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 1n9g_1_E DATA FIRST_RESID 23 DATA SEQUENCE MITAQAVLYT QHGEPKDVLF TQSFEIDDDN LAPNEVIVKT LGSPVNPSDI DATA SEQUENCE NQIQGVYPSK PAKTTGFGTT EPAAPCGNEG LFEVIKVGSN VSSLEAGDWV DATA SEQUENCE IPSHVNFGTW RTHALGNDDD FIKLPNPAQS KANGKPNGLT INQGATISVN DATA SEQUENCE PLTAYLMLTH YVKLTPGKDW FIQNGGTSAV GKYASQIGKL LNFNSISVIR DATA SEQUENCE DRPNLDEVVA SLKELGATQV ITEDQNNSRE FGPTIKEWIK QSGGEAKLAL DATA SEQUENCE NCVGGKSSTG IARKLNNNGL MLTYGGMSFQ PVTIPTSLYI FKNFTSAGFW DATA SEQUENCE VTELLKNNKE LKTSTLNQII AWYEEGKLTD AKSIETLYDG TKPLHELYQD DATA SEQUENCE GVANSKDGKQ LITY 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 23 M HA 0.000 nan 4.480 nan 0.000 0.227 23 M C 0.000 176.250 176.300 -0.083 0.000 1.140 23 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 23 M CB 0.000 32.575 32.600 -0.042 0.000 1.302 24 I N 1.930 122.419 120.570 -0.134 0.000 2.312 24 I HA 0.294 4.463 4.170 -0.000 0.000 0.290 24 I C -0.244 175.718 176.117 -0.258 0.000 1.008 24 I CA -0.380 60.781 61.300 -0.231 0.000 1.226 24 I CB 1.805 39.589 38.000 -0.359 0.000 1.371 24 I HN 0.526 nan 8.210 nan 0.000 0.468 25 T N 6.303 120.738 114.554 -0.198 0.000 2.749 25 T HA 0.571 4.920 4.350 -0.000 0.000 0.295 25 T C 0.156 174.739 174.700 -0.196 0.000 0.936 25 T CA -0.374 61.624 62.100 -0.171 0.000 1.060 25 T CB 0.960 69.796 68.868 -0.053 0.000 0.904 25 T HN 0.696 nan 8.240 nan 0.000 0.500 26 A N 3.679 126.299 122.820 -0.334 0.000 2.387 26 A HA 0.840 5.160 4.320 -0.000 0.000 0.303 26 A C -0.811 176.768 177.584 -0.007 0.000 1.145 26 A CA -0.903 51.022 52.037 -0.188 0.000 0.801 26 A CB 1.345 20.007 19.000 -0.562 0.000 1.342 26 A HN 0.682 nan 8.150 nan 0.000 0.440 27 Q N -0.010 119.950 119.800 0.268 0.000 2.372 27 Q HA 0.724 5.064 4.340 -0.000 0.000 0.273 27 Q C -0.970 175.280 176.000 0.417 0.000 1.078 27 Q CA -0.724 55.304 55.803 0.376 0.000 0.806 27 Q CB 1.968 30.871 28.738 0.275 0.000 1.332 27 Q HN 1.078 nan 8.270 nan 0.000 0.435 28 A N 1.738 124.744 122.820 0.311 0.000 2.350 28 A HA 0.652 4.972 4.320 -0.000 0.000 0.324 28 A C -0.485 176.989 177.584 -0.184 0.000 1.118 28 A CA -0.749 51.271 52.037 -0.028 0.000 0.783 28 A CB 1.620 20.315 19.000 -0.508 0.000 1.236 28 A HN 0.481 nan 8.150 nan 0.000 0.457 29 V N 3.341 123.145 119.914 -0.183 0.000 2.432 29 V HA 0.362 4.482 4.120 -0.000 0.000 0.271 29 V C -0.016 175.832 176.094 -0.409 0.000 1.046 29 V CA 0.318 62.492 62.300 -0.209 0.000 0.945 29 V CB -0.077 31.726 31.823 -0.033 0.000 0.992 29 V HN 0.687 nan 8.190 nan 0.000 0.471 30 L N 5.578 126.393 121.223 -0.680 0.000 2.309 30 L HA 0.737 5.077 4.340 -0.000 0.000 0.261 30 L C -0.938 175.564 176.870 -0.612 0.000 1.021 30 L CA -1.004 53.367 54.840 -0.782 0.000 0.823 30 L CB 2.270 43.732 42.059 -0.996 0.000 1.366 30 L HN 0.728 nan 8.230 nan 0.000 0.423 31 Y N -2.598 117.470 120.300 -0.386 0.000 2.553 31 Y HA 0.576 5.126 4.550 -0.000 0.000 0.347 31 Y C 0.423 176.308 175.900 -0.025 0.000 1.019 31 Y CA -0.662 57.368 58.100 -0.117 0.000 1.032 31 Y CB 1.496 39.889 38.460 -0.112 0.000 1.284 31 Y HN 0.556 nan 8.280 nan 0.000 0.466 32 T N -2.105 112.558 114.554 0.182 0.000 3.014 32 T HA 0.150 4.500 4.350 -0.000 0.000 0.250 32 T C 0.035 174.772 174.700 0.062 0.000 1.060 32 T CA 0.462 62.592 62.100 0.051 0.000 1.040 32 T CB -0.013 68.906 68.868 0.085 0.000 0.971 32 T HN 0.805 nan 8.240 nan 0.000 0.497 33 Q N 0.318 120.215 119.800 0.160 0.000 2.359 33 Q HA 0.362 4.702 4.340 -0.000 0.000 0.274 33 Q C -1.420 174.645 176.000 0.108 0.000 1.074 33 Q CA -1.029 54.840 55.803 0.110 0.000 0.810 33 Q CB 1.179 29.971 28.738 0.090 0.000 1.342 33 Q HN 0.244 nan 8.270 nan 0.000 0.427 34 H N 0.792 119.951 119.070 0.149 0.000 2.815 34 H HA 0.509 5.065 4.556 -0.000 0.000 0.350 34 H C 0.334 175.643 175.328 -0.031 0.000 1.080 34 H CA 1.560 57.596 56.048 -0.021 0.000 1.433 34 H CB 1.395 31.163 29.762 0.010 0.000 1.432 34 H HN 0.937 nan 8.280 nan 0.000 0.592 35 G N 2.088 110.909 108.800 0.035 0.000 2.335 35 G HA2 0.013 3.972 3.960 -0.000 0.000 0.291 35 G HA3 0.013 3.972 3.960 -0.000 0.000 0.291 35 G C -1.178 173.721 174.900 -0.002 0.000 1.261 35 G CA -0.780 44.339 45.100 0.032 0.000 0.871 35 G HN 0.373 nan 8.290 nan 0.000 0.491 36 E N 0.994 121.205 120.200 0.019 0.000 2.344 36 E HA 0.241 4.591 4.350 -0.000 0.000 0.270 36 E C -1.581 175.039 176.600 0.033 0.000 1.021 36 E CA -1.631 54.784 56.400 0.025 0.000 0.887 36 E CB 1.626 31.345 29.700 0.032 0.000 0.997 36 E HN 0.032 nan 8.360 nan 0.000 0.429 37 P HA -0.256 nan 4.420 nan 0.000 0.217 37 P C 1.197 178.562 177.300 0.110 0.000 1.151 37 P CA 1.968 65.121 63.100 0.089 0.000 0.849 37 P CB 0.145 31.930 31.700 0.141 0.000 0.787 38 K N -1.292 119.162 120.400 0.090 0.000 2.280 38 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 38 K C 1.081 177.737 176.600 0.093 0.000 1.047 38 K CA 1.673 58.014 56.287 0.090 0.000 0.942 38 K CB -0.498 32.040 32.500 0.063 0.000 0.739 38 K HN 0.125 nan 8.250 nan 0.000 0.457 39 D N 0.766 121.214 120.400 0.080 0.000 2.431 39 D HA -0.042 4.598 4.640 -0.000 0.000 0.235 39 D C 1.955 178.310 176.300 0.092 0.000 0.980 39 D CA 1.264 55.309 54.000 0.075 0.000 0.912 39 D CB 0.569 41.402 40.800 0.056 0.000 1.056 39 D HN 0.254 nan 8.370 nan 0.000 0.494 40 V N -1.265 118.708 119.914 0.098 0.000 3.644 40 V HA 0.291 4.411 4.120 -0.000 0.000 0.267 40 V C 0.842 177.058 176.094 0.203 0.000 1.277 40 V CA -0.149 62.230 62.300 0.132 0.000 1.096 40 V CB -0.166 31.710 31.823 0.090 0.000 0.828 40 V HN -0.089 nan 8.190 nan 0.000 0.446 41 L N 2.486 123.805 121.223 0.161 0.000 2.371 41 L HA 0.593 4.933 4.340 -0.000 0.000 0.272 41 L C -0.187 176.718 176.870 0.058 0.000 1.124 41 L CA -0.340 54.574 54.840 0.122 0.000 0.816 41 L CB 1.108 43.271 42.059 0.173 0.000 1.129 41 L HN 0.514 nan 8.230 nan 0.000 0.448 42 F N -0.545 119.288 119.950 -0.194 0.000 2.664 42 F HA 0.655 5.182 4.527 -0.000 0.000 0.317 42 F C -0.597 175.056 175.800 -0.245 0.000 1.108 42 F CA -0.903 56.797 58.000 -0.499 0.000 0.957 42 F CB 1.467 40.292 39.000 -0.292 0.000 1.365 42 F HN 0.129 nan 8.300 nan 0.000 0.475 43 T N 1.463 116.007 114.554 -0.016 0.000 2.794 43 T HA 0.464 4.814 4.350 -0.000 0.000 0.280 43 T C -1.113 173.719 174.700 0.219 0.000 0.987 43 T CA -0.394 61.777 62.100 0.119 0.000 0.993 43 T CB 1.377 70.438 68.868 0.322 0.000 0.939 43 T HN 0.684 nan 8.240 nan 0.000 0.449 44 Q N 1.792 121.667 119.800 0.125 0.000 2.331 44 Q HA 0.513 4.853 4.340 -0.000 0.000 0.267 44 Q C -0.883 175.302 176.000 0.308 0.000 1.006 44 Q CA -0.338 55.608 55.803 0.239 0.000 0.818 44 Q CB 1.351 30.196 28.738 0.179 0.000 1.276 44 Q HN 0.575 nan 8.270 nan 0.000 0.450 45 S N 4.535 120.415 115.700 0.301 0.000 2.513 45 S HA 0.683 5.153 4.470 -0.000 0.000 0.276 45 S C -0.909 173.925 174.600 0.389 0.000 1.254 45 S CA -0.412 57.970 58.200 0.303 0.000 1.053 45 S CB -0.127 63.189 63.200 0.193 0.000 0.958 45 S HN 0.506 nan 8.310 nan 0.000 0.491 46 F N 0.387 120.430 119.950 0.155 0.000 2.664 46 F HA 0.743 5.270 4.527 -0.000 0.000 0.317 46 F C -0.646 175.208 175.800 0.091 0.000 1.108 46 F CA -1.249 56.833 58.000 0.138 0.000 0.957 46 F CB 1.252 40.376 39.000 0.207 0.000 1.365 46 F HN 0.308 nan 8.300 nan 0.000 0.475 47 E N 1.779 122.003 120.200 0.041 0.000 2.199 47 E HA 0.578 4.928 4.350 -0.000 0.000 0.269 47 E C -1.267 175.308 176.600 -0.042 0.000 0.899 47 E CA -0.799 55.545 56.400 -0.094 0.000 0.772 47 E CB 2.905 32.595 29.700 -0.017 0.000 1.155 47 E HN 0.526 nan 8.360 nan 0.000 0.408 48 I N 1.943 122.435 120.570 -0.129 0.000 2.406 48 I HA 0.144 4.313 4.170 -0.000 0.000 0.290 48 I C -0.417 175.672 176.117 -0.047 0.000 0.999 48 I CA -0.695 60.576 61.300 -0.047 0.000 1.124 48 I CB 1.505 39.471 38.000 -0.058 0.000 1.289 48 I HN 0.387 nan 8.210 nan 0.000 0.441 49 D N 6.132 126.524 120.400 -0.013 0.000 2.494 49 D HA 0.012 4.652 4.640 -0.000 0.000 0.217 49 D C 0.816 177.112 176.300 -0.008 0.000 1.153 49 D CA -0.168 53.825 54.000 -0.013 0.000 0.954 49 D CB 0.544 41.342 40.800 -0.004 0.000 1.034 49 D HN 0.506 nan 8.370 nan 0.000 0.518 50 D N 1.352 121.741 120.400 -0.018 0.000 2.378 50 D HA -0.124 4.516 4.640 -0.000 0.000 0.227 50 D C 0.522 176.821 176.300 -0.002 0.000 1.012 50 D CA 0.197 54.192 54.000 -0.008 0.000 0.905 50 D CB 0.326 41.116 40.800 -0.017 0.000 0.895 50 D HN 0.248 nan 8.370 nan 0.000 0.532 51 D N -0.035 120.362 120.400 -0.004 0.000 2.277 51 D HA -0.043 4.597 4.640 -0.000 0.000 0.209 51 D C 0.533 176.834 176.300 0.002 0.000 0.970 51 D CA 0.435 54.434 54.000 -0.001 0.000 0.874 51 D CB -0.082 40.716 40.800 -0.003 0.000 0.982 51 D HN 0.040 nan 8.370 nan 0.000 0.504 52 N N 0.489 119.191 118.700 0.002 0.000 3.209 52 N HA 0.134 4.874 4.740 -0.000 0.000 0.309 52 N C -1.406 174.108 175.510 0.007 0.000 1.384 52 N CA -0.180 52.872 53.050 0.003 0.000 1.173 52 N CB -0.100 38.388 38.487 0.001 0.000 1.460 52 N HN -0.057 nan 8.380 nan 0.000 0.534 53 L N 1.266 122.495 121.223 0.010 0.000 2.257 53 L HA 0.625 4.965 4.340 -0.000 0.000 0.290 53 L C 0.247 177.126 176.870 0.015 0.000 1.044 53 L CA -0.583 54.266 54.840 0.015 0.000 0.810 53 L CB 0.798 42.868 42.059 0.019 0.000 1.193 53 L HN 0.268 nan 8.230 nan 0.000 0.425 54 A N 6.651 129.481 122.820 0.016 0.000 2.448 54 A HA 0.362 4.682 4.320 -0.000 0.000 0.239 54 A C -1.547 176.048 177.584 0.017 0.000 1.080 54 A CA -0.641 51.405 52.037 0.014 0.000 0.779 54 A CB -0.458 18.550 19.000 0.013 0.000 1.026 54 A HN 0.766 nan 8.150 nan 0.000 0.499 55 P HA -0.128 nan 4.420 nan 0.000 0.216 55 P C 0.743 178.055 177.300 0.020 0.000 1.153 55 P CA 1.444 64.553 63.100 0.014 0.000 0.858 55 P CB 0.074 31.780 31.700 0.010 0.000 0.789 56 N N -0.832 117.882 118.700 0.023 0.000 2.336 56 N HA 0.023 4.763 4.740 -0.000 0.000 0.189 56 N C 0.416 175.955 175.510 0.047 0.000 1.113 56 N CA 0.324 53.392 53.050 0.030 0.000 0.858 56 N CB 0.238 38.739 38.487 0.023 0.000 0.970 56 N HN 0.370 nan 8.380 nan 0.000 0.471 57 E N 0.332 120.561 120.200 0.048 0.000 2.318 57 E HA 0.399 4.749 4.350 -0.000 0.000 0.265 57 E C -0.774 175.874 176.600 0.081 0.000 1.069 57 E CA -0.302 56.140 56.400 0.070 0.000 0.893 57 E CB 1.698 31.432 29.700 0.057 0.000 1.076 57 E HN -0.232 nan 8.360 nan 0.000 0.414 58 V N 3.561 123.549 119.914 0.122 0.000 2.733 58 V HA 0.362 4.481 4.120 -0.000 0.000 0.306 58 V C -0.622 175.537 176.094 0.107 0.000 1.084 58 V CA -0.641 61.715 62.300 0.094 0.000 0.905 58 V CB 1.729 33.608 31.823 0.093 0.000 1.010 58 V HN 0.532 nan 8.190 nan 0.000 0.424 59 I N 4.886 125.486 120.570 0.050 0.000 2.412 59 I HA 0.700 4.870 4.170 -0.000 0.000 0.296 59 I C -0.314 175.810 176.117 0.012 0.000 0.987 59 I CA -0.858 60.483 61.300 0.069 0.000 1.180 59 I CB 1.951 39.991 38.000 0.067 0.000 1.340 59 I HN 0.529 nan 8.210 nan 0.000 0.455 60 V N 2.902 122.842 119.914 0.043 0.000 2.914 60 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 60 V C -0.771 175.444 176.094 0.202 0.000 1.084 60 V CA -0.917 61.398 62.300 0.025 0.000 0.963 60 V CB 1.839 33.550 31.823 -0.186 0.000 1.025 60 V HN 0.829 nan 8.190 nan 0.000 0.432 61 K N 0.868 121.368 120.400 0.167 0.000 2.207 61 K HA 0.657 4.977 4.320 -0.000 0.000 0.255 61 K C -0.432 176.172 176.600 0.005 0.000 0.941 61 K CA -0.358 55.953 56.287 0.040 0.000 0.825 61 K CB 1.783 34.277 32.500 -0.011 0.000 1.119 61 K HN 0.676 nan 8.250 nan 0.000 0.430 62 T N 3.661 118.085 114.554 -0.217 0.000 2.901 62 T HA 0.135 4.485 4.350 -0.000 0.000 0.301 62 T C 1.088 175.495 174.700 -0.488 0.000 1.012 62 T CA -0.434 61.333 62.100 -0.555 0.000 1.135 62 T CB 0.516 68.807 68.868 -0.961 0.000 0.936 62 T HN 0.558 nan 8.240 nan 0.000 0.539 63 L N 1.593 122.554 121.223 -0.436 0.000 2.316 63 L HA 0.420 4.760 4.340 -0.000 0.000 0.207 63 L C 1.323 178.144 176.870 -0.081 0.000 1.070 63 L CA 0.059 54.753 54.840 -0.244 0.000 0.820 63 L CB 0.032 41.850 42.059 -0.401 0.000 0.992 63 L HN 0.814 nan 8.230 nan 0.000 0.466 64 G N -0.646 108.053 108.800 -0.168 0.000 2.579 64 G HA2 0.463 4.423 3.960 -0.000 0.000 0.292 64 G HA3 0.463 4.423 3.960 -0.000 0.000 0.292 64 G C -1.546 173.331 174.900 -0.038 0.000 1.484 64 G CA -0.163 44.961 45.100 0.040 0.000 0.813 64 G HN -0.036 nan 8.290 nan 0.000 0.515 65 S N 0.748 116.529 115.700 0.136 0.000 2.546 65 S HA 0.846 5.316 4.470 -0.000 0.000 0.272 65 S C -3.239 171.493 174.600 0.220 0.000 1.140 65 S CA -1.302 57.009 58.200 0.186 0.000 0.920 65 S CB 3.270 66.669 63.200 0.331 0.000 1.083 65 S HN 0.629 nan 8.310 nan 0.000 0.476 66 P HA 0.447 nan 4.420 nan 0.000 0.281 66 P C -0.908 176.605 177.300 0.355 0.000 1.264 66 P CA -0.700 62.522 63.100 0.204 0.000 0.824 66 P CB 0.940 32.751 31.700 0.184 0.000 1.092 67 V N 2.880 122.938 119.914 0.240 0.000 2.348 67 V HA 0.257 4.377 4.120 -0.000 0.000 0.270 67 V C 0.296 176.563 176.094 0.288 0.000 1.037 67 V CA -0.373 62.143 62.300 0.360 0.000 0.872 67 V CB -0.009 31.908 31.823 0.157 0.000 1.002 67 V HN 0.500 nan 8.190 nan 0.000 0.464 68 N N 6.097 124.989 118.700 0.319 0.000 2.417 68 N HA 0.420 5.160 4.740 -0.000 0.000 