0.911 122.142 121.223 0.013 0.000 2.352 239 L HA 0.406 4.746 4.340 -0.000 0.000 0.269 239 L C -2.201 174.719 176.870 0.082 0.000 1.034 239 L CA -2.509 52.347 54.840 0.027 0.000 0.806 239 L CB 0.437 42.504 42.059 0.012 0.000 1.244 239 L HN -0.278 nan 8.230 nan 0.000 0.447 240 P HA -0.031 nan 4.420 nan 0.000 0.267 240 P C 0.617 177.974 177.300 0.095 0.000 1.201 240 P CA 0.186 63.362 63.100 0.126 0.000 0.775 240 P CB 0.613 32.421 31.700 0.180 0.000 0.854 241 G N 1.283 110.086 108.800 0.004 0.000 2.484 241 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 241 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 241 G C 1.309 176.161 174.900 -0.080 0.000 1.130 241 G CA 0.151 45.240 45.100 -0.017 0.000 0.784 241 G HN 0.441 nan 8.290 nan 0.000 0.543 242 I N -0.169 120.276 120.570 -0.209 0.000 2.657 242 I HA -0.015 4.154 4.170 -0.000 0.000 0.261 242 I C 1.639 177.446 176.117 -0.517 0.000 1.212 242 I CA 0.970 62.031 61.300 -0.399 0.000 1.453 242 I CB -0.077 37.580 38.000 -0.571 0.000 1.092 242 I HN 0.238 nan 8.210 nan 0.000 0.452 243 F N -1.534 118.393 119.950 -0.039 0.000 2.592 243 F HA 0.289 4.816 4.527 -0.000 0.000 0.280 243 F C 2.347 178.134 175.800 -0.021 0.000 1.083 243 F CA 0.518 58.500 58.000 -0.030 0.000 1.365 243 F CB -0.951 38.014 39.000 -0.059 0.000 1.100 243 F HN -0.109 nan 8.300 nan 0.000 0.633 244 A N 0.554 123.470 122.820 0.160 0.000 1.971 244 A HA -0.362 3.958 4.320 -0.000 0.000 0.222 244 A C 2.072 179.691 177.584 0.058 0.000 1.182 244 A CA 2.501 54.589 52.037 0.085 0.000 0.649 244 A CB -0.901 18.128 19.000 0.048 0.000 0.818 244 A HN 0.436 nan 8.150 nan 0.000 0.458 245 Q N 0.010 119.835 119.800 0.041 0.000 2.002 245 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 245 Q C 2.026 178.050 176.000 0.041 0.000 0.988 245 Q CA 2.811 58.630 55.803 0.027 0.000 0.843 245 Q CB -0.812 27.930 28.738 0.006 0.000 0.908 245 Q HN 0.547 nan 8.270 nan 0.000 0.420 246 A N -0.067 122.791 122.820 0.063 0.000 2.066 246 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 246 A C 1.866 179.489 177.584 0.065 0.000 1.157 246 A CA 0.955 53.033 52.037 0.069 0.000 0.670 246 A CB -0.444 18.615 19.000 0.097 0.000 0.804 246 A HN 0.457 nan 8.150 nan 0.000 0.453 247 L N 0.656 121.923 121.223 0.074 0.000 2.612 247 L HA -0.009 4.331 4.340 -0.000 0.000 0.230 247 L C 2.296 179.186 176.870 0.034 0.000 1.140 247 L CA 0.713 55.582 54.840 0.049 0.000 0.896 247 L CB -0.182 41.907 42.059 0.049 0.000 1.065 247 L HN 0.577 nan 8.230 nan 0.000 0.447 248 S N -2.417 113.303 115.700 0.033 0.000 2.421 248 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 248 S C 1.743 176.355 174.600 0.020 0.000 1.035 248 S CA 0.800 59.014 58.200 0.024 0.000 0.953 248 S CB -0.147 63.066 63.200 0.021 0.000 0.810 248 S HN 0.247 nan 8.310 nan 0.000 0.497 249 T N 2.311 116.877 114.554 0.020 0.000 3.065 249 T HA 0.477 4.827 4.350 -0.000 0.000 0.252 249 T C 0.792 175.500 174.700 0.014 0.000 1.099 249 T CA 0.443 62.552 62.100 0.016 0.000 1.063 249 T CB -0.309 68.569 68.868 0.016 0.000 0.948 249 T HN 0.628 nan 8.240 nan 0.000 0.506 250 A N 2.655 125.484 122.820 0.015 0.000 2.573 250 A HA 0.146 4.466 4.320 -0.000 0.000 0.250 250 A C 0.364 177.949 177.584 0.001 0.000 1.049 250 A CA 0.505 52.545 52.037 0.006 0.000 0.767 250 A CB -0.064 18.938 19.000 0.003 0.000 0.965 250 A HN 0.383 nan 8.150 nan 0.000 0.514 251 K N 2.049 122.447 120.400 -0.005 0.000 2.118 251 K HA 0.282 4.602 4.320 -0.000 0.000 0.254 251 K C 0.082 176.672 176.600 -0.017 0.000 0.961 251 K CA -0.822 55.463 56.287 -0.004 0.000 0.876 251 K CB 1.600 34.099 32.500 -0.003 0.000 1.077 251 K HN 0.732 nan 8.250 nan 0.000 0.440 252 K N 0.557 120.950 120.400 -0.011 0.000 2.472 252 K HA -0.044 4.275 4.320 -0.000 0.000 0.280 252 K C 0.596 177.172 176.600 -0.040 0.000 1.028 252 K CA 1.236 57.508 56.287 -0.025 0.000 1.045 252 K CB -0.022 32.477 32.500 -0.002 0.000 0.902 252 K HN 0.825 nan 8.250 nan 0.000 0.478 253 G N 3.131 111.889 108.800 -0.071 0.000 2.194 253 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.236 253 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.236 253 G C -0.214 174.630 174.900 -0.095 0.000 0.987 253 G CA 0.022 45.074 45.100 -0.081 0.000 0.635 253 G HN 0.716 nan 8.290 nan 0.000 0.520 254 D N 0.161 120.510 120.400 -0.085 0.000 2.362 254 D HA 0.470 5.110 4.640 -0.000 0.000 0.242 254 D C 0.084 176.315 176.300 -0.115 0.000 1.132 254 D CA 0.289 54.245 54.000 -0.075 0.000 0.907 254 D CB 1.234 42.008 40.800 -0.043 0.000 1.195 254 D HN 0.090 nan 8.370 nan 0.000 0.429 255 I N 1.600 122.123 120.570 -0.077 0.000 2.355 255 I HA 0.056 4.226 4.170 -0.000 0.000 0.288 255 I C -0.242 175.877 176.117 0.004 0.000 0.999 255 I CA -0.594 60.664 61.300 -0.070 0.000 1.163 255 I CB 1.732 39.719 38.000 -0.020 0.000 1.316 255 I HN 0.004 nan 8.210 nan 0.000 0.454 256 V N 7.082 127.015 119.914 0.032 0.000 2.389 256 V HA 0.375 4.495 4.120 -0.000 0.000 0.264 256 V C 1.211 177.389 176.094 0.139 0.000 1.049 256 V CA -0.670 61.682 62.300 0.088 0.000 0.932 256 V CB 0.330 32.222 31.823 0.114 0.000 1.011 256 V HN 0.932 nan 8.190 nan 0.000 0.475 257 G N 7.196 116.064 108.800 0.113 0.000 2.752 257 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.226 257 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.226 257 G C -2.365 172.640 174.900 0.175 0.000 1.185 257 G CA -0.621 44.550 45.100 0.117 0.000 0.854 257 G HN 0.636 nan 8.290 nan 0.000 0.540 258 P HA 0.054 nan 4.420 nan 0.000 0.257 258 P C 0.020 177.529 177.300 0.348 0.000 1.227 258 P CA -0.017 63.228 63.100 0.242 0.000 0.981 258 P CB 0.078 31.833 31.700 0.092 0.000 1.044 259 I N 3.388 124.183 120.570 0.375 0.000 2.441 259 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 259 I C 1.066 177.327 176.117 0.238 0.000 1.049 259 I CA -0.589 60.867 61.300 0.260 0.000 1.381 259 I CB 0.640 38.736 38.000 0.161 0.000 1.409 259 I HN 0.224 nan 8.210 nan 0.000 0.523 260 R N 4.974 125.500 120.500 0.043 0.000 2.297 