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 3gv7_1_B DATA FIRST_RESID 26 DATA SEQUENCE SSRVIVHVDL DCFYAQVEMI SNPELKDKPL GVQQKYLVVT CNYEARKLGV DATA SEQUENCE KKLMNVRDAK EKCPQLVLVN GEDLTRYREM SYKVTELLEE FSPVVERLGF DATA SEQUENCE DENFVDLTEM VEKRLQQLQS DELSAVTVSG HVYNNQSINL LDVLHIRLLV DATA SEQUENCE GSQIAAEMRE AMYNQLGLTG CAGVASNKLL AKLVSGVFKP NQQTVLLPES DATA SEQUENCE CQHLIHSLNH IKEIPGIGYK TAKCLEALGI NSVRDLQTFS PKILEKELGI DATA SEQUENCE SVAQRIQKLS FGEDNSPVIL SGPPQSFSEE DSFKKCSSEV EAKNKIEELL DATA SEQUENCE ASLLNRVCQD GRKPHTVRLI IRRYXXXXXX GRESRQCPIP SHVIQKXXXX DATA SEQUENCE XXDVMTPMVD ILMKLFRNMV NVKMPFHLTL LSVCFCNLK 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.604 174.600 0.006 0.000 1.055 26 S CA 0.000 58.202 58.200 0.003 0.000 1.107 26 S CB 0.000 63.202 63.200 0.003 0.000 0.593 27 S N 2.648 118.354 115.700 0.011 0.000 2.485 27 S HA 0.563 5.043 4.470 0.015 0.000 0.312 27 S C -0.161 174.451 174.600 0.021 0.000 1.102 27 S CA -0.642 57.568 58.200 0.017 0.000 1.066 27 S CB -0.434 62.778 63.200 0.021 0.000 1.102 27 S HN 0.471 nan 8.310 nan 0.000 0.519 28 R N 2.404 122.916 120.500 0.020 0.000 2.674 28 R HA 0.684 5.033 4.340 0.015 0.000 0.266 28 R C -1.043 175.276 176.300 0.031 0.000 1.016 28 R CA -0.938 55.176 56.100 0.022 0.000 1.062 28 R CB 1.452 31.760 30.300 0.014 0.000 1.142 28 R HN 0.373 nan 8.270 nan 0.000 0.517 29 V N 3.628 123.564 119.914 0.037 0.000 2.380 29 V HA 0.331 4.460 4.120 0.015 0.000 0.286 29 V C -0.683 175.442 176.094 0.052 0.000 1.015 29 V CA -0.662 61.664 62.300 0.044 0.000 0.834 29 V CB 1.407 33.256 31.823 0.044 0.000 1.009 29 V HN 0.518 nan 8.190 nan 0.000 0.428 30 I N 4.972 125.579 120.570 0.063 0.000 2.474 30 I HA 0.536 4.715 4.170 0.015 0.000 0.294 30 I C -0.141 176.045 176.117 0.115 0.000 1.005 30 I CA -0.785 60.572 61.300 0.095 0.000 1.113 30 I CB 1.920 39.980 38.000 0.099 0.000 1.289 30 I HN 0.343 nan 8.210 nan 0.000 0.436 31 V N 6.343 126.332 119.914 0.125 0.000 2.555 31 V HA 0.443 4.572 4.120 0.015 0.000 0.302 31 V C -0.736 175.447 176.094 0.148 0.000 1.038 31 V CA -0.411 61.948 62.300 0.098 0.000 0.887 31 V CB 1.876 33.705 31.823 0.009 0.000 0.991 31 V HN 0.808 nan 8.190 nan 0.000 0.434 32 H N 5.619 124.676 119.070 -0.021 0.000 2.481 32 H HA 0.619 5.184 4.556 0.014 0.000 0.333 32 H C -1.603 173.597 175.328 -0.213 0.000 1.066 32 H CA -0.542 55.368 56.048 -0.230 0.000 1.209 32 H CB 1.921 31.544 29.762 -0.231 0.000 1.445 32 H HN 0.510 nan 8.280 nan 0.000 0.488 33 V N 5.614 125.117 119.914 -0.684 0.000 2.417 33 V HA 0.151 4.280 4.120 0.015 0.000 0.291 33 V C -0.126 175.555 176.094 -0.689 0.000 1.024 33 V CA -0.613 61.376 62.300 -0.519 0.000 0.861 33 V CB 1.600 33.224 31.823 -0.331 0.000 0.985 33 V HN 0.752 nan 8.190 nan 0.000 0.436 34 D N 4.114 124.238 120.400 -0.460 0.000 2.542 34 D HA 0.373 5.022 4.640 0.015 0.000 0.252 34 D C -0.872 175.329 176.300 -0.167 0.000 1.222 34 D CA -0.466 53.330 54.000 -0.340 0.000 0.895 34 D CB 1.770 42.438 40.800 -0.220 0.000 1.207 34 D HN 0.174 nan 8.370 nan 0.000 0.558 35 L N 3.154 124.280 121.223 -0.161 0.000 2.426 35 L HA 0.176 4.525 4.340 0.015 0.000 0.271 35 L C 0.626 177.535 176.870 0.066 0.000 1.169 35 L CA 0.073 54.889 54.840 -0.040 0.000 0.836 35 L CB 0.361 42.381 42.059 -0.066 0.000 1.112 35 L HN 0.309 nan 8.230 nan 0.000 0.465 36 D N 1.553 122.029 120.400 0.126 0.000 2.424 36 D HA 0.010 4.659 4.640 0.015 0.000 0.244 36 D C 0.877 177.328 176.300 0.251 0.000 1.134 36 D CA 0.066 54.194 54.000 0.214 0.000 0.881 36 D CB 0.339 41.249 40.800 0.182 0.000 1.191 36 D HN 0.859 nan 8.370 nan 0.000 0.445 37 C N 2.655 122.094 119.300 0.232 0.000 2.784 37 C HA -0.240 4.229 4.460 0.015 0.000 0.202 37 C C 1.835 176.893 174.990 0.113 0.000 1.460 37 C CA -0.870 58.201 59.018 0.089 0.000 2.223 37 C CB -2.853 24.902 27.740 0.026 0.000 1.466 37 C HN 0.631 nan 8.230 nan 0.000 0.380 38 F N 1.551 121.476 119.950 -0.042 0.000 2.032 38 F HA -0.158 4.378 4.527 0.014 0.000 0.297 38 F C 2.356 178.209 175.800 0.089 0.000 1.125 38 F CA 2.279 60.290 58.000 0.019 0.000 1.202 38 F CB -0.928 38.071 39.000 -0.000 0.000 0.958 38 F HN 0.605 nan 8.300 nan 0.000 0.491 39 Y N -0.398 119.612 120.300 -0.484 0.000 2.165 39 Y HA -0.260 4.299 4.550 0.016 0.000 0.286 39 Y C 2.639 178.324 175.900 -0.359 0.000 1.155 39 Y CA 0.405 58.004 58.100 -0.834 0.000 1.164 39 Y CB -0.763 37.127 38.460 -0.950 0.000 0.978 39 Y HN 0.237 nan 8.280 nan 0.000 0.513 40 A N -0.041 122.762 122.820 -0.027 0.000 1.930 40 A HA -0.218 4.112 4.320 0.015 0.000 0.217 40 A C 2.069 179.674 177.584 0.035 0.000 1.175 40 A CA 1.356 53.401 52.037 0.014 0.000 0.627 40 A CB -0.662 18.343 19.000 0.007 0.000 0.815 40 A HN 0.464 nan 8.150 nan 0.000 0.443 41 Q N -0.393 119.433 119.800 0.043 0.000 2.061 41 Q HA -0.146 4.203 4.340 0.015 0.000 0.204 41 Q C 2.169 178.195 176.000 0.043 0.000 0.984 41 Q CA 1.933 57.782 55.803 0.076 0.000 0.846 41 Q CB -0.278 28.547 28.738 0.144 0.000 0.902 41 Q HN 0.499 nan 8.270 nan 0.000 0.421 42 V N 1.354 121.252 119.914 -0.027 0.000 2.332 42 V HA -0.244 3.885 4.120 0.015 0.000 0.248 42 V C 2.128 178.252 176.094 0.050 0.000 1.055 42 V CA 1.768 64.070 62.300 0.002 0.000 1.038 42 V CB -0.499 31.323 31.823 -0.001 0.000 0.651 42 V HN 0.329 nan 8.190 nan 0.000 0.450 43 E N -0.478 119.770 120.200 0.080 0.000 2.106 43 E HA -0.156 4.203 4.350 0.015 0.000 0.192 43 E C 2.145 178.770 176.600 0.042 0.000 0.984 43 E CA 1.256 57.696 56.400 0.067 0.000 0.806 43 E CB -0.290 29.458 29.700 0.080 0.000 0.750 43 E HN 0.566 nan 8.360 nan 0.000 0.458 44 M N -0.024 119.603 119.600 0.046 0.000 2.200 44 M HA -0.059 4.430 4.480 0.015 0.000 0.265 44 M C 2.290 178.614 176.300 0.040 0.000 1.066 44 M CA 0.952 56.279 55.300 0.045 0.000 1.127 44 M CB -0.165 32.469 32.600 0.058 0.000 1.379 44 M HN 0.032 nan 8.290 nan 0.000 0.420 45 I N -0.591 120.002 120.570 0.039 0.000 2.226 45 I HA -0.268 3.911 4.170 0.015 0.000 0.245 45 I C 2.322 178.448 176.117 0.015 0.000 1.100 45 I CA 1.166 62.484 61.300 0.029 0.000 1.374 45 I CB -0.309 37.709 38.000 0.029 0.000 1.057 45 I HN 0.199 nan 8.210 nan 0.000 0.413 46 S N -0.342 115.364 115.700 0.010 0.000 2.383 46 S HA -0.146 4.333 4.470 0.015 0.000 0.227 46 S C 1.057 175.658 174.600 0.001 0.000 1.026 46 S CA 0.913 59.111 58.200 -0.002 0.000 0.981 46 S CB -0.372 62.819 63.200 -0.015 0.000 0.818 46 S HN 0.468 nan 8.310 nan 0.000 0.472 47 N N 0.858 119.564 118.700 0.009 0.000 2.790 47 N HA 0.271 5.020 4.740 0.015 0.000 0.256 47 N C -2.857 172.663 175.510 0.018 0.000 1.409 47 N CA -1.717 51.339 53.050 0.010 0.000 0.799 47 N CB 1.154 39.647 38.487 0.009 0.000 1.170 47 N HN -0.094 nan 8.380 nan 0.000 0.507 48 P HA -0.093 nan 4.420 nan 0.000 0.240 48 P C 0.453 177.766 177.300 0.022 0.000 1.186 48 P CA 0.822 63.936 63.100 0.024 0.000 0.755 48 P CB 0.248 31.961 31.700 0.021 0.000 0.870 49 E N -0.675 119.536 120.200 0.019 0.000 2.318 49 E HA 0.016 4.375 4.350 0.015 0.000 0.193 49 E C 1.388 178.000 176.600 0.020 0.000 0.998 49 E CA 0.570 56.981 56.400 0.018 0.000 0.859 49 E CB -0.525 29.183 29.700 0.013 0.000 0.812 49 E HN 0.223 nan 8.360 nan 0.000 0.492 50 L N 0.404 121.641 121.223 0.023 0.000 2.567 50 L HA 0.122 4.471 4.340 0.015 0.000 0.225 50 L C 1.951 178.841 176.870 0.033 0.000 1.119 50 L CA 0.298 55.154 54.840 0.026 0.000 0.871 50 L CB -0.184 41.890 42.059 0.026 0.000 1.036 50 L HN 0.060 nan 8.230 nan 0.000 0.459 51 K N -0.852 119.569 120.400 0.036 0.000 2.217 51 K HA -0.092 4.238 4.320 0.015 0.000 0.202 51 K C 0.642 177.269 176.600 0.045 0.000 1.051 51 K CA 1.239 57.553 56.287 0.045 0.000 0.952 51 K CB 0.002 32.531 32.500 0.048 0.000 0.736 51 K HN 0.073 nan 8.250 nan 0.000 0.453 52 D N 0.641 121.063 120.400 0.037 0.000 2.369 52 D HA 0.144 4.794 4.640 0.015 0.000 0.211 52 D C -0.424 175.895 176.300 0.032 0.000 1.077 52 D CA 0.285 54.306 54.000 0.035 0.000 0.842 52 D CB 0.477 41.295 40.800 0.029 0.000 0.947 52 D HN 0.182 nan 8.370 nan 0.000 0.509 53 K N 1.074 121.493 120.400 0.031 0.000 2.267 53 K HA 0.376 4.705 4.320 0.015 0.000 0.246 53 K C -2.648 173.968 176.600 0.027 0.000 0.954 53 K CA -1.996 54.306 56.287 0.026 0.000 0.824 53 K CB 2.275 34.788 32.500 0.022 0.000 1.167 53 K HN -0.189 nan 8.250 nan 0.000 0.431 54 P HA 0.004 nan 4.420 nan 0.000 0.266 54 P C -1.012 176.295 177.300 0.012 0.000 1.215 54 P CA -0.154 62.956 