0.300 68 N C -1.898 173.711 175.510 0.164 0.000 1.102 68 N CA -1.871 51.308 53.050 0.216 0.000 0.886 68 N CB 2.122 40.727 38.487 0.197 0.000 1.203 68 N HN 0.146 nan 8.380 nan 0.000 0.496 69 P HA -0.199 nan 4.420 nan 0.000 0.217 69 P C 1.277 178.583 177.300 0.010 0.000 1.151 69 P CA 1.757 64.910 63.100 0.089 0.000 0.849 69 P CB 0.243 32.002 31.700 0.100 0.000 0.787 70 S N -0.994 114.689 115.700 -0.028 0.000 2.370 70 S HA -0.212 4.258 4.470 -0.000 0.000 0.226 70 S C 1.696 176.030 174.600 -0.444 0.000 1.033 70 S CA 1.589 59.592 58.200 -0.329 0.000 1.011 70 S CB -1.407 61.653 63.200 -0.233 0.000 0.852 70 S HN 0.125 nan 8.310 nan 0.000 0.457 71 D N 1.896 122.177 120.400 -0.199 0.000 2.104 71 D HA -0.028 4.612 4.640 -0.000 0.000 0.194 71 D C 1.991 178.167 176.300 -0.207 0.000 0.994 71 D CA 1.280 55.135 54.000 -0.243 0.000 0.830 71 D CB -0.394 40.321 40.800 -0.141 0.000 0.959 71 D HN 0.454 nan 8.370 nan 0.000 0.452 72 I N 1.124 121.670 120.570 -0.040 0.000 2.202 72 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 72 I C 1.940 178.025 176.117 -0.053 0.000 1.091 72 I CA 1.021 62.328 61.300 0.011 0.000 1.368 72 I CB -0.317 37.736 38.000 0.087 0.000 1.058 72 I HN -0.026 nan 8.210 nan 0.000 0.410 73 N N 0.140 118.796 118.700 -0.073 0.000 2.149 73 N HA -0.276 4.464 4.740 -0.000 0.000 0.188 73 N C 1.871 177.356 175.510 -0.041 0.000 1.019 73 N CA 0.934 53.962 53.050 -0.036 0.000 0.857 73 N CB -0.138 38.361 38.487 0.021 0.000 0.997 73 N HN 0.409 nan 8.380 nan 0.000 0.426 74 Q N 0.865 120.575 119.800 -0.150 0.000 2.084 74 Q HA -0.124 4.215 4.340 -0.000 0.000 0.202 74 Q C 1.966 177.959 176.000 -0.012 0.000 0.978 74 Q CA 1.193 56.972 55.803 -0.040 0.000 0.844 74 Q CB 0.046 28.706 28.738 -0.131 0.000 0.898 74 Q HN 0.422 nan 8.270 nan 0.000 0.426 75 I N 0.400 120.865 120.570 -0.174 0.000 2.252 75 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 75 I C 2.210 178.229 176.117 -0.164 0.000 1.102 75 I CA 1.194 62.240 61.300 -0.424 0.000 1.385 75 I CB -0.135 37.615 38.000 -0.416 0.000 1.064 75 I HN 0.250 nan 8.210 nan 0.000 0.414 76 Q N 0.438 120.194 119.800 -0.074 0.000 2.437 76 Q HA -0.045 4.295 4.340 -0.000 0.000 0.210 76 Q C 1.542 177.513 176.000 -0.047 0.000 0.972 76 Q CA 0.893 56.683 55.803 -0.021 0.000 0.903 76 Q CB 0.055 28.795 28.738 0.002 0.000 0.967 76 Q HN 0.692 nan 8.270 nan 0.000 0.486 77 G N 0.365 109.051 108.800 -0.190 0.000 2.157 77 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.248 77 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.248 77 G C 0.523 175.279 174.900 -0.239 0.000 0.979 77 G CA 0.321 45.095 45.100 -0.543 0.000 0.650 77 G HN 0.508 nan 8.290 nan 0.000 0.529 78 V N -3.104 116.758 119.914 -0.085 0.000 3.121 78 V HA 0.712 4.832 4.120 -0.000 0.000 0.344 78 V C -0.027 176.086 176.094 0.033 0.000 1.390 78 V CA -0.497 61.781 62.300 -0.036 0.000 1.177 78 V CB -0.225 31.589 31.823 -0.014 0.000 1.163 78 V HN 0.679 nan 8.190 nan 0.000 0.484 79 Y N 2.795 123.035 120.300 -0.100 0.000 2.327 79 Y HA 0.697 5.246 4.550 -0.000 0.000 0.325 79 Y C -2.538 173.359 175.900 -0.005 0.000 0.999 79 Y CA -2.233 55.832 58.100 -0.058 0.000 1.195 79 Y CB 2.917 41.377 38.460 -0.001 0.000 1.132 79 Y HN 0.128 nan 8.280 nan 0.000 0.455 80 P HA 0.140 nan 4.420 nan 0.000 0.218 80 P C -0.844 176.511 177.300 0.092 0.000 1.793 80 P CA 0.275 63.354 63.100 -0.034 0.000 0.941 80 P CB 0.265 31.916 31.700 -0.080 0.000 1.919 81 S N 1.507 117.323 115.700 0.193 0.000 2.599 81 S HA 0.452 4.922 4.470 -0.000 0.000 0.269 81 S C -1.131 173.663 174.600 0.322 0.000 1.135 81 S CA -0.682 57.669 58.200 0.252 0.000 1.027 81 S CB 0.657 64.035 63.200 0.296 0.000 1.129 81 S HN 0.370 nan 8.310 nan 0.000 0.458 82 K N 3.511 124.035 120.400 0.207 0.000 2.556 82 K HA 0.678 4.998 4.320 -0.000 0.000 0.274 82 K C -3.265 173.402 176.600 0.112 0.000 0.966 82 K CA -1.916 54.487 56.287 0.193 0.000 0.865 82 K CB 1.432 34.089 32.500 0.261 0.000 1.444 82 K HN 0.362 nan 8.250 nan 0.000 0.433 83 P HA 0.102 nan 4.420 nan 0.000 0.274 83 P C -0.422 176.874 177.300 -0.005 0.000 1.231 83 P CA -0.290 62.814 63.100 0.008 0.000 0.790 83 P CB 0.797 32.471 31.700 -0.043 0.000 0.951 84 A N 2.998 125.804 122.820 -0.022 0.000 2.466 84 A HA 0.118 4.438 4.320 -0.000 0.000 0.238 84 A C 0.362 177.904 177.584 -0.069 0.000 1.074 84 A CA -0.030 51.989 52.037 -0.030 0.000 0.774 84 A CB -0.267 18.714 19.000 -0.032 0.000 1.015 84 A HN 0.474 nan 8.150 nan 0.000 0.498 85 K N 0.806 121.163 120.400 -0.072 0.000 2.234 85 K HA 0.493 4.812 4.320 -0.000 0.000 0.282 85 K C 0.094 176.655 176.600 -0.064 0.000 1.039 85 K CA 0.114 56.338 56.287 -0.105 0.000 0.928 85 K CB 1.146 33.581 32.500 -0.107 0.000 1.039 85 K HN 0.917 nan 8.250 nan 0.000 0.470 86 T N -2.230 112.292 114.554 -0.054 0.000 2.787 86 T HA 0.192 4.542 4.350 -0.000 0.000 0.297 86 T C 0.637 175.327 174.700 -0.015 0.000 1.221 86 T CA -0.800 61.276 62.100 -0.040 0.000 1.006 86 T CB 1.418 70.247 68.868 -0.064 0.000 1.328 86 T HN 0.504 nan 8.240 nan 0.000 0.509 87 T N -1.974 112.565 114.554 -0.025 0.000 3.188 87 T HA 0.310 4.660 4.350 -0.000 0.000 0.250 87 T C 2.014 176.692 174.700 -0.038 0.000 1.077 87 T CA 0.466 62.562 62.100 -0.008 0.000 0.967 87 T CB -0.596 68.267 68.868 -0.010 0.000 1.006 87 T HN 0.929 nan 8.240 nan 0.000 0.552 88 G N 1.027 109.757 108.800 -0.116 0.000 2.448 88 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.219 88 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.219 88 G C 0.774 175.431 174.900 -0.406 0.000 1.127 88 G CA 0.185 45.112 45.100 -0.288 0.000 0.766 88 G HN 0.599 nan 8.290 nan 0.000 0.552 89 F N 0.471 120.314 119.950 -0.177 0.000 2.797 89 F HA 0.341 4.868 4.527 -0.000 0.000 0.302 89 F C 1.892 177.677 175.800 -0.025 0.000 1.130 89 F CA 0.455 58.319 58.000 -0.227 0.000 1.387 89 F CB 0.528 39.303 39.000 -0.375 0.000 1.107 89 F HN 0.234 nan 8.300 nan 0.000 0.577 90 G N 1.101 109.970 108.800 0.114 0.000 2.130 90 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 90 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 90 G C 0.154 175.120 174.900 0.110 0.000 0.999 90 G CA 0.103 45.270 45.100 0.111 0.000 0.686 90 G HN 0.421 nan 8.290 nan 0.000 0.515 91 T N -3.317 111.302 114.554 0.108 0.000 2.943 91 T HA 0.683 5.032 4.350 -0.000 0.000 0.284 91 T C 1.207 175.933 174.700 0.043 0.000 1.015 91 T CA 0.556 62.708 62.100 0.085 0.000 1.042 91 T CB 2.173 71.117 68.868 0.126 0.000 1.055 91 T HN 0.041 nan 8.240 nan 0.000 0.500 92 T N 0.391 114.957 114.554 0.019 0.000 2.809 92 T HA 0.032 4.382 4.350 -0.000 0.000 0.260 92 T C 0.683 175.384 174.700 0.002 0.000 1.039 92 T CA 1.081 63.184 62.100 0.005 0.000 1.141 92 T CB -0.295 68.569 68.868 -0.006 0.000 0.869 92 T HN 0.783 nan 8.240 nan 0.000 0.437 93 E N 2.468 122.667 120.200 -0.002 0.000 2.290 93 E HA 0.185 4.535 4.350 -0.000 0.000 0.277 93 E C -2.671 173.935 176.600 0.009 0.000 1.035 93 E CA -2.472 53.927 56.400 -0.002 0.000 0.873 93 E CB 0.722 30.415 29.700 -0.012 0.000 1.029 93 E HN 0.069 nan 8.360 nan 0.000 0.419 94 P HA 0.073 nan 4.420 nan 0.000 0.262 94 P C -1.403 175.872 177.300 -0.042 0.000 1.182 94 P CA 0.297 63.386 63.100 -0.018 0.000 0.761 94 P CB 0.953 32.637 31.700 -0.027 0.000 0.795 95 A N 2.668 125.452 122.820 -0.060 0.000 2.469 95 A HA 0.835 5.155 4.320 -0.000 0.000 0.299 95 A C -1.076 176.337 177.584 -0.286 0.000 1.098 95 A CA -0.610 51.331 52.037 -0.160 0.000 0.737 95 A CB 1.779 20.740 19.000 -0.065 0.000 1.312 95 A HN 0.486 nan 8.150 nan 0.000 0.414 96 A N 1.755 124.215 122.820 -0.600 0.000 2.350 96 A HA 0.920 5.240 4.320 -0.000 0.000 0.324 96 A C -2.831 174.339 177.584 -0.690 0.000 1.118 96 A CA -1.850 49.802 52.037 -0.642 0.000 0.783 96 A CB 1.107 19.594 19.000 -0.856 0.000 1.236 96 A HN 0.580 nan 8.150 nan 0.000 0.457 97 P HA 0.525 nan 4.420 nan 0.000 0.279 97 P C -0.690 176.408 177.300 -0.338 0.000 1.276 97 P CA -0.380 62.419 63.100 -0.502 0.000 0.801 97 P CB 0.876 32.316 31.700 -0.434 0.000 1.127 98 C N -1.326 117.752 119.300 -0.370 0.000 2.667 98 C HA 0.904 5.364 4.460 -0.000 0.000 0.323 98 C C 0.430 174.881 174.990 -0.899 0.000 1.214 98 C CA 0.417 59.083 59.018 -0.586 0.000 1.721 98 C CB 0.664 27.994 27.740 -0.683 0.000 2.275 98 C HN 0.989 nan 8.230 nan 0.000 0.491 99 G N 2.425 110.497 108.800 -1.213 0.000 2.879 99 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 99 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 99 G C -0.363 174.391 174.900 -0.243 0.000 1.115 99 G CA -0.364 44.169 45.100 -0.944 0.000 0.770 99 G HN 0.809 nan 8.290 nan 0.000 0.601 100 N N 0.291 118.956 118.700 -0.058 0.000 2.210 100 N HA 0.087 4.827 4.740 -0.000 0.000 0.203 100 N C 0.694 176.298 175.510 0.156 0.000 1.175 100 N CA 1.068 54.157 53.050 0.065 0.000 0.894 100 N CB 1.145 39.660 38.487 0.046 0.000 1.041 100 N HN 0.948 nan 8.380 nan 0.000 0.506 101 E N -0.457 119.857 120.200 0.190 0.000 2.393 101 E HA 0.710 5.060 4.350 -0.000 0.000 0.273 101 E C -0.657 176.083 176.600 0.232 0.000 0.918 101 E CA -1.058 55.467 56.400 0.210 0.000 0.773 101 E CB 2.719 32.517 29.700 0.164 0.000 1.275 101 E HN -0.058 nan 8.360 nan 0.000 0.451 102 G N 0.459 109.370 108.800 0.185 0.000 2.325 102 G HA2 0.372 4.332 3.960 -0.000 0.000 0.297 102 G HA3 0.372 4.332 3.960 -0.000 0.000 0.297 102 G C -2.260 172.565 174.900 -0.124 0.000 1.448 102 G CA -0.799 44.299 45.100 -0.003 0.000 0.838 102 G HN 0.512 nan 8.290 nan 0.000 0.579 103 L N -0.044 120.946 121.223 -0.388 0.000 2.322 103 L HA 0.937 5.277 4.340 -0.000 0.000 0.281 103 L C -1.325 175.145 176.870 -0.665 0.000 1.014 103 L CA -0.904 53.709 54.840 -0.378 0.000 0.815 103 L CB 0.977 42.777 42.059 -0.431 0.000 1.247 103 L HN 0.428 nan 8.230 nan 0.000 0.421 104 F N 2.060 121.891 119.950 -0.198 0.000 2.593 104 F HA 0.538 5.065 4.527 -0.000 0.000 0.320 104 F C -0.134 175.531 175.800 -0.226 0.000 1.060 104 F CA -0.681 57.205 58.000 -0.191 0.000 0.940 104 F CB 1.777 40.708 39.000 -0.115 0.000 1.268 104 F HN 0.445 nan 8.300 nan 0.000 0.475 105 E N 1.094 121.310 120.200 0.026 0.000 2.158 105 E HA 0.512 4.862 4.350 -0.000 0.000 0.271 105 E C -1.467 175.156 176.600 0.039 0.000 0.911 105 E CA -0.698 55.741 56.400 0.065 0.000 0.767 105 E CB 1.639 31.394 29.700 0.093 0.000 1.120 105 E HN 0.436 nan 8.360 nan 0.000 0.405 106 V N 7.157 127.076 119.914 0.008 0.000 2.479 106 V HA -0.005 4.115 4.120 -0.000 0.000 0.281 106 V C 1.305 177.406 176.094 0.011 0.000 1.031 106 V CA 0.439 62.707 62.300 -0.053 0.000 1.038 106 V CB 0.340 32.118 31.823 -0.076 0.000 0.981 106 V HN 0.709 nan 8.190 nan 0.000 0.478 107 I N 1.645 122.226 120.570 0.018 0.000 3.339 107 I HA 0.428 4.598 4.170 -0.000 0.000 0.285 107 I C 0.753 176.887 176.117 0.028 0.000 1.201 107 I CA 0.417 61.743 61.300 0.042 0.000 1.434 107 I CB 0.294 38.338 38.000 0.074 0.000 1.152 107 I HN 0.525 nan 8.210 nan 0.000 0.443 108 K N 1.724 122.134 120.400 0.017 0.000 2.557 108 K HA 0.570 4.890 4.320 -0.000 0.000 0.261 108 K C -1.311 175.296 176.600 0.011 0.000 0.932 108 K CA -0.665 55.630 56.287 0.015 0.000 0.829 108 K CB 2.996 35.507 32.500 0.019 0.000 1.358 108 K HN 0.093 nan 8.250 nan 0.000 0.430 109 V N -0.186 119.735 119.914 0.012 0.000 3.001 109 V HA 0.881 5.001 4.120 -0.000 0.000 0.314 109 V C 0.176 176.281 176.094 0.019 0.000 1.099 109 V CA -0.452 61.858 62.300 0.016 0.000 0.989 109 V CB 1.548 33.378 31.823 0.012 0.000 1.040 109 V HN 0.811 nan 8.190 nan 0.000 0.434 110 G N 1.148 109.962 108.800 0.024 0.000 2.616 110 G HA2 0.390 4.350 3.960 -0.000 0.000 0.268 110 G HA3 0.390 4.350 3.960 -0.000 0.000 0.268 110 G C 1.034 175.944 174.900 0.016 0.000 1.213 110 G CA 0.121 45.234 45.100 0.021 0.000 0.926 110 G HN 1.693 nan 8.290 nan 0.000 0.523 111 S N -0.889 114.819 115.700 0.013 0.000 2.447 111 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 111 S C 1.588 176.194 174.600 0.010 0.000 1.006 111 S CA 1.374 59.580 58.200 0.010 0.000 0.957 111 S CB -0.121 63.084 63.200 0.008 0.000 0.773 111 S HN 0.547 nan 8.310 nan 0.000 0.507 112 N N 0.514 119.222 118.700 0.012 0.000 2.235 112 N HA 0.187 4.927 4.740 -0.000 0.000 0.209 112 N C -0.860 174.658 175.510 0.014 0.000 1.122 112 N CA -0.103 52.954 53.050 0.011 0.000 0.845 112 N CB 0.567 39.060 38.487 0.010 0.000 1.004 112 N HN 0.215 nan 8.380 nan 0.000 0.499 113 V N 1.447 121.371 119.914 0.017 0.000 2.385 113 V HA 0.199 4.319 4.120 -0.000 0.000 0.269 113 V C 0.952 177.055 176.094 0.015 0.000 1.043 113 V CA -0.080 62.232 62.300 0.020 0.000 0.906 113 V CB 1.134 32.973 31.823 0.027 0.000 0.995 113 V HN 0.394 nan 8.190 nan 0.000 0.467 114 S N 1.771 117.479 115.700 0.013 0.000 2.520 114 S HA -0.042 4.428 4.470 -0.000 0.000 0.219 114 S C 1.807 176.413 174.600 0.009 0.000 1.028 114 S CA 0.432 58.637 58.200 0.009 0.000 0.921 114 S CB 0.177 63.381 63.200 0.006 0.000 0.844 114 S HN 0.769 nan 8.310 nan 0.000 0.495 115 S N 1.552 117.260 115.700 0.014 0.000 2.428 115 S HA 0.289 4.759 4.470 -0.000 0.000 0.230 115 S C 0.536 175.145 174.600 0.015 0.000 1.014 115 S CA -0.108 58.100 58.200 0.015 0.000 0.957 115 S CB -0.573 62.639 63.200 0.020 0.000 0.784 115 S HN 0.507 nan 8.310 nan 0.000 0.499 116 L N 1.425 122.657 121.223 0.015 0.000 2.341 116 L HA 0.667 5.007 4.340 -0.000 0.000 0.267 116 L C -0.425 176.446 176.870 0.002 0.000 1.009 116 L CA -0.833 54.011 54.840 0.006 0.000 0.819 116 L CB 2.062 44.118 42.059 -0.004 0.000 1.323 116 L HN 0.392 nan 8.230 nan 0.000 0.425 117 E N 0.999 121.199 120.200 -0.000 0.000 2.449 117 E HA 0.670 5.019 4.350 -0.000 0.000 0.278 117 E C -1.226 175.377 176.600 0.004 0.000 0.992 117 E CA -1.180 55.221 56.400 0.001 0.000 0.807 117 E CB 1.856 31.557 29.700 0.002 0.000 1.350 117 E HN 0.548 nan 8.360 nan 0.000 0.462 118 A N 0.250 123.075 122.820 0.008 0.000 2.567 118 A HA 0.409 4.729 4.320 -0.000 0.000 0.240 118 A C 1.249 178.849 177.584 0.028 0.000 1.053 118 A CA 1.146 53.194 52.037 0.018 0.000 0.755 118 A CB -1.010 18.002 19.000 0.019 0.000 0.978 118 A HN 1.417 nan 8.150 nan 0.000 0.507 119 G N 2.157 110.987 108.800 0.051 0.000 2.234 119 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.235 119 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.235 119 G C 0.008 174.971 174.900 0.105 0.000 0.997 119 G CA 0.253 45.397 45.100 0.074 0.000 0.623 119 G HN 0.825 nan 8.290 nan 0.000 0.514 120 D N 0.346 120.796 120.400 0.082 0.000 2.443 120 D HA 0.363 5.003 4.640 -0.000 0.000 0.239 120 D C 0.390 176.850 176.300 0.267 0.000 1.136 120 D CA 0.084 54.145 54.000 0.102 0.000 0.879 120 D CB 0.306 41.135 40.800 0.049 0.000 1.195 120 D HN 0.202 nan 8.370 nan 0.000 0.443 121 W N 2.087 123.378 121.300 -0.015 0.000 2.315 121 W HA 0.405 5.065 4.660 -0.000 0.000 0.316 121 W C 0.085 176.606 176.519 0.003 0.000 1.211 121 W CA -0.829 56.516 57.345 -0.001 0.000 1.201 121 W CB 0.280 29.743 29.460 0.005 0.000 1.184 121 W HN 0.042 nan 8.180 nan 0.000 0.544 122 V N 2.788 122.816 119.914 0.190 0.000 3.147 122 V HA 0.769 4.889 4.120 -0.000 0.000 0.306 122 V C -0.673 175.559 176.094 0.231 0.000 1.209 122 V CA -1.516 60.872 62.300 0.146 0.000 1.023 122 V CB 1.707 33.526 31.823 -0.008 0.000 1.059 122 V HN 0.478 nan 8.190 nan 0.000 0.435 123 I N -1.033 119.679 120.570 0.236 0.000 2.957 123 I HA 0.854 5.024 4.170 -0.000 0.000 0.310 123 I C -2.810 173.432 176.117 0.208 0.000 1.063 123 I CA -2.879 58.583 61.300 0.270 0.000 1.033 123 I CB 2.165 40.258 38.000 0.154 0.000 1.230 123 I HN 0.385 nan 8.210 nan 0.000 0.447 124 P HA 0.068 nan 4.420 nan 0.000 0.268 124 P C 0.446 177.632 177.300 -0.191 0.000 1.204 124 P CA -0.117 62.844 63.100 -0.230 0.000 0.768 124 P CB 0.838 32.439 31.700 -0.164 0.000 0.842 125 S N 1.287 116.800 115.700 -0.312 0.000 2.522 125 S HA -0.010 4.460 4.470 -0.000 0.000 0.227 125 S C 0.584 174.846 174.600 -0.563 0.000 0.986 125 S CA 0.706 58.697 58.200 -0.348 0.000 0.929 125 S CB -0.563 62.442 63.200 -0.324 0.000 0.769 125 S HN 0.478 nan 8.310 nan 0.000 0.529 126 H N -0.210 118.770 119.070 -0.150 0.000 2.990 126 H HA 0.486 5.042 4.556 -0.000 0.000 0.343 126 H C -0.330 174.978 175.328 -0.032 0.000 1.270 126 H CA -0.558 55.437 56.048 -0.088 0.000 1.118 126 H CB 1.738 31.448 29.762 -0.087 0.000 1.861 126 H HN 0.159 nan 8.280 nan 0.000 0.544 127 V N -0.216 119.782 119.914 0.140 0.000 3.264 127 V HA 0.196 4.316 4.120 -0.000 0.000 0.304 127 V C 0.655 176.827 176.094 0.130 0.000 1.086 127 V CA -0.653 61.716 62.300 0.115 0.000 1.090 127 V CB 0.497 32.373 31.823 0.089 0.000 1.112 127 V HN 0.981 nan 8.190 nan 0.000 0.472 128 N N -1.113 117.657 118.700 0.116 0.000 2.850 128 N HA -0.243 4.496 4.740 -0.000 0.000 0.249 128 N C 0.031 175.596 175.510 0.092 0.000 1.060 128 N CA 1.399 54.499 53.050 0.082 0.000 0.825 128 N CB -1.760 36.767 38.487 0.066 0.000 1.132 128 N HN 0.903 nan 8.380 nan 0.000 0.564 129 F N 1.066 121.005 119.950 -0.019 0.000 2.206 129 F HA 0.216 4.743 4.527 -0.000 0.000 0.298 129 F C 1.522 177.318 175.800 -0.006 0.000 1.090 129 F CA 1.945 59.923 58.000 -0.035 0.000 1.323 129 F CB -0.047 38.919 39.000 -0.057 0.000 1.028 129 F HN 0.262 nan 8.300 nan 0.000 0.492 130 G N 0.506 109.287 108.800 -0.031 0.000 2.929 130 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.335 130 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.335 130 G C 0.404 175.362 174.900 0.098 0.000 1.054 130 G CA 0.176 45.207 45.100 -0.114 0.000 1.067 130 G HN 0.638 nan 8.290 nan 0.000 0.472 131 T N -2.473 112.193 114.554 0.187 0.000 3.023 131 T HA 0.198 4.548 4.350 -0.000 0.000 0.253 131 T C 0.574 175.522 174.700 0.414 0.000 1.038 131 T CA 0.249 62.613 62.100 0.441 0.000 0.962 131 T CB 0.226 69.367 68.868 0.455 0.000 1.018 131 T HN 0.544 nan 8.240 nan 0.000 0.521 132 W N 4.971 126.218 121.300 -0.088 0.000 1.664 132 W HA 0.545 5.205 4.660 -0.000 0.000 0.428 132 W C 0.677 177.103 176.519 -0.154 0.000 0.726 132 W CA -1.674 55.474 57.345 -0.327 0.000 1.774 132 W CB -1.114 27.807 29.460 -0.899 0.000 1.801 132 W HN 0.450 nan 8.180 nan 0.000 0.243 133 R N -1.757 118.879 120.500 0.226 0.000 2.741 133 R HA 0.394 4.734 4.340 -0.000 0.000 0.276 133 R C 0.650 176.992 176.300 0.070 0.000 1.028 133 R CA -0.348 55.874 56.100 0.203 0.000 0.865 133 R CB 0.469 30.898 30.300 0.216 0.000 1.268 133 R HN -0.058 nan 8.270 nan 0.000 0.475 134 T N -3.115 111.519 114.554 0.132 0.000 3.035 134 T HA 0.194 4.544 4.350 -0.000 0.000 0.259 134 T C 0.099 174.559 174.700 -0.400 0.000 1.078 134 T CA 0.780 62.798 62.100 -0.136 0.000 1.132 134 T CB -0.352 68.611 68.868 0.159 0.000 0.900 134 T HN 0.662 nan 8.240 nan 0.000 0.480 135 H N -0.319 118.864 119.070 0.188 0.000 3.014 135 H HA 0.750 5.306 4.556 -0.000 0.000 0.337 135 H C -1.007 174.515 175.328 0.323 0.000 1.320 135 H CA -0.563 55.614 56.048 0.214 0.000 1.128 135 H CB 1.863 31.683 29.762 0.097 0.000 1.862 135 H HN 0.417 nan 8.280 nan 0.000 0.536 136 A N 1.135 124.204 122.820 0.415 0.000 2.594 136 A HA 0.593 4.913 4.320 -0.000 0.000 0.295 136 A C -2.039 175.726 177.584 0.302 0.000 1.071 136 A CA -0.589 51.657 52.037 0.349 0.000 0.685 136 A CB 1.508 20.693 19.000 0.309 0.000 1.285 136 A HN 0.503 nan 8.150 nan 0.000 0.405 137 L N 1.534 122.908 121.223 0.253 0.000 2.325 137 L HA 0.880 5.220 4.340 -0.000 0.000 0.281 137 L C 0.216 177.228 176.870 0.236 0.000 1.004 137 L CA 0.709 55.675 54.840 0.211 0.000 0.823 137 L CB 1.350 43.485 42.059 0.127 0.000 1.236 137 L HN 1.206 nan 8.230 nan 0.000 0.415 138 G N 3.472 112.463 108.800 0.318 0.000 3.058 138 G HA2 0.398 4.357 3.960 -0.000 0.000 0.282 138 G HA3 0.398 4.357 3.960 -0.000 0.000 0.282 138 G C -1.281 173.736 174.900 0.195 0.000 1.248 138 G CA -0.907 44.347 45.100 0.256 0.000 0.822 138 G HN 0.637 nan 8.290 nan 0.000 0.579 139 N N -0.095 118.670 118.700 0.108 0.000 2.478 139 N HA 0.290 5.030 4.740 -0.000 0.000 0.275 139 N C 0.651 176.255 175.510 0.156 0.000 1.221 139 N CA -0.287 52.818 53.050 0.093 0.000 0.979 139 N CB 1.599 40.102 38.487 0.027 0.000 1.202 139 N HN 0.601 nan 8.380 nan 0.000 0.564 140 D N -0.003 120.478 120.400 0.135 0.000 2.178 140 D HA -0.197 4.443 4.640 -0.000 0.000 0.202 140 D C 0.811 177.184 176.300 0.122 0.000 0.974 140 D CA 1.288 55.388 54.000 0.167 0.000 0.841 140 D CB -0.372 40.484 40.800 0.094 0.000 0.953 140 D HN 0.631 nan 8.370 nan 0.000 0.478 141 D N 0.082 120.503 120.400 0.036 0.000 2.349 141 D HA -0.106 4.533 4.640 -0.000 0.000 0.224 141 D C 0.533 176.780 176.300 -0.088 0.000 1.029 141 D CA 0.180 54.176 54.000 -0.006 0.000 0.879 141 D CB -0.345 40.457 40.800 0.004 0.000 0.906 141 D HN 0.077 nan 8.370 nan 0.000 0.528 142 D N -0.594 119.655 120.400 -0.251 0.000 2.349 142 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 142 D C -0.282 175.432 176.300 -0.976 0.000 1.029 142 D CA 0.247 53.881 54.000 -0.610 0.000 0.879 142 D CB 0.052 40.314 40.800 -0.896 0.000 0.906 142 D HN 0.278 nan 8.370 nan 0.000 0.528 143 F N -0.244 119.585 119.950 -0.202 0.000 2.588 143 F HA 0.489 5.016 4.527 -0.000 0.000 0.314 143 F C -0.038 175.690 175.800 -0.119 0.000 1.069 143 F CA -1.131 56.748 58.000 -0.202 0.000 0.931 143 F CB 2.074 40.967 39.000 -0.178 0.000 1.260 143 F HN -0.402 nan 8.300 nan 0.000 0.465 144 I N 1.768 122.415 120.570 0.129 0.000 2.436 144 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 144 I C -0.555 175.616 176.117 0.091 0.000 1.010 144 I CA -0.907 60.431 61.300 0.063 0.000 1.098 144 I CB 2.091 40.095 38.000 0.006 0.000 1.266 144 I HN 0.477 nan 8.210 nan 0.000 0.434 145 K N 7.203 127.644 120.400 0.069 0.000 2.349 145 K HA 0.446 4.766 4.320 -0.000 0.000 0.288 145 K C -1.138 175.511 176.600 0.081 0.000 1.058 145 K CA -0.238 56.094 56.287 0.075 0.000 0.953 145 K CB 0.527 33.056 32.500 0.048 0.000 0.997 145 K HN 0.519 nan 8.250 nan 0.000 0.477 146 L N 6.479 127.780 121.223 0.131 0.000 2.334 146 L HA 0.474 4.813 4.340 -0.000 0.000 0.275 146 L C -1.978 174.962 176.870 0.117 0.000 1.036 146 L CA -2.678 52.243 54.840 0.136 0.000 0.807 146 L CB 1.343 43.526 42.059 0.207 0.000 1.231 146 L HN 0.608 nan 8.230 nan 0.000 0.438 147 P HA 0.016 nan 4.420 nan 0.000 0.266 147 P C -1.111 176.080 177.300 -0.181 0.000 1.215 147 P CA -0.232 62.840 63.100 -0.047 0.000 0.763 147 P CB 0.168 31.842 31.700 -0.044 0.000 0.806 148 N N 4.666 123.118 118.700 -0.414 0.000 2.381 148 N HA 0.125 4.865 4.740 -0.000 0.000 0.254 148 N C -1.985 173.093 175.510 -0.721 0.000 1.264 148 N CA -1.952 50.451 53.050 -1.078 0.000 0.942 148 N CB -0.981 36.678 38.487 -1.379 0.000 1.190 148 N HN 0.104 nan 8.380 nan 0.000 0.495 149 P HA -0.069 nan 4.420 nan 0.000 0.218 149 P C 0.819 177.969 177.300 -0.249 0.000 1.149 149 P CA 1.966 64.833 63.100 -0.388 0.000 0.817 149 P CB -0.060 31.456 31.700 -0.306 0.000 0.785 150 A N -0.449 122.217 122.820 -0.258 0.000 1.929 150 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 150 A C 2.180 179.682 177.584 -0.137 0.000 1.176 150 A CA 1.336 53.278 52.037 -0.159 0.000 0.628 150 A CB -1.067 17.851 19.000 -0.137 0.000 0.816 150 A HN 0.188 nan 8.150 nan 0.000 0.444 151 Q N -0.436 119.262 119.800 -0.170 0.000 2.123 151 Q HA -0.063 4.277 4.340 -0.000 0.000 0.199 151 Q C 2.341 178.282 176.000 -0.099 0.000 0.966 151 Q CA 1.513 57.242 55.803 -0.124 0.000 0.845 151 Q CB -0.127 28.532 28.738 -0.132 0.000 0.907 151 Q HN 0.609 nan 8.270 nan 0.000 0.439 152 S N 0.898 116.528 115.700 -0.117 0.000 2.383 152 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 152 S C 1.779 176.345 174.600 -0.056 0.000 1.026 152 S CA 1.125 59.279 58.200 -0.076 0.000 0.981 152 S CB -0.054 63.100 63.200 -0.077 0.000 0.818 152 S HN 0.202 nan 8.310 nan 0.000 0.472 153 K N 1.090 121.450 120.400 -0.067 0.000 2.155 153 K HA 0.124 4.444 4.320 -0.000 0.000 0.203 153 K C 2.040 178.616 176.600 -0.040 0.000 1.052 153 K CA 0.895 57.153 56.287 -0.048 0.000 0.948 153 K CB -0.194 32.275 32.500 -0.052 0.000 0.728 153 K HN 0.301 nan 8.250 nan 0.000 0.448 154 A N 0.688 123.479 122.820 -0.048 0.000 1.930 154 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 154 A C 0.697 178.261 177.584 -0.032 0.000 1.176 154 A CA 0.695 52.708 52.037 -0.039 0.000 0.632 154 A CB -0.502 18.471 19.000 -0.045 0.000 0.819 154 A HN 0.358 nan 8.150 nan 0.000 0.445 155 N N -1.043 117.636 118.700 -0.035 0.000 2.255 155 N HA 0.319 5.059 4.740 -0.000 0.000 0.253 155 N C 0.981 176.478 175.510 -0.021 0.000 1.313 155 N CA 0.304 53.339 53.050 -0.026 0.000 0.912 155 N CB 0.103 38.574 38.487 -0.027 0.000 1.145 155 N HN 0.193 nan 8.380 nan 0.000 0.511 156 G N -0.678 108.114 108.800 -0.013 0.000 3.284 156 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.236 156 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.236 156 G C -0.133 174.765 174.900 -0.003 0.000 1.158 156 G CA -0.102 44.993 45.100 -0.008 0.000 0.774 156 G HN 0.237 nan 8.290 nan 0.000 0.545 157 K N 1.310 121.707 120.400 -0.004 0.000 2.326 157 K HA 0.178 4.498 4.320 -0.000 0.000 0.275 157 K C -1.610 174.995 176.600 0.009 0.000 1.018 157 K CA -2.134 54.158 56.287 0.008 0.000 0.962 157 K CB 1.701 34.207 32.500 0.010 0.000 0.953 157 K HN -0.050 nan 8.250 nan 0.000 0.475 158 P HA -0.092 nan 4.420 nan 0.000 0.226 158 P C -0.481 176.832 177.300 0.022 0.000 1.153 158 P CA 1.007 64.118 63.100 0.019 0.000 0.777 158 P CB 0.452 32.169 31.700 0.027 0.000 0.794 159 N N -0.751 117.967 118.700 0.029 0.000 2.242 159 N HA 0.420 5.160 4.740 -0.000 0.000 0.292 159 N C -0.386 175.134 175.510 0.017 0.000 1.125 159 N CA -0.436 52.633 53.050 0.033 0.000 0.783 159 N CB 2.558 41.086 38.487 0.068 0.000 1.558 159 N HN -0.128 nan 8.380 nan 0.000 0.472 160 G N 0.625 109.422 108.800 -0.006 0.000 2.420 160 G HA2 0.535 4.495 3.960 -0.000 0.000 0.331 160 G HA3 0.535 4.495 3.960 -0.000 0.000 0.331 160 G C -0.319 174.570 174.900 -0.019 0.000 1.168 160 G CA -0.431 44.644 45.100 -0.043 0.000 0.936 160 G HN 0.277 nan 8.290 nan 0.000 0.479 161 L N 1.747 122.959 121.223 -0.017 0.000 2.525 161 L HA 0.208 4.548 4.340 -0.000 0.000 0.278 161 L C 1.726 178.684 176.870 0.146 0.000 1.218 161 L CA 0.131 54.987 54.840 0.027 0.000 0.878 161 L CB 0.471 42.610 