260 R HA 0.520 4.859 4.340 -0.000 0.000 0.308 260 R C -0.308 175.890 176.300 -0.170 0.000 1.029 260 R CA -0.106 55.825 56.100 -0.282 0.000 0.929 260 R CB 0.997 31.094 30.300 -0.338 0.000 1.046 260 R HN 0.855 nan 8.270 nan 0.000 0.461 261 S N 1.583 117.182 115.700 -0.169 0.000 2.732 261 S HA 0.480 4.950 4.470 -0.000 0.000 0.293 261 S C 0.806 175.352 174.600 -0.091 0.000 1.159 261 S CA -0.447 57.728 58.200 -0.040 0.000 0.847 261 S CB 1.165 64.500 63.200 0.225 0.000 1.169 261 S HN 0.640 nan 8.310 nan 0.000 0.501 262 G N -0.033 108.749 108.800 -0.031 0.000 2.559 262 G HA2 0.040 4.000 3.960 -0.000 0.000 0.216 262 G HA3 0.040 4.000 3.960 -0.000 0.000 0.216 262 G C 0.852 175.731 174.900 -0.035 0.000 1.126 262 G CA 0.941 46.018 45.100 -0.039 0.000 0.778 262 G HN 0.692 nan 8.290 nan 0.000 0.543 263 V N -0.547 119.361 119.914 -0.011 0.000 3.590 263 V HA 0.505 4.625 4.120 -0.000 0.000 0.265 263 V C 1.354 177.389 176.094 -0.099 0.000 1.239 263 V CA 0.843 63.133 62.300 -0.017 0.000 1.117 263 V CB -0.337 31.521 31.823 0.058 0.000 0.818 263 V HN 0.709 nan 8.190 nan 0.000 0.451 264 G N -0.273 108.405 108.800 -0.204 0.000 2.291 264 G HA2 0.100 4.060 3.960 -0.000 0.000 0.249 264 G HA3 0.100 4.060 3.960 -0.000 0.000 0.249 264 G C -1.435 173.184 174.900 -0.469 0.000 1.340 264 G CA -0.848 44.086 45.100 -0.278 0.000 1.017 264 G HN -0.038 nan 8.290 nan 0.000 0.470 265 F N 1.917 121.763 119.950 -0.172 0.000 2.420 265 F HA 0.600 5.127 4.527 -0.000 0.000 0.342 265 F C 0.734 176.438 175.800 -0.159 0.000 1.113 265 F CA -0.509 57.427 58.000 -0.106 0.000 1.059 265 F CB 1.653 40.635 39.000 -0.029 0.000 1.128 265 F HN 0.272 nan 8.300 nan 0.000 0.475 266 H N 4.381 123.667 119.070 0.360 0.000 2.463 266 H HA 0.610 5.165 4.556 -0.000 0.000 0.332 266 H C -0.554 174.994 175.328 0.366 0.000 1.127 266 H CA -0.510 55.786 56.048 0.412 0.000 1.238 266 H CB 2.166 32.380 29.762 0.754 0.000 1.478 266 H HN 0.463 nan 8.280 nan 0.000 0.499 267 I N 3.791 124.598 120.570 0.394 0.000 2.534 267 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 267 I C -0.662 175.710 176.117 0.424 0.000 1.077 267 I CA -0.395 61.117 61.300 0.353 0.000 1.051 267 I CB 2.104 40.271 38.000 0.278 0.000 1.234 267 I HN 0.179 nan 8.210 nan 0.000 0.425 268 L N 5.620 127.026 121.223 0.305 0.000 2.341 268 L HA 0.612 4.952 4.340 -0.000 0.000 0.267 268 L C -0.374 176.442 176.870 -0.090 0.000 1.009 268 L CA -0.792 54.146 54.840 0.163 0.000 0.819 268 L CB 2.277 44.341 42.059 0.008 0.000 1.323 268 L HN 0.482 nan 8.230 nan 0.000 0.425 269 K N 1.585 121.754 120.400 -0.384 0.000 2.376 269 K HA 0.424 4.744 4.320 -0.000 0.000 0.257 269 K C -1.333 175.046 176.600 -0.368 0.000 0.939 269 K CA -0.612 55.284 56.287 -0.653 0.000 0.809 269 K CB 2.137 33.739 32.500 -1.497 0.000 1.121 269 K HN 0.327 nan 8.250 nan 0.000 0.425 270 V N 5.561 125.321 119.914 -0.256 0.000 2.370 270 V HA 0.018 4.137 4.120 -0.000 0.000 0.257 270 V C 1.136 177.105 176.094 -0.209 0.000 1.064 270 V CA 0.119 62.303 62.300 -0.192 0.000 0.975 270 V CB 0.095 31.847 31.823 -0.119 0.000 1.067 270 V HN 0.831 nan 8.190 nan 0.000 0.485 271 N N 2.800 121.349 118.700 -0.250 0.000 2.092 271 N HA -0.032 4.708 4.740 -0.000 0.000 0.189 271 N C 0.434 175.826 175.510 -0.197 0.000 1.040 271 N CA 0.838 53.748 53.050 -0.233 0.000 0.845 271 N CB 0.242 38.567 38.487 -0.270 0.000 1.017 271 N HN 0.627 nan 8.380 nan 0.000 0.426 272 D N -0.768 119.460 120.400 -0.288 0.000 2.596 272 D HA 0.374 5.013 4.640 -0.000 0.000 0.234 272 D C -1.920 174.350 176.300 -0.050 0.000 1.181 272 D CA -0.584 53.336 54.000 -0.134 0.000 0.856 272 D CB 2.113 42.866 40.800 -0.079 0.000 1.498 272 D HN -0.090 nan 8.370 nan 0.000 0.446 273 L N 0.355 121.708 121.223 0.217 0.000 2.528 273 L HA 0.616 4.956 4.340 -0.000 0.000 0.267 273 L C -0.246 176.798 176.870 0.290 0.000 0.961 273 L CA -0.930 54.085 54.840 0.291 0.000 0.866 273 L CB 1.233 43.364 42.059 0.119 0.000 1.248 273 L HN 0.386 nan 8.230 nan 0.000 0.404 284 E N 0.687 120.983 120.200 0.159 0.000 2.446 284 E HA 0.805 5.155 4.350 -0.000 0.000 0.251 284 E C -0.605 176.185 176.600 0.318 0.000 1.087 284 E CA -1.074 55.469 56.400 0.238 0.000 0.937 284 E CB 1.974 31.878 29.700 0.340 0.000 1.254 284 E HN 0.747 nan 8.360 nan 0.000 0.479 285 V N -1.262 118.826 119.914 0.290 0.000 3.048 285 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 285 V C -1.492 174.467 176.094 -0.226 0.000 1.214 285 V CA -0.991 61.355 62.300 0.078 0.000 0.984 285 V CB 1.654 33.525 31.823 0.081 0.000 1.054 285 V HN 0.711 nan 8.190 nan 0.000 0.430 286 H N 2.259 120.845 119.070 -0.807 0.000 2.476 286 H HA 0.922 5.478 4.556 -0.000 0.000 0.328 286 H C -0.152 174.908 175.328 -0.446 0.000 1.073 286 H CA 0.696 56.164 56.048 -0.966 0.000 1.229 286 H CB 1.439 30.262 29.762 -1.565 0.000 1.432 286 H HN 1.434 nan 8.280 nan 0.000 0.477 287 A N 4.827 127.285 122.820 -0.603 0.000 2.609 287 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 287 A C -1.190 176.166 177.584 -0.380 0.000 1.096 287 A CA -1.037 50.759 52.037 -0.402 0.000 0.684 287 A CB 1.608 20.501 19.000 -0.178 0.000 1.282 287 A HN 0.828 nan 8.150 nan 0.000 0.412 288 R N 0.837 121.185 120.500 -0.254 0.000 2.725 288 R HA 0.815 5.154 4.340 -0.000 0.000 0.277 288 R C -1.302 175.114 176.300 0.194 0.000 0.987 288 R CA -0.748 55.312 56.100 -0.066 0.000 0.901 288 R CB 1.806 32.012 30.300 -0.157 0.000 1.207 288 R HN 1.041 nan 8.270 nan 0.000 0.463 289 H N 2.177 121.342 119.070 0.159 0.000 2.894 289 H HA 0.402 4.958 4.556 -0.000 0.000 0.367 289 H C -1.425 173.972 175.328 0.116 0.000 1.144 289 H CA -1.123 55.026 56.048 0.168 0.000 1.180 289 H CB 2.090 31.816 29.762 -0.059 0.000 1.758 289 H HN 0.599 nan 8.280 nan 0.000 0.541 290 I N 4.691 125.110 120.570 -0.251 0.000 2.330 290 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 290 I C -1.372 174.617 176.117 -0.212 0.000 1.001 290 I CA -0.672 60.414 61.300 -0.357 0.000 1.193 290 I CB 0.757 38.509 38.000 -0.413 