63.100 0.016 0.000 0.763 54 P CB 0.407 32.114 31.700 0.012 0.000 0.806 55 L N 4.247 125.476 121.223 0.009 0.000 2.381 55 L HA 0.757 5.106 4.340 0.015 0.000 0.274 55 L C -0.199 176.668 176.870 -0.005 0.000 0.988 55 L CA -0.283 54.562 54.840 0.009 0.000 0.824 55 L CB 1.926 43.997 42.059 0.019 0.000 1.263 55 L HN 0.448 nan 8.230 nan 0.000 0.410 56 G N 4.049 112.847 108.800 -0.002 0.000 2.461 56 G HA2 0.590 4.560 3.960 0.015 0.000 0.323 56 G HA3 0.590 4.560 3.960 0.015 0.000 0.323 56 G C -1.527 173.376 174.900 0.005 0.000 1.229 56 G CA -0.524 44.570 45.100 -0.010 0.000 0.941 56 G HN 0.445 nan 8.290 nan 0.000 0.477 57 V N 2.135 122.053 119.914 0.006 0.000 2.383 57 V HA 0.375 4.504 4.120 0.015 0.000 0.275 57 V C 0.250 176.361 176.094 0.028 0.000 1.036 57 V CA -0.549 61.774 62.300 0.039 0.000 0.889 57 V CB 1.093 32.960 31.823 0.073 0.000 0.985 57 V HN 0.829 nan 8.190 nan 0.000 0.459 58 Q N 4.497 124.314 119.800 0.030 0.000 2.282 58 Q HA 0.550 4.899 4.340 0.015 0.000 0.260 58 Q C -1.072 174.932 176.000 0.006 0.000 0.964 58 Q CA -0.637 55.169 55.803 0.006 0.000 0.880 58 Q CB 1.703 30.445 28.738 0.008 0.000 1.286 58 Q HN 0.756 nan 8.270 nan 0.000 0.445 59 Q N 3.565 123.343 119.800 -0.036 0.000 2.303 59 Q HA 0.279 4.628 4.340 0.015 0.000 0.267 59 Q C -0.641 175.295 176.000 -0.105 0.000 1.011 59 Q CA -0.790 54.985 55.803 -0.046 0.000 0.740 59 Q CB 1.699 30.412 28.738 -0.042 0.000 1.250 59 Q HN 0.705 nan 8.270 nan 0.000 0.458 60 K N 0.066 120.443 120.400 -0.039 0.000 1.692 60 K HA -0.307 4.023 4.320 0.015 0.000 0.132 60 K C 0.944 177.556 176.600 0.020 0.000 1.028 60 K CA 2.507 58.796 56.287 0.005 0.000 0.304 60 K CB -1.495 31.008 32.500 0.005 0.000 0.686 60 K HN 0.923 nan 8.250 nan 0.000 0.815 61 Y N 0.912 121.219 120.300 0.013 0.000 2.461 61 Y HA 0.557 5.116 4.550 0.015 0.000 0.277 61 Y C 0.813 176.713 175.900 0.001 0.000 1.182 61 Y CA -0.475 57.630 58.100 0.008 0.000 1.276 61 Y CB 0.334 38.799 38.460 0.008 0.000 1.087 61 Y HN 0.176 nan 8.280 nan 0.000 0.519 62 L N 1.692 122.695 121.223 -0.366 0.000 2.334 62 L HA 0.467 4.816 4.340 0.015 0.000 0.276 62 L C -0.732 176.057 176.870 -0.134 0.000 1.014 62 L CA -1.319 53.341 54.840 -0.299 0.000 0.815 62 L CB 2.383 44.174 42.059 -0.446 0.000 1.268 62 L HN -0.117 nan 8.230 nan 0.000 0.428 63 V N 4.647 124.509 119.914 -0.086 0.000 2.322 63 V HA 0.018 4.147 4.120 0.015 0.000 0.258 63 V C 1.135 177.178 176.094 -0.086 0.000 1.074 63 V CA -0.263 61.999 62.300 -0.063 0.000 0.909 63 V CB 1.018 32.814 31.823 -0.044 0.000 1.090 63 V HN 0.745 nan 8.190 nan 0.000 0.486 64 V N 1.923 121.786 119.914 -0.084 0.000 2.453 64 V HA 0.078 4.207 4.120 0.015 0.000 0.247 64 V C 0.838 176.841 176.094 -0.151 0.000 1.048 64 V CA 1.824 64.055 62.300 -0.115 0.000 1.049 64 V CB 0.074 31.842 31.823 -0.091 0.000 0.672 64 V HN 0.748 nan 8.190 nan 0.000 0.457 65 T N -0.595 113.880 114.554 -0.131 0.000 2.792 65 T HA 0.654 5.013 4.350 0.015 0.000 0.303 65 T C -1.261 173.374 174.700 -0.107 0.000 1.310 65 T CA 0.049 62.057 62.100 -0.153 0.000 1.007 65 T CB 1.451 70.186 68.868 -0.221 0.000 1.335 65 T HN 1.097 nan 8.240 nan 0.000 0.504 66 C N 2.047 121.270 119.300 -0.129 0.000 3.239 66 C HA 0.768 5.237 4.460 0.015 0.000 0.317 66 C C 0.110 175.018 174.990 -0.137 0.000 1.310 66 C CA -1.333 57.624 59.018 -0.103 0.000 1.371 66 C CB 0.241 27.924 27.740 -0.095 0.000 1.714 66 C HN 1.149 nan 8.230 nan 0.000 0.473 67 N N -0.170 118.487 118.700 -0.071 0.000 2.317 67 N HA 0.135 4.884 4.740 0.015 0.000 0.245 67 N C 0.103 175.560 175.510 -0.088 0.000 1.294 67 N CA -0.305 52.727 53.050 -0.030 0.000 0.924 67 N CB 0.567 39.085 38.487 0.053 0.000 1.186 67 N HN 0.744 nan 8.380 nan 0.000 0.495 68 Y N -1.138 119.170 120.300 0.013 0.000 2.509 68 Y HA -0.102 4.460 4.550 0.020 0.000 0.293 68 Y C 2.483 178.389 175.900 0.011 0.000 1.133 68 Y CA 0.851 58.958 58.100 0.012 0.000 1.283 68 Y CB -0.204 38.265 38.460 0.016 0.000 1.001 68 Y HN 0.763 nan 8.280 nan 0.000 0.555 69 E N 0.234 120.506 120.200 0.119 0.000 2.106 69 E HA -0.167 4.192 4.350 0.015 0.000 0.192 69 E C 2.280 178.899 176.600 0.032 0.000 0.984 69 E CA 1.103 57.546 56.400 0.071 0.000 0.806 69 E CB -0.135 29.600 29.700 0.058 0.000 0.750 69 E HN 0.339 nan 8.360 nan 0.000 0.458 70 A N 0.769 123.591 122.820 0.003 0.000 1.968 70 A HA -0.056 4.273 4.320 0.015 0.000 0.217 70 A C 2.117 179.680 177.584 -0.035 0.000 1.169 70 A CA 1.023 53.049 52.037 -0.018 0.000 0.638 70 A CB -0.313 18.668 19.000 -0.032 0.000 0.812 70 A HN 0.155 nan 8.150 nan 0.000 0.446 71 R N -0.004 120.457 120.500 -0.064 0.000 2.120 71 R HA -0.088 4.261 4.340 0.015 0.000 0.234 71 R C 2.010 178.302 176.300 -0.013 0.000 1.123 71 R CA 1.499 57.553 56.100 -0.076 0.000 0.975 71 R CB -0.215 29.983 30.300 -0.169 0.000 0.866 71 R HN 0.496 nan 8.270 nan 0.000 0.446 72 K N 0.449 120.861 120.400 0.021 0.000 2.097 72 K HA -0.124 4.205 4.320 0.015 0.000 0.206 72 K C 1.590 178.200 176.600 0.016 0.000 1.049 72 K CA 1.117 57.423 56.287 0.032 0.000 0.933 72 K CB -0.062 32.465 32.500 0.045 0.000 0.717 72 K HN 0.141 nan 8.250 nan 0.000 0.442 73 L N -0.353 120.874 121.223 0.008 0.000 2.612 73 L HA 0.087 4.436 4.340 0.015 0.000 0.230 73 L C 1.057 177.926 176.870 -0.002 0.000 1.140 73 L CA 0.354 55.197 54.840 0.004 0.000 0.896 73 L CB 0.397 42.459 42.059 0.005 0.000 1.065 73 L HN 0.474 nan 8.230 nan 0.000 0.447 74 G N -1.066 107.729 108.800 -0.008 0.000 2.195 74 G HA2 -0.232 3.737 3.960 0.015 0.000 0.224 74 G HA3 -0.232 3.737 3.960 0.015 0.000 0.224 74 G C 0.258 175.145 174.900 -0.022 0.000 0.990 74 G CA -0.113 44.980 45.100 -0.012 0.000 0.639 74 G HN 0.035 nan 8.290 nan 0.000 0.514 75 V N 1.155 121.051 119.914 -0.029 0.000 2.521 75 V HA 0.520 4.649 4.120 0.015 0.000 0.286 75 V C 0.601 176.658 176.094 -0.061 0.000 1.034 75 V CA 0.300 62.576 62.300 -0.041 0.000 1.045 75 V CB 1.267 33.064 31.823 -0.042 0.000 0.974 75 V HN 0.309 nan 8.190 nan 0.000 0.480 76 K N 3.468 123.833 120.400 -0.059 0.000 2.221 76 K HA 0.511 4.840 4.320 0.015 0.000 0.243 76 K C -0.240 176.311 176.600 -0.083 0.000 0.968 76 K CA -0.806 55.438 56.287 -0.072 0.000 0.846 76 K CB 1.324 33.791 32.500 -0.055 0.000 1.141 76 K HN 0.549 nan 8.250 nan 0.000 0.434 77 K N 1.992 122.332 120.400 -0.100 0.000 2.436 77 K HA 0.114 4.443 4.320 0.015 0.000 0.275 77 K C -0.159 176.384 176.600 -0.095 0.000 0.999 77 K CA 0.061 56.281 56.287 -0.111 0.000 0.980 77 K CB 0.098 32.522 32.500 -0.127 0.000 0.919 77 K HN 0.493 nan 8.250 nan 0.000 0.484 78 L N 0.108 121.270 121.223 -0.101 0.000 3.717 78 L HA -0.242 4.107 4.340 0.015 0.000 0.411 78 L C 0.043 176.873 176.870 -0.066 0.000 1.233 78 L CA 0.241 55.023 54.840 -0.096 0.000 0.917 78 L CB -1.606 40.395 42.059 -0.097 0.000 1.902 78 L HN 0.752 nan 8.230 nan 0.000 0.894 79 M N 0.510 120.077 119.600 -0.056 0.000 2.314 79 M HA 0.313 4.802 4.480 0.015 0.000 0.342 79 M C 0.793 177.090 176.300 -0.003 0.000 1.171 79 M CA -0.151 55.134 55.300 -0.026 0.000 1.098 79 M CB 0.928 33.511 32.600 -0.028 0.000 1.559 79 M HN 0.225 nan 8.290 nan 0.000 0.459 80 N N 2.436 121.159 118.700 0.039 0.000 2.412 80 N HA -0.022 4.728 4.740 0.015 0.000 0.254 80 N C 0.702 176.251 175.510 0.065 0.000 1.232 80 N CA 0.050 53.158 53.050 0.096 0.000 0.880 80 N CB 1.076 39.621 38.487 0.097 0.000 1.076 80 N HN 0.650 nan 8.380 nan 0.000 0.458 81 V N 4.995 124.960 119.914 0.086 0.000 2.469 81 V HA -0.215 3.914 4.120 0.015 0.000 0.251 81 V C 2.518 178.639 176.094 0.045 0.000 1.064 81 V CA 1.494 63.826 62.300 0.054 0.000 1.066 81 V CB -0.368 31.493 31.823 0.063 0.000 0.667 81 V HN 0.634 nan 8.190 nan 0.000 0.461 82 R N -0.086 120.446 120.500 0.053 0.000 2.073 82 R HA -0.146 4.203 4.340 0.015 0.000 0.234 82 R C 2.050 178.364 176.300 0.023 0.000 1.134 82 R CA 1.759 57.879 56.100 0.034 0.000 0.952 82 R CB -0.700 29.617 30.300 0.029 0.000 0.850 82 R HN 0.514 nan 8.270 nan 0.000 0.433 83 D N 0.364 120.778 120.400 0.024 0.000 2.178 83 D HA -0.081 4.568 4.640 0.015 0.000 0.201 83 D C 1.723 178.028 176.300 0.008 0.000 0.980 83 D CA 1.308 55.316 54.000 0.014 0.000 0.842 83 D CB -0.107 40.701 40.800 0.013 0.000 0.948 83 D HN 0.208 nan 8.370 nan 0.000 0.472 84 A N 1.464 124.289 122.820 0.008 0.000 1.872 84 A HA -0.158 4.171 4.320 0.015 0.000 0.214 84 A C 2.008 179.594 177.584 0.003 0.000 1.187 84 A CA 1.672 53.709 52.037 0.001 