42.059 0.134 0.000 1.127 161 L HN 0.736 nan 8.230 nan 0.000 0.492 162 T N 0.003 114.595 114.554 0.063 0.000 2.816 162 T HA 0.345 4.694 4.350 -0.000 0.000 0.282 162 T C 1.576 176.357 174.700 0.135 0.000 0.993 162 T CA -0.560 61.611 62.100 0.119 0.000 0.994 162 T CB 0.521 69.405 68.868 0.026 0.000 1.025 162 T HN 0.403 nan 8.240 nan 0.000 0.529 163 I N 1.103 121.715 120.570 0.070 0.000 2.163 163 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 163 I C 2.806 178.857 176.117 -0.110 0.000 1.085 163 I CA 1.769 62.989 61.300 -0.132 0.000 1.347 163 I CB -0.548 37.381 38.000 -0.118 0.000 1.044 163 I HN 0.741 nan 8.210 nan 0.000 0.408 164 N N 0.662 119.335 118.700 -0.045 0.000 2.120 164 N HA -0.227 4.513 4.740 -0.000 0.000 0.188 164 N C 1.875 177.381 175.510 -0.006 0.000 1.024 164 N CA 1.566 54.606 53.050 -0.017 0.000 0.852 164 N CB -0.047 38.447 38.487 0.011 0.000 1.003 164 N HN 0.322 nan 8.380 nan 0.000 0.424 165 Q N -0.906 118.855 119.800 -0.065 0.000 2.061 165 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 165 Q C 2.098 178.055 176.000 -0.072 0.000 0.984 165 Q CA 1.559 57.254 55.803 -0.180 0.000 0.846 165 Q CB -0.438 27.922 28.738 -0.630 0.000 0.902 165 Q HN 0.527 nan 8.270 nan 0.000 0.421 166 G N 0.380 109.154 108.800 -0.043 0.000 2.402 166 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 166 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 166 G C 1.442 176.329 174.900 -0.022 0.000 1.162 166 G CA 0.699 45.801 45.100 0.003 0.000 0.777 166 G HN 0.416 nan 8.290 nan 0.000 0.539 167 A N 0.399 123.178 122.820 -0.067 0.000 2.067 167 A HA 0.124 4.444 4.320 -0.000 0.000 0.219 167 A C 2.251 179.864 177.584 0.048 0.000 1.158 167 A CA 2.204 54.215 52.037 -0.044 0.000 0.661 167 A CB -0.417 18.540 19.000 -0.072 0.000 0.801 167 A HN 0.552 nan 8.150 nan 0.000 0.452 168 T N -3.957 110.646 114.554 0.082 0.000 3.182 168 T HA 0.359 4.709 4.350 -0.000 0.000 0.277 168 T C 1.190 175.962 174.700 0.120 0.000 1.013 168 T CA 0.105 62.285 62.100 0.134 0.000 0.900 168 T CB -0.207 68.779 68.868 0.197 0.000 1.098 168 T HN 0.255 nan 8.240 nan 0.000 0.543 169 I N 2.079 122.710 120.570 0.102 0.000 2.617 169 I HA -0.081 4.089 4.170 -0.000 0.000 0.256 169 I C 2.349 178.487 176.117 0.036 0.000 1.167 169 I CA 1.209 62.563 61.300 0.091 0.000 1.469 169 I CB 0.202 38.282 38.000 0.132 0.000 1.098 169 I HN 0.473 nan 8.210 nan 0.000 0.436 170 S N -1.273 114.460 115.700 0.055 0.000 2.501 170 S HA 0.059 4.529 4.470 -0.000 0.000 0.220 170 S C 1.429 176.063 174.600 0.056 0.000 0.997 170 S CA 0.383 58.609 58.200 0.044 0.000 0.919 170 S CB 0.298 63.529 63.200 0.052 0.000 0.778 170 S HN 0.239 nan 8.310 nan 0.000 0.523 171 V N 1.563 121.526 119.914 0.082 0.000 2.840 171 V HA 0.145 4.264 4.120 -0.000 0.000 0.234 171 V C 2.081 178.248 176.094 0.122 0.000 1.159 171 V CA 0.784 63.160 62.300 0.126 0.000 1.194 171 V CB -0.595 31.329 31.823 0.169 0.000 0.971 171 V HN 0.331 nan 8.190 nan 0.000 0.494 172 N N 0.719 119.478 118.700 0.098 0.000 2.109 172 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 172 N C -0.788 174.671 175.510 -0.087 0.000 1.034 172 N CA 1.574 54.688 53.050 0.107 0.000 0.846 172 N CB -1.543 37.108 38.487 0.274 0.000 1.010 172 N HN 0.347 nan 8.380 nan 0.000 0.425 173 P HA -0.056 nan 4.420 nan 0.000 0.216 173 P C 1.602 178.840 177.300 -0.104 0.000 1.153 173 P CA 0.904 63.715 63.100 -0.483 0.000 0.848 173 P CB -0.007 31.320 31.700 -0.621 0.000 0.787 174 L N -1.333 119.863 121.223 -0.045 0.000 2.046 174 L HA -0.138 4.201 4.340 -0.000 0.000 0.208 174 L C 2.341 179.287 176.870 0.127 0.000 1.077 174 L CA 1.894 56.761 54.840 0.044 0.000 0.747 174 L CB -1.879 40.205 42.059 0.041 0.000 0.896 174 L HN 0.050 nan 8.230 nan 0.000 0.432 175 T N 0.280 114.906 114.554 0.120 0.000 2.684 175 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 175 T C 2.025 176.607 174.700 -0.196 0.000 1.036 175 T CA 1.586 63.737 62.100 0.084 0.000 1.148 175 T CB -0.163 68.789 68.868 0.140 0.000 0.863 175 T HN 0.460 nan 8.240 nan 0.000 0.436 176 A N 0.166 122.923 122.820 -0.104 0.000 1.873 176 A HA -0.077 4.242 4.320 -0.000 0.000 0.215 176 A C 2.088 179.622 177.584 -0.084 0.000 1.186 176 A CA 1.569 53.528 52.037 -0.131 0.000 0.616 176 A CB -1.111 17.908 19.000 0.032 0.000 0.823 176 A HN 0.592 nan 8.150 nan 0.000 0.442 177 Y N 0.442 120.707 120.300 -0.059 0.000 2.097 177 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 177 Y C 2.061 177.957 175.900 -0.007 0.000 1.152 177 Y CA 2.150 60.248 58.100 -0.003 0.000 1.136 177 Y CB -0.252 38.215 38.460 0.012 0.000 0.975 177 Y HN 0.225 nan 8.280 nan 0.000 0.498 178 L N -0.775 120.552 121.223 0.174 0.000 2.093 178 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 178 L C 2.523 179.460 176.870 0.113 0.000 1.085 178 L CA 1.347 56.294 54.840 0.180 0.000 0.755 178 L CB -0.494 41.756 42.059 0.318 0.000 0.904 178 L HN 0.326 nan 8.230 nan 0.000 0.435 179 M N -0.601 118.865 119.600 -0.223 0.000 2.149 179 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 179 M C 2.197 178.445 176.300 -0.087 0.000 1.064 179 M CA 1.791 56.939 55.300 -0.253 0.000 1.102 179 M CB -0.329 31.899 32.600 -0.620 0.000 1.369 179 M HN 0.265 nan 8.290 nan 0.000 0.408 180 L N -0.734 120.374 121.223 -0.191 0.000 2.313 180 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 180 L C 2.339 179.176 176.870 -0.055 0.000 1.119 180 L CA 1.313 56.041 54.840 -0.187 0.000 0.809 180 L CB -0.518 41.401 42.059 -0.234 0.000 0.933 180 L HN 0.460 nan 8.230 nan 0.000 0.449 181 T N -6.971 107.536 114.554 -0.078 0.000 2.955 181 T HA -0.026 4.323 4.350 -0.000 0.000 0.251 181 T C 1.487 176.204 174.700 0.028 0.000 1.002 181 T CA -0.057 62.016 62.100 -0.044 0.000 0.970 181 T CB -0.081 68.660 68.868 -0.212 0.000 1.091 181 T HN 0.156 nan 8.240 nan 0.000 0.495 182 H N -0.437 118.580 119.070 -0.089 0.000 2.553 182 H HA 0.400 4.956 4.556 -0.000 0.000 0.265 182 H C 0.676 175.683 175.328 -0.535 0.000 0.964 182 H CA 0.232 56.101 56.048 -0.298 0.000 1.156 182 H CB 0.155 29.692 29.762 -0.376 0.000 1.411 182 H HN 0.471 nan 8.280 nan 0.000 0.558 183 Y N -1.995 118.299 120.300 -0.010 0.000 2.673 183 Y HA 0.291 4.841 4.550 -0.000 0.000 0.278 183 Y C 0.187 176.055 175.900 -0.054 0.000 1.127 183 Y CA 0.424 58.499 58.100 -0.042 0.000 1.261 183 Y CB 0.888 39.362 38.460 0.023 0.000 1.412 183 Y HN 0.006 nan 8.280 nan 0.000 0.496 184 V N 0.920 120.892 119.914 0.096 0.000 2.876 184 V HA 0.419 4.539 4.120 -0.000 0.000 0.312 184 V C -1.245 174.829 176.094 -0.032 0.000 1.085 184 V CA -1.183 61.130 62.300 0.021 0.000 0.945 184 V CB 2.059 33.899 31.823 0.027 0.000 1.017 184 V HN 0.113 nan 8.190 nan 0.000 0.428 185 K N 6.027 126.403 120.400 -0.041 0.000 2.262 185 K HA 0.522 4.842 4.320 -0.000 0.000 0.282 185 K C -1.073 175.457 176.600 -0.117 0.000 1.066 185 K CA -0.482 55.772 56.287 -0.056 0.000 0.901 185 K CB 0.617 33.107 32.500 -0.016 0.000 1.089 185 K HN 0.718 nan 8.250 nan 0.000 0.476 186 L N 4.096 125.148 121.223 -0.286 0.000 2.292 186 L HA 0.209 4.549 4.340 -0.000 0.000 0.284 186 L C 0.208 176.955 176.870 -0.207 0.000 1.065 186 L CA -0.699 53.887 54.840 -0.424 0.000 0.806 186 L CB 1.495 42.902 42.059 -1.087 0.000 1.175 186 L HN 0.659 nan 8.230 nan 0.000 0.431 187 T N 4.525 119.042 114.554 -0.062 0.000 2.769 187 T HA 0.143 4.493 4.350 -0.000 0.000 0.293 187 T C -2.270 172.506 174.700 0.126 0.000 0.931 187 T CA -0.873 61.256 62.100 0.048 0.000 1.139 187 T CB 0.358 69.253 68.868 0.044 0.000 0.881 187 T HN 0.319 nan 8.240 nan 0.000 0.532 188 P HA 0.163 nan 4.420 nan 0.000 0.262 188 P C 1.083 178.453 177.300 0.116 0.000 1.182 188 P CA 0.829 64.069 63.100 0.233 0.000 0.761 188 P CB 0.263 32.059 31.700 0.159 0.000 0.795 189 G N 2.867 111.717 108.800 0.083 0.000 2.176 189 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.253 189 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.253 189 G C 0.669 175.570 174.900 0.002 0.000 0.979 189 G CA 0.804 45.914 45.100 0.017 0.000 0.641 189 G HN 0.650 nan 8.290 nan 0.000 0.530 190 K N -1.590 118.821 120.400 0.018 0.000 2.770 190 K HA 0.260 4.580 4.320 -0.000 0.000 0.195 190 K C -0.042 176.590 176.600 0.053 0.000 1.515 190 K CA -0.041 56.269 56.287 0.039 0.000 1.199 190 K CB 0.472 33.022 32.500 0.083 0.000 1.681 190 K HN 0.123 nan 8.250 nan 0.000 0.586 191 D N 0.622 121.049 120.400 0.045 0.000 2.377 191 D HA 0.224 4.864 4.640 -0.000 0.000 0.245 191 D C -0.947 175.374 176.300 0.035 0.000 1.196 191 D CA 0.261 54.328 54.000 0.111 0.000 0.962 191 D CB 0.517 41.327 40.800 0.017 0.000 1.127 191 D HN 0.109 nan 8.370 nan 0.000 0.471 192 W N 0.218 121.530 121.300 0.020 0.000 3.032 192 W HA 0.415 5.075 4.660 -0.000 0.000 0.335 192 W C -0.594 175.990 176.519 0.107 0.000 1.154 192 W CA -0.953 56.413 57.345 0.036 0.000 1.204 192 W CB 0.894 30.368 29.460 0.024 0.000 1.416 192 W HN 0.195 nan 8.180 nan 0.000 0.521 193 F N 1.798 121.898 119.950 0.251 0.000 2.579 193 F HA 0.881 5.408 4.527 -0.000 0.000 0.324 193 F C -1.229 174.717 175.800 0.243 0.000 1.058 193 F CA -1.732 56.382 58.000 0.189 0.000 0.944 193 F CB 1.403 40.466 39.000 0.105 0.000 1.245 193 F HN 0.262 nan 8.300 nan 0.000 0.477 194 I N 2.170 122.933 120.570 0.321 0.000 2.608 194 I HA 0.439 4.608 4.170 -0.000 0.000 0.295 194 I C -1.732 174.573 176.117 0.312 0.000 1.049 194 I CA -0.674 60.752 61.300 0.211 0.000 1.063 194 I CB 2.131 40.235 38.000 0.175 0.000 1.248 194 I HN 0.982 nan 8.210 nan 0.000 0.424 195 Q N 4.583 124.541 119.800 0.262 0.000 2.379 195 Q HA 0.483 4.822 4.340 -0.000 0.000 0.278 195 Q C -1.807 174.316 176.000 0.205 0.000 1.068 195 Q CA -1.013 54.962 55.803 0.287 0.000 0.816 195 Q CB 1.971 30.938 28.738 0.382 0.000 1.387 195 Q HN 0.683 nan 8.270 nan 0.000 0.413 196 N N 0.144 118.956 118.700 0.187 0.000 2.604 196 N HA 0.527 5.266 4.740 -0.000 0.000 0.297 196 N C 0.394 175.991 175.510 0.144 0.000 1.266 196 N CA -0.053 53.078 53.050 0.135 0.000 0.961 196 N CB 0.389 38.932 38.487 0.094 0.000 1.166 196 N HN 1.038 nan 8.380 nan 0.000 0.601 197 G N -1.979 106.882 108.800 0.101 0.000 2.371 197 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.299 197 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.299 197 G C 0.865 175.841 174.900 0.127 0.000 1.014 197 G CA 0.521 45.681 45.100 0.101 0.000 1.097 197 G HN 1.025 nan 8.290 nan 0.000 0.512 198 G N -0.418 108.446 108.800 0.108 0.000 2.471 198 G HA2 0.064 4.024 3.960 -0.000 0.000 0.219 198 G HA3 0.064 4.024 3.960 -0.000 0.000 0.219 198 G C 1.702 176.652 174.900 0.084 0.000 1.125 198 G CA 1.861 47.026 45.100 0.108 0.000 0.775 198 G HN 1.403 nan 8.290 nan 0.000 0.548 199 T N -0.863 113.732 114.554 0.068 0.000 3.081 199 T HA 0.214 4.563 4.350 -0.000 0.000 0.250 199 T C 1.495 176.230 174.700 0.058 0.000 1.100 199 T CA 0.516 62.646 62.100 0.049 0.000 1.038 199 T CB -0.143 68.746 68.868 0.035 0.000 0.962 199 T HN 0.322 nan 8.240 nan 0.000 0.516 200 S N 0.815 116.569 115.700 0.090 0.000 2.576 200 S HA 0.555 5.025 4.470 -0.000 0.000 0.272 200 S C 1.816 176.481 174.600 0.108 0.000 1.352 200 S CA -0.273 57.996 58.200 0.114 0.000 1.021 200 S CB 0.806 64.105 63.200 0.164 0.000 0.887 200 S HN 0.447 nan 8.310 nan 0.000 0.542 201 A N 1.918 124.813 122.820 0.125 0.000 1.908 201 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 201 A C 2.206 179.914 177.584 0.206 0.000 1.181 201 A CA 1.765 53.869 52.037 0.111 0.000 0.627 201 A CB -1.362 17.758 19.000 0.201 0.000 0.818 201 A HN 0.857 nan 8.150 nan 0.000 0.445 202 V N -0.109 119.988 119.914 0.304 0.000 2.343 202 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 202 V C 2.817 179.053 176.094 0.237 0.000 1.051 202 V CA 1.931 64.423 62.300 0.320 0.000 1.036 202 V CB -1.488 30.513 31.823 0.296 0.000 0.654 202 V HN 0.618 nan 8.190 nan 0.000 0.451 203 G N -0.166 108.768 108.800 0.223 0.000 2.418 203 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 203 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 203 G C 1.660 176.641 174.900 0.134 0.000 1.158 203 G CA 0.892 46.109 45.100 0.195 0.000 0.771 203 G HN 0.488 nan 8.290 nan 0.000 0.545 204 K N -0.583 119.846 120.400 0.049 0.000 2.057 204 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 204 K C 2.186 178.745 176.600 -0.069 0.000 1.049 204 K CA 1.149 57.403 56.287 -0.054 0.000 0.931 204 K CB -0.325 32.072 32.500 -0.172 0.000 0.714 204 K HN 0.479 nan 8.250 nan 0.000 0.440 205 Y N 0.630 120.979 120.300 0.082 0.000 2.181 205 Y HA -0.236 4.313 4.550 -0.000 0.000 0.288 205 Y C 2.524 178.457 175.900 0.055 0.000 1.146 205 Y CA 0.871 59.010 58.100 0.065 0.000 1.164 205 Y CB -0.191 38.317 38.460 0.081 0.000 0.982 205 Y HN 0.107 nan 8.280 nan 0.000 0.515 206 A N -0.674 122.271 122.820 0.208 0.000 1.933 206 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 206 A C 2.344 180.082 177.584 0.258 0.000 1.175 206 A CA 1.934 54.055 52.037 0.140 0.000 0.628 206 A CB -0.886 18.174 19.000 0.099 0.000 0.814 206 A HN 0.380 nan 8.150 nan 0.000 0.444 207 S N -0.240 115.601 115.700 