0.000 1.345 290 I HN 0.534 nan 8.210 nan 0.000 0.461 291 L N 8.797 129.882 121.223 -0.230 0.000 2.331 291 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 291 L C -1.595 175.341 176.870 0.109 0.000 1.022 291 L CA -0.414 54.489 54.840 0.105 0.000 0.812 291 L CB 1.649 43.874 42.059 0.276 0.000 1.257 291 L HN 0.557 nan 8.230 nan 0.000 0.435 292 L N 4.789 126.103 121.223 0.152 0.000 2.409 292 L HA 0.524 4.863 4.340 -0.000 0.000 0.272 292 L C -0.506 176.443 176.870 0.131 0.000 0.980 292 L CA -0.674 54.228 54.840 0.104 0.000 0.826 292 L CB 1.717 43.805 42.059 0.048 0.000 1.268 292 L HN 0.524 nan 8.230 nan 0.000 0.407 293 K N 4.273 124.742 120.400 0.115 0.000 2.293 293 K HA 0.478 4.798 4.320 -0.000 0.000 0.267 293 K C -2.581 174.071 176.600 0.086 0.000 1.010 293 K CA -1.790 54.569 56.287 0.120 0.000 0.875 293 K CB 2.073 34.656 32.500 0.137 0.000 1.106 293 K HN 0.157 nan 8.250 nan 0.000 0.450 294 P HA 0.113 nan 4.420 nan 0.000 0.271 294 P C -1.075 176.258 177.300 0.056 0.000 1.216 294 P CA 0.075 63.213 63.100 0.064 0.000 0.776 294 P CB 0.808 32.565 31.700 0.095 0.000 0.881 295 S N 0.991 116.713 115.700 0.035 0.000 2.622 295 S HA 0.383 4.853 4.470 -0.000 0.000 0.275 295 S C -2.705 171.906 174.600 0.018 0.000 1.112 295 S CA -1.112 57.107 58.200 0.031 0.000 0.837 295 S CB 0.653 63.875 63.200 0.036 0.000 1.082 295 S HN 0.155 nan 8.310 nan 0.000 0.456 296 P HA -0.319 nan 4.420 nan 0.000 0.233 296 P C 1.252 178.553 177.300 0.001 0.000 0.738 296 P CA 2.748 65.854 63.100 0.009 0.000 1.103 296 P CB -0.382 31.324 31.700 0.010 0.000 0.675 297 I N -2.231 118.339 120.570 -0.001 0.000 2.141 297 I HA -0.112 4.058 4.170 -0.000 0.000 0.236 297 I C 1.627 177.731 176.117 -0.022 0.000 1.071 297 I CA 0.945 62.239 61.300 -0.010 0.000 1.345 297 I CB -0.539 37.456 38.000 -0.009 0.000 1.066 297 I HN 0.029 nan 8.210 nan 0.000 0.406 298 M N 2.058 121.644 119.600 -0.024 0.000 2.105 298 M HA 0.318 4.797 4.480 -0.000 0.000 0.350 298 M C 0.179 176.453 176.300 -0.042 0.000 1.308 298 M CA -0.473 54.800 55.300 -0.046 0.000 1.108 298 M CB 0.616 33.183 32.600 -0.056 0.000 1.622 298 M HN 0.075 nan 8.290 nan 0.000 0.468 299 T N -0.862 113.657 114.554 -0.060 0.000 2.788 299 T HA 0.213 4.563 4.350 -0.000 0.000 0.280 299 T C 0.686 175.328 174.700 -0.097 0.000 0.984 299 T CA -0.507 61.565 62.100 -0.047 0.000 0.972 299 T CB 0.710 69.551 68.868 -0.046 0.000 1.039 299 T HN 0.682 nan 8.240 nan 0.000 0.530 300 D N 0.136 120.507 120.400 -0.048 0.000 2.190 300 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 300 D C 1.907 177.914 176.300 -0.488 0.000 0.992 300 D CA 1.108 55.029 54.000 -0.131 0.000 0.854 300 D CB 0.068 41.002 40.800 0.224 0.000 0.936 300 D HN 0.544 nan 8.370 nan 0.000 0.462 301 E N 0.430 120.451 120.200 -0.297 0.000 2.086 301 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 301 E C 2.204 178.617 176.600 -0.312 0.000 0.975 301 E CA 0.288 56.488 56.400 -0.333 0.000 0.813 301 E CB -0.113 29.473 29.700 -0.190 0.000 0.768 301 E HN 0.328 nan 8.360 nan 0.000 0.457 302 Q N 0.432 120.098 119.800 -0.223 0.000 2.096 302 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 302 Q C 2.088 177.946 176.000 -0.237 0.000 0.993 302 Q CA 1.707 57.399 55.803 -0.185 0.000 0.862 302 Q CB -0.366 28.295 28.738 -0.128 0.000 0.915 302 Q HN 0.213 nan 8.270 nan 0.000 0.416 303 A N 1.030 123.674 122.820 -0.293 0.000 1.855 303 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 303 A C 2.164 179.504 177.584 -0.406 0.000 1.191 303 A CA 1.524 53.375 52.037 -0.309 0.000 0.613 303 A CB -0.628 18.205 19.000 -0.278 0.000 0.829 303 A HN 0.272 nan 8.150 nan 0.000 0.442 304 R N -0.257 119.813 120.500 -0.716 0.000 2.127 304 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 304 R C 1.849 177.930 176.300 -0.365 0.000 1.134 304 R CA 1.727 57.414 56.100 -0.688 0.000 0.975 304 R CB -0.371 29.254 30.300 -1.125 0.000 0.865 304 R HN 0.349 nan 8.270 nan 0.000 0.447 305 V N 0.927 120.648 119.914 -0.321 0.000 2.515 305 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 305 V C 2.197 178.170 176.094 -0.201 0.000 1.058 305 V CA 1.626 63.794 62.300 -0.220 0.000 1.064 305 V CB -0.413 31.296 31.823 -0.190 0.000 0.675 305 V HN 0.210 nan 8.190 nan 0.000 0.461 306 K N 0.477 120.739 120.400 -0.230 0.000 2.001 306 K HA -0.021 4.299 4.320 -0.000 0.000 0.208 306 K C 1.938 178.396 176.600 -0.238 0.000 1.048 306 K CA 1.425 57.557 56.287 -0.260 0.000 0.932 306 K CB -0.695 31.624 32.500 -0.302 0.000 0.715 306 K HN 0.315 nan 8.250 nan 0.000 0.437 307 L N 1.092 122.199 121.223 -0.192 0.000 2.263 307 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 307 L C 2.050 178.861 176.870 -0.098 0.000 1.111 307 L CA 1.105 55.870 54.840 -0.125 0.000 0.773 307 L CB -0.413 41.621 42.059 -0.043 0.000 0.906 307 L HN 0.301 nan 8.230 nan 0.000 0.439 308 E N -0.286 119.848 120.200 -0.110 0.000 2.072 308 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 308 E C 2.218 178.772 176.600 -0.077 0.000 0.985 308 E CA 0.871 57.223 56.400 -0.079 0.000 0.801 308 E CB -0.056 29.590 29.700 -0.089 0.000 0.750 308 E HN 0.522 nan 8.360 nan 0.000 0.452 309 Q N 0.318 120.054 119.800 -0.107 0.000 2.016 309 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 309 Q C 2.340 178.287 176.000 -0.089 0.000 0.978 309 Q CA 0.690 56.434 55.803 -0.099 0.000 0.833 309 Q CB -0.264 28.396 28.738 -0.130 0.000 0.895 309 Q HN 0.280 nan 8.270 nan 0.000 0.427 310 I N 0.973 121.464 120.570 -0.132 0.000 2.185 310 I HA -0.273 3.897 4.170 -0.000 0.000 0.246 310 I C 2.312 178.394 176.117 -0.059 0.000 1.088 310 I CA 1.540 62.779 61.300 -0.102 0.000 1.347 310 I CB -1.615 36.295 38.000 -0.150 0.000 1.041 310 I HN 0.054 nan 8.210 nan 0.000 0.415 311 A N 0.771 123.561 122.820 -0.051 0.000 1.898 311 A HA -0.005 4.314 4.320 -0.000 0.000 0.216 311 A C 2.577 180.163 177.584 0.004 0.000 1.181 311 A CA 1.776 53.808 52.037 -0.008 0.000 0.620 311 A CB -0.766 18.235 19.000 0.001 0.000 0.819 311 A HN 