0.000 0.614 84 A CB -0.387 18.611 19.000 -0.003 0.000 0.826 84 A HN 0.310 nan 8.150 nan 0.000 0.442 85 K N -0.438 119.967 120.400 0.008 0.000 2.365 85 K HA -0.038 4.292 4.320 0.015 0.000 0.197 85 K C 1.616 178.221 176.600 0.008 0.000 1.042 85 K CA 1.221 57.513 56.287 0.009 0.000 0.987 85 K CB -0.073 32.434 32.500 0.012 0.000 0.779 85 K HN 0.461 nan 8.250 nan 0.000 0.484 86 E N 2.406 122.611 120.200 0.008 0.000 2.076 86 E HA -0.141 4.218 4.350 0.015 0.000 0.190 86 E C 1.578 178.180 176.600 0.004 0.000 0.979 86 E CA 1.042 57.446 56.400 0.006 0.000 0.807 86 E CB 0.087 29.791 29.700 0.007 0.000 0.761 86 E HN 0.320 nan 8.360 nan 0.000 0.454 87 K N -0.689 119.712 120.400 0.003 0.000 2.288 87 K HA -0.040 4.289 4.320 0.015 0.000 0.201 87 K C 0.104 176.705 176.600 0.001 0.000 1.048 87 K CA 0.743 57.031 56.287 0.001 0.000 0.956 87 K CB 0.046 32.545 32.500 -0.002 0.000 0.746 87 K HN 0.097 nan 8.250 nan 0.000 0.461 88 C N 0.520 119.821 119.300 0.002 0.000 3.309 88 C HA 0.353 4.822 4.460 0.015 0.000 0.335 88 C C -2.351 172.642 174.990 0.005 0.000 1.018 88 C CA -1.747 57.273 59.018 0.003 0.000 1.326 88 C CB 0.851 28.591 27.740 0.000 0.000 1.752 88 C HN 0.182 nan 8.230 nan 0.000 0.567 89 P HA -0.110 nan 4.420 nan 0.000 0.220 89 P C 1.153 178.458 177.300 0.008 0.000 1.148 89 P CA 1.451 64.555 63.100 0.007 0.000 0.803 89 P CB 0.197 31.901 31.700 0.007 0.000 0.782 90 Q N -1.004 118.800 119.800 0.008 0.000 2.488 90 Q HA 0.008 4.357 4.340 0.015 0.000 0.211 90 Q C 0.592 176.598 176.000 0.009 0.000 0.967 90 Q CA 0.209 56.017 55.803 0.009 0.000 0.926 90 Q CB -0.817 27.927 28.738 0.010 0.000 0.992 90 Q HN 0.179 nan 8.270 nan 0.000 0.506 91 L N 1.701 122.928 121.223 0.008 0.000 2.654 91 L HA 0.029 4.378 4.340 0.015 0.000 0.271 91 L C -0.685 176.190 176.870 0.008 0.000 1.169 91 L CA 0.071 54.915 54.840 0.006 0.000 0.947 91 L CB 0.310 42.371 42.059 0.003 0.000 1.232 91 L HN -0.093 nan 8.230 nan 0.000 0.486 92 V N 6.970 126.890 119.914 0.010 0.000 2.555 92 V HA 0.232 4.361 4.120 0.015 0.000 0.286 92 V C 0.415 176.517 176.094 0.012 0.000 1.044 92 V CA -0.425 61.882 62.300 0.012 0.000 1.026 92 V CB 0.904 32.736 31.823 0.014 0.000 0.981 92 V HN 0.577 nan 8.190 nan 0.000 0.480 93 L N 5.679 126.910 121.223 0.013 0.000 2.341 93 L HA 0.732 5.082 4.340 0.015 0.000 0.278 93 L C -0.344 176.537 176.870 0.019 0.000 1.005 93 L CA -0.731 54.117 54.840 0.015 0.000 0.818 93 L CB 1.975 44.042 42.059 0.014 0.000 1.259 93 L HN 0.613 nan 8.230 nan 0.000 0.418 94 V N -0.304 119.624 119.914 0.025 0.000 2.815 94 V HA 0.531 4.660 4.120 0.015 0.000 0.314 94 V C -0.494 175.622 176.094 0.037 0.000 1.064 94 V CA -0.909 61.409 62.300 0.029 0.000 0.952 94 V CB 1.852 33.697 31.823 0.036 0.000 1.020 94 V HN 0.746 nan 8.190 nan 0.000 0.439 95 N N 2.254 120.972 118.700 0.030 0.000 2.422 95 N HA 0.574 5.323 4.740 0.015 0.000 0.264 95 N C 0.607 176.147 175.510 0.050 0.000 1.063 95 N CA 0.430 53.499 53.050 0.031 0.000 0.959 95 N CB 1.393 39.889 38.487 0.015 0.000 1.087 95 N HN 1.138 nan 8.380 nan 0.000 0.483 96 G N 2.300 111.149 108.800 0.082 0.000 4.044 96 G HA2 0.061 4.030 3.960 0.015 0.000 0.297 96 G HA3 0.061 4.030 3.960 0.015 0.000 0.297 96 G C 0.525 175.491 174.900 0.111 0.000 1.101 96 G CA -0.265 44.927 45.100 0.153 0.000 0.884 96 G HN 0.647 nan 8.290 nan 0.000 0.538 97 E N 0.156 120.383 120.200 0.046 0.000 2.107 97 E HA -0.069 4.290 4.350 0.015 0.000 0.191 97 E C 0.408 177.015 176.600 0.012 0.000 0.982 97 E CA 0.376 56.794 56.400 0.030 0.000 0.809 97 E CB 0.240 29.951 29.700 0.018 0.000 0.756 97 E HN 0.264 nan 8.360 nan 0.000 0.459 98 D N 0.652 121.034 120.400 -0.031 0.000 2.352 98 D HA 0.012 4.661 4.640 0.015 0.000 0.245 98 D C 0.580 176.794 176.300 -0.143 0.000 1.224 98 D CA 0.060 54.016 54.000 -0.073 0.000 0.879 98 D CB 0.744 41.484 40.800 -0.100 0.000 1.057 98 D HN 0.067 nan 8.370 nan 0.000 0.491 99 L N 3.068 124.265 121.223 -0.044 0.000 2.599 99 L HA -0.051 4.298 4.340 0.015 0.000 0.230 99 L C 2.027 178.859 176.870 -0.064 0.000 1.141 99 L CA 0.147 55.004 54.840 0.028 0.000 0.877 99 L CB -0.418 41.804 42.059 0.272 0.000 1.009 99 L HN 0.374 nan 8.230 nan 0.000 0.447 100 T N 0.318 114.790 114.554 -0.136 0.000 2.592 100 T HA -0.286 4.073 4.350 0.015 0.000 0.267 100 T C 2.016 176.624 174.700 -0.152 0.000 1.060 100 T CA 1.798 63.827 62.100 -0.118 0.000 1.167 100 T CB -0.200 68.588 68.868 -0.133 0.000 0.863 100 T HN 0.411 nan 8.240 nan 0.000 0.431 101 R N -0.189 120.119 120.500 -0.320 0.000 2.092 101 R HA -0.034 4.315 4.340 0.015 0.000 0.231 101 R C 2.451 178.640 176.300 -0.185 0.000 1.119 101 R CA 1.297 57.226 56.100 -0.285 0.000 0.970 101 R CB -0.457 29.624 30.300 -0.366 0.000 0.864 101 R HN 0.481 nan 8.270 nan 0.000 0.440 102 Y N 0.652 120.905 120.300 -0.078 0.000 2.200 102 Y HA -0.115 4.445 4.550 0.016 0.000 0.290 102 Y C 2.462 178.484 175.900 0.204 0.000 1.137 102 Y CA 0.726 58.826 58.100 0.001 0.000 1.163 102 Y CB -0.637 37.769 38.460 -0.091 0.000 0.988 102 Y HN -0.025 nan 8.280 nan 0.000 0.518 103 R N 0.747 121.367 120.500 0.201 0.000 2.073 103 R HA -0.171 4.179 4.340 0.015 0.000 0.234 103 R C 1.995 178.314 176.300 0.031 0.000 1.134 103 R CA 1.830 57.837 56.100 -0.155 0.000 0.952 103 R CB -0.145 30.130 30.300 -0.043 0.000 0.850 103 R HN 0.431 nan 8.270 nan 0.000 0.433 104 E N -0.060 120.183 120.200 0.071 0.000 2.038 104 E HA -0.267 4.092 4.350 0.015 0.000 0.195 104 E C 1.965 178.646 176.600 0.134 0.000 1.000 104 E CA 1.755 58.212 56.400 0.095 0.000 0.803 104 E CB -0.167 29.551 29.700 0.030 0.000 0.750 104 E HN 0.217 nan 8.360 nan 0.000 0.448 105 M N 0.636 120.332 119.600 0.161 0.000 2.159 105 M HA -0.168 4.321 4.480 0.015 0.000 0.263 105 M C 2.346 178.787 176.300 0.234 0.000 1.063 105 M CA 1.240 56.677 55.300 0.228 0.000 1.110 105 M CB -0.274 32.512 32.600 0.310 0.000 1.374 105 M HN -0.002 nan 8.290 nan 0.000 0.411 106 S N -0.996 114.834 115.700 0.218 0.000 2.359 106 S HA -0.213 4.266 4.470 0.015 0.000 0.224 106 S C 1.932 176.390 174.600 -0.236 0.000 1.035 106 S CA 1.556 59.698 58.200 -0.095 0.000 1.018 106 S CB -0.472 62.526 63.200 -0.337 0.000 0.876 106 S HN 0.607 nan 8.310 nan 0.000 0.448 107 Y N 1.522 121.794 120.300 -0.047 0.000 2.242 107 Y HA 0.061 4.620 4.550 0.016 0.000 0.291 107 Y C 2.506 178.409 175.900 0.005 0.000 1.137 107 Y CA 1.309 59.393 58.100 -0.026 0.000 1.181 107 Y CB -0.100 38.346 38.460 -0.024 0.000 0.989 107 Y HN 0.244 nan 8.280 nan 0.000 0.527 108 K N -0.478 120.008 120.400 0.142 0.000 2.103 108 K HA -0.160 4.169 4.320 0.015 0.000 0.207 108 K C 1.966 178.607 176.600 0.069 0.000 1.048 108 K CA 1.560 57.907 56.287 0.101 0.000 0.930 108 K CB -0.447 32.108 32.500 0.091 0.000 0.716 108 K HN 0.148 nan 8.250 nan 0.000 0.444 109 V N 0.995 120.929 119.914 0.032 0.000 2.307 109 V HA -0.239 3.891 4.120 0.015 0.000 0.245 109 V C 2.671 178.755 176.094 -0.018 0.000 1.045 109 V CA 2.305 64.602 62.300 -0.006 0.000 1.024 109 V CB -0.585 31.194 31.823 -0.072 0.000 0.651 109 V HN 0.524 nan 8.190 nan 0.000 0.449 110 T N -0.732 113.794 114.554 -0.048 0.000 2.788 110 T HA -0.243 4.116 4.350 0.015 0.000 0.268 110 T C 1.701 176.436 174.700 0.058 0.000 1.044 110 T CA 2.059 64.149 62.100 -0.017 0.000 1.139 110 T CB -0.291 68.539 68.868 -0.064 0.000 0.867 110 T HN 0.631 nan 8.240 nan 0.000 0.454 111 E N 0.439 120.694 120.200 0.091 0.000 2.077 111 E HA -0.058 4.301 4.350 0.015 0.000 0.193 111 E C 2.244 178.904 176.600 0.101 0.000 0.989 111 E CA 1.301 57.761 56.400 0.101 0.000 0.800 111 E CB -0.330 29.432 29.700 0.102 0.000 0.746 111 E HN 0.524 nan 8.360 nan 0.000 0.452 112 L N 0.915 122.199 121.223 0.103 0.000 2.017 112 L HA -0.200 4.150 4.340 0.015 0.000 0.208 112 L C 2.183 179.196 176.870 0.238 0.000 1.073 112 L CA 1.214 56.141 54.840 0.144 0.000 0.745 112 L CB -0.086 42.051 42.059 0.131 0.000 0.894 112 L HN 0.158 nan 8.230 nan 0.000 0.432 113 L N -0.398 120.924 121.223 0.166 0.000 2.141 113 L HA -0.197 4.153 4.340 0.015 0.000 0.209 113 L C 2.389 179.394 176.870 0.224 0.000 1.094 113 L CA 1.227 56.167 54.840 0.168 0.000 0.763 113 L CB -0.575 41.489 42.059 0.009 0.000 0.908 113 L HN 0.332 nan 8.230 nan 0.000 0.437 114 E N -0.027 120.265 120.200 0.154 0.000 2.338 114 E HA -0.201 4.159 4.350 0.015 0.000 0.197 114 E C 1.930 178.604 176.600 0.125 0.000 1.007 114 E CA 0.546 57.023 56.400 0.128 