0.235 0.000 2.356 207 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 207 S C 2.130 176.779 174.600 0.081 0.000 1.032 207 S CA 1.559 59.870 58.200 0.185 0.000 1.005 207 S CB -0.330 62.921 63.200 0.086 0.000 0.867 207 S HN 0.713 nan 8.310 nan 0.000 0.449 208 Q N 0.364 120.182 119.800 0.030 0.000 2.079 208 Q HA -0.005 4.335 4.340 -0.000 0.000 0.200 208 Q C 2.155 178.077 176.000 -0.130 0.000 0.974 208 Q CA 1.171 56.938 55.803 -0.060 0.000 0.840 208 Q CB -0.338 28.365 28.738 -0.058 0.000 0.898 208 Q HN 0.517 nan 8.270 nan 0.000 0.430 209 I N 0.413 120.953 120.570 -0.051 0.000 2.252 209 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 209 I C 2.359 178.383 176.117 -0.155 0.000 1.102 209 I CA 1.021 62.258 61.300 -0.104 0.000 1.385 209 I CB -0.633 37.420 38.000 0.088 0.000 1.064 209 I HN 0.271 nan 8.210 nan 0.000 0.414 210 G N 1.109 109.918 108.800 0.015 0.000 2.476 210 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 210 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 210 G C 1.681 176.528 174.900 -0.088 0.000 1.164 210 G CA 1.180 46.357 45.100 0.127 0.000 0.768 210 G HN 0.342 nan 8.290 nan 0.000 0.560 211 K N 0.028 120.369 120.400 -0.099 0.000 2.057 211 K HA 0.043 4.363 4.320 -0.000 0.000 0.207 211 K C 2.489 178.950 176.600 -0.232 0.000 1.049 211 K CA 0.986 57.179 56.287 -0.156 0.000 0.931 211 K CB -0.305 32.110 32.500 -0.142 0.000 0.714 211 K HN 0.348 nan 8.250 nan 0.000 0.440 212 L N 0.698 121.727 121.223 -0.324 0.000 2.141 212 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 212 L C 1.898 178.586 176.870 -0.303 0.000 1.094 212 L CA 0.772 55.371 54.840 -0.401 0.000 0.763 212 L CB -0.090 41.492 42.059 -0.795 0.000 0.908 212 L HN 0.241 nan 8.230 nan 0.000 0.437 213 L N -0.813 120.171 121.223 -0.399 0.000 2.607 213 L HA 0.115 4.455 4.340 -0.000 0.000 0.228 213 L C 0.445 176.989 176.870 -0.544 0.000 1.123 213 L CA -0.169 54.349 54.840 -0.537 0.000 0.890 213 L CB -0.224 41.235 42.059 -1.000 0.000 1.103 213 L HN 0.325 nan 8.230 nan 0.000 0.468 214 N N 0.747 119.251 118.700 -0.326 0.000 2.758 214 N HA -0.231 4.509 4.740 -0.000 0.000 0.248 214 N C -0.602 174.938 175.510 0.051 0.000 1.076 214 N CA 0.601 53.570 53.050 -0.136 0.000 0.696 214 N CB -1.463 36.984 38.487 -0.065 0.000 0.979 214 N HN 0.263 nan 8.380 nan 0.000 0.550 215 F N 0.232 120.154 119.950 -0.048 0.000 2.404 215 F HA 0.383 4.910 4.527 -0.000 0.000 0.339 215 F C 1.203 176.883 175.800 -0.200 0.000 1.105 215 F CA -1.357 56.615 58.000 -0.046 0.000 1.087 215 F CB 0.806 39.897 39.000 0.151 0.000 1.143 215 F HN -0.099 nan 8.300 nan 0.000 0.491 216 N N 1.672 120.205 118.700 -0.279 0.000 2.508 216 N HA 0.234 4.974 4.740 -0.000 0.000 0.264 216 N C -0.614 174.506 175.510 -0.651 0.000 1.216 216 N CA -0.009 52.545 53.050 -0.826 0.000 0.943 216 N CB 1.609 38.869 38.487 -2.045 0.000 1.113 216 N HN 0.668 nan 8.380 nan 0.000 0.447 217 S N 0.047 115.389 115.700 -0.597 0.000 2.556 217 S HA 0.646 5.115 4.470 -0.000 0.000 0.271 217 S C -0.737 173.795 174.600 -0.112 0.000 1.135 217 S CA -0.929 56.930 58.200 -0.567 0.000 0.858 217 S CB 1.037 63.503 63.200 -1.223 0.000 1.114 217 S HN 0.371 nan 8.310 nan 0.000 0.468 218 I N 2.017 122.579 120.570 -0.013 0.000 2.362 218 I HA 0.415 4.585 4.170 -0.000 0.000 0.289 218 I C -0.208 175.934 176.117 0.042 0.000 0.994 218 I CA -0.424 60.938 61.300 0.103 0.000 1.158 218 I CB 2.040 40.184 38.000 0.240 0.000 1.315 218 I HN 0.602 nan 8.210 nan 0.000 0.451 219 S N 5.043 120.775 115.700 0.054 0.000 2.442 219 S HA 0.503 4.972 4.470 -0.000 0.000 0.297 219 S C -0.233 174.424 174.600 0.095 0.000 1.131 219 S CA -0.588 57.661 58.200 0.081 0.000 1.092 219 S CB 1.595 64.833 63.200 0.064 0.000 0.998 219 S HN 0.286 nan 8.310 nan 0.000 0.478 220 V N 5.738 125.714 119.914 0.102 0.000 2.394 220 V HA 0.570 4.690 4.120 -0.000 0.000 0.282 220 V C 0.095 176.229 176.094 0.066 0.000 1.031 220 V CA -0.590 61.759 62.300 0.083 0.000 0.881 220 V CB 0.651 32.523 31.823 0.081 0.000 0.982 220 V HN 0.817 nan 8.190 nan 0.000 0.451 221 I N 1.598 122.195 120.570 0.045 0.000 2.934 221 I HA 0.693 4.863 4.170 -0.000 0.000 0.306 221 I C -0.126 176.001 176.117 0.017 0.000 1.110 221 I CA -1.249 60.071 61.300 0.034 0.000 1.019 221 I CB 2.051 40.070 38.000 0.031 0.000 1.227 221 I HN 0.378 nan 8.210 nan 0.000 0.434 222 R N 2.102 122.611 120.500 0.015 0.000 2.590 222 R HA 0.127 4.467 4.340 -0.000 0.000 0.274 222 R C -0.485 175.815 176.300 -0.001 0.000 1.061 222 R CA -0.399 55.704 56.100 0.005 0.000 1.081 222 R CB 0.305 30.610 30.300 0.008 0.000 0.984 222 R HN 0.612 nan 8.270 nan 0.000 0.448 223 D N 1.692 122.087 120.400 -0.009 0.000 2.357 223 D HA 0.097 4.737 4.640 -0.000 0.000 0.242 223 D C -0.120 176.176 176.300 -0.007 0.000 1.153 223 D CA 0.178 54.170 54.000 -0.013 0.000 0.918 223 D CB 0.733 41.521 40.800 -0.021 0.000 1.181 223 D HN 0.467 nan 8.370 nan 0.000 0.435 224 R N 1.014 121.510 120.500 -0.007 0.000 2.712 224 R HA 0.290 4.629 4.340 -0.000 0.000 0.272 224 R C -2.516 173.780 176.300 -0.005 0.000 1.032 224 R CA -1.205 54.892 56.100 -0.005 0.000 0.874 224 R CB -0.078 30.221 30.300 -0.002 0.000 1.256 224 R HN 0.098 nan 8.270 nan 0.000 0.468 225 P HA -0.142 nan 4.420 nan 0.000 0.216 225 P C 0.428 177.725 177.300 -0.004 0.000 1.150 225 P CA 1.442 64.539 63.100 -0.004 0.000 0.837 225 P CB 0.032 31.730 31.700 -0.004 0.000 0.786 226 N N -0.142 118.557 118.700 -0.003 0.000 2.346 226 N HA 0.000 4.740 4.740 -0.000 0.000 0.225 226 N C 1.242 176.750 175.510 -0.002 0.000 1.144 226 N CA -0.171 52.878 53.050 -0.003 0.000 0.837 226 N CB -0.835 37.650 38.487 -0.003 0.000 1.069 226 N HN 0.021 nan 8.380 nan 0.000 0.487 227 L N 2.023 123.244 121.223 -0.002 0.000 2.034 227 L HA -0.328 4.012 4.340 -0.000 0.000 0.217 227 L C 1.960 178.829 176.870 -0.001 0.000 1.077 227 L CA 2.404 57.243 54.840 -0.002 0.000 0.769 227 L CB -0.645 41.411 42.059 -0.005 0.000 0.890 227 L HN 0.350 nan 8.230 nan 0.000 0.435 228 D N -1.016 119.383 120.400 -0.001 0.000 2.127 228 D HA -0.344 4.295 4.640 -0.000 0.000 0.190 228 D C 1.884 178.183 176.300 -0.002 0.000 1.000 228 D CA 2.028 56.028 54.000 0.000 0.000 0.839 228 D CB -0.684 40.116 40.800 0.000 0.000 0.955 228 D HN 0.699 nan 8.370 nan 0.000 0.446 229 E N 0.390 120.588 120.200 -0.002 0.000 2.058 229 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 229 E C 2.434 179.032 176.600 -0.004 0.000 0.997 229 E CA 1.163 57.561 56.400 -0.004 0.000 0.801 229 E CB 0.174 29.872 29.700 -0.004 0.000 0.746 229 E HN 0.184 nan 8.360 nan 0.000 0.450 230 V N 0.238 120.151 119.914 -0.002 0.000 2.323 230 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 230 V C 2.402 178.496 176.094 -0.001 0.000 1.041 230 V CA 1.241 63.541 62.300 -0.000 0.000 1.025 230 V CB -0.239 31.585 31.823 0.003 0.000 0.656 230 V HN 0.186 nan 8.190 nan 0.000 0.451 231 V N 0.519 120.433 119.914 0.000 0.000 2.252 231 V HA -0.330 3.790 4.120 -0.000 0.000 0.249 231 V C 2.751 178.839 176.094 -0.009 0.000 1.056 231 V CA 2.328 64.627 62.300 -0.001 0.000 1.022 231 V CB -1.194 30.631 31.823 0.002 0.000 0.641 231 V HN 0.572 nan 8.190 nan 0.000 0.445 232 A N -0.827 121.987 122.820 -0.009 0.000 1.908 232 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 232 A C 2.565 180.139 177.584 -0.017 0.000 1.181 232 A CA 2.390 54.419 52.037 -0.014 0.000 0.627 232 A CB -0.909 18.084 19.000 -0.011 0.000 0.818 232 A HN 0.507 nan 8.150 nan 0.000 0.445 233 S N -0.490 115.202 115.700 -0.013 0.000 2.370 233 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 233 S C 1.919 176.507 174.600 -0.019 0.000 1.033 233 S CA 1.571 59.762 58.200 -0.016 0.000 1.011 233 S CB -0.479 62.714 63.200 -0.012 0.000 0.852 233 S HN 0.491 nan 8.310 nan 0.000 0.457 234 L N 0.526 121.740 121.223 -0.015 0.000 2.141 234 L HA -0.024 4.315 4.340 -0.000 0.000 0.209 234 L C 2.664 179.519 176.870 -0.025 0.000 1.094 234 L CA 1.145 55.977 54.840 -0.014 0.000 0.763 234 L CB -0.428 41.631 42.059 -0.001 0.000 0.908 234 L HN 0.295 nan 8.230 nan 0.000 0.437 235 K N -0.083 120.298 120.400 -0.032 0.000 2.103 235 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 235 K C 1.997 178.567 176.600 -0.049 0.000 1.052 235 K CA 1.034 57.293 56.287 -0.047 0.000 0.945 235 K CB 0.037 32.508 32.500 -0.048 0.000 0.722 235 K HN 0.070 nan 8.250 nan 0.000 0.443 236 E N 1.441 121.617 120.200 -0.040 0.000 2.110 236 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 236 E C 1.750 178.322 176.600 -0.047 0.000 0.988 236 E CA 1.012 57.387 56.400 -0.041 0.000 0.804 236 E CB -0.128 29.553 29.700 -0.031 0.000 0.745 236 E HN 0.188 nan 8.360 nan 0.000 0.458 237 L N -1.759 119.438 121.223 -0.043 0.000 2.201 237 L HA 0.044 4.384 4.340 -0.000 0.000 0.212 237 L C 1.668 178.506 176.870 -0.054 0.000 1.105 237 L CA 1.049 55.861 54.840 -0.048 0.000 0.775 237 L CB -0.065 41.969 42.059 -0.041 0.000 0.913 237 L HN 0.477 nan 8.230 nan 0.000 0.440 238 G N -1.571 107.197 108.800 -0.054 0.000 2.559 238 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.202 238 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.202 238 G C 0.288 175.146 174.900 -0.071 0.000 0.992 238 G CA -0.237 44.823 45.100 -0.067 0.000 0.764 238 G HN 0.353 nan 8.290 nan 0.000 0.525 239 A N 0.936 123.722 122.820 -0.057 0.000 2.524 239 A HA 0.562 4.882 4.320 -0.000 0.000 0.250 239 A C 1.558 179.070 177.584 -0.120 0.000 1.078 239 A CA 1.561 53.548 52.037 -0.082 0.000 0.761 239 A CB 0.229 19.203 19.000 -0.044 0.000 1.012 239 A HN 0.591 nan 8.150 nan 0.000 0.500 240 T N 1.848 116.298 114.554 -0.173 0.000 2.812 240 T HA 0.010 4.360 4.350 -0.000 0.000 0.264 240 T C 0.683 175.269 174.700 -0.188 0.000 1.042 240 T CA 1.207 63.184 62.100 -0.206 0.000 1.140 240 T CB -0.033 68.626 68.868 -0.348 0.000 0.870 240 T HN 0.734 nan 8.240 nan 0.000 0.445 241 Q N 0.203 119.915 119.800 -0.146 0.000 2.389 241 Q HA 0.619 4.959 4.340 -0.000 0.000 0.277 241 Q C -1.506 174.468 176.000 -0.044 0.000 1.082 241 Q CA -0.515 55.164 55.803 -0.207 0.000 0.810 241 Q CB 3.129 31.543 28.738 -0.540 0.000 1.374 241 Q HN 0.065 nan 8.270 nan 0.000 0.422 242 V N 3.080 122.994 119.914 -0.000 0.000 2.588 242 V HA 0.622 4.742 4.120 -0.000 0.000 0.304 242 V C -0.108 176.047 176.094 0.102 0.000 1.042 242 V CA -0.700 61.630 62.300 0.051 0.000 0.877 242 V CB 1.846 33.682 31.823 0.022 0.000 0.996 242 V HN 0.720 nan 8.190 nan 0.000 0.425 243 I N 1.318 121.955 120.570 0.112 0.000 2.892 243 I HA 0.871 5.041 4.170 -0.000 0.000 0.306 243 I C 0.271 176.394 176.117 0.010 0.000 1.078 243 I CA -0.572 60.770 61.300 0.071 0.000 1.032 243 I CB 2.555 40.633 38.000 0.130 0.000 1.229 243 I HN 0.642 nan 8.210 nan 0.000 0.435 244 T N -0.948 113.572 114.554 -0.058 0.000 2.824 244 T HA 0.314 4.664 4.350 -0.000 0.000 0.277 244 T C 0.718 175.387 174.700 -0.051 0.000 0.975 244 T CA -0.421 61.650 62.100 -0.049 0.000 0.966 244 T CB 1.359 70.186 68.868 -0.069 0.000 1.054 244 T HN 0.690 nan 8.240 nan 0.000 0.533 245 E N 0.387 120.569 120.200 -0.030 0.000 2.347 245 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 245 E C 1.529 178.105 176.600 -0.040 0.000 1.008 245 E CA 0.674 57.061 56.400 -0.022 0.000 0.852 245 E CB -0.129 29.567 29.700 -0.007 0.000 0.783 245 E HN 0.632 nan 8.360 nan 0.000 0.505 246 D N 0.955 121.317 120.400 -0.063 0.000 2.097 246 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 246 D C 1.934 178.165 176.300 -0.116 0.000 0.984 246 D CA 0.893 54.847 54.000 -0.076 0.000 0.826 246 D CB -0.110 40.642 40.800 -0.080 0.000 0.973 246 D HN 0.266 nan 8.370 nan 0.000 0.460 247 Q N 0.389 120.065 119.800 -0.207 0.000 2.124 247 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 247 Q C 1.948 177.875 176.000 -0.121 0.000 0.977 247 Q CA 0.936 56.519 55.803 -0.366 0.000 0.850 247 Q CB -0.090 28.183 28.738 -0.774 0.000 0.901 247 Q HN 0.125 nan 8.270 nan 0.000 0.429 248 N N 1.032 119.699 118.700 -0.054 0.000 2.104 248 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 248 N C 0.925 176.439 175.510 0.006 0.000 1.024 248 N CA 1.588 54.645 53.050 0.012 0.000 0.853 248 N CB -0.178 38.318 38.487 0.014 0.000 1.008 248 N HN 0.279 nan 8.380 nan 0.000 0.424 249 N N -0.998 117.694 118.700 -0.013 0.000 2.459 249 N HA -0.060 4.679 4.740 -0.000 0.000 0.181 249 N C -0.128 175.379 175.510 -0.005 0.000 1.046 249 N CA 0.039 53.081 53.050 -0.012 0.000 0.904 249 N CB -0.008 38.468 38.487 -0.018 0.000 0.964 249 N HN 0.039 nan 8.380 nan 0.000 0.444 250 S N 0.968 116.673 115.700 0.008 0.000 2.455 250 S HA 0.126 4.595 4.470 -0.000 0.000 0.278 250 S C 1.174 175.798 174.600 0.040 0.000 1.216 250 S CA -0.574 57.643 58.200 0.029 0.000 1.055 250 S CB 0.869 64.099 63.200 0.050 0.000 0.939 250 S HN 0.212 nan 8.310 nan 0.000 0.494 251 R N 3.302 123.808 120.500 0.010 0.000 2.105 251 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 251 R C 1.882 178.178 176.300 -0.007 0.000 1.135 251 R CA 2.089 58.184 56.100 -0.008 0.000 0.967 251 R CB -0.248 30.042 30.300 -0.016 0.000 0.861 251 R HN 0.753 nan 8.270 nan 