0.412 nan 8.150 nan 0.000 0.442 312 A N -0.013 122.800 122.820 -0.012 0.000 1.972 312 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 312 A C 1.662 179.247 177.584 0.002 0.000 1.169 312 A CA 1.911 53.944 52.037 -0.006 0.000 0.635 312 A CB -0.493 18.496 19.000 -0.019 0.000 0.810 312 A HN 0.444 nan 8.150 nan 0.000 0.446 313 D N -0.278 120.123 120.400 0.001 0.000 2.194 313 D HA -0.002 4.638 4.640 -0.000 0.000 0.204 313 D C 1.778 178.095 176.300 0.028 0.000 0.964 313 D CA 0.621 54.629 54.000 0.014 0.000 0.846 313 D CB -0.213 40.600 40.800 0.021 0.000 0.962 313 D HN 0.505 nan 8.370 nan 0.000 0.490 314 I N 0.745 121.336 120.570 0.035 0.000 2.202 314 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 314 I C 2.042 178.196 176.117 0.060 0.000 1.091 314 I CA 1.079 62.416 61.300 0.062 0.000 1.368 314 I CB -0.049 38.010 38.000 0.099 0.000 1.058 314 I HN -0.074 nan 8.210 nan 0.000 0.410 315 K N 0.054 120.484 120.400 0.049 0.000 2.211 315 K HA -0.118 4.202 4.320 -0.000 0.000 0.203 315 K C 2.013 178.630 176.600 0.028 0.000 1.050 315 K CA 1.438 57.748 56.287 0.039 0.000 0.945 315 K CB -0.181 32.338 32.500 0.032 0.000 0.732 315 K HN 0.187 nan 8.250 nan 0.000 0.451 316 S N -0.403 115.311 115.700 0.023 0.000 2.593 316 S HA 0.072 4.542 4.470 -0.000 0.000 0.217 316 S C 1.330 175.941 174.600 0.020 0.000 0.966 316 S CA 0.675 58.886 58.200 0.017 0.000 0.914 316 S CB -0.132 63.075 63.200 0.012 0.000 0.776 316 S HN 0.503 nan 8.310 nan 0.000 0.523 317 G N 1.606 110.422 108.800 0.026 0.000 2.245 317 G HA2 -0.398 3.561 3.960 -0.000 0.000 0.264 317 G HA3 -0.398 3.561 3.960 -0.000 0.000 0.264 317 G C 0.879 175.794 174.900 0.025 0.000 0.985 317 G CA 0.776 45.892 45.100 0.027 0.000 0.625 317 G HN 0.586 nan 8.290 nan 0.000 0.536 318 K N 0.155 120.569 120.400 0.023 0.000 2.127 318 K HA -0.029 4.291 4.320 -0.000 0.000 0.208 318 K C 1.259 177.874 176.600 0.025 0.000 1.047 318 K CA 2.045 58.345 56.287 0.021 0.000 0.927 318 K CB -0.099 32.413 32.500 0.020 0.000 0.716 318 K HN 0.602 nan 8.250 nan 0.000 0.450 319 T N -1.529 113.044 114.554 0.032 0.000 2.792 319 T HA 0.249 4.599 4.350 -0.000 0.000 0.303 319 T C -1.075 173.652 174.700 0.044 0.000 1.310 319 T CA -0.597 61.522 62.100 0.032 0.000 1.007 319 T CB 1.609 70.499 68.868 0.037 0.000 1.335 319 T HN 0.251 nan 8.240 nan 0.000 0.504 320 T N 0.438 115.020 114.554 0.046 0.000 2.944 320 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 320 T C 0.966 175.736 174.700 0.117 0.000 1.010 320 T CA -0.655 61.496 62.100 0.084 0.000 1.025 320 T CB 1.004 69.918 68.868 0.076 0.000 1.079 320 T HN 0.505 nan 8.240 nan 0.000 0.516 321 F N 1.807 121.759 119.950 0.004 0.000 2.075 321 F HA 0.059 4.586 4.527 -0.000 0.000 0.297 321 F C 2.606 178.401 175.800 -0.008 0.000 1.113 321 F CA 1.993 59.994 58.000 0.002 0.000 1.218 321 F CB -1.005 37.990 39.000 -0.008 0.000 0.984 321 F HN 0.768 nan 8.300 nan 0.000 0.472 322 A N 0.235 123.260 122.820 0.341 0.000 1.940 322 A HA -0.071 4.248 4.320 -0.000 0.000 0.219 322 A C 2.404 180.018 177.584 0.051 0.000 1.176 322 A CA 1.881 54.039 52.037 0.200 0.000 0.631 322 A CB -1.558 17.522 19.000 0.134 0.000 0.814 322 A HN 0.525 nan 8.150 nan 0.000 0.446 323 A N 0.006 122.840 122.820 0.024 0.000 1.845 323 A HA 0.148 4.467 4.320 -0.000 0.000 0.215 323 A C 2.564 180.082 177.584 -0.111 0.000 1.195 323 A CA 2.278 54.289 52.037 -0.043 0.000 0.616 323 A CB -1.291 17.691 19.000 -0.030 0.000 0.832 323 A HN 1.189 nan 8.150 nan 0.000 0.443 324 A N -0.187 122.579 122.820 -0.090 0.000 1.958 324 A HA 0.003 4.323 4.320 -0.000 0.000 0.221 324 A C 2.494 180.005 177.584 -0.122 0.000 1.178 324 A CA 2.655 54.645 52.037 -0.079 0.000 0.642 324 A CB -1.079 17.881 19.000 -0.066 0.000 0.816 324 A HN 1.160 nan 8.150 nan 0.000 0.453 325 A N -0.681 122.034 122.820 -0.175 0.000 1.873 325 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 325 A C 2.139 179.650 177.584 -0.120 0.000 1.186 325 A CA 1.897 53.842 52.037 -0.154 0.000 0.616 325 A CB -0.450 18.482 19.000 -0.114 0.000 0.823 325 A HN 0.523 nan 8.150 nan 0.000 0.442 326 K N -0.839 119.492 120.400 -0.116 0.000 2.209 326 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 326 K C 1.799 178.281 176.600 -0.197 0.000 1.048 326 K CA 1.247 57.465 56.287 -0.115 0.000 0.940 326 K CB 0.017 32.465 32.500 -0.086 0.000 0.729 326 K HN 0.397 nan 8.250 nan 0.000 0.451 327 E N -0.991 119.001 120.200 -0.348 0.000 2.318 327 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 327 E C 0.591 176.667 176.600 -0.873 0.000 0.998 327 E CA 0.746 56.736 56.400 -0.684 0.000 0.859 327 E CB 0.382 29.479 29.700 -1.004 0.000 0.812 327 E HN 0.238 nan 8.360 nan 0.000 0.492 328 F N -1.094 118.807 119.950 -0.082 0.000 2.675 328 F HA 0.185 4.711 4.527 -0.000 0.000 0.315 328 F C 1.131 176.883 175.800 -0.080 0.000 0.888 328 F CA -0.420 57.533 58.000 -0.079 0.000 1.100 328 F CB -0.632 38.312 39.000 -0.095 0.000 0.908 328 F HN -0.288 nan 8.300 nan 0.000 0.657 329 S N 0.975 116.711 115.700 0.059 0.000 2.525 329 S HA -0.071 4.398 4.470 -0.000 0.000 0.282 329 S C 1.112 175.716 174.600 0.006 0.000 1.324 329 S CA 0.291 58.471 58.200 -0.034 0.000 1.025 329 S CB 0.623 63.740 63.200 -0.138 0.000 0.820 329 S HN 0.240 nan 8.310 nan 0.000 0.514 330 Q N 1.335 121.144 119.800 0.015 0.000 2.530 330 Q HA 0.125 4.465 4.340 -0.000 0.000 0.198 330 Q C 0.164 176.201 176.000 0.061 0.000 0.956 330 Q CA 0.192 56.031 55.803 0.061 0.000 0.870 330 Q CB -1.099 27.704 28.738 0.110 0.000 1.050 330 Q HN 0.918 nan 8.270 nan 0.000 0.604 331 D N 3.951 124.404 120.400 0.088 0.000 2.950 331 D HA -0.046 4.593 4.640 -0.000 0.000 0.265 331 D C -2.317 174.018 176.300 0.059 0.000 1.405 331 D CA -0.480 53.575 54.000 0.092 0.000 0.998 331 D CB 0.303 41.194 40.800 0.152 0.000 1.154 331 D HN -0.101 nan 8.370 nan 0.000 0.586 332 P HA 0.280 nan 4.420 nan 0.000 0.271 332 P C 0.419 177.743 177.300 0.040 0.000 1.216 332 P CA 0.134 63.258 63.100 0.039 0.000 0.776 332 P CB 