0.000 0.849 114 E CB 0.062 29.819 29.700 0.095 0.000 0.774 114 E HN 0.475 nan 8.360 nan 0.000 0.506 115 E N -0.307 119.973 120.200 0.133 0.000 2.204 115 E HA -0.141 4.219 4.350 0.015 0.000 0.194 115 E C 1.435 178.022 176.600 -0.022 0.000 0.989 115 E CA 0.618 57.038 56.400 0.033 0.000 0.824 115 E CB 0.043 29.727 29.700 -0.027 0.000 0.756 115 E HN 0.242 nan 8.360 nan 0.000 0.477 116 F N 0.445 120.407 119.950 0.020 0.000 2.098 116 F HA -0.034 4.503 4.527 0.016 0.000 0.294 116 F C 1.453 177.266 175.800 0.022 0.000 1.107 116 F CA 0.622 58.634 58.000 0.020 0.000 1.234 116 F CB 0.200 39.211 39.000 0.019 0.000 1.002 116 F HN -0.225 nan 8.300 nan 0.000 0.472 117 S N -0.208 115.630 115.700 0.229 0.000 2.572 117 S HA 0.337 4.816 4.470 0.015 0.000 0.274 117 S C -2.243 172.422 174.600 0.108 0.000 1.150 117 S CA -1.388 56.892 58.200 0.133 0.000 0.944 117 S CB 1.724 64.997 63.200 0.122 0.000 1.071 117 S HN -0.172 nan 8.310 nan 0.000 0.479 118 P HA 0.053 nan 4.420 nan 0.000 0.230 118 P C 0.150 177.491 177.300 0.068 0.000 1.158 118 P CA 0.465 63.605 63.100 0.068 0.000 0.769 118 P CB 0.000 31.730 31.700 0.050 0.000 0.807 119 V N 1.830 121.785 119.914 0.068 0.000 2.258 119 V HA 0.147 4.276 4.120 0.015 0.000 0.258 119 V C 0.118 176.259 176.094 0.079 0.000 1.121 119 V CA -0.334 62.005 62.300 0.065 0.000 0.942 119 V CB 1.070 32.924 31.823 0.053 0.000 1.170 119 V HN -0.209 nan 8.190 nan 0.000 0.487 120 V N 4.166 124.130 119.914 0.083 0.000 2.487 120 V HA 0.430 4.559 4.120 0.015 0.000 0.298 120 V C -0.052 176.103 176.094 0.102 0.000 1.028 120 V CA -0.708 61.647 62.300 0.092 0.000 0.860 120 V CB 2.116 33.983 31.823 0.073 0.000 0.991 120 V HN 0.810 nan 8.190 nan 0.000 0.427 121 E N 4.491 124.779 120.200 0.147 0.000 2.134 121 E HA 0.462 4.822 4.350 0.015 0.000 0.278 121 E C -0.392 176.317 176.600 0.182 0.000 0.959 121 E CA -0.736 55.769 56.400 0.174 0.000 0.783 121 E CB 1.023 30.854 29.700 0.218 0.000 1.095 121 E HN 0.553 nan 8.360 nan 0.000 0.399 122 R N 2.824 123.392 120.500 0.114 0.000 2.441 122 R HA 0.354 4.703 4.340 0.015 0.000 0.284 122 R C -0.737 175.636 176.300 0.121 0.000 1.070 122 R CA -0.637 55.500 56.100 0.061 0.000 1.047 122 R CB 0.727 31.029 30.300 0.002 0.000 1.016 122 R HN 0.294 nan 8.270 nan 0.000 0.477 123 L N 2.507 123.780 121.223 0.083 0.000 2.427 123 L HA 0.409 4.758 4.340 0.015 0.000 0.264 123 L C 0.160 177.069 176.870 0.065 0.000 0.989 123 L CA 0.603 55.513 54.840 0.116 0.000 0.865 123 L CB 1.168 43.339 42.059 0.186 0.000 1.209 123 L HN 0.881 nan 8.230 nan 0.000 0.430 124 G N 3.234 112.094 108.800 0.101 0.000 2.645 124 G HA2 -0.342 3.627 3.960 0.015 0.000 0.246 124 G HA3 -0.342 3.627 3.960 0.015 0.000 0.246 124 G C 0.284 175.337 174.900 0.254 0.000 1.322 124 G CA 0.296 45.476 45.100 0.134 0.000 0.898 124 G HN 0.394 nan 8.290 nan 0.000 0.573 125 F N 1.538 121.461 119.950 -0.045 0.000 2.664 125 F HA 0.209 4.745 4.527 0.014 0.000 0.296 125 F C 2.248 177.821 175.800 -0.377 0.000 1.125 125 F CA 1.351 59.304 58.000 -0.077 0.000 1.444 125 F CB 0.130 39.266 39.000 0.226 0.000 1.114 125 F HN 0.580 nan 8.300 nan 0.000 0.576 126 D N -1.013 119.255 120.400 -0.220 0.000 2.503 126 D HA 0.039 4.688 4.640 0.015 0.000 0.218 126 D C -0.177 175.902 176.300 -0.369 0.000 1.183 126 D CA 0.204 53.878 54.000 -0.544 0.000 0.827 126 D CB 0.072 40.535 40.800 -0.562 0.000 1.034 126 D HN 0.207 nan 8.370 nan 0.000 0.510 127 E N 0.154 120.192 120.200 -0.270 0.000 2.266 127 E HA 0.467 4.826 4.350 0.015 0.000 0.268 127 E C -0.807 175.607 176.600 -0.310 0.000 0.879 127 E CA -0.800 55.400 56.400 -0.333 0.000 0.762 127 E CB 1.817 31.396 29.700 -0.201 0.000 1.199 127 E HN 0.023 nan 8.360 nan 0.000 0.422 128 N N 2.063 120.507 118.700 -0.427 0.000 2.235 128 N HA 0.376 5.126 4.740 0.015 0.000 0.293 128 N C -1.421 173.871 175.510 -0.362 0.000 1.083 128 N CA -0.485 52.400 53.050 -0.275 0.000 0.801 128 N CB 1.580 39.958 38.487 -0.181 0.000 1.559 128 N HN 0.226 nan 8.380 nan 0.000 0.472 129 F N 0.602 120.569 119.950 0.029 0.000 2.422 129 F HA 0.549 5.086 4.527 0.016 0.000 0.333 129 F C 0.393 176.203 175.800 0.016 0.000 1.095 129 F CA -0.754 57.275 58.000 0.049 0.000 1.038 129 F CB 1.513 40.554 39.000 0.068 0.000 1.156 129 F HN -0.034 nan 8.300 nan 0.000 0.483 130 V N 1.484 121.522 119.914 0.205 0.000 2.638 130 V HA 0.227 4.356 4.120 0.015 0.000 0.306 130 V C -0.937 175.226 176.094 0.115 0.000 1.052 130 V CA -0.947 61.426 62.300 0.120 0.000 0.885 130 V CB 1.861 33.715 31.823 0.052 0.000 0.999 130 V HN 0.624 nan 8.190 nan 0.000 0.424 131 D N 3.878 124.333 120.400 0.091 0.000 2.352 131 D HA 0.271 4.921 4.640 0.015 0.000 0.245 131 D C 0.639 176.978 176.300 0.065 0.000 1.224 131 D CA 0.021 54.062 54.000 0.068 0.000 0.879 131 D CB 1.395 42.224 40.800 0.048 0.000 1.057 131 D HN 0.517 nan 8.370 nan 0.000 0.491 132 L N 3.191 124.450 121.223 0.061 0.000 2.592 132 L HA -0.013 4.336 4.340 0.015 0.000 0.227 132 L C 2.428 179.331 176.870 0.055 0.000 1.127 132 L CA 0.270 55.147 54.840 0.062 0.000 0.884 132 L CB -0.160 41.931 42.059 0.054 0.000 1.065 132 L HN 0.448 nan 8.230 nan 0.000 0.457 133 T N -2.522 112.060 114.554 0.047 0.000 2.746 133 T HA -0.197 4.163 4.350 0.015 0.000 0.267 133 T C 1.516 176.239 174.700 0.038 0.000 1.039 133 T CA 1.272 63.396 62.100 0.040 0.000 1.142 133 T CB -0.071 68.816 68.868 0.033 0.000 0.866 133 T HN 0.365 nan 8.240 nan 0.000 0.444 134 E N 0.326 120.550 120.200 0.039 0.000 2.106 134 E HA -0.052 4.308 4.350 0.015 0.000 0.192 134 E C 2.211 178.836 176.600 0.042 0.000 0.984 134 E CA 1.211 57.633 56.400 0.036 0.000 0.806 134 E CB -0.272 29.449 29.700 0.035 0.000 0.750 134 E HN 0.536 nan 8.360 nan 0.000 0.458 135 M N 0.597 120.229 119.600 0.053 0.000 2.117 135 M HA -0.167 4.322 4.480 0.015 0.000 0.262 135 M C 2.225 178.558 176.300 0.054 0.000 1.065 135 M CA 1.187 56.524 55.300 0.062 0.000 1.114 135 M CB 0.103 32.757 32.600 0.090 0.000 1.361 135 M HN -0.014 nan 8.290 nan 0.000 0.408 136 V N 0.759 120.704 119.914 0.051 0.000 2.287 136 V HA -0.295 3.834 4.120 0.015 0.000 0.248 136 V C 2.001 178.117 176.094 0.037 0.000 1.053 136 V CA 2.214 64.541 62.300 0.045 0.000 1.027 136 V CB -0.851 30.998 31.823 0.043 0.000 0.646 136 V HN 0.532 nan 8.190 nan 0.000 0.447 137 E N -0.366 119.854 120.200 0.034 0.000 2.153 137 E HA -0.200 4.159 4.350 0.015 0.000 0.194 137 E C 2.295 178.910 176.600 0.026 0.000 0.988 137 E CA 0.841 57.258 56.400 0.028 0.000 0.811 137 E CB -0.116 29.599 29.700 0.025 0.000 0.746 137 E HN 0.438 nan 8.360 nan 0.000 0.466 138 K N 0.779 121.195 120.400 0.028 0.000 2.057 138 K HA -0.053 4.276 4.320 0.015 0.000 0.206 138 K C 2.078 178.692 176.600 0.024 0.000 1.050 138 K CA 0.833 57.135 56.287 0.024 0.000 0.935 138 K CB -0.184 32.330 32.500 0.024 0.000 0.715 138 K HN 0.101 nan 8.250 nan 0.000 0.439 139 R N 0.596 121.114 120.500 0.029 0.000 2.075 139 R HA 0.016 4.365 4.340 0.015 0.000 0.232 139 R C 2.510 178.825 176.300 0.025 0.000 1.126 139 R CA 0.837 56.955 56.100 0.029 0.000 0.963 139 R CB -0.348 29.973 30.300 0.036 0.000 0.858 139 R HN 0.118 nan 8.270 nan 0.000 0.435 140 L N 0.730 121.968 121.223 0.025 0.000 2.017 140 L HA -0.220 4.129 4.340 0.015 0.000 0.208 140 L C 2.454 179.335 176.870 0.018 0.000 1.073 140 L CA 1.458 56.311 54.840 0.022 0.000 0.745 140 L CB -0.501 41.572 42.059 0.024 0.000 0.894 140 L HN 0.244 nan 8.230 nan 0.000 0.432 141 Q N -0.427 119.383 119.800 0.017 0.000 2.217 141 Q HA -0.303 4.046 4.340 0.015 0.000 0.209 141 Q C 2.107 178.115 176.000 0.012 0.000 0.988 141 Q CA 1.708 57.519 55.803 0.014 0.000 0.878 141 Q CB -0.086 28.660 28.738 0.013 0.000 0.909 141 Q HN 0.450 nan 8.270 nan 0.000 0.424 142 Q N -0.770 119.038 119.800 0.013 0.000 2.424 142 Q HA 0.047 4.396 4.340 0.015 0.000 0.204 142 Q C -0.555 175.452 176.000 0.011 0.000 0.933 142 Q CA 0.154 55.964 55.803 0.012 0.000 0.929 142 Q CB 0.503 29.249 28.738 0.012 0.000 1.037 142 Q HN 0.120 nan 8.270 nan 0.000 0.511 143 L N 0.870 122.100 121.223 0.013 0.000 2.395 143 L HA 0.181 4.531 4.340 0.015 0.000 0.269 143 L C 0.180 177.057 176.870 0.010 0.000 1.133 143 L CA 0.246 55.093 54.840 0.012 0.000 0.812 143 L CB 1.006 43.074 42.059 0.014 0.000 1.125 143 L HN 0.079 nan 8.230 nan 0.000 0.452 144 Q N 0.325 120.130 119.800 0.009 0.000 2.162 144 Q HA 0.380 4.730 4.340 0.015 0.000 0.197 144 Q C 1.303 