0.000 0.442 252 E N -0.415 119.795 120.200 0.017 0.000 2.110 252 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 252 E C 1.398 178.011 176.600 0.022 0.000 0.988 252 E CA 1.263 57.672 56.400 0.015 0.000 0.804 252 E CB -0.254 29.466 29.700 0.033 0.000 0.745 252 E HN 0.389 nan 8.360 nan 0.000 0.458 253 F N -0.089 119.799 119.950 -0.103 0.000 2.558 253 F HA 0.188 4.715 4.527 0.000 0.000 0.298 253 F C 1.876 177.552 175.800 -0.206 0.000 1.119 253 F CA 1.105 59.017 58.000 -0.145 0.000 1.451 253 F CB -0.343 38.586 39.000 -0.118 0.000 1.091 253 F HN 0.110 nan 8.300 nan 0.000 0.563 254 G N 1.232 109.954 108.800 -0.130 0.000 2.476 254 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 254 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 254 G C -0.612 174.083 174.900 -0.342 0.000 1.164 254 G CA 0.948 45.927 45.100 -0.201 0.000 0.768 254 G HN 0.277 nan 8.290 nan 0.000 0.560 255 P HA -0.015 nan 4.420 nan 0.000 0.219 255 P C 1.928 178.938 177.300 -0.484 0.000 1.146 255 P CA 1.386 64.291 63.100 -0.326 0.000 0.808 255 P CB -0.144 31.415 31.700 -0.235 0.000 0.779 256 T N -0.717 113.408 114.554 -0.715 0.000 2.788 256 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 256 T C 1.695 175.568 174.700 -1.378 0.000 1.044 256 T CA 1.038 62.527 62.100 -1.018 0.000 1.139 256 T CB -0.762 67.290 68.868 -1.360 0.000 0.867 256 T HN 0.085 nan 8.240 nan 0.000 0.454 257 I N 0.508 120.333 120.570 -1.242 0.000 2.252 257 I HA -0.136 4.033 4.170 -0.000 0.000 0.245 257 I C 2.557 178.307 176.117 -0.613 0.000 1.102 257 I CA 1.200 61.888 61.300 -1.020 0.000 1.385 257 I CB -0.238 37.429 38.000 -0.555 0.000 1.064 257 I HN 0.144 nan 8.210 nan 0.000 0.414 258 K N 0.748 120.867 120.400 -0.469 0.000 2.074 258 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 258 K C 1.995 178.427 176.600 -0.280 0.000 1.048 258 K CA 1.763 57.861 56.287 -0.316 0.000 0.926 258 K CB -0.203 32.152 32.500 -0.241 0.000 0.713 258 K HN 0.408 nan 8.250 nan 0.000 0.444 259 E N -0.303 119.705 120.200 -0.320 0.000 2.058 259 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 259 E C 1.933 178.498 176.600 -0.058 0.000 0.997 259 E CA 1.094 57.378 56.400 -0.193 0.000 0.801 259 E CB -0.118 29.454 29.700 -0.213 0.000 0.746 259 E HN 0.384 nan 8.360 nan 0.000 0.450 260 W N 0.785 121.952 121.300 -0.222 0.000 2.318 260 W HA -0.161 4.499 4.660 -0.000 0.000 0.313 260 W C 2.134 178.499 176.519 -0.256 0.000 1.221 260 W CA 0.700 57.922 57.345 -0.206 0.000 1.266 260 W CB -1.061 28.195 29.460 -0.341 0.000 1.150 260 W HN 0.110 nan 8.180 nan 0.000 0.496 261 I N -0.014 120.380 120.570 -0.293 0.000 2.202 261 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 261 I C 2.482 178.576 176.117 -0.037 0.000 1.091 261 I CA 1.634 62.679 61.300 -0.425 0.000 1.368 261 I CB -0.658 37.006 38.000 -0.560 0.000 1.058 261 I HN -0.158 nan 8.210 nan 0.000 0.410 262 K N 0.457 120.830 120.400 -0.046 0.000 2.032 262 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 262 K C 2.249 178.890 176.600 0.067 0.000 1.048 262 K CA 1.394 57.685 56.287 0.007 0.000 0.927 262 K CB 0.008 32.492 32.500 -0.027 0.000 0.712 262 K HN 0.205 nan 8.250 nan 0.000 0.441 263 Q N 0.021 119.876 119.800 0.092 0.000 2.226 263 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 263 Q C 2.118 178.209 176.000 0.151 0.000 0.975 263 Q CA 1.675 57.547 55.803 0.116 0.000 0.866 263 Q CB -0.073 28.745 28.738 0.133 0.000 0.915 263 Q HN 0.485 nan 8.270 nan 0.000 0.440 264 S N -1.088 114.755 115.700 0.238 0.000 2.481 264 S HA 0.042 4.512 4.470 -0.000 0.000 0.231 264 S C 1.557 176.270 174.600 0.187 0.000 0.996 264 S CA 0.982 59.341 58.200 0.265 0.000 0.942 264 S CB 0.006 63.524 63.200 0.530 0.000 0.768 264 S HN 0.491 nan 8.310 nan 0.000 0.520 265 G N 0.050 108.945 108.800 0.158 0.000 2.179 265 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.260 265 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.260 265 G C 0.417 175.395 174.900 0.129 0.000 0.977 265 G CA 0.146 45.315 45.100 0.115 0.000 0.641 265 G HN 1.138 nan 8.290 nan 0.000 0.533 266 G N -1.051 107.870 108.800 0.201 0.000 2.938 266 G HA2 0.716 4.676 3.960 -0.000 0.000 0.258 266 G HA3 0.716 4.676 3.960 -0.000 0.000 0.258 266 G C -0.597 174.426 174.900 0.204 0.000 1.356 266 G CA -0.286 44.943 45.100 0.214 0.000 1.052 266 G HN 0.397 nan 8.290 nan 0.000 0.550 267 E N -1.224 119.104 120.200 0.212 0.000 2.343 267 E HA 0.520 4.870 4.350 -0.000 0.000 0.270 267 E C -0.878 175.841 176.600 0.198 0.000 0.895 267 E CA -1.052 55.432 56.400 0.139 0.000 0.767 267 E CB 2.450 32.202 29.700 0.086 0.000 1.248 267 E HN 0.556 nan 8.360 nan 0.000 0.440 268 A N 2.026 124.909 122.820 0.107 0.000 2.376 268 A HA 0.169 4.489 4.320 -0.000 0.000 0.298 268 A C 0.386 178.049 177.584 0.132 0.000 1.271 268 A CA -0.020 52.107 52.037 0.150 0.000 0.926 268 A CB -0.067 18.963 19.000 0.051 0.000 1.141 268 A HN 0.556 nan 8.150 nan 0.000 0.539 269 K N 1.145 121.632 120.400 0.145 0.000 2.354 269 K HA 0.244 4.564 4.320 -0.000 0.000 0.194 269 K C -0.456 176.211 176.600 0.112 0.000 1.045 269 K CA 0.250 56.600 56.287 0.104 0.000 1.026 269 K CB 0.375 32.912 32.500 0.062 0.000 0.866 269 K HN 0.542 nan 8.250 nan 0.000 0.530 270 L N 0.252 121.569 121.223 0.155 0.000 2.470 270 L HA 0.531 4.871 4.340 -0.000 0.000 0.268 270 L C -1.882 175.124 176.870 0.227 0.000 0.964 270 L CA -0.653 54.280 54.840 0.155 0.000 0.839 270 L CB 1.901 44.024 42.059 0.107 0.000 1.276 270 L HN -0.052 nan 8.230 nan 0.000 0.403 271 A N 5.706 128.649 122.820 0.204 0.000 2.342 271 A HA 0.846 5.166 4.320 -0.000 0.000 0.323 271 A C -1.423 176.284 177.584 0.206 0.000 1.125 271 A CA -0.529 51.647 52.037 0.231 0.000 0.785 271 A CB 0.958 20.098 19.000 0.233 0.000 1.221 271 A HN 0.683 nan 8.150 nan 0.000 0.463 272 L N 2.413 123.782 121.223 0.244 0.000 2.298 272 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 272 L C -0.312 176.741 176.870 0.305 0.000 1.013 272 L CA -0.700 54.294 54.840 0.257 0.000 0.824 272 L CB 1.596 43.788 42.059 0.221 0.000 1.221 272 L HN 0.780 nan 8.230 nan 0.000 0.418 273 N N 2.322 121.186 118.700 0.275 0.000 2.443 273 N HA 0.353 5.093 4.740 -0.000 0.000 0.269 273 N C 0.060 175.540 175.510 -0.051 0.000 0.985 273 N CA -0.746 52.387 53.050 0.139 0.000 0.921 273 N CB 1.429 39.985 38.487 0.115 0.000 1.195 273 N HN 0.693 nan 8.380 nan 0.000 0.492 274 C N 1.635 120.813 119.300 -0.203 0.000 3.115 274 C HA 0.511 4.971 4.460 -0.000 0.000 0.277 274 C C 0.859 175.741 174.990 -0.179 0.000 1.460 274 C CA -0.411 58.334 59.018 -0.455 0.000 1.789 274 C CB -1.349 25.896 27.740 -0.824 0.000 2.674 274 C HN 0.467 nan 8.230 nan 0.000 0.582 275 V N 1.128 120.999 119.914 -0.073 0.000 2.996 275 V HA 0.617 4.737 4.120 -0.000 0.000 0.235 275 V C 1.736 177.826 176.094 -0.007 0.000 1.205 275 V CA 1.540 63.826 62.300 -0.024 0.000 1.225 275 V CB -0.581 31.245 31.823 0.005 0.000 0.995 275 V HN 1.058 nan 8.190 nan 0.000 0.484 276 G N -0.338 108.463 108.800 0.003 0.000 2.725 276 G HA2 0.331 4.290 3.960 -0.000 0.000 0.220 276 G HA3 0.331 4.290 3.960 -0.000 0.000 0.220 276 G C 0.579 175.490 174.900 0.018 0.000 1.357 276 G CA -0.359 44.749 45.100 0.014 0.000 0.866 276 G HN 1.771 nan 8.290 nan 0.000 0.548 277 G N -0.507 108.305 108.800 0.020 0.000 2.547 277 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.271 277 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.271 277 G C 1.275 176.181 174.900 0.010 0.000 1.209 277 G CA 2.042 47.153 45.100 0.018 0.000 0.959 277 G HN 2.263 nan 8.290 nan 0.000 0.563 278 K N -0.383 120.021 120.400 0.007 0.000 2.097 278 K HA 0.067 4.387 4.320 -0.000 0.000 0.206 278 K C 2.589 179.187 176.600 -0.002 0.000 1.049 278 K CA 2.376 58.663 56.287 -0.001 0.000 0.933 278 K CB -0.450 32.049 32.500 -0.002 0.000 0.717 278 K HN 0.588 nan 8.250 nan 0.000 0.442 279 S N 1.206 116.911 115.700 0.007 0.000 2.368 279 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 279 S C 2.212 176.822 174.600 0.017 0.000 1.030 279 S CA 1.741 59.949 58.200 0.014 0.000 0.999 279 S CB -0.535 62.678 63.200 0.022 0.000 0.844 279 S HN 0.649 nan 8.310 nan 0.000 0.459 280 S N 0.294 116.005 115.700 0.018 0.000 2.368 280 S HA -0.106 4.363 4.470 -0.000 0.000 0.225 280 S C 1.948 176.539 174.600 -0.016 0.000 1.030 280 S CA 1.779 59.994 58.200 0.026 0.000 0.999 280 S CB -1.497 61.727 63.200 0.041 0.000 0.844 280 S HN 0.579 nan 8.310 nan 0.000 0.459 281 T N 1.939 116.470 114.554 -0.038 0.000 2.684 281 T HA -0.011 4.339 4.350 -0.000 0.000 0.267 281 T C 2.011 176.649 174.700 -0.102 0.000 1.036 281 T CA 1.593 63.638 62.100 -0.092 0.000 1.148 281 T CB -1.297 67.532 68.868 -0.066 0.000 0.863 281 T HN 0.653 nan 8.240 nan 0.000 0.436 282 G N 2.043 110.812 108.800 -0.052 0.000 2.421 282 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 282 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 282 G C 1.609 176.490 174.900 -0.033 0.000 1.171 282 G CA 1.032 46.110 45.100 -0.036 0.000 0.775 282 G HN 0.688 nan 8.290 nan 0.000 0.543 283 I N -1.307 119.258 120.570 -0.007 0.000 2.439 283 I HA 0.225 4.395 4.170 -0.000 0.000 0.251 283 I C 2.761 178.873 176.117 -0.008 0.000 1.139 283 I CA 1.199 62.515 61.300 0.027 0.000 1.438 283 I CB -0.322 37.728 38.000 0.084 0.000 1.085 283 I HN 0.129 nan 8.210 nan 0.000 0.427 284 A N 1.932 124.692 122.820 -0.101 0.000 1.902 284 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 284 A C 2.485 179.870 177.584 -0.332 0.000 1.181 284 A CA 1.484 53.332 52.037 -0.315 0.000 0.623 284 A CB -0.685 17.842 19.000 -0.788 0.000 0.818 284 A HN 0.460 nan 8.150 nan 0.000 0.443 285 R N -0.496 119.855 120.500 -0.247 0.000 2.148 285 R HA -0.067 4.273 4.340 -0.000 0.000 0.227 285 R C 1.637 177.868 176.300 -0.115 0.000 1.103 285 R CA 1.431 57.420 56.100 -0.186 0.000 0.983 285 R CB -0.164 30.054 30.300 -0.137 0.000 0.874 285 R HN 0.478 nan 8.270 nan 0.000 0.451 286 K N 0.180 120.533 120.400 -0.078 0.000 2.459 286 K HA 0.102 4.422 4.320 -0.000 0.000 0.193 286 K C 0.306 176.883 176.600 -0.039 0.000 1.030 286 K CA 0.138 56.389 56.287 -0.061 0.000 1.026 286 K CB 0.212 32.694 32.500 -0.031 0.000 0.809 286 K HN 0.063 nan 8.250 nan 0.000 0.504 287 L N 2.062 123.283 121.223 -0.004 0.000 2.439 287 L HA 0.027 4.367 4.340 -0.000 0.000 0.269 287 L C 0.265 177.149 176.870 0.023 0.000 1.179 287 L CA -0.402 54.466 54.840 0.048 0.000 0.828 287 L CB 0.223 42.366 42.059 0.140 0.000 1.106 287 L HN 0.122 nan 8.230 nan 0.000 0.467 288 N N 1.227 119.945 118.700 0.029 0.000 2.297 288 N HA 0.015 4.755 4.740 -0.000 0.000 0.232 288 N C -0.167 175.379 175.510 0.060 0.000 1.311 288 N CA -0.184 52.882 53.050 0.026 0.000 0.897 288 N CB 0.149 38.653 38.487 0.028 0.000 1.137 288 N HN 0.469 nan 8.380 nan 0.000 0.449 289 N N 1.941 120.673 118.700 0.053 0.000 2.345 289 N HA -0.009 4.731 4.740 -0.000 0.000 0.243 289 N C -0.216 175.342 175.510 0.080 0.000 1.246 289 N CA 0.449 53.543 53.050 0.074 0.000 0.863 289 N CB -0.140 38.384 38.487 0.062 0.000 1.096 289 N HN 0.464 nan 8.380 nan 0.000 0.446 290 N N -2.015 116.742 118.700 0.094 0.000 2.776 290 N HA -0.126 4.614 4.740 -0.000 0.000 0.250 290 N C 0.154 175.706 175.510 0.070 0.000 1.112 290 N CA 1.078 54.172 53.050 0.074 0.000 0.733 290 N CB -1.673 36.846 38.487 0.054 0.000 1.097 290 N HN 0.663 nan 8.380 nan 0.000 0.558 291 G N 0.040 108.909 108.800 0.116 0.000 2.507 291 G HA2 0.542 4.502 3.960 -0.000 0.000 0.271 291 G HA3 0.542 4.502 3.960 -0.000 0.000 0.271 291 G C -0.166 174.741 174.900 0.012 0.000 1.189 291 G CA -0.441 44.733 45.100 0.123 0.000 0.859 291 G HN 0.199 nan 8.290 nan 0.000 0.542 292 L N 1.217 122.440 121.223 0.000 0.000 2.356 292 L HA 0.695 5.035 4.340 -0.000 0.000 0.277 292 L C -0.195 176.657 176.870 -0.029 0.000 0.996 292 L CA -0.790 53.986 54.840 -0.107 0.000 0.822 292 L CB 1.905 43.938 42.059 -0.042 0.000 1.256 292 L HN 0.581 nan 8.230 nan 0.000 0.413 293 M N 5.371 124.906 119.600 -0.109 0.000 2.300 293 M HA 0.548 5.028 4.480 -0.000 0.000 0.348 293 M C -1.666 174.638 176.300 0.008 0.000 1.151 293 M CA -0.434 54.908 55.300 0.070 0.000 1.046 293 M CB 1.064 33.824 32.600 0.266 0.000 1.647 293 M HN 0.605 nan 8.290 nan 0.000 0.451 294 L N 4.107 125.356 121.223 0.044 0.000 2.305 294 L HA 0.443 4.783 4.340 -0.000 0.000 0.284 294 L C -0.466 176.497 176.870 0.156 0.000 1.013 294 L CA -0.610 54.250 54.840 0.034 0.000 0.819 294 L CB 1.860 43.874 42.059 -0.075 0.000 1.227 294 L HN 0.654 nan 8.230 nan 0.000 0.417 295 T N 2.276 116.922 114.554 0.155 0.000 2.733 295 T HA 0.224 4.574 4.350 -0.000 0.000 0.294 295 T C 0.278 175.120 174.700 0.237 0.000 0.956 295 T CA -0.010 62.185 62.100 0.158 0.000 0.987 295 T CB 0.341 69.262 68.868 0.088 0.000 0.920 295 T HN 0.565 nan 8.240 nan 0.000 0.470 296 Y N 1.534 121.911 120.300 0.128 0.000 2.527 296 Y HA 0.691 5.241 4.550 -0.000 0.000 0.247 296 Y C 0.483 176.477 175.900 0.157 0.000 1.138 296 Y CA -0.636 57.585 58.100 0.202 0.000 1.228 296 Y CB 0.527 39.141 38.460 0.256 0.000 1.252 296 Y HN 0.674 nan 8.280 nan 