1.138 32.861 31.700 0.038 0.000 0.881 333 G N 1.305 110.126 108.800 0.036 0.000 2.215 333 G HA2 0.002 3.962 3.960 -0.000 0.000 0.198 333 G HA3 0.002 3.962 3.960 -0.000 0.000 0.198 333 G C 0.318 175.248 174.900 0.050 0.000 1.047 333 G CA 0.352 45.475 45.100 0.039 0.000 0.747 333 G HN 0.853 nan 8.290 nan 0.000 0.495 334 S N -4.022 111.707 115.700 0.048 0.000 1.574 334 S HA 0.307 4.777 4.470 -0.000 0.000 0.114 334 S C 2.192 176.807 174.600 0.025 0.000 0.516 334 S CA 1.553 59.786 58.200 0.056 0.000 1.633 334 S CB -1.132 62.132 63.200 0.107 0.000 0.859 334 S HN 1.921 nan 8.310 nan 0.000 0.309 335 A N 4.037 126.861 122.820 0.007 0.000 1.865 335 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 335 A C 1.984 179.557 177.584 -0.018 0.000 1.191 335 A CA 2.206 54.230 52.037 -0.023 0.000 0.623 335 A CB -1.134 17.857 19.000 -0.015 0.000 0.826 335 A HN 0.947 nan 8.150 nan 0.000 0.444 336 N N -1.137 117.561 118.700 -0.005 0.000 2.467 336 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 336 N C 0.384 175.898 175.510 0.007 0.000 1.106 336 N CA 0.469 53.515 53.050 -0.007 0.000 0.892 336 N CB -0.177 38.308 38.487 -0.003 0.000 0.969 336 N HN 0.351 nan 8.380 nan 0.000 0.454 337 Q N 0.650 120.462 119.800 0.020 0.000 2.297 337 Q HA 0.218 4.557 4.340 -0.000 0.000 0.265 337 Q C 0.500 176.527 176.000 0.046 0.000 0.904 337 Q CA 0.032 55.856 55.803 0.035 0.000 0.969 337 Q CB -0.490 28.275 28.738 0.046 0.000 1.115 337 Q HN 0.563 nan 8.270 nan 0.000 0.433 338 G N 0.390 109.213 108.800 0.038 0.000 2.233 338 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.270 338 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.270 338 G C 0.872 175.847 174.900 0.125 0.000 1.011 338 G CA 0.698 45.839 45.100 0.067 0.000 0.762 338 G HN 0.815 nan 8.290 nan 0.000 0.511 339 G N -1.198 107.650 108.800 0.080 0.000 2.176 339 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.253 339 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.253 339 G C 0.268 175.233 174.900 0.108 0.000 0.979 339 G CA 0.921 46.085 45.100 0.107 0.000 0.641 339 G HN 1.261 nan 8.290 nan 0.000 0.530 340 D N 0.124 120.560 120.400 0.060 0.000 2.488 340 D HA 0.275 4.915 4.640 -0.000 0.000 0.238 340 D C 1.404 177.711 176.300 0.011 0.000 1.138 340 D CA 0.125 54.120 54.000 -0.009 0.000 0.873 340 D CB 0.351 41.173 40.800 0.037 0.000 1.183 340 D HN 0.209 nan 8.370 nan 0.000 0.458 341 L N 2.979 124.162 121.223 -0.067 0.000 3.066 341 L HA 0.300 4.639 4.340 -0.000 0.000 0.265 341 L C 1.372 178.255 176.870 0.021 0.000 1.232 341 L CA -0.159 54.680 54.840 -0.001 0.000 1.031 341 L CB -0.271 41.779 42.059 -0.016 0.000 1.379 341 L HN 0.677 nan 8.230 nan 0.000 0.563 342 G N 0.098 108.937 108.800 0.065 0.000 2.707 342 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.279 342 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.279 342 G C -0.752 174.282 174.900 0.224 0.000 1.345 342 G CA -0.365 44.874 45.100 0.231 0.000 0.912 342 G HN 0.215 nan 8.290 nan 0.000 0.563 343 W N 0.018 121.463 121.300 0.242 0.000 2.237 343 W HA 0.636 5.296 4.660 -0.000 0.000 0.335 343 W C 0.639 177.204 176.519 0.078 0.000 1.230 343 W CA 0.894 58.349 57.345 0.183 0.000 1.253 343 W CB 1.398 30.907 29.460 0.082 0.000 1.129 343 W HN 1.215 nan 8.180 nan 0.000 0.590 344 A N 0.587 123.553 122.820 0.243 0.000 2.536 344 A HA 0.753 5.073 4.320 -0.000 0.000 0.293 344 A C -1.138 176.442 177.584 -0.007 0.000 1.119 344 A CA -0.921 51.134 52.037 0.030 0.000 0.654 344 A CB 0.732 19.631 19.000 -0.167 0.000 1.291 344 A HN 0.310 nan 8.150 nan 0.000 0.439 345 T N 1.694 116.143 114.554 -0.175 0.000 2.829 345 T HA 0.502 4.851 4.350 -0.000 0.000 0.282 345 T C -2.110 172.444 174.700 -0.242 0.000 0.990 345 T CA -1.209 60.814 62.100 -0.129 0.000 1.028 345 T CB 1.428 70.229 68.868 -0.112 0.000 0.951 345 T HN 0.329 nan 8.240 nan 0.000 0.460 346 P HA -0.238 nan 4.420 nan 0.000 0.217 346 P C 1.620 178.889 177.300 -0.052 0.000 1.158 346 P CA 1.262 64.394 63.100 0.053 0.000 0.887 346 P CB 0.063 31.820 31.700 0.095 0.000 0.792 347 D N -0.054 120.295 120.400 -0.086 0.000 2.158 347 D HA -0.213 4.427 4.640 -0.000 0.000 0.197 347 D C 1.869 178.079 176.300 -0.151 0.000 0.995 347 D CA 1.105 55.056 54.000 -0.081 0.000 0.846 347 D CB -1.208 39.553 40.800 -0.064 0.000 0.941 347 D HN 0.232 nan 8.370 nan 0.000 0.456 348 I N -0.724 119.644 120.570 -0.337 0.000 3.164 348 I HA -0.031 4.139 4.170 -0.000 0.000 0.278 348 I C -0.115 175.790 176.117 -0.352 0.000 1.320 348 I CA 0.153 61.228 61.300 -0.376 0.000 1.422 348 I CB -0.301 37.395 38.000 -0.507 0.000 1.066 348 I HN -0.173 nan 8.210 nan 0.000 0.503 349 F N 1.404 121.262 119.950 -0.154 0.000 2.422 349 F HA 0.223 4.750 4.527 -0.000 0.000 0.333 349 F C 0.799 176.563 175.800 -0.060 0.000 1.095 349 F CA -1.331 56.526 58.000 -0.239 0.000 1.038 349 F CB 0.638 39.401 39.000 -0.395 0.000 1.156 349 F HN 0.008 nan 8.300 nan 0.000 0.483 350 D N 4.464 125.006 120.400 0.237 0.000 2.515 350 D HA -0.068 4.572 4.640 -0.000 0.000 0.232 350 D C -1.851 174.584 176.300 0.225 0.000 1.157 350 D CA -0.834 53.314 54.000 0.246 0.000 0.871 350 D CB 1.473 42.473 40.800 0.334 0.000 1.200 350 D HN 0.217 nan 8.370 nan 0.000 0.466 351 P HA -0.155 nan 4.420 nan 0.000 0.216 351 P C 0.952 178.325 177.300 0.121 0.000 1.153 351 P CA 2.251 65.420 63.100 0.116 0.000 0.858 351 P CB 0.044 31.785 31.700 0.068 0.000 0.789 352 A N -1.535 121.356 122.820 0.118 0.000 1.873 352 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 352 A C 2.102 179.763 177.584 0.129 0.000 1.186 352 A CA 1.298 53.382 52.037 0.079 0.000 0.616 352 A CB -1.749 17.267 19.000 0.027 0.000 0.823 352 A HN 0.085 nan 8.150 nan 0.000 0.442 353 F N 0.528 120.508 119.950 0.050 0.000 2.026 353 F HA -0.181 4.345 4.527 -0.000 0.000 0.296 353 F C 2.450 178.236 175.800 -0.024 0.000 1.133 353 F CA 2.148 60.148 58.000 0.001 0.000 1.188 353 F CB -0.509 38.447 39.000 -0.072 0.000 0.968 353 F HN 0.213 nan 8.300 nan 0.000 0.476 