177.308 176.000 0.008 0.000 1.013 144 Q CA -0.190 55.617 55.803 0.007 0.000 1.040 144 Q CB 0.566 29.307 28.738 0.006 0.000 1.114 144 Q HN 0.674 nan 8.270 nan 0.000 0.547 145 S N 0.763 116.467 115.700 0.006 0.000 2.354 145 S HA -0.235 4.244 4.470 0.015 0.000 0.219 145 S C 1.303 175.907 174.600 0.006 0.000 1.035 145 S CA 1.926 60.129 58.200 0.006 0.000 1.037 145 S CB -0.735 62.468 63.200 0.005 0.000 0.956 145 S HN 0.841 nan 8.310 nan 0.000 0.428 146 D N 1.677 122.080 120.400 0.006 0.000 2.221 146 D HA -0.174 4.475 4.640 0.015 0.000 0.204 146 D C 1.446 177.750 176.300 0.006 0.000 0.982 146 D CA 1.072 55.075 54.000 0.005 0.000 0.857 146 D CB -0.542 40.260 40.800 0.004 0.000 0.934 146 D HN 0.483 nan 8.370 nan 0.000 0.475 147 E N -0.549 119.656 120.200 0.007 0.000 2.418 147 E HA -0.040 4.319 4.350 0.015 0.000 0.197 147 E C 1.378 177.984 176.600 0.011 0.000 1.026 147 E CA 0.124 56.529 56.400 0.009 0.000 0.862 147 E CB 0.031 29.737 29.700 0.009 0.000 0.799 147 E HN 0.310 nan 8.360 nan 0.000 0.518 148 L N 0.322 121.552 121.223 0.011 0.000 2.478 148 L HA -0.019 4.330 4.340 0.015 0.000 0.223 148 L C 2.090 178.968 176.870 0.015 0.000 1.140 148 L CA 1.039 55.888 54.840 0.014 0.000 0.842 148 L CB 0.028 42.096 42.059 0.014 0.000 0.953 148 L HN -0.083 nan 8.230 nan 0.000 0.452 149 S N -1.220 114.486 115.700 0.011 0.000 2.436 149 S HA 0.198 4.677 4.470 0.015 0.000 0.228 149 S C 1.512 176.118 174.600 0.010 0.000 1.014 149 S CA 0.825 59.031 58.200 0.010 0.000 0.950 149 S CB 0.240 63.444 63.200 0.007 0.000 0.784 149 S HN 0.561 nan 8.310 nan 0.000 0.504 150 A N -0.631 122.194 122.820 0.009 0.000 2.285 150 A HA -0.119 4.210 4.320 0.015 0.000 0.199 150 A C 0.359 177.948 177.584 0.009 0.000 1.171 150 A CA 0.134 52.176 52.037 0.008 0.000 1.252 150 A CB -1.324 17.681 19.000 0.008 0.000 1.275 150 A HN 0.287 nan 8.150 nan 0.000 0.641 151 V N 2.031 121.953 119.914 0.013 0.000 2.655 151 V HA 0.494 4.623 4.120 0.015 0.000 0.300 151 V C 0.646 176.747 176.094 0.012 0.000 1.044 151 V CA 1.327 63.636 62.300 0.015 0.000 1.095 151 V CB 1.007 32.844 31.823 0.023 0.000 0.952 151 V HN 0.986 nan 8.190 nan 0.000 0.485 152 T N 3.611 118.168 114.554 0.006 0.000 2.906 152 T HA 0.595 4.955 4.350 0.015 0.000 0.295 152 T C -0.529 174.165 174.700 -0.010 0.000 1.061 152 T CA -0.567 61.530 62.100 -0.004 0.000 1.000 152 T CB 1.611 70.472 68.868 -0.011 0.000 1.103 152 T HN 0.606 nan 8.240 nan 0.000 0.486 153 V N 2.531 122.433 119.914 -0.020 0.000 2.924 153 V HA 0.616 4.745 4.120 0.015 0.000 0.305 153 V C 0.595 176.662 176.094 -0.046 0.000 1.073 153 V CA -0.698 61.584 62.300 -0.030 0.000 1.098 153 V CB 1.177 32.975 31.823 -0.043 0.000 1.000 153 V HN 0.856 nan 8.190 nan 0.000 0.484 154 S N 2.537 118.210 115.700 -0.046 0.000 2.456 154 S HA 0.742 5.221 4.470 0.015 0.000 0.316 154 S C 0.212 174.758 174.600 -0.090 0.000 1.089 154 S CA 0.606 58.767 58.200 -0.066 0.000 1.101 154 S CB 0.246 63.420 63.200 -0.043 0.000 0.995 154 S HN 2.513 nan 8.310 nan 0.000 0.468 155 G N 4.051 112.755 108.800 -0.161 0.000 2.568 155 G HA2 -0.149 3.820 3.960 0.015 0.000 0.222 155 G HA3 -0.149 3.820 3.960 0.015 0.000 0.222 155 G C -0.930 173.786 174.900 -0.306 0.000 1.321 155 G CA -0.444 44.503 45.100 -0.254 0.000 0.893 155 G HN 0.970 nan 8.290 nan 0.000 0.569 156 H N -1.242 117.729 119.070 -0.166 0.000 2.562 156 H HA 0.505 5.059 4.556 -0.004 0.000 0.352 156 H C 0.486 175.786 175.328 -0.048 0.000 1.125 156 H CA 0.061 55.985 56.048 -0.207 0.000 1.379 156 H CB 1.429 30.915 29.762 -0.459 0.000 1.464 156 H HN 0.443 nan 8.280 nan 0.000 0.563 157 V N 3.527 123.493 119.914 0.086 0.000 2.394 157 V HA 0.004 4.133 4.120 0.015 0.000 0.282 157 V C -0.342 175.845 176.094 0.155 0.000 1.031 157 V CA -0.764 61.590 62.300 0.090 0.000 0.881 157 V CB 0.201 32.031 31.823 0.011 0.000 0.982 157 V HN 0.651 nan 8.190 nan 0.000 0.451 158 Y N 5.779 126.134 120.300 0.093 0.000 2.712 158 Y HA 0.030 4.592 4.550 0.020 0.000 0.333 158 Y C 1.310 177.226 175.900 0.027 0.000 1.225 158 Y CA 1.109 59.271 58.100 0.103 0.000 1.499 158 Y CB 0.034 38.536 38.460 0.071 0.000 1.288 158 Y HN 0.918 nan 8.280 nan 0.000 0.575 159 N N 3.379 121.532 118.700 -0.912 0.000 2.753 159 N HA -0.365 4.384 4.740 0.015 0.000 0.251 159 N C -0.038 175.280 175.510 -0.319 0.000 1.097 159 N CA 1.338 53.928 53.050 -0.767 0.000 0.786 159 N CB -1.469 36.499 38.487 -0.865 0.000 1.137 159 N HN 0.868 nan 8.380 nan 0.000 0.566 160 N N -0.787 117.817 118.700 -0.159 0.000 2.708 160 N HA -0.281 4.468 4.740 0.015 0.000 0.249 160 N C -0.562 174.907 175.510 -0.069 0.000 1.097 160 N CA 1.275 54.281 53.050 -0.074 0.000 0.710 160 N CB -0.655 37.794 38.487 -0.064 0.000 1.032 160 N HN 0.772 nan 8.380 nan 0.000 0.551 161 Q N 0.314 120.074 119.800 -0.068 0.000 2.364 161 Q HA 0.163 4.512 4.340 0.015 0.000 0.267 161 Q C -0.367 175.621 176.000 -0.020 0.000 0.999 161 Q CA 0.127 55.906 55.803 -0.040 0.000 0.886 161 Q CB 0.621 29.345 28.738 -0.025 0.000 1.243 161 Q HN 0.188 nan 8.270 nan 0.000 0.415 162 S N 3.338 119.044 115.700 0.009 0.000 2.549 162 S HA 0.166 4.645 4.470 0.015 0.000 0.283 162 S C 0.080 174.720 174.600 0.067 0.000 1.320 162 S CA -0.286 57.932 58.200 0.030 0.000 1.058 162 S CB 0.210 63.434 63.200 0.041 0.000 0.882 162 S HN 0.453 nan 8.310 nan 0.000 0.498 163 I N 3.615 124.223 120.570 0.063 0.000 2.474 163 I HA 0.177 4.356 4.170 0.015 0.000 0.287 163 I C 0.497 176.740 176.117 0.209 0.000 1.048 163 I CA -0.256 61.125 61.300 0.135 0.000 1.383 163 I CB 0.618 38.653 38.000 0.059 0.000 1.412 163 I HN 0.448 nan 8.210 nan 0.000 0.531 164 N N 6.598 125.526 118.700 0.379 0.000 2.518 164 N HA 0.283 5.032 4.740 0.015 0.000 0.254 164 N C 0.285 175.843 175.510 0.080 0.000 0.979 164 N CA -0.313 52.806 53.050 0.115 0.000 0.930 164 N CB 1.240 39.698 38.487 -0.048 0.000 1.152 164 N HN 0.581 nan 8.380 nan 0.000 0.505 165 L N 2.385 123.645 121.223 0.061 0.000 2.551 165 L HA -0.013 4.336 4.340 0.015 0.000 0.228 165 L C 1.128 178.008 176.870 0.017 0.000 1.153 165 L CA 0.385 55.254 54.840 0.049 0.000 0.851 165 L CB 0.034 42.115 42.059 0.037 0.000 0.959 165 L HN 0.437 nan 8.230 nan 0.000 0.451 166 L N -1.048 120.171 121.223 -0.008 0.000 2.558 166 L HA 0.084 4.433 4.340 0.015 0.000 0.225 166 L C 0.757 177.598 176.870 -0.049 0.000 1.128 166 L CA 0.828 55.655 54.840 -0.023 0.000 0.868 166 L CB -0.441 41.604 42.059 -0.023 0.000 1.006 166 L HN 0.046 nan 8.230 nan 0.000 0.454 167 D N -0.397 119.947 120.400 -0.094 0.000 2.380 167 D HA 0.002 4.651 4.640 0.015 0.000 0.230 167 D C 1.294 177.563 176.300 -0.052 0.000 1.154 167 D CA 0.090 53.996 54.000 -0.156 0.000 0.859 167 D CB 1.726 42.242 40.800 -0.473 0.000 1.045 167 D HN -0.092 nan 8.370 nan 0.000 0.495 168 V N 5.420 125.321 119.914 -0.021 0.000 2.568 168 V HA -0.211 3.918 4.120 0.015 0.000 0.253 168 V C 2.097 178.219 176.094 0.046 0.000 1.072 168 V CA 1.563 63.872 62.300 0.016 0.000 1.084 168 V CB -0.230 31.599 31.823 0.010 0.000 0.676 168 V HN 0.604 nan 8.190 nan 0.000 0.469 169 L N -0.947 120.308 121.223 0.053 0.000 2.056 169 L HA -0.118 4.231 4.340 0.015 0.000 0.207 169 L C 2.594 179.581 176.870 0.196 0.000 1.078 169 L CA 1.642 56.546 54.840 0.107 0.000 0.749 169 L CB -0.891 41.234 42.059 0.111 0.000 0.901 169 L HN 0.366 nan 8.230 nan 0.000 0.433 170 H N -0.084 119.000 119.070 0.024 0.000 2.319 170 H HA -0.151 4.416 4.556 0.017 0.000 0.299 170 H C 2.259 177.600 175.328 0.023 0.000 1.092 170 H CA 1.343 57.407 56.048 0.025 0.000 1.302 170 H CB -0.210 29.566 29.762 0.023 0.000 1.373 170 H HN 0.114 nan 8.280 nan 0.000 0.497 171 I N 0.554 121.217 120.570 0.154 0.000 2.208 171 I HA -0.251 3.928 4.170 0.015 0.000 0.245 171 I C 2.285 178.441 176.117 0.066 0.000 1.097 171 I CA 1.292 62.644 61.300 0.086 0.000 1.363 171 I CB -0.727 37.308 38.000 0.058 0.000 1.051 171 I HN 0.226 nan 8.210 nan 0.000 0.413 172 R N 0.317 120.857 120.500 0.067 0.000 2.092 172 R HA -0.075 4.274 4.340 0.015 0.000 0.231 172 R C 2.387 178.717 176.300 0.050 0.000 1.119 172 R CA 0.948 57.079 56.100 0.053 0.000 0.970 172 R CB -0.277 30.053 30.300 0.051 0.000 0.864 172 R HN 0.294 nan 8.270 nan 0.000 0.440 173 L N 0.474 121.731 121.223 0.055 0.000 2.083 173 L HA -0.172 4.178 4.340 0.015 0.000 0.209 173 L C 2.220 179.106 176.870 0.027 0.000 1.083 173 L CA 1.065 55.929 54.840 0.039 0.000 0.752 173 L CB -0.343 