0.000 0.531 297 G N -0.566 108.067 108.800 -0.277 0.000 2.608 297 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 297 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 297 G C -1.382 173.422 174.900 -0.161 0.000 1.425 297 G CA -0.624 44.331 45.100 -0.242 0.000 0.787 297 G HN 0.614 nan 8.290 nan 0.000 0.484 298 G N -0.606 108.139 108.800 -0.092 0.000 2.728 298 G HA2 0.527 4.487 3.960 -0.000 0.000 0.294 298 G HA3 0.527 4.487 3.960 -0.000 0.000 0.294 298 G C -0.911 173.984 174.900 -0.009 0.000 1.398 298 G CA -0.740 44.331 45.100 -0.049 0.000 1.183 298 G HN 0.458 nan 8.290 nan 0.000 0.578 299 M N 2.287 121.890 119.600 0.006 0.000 2.455 299 M HA 0.315 4.795 4.480 -0.000 0.000 0.331 299 M C 0.988 177.333 176.300 0.075 0.000 1.481 299 M CA -0.457 54.864 55.300 0.035 0.000 1.362 299 M CB -0.235 32.381 32.600 0.027 0.000 1.564 299 M HN 0.630 nan 8.290 nan 0.000 0.458 300 S N 4.174 119.943 115.700 0.114 0.000 4.026 300 S HA -0.183 4.287 4.470 -0.000 0.000 0.305 300 S C -0.214 174.593 174.600 0.346 0.000 0.787 300 S CA 0.166 58.504 58.200 0.229 0.000 1.314 300 S CB -1.553 61.728 63.200 0.135 0.000 1.849 300 S HN 0.631 nan 8.310 nan 0.000 0.444 301 F N -0.517 119.429 119.950 -0.007 0.000 2.695 301 F HA -0.171 4.356 4.527 -0.000 0.000 0.305 301 F C 0.662 176.459 175.800 -0.005 0.000 1.044 301 F CA 1.607 59.603 58.000 -0.007 0.000 1.049 301 F CB -1.105 37.893 39.000 -0.004 0.000 1.267 301 F HN 0.790 nan 8.300 nan 0.000 0.828 302 Q N 1.742 121.595 119.800 0.088 0.000 3.068 302 Q HA 0.270 4.609 4.340 -0.000 0.000 0.209 302 Q C -2.660 173.352 176.000 0.020 0.000 0.802 302 Q CA -1.331 54.507 55.803 0.058 0.000 0.848 302 Q CB 2.012 30.788 28.738 0.063 0.000 1.459 302 Q HN 0.122 nan 8.270 nan 0.000 0.455 303 P HA 0.119 nan 4.420 nan 0.000 0.274 303 P C -0.224 177.087 177.300 0.019 0.000 1.237 303 P CA -0.347 62.753 63.100 0.001 0.000 0.793 303 P CB 1.076 32.774 31.700 -0.003 0.000 0.977 304 V N 2.075 122.005 119.914 0.027 0.000 2.446 304 V HA 0.080 4.199 4.120 -0.000 0.000 0.276 304 V C 0.701 176.835 176.094 0.066 0.000 1.030 304 V CA 0.705 63.037 62.300 0.053 0.000 1.033 304 V CB -0.322 31.548 31.823 0.078 0.000 0.993 304 V HN 0.580 nan 8.190 nan 0.000 0.477 305 T N 7.224 121.808 114.554 0.051 0.000 2.772 305 T HA 0.591 4.941 4.350 -0.000 0.000 0.288 305 T C -0.381 174.334 174.700 0.024 0.000 0.994 305 T CA -0.282 61.845 62.100 0.045 0.000 0.951 305 T CB 0.662 69.544 68.868 0.023 0.000 0.933 305 T HN 0.299 nan 8.240 nan 0.000 0.447 306 I N 4.801 125.403 120.570 0.053 0.000 2.466 306 I HA 0.376 4.546 4.170 -0.000 0.000 0.289 306 I C -2.336 173.771 176.117 -0.017 0.000 1.026 306 I CA -3.105 58.164 61.300 -0.052 0.000 1.078 306 I CB 1.442 39.398 38.000 -0.074 0.000 1.249 306 I HN 0.336 nan 8.210 nan 0.000 0.429 307 P HA 0.156 nan 4.420 nan 0.000 0.266 307 P C 1.057 178.356 177.300 -0.001 0.000 1.195 307 P CA 0.089 63.166 63.100 -0.039 0.000 0.768 307 P CB 0.634 32.292 31.700 -0.070 0.000 0.838 308 T N 0.925 115.518 114.554 0.065 0.000 2.737 308 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 308 T C 1.814 176.509 174.700 -0.009 0.000 1.040 308 T CA 2.177 64.335 62.100 0.097 0.000 1.142 308 T CB -0.640 68.243 68.868 0.025 0.000 0.861 308 T HN 0.655 nan 8.240 nan 0.000 0.456 309 S N 1.736 117.405 115.700 -0.051 0.000 2.400 309 S HA -0.050 4.420 4.470 -0.000 0.000 0.232 309 S C 2.051 176.625 174.600 -0.043 0.000 1.025 309 S CA 0.917 59.077 58.200 -0.068 0.000 0.993 309 S CB -0.793 62.501 63.200 0.157 0.000 0.808 309 S HN 0.466 nan 8.310 nan 0.000 0.478 310 L N -0.658 120.509 121.223 -0.095 0.000 2.056 310 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 310 L C 2.636 179.492 176.870 -0.023 0.000 1.078 310 L CA 1.580 56.336 54.840 -0.140 0.000 0.749 310 L CB -0.764 41.027 42.059 -0.447 0.000 0.901 310 L HN 0.301 nan 8.230 nan 0.000 0.433 311 Y N 0.089 120.435 120.300 0.077 0.000 2.114 311 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 311 Y C 2.521 178.406 175.900 -0.025 0.000 1.143 311 Y CA 1.205 59.357 58.100 0.087 0.000 1.135 311 Y CB -0.169 38.322 38.460 0.051 0.000 0.980 311 Y HN 0.033 nan 8.280 nan 0.000 0.499 312 I N -1.300 119.255 120.570 -0.025 0.000 2.162 312 I HA -0.259 3.910 4.170 -0.000 0.000 0.238 312 I C 1.734 177.771 176.117 -0.132 0.000 1.076 312 I CA 1.520 62.680 61.300 -0.234 0.000 1.353 312 I CB -0.431 37.192 38.000 -0.628 0.000 1.063 312 I HN 0.133 nan 8.210 nan 0.000 0.408 313 F N 0.529 120.520 119.950 0.068 0.000 2.416 313 F HA 0.029 4.556 4.527 0.000 0.000 0.296 313 F C 1.985 177.810 175.800 0.040 0.000 1.099 313 F CA 0.259 58.284 58.000 0.042 0.000 1.427 313 F CB 0.042 39.054 39.000 0.021 0.000 1.079 313 F HN -0.107 nan 8.300 nan 0.000 0.536 314 K N -0.059 120.458 120.400 0.195 0.000 2.358 314 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 314 K C 0.016 176.704 176.600 0.145 0.000 1.030 314 K CA -0.003 56.369 56.287 0.142 0.000 1.097 314 K CB -0.294 32.264 32.500 0.097 0.000 0.862 314 K HN 0.026 nan 8.250 nan 0.000 0.534 315 N N 1.304 120.094 118.700 0.149 0.000 2.727 315 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 315 N C -0.731 174.878 175.510 0.164 0.000 1.048 315 N CA 0.105 53.239 53.050 0.141 0.000 0.714 315 N CB -1.746 36.801 38.487 0.100 0.000 0.959 315 N HN 0.250 nan 8.380 nan 0.000 0.544 316 F N 0.466 120.434 119.950 0.029 0.000 2.471 316 F HA 0.409 4.936 4.527 -0.000 0.000 0.353 316 F C 0.557 176.416 175.800 0.098 0.000 1.113 316 F CA 0.264 58.257 58.000 -0.012 0.000 1.262 316 F CB 0.728 39.620 39.000 -0.181 0.000 1.146 316 F HN 0.076 nan 8.300 nan 0.000 0.578 317 T N 4.640 118.739 114.554 -0.759 0.000 2.848 317 T HA 0.345 4.695 4.350 -0.000 0.000 0.285 317 T C -1.031 173.132 174.700 -0.895 0.000 0.995 317 T CA -0.676 61.111 62.100 -0.521 0.000 0.970 317 T CB 1.360 70.086 68.868 -0.236 0.000 0.976 317 T HN 0.588 nan 8.240 nan 0.000 0.441 318 S N 1.759 117.211 115.700 -0.413 0.000 2.498 318 S HA 0.816 5.286 4.470 -0.000 0.000 0.317 318 S C -0.478 174.089 174.600 -0.056 0.000 1.090 318 S CA -0.440 57.645 58.200 -0.191 0.000 1.089 318 S CB 0.345 63.636 63.200 0.152 0.000 0.997 318 S HN 0.963 nan 8.310 nan 0.000 0.470 319 A N 3.484 126.275 122.820 -0.047 0.000 2.524 319 A HA 0.983 5.303 4.320 -0.000 0.000 0.286 319 A C 0.069 177.660 177.584 0.012 0.000 1.203 319 A CA -0.527 51.498 52.037 -0.021 0.000 0.736 319 A CB 1.008 19.981 19.000 -0.045 0.000 1.322 319 A HN 1.014 nan 8.150 nan 0.000 0.424 320 G N -1.426 107.391 108.800 0.028 0.000 2.511 320 G HA2 0.644 4.604 3.960 -0.000 0.000 0.318 320 G HA3 0.644 4.604 3.960 -0.000 0.000 0.318 320 G C -1.611 173.376 174.900 0.145 0.000 1.210 320 G CA -0.468 44.680 45.100 0.080 0.000 0.969 320 G HN 1.047 nan 8.290 nan 0.000 0.484 321 F N 0.379 120.369 119.950 0.067 0.000 2.573 321 F HA 0.648 5.175 4.527 -0.000 0.000 0.316 321 F C -2.131 173.845 175.800 0.293 0.000 1.148 321 F CA -1.271 56.808 58.000 0.131 0.000 0.940 321 F CB 2.072 41.111 39.000 0.065 0.000 1.214 321 F HN 0.464 nan 8.300 nan 0.000 0.448 322 W N 7.842 128.772 121.300 -0.617 0.000 2.631 322 W HA 0.382 5.042 4.660 -0.000 0.000 0.321 322 W C -0.268 175.878 176.519 -0.621 0.000 1.004 322 W CA -1.257 55.856 57.345 -0.386 0.000 1.291 322 W CB 1.296 30.646 29.460 -0.183 0.000 1.300 322 W HN 0.482 nan 8.180 nan 0.000 0.422 323 V N 4.793 124.552 119.914 -0.258 0.000 2.343 323 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 323 V C 1.869 177.779 176.094 -0.307 0.000 1.051 323 V CA 3.276 65.440 62.300 -0.226 0.000 1.036 323 V CB -0.362 31.573 31.823 0.186 0.000 0.654 323 V HN 0.675 nan 8.190 nan 0.000 0.451 324 T N -0.029 114.252 114.554 -0.455 0.000 2.624 324 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 324 T C 1.797 176.080 174.700 -0.695 0.000 1.041 324 T CA 2.294 64.020 62.100 -0.624 0.000 1.159 324 T CB -0.328 67.981 68.868 -0.932 0.000 0.863 324 T HN 0.637 nan 8.240 nan 0.000 0.434 325 E N 0.719 120.328 120.200 -0.984 0.000 2.072 325 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 325 E C 2.004 178.424 176.600 -0.299 0.000 0.982 325 E CA 0.583 56.628 56.400 -0.592 0.000 0.803 325 E CB -0.556 28.903 29.700 -0.402 0.000 0.755 325 E HN 0.365 nan 8.360 nan 0.000 0.453 326 L N 0.007 121.063 121.223 -0.278 0.000 2.083 326 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 326 L C 1.744 178.526 176.870 -0.146 0.000 1.083 326 L CA 1.694 56.432 54.840 -0.170 0.000 0.752 326 L CB -0.140 41.802 42.059 -0.194 0.000 0.899 326 L HN 0.262 nan 8.230 nan 0.000 0.433 327 L N -1.504 119.616 121.223 -0.171 0.000 2.585 327 L HA 0.052 4.391 4.340 -0.000 0.000 0.226 327 L C 2.263 179.065 176.870 -0.114 0.000 1.113 327 L CA -0.026 54.736 54.840 -0.130 0.000 0.876 327 L CB -0.386 41.601 42.059 -0.119 0.000 1.072 327 L HN 0.200 nan 8.230 nan 0.000 0.468 328 K N 1.032 121.353 120.400 -0.132 0.000 2.034 328 K HA -0.141 4.179 4.320 -0.000 0.000 0.214 328 K C 0.388 176.968 176.600 -0.033 0.000 1.051 328 K CA 1.334 57.571 56.287 -0.084 0.000 0.931 328 K CB 0.100 32.524 32.500 -0.127 0.000 0.715 328 K HN 0.305 nan 8.250 nan 0.000 0.446 329 N N 0.891 119.563 118.700 -0.047 0.000 2.660 329 N HA 0.043 4.783 4.740 -0.000 0.000 0.316 329 N C -1.018 174.472 175.510 -0.032 0.000 1.774 329 N CA 0.011 53.045 53.050 -0.028 0.000 0.946 329 N CB 0.802 39.274 38.487 -0.026 0.000 1.322 329 N HN 0.070 nan 8.380 nan 0.000 0.492 330 N N 0.572 119.246 118.700 -0.044 0.000 2.785 330 N HA 0.082 4.822 4.740 -0.000 0.000 0.224 330 N C 0.518 175.991 175.510 -0.061 0.000 1.448 330 N CA -0.101 52.920 53.050 -0.048 0.000 0.748 330 N CB 0.725 39.178 38.487 -0.056 0.000 1.385 330 N HN 0.035 nan 8.380 nan 0.000 0.538 331 K N 0.181 120.549 120.400 -0.054 0.000 2.211 331 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 331 K C 1.405 177.967 176.600 -0.065 0.000 1.050 331 K CA 1.090 57.337 56.287 -0.067 0.000 0.945 331 K CB 0.385 32.851 32.500 -0.056 0.000 0.732 331 K HN 0.465 nan 8.250 nan 0.000 0.451 332 E N 0.310 120.479 120.200 -0.053 0.000 2.046 332 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 332 E C 1.933 178.497 176.600 -0.061 0.000 0.982 332 E CA 0.725 57.096 56.400 -0.050 0.000 0.800 332 E CB -0.019 29.660 29.700 -0.035 0.000 0.756 332 E HN 0.144 nan 8.360 nan 0.000 0.449 333 L N 1.674 122.858 121.223 -0.064 0.000 2.046 333 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 333 L C 2.330 179.142 176.870 -0.096 0.000 1.077 333 L CA 2.105 56.896 54.840 -0.080 0.000 0.747 333 L CB -0.593 41.401 42.059 -0.109 0.000 0.896 333 L HN 0.059 nan 8.230 nan 0.000 0.432 334 K N -1.379 118.964 120.400 -0.095 0.000 1.991 334 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 334 K C 1.934 178.470 176.600 -0.107 0.000 1.049 334 K CA 2.259 58.487 56.287 -0.098 0.000 0.932 334 K CB -0.477 31.961 32.500 -0.102 0.000 0.717 334 K HN 0.345 nan 8.250 nan 0.000 0.441 335 T N 0.066 114.562 114.554 -0.098 0.000 2.665 335 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 335 T C 2.003 176.631 174.700 -0.120 0.000 1.035 335 T CA 1.757 63.799 62.100 -0.095 0.000 1.151 335 T CB -0.465 68.357 68.868 -0.077 0.000 0.862 335 T HN 0.363 nan 8.240 nan 0.000 0.438 336 S N 0.141 115.766 115.700 -0.124 0.000 2.355 336 S HA -0.140 4.330 4.470 -0.000 0.000 0.222 336 S C 2.237 176.686 174.600 -0.252 0.000 1.031 336 S CA 1.879 59.987 58.200 -0.153 0.000 0.993 336 S CB -0.731 62.402 63.200 -0.112 0.000 0.859 336 S HN 0.565 nan 8.310 nan 0.000 0.453 337 T N 2.814 117.212 114.554 -0.259 0.000 2.708 337 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 337 T C 1.712 176.182 174.700 -0.382 0.000 1.037 337 T CA 1.420 63.273 62.100 -0.413 0.000 1.146 337 T CB -0.590 68.128 68.868 -0.251 0.000 0.865 337 T HN 0.290 nan 8.240 nan 0.000 0.435 338 L N 2.132 123.218 121.223 -0.228 0.000 2.012 338 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 338 L C 1.943 178.707 176.870 -0.177 0.000 1.073 338 L CA 1.745 56.486 54.840 -0.164 0.000 0.748 338 L CB -0.911 41.089 42.059 -0.099 0.000 0.891 338 L HN 0.118 nan 8.230 nan 0.000 0.431 339 N N -0.633 117.952 118.700 -0.192 0.000 2.166 339 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 339 N C 1.826 177.169 175.510 -0.277 0.000 1.019 339 N CA 1.276 54.217 53.050 -0.182 0.000 0.856 339 N CB -0.321 38.071 38.487 -0.158 0.000 0.993 339 N HN 0.460 nan 8.380 nan 0.000 0.426 340 Q N 0.670 120.205 119.800 -0.441 0.000 2.084 340 Q HA -0.005 4.334 4.340 -0.000 0.000 0.202 340 Q C 1.754 177.327 176.000 -0.712 0.000 0.978 340 Q CA 1.088 56.451 55.803 -0.734 0.000 0.844 340 Q CB -0.171 27.948 28.738 -1.031 0.000 0.898 340 Q HN 0.227 nan 8.270 nan 0.000 0.426 341 I N 0.195 120.498 120.570 -0.445 0.000 2.202 341 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 341 I C 2.289 178.387 176.117 -0.033 0.000 1.091 341 I CA 1.152 62.334 61.300 -0.196 0.000 1.368 341 I CB -1.169 36.750 38.000 -0.135 0.000 1.058 341 I HN 0.289 nan 8.210 nan 0.000 0.410 342 I N 1.144 121.718 120.570 