354 R N 0.200 120.945 120.500 0.409 0.000 2.113 354 R HA -0.272 4.068 4.340 -0.000 0.000 0.244 354 R C 2.049 178.449 176.300 0.166 0.000 1.142 354 R CA 2.368 58.644 56.100 0.293 0.000 0.953 354 R CB -0.962 29.475 30.300 0.228 0.000 0.860 354 R HN 0.404 nan 8.270 nan 0.000 0.438 355 D N -0.458 120.012 120.400 0.117 0.000 2.178 355 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 355 D C 1.714 178.033 176.300 0.033 0.000 0.980 355 D CA 1.467 55.505 54.000 0.063 0.000 0.842 355 D CB -0.011 40.815 40.800 0.042 0.000 0.948 355 D HN 0.408 nan 8.370 nan 0.000 0.472 356 A N 0.312 123.136 122.820 0.007 0.000 1.865 356 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 356 A C 2.398 179.954 177.584 -0.046 0.000 1.191 356 A CA 1.395 53.396 52.037 -0.060 0.000 0.623 356 A CB -1.007 17.882 19.000 -0.185 0.000 0.826 356 A HN 0.362 nan 8.150 nan 0.000 0.444 357 L N -0.545 120.668 121.223 -0.017 0.000 2.043 357 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 357 L C 2.768 179.652 176.870 0.023 0.000 1.075 357 L CA 1.892 56.739 54.840 0.012 0.000 0.752 357 L CB -1.458 40.659 42.059 0.097 0.000 0.891 357 L HN 0.383 nan 8.230 nan 0.000 0.432 358 T N -0.433 114.144 114.554 0.039 0.000 2.653 358 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 358 T C 1.825 176.536 174.700 0.018 0.000 1.035 358 T CA 1.533 63.653 62.100 0.034 0.000 1.154 358 T CB -0.237 68.654 68.868 0.037 0.000 0.862 358 T HN 0.352 nan 8.240 nan 0.000 0.441 359 R N 0.192 120.696 120.500 0.008 0.000 2.334 359 R HA 0.299 4.639 4.340 -0.000 0.000 0.220 359 R C -0.012 176.286 176.300 -0.004 0.000 0.917 359 R CA -0.082 56.020 56.100 0.003 0.000 1.073 359 R CB -0.016 30.285 30.300 0.001 0.000 1.056 359 R HN 0.356 nan 8.270 nan 0.000 0.506 360 L N 1.358 122.576 121.223 -0.010 0.000 2.312 360 L HA 0.208 4.548 4.340 -0.000 0.000 0.281 360 L C 0.020 176.883 176.870 -0.012 0.000 1.070 360 L CA -0.331 54.498 54.840 -0.018 0.000 0.805 360 L CB 1.279 43.315 42.059 -0.038 0.000 1.174 360 L HN 0.121 nan 8.230 nan 0.000 0.434 361 N N 2.209 120.902 118.700 -0.012 0.000 2.515 361 N HA 0.204 4.944 4.740 -0.000 0.000 0.279 361 N C -0.753 174.747 175.510 -0.017 0.000 1.164 361 N CA -0.843 52.202 53.050 -0.008 0.000 0.982 361 N CB 1.089 39.573 38.487 -0.005 0.000 1.170 361 N HN 0.445 nan 8.380 nan 0.000 0.474 362 K N 0.661 121.055 120.400 -0.010 0.000 2.472 362 K HA 0.011 4.331 4.320 -0.000 0.000 0.280 362 K C 0.993 177.576 176.600 -0.027 0.000 1.028 362 K CA 0.689 56.965 56.287 -0.017 0.000 1.045 362 K CB 0.295 32.795 32.500 0.001 0.000 0.902 362 K HN 0.863 nan 8.250 nan 0.000 0.478 363 G N 1.909 110.679 108.800 -0.051 0.000 2.225 363 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.254 363 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.254 363 G C 0.146 175.012 174.900 -0.056 0.000 0.988 363 G CA 0.077 45.141 45.100 -0.059 0.000 0.625 363 G HN 0.602 nan 8.290 nan 0.000 0.527 364 Q N 0.254 120.027 119.800 -0.045 0.000 2.299 364 Q HA 0.660 5.000 4.340 -0.000 0.000 0.246 364 Q C 0.373 176.351 176.000 -0.036 0.000 0.935 364 Q CA -0.419 55.367 55.803 -0.030 0.000 0.887 364 Q CB 0.519 29.246 28.738 -0.019 0.000 1.223 364 Q HN 0.468 nan 8.270 nan 0.000 0.439 365 M N 2.153 121.750 119.600 -0.005 0.000 2.363 365 M HA 0.298 4.778 4.480 -0.000 0.000 0.343 365 M C -0.311 176.001 176.300 0.021 0.000 1.165 365 M CA -0.406 54.910 55.300 0.026 0.000 1.046 365 M CB 1.491 34.146 32.600 0.091 0.000 1.648 365 M HN 0.845 nan 8.290 nan 0.000 0.452 366 S N 3.026 118.736 115.700 0.017 0.000 2.686 366 S HA 0.805 5.275 4.470 -0.000 0.000 0.270 366 S C -0.065 174.552 174.600 0.028 0.000 1.194 366 S CA -0.713 57.488 58.200 0.001 0.000 0.990 366 S CB 1.193 64.368 63.200 -0.041 0.000 1.029 366 S HN 0.816 nan 8.310 nan 0.000 0.560 367 A N 0.501 123.337 122.820 0.028 0.000 2.239 367 A HA 0.770 5.090 4.320 -0.000 0.000 0.303 367 A C -2.724 174.906 177.584 0.078 0.000 1.114 367 A CA -2.214 49.852 52.037 0.049 0.000 0.871 367 A CB -0.830 18.200 19.000 0.050 0.000 1.201 367 A HN 0.679 nan 8.150 nan 0.000 0.506 368 P HA 0.300 nan 4.420 nan 0.000 0.268 368 P C -1.062 176.384 177.300 0.243 0.000 1.204 368 P CA 0.187 63.426 63.100 0.232 0.000 0.768 368 P CB 0.662 32.538 31.700 0.293 0.000 0.842 369 V N 3.858 123.833 119.914 0.101 0.000 2.540 369 V HA 0.249 4.369 4.120 -0.000 0.000 0.302 369 V C -0.132 175.616 176.094 -0.577 0.000 1.035 369 V CA -0.580 61.629 62.300 -0.153 0.000 0.873 369 V CB 1.505 33.261 31.823 -0.112 0.000 0.992 369 V HN 0.585 nan 8.190 nan 0.000 0.428 370 H N 3.401 121.862 119.070 -1.014 0.000 2.489 370 H HA 0.721 5.276 4.556 -0.000 0.000 0.322 370 H C -0.043 174.892 175.328 -0.654 0.000 1.091 370 H CA 0.199 55.422 56.048 -1.375 0.000 1.291 370 H CB 1.718 30.561 29.762 -1.532 0.000 1.436 370 H HN 0.847 nan 8.280 nan 0.000 0.480 371 S N 1.716 117.331 115.700 -0.142 0.000 2.732 371 S HA 0.220 4.690 4.470 -0.000 0.000 0.293 371 S C 1.178 175.840 174.600 0.103 0.000 1.159 371 S CA -0.138 58.075 58.200 0.021 0.000 0.847 371 S CB 0.836 64.121 63.200 0.142 0.000 1.169 371 S HN 0.530 nan 8.310 nan 0.000 0.501 372 S N 0.087 115.846 115.700 0.099 0.000 2.419 372 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 372 S C 1.162 175.716 174.600 -0.076 0.000 1.019 372 S CA 1.000 59.192 58.200 -0.014 0.000 0.982 372 S CB -0.945 62.207 63.200 -0.081 0.000 0.789 372 S HN 0.615 nan 8.310 nan 0.000 0.490 373 F N 2.159 122.153 119.950 0.073 0.000 2.569 373 F HA 0.455 4.982 4.527 -0.000 0.000 0.295 373 F C 1.810 177.633 175.800 0.039 0.000 1.115 373 F CA 0.543 58.596 58.000 0.090 0.000 1.450 373 F CB 0.239 39.340 39.000 0.169 0.000 1.107 373 F HN 0.599 nan 8.300 nan 0.000 0.563 374 G N -1.349 107.488 108.800 0.062 0.000 2.288 374 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.227 374 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.227 374 G C -1.938 172.622 174.900 -0.566 0.000 1.339 374 G CA -1.206 43.806 45.100 -0.148 