41.734 42.059 0.031 0.000 0.899 173 L HN 0.224 nan 8.230 nan 0.000 0.433 174 L N -1.116 120.124 121.223 0.028 0.000 2.056 174 L HA -0.170 4.179 4.340 0.015 0.000 0.207 174 L C 2.529 179.411 176.870 0.021 0.000 1.078 174 L CA 0.891 55.742 54.840 0.018 0.000 0.749 174 L CB -0.602 41.471 42.059 0.022 0.000 0.901 174 L HN 0.109 nan 8.230 nan 0.000 0.433 175 V N 0.405 120.337 119.914 0.030 0.000 2.407 175 V HA -0.187 3.942 4.120 0.015 0.000 0.248 175 V C 2.698 178.811 176.094 0.032 0.000 1.055 175 V CA 1.860 64.180 62.300 0.032 0.000 1.049 175 V CB -1.282 30.563 31.823 0.037 0.000 0.662 175 V HN 0.562 nan 8.190 nan 0.000 0.455 176 G N 0.556 109.375 108.800 0.032 0.000 2.469 176 G HA2 -0.331 3.638 3.960 0.015 0.000 0.219 176 G HA3 -0.331 3.638 3.960 0.015 0.000 0.219 176 G C 1.891 176.800 174.900 0.016 0.000 1.150 176 G CA 1.575 46.693 45.100 0.029 0.000 0.763 176 G HN 0.657 nan 8.290 nan 0.000 0.561 177 S N 0.229 115.937 115.700 0.013 0.000 2.382 177 S HA -0.149 4.330 4.470 0.015 0.000 0.228 177 S C 2.222 176.819 174.600 -0.005 0.000 1.027 177 S CA 1.661 59.862 58.200 0.002 0.000 0.991 177 S CB -0.413 62.787 63.200 -0.000 0.000 0.823 177 S HN 0.571 nan 8.310 nan 0.000 0.469 178 Q N 0.745 120.549 119.800 0.006 0.000 2.079 178 Q HA 0.079 4.428 4.340 0.015 0.000 0.200 178 Q C 2.252 178.267 176.000 0.024 0.000 0.974 178 Q CA 1.638 57.448 55.803 0.013 0.000 0.840 178 Q CB -0.460 28.291 28.738 0.022 0.000 0.898 178 Q HN 0.614 nan 8.270 nan 0.000 0.430 179 I N 0.736 121.324 120.570 0.030 0.000 2.252 179 I HA -0.256 3.923 4.170 0.015 0.000 0.245 179 I C 2.435 178.514 176.117 -0.063 0.000 1.102 179 I CA 0.897 62.221 61.300 0.039 0.000 1.385 179 I CB -0.405 37.631 38.000 0.060 0.000 1.064 179 I HN 0.155 nan 8.210 nan 0.000 0.414 180 A N 0.811 123.590 122.820 -0.068 0.000 1.908 180 A HA -0.214 4.115 4.320 0.015 0.000 0.218 180 A C 2.531 180.054 177.584 -0.101 0.000 1.181 180 A CA 2.046 54.018 52.037 -0.108 0.000 0.627 180 A CB -0.866 18.098 19.000 -0.060 0.000 0.818 180 A HN 0.441 nan 8.150 nan 0.000 0.445 181 A N -0.337 122.452 122.820 -0.053 0.000 1.930 181 A HA -0.135 4.194 4.320 0.015 0.000 0.217 181 A C 1.894 179.470 177.584 -0.014 0.000 1.175 181 A CA 1.567 53.583 52.037 -0.035 0.000 0.627 181 A CB -0.484 18.502 19.000 -0.024 0.000 0.815 181 A HN 0.641 nan 8.150 nan 0.000 0.443 182 E N -0.547 119.662 120.200 0.015 0.000 2.077 182 E HA -0.180 4.179 4.350 0.015 0.000 0.193 182 E C 2.062 178.705 176.600 0.072 0.000 0.989 182 E CA 1.437 57.902 56.400 0.109 0.000 0.800 182 E CB -0.287 29.560 29.700 0.246 0.000 0.746 182 E HN 0.656 nan 8.360 nan 0.000 0.452 183 M N 0.161 119.608 119.600 -0.256 0.000 2.086 183 M HA -0.171 4.318 4.480 0.015 0.000 0.261 183 M C 2.317 178.525 176.300 -0.153 0.000 1.067 183 M CA 1.541 56.545 55.300 -0.494 0.000 1.116 183 M CB -0.193 31.998 32.600 -0.681 0.000 1.348 183 M HN -0.013 nan 8.290 nan 0.000 0.407 184 R N -0.325 120.116 120.500 -0.098 0.000 2.115 184 R HA -0.152 4.197 4.340 0.015 0.000 0.230 184 R C 2.103 178.435 176.300 0.052 0.000 1.111 184 R CA 1.229 57.312 56.100 -0.027 0.000 0.976 184 R CB -0.255 30.021 30.300 -0.040 0.000 0.870 184 R HN 0.270 nan 8.270 nan 0.000 0.445 185 E N 0.937 121.174 120.200 0.062 0.000 2.106 185 E HA -0.087 4.272 4.350 0.015 0.000 0.192 185 E C 1.742 178.437 176.600 0.158 0.000 0.984 185 E CA 1.449 57.919 56.400 0.117 0.000 0.806 185 E CB -0.080 29.674 29.700 0.089 0.000 0.750 185 E HN 0.286 nan 8.360 nan 0.000 0.458 186 A N 0.334 123.248 122.820 0.157 0.000 1.873 186 A HA -0.157 4.173 4.320 0.015 0.000 0.215 186 A C 2.302 179.964 177.584 0.131 0.000 1.186 186 A CA 1.803 53.943 52.037 0.170 0.000 0.616 186 A CB -0.592 18.582 19.000 0.291 0.000 0.823 186 A HN 0.344 nan 8.150 nan 0.000 0.442 187 M N -2.284 117.384 119.600 0.114 0.000 2.106 187 M HA -0.187 4.302 4.480 0.015 0.000 0.259 187 M C 2.228 178.593 176.300 0.109 0.000 1.068 187 M CA 2.083 57.438 55.300 0.092 0.000 1.100 187 M CB -0.470 32.168 32.600 0.064 0.000 1.351 187 M HN 0.619 nan 8.290 nan 0.000 0.404 188 Y N 1.186 121.507 120.300 0.034 0.000 2.153 188 Y HA -0.175 4.387 4.550 0.021 0.000 0.289 188 Y C 2.191 178.114 175.900 0.038 0.000 1.127 188 Y CA 1.611 59.731 58.100 0.034 0.000 1.131 188 Y CB -0.285 38.189 38.460 0.023 0.000 0.995 188 Y HN 0.231 nan 8.280 nan 0.000 0.505 189 N N 0.047 118.770 118.700 0.037 0.000 2.188 189 N HA -0.152 4.597 4.740 0.015 0.000 0.184 189 N C 1.557 177.027 175.510 -0.067 0.000 1.018 189 N CA 1.704 54.738 53.050 -0.027 0.000 0.858 189 N CB -0.246 38.282 38.487 0.067 0.000 0.989 189 N HN 0.594 nan 8.380 nan 0.000 0.426 190 Q N -0.646 119.139 119.800 -0.024 0.000 2.373 190 Q HA 0.259 4.608 4.340 0.015 0.000 0.210 190 Q C 1.416 177.401 176.000 -0.025 0.000 0.913 190 Q CA 0.351 56.148 55.803 -0.012 0.000 0.911 190 Q CB 0.749 29.504 28.738 0.029 0.000 1.040 190 Q HN 0.271 nan 8.270 nan 0.000 0.521 191 L N -1.866 119.337 121.223 -0.033 0.000 2.749 191 L HA 0.345 4.694 4.340 0.015 0.000 0.242 191 L C 1.016 177.854 176.870 -0.054 0.000 1.103 191 L CA 0.394 55.226 54.840 -0.014 0.000 0.906 191 L CB 0.779 42.862 42.059 0.040 0.000 1.228 191 L HN 0.326 nan 8.230 nan 0.000 0.517 192 G N 1.311 110.003 108.800 -0.180 0.000 2.159 192 G HA2 -0.264 3.705 3.960 0.015 0.000 0.256 192 G HA3 -0.264 3.705 3.960 0.015 0.000 0.256 192 G C 0.038 174.916 174.900 -0.038 0.000 0.977 192 G CA 0.051 44.990 45.100 -0.269 0.000 0.652 192 G HN 0.193 nan 8.290 nan 0.000 0.531 193 L N 0.687 121.959 121.223 0.081 0.000 2.325 193 L HA 0.680 5.029 4.340 0.015 0.000 0.278 193 L C 0.503 177.537 176.870 0.273 0.000 1.023 193 L CA -0.749 54.208 54.840 0.194 0.000 0.811 193 L CB 2.023 44.188 42.059 0.177 0.000 1.249 193 L HN 0.071 nan 8.230 nan 0.000 0.431 194 T N 1.175 115.869 114.554 0.234 0.000 2.895 194 T HA 0.789 5.148 4.350 0.015 0.000 0.283 194 T C -0.001 174.751 174.700 0.086 0.000 1.014 194 T CA -0.441 61.747 62.100 0.146 0.000 1.037 194 T CB 1.797 70.729 68.868 0.107 0.000 1.006 194 T HN 0.836 nan 8.240 nan 0.000 0.468 195 G N 0.248 109.065 108.800 0.028 0.000 2.559 195 G HA2 0.506 4.475 3.960 0.015 0.000 0.291 195 G HA3 0.506 4.475 3.960 0.015 0.000 0.291 195 G C -1.254 173.630 174.900 -0.027 0.000 1.424 195 G CA -0.514 44.584 45.100 -0.004 0.000 0.786 195 G HN 0.890 nan 8.290 nan 0.000 0.485 196 C N -0.146 119.131 119.300 -0.038 0.000 2.365 196 C HA 0.956 5.426 4.460 0.015 0.000 0.349 196 C C 0.774 175.727 174.990 -0.061 0.000 1.191 196 C CA 0.111 59.116 59.018 -0.021 0.000 2.114 196 C CB 0.715 28.466 27.740 0.018 0.000 2.367 196 C HN 1.139 nan 8.230 nan 0.000 0.530 197 A N 0.969 123.775 122.820 -0.023 0.000 2.435 197 A HA 0.901 5.230 4.320 0.015 0.000 0.304 197 A C -0.412 177.195 177.584 0.038 0.000 1.064 197 A CA -0.247 51.769 52.037 -0.035 0.000 0.727 197 A CB 1.257 20.221 19.000 -0.059 0.000 1.284 197 A HN 1.252 nan 8.150 nan 0.000 0.415 198 G N -0.023 108.815 108.800 0.064 0.000 2.590 198 G HA2 0.568 4.537 3.960 0.015 0.000 0.310 198 G HA3 0.568 4.537 3.960 0.015 0.000 0.310 198 G C -1.356 173.592 174.900 0.081 0.000 1.347 198 G CA -0.413 44.742 45.100 0.090 0.000 0.963 198 G HN 0.874 nan 8.290 nan 0.000 0.494 199 V N 1.191 121.144 119.914 0.066 0.000 2.417 199 V HA 0.857 4.986 4.120 0.015 0.000 0.291 199 V C 0.379 176.504 176.094 0.051 0.000 1.024 199 V CA -0.027 62.308 62.300 0.058 0.000 0.861 199 V CB 0.744 32.592 31.823 0.040 0.000 0.985 199 V HN 1.252 nan 8.190 nan 0.000 0.436 200 A N 3.289 126.142 122.820 0.054 0.000 2.529 200 A HA 0.704 5.033 4.320 0.015 0.000 0.296 200 A C 0.700 178.308 177.584 0.039 0.000 1.205 200 A CA 0.243 52.302 52.037 0.037 0.000 0.671 200 A CB 1.099 20.110 19.000 0.019 0.000 1.301 200 A HN 0.989 nan 8.150 nan 0.000 0.450 201 S N -0.411 115.306 115.700 0.028 0.000 2.527 201 S HA 0.127 4.606 4.470 0.015 0.000 0.222 201 S C 0.417 175.025 174.600 0.013 0.000 0.985 201 S CA 1.037 59.252 58.200 0.026 0.000 0.921 201 S CB -0.784 62.432 63.200 0.027 0.000 0.772 201 S HN 1.381 nan 8.310 nan 0.000 0.529 202 N N -0.381 118.323 118.700 0.007 0.000 2.934 202 N HA 0.381 5.130 4.740 0.015 0.000 0.253 202 N C -0.169 175.330 175.510 -0.019 0.000 1.466 202 N CA -1.072 51.967 53.050 -0.018 0.000 0.858 202 N CB 0.690 39.158 38.487 -0.032 0.000 1.459 202 N HN -0.170 nan 8.380 nan 0.000 0.532 203 K N -0.312 120.027 120.400 -0.102 0.000 2.026 203 K HA 0.024 4.353 4.320 0.015 0.000 0.208 203 K C 1.530 178.105 176.600 -0.040 0.000 1.048 203 K CA 1.125 57.302 56.287 -0.183 0.000 0.929 203 K CB -0.386 31.730 32.500 -0.640 0.000 0.713 203 K HN 0.463 nan 8.250 nan 0.000 0.439 204 L N 1.161 122.336 121.223 -0.079 0.000 1.990 204 L HA -0.269 4.080 4.340 0.015 0.000 0.213 204 L C 2.137 178.982 176.870 -0.042 0.000 1.072 204 L CA 1.678 56.486 54.840 -0.054 0.000 0.755 204 L CB -0.236 41.789 42.059 -0.057 0.000 0.889 204 L HN 0.274 nan 8.230 nan 0.000 0.432 205 L N -0.880 120.322 121.223 -0.036 0.000 2.109 205 L HA -0.130 4.219 4.340 0.015 0.000 0.207 205 L C 2.822 179.675 176.870 -0.029 0.000 1.086 205 L CA 0.890 55.700 54.840 -0.050 0.000 0.760 205 L CB -0.745 41.290 42.059 -0.041 0.000 0.910 205 L HN 0.307 nan 8.230 nan 0.000 0.437 206 A N 0.483 123.323 122.820 0.034 0.000 1.902 206 A HA -0.267 4.062 4.320 0.015 0.000 0.217 206 A C 2.405 180.020 177.584 0.051 0.000 1.181 206 A CA 2.111 54.204 52.037 0.093 0.000 0.623 206 A CB -0.424 18.701 19.000 0.210 0.000 0.818 206 A HN 0.333 nan 8.150 nan 0.000 0.443 207 K N -0.348 120.017 120.400 -0.057 0.000 2.057 207 K HA 0.003 4.333 4.320 0.015 0.000 0.206 207 K C 1.857 178.347 176.600 -0.184 0.000 1.050 207 K CA 1.147 57.182 56.287 -0.419 0.000 0.935 207 K CB -0.291 31.933 32.500 -0.459 0.000 0.715 207 K HN 0.465 nan 8.250 nan 0.000 0.439 208 L N 0.383 121.538 121.223 -0.113 0.000 2.083 208 L HA -0.132 4.218 4.340 0.015 0.000 0.209 208 L C 2.361 179.176 176.870 -0.091 0.000 1.083 208 L CA 0.659 55.439 54.840 -0.100 0.000 0.752 208 L CB -0.254 41.734 42.059 -0.118 0.000 0.899 208 L HN 0.103 nan 8.230 nan 0.000 0.433 209 V N -0.589 119.276 119.914 -0.081 0.000 2.951 209 V HA -0.147 3.982 4.120 0.015 0.000 0.255 209 V C 2.551 178.670 176.094 0.042 0.000 1.088 209 V CA 1.456 63.717 62.300 -0.066 0.000 1.109 209 V CB 0.208 31.978 31.823 -0.089 0.000 0.724 209 V HN 0.624 nan 8.190 nan 0.000 0.471 210 S N 0.156 115.901 115.700 0.075 0.000 2.419 210 S HA -0.058 4.421 4.470 0.015 0.000 0.233 210 S C 1.854 176.513 174.600 0.099 0.000 1.016 210 S CA 1.289 59.563 58.200 0.124 0.000 0.974 210 S CB -0.589 62.758 63.200 0.246 0.000 0.786 210 S HN 0.611 nan 8.310 nan 0.000 0.492 211 G N 0.468 109.308 108.800 0.065 0.000 2.985 211 G HA2 0.225 4.194 3.960 0.015 0.000 0.209 211 G HA3 0.225 4.194 3.960 0.015 0.000 0.209 211 G C 1.117 176.016 174.900 -0.002 0.000 1.165 211 G CA 0.320 45.444 45.100 0.040 0.000 0.776 211 G HN 0.439 nan 8.290 nan 0.000 0.541 212 V N -0.013 119.898 119.914 -0.006 0.000 2.358 212 V HA 0.099 4.228 4.120 0.015 0.000 0.246 212 V C 0.563 176.410 176.094 -0.412 0.000 1.047 212 V CA 1.031 63.237 62.300 -0.156 0.000 1.035 212 V CB -0.454 31.351 31.823 -0.030 0.000 0.658 212 V HN 0.260 nan 8.190 nan 0.000 0.452 213 F N 0.789 120.703 119.950 -0.060 0.000 2.403 213 F HA 0.571 5.100 4.527 0.004 0.000 0.355 213 F C 0.209 175.975 175.800 -0.058 0.000 1.119 213 F CA -0.616 57.305 58.000 -0.131 0.000 1.007 213 F CB 1.142 39.921 39.000 -0.368 0.000 1.194 213 F HN -0.112 nan 8.300 nan 0.000 0.443 214 K N 3.787 124.233 120.400 0.077 0.000 2.443 214 K HA 0.585 4.914 4.320 0.015 0.000 0.251 214 K C -2.771 173.771 176.600 -0.097 0.000 0.972 214 K CA -1.900 54.391 56.287 0.007 0.000 0.833 214 K CB 2.414 34.945 32.500 0.052 0.000 1.317 214 K HN 0.251 nan 8.250 nan 0.000 0.441 215 P HA 0.138 nan 4.420 nan 0.000 0.278 215 P C -0.416 176.788 177.300 -0.161 0.000 1.266 215 P CA -0.375 62.510 63.100 -0.358 0.000 0.807 215 P CB 0.300 31.494 31.700 -0.844 0.000 1.094 216 N N -0.751 117.889 118.700 -0.099 0.000 2.738 216 N HA -0.184 4.565 4.740 0.015 0.000 0.249 216 N C -0.995 174.495 175.510 -0.033 0.000 1.047 216 N CA 1.036 54.046 53.050 -0.068 0.000 0.707 216 N CB -1.177 37.248 38.487 -0.103 0.000 0.937 216 N HN 0.530 nan 8.380 nan 0.000 0.545 217 Q N -0.653 119.159 119.800 0.019 0.000 2.553 217 Q HA 0.524 4.873 4.340 0.015 0.000 0.293 217 Q C -0.904 175.159 176.000 0.105 0.000 1.038 217 Q CA -0.934 54.920 55.803 0.084 0.000 0.777 217 Q CB 1.883 30.738 28.738 0.196 0.000 1.487 217 Q HN 0.458 nan 8.270 nan 0.000 0.426 218 Q N -0.599 119.285 119.800 0.139 0.000 2.456 218 Q HA 0.797 5.146 4.340 0.015 0.000 0.283 218 Q C -1.323 174.798 176.000 0.201 0.000 1.084 218 Q CA -0.865 55.013 55.803 0.124 0.000 0.801 218 Q CB 2.620 31.382 28.738 0.040 0.000 1.434 218 Q HN 0.499 nan 8.270 nan 0.000 0.419 219 T N -0.309 114.358 114.554 0.189 0.000 2.912 219 T HA 0.535 4.895 4.350 0.015 0.000 0.299 219 T C -1.774 173.018 174.700 0.153 0.000 1.052 219 T CA -0.609 61.631 62.100 0.233 0.000 0.996 219 T CB 1.994 71.112 68.868 0.418 0.000 1.070 219 T HN 0.582 nan 8.240 nan 0.000 0.465 220 V N 6.181 126.179 119.914 0.141 0.000 2.555 220 V HA 0.668 4.797 4.120 0.015 0.000 0.302 220 V C -0.795 175.365 176.094 0.109 0.000 1.038 220 V CA -1.064 61.289 62.300 0.089 0.000 0.887 220 V CB 1.489 33.337 31.823 0.042 0.000 0.991 220 V HN 0.942 nan 8.190 nan 0.000 0.434 221 L N 7.600 128.864 121.223 0.068 0.000 2.265 221 L HA 0.529 4.878 4.340 0.015 0.000 0.289 221 L C -0.644 176.243 176.870 0.028 0.000 1.033 221 L CA -0.451 54.426 54.840 0.063 0.000 0.814 221 L CB 1.311 43.359 42.059 -0.017 0.000 1.203 221 L HN 0.648 nan 8.230 nan 0.000 0.423 222 L N 6.654 127.883 121.223 0.010 0.000 2.375 222 L HA 0.297 4.646 4.340 0.015 0.000 0.271 222 L C -1.397 175.505 176.870 0.054 0.000 1.107 222 L CA -1.665 53.142 54.840 -0.055 0.000 0.806 222 L CB 0.466 42.348 42.059 -0.294 0.000 1.146 222 L HN 0.429 nan 8.230 nan 0.000 0.447 223 P HA -0.174 nan 4.420 nan 0.000 0.216 223 P C 0.868 178.238 177.300 0.118 0.000 1.150 223 P CA 1.147 64.314 63.100 0.111 0.000 0.843 223 P CB 0.272 32.050 31.700 0.129 0.000 0.787 224 E N -1.136 119.150 120.200 0.142 0.000 2.268 224 E HA -0.048 4.311 4.350 0.015 0.000 0.195 224 E C 1.509 178.191 176.600 0.137 0.000 0.995 224 E CA 0.954 57.432 56.400 0.131 0.000 0.836 224 E CB -0.694 29.087 29.700 0.135 0.000 0.763 224 E HN 0.140 nan 8.360 nan 0.000 0.491 225 S N -0.704 115.088 115.700 0.152 0.000 2.577 225 S HA 0.016 4.495 4.470 0.015 0.000 0.219 225 S C 1.502 176.246 174.600 0.240 0.000 0.962 225 S CA -0.232 58.103 58.200 0.226 0.000 0.921 225 S CB -0.128 63.248 63.200 0.293 0.000 0.789 225 S HN 0.490 nan 8.310 nan 0.000 0.497 226 C N 1.913 121.298 119.300 0.142 0.000 2.432 226 C HA -0.090 4.379 4.460 0.015 0.000 0.277 226 C C 2.630 177.670 174.990 0.084 0.000 1.249 226 C CA 1.001 60.063 59.018 0.073 0.000 1.725 226 C CB -0.859 26.914 27.740 0.055 0.000 2.028 226 C HN 0.455 nan 8.230 nan 0.000 0.477 227 Q N -0.226 119.659 119.800 0.141 0.000 2.124 227 Q HA -0.201 4.148 4.340 0.015 0.000 0.202 227 Q C 1.861 177.996 176.000 0.226 0.000 0.977 227 Q CA 2.235 58.140 55.803 0.169 0.000 0.850 227 Q CB -0.920 27.958 28.738 0.233 0.000 0.901 227 Q HN 0.931 nan 8.270 nan 0.000 0.429 228 H N 0.282 119.463 119.070 0.186 0.000 2.319 228 H HA -0.144 4.421 4.556 0.016 0.000 0.299 228 H C 1.988 177.450 175.328 0.224 0.000 1.092 228 H CA 1.558 57.742 56.048 0.228 0.000 1.302 228 H CB -0.038 29.877 29.762 0.255 0.000 1.373 228 H HN 0.149 nan 8.280 nan 0.000 0.497 229 L N 1.109 122.503 121.223 0.286 0.000 1.989 229 L HA -0.147 4.202 4.340 0.015 0.000 0.211 229 L C 2.381 179.202 176.870 -0.083 0.000 1.071 229 L CA 2.037 56.847 54.840 -0.050 0.000 0.749 229 L CB -0.807 40.980 42.059 -0.453 0.000 0.890 229 L HN 0.642 nan 8.230 nan 0.000 0.431 230 I N -3.299 117.194 120.570 -0.128 0.000 2.315 230 I HA -0.247 3.933 4.170 0.015 0.000 0.248 230 I C 1.959 177.902 176.117 -0.290 0.000 1.117 230 I CA 1.670 62.833 61.300 -0.229 0.000 1.404 230 I CB -0.871 36.953 38.000 -0.294 0.000 1.071 230 I HN 0.288 nan 8.210 nan 0.000 0.419 231 H N 1.055 120.077 119.070 -0.080 0.000 2.551 231 H HA 0.031 4.595 4.556 0.014 0.000 0.266 231 H C 2.448 177.694 175.328 -0.137 0.000 0.977 231 H CA 0.874 56.855 56.048 -0.111 0.000 1.163 231 H CB 0.161 29.857 29.762 -0.110 0.000 1.381 231 H HN 0.547 nan 8.280 nan 0.000 0.581 232 S N 0.464 116.136 115.700 -0.047 0.000 2.481 232 S HA -0.020 4.459 4.470 0.015 0.000 0.231 232 S C 0.755 175.324 174.600 -0.053 0.000 0.996 232 S CA -0.011 58.156 58.200 -0.055 0.000 0.942 232 S CB -0.315 62.902 63.200 0.028 0.000 0.768 232 S HN 0.206 nan 8.310 