0.007 0.000 2.151 342 I HA -0.330 3.840 4.170 -0.000 0.000 0.243 342 I C 2.745 178.922 176.117 0.100 0.000 1.080 342 I CA 1.679 63.048 61.300 0.116 0.000 1.339 342 I CB -0.450 37.577 38.000 0.045 0.000 1.039 342 I HN 0.158 nan 8.210 nan 0.000 0.409 343 A N 0.056 122.858 122.820 -0.030 0.000 1.902 343 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 343 A C 2.055 179.714 177.584 0.126 0.000 1.181 343 A CA 1.301 53.329 52.037 -0.014 0.000 0.623 343 A CB -0.879 18.033 19.000 -0.146 0.000 0.818 343 A HN 0.531 nan 8.150 nan 0.000 0.443 344 W N -1.014 120.268 121.300 -0.031 0.000 2.388 344 W HA -0.070 4.590 4.660 -0.000 0.000 0.294 344 W C 2.124 178.641 176.519 -0.002 0.000 1.212 344 W CA 0.584 57.896 57.345 -0.054 0.000 1.271 344 W CB -1.265 28.114 29.460 -0.134 0.000 1.126 344 W HN 0.569 nan 8.180 nan 0.000 0.535 345 Y N 0.400 120.851 120.300 0.253 0.000 2.163 345 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 345 Y C 2.480 178.449 175.900 0.116 0.000 1.136 345 Y CA 1.479 59.679 58.100 0.166 0.000 1.147 345 Y CB -0.343 38.203 38.460 0.143 0.000 0.987 345 Y HN -0.049 nan 8.280 nan 0.000 0.509 346 E N 0.104 120.461 120.200 0.261 0.000 2.110 346 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 346 E C 1.603 178.278 176.600 0.125 0.000 0.988 346 E CA 1.271 57.760 56.400 0.148 0.000 0.804 346 E CB -0.093 29.665 29.700 0.097 0.000 0.745 346 E HN 0.569 nan 8.360 nan 0.000 0.458 347 E N -0.641 119.647 120.200 0.147 0.000 2.482 347 E HA 0.010 4.360 4.350 -0.000 0.000 0.196 347 E C 0.907 177.570 176.600 0.105 0.000 1.047 347 E CA 0.309 56.782 56.400 0.121 0.000 0.869 347 E CB 0.332 30.123 29.700 0.151 0.000 0.836 347 E HN 0.364 nan 8.360 nan 0.000 0.520 348 G N 1.658 110.536 108.800 0.129 0.000 2.153 348 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.252 348 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.252 348 G C 0.801 175.736 174.900 0.058 0.000 0.994 348 G CA 0.739 45.901 45.100 0.103 0.000 0.698 348 G HN 0.259 nan 8.290 nan 0.000 0.521 349 K N -1.452 118.971 120.400 0.038 0.000 2.323 349 K HA 0.327 4.647 4.320 -0.000 0.000 0.197 349 K C 0.740 177.236 176.600 -0.175 0.000 1.043 349 K CA 0.290 56.518 56.287 -0.099 0.000 0.997 349 K CB 0.403 32.789 32.500 -0.189 0.000 0.807 349 K HN 0.341 nan 8.250 nan 0.000 0.497 350 L N 0.548 121.720 121.223 -0.085 0.000 2.346 350 L HA 0.300 4.640 4.340 -0.000 0.000 0.276 350 L C -0.521 176.401 176.870 0.088 0.000 1.006 350 L CA -0.144 54.629 54.840 -0.112 0.000 0.817 350 L CB 2.079 43.975 42.059 -0.272 0.000 1.272 350 L HN -0.236 nan 8.230 nan 0.000 0.421 351 T N 1.883 116.515 114.554 0.130 0.000 2.940 351 T HA 0.464 4.814 4.350 -0.000 0.000 0.288 351 T C -1.132 173.777 174.700 0.349 0.000 1.033 351 T CA -0.743 61.520 62.100 0.271 0.000 1.033 351 T CB 0.699 69.641 68.868 0.123 0.000 1.079 351 T HN 0.751 nan 8.240 nan 0.000 0.496 352 D N 1.795 122.434 120.400 0.399 0.000 2.304 352 D HA 0.371 5.011 4.640 -0.000 0.000 0.247 352 D C -0.038 176.277 176.300 0.026 0.000 1.089 352 D CA -0.582 53.636 54.000 0.364 0.000 0.910 352 D CB 1.004 41.991 40.800 0.311 0.000 1.199 352 D HN 0.643 nan 8.370 nan 0.000 0.426 353 A N 2.616 125.297 122.820 -0.231 0.000 2.522 353 A HA 0.078 4.398 4.320 -0.000 0.000 0.256 353 A C 0.472 178.048 177.584 -0.013 0.000 1.086 353 A CA -0.307 51.599 52.037 -0.218 0.000 0.763 353 A CB -0.045 18.768 19.000 -0.312 0.000 1.024 353 A HN 0.349 nan 8.150 nan 0.000 0.502 354 K N 2.055 122.449 120.400 -0.011 0.000 2.295 354 K HA 0.346 4.666 4.320 -0.000 0.000 0.270 354 K C 0.050 176.663 176.600 0.021 0.000 1.011 354 K CA 0.169 56.465 56.287 0.015 0.000 0.953 354 K CB 0.867 33.370 32.500 0.004 0.000 0.956 354 K HN 0.596 nan 8.250 nan 0.000 0.477 355 S N 1.604 117.317 115.700 0.022 0.000 2.537 355 S HA 0.480 4.950 4.470 -0.000 0.000 0.301 355 S C 0.291 174.884 174.600 -0.011 0.000 1.092 355 S CA -0.791 57.416 58.200 0.012 0.000 1.048 355 S CB 1.026 64.236 63.200 0.017 0.000 1.053 355 S HN 0.364 nan 8.310 nan 0.000 0.501 356 I N 2.717 123.273 120.570 -0.023 0.000 2.363 356 I HA 0.119 4.288 4.170 -0.000 0.000 0.292 356 I C 0.375 176.452 176.117 -0.067 0.000 1.075 356 I CA 0.242 61.517 61.300 -0.042 0.000 1.333 356 I CB 0.340 38.314 38.000 -0.044 0.000 1.415 356 I HN 0.531 nan 8.210 nan 0.000 0.502 357 E N 5.232 125.391 120.200 -0.068 0.000 2.174 357 E HA 0.321 4.671 4.350 -0.000 0.000 0.282 357 E C -0.731 175.801 176.600 -0.114 0.000 0.992 357 E CA -0.458 55.888 56.400 -0.090 0.000 0.803 357 E CB 1.358 31.018 29.700 -0.067 0.000 1.090 357 E HN 0.440 nan 8.360 nan 0.000 0.396 358 T N 3.333 117.788 114.554 -0.165 0.000 2.770 358 T HA 0.245 4.595 4.350 -0.000 0.000 0.283 358 T C -0.499 174.076 174.700 -0.208 0.000 0.988 358 T CA -0.665 61.324 62.100 -0.184 0.000 0.957 358 T CB 0.583 69.311 68.868 -0.234 0.000 0.930 358 T HN 0.186 nan 8.240 nan 0.000 0.443 359 L N 4.473 125.602 121.223 -0.156 0.000 2.290 359 L HA 0.403 4.743 4.340 -0.000 0.000 0.284 359 L C -0.568 176.224 176.870 -0.131 0.000 1.078 359 L CA -0.767 53.984 54.840 -0.149 0.000 0.815 359 L CB 0.155 42.152 42.059 -0.104 0.000 1.162 359 L HN 0.646 nan 8.230 nan 0.000 0.435 360 Y N 5.298 125.392 120.300 -0.343 0.000 2.620 360 Y HA 0.227 4.776 4.550 -0.000 0.000 0.352 360 Y C 0.350 176.154 175.900 -0.159 0.000 1.140 360 Y CA -0.741 57.180 58.100 -0.299 0.000 1.529 360 Y CB -0.205 37.974 38.460 -0.470 0.000 1.321 360 Y HN 0.802 nan 8.280 nan 0.000 0.501 361 D N 2.105 122.314 120.400 -0.318 0.000 2.479 361 D HA 0.196 4.836 4.640 -0.000 0.000 0.218 361 D C 1.525 177.642 176.300 -0.306 0.000 1.177 361 D CA 0.293 54.118 54.000 -0.292 0.000 0.830 361 D CB -0.039 40.668 40.800 -0.154 0.000 1.014 361 D HN 0.689 nan 8.370 nan 0.000 0.503 362 G N 0.030 108.587 108.800 -0.405 0.000 2.176 362 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.253 362 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.253 362 G C 1.206 176.046 174.900 -0.100 0.000 0.979 362 G CA 0.676 45.629 45.100 -0.246 0.000 0.641 362 G HN 0.347 nan 8.290 nan 0.000 0.530 363 T N -0.327 114.176 114.554 -0.086 0.000 2.788 363 T HA 0.089 4.439 4.350 -0.000 0.000 0.268 363 T C 1.073 175.758 174.700 -0.024 0.000 1.044 363 T CA 1.892 63.962 62.100 -0.049 0.000 1.139 363 T CB 0.067 68.903 68.868 -0.053 0.000 0.867 363 T HN 0.766 nan 8.240 nan 0.000 0.454 364 K N 1.244 121.640 120.400 -0.007 0.000 2.469 364 K HA 0.380 4.700 4.320 -0.000 0.000 0.254 364 K C -3.003 173.640 176.600 0.072 0.000 0.939 364 K CA -2.251 54.038 56.287 0.004 0.000 0.812 364 K CB 1.999 34.477 32.500 -0.037 0.000 1.301 364 K HN -0.179 nan 8.250 nan 0.000 0.433 365 P HA -0.058 nan 4.420 nan 0.000 0.271 365 P C 0.618 177.927 177.300 0.015 0.000 1.233 365 P CA -0.428 62.742 63.100 0.118 0.000 0.789 365 P CB 0.567 32.312 31.700 0.074 0.000 0.951 366 L N 1.735 122.959 121.223 0.002 0.000 2.017 366 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 366 L C 2.759 179.627 176.870 -0.004 0.000 1.073 366 L CA 1.954 56.663 54.840 -0.219 0.000 0.745 366 L CB -1.598 40.270 42.059 -0.319 0.000 0.894 366 L HN 0.549 nan 8.230 nan 0.000 0.432 367 H N -1.181 117.928 119.070 0.065 0.000 2.421 367 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 367 H C 1.670 177.057 175.328 0.097 0.000 1.087 367 H CA 1.603 57.717 56.048 0.110 0.000 1.330 367 H CB -0.490 29.325 29.762 0.087 0.000 1.388 367 H HN 0.539 nan 8.280 nan 0.000 0.526 368 E N 0.384 120.234 120.200 -0.583 0.000 2.204 368 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 368 E C 2.221 178.711 176.600 -0.183 0.000 0.989 368 E CA 0.504 56.706 56.400 -0.331 0.000 0.824 368 E CB 0.121 29.608 29.700 -0.354 0.000 0.756 368 E HN 0.231 nan 8.360 nan 0.000 0.477 369 L N -0.208 120.891 121.223 -0.207 0.000 2.046 369 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 369 L C 1.931 178.562 176.870 -0.398 0.000 1.077 369 L CA 1.724 56.384 54.840 -0.299 0.000 0.747 369 L CB -0.678 41.141 42.059 -0.399 0.000 0.896 369 L HN 0.178 nan 8.230 nan 0.000 0.432 370 Y N -0.819 119.309 120.300 -0.287 0.000 2.263 370 Y HA -0.183 4.367 4.550 -0.000 0.000 0.292 370 Y C 2.663 178.430 175.900 -0.221 0.000 1.130 370 Y CA 1.039 58.894 58.100 -0.409 0.000 1.179 370 Y CB -0.208 37.904 38.460 -0.580 0.000 0.998 370 Y HN 0.242 nan 8.280 nan 0.000 0.532 371 Q N 0.079 119.904 119.800 0.041 0.000 2.050 371 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 371 Q C 1.638 177.635 176.000 -0.005 0.000 0.980 371 Q CA 1.685 57.521 55.803 0.055 0.000 0.840 371 Q CB -0.193 28.596 28.738 0.084 0.000 0.898 371 Q HN 0.429 nan 8.270 nan 0.000 0.424 372 D N -0.153 120.213 120.400 -0.057 0.000 2.133 372 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 372 D C 1.824 178.074 176.300 -0.084 0.000 0.997 372 D CA 1.458 55.415 54.000 -0.072 0.000 0.840 372 D CB -0.599 40.139 40.800 -0.102 0.000 0.947 372 D HN 0.402 nan 8.370 nan 0.000 0.452 373 G N 0.522 109.239 108.800 -0.137 0.000 2.421 373 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 373 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 373 G C 1.881 176.748 174.900 -0.055 0.000 1.171 373 G CA 0.863 45.877 45.100 -0.144 0.000 0.775 373 G HN 0.254 nan 8.290 nan 0.000 0.543 374 V N 1.489 121.396 119.914 -0.012 0.000 2.343 374 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 374 V C 3.289 179.402 176.094 0.032 0.000 1.051 374 V CA 2.082 64.412 62.300 0.050 0.000 1.036 374 V CB -0.752 31.132 31.823 0.101 0.000 0.654 374 V HN 0.474 nan 8.190 nan 0.000 0.451 375 A N -0.076 122.752 122.820 0.015 0.000 2.066 375 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 375 A C 1.679 179.263 177.584 0.000 0.000 1.157 375 A CA 1.333 53.376 52.037 0.010 0.000 0.670 375 A CB -0.378 18.625 19.000 0.005 0.000 0.804 375 A HN 0.583 nan 8.150 nan 0.000 0.453 376 N N 0.012 118.705 118.700 -0.012 0.000 2.251 376 N HA 0.007 4.746 4.740 -0.000 0.000 0.217 376 N C 1.419 176.926 175.510 -0.006 0.000 1.124 376 N CA 0.793 53.834 53.050 -0.016 0.000 0.843 376 N CB 0.191 38.657 38.487 -0.035 0.000 1.024 376 N HN 0.580 nan 8.380 nan 0.000 0.501 377 S N 0.784 116.490 115.700 0.009 0.000 2.400 377 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 377 S C 1.603 176.217 174.600 0.024 0.000 1.025 377 S CA 0.840 59.055 58.200 0.024 0.000 0.993 377 S CB -0.096 63.129 63.200 0.043 0.000 0.808 377 S HN 0.238 nan 8.310 nan 0.000 0.478 378 K N 1.027 121.438 120.400 0.017 0.000 2.283 378 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 378 K C 1.200 177.807 176.600 0.011 0.000 1.048 378 K CA 1.202 57.499 56.287 0.016 0.000 0.948 378 K CB -0.326 32.181 32.500 0.012 0.000 0.742 378 K HN 0.395 nan 8.250 nan 0.000 0.458 379 D N 0.313 120.716 120.400 0.004 0.000 2.264 379 D HA -0.019 4.621 4.640 -0.000 0.000 0.208 379 D C 1.073 177.375 176.300 0.003 0.000 0.966 379 D CA 1.030 55.029 54.000 -0.001 0.000 0.864 379 D CB 0.192 40.985 40.800 -0.011 0.000 0.933 379 D HN 0.367 nan 8.370 nan 0.000 0.499 380 G N -0.298 108.508 108.800 0.011 0.000 2.353 380 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.424 380 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.424 380 G C -1.088 173.826 174.900 0.023 0.000 1.320 380 G CA -0.895 44.216 45.100 0.019 0.000 0.995 380 G HN 0.093 nan 8.290 nan 0.000 0.580 381 K N 0.666 121.088 120.400 0.036 0.000 2.489 381 K HA 0.385 4.705 4.320 -0.000 0.000 0.278 381 K C 0.087 176.700 176.600 0.020 0.000 1.000 381 K CA 0.513 56.830 56.287 0.050 0.000 1.012 381 K CB 0.415 32.961 32.500 0.077 0.000 0.903 381 K HN 0.451 nan 8.250 nan 0.000 0.485 382 Q N 3.486 123.293 119.800 0.011 0.000 2.316 382 Q HA 0.397 4.736 4.340 -0.000 0.000 0.264 382 Q C -1.177 174.787 176.000 -0.059 0.000 0.987 382 Q CA -1.024 54.751 55.803 -0.047 0.000 0.852 382 Q CB 1.865 30.555 28.738 -0.081 0.000 1.287 382 Q HN 0.540 nan 8.270 nan 0.000 0.448 383 L N 3.520 124.684 121.223 -0.098 0.000 2.376 383 L HA 0.454 4.793 4.340 -0.000 0.000 0.275 383 L C -1.284 175.462 176.870 -0.207 0.000 0.987 383 L CA -0.517 54.263 54.840 -0.100 0.000 0.828 383 L CB 1.246 43.278 42.059 -0.045 0.000 1.249 383 L HN 0.452 nan 8.230 nan 0.000 0.409 384 I N 4.132 124.523 120.570 -0.298 0.000 2.325 384 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 384 I C 0.677 176.648 176.117 -0.243 0.000 1.019 384 I CA -0.059 60.976 61.300 -0.441 0.000 1.302 384 I CB 1.038 38.504 38.000 -0.890 0.000 1.401 384 I HN 0.744 nan 8.210 nan 0.000 0.485 385 T N 3.707 118.099 114.554 -0.271 0.000 2.950 385 T HA 0.741 5.091 4.350 -0.000 0.000 0.288 385 T C -0.594 173.956 174.700 -0.249 0.000 1.035 385 T CA -0.491 61.541 62.100 -0.113 0.000 1.028 385 T CB 1.973 70.800 68.868 -0.068 0.000 1.109 385 T HN 0.305 nan 8.240 nan 0.000 0.514 386 Y N 0.000 120.285 120.300 -0.026 0.000 2.660 386 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 386 Y CA 0.000 58.116 58.100 0.027 0.000 1.940 386 Y CB 0.000 38.465 38.460 0.008 0.000 1.050 386 Y HN 0.000 nan 8.280 nan 0.000 0.758