0.000 1.057 374 G HN -0.057 nan 8.290 nan 0.000 0.470 375 W N 2.180 123.255 121.300 -0.376 0.000 2.429 375 W HA 0.743 5.403 4.660 -0.000 0.000 0.314 375 W C 0.076 176.466 176.519 -0.215 0.000 1.062 375 W CA 0.206 57.322 57.345 -0.383 0.000 1.211 375 W CB 1.432 30.718 29.460 -0.289 0.000 1.305 375 W HN 0.887 nan 8.180 nan 0.000 0.476 376 H N 0.496 119.647 119.070 0.134 0.000 3.046 376 H HA 0.526 5.082 4.556 -0.000 0.000 0.363 376 H C -1.371 173.977 175.328 0.034 0.000 1.203 376 H CA -1.493 54.621 56.048 0.110 0.000 1.169 376 H CB 0.403 30.307 29.762 0.236 0.000 1.851 376 H HN 0.295 nan 8.280 nan 0.000 0.546 377 L N 2.633 123.968 121.223 0.186 0.000 2.319 377 L HA 0.377 4.717 4.340 -0.000 0.000 0.280 377 L C -0.318 176.628 176.870 0.127 0.000 1.099 377 L CA -0.346 54.559 54.840 0.109 0.000 0.828 377 L CB 0.367 42.443 42.059 0.028 0.000 1.150 377 L HN 0.552 nan 8.230 nan 0.000 0.442 378 I N 3.725 124.313 120.570 0.029 0.000 2.389 378 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 378 I C -0.234 175.864 176.117 -0.032 0.000 0.999 378 I CA -0.369 60.879 61.300 -0.087 0.000 1.129 378 I CB 2.014 39.749 38.000 -0.441 0.000 1.288 378 I HN 0.588 nan 8.210 nan 0.000 0.444 379 E N 6.010 126.166 120.200 -0.072 0.000 2.165 379 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 379 E C -1.394 175.071 176.600 -0.224 0.000 0.889 379 E CA -0.979 55.300 56.400 -0.201 0.000 0.756 379 E CB 1.813 31.195 29.700 -0.530 0.000 1.131 379 E HN 0.399 nan 8.360 nan 0.000 0.411 380 L N 6.627 127.755 121.223 -0.157 0.000 2.283 380 L HA 0.237 4.577 4.340 -0.000 0.000 0.287 380 L C -0.413 176.375 176.870 -0.136 0.000 1.073 380 L CA 0.373 55.133 54.840 -0.132 0.000 0.822 380 L CB 0.192 42.206 42.059 -0.075 0.000 1.186 380 L HN 0.791 nan 8.230 nan 0.000 0.436 381 L N 2.419 123.540 121.223 -0.169 0.000 2.140 381 L HA 0.299 4.639 4.340 -0.000 0.000 0.201 381 L C 0.297 177.131 176.870 -0.060 0.000 1.191 381 L CA 0.295 55.064 54.840 -0.118 0.000 0.825 381 L CB -0.149 41.845 42.059 -0.108 0.000 0.970 381 L HN 0.576 nan 8.230 nan 0.000 0.477 382 D N -1.795 118.552 120.400 -0.088 0.000 2.450 382 D HA 0.380 5.020 4.640 -0.000 0.000 0.238 382 D C -1.255 175.058 176.300 0.021 0.000 1.020 382 D CA -0.213 53.789 54.000 0.003 0.000 1.010 382 D CB 2.203 43.091 40.800 0.146 0.000 1.342 382 D HN -0.071 nan 8.370 nan 0.000 0.530 383 T N 1.006 115.691 114.554 0.219 0.000 3.008 383 T HA 0.380 4.730 4.350 -0.000 0.000 0.328 383 T C -0.744 174.155 174.700 0.333 0.000 1.020 383 T CA -0.764 61.502 62.100 0.277 0.000 1.043 383 T CB 0.565 69.521 68.868 0.146 0.000 1.010 383 T HN 0.391 nan 8.240 nan 0.000 0.466 384 R N 2.074 122.856 120.500 0.469 0.000 2.668 384 R HA 0.735 5.075 4.340 -0.000 0.000 0.279 384 R C -0.803 175.548 176.300 0.086 0.000 0.976 384 R CA -0.804 55.389 56.100 0.154 0.000 0.978 384 R CB 0.994 31.193 30.300 -0.169 0.000 1.133 384 R HN 0.252 nan 8.270 nan 0.000 0.484 397 A N 0.347 123.113 122.820 -0.090 0.000 2.019 397 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 397 A C 1.520 178.950 177.584 -0.256 0.000 1.164 397 A CA 1.359 53.259 52.037 -0.229 0.000 0.644 397 A CB -0.559 18.203 19.000 -0.396 0.000 0.805 397 A HN 0.492 nan 8.150 nan 0.000 0.449 398 Y N -0.790 119.507 120.300 -0.006 0.000 2.365 398 Y HA 0.029 4.579 4.550 -0.000 0.000 0.293 398 Y C 2.575 178.472 175.900 -0.006 0.000 1.119 398 Y CA 0.996 59.093 58.100 -0.005 0.000 1.203 398 Y CB -0.099 38.356 38.460 -0.008 0.000 1.026 398 Y HN 0.154 nan 8.280 nan 0.000 0.549 399 R N -0.251 120.330 120.500 0.136 0.000 2.119 399 R HA -0.109 4.230 4.340 -0.000 0.000 0.222 399 R C 2.270 178.592 176.300 0.035 0.000 1.088 399 R CA 1.182 57.321 56.100 0.065 0.000 0.984 399 R CB -0.290 30.034 30.300 0.040 0.000 0.884 399 R HN 0.392 nan 8.270 nan 0.000 0.447 400 M N 0.873 120.484 119.600 0.018 0.000 2.082 400 M HA -0.246 4.234 4.480 -0.000 0.000 0.258 400 M C 2.146 178.453 176.300 0.012 0.000 1.071 400 M CA 1.788 57.087 55.300 -0.001 0.000 1.103 400 M CB -0.194 32.383 32.600 -0.037 0.000 1.307 400 M HN 0.188 nan 8.290 nan 0.000 0.409 401 L N 0.642 121.871 121.223 0.010 0.000 1.970 401 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 401 L C 2.438 179.340 176.870 0.054 0.000 1.071 401 L CA 2.162 57.018 54.840 0.028 0.000 0.751 401 L CB -0.779 41.300 42.059 0.033 0.000 0.889 401 L HN 0.433 nan 8.230 nan 0.000 0.432 402 M N 0.128 119.767 119.600 0.064 0.000 2.103 402 M HA -0.290 4.190 4.480 -0.000 0.000 0.255 402 M C 2.029 178.385 176.300 0.093 0.000 1.074 402 M CA 1.868 57.211 55.300 0.071 0.000 1.090 402 M CB -0.864 31.765 32.600 0.047 0.000 1.325 402 M HN 0.407 nan 8.290 nan 0.000 0.403 403 N N -0.816 117.923 118.700 0.065 0.000 2.188 403 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 403 N C 1.824 177.415 175.510 0.135 0.000 1.018 403 N CA 1.150 54.253 53.050 0.088 0.000 0.858 403 N CB -0.281 38.227 38.487 0.034 0.000 0.989 403 N HN 0.450 nan 8.380 nan 0.000 0.426 404 R N 1.146 121.700 120.500 0.090 0.000 2.081 404 R HA 0.017 4.357 4.340 -0.000 0.000 0.235 404 R C 2.086 178.442 176.300 0.095 0.000 1.131 404 R CA 1.040 57.187 56.100 0.079 0.000 0.960 404 R CB 0.001 30.332 30.300 0.052 0.000 0.856 404 R HN 0.185 nan 8.270 nan 0.000 0.436 405 K N -0.472 119.989 120.400 0.101 0.000 2.148 405 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 405 K C 1.799 178.468 176.600 0.114 0.000 1.050 405 K CA 1.015 57.357 56.287 0.092 0.000 0.942 405 K CB -0.094 32.456 32.500 0.085 0.000 0.724 405 K HN 0.067 nan 8.250 nan 0.000 0.446 406 F N 1.794 121.753 119.950 0.016 0.000 2.084 406 F HA -0.261 4.266 4.527 -0.000 0.000 0.296 406 F C 2.533 178.352 175.800 0.032 0.000 1.111 406 F CA 1.874 59.881 58.000 0.012 0.000 1.224 406 F CB -0.492 38.510 39.000 0.003 0.000 0.991 406 F HN 0.008 nan 8.300 nan 0.000 0.471 407 S N -0.211 115.579 115.700 0.151 0.000 2.359 407 S HA -0.319 4.150 4.470 -0.000 0.000 0.223 407 S C 1.973 176.570 174.600 -0.005 0.000 1.039 407 S CA 1.417 59.658 58.200 0.069 0.000 1.042 407 S CB -1.031 62.244 63.200 0.125 0.000 0.915 407 S HN 0.545 nan 8.310 nan 0.000 0.439 408 E N 1.649 121.870 120.200 0.035 0.000 2.033 408 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 408 E C 2.115 178.715 176.600 -0.001 0.000 1.011 408 E CA 1.837 58.267 56.400 0.050 0.000 0.815 408 E CB -0.585 29.149 29.700 0.055 0.000 0.755 408 E HN 0.558 nan 8.360 nan 0.000 0.451 409 E N -0.202 119.963 120.200 -0.059 0.000 2.097 409 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 409 E C 1.811 178.347 176.600 -0.107 0.000 1.000 409 E CA 1.592 57.939 56.400 -0.087 0.000 0.804 409 E CB -0.607 29.011 29.700 -0.137 0.000 0.740 409 E HN 0.375 nan 8.360 nan 0.000 0.454 410 A N 0.335 122.995 122.820 -0.266 0.000 1.972 410 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 410 A C 2.359 179.980 177.584 0.061 0.000 1.169 410 A CA 1.959 53.887 52.037 -0.181 0.000 0.635 410 A CB -0.817 17.950 19.000 -0.390 0.000 0.810 410 A HN 0.361 nan 8.150 nan 0.000 0.446 411 A N -0.871 121.968 122.820 0.033 0.000 1.841 411 A HA -0.084 4.236 4.320 -0.000 0.000 0.214 411 A C 2.469 180.092 177.584 0.064 0.000 1.195 411 A CA 2.042 54.117 52.037 0.064 0.000 0.611 411 A CB -1.204 17.844 19.000 0.080 0.000 0.835 411 A HN 0.541 nan 8.150 nan 0.000 0.443 412 S N -1.665 114.073 115.700 0.064 0.000 2.380 412 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 412 S C 1.641 176.302 174.600 0.102 0.000 1.043 412 S CA 2.044 60.281 58.200 0.063 0.000 1.038 412 S CB -0.533 62.701 63.200 0.057 0.000 0.872 412 S HN 0.703 nan 8.310 nan 0.000 0.456 413 W N 1.794 123.057 121.300 -0.062 0.000 2.329 413 W HA -0.144 4.516 4.660 -0.000 0.000 0.324 413 W C 2.289 178.784 176.519 -0.040 0.000 1.222 413 W CA 2.005 59.316 57.345 -0.056 0.000 1.270 413 W CB -0.862 28.550 29.460 -0.081 0.000 1.167 413 W HN 0.283 nan 8.180 nan 0.000 0.467 414 M N 0.076 119.598 119.600 -0.130 0.000 2.108 414 M HA -0.301 4.179 4.480 -0.000 0.000 0.261 414 M C 2.287 178.441 176.300 -0.243 0.000 1.066 414 M CA 2.192 57.281 55.300 -0.351 0.000 1.107 414 M CB -1.105 31.419 32.600 -0.128 0.000 1.356 414 M HN 0.242 nan 8.290 nan 0.000 0.406 415 Q N 0.777 120.509 119.800 -0.114 0.000 2.062 415 Q HA -0.250 4.090 4.340 -0.000 0.000 0.209 415 Q C 1.792 177.725 176.000 -0.112 0.000 0.996 415 Q CA 2.040 57.793 55.803 -0.082 0.000 0.859 415 Q CB -0.003 28.715 28.738 -0.033 0.000 0.920 415 Q HN 0.555 nan 8.270 nan 0.000 0.415 416 E N -0.667 119.456 120.200 -0.128 0.000 2.047 416 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 416 E C 2.261 178.745 176.600 -0.193 0.000 0.987 416 E CA 0.893 57.218 56.400 -0.126 0.000 0.799 416 E CB 0.046 29.696 29.700 -0.083 0.000 0.752 416 E HN 0.345 nan 8.360 nan 0.000 0.449 417 Q N 0.503 120.089 119.800 -0.357 0.000 2.061 417 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 417 Q C 2.225 178.083 176.000 -0.237 0.000 0.984 417 Q CA 1.212 56.789 55.803 -0.377 0.000 0.846 417 Q CB -0.389 27.934 28.738 -0.691 0.000 0.902 417 Q HN 0.018 nan 8.270 nan 0.000 0.421 418 R N 0.907 121.273 120.500 -0.222 0.000 2.105 418 R HA -0.079 4.261 4.340 -0.000 0.000 0.239 418 R C 1.889 178.129 176.300 -0.100 0.000 1.135 418 R CA 1.661 57.673 56.100 -0.148 0.000 0.967 418 R CB -0.838 29.384 30.300 -0.130 0.000 0.861 418 R HN 0.242 nan 8.270 nan 0.000 0.442 419 A N -0.225 122.540 122.820 -0.091 0.000 1.825 419 A HA -0.079 4.241 4.320 -0.000 0.000 0.214 419 A C 1.466 179.025 177.584 -0.042 0.000 1.206 419 A CA 1.546 53.550 52.037 -0.055 0.000 0.609 419 A CB -0.944 18.027 19.000 -0.047 0.000 0.851 419 A HN 0.482 nan 8.150 nan 0.000 0.445 420 S N -0.157 115.513 115.700 -0.050 0.000 3.544 420 S HA 0.580 5.050 4.470 -0.000 0.000 0.227 420 S C 0.026 174.611 174.600 -0.024 0.000 1.387 420 S CA 0.107 58.290 58.200 -0.029 0.000 1.182 420 S CB -1.025 62.157 63.200 -0.030 0.000 1.243 420 S HN 1.173 nan 8.310 nan 0.000 0.467 421 A N 1.366 124.179 122.820 -0.011 0.000 2.515 421 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 421 A C -1.187 176.437 177.584 0.066 0.000 1.059 421 A CA -0.853 51.189 52.037 0.009 0.000 0.698 421 A CB 0.831 19.803 19.000 -0.046 0.000 1.289 421 A HN 0.559 nan 8.150 nan 0.000 0.404 422 Y N 3.149 123.427 120.300 -0.037 0.000 2.613 422 Y HA 0.452 5.002 4.550 -0.000 0.000 0.354 422 Y C -0.079 175.803 175.900 -0.030 0.000 1.063 422 Y CA -0.577 57.505 58.100 -0.029 0.000 1.384 422 Y CB 0.391 38.838 38.460 -0.022 0.000 1.199 422 Y HN 0.880 nan 8.280 nan 0.000 0.517 423 V N 4.336 124.060 119.914 -0.316 0.000 2.656 423 V HA 0.716 4.836 4.120 -0.000 0.000 0.307 423 V C -1.225 174.660 176.094 -0.348 0.000 1.051 423 V CA -1.090 60.992 62.300 -0.365 0.000 0.893 423 V CB 2.110 33.824 31.823 -0.182 0.000 0.999 423 V HN 0.491 nan 8.190 nan 0.000 0.426 424 K N 5.027 125.220 120.400 -0.345 0.000 2.397 424 K HA 0.609 4.929 4.320 -0.000 0.000 0.253 424 K C -1.223 175.297 176.600 -0.133 0.000 0.932 424 K CA -0.391 55.767 56.287 -0.214 0.000 0.795 424 K CB 2.590 34.955 32.500 -0.224 0.000 1.159 424 K HN 0.831 nan 8.250 nan 0.000 0.424 425 I N 5.199 125.721 120.570 -0.081 0.000 2.347 425 I HA 0.198 4.368 4.170 -0.000 0.000 0.283 425 I C 0.268 176.363 176.117 -0.037 0.000 1.058 425 I CA -0.643 60.625 61.300 -0.054 0.000 1.202 425 I CB 0.477 38.457 38.000 -0.033 0.000 1.386 425 I HN 0.301 nan 8.210 nan 0.000 0.475 426 L N 4.392 125.592 121.223 -0.038 0.000 2.483 426 L HA 0.174 4.514 4.340 -0.000 0.000 0.276 426 L C 0.741 177.600 176.870 -0.018 0.000 1.213 426 L CA 0.438 55.263 54.840 -0.025 0.000 0.843 426 L CB 0.536 42.580 42.059 -0.025 0.000 1.107 426 L HN 0.533 nan 8.230 nan 0.000 0.487 427 S N 0.000 115.692 115.700 -0.013 0.000 2.498 427 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 427 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 427 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 427 S HN 0.000 nan 8.310 nan 0.000 0.517