nan 0.000 0.520 233 L N 2.168 123.351 121.223 -0.066 0.000 2.426 233 L HA 0.310 4.660 4.340 0.015 0.000 0.271 233 L C 0.998 177.802 176.870 -0.111 0.000 1.169 233 L CA -0.520 54.274 54.840 -0.076 0.000 0.836 233 L CB 0.172 42.184 42.059 -0.078 0.000 1.112 233 L HN 0.175 nan 8.230 nan 0.000 0.465 234 N N -0.135 118.460 118.700 -0.174 0.000 2.294 234 N HA 0.072 4.821 4.740 0.015 0.000 0.186 234 N C -0.281 174.904 175.510 -0.541 0.000 1.107 234 N CA 0.288 53.127 53.050 -0.351 0.000 0.884 234 N CB 0.506 38.722 38.487 -0.453 0.000 1.030 234 N HN 0.616 nan 8.380 nan 0.000 0.482 235 H N -0.577 118.471 119.070 -0.037 0.000 2.600 235 H HA 0.253 4.818 4.556 0.015 0.000 0.357 235 H C 0.716 176.014 175.328 -0.050 0.000 1.106 235 H CA -0.647 55.377 56.048 -0.039 0.000 1.193 235 H CB 2.528 32.272 29.762 -0.031 0.000 1.594 235 H HN -0.205 nan 8.280 nan 0.000 0.526 236 I N 2.108 122.710 120.570 0.054 0.000 2.361 236 I HA -0.184 3.995 4.170 0.015 0.000 0.251 236 I C 2.139 178.254 176.117 -0.004 0.000 1.133 236 I CA 1.501 62.795 61.300 -0.010 0.000 1.413 236 I CB -0.124 37.851 38.000 -0.042 0.000 1.073 236 I HN 0.555 nan 8.210 nan 0.000 0.424 237 K N 0.409 120.824 120.400 0.024 0.000 2.362 237 K HA -0.168 4.161 4.320 0.015 0.000 0.200 237 K C 1.647 178.254 176.600 0.011 0.000 1.046 237 K CA 1.096 57.388 56.287 0.009 0.000 0.952 237 K CB -0.009 32.495 32.500 0.006 0.000 0.753 237 K HN 0.448 nan 8.250 nan 0.000 0.466 238 E N 0.309 120.526 120.200 0.028 0.000 2.418 238 E HA -0.057 4.302 4.350 0.015 0.000 0.197 238 E C -0.047 176.541 176.600 -0.019 0.000 1.026 238 E CA 0.227 56.633 56.400 0.011 0.000 0.862 238 E CB 0.062 29.777 29.700 0.026 0.000 0.799 238 E HN 0.308 nan 8.360 nan 0.000 0.518 239 I N 3.172 123.725 120.570 -0.029 0.000 2.505 239 I HA 0.043 4.222 4.170 0.015 0.000 0.287 239 I C -2.196 173.902 176.117 -0.031 0.000 1.104 239 I CA -2.151 59.123 61.300 -0.042 0.000 1.387 239 I CB 0.364 38.331 38.000 -0.055 0.000 1.404 239 I HN -0.274 nan 8.210 nan 0.000 0.528 240 P HA 0.050 nan 4.420 nan 0.000 0.261 240 P C 0.804 178.092 177.300 -0.019 0.000 1.203 240 P CA 0.632 63.721 63.100 -0.019 0.000 0.767 240 P CB 0.525 32.215 31.700 -0.017 0.000 0.785 241 G N 3.171 111.964 108.800 -0.012 0.000 2.284 241 G HA2 -0.165 3.804 3.960 0.015 0.000 0.201 241 G HA3 -0.165 3.804 3.960 0.015 0.000 0.201 241 G C -0.031 174.859 174.900 -0.016 0.000 0.998 241 G CA -0.516 44.576 45.100 -0.013 0.000 0.651 241 G HN 0.475 nan 8.290 nan 0.000 0.489 242 I N 2.426 122.984 120.570 -0.020 0.000 2.330 242 I HA 0.573 4.752 4.170 0.015 0.000 0.286 242 I C 1.055 177.164 176.117 -0.013 0.000 1.025 242 I CA -0.213 61.072 61.300 -0.025 0.000 1.197 242 I CB 1.155 39.133 38.000 -0.036 0.000 1.358 242 I HN 0.179 nan 8.210 nan 0.000 0.467 243 G N 3.478 112.274 108.800 -0.007 0.000 2.795 243 G HA2 0.133 4.102 3.960 0.015 0.000 0.267 243 G HA3 0.133 4.102 3.960 0.015 0.000 0.267 243 G C 0.305 175.224 174.900 0.031 0.000 1.362 243 G CA -0.335 44.779 45.100 0.024 0.000 1.048 243 G HN 0.620 nan 8.290 nan 0.000 0.547 244 Y N 0.490 120.767 120.300 -0.039 0.000 2.114 244 Y HA -0.200 4.358 4.550 0.015 0.000 0.282 244 Y C 2.700 178.576 175.900 -0.040 0.000 1.165 244 Y CA 2.547 60.621 58.100 -0.043 0.000 1.148 244 Y CB 0.200 38.634 38.460 -0.043 0.000 0.972 244 Y HN 0.266 nan 8.280 nan 0.000 0.504 245 K N -0.642 119.598 120.400 -0.266 0.000 2.062 245 K HA -0.064 4.265 4.320 0.015 0.000 0.205 245 K C 2.013 178.461 176.600 -0.253 0.000 1.051 245 K CA 1.680 57.750 56.287 -0.362 0.000 0.941 245 K CB -0.873 31.546 32.500 -0.134 0.000 0.719 245 K HN 0.338 nan 8.250 nan 0.000 0.440 246 T N 1.966 116.431 114.554 -0.149 0.000 2.746 246 T HA -0.115 4.244 4.350 0.015 0.000 0.267 246 T C 2.130 176.748 174.700 -0.138 0.000 1.039 246 T CA 1.533 63.563 62.100 -0.117 0.000 1.142 246 T CB -0.292 68.532 68.868 -0.073 0.000 0.866 246 T HN 0.333 nan 8.240 nan 0.000 0.444 247 A N 1.854 124.590 122.820 -0.140 0.000 1.883 247 A HA -0.154 4.175 4.320 0.015 0.000 0.217 247 A C 2.301 179.788 177.584 -0.162 0.000 1.186 247 A CA 1.641 53.602 52.037 -0.127 0.000 0.624 247 A CB -0.510 18.438 19.000 -0.086 0.000 0.822 247 A HN 0.400 nan 8.150 nan 0.000 0.444 248 K N -0.872 119.378 120.400 -0.250 0.000 2.063 248 K HA -0.198 4.131 4.320 0.015 0.000 0.208 248 K C 2.237 178.726 176.600 -0.184 0.000 1.048 248 K CA 1.430 57.568 56.287 -0.249 0.000 0.928 248 K CB -0.594 31.660 32.500 -0.411 0.000 0.713 248 K HN 0.643 nan 8.250 nan 0.000 0.442 249 C N 1.316 120.507 119.300 -0.182 0.000 2.413 249 C HA -0.116 4.353 4.460 0.015 0.000 0.276 249 C C 2.526 177.429 174.990 -0.146 0.000 1.236 249 C CA 0.783 59.717 59.018 -0.140 0.000 1.735 249 C CB -1.001 26.666 27.740 -0.122 0.000 2.031 249 C HN 0.401 nan 8.230 nan 0.000 0.474 250 L N 0.695 121.821 121.223 -0.162 0.000 2.042 250 L HA -0.163 4.186 4.340 0.015 0.000 0.210 250 L C 2.686 179.444 176.870 -0.187 0.000 1.076 250 L CA 2.327 57.045 54.840 -0.202 0.000 0.749 250 L CB -0.929 41.020 42.059 -0.184 0.000 0.893 250 L HN 0.527 nan 8.230 nan 0.000 0.432 251 E N 0.570 120.688 120.200 -0.137 0.000 2.085 251 E HA -0.265 4.095 4.350 0.015 0.000 0.194 251 E C 2.168 178.713 176.600 -0.092 0.000 0.994 251 E CA 1.426 57.765 56.400 -0.102 0.000 0.801 251 E CB -0.071 29.581 29.700 -0.079 0.000 0.743 251 E HN 0.425 nan 8.360 nan 0.000 0.453 252 A N 0.573 123.336 122.820 -0.095 0.000 2.019 252 A HA -0.102 4.228 4.320 0.015 0.000 0.219 252 A C 2.069 179.612 177.584 -0.068 0.000 1.164 252 A CA 1.076 53.071 52.037 -0.071 0.000 0.644 252 A CB -0.430 18.529 19.000 -0.067 0.000 0.805 252 A HN 0.374 nan 8.150 nan 0.000 0.449 253 L N -1.430 119.721 121.223 -0.119 0.000 2.591 253 L HA 0.198 4.547 4.340 0.015 0.000 0.228 253 L C 1.570 178.363 176.870 -0.128 0.000 1.133 253 L CA 0.498 55.256 54.840 -0.137 0.000 0.880 253 L CB -0.122 41.748 42.059 -0.316 0.000 1.033 253 L HN 0.580 nan 8.230 nan 0.000 0.450 254 G N 1.083 109.820 108.800 -0.106 0.000 2.136 254 G HA2 -0.275 3.694 3.960 0.015 0.000 0.242 254 G HA3 -0.275 3.694 3.960 0.015 0.000 0.242 254 G C 0.106 174.948 174.900 -0.096 0.000 0.989 254 G CA -0.260 44.804 45.100 -0.060 0.000 0.682 254 G HN 0.298 nan 8.290 nan 0.000 0.522 255 I N 0.627 121.080 120.570 -0.194 0.000 2.297 255 I HA 0.340 4.519 4.170 0.015 0.000 0.291 255 I C 0.919 176.963 176.117 -0.122 0.000 1.033 255 I CA -0.451 60.729 61.300 -0.200 0.000 1.253 255 I CB 1.096 38.880 38.000 -0.360 0.000 1.396 255 I HN 0.164 nan 8.210 nan 0.000 0.476 256 N N 2.131 120.787 118.700 -0.074 0.000 2.474 256 N HA 0.031 4.780 4.740 0.015 0.000 0.224 256 N C 0.156 175.639 175.510 -0.044 0.000 1.092 256 N CA -0.102 52.920 53.050 -0.046 0.000 0.844 256 N CB 0.548 39.018 38.487 -0.028 0.000 1.381 256 N HN 0.605 nan 8.380 nan 0.000 0.458 257 S N -0.530 115.142 115.700 -0.047 0.000 2.722 257 S HA 0.359 4.838 4.470 0.015 0.000 0.292 257 S C 1.282 175.851 174.600 -0.052 0.000 1.135 257 S CA -0.829 57.343 58.200 -0.046 0.000 1.003 257 S CB 1.655 64.837 63.200 -0.030 0.000 1.067 257 S HN -0.147 nan 8.310 nan 0.000 0.546 258 V N 1.313 121.196 119.914 -0.053 0.000 2.332 258 V HA -0.177 3.953 4.120 0.015 0.000 0.248 258 V C 2.901 178.948 176.094 -0.079 0.000 1.055 258 V CA 2.364 64.605 62.300 -0.099 0.000 1.038 258 V CB -1.024 30.695 31.823 -0.173 0.000 0.651 258 V HN 0.936 nan 8.190 nan 0.000 0.450 259 R N -0.176 120.349 120.500 0.043 0.000 2.096 259 R HA -0.178 4.171 4.340 0.015 0.000 0.235 259 R C 2.077 178.373 176.300 -0.007 0.000 1.127 259 R CA 1.861 57.988 56.100 0.046 0.000 0.968 259 R CB -0.329 29.992 30.300 0.035 0.000 0.861 259 R HN 0.538 nan 8.270 nan 0.000 0.440 260 D N 0.681 121.079 120.400 -0.004 0.000 2.116 260 D HA -0.210 4.439 4.640 0.015 0.000 0.193 260 D C 1.801 178.121 176.300 0.033 0.000 0.998 260 D CA 1.043 55.056 54.000 0.022 0.000 0.836 260 D CB -0.271 40.522 40.800 -0.012 0.000 0.951 260 D HN 0.173 nan 8.370 nan 0.000 0.449 261 L N 0.998 122.195 121.223 -0.042 0.000 2.056 261 L HA -0.157 4.192 4.340 0.015 0.000 0.207 261 L C 2.180 179.026 176.870 -0.041 0.000 1.078 261 L CA 1.626 56.437 54.840 -0.048 0.000 0.749 261 L CB -0.660 41.339 42.059 -0.100 0.000 0.901 261 L HN 0.002 nan 8.230 nan 0.000 0.433 262 Q N -0.949 118.736 119.800 -0.191 0.000 2.077 262 Q HA -0.222 4.127 4.340 0.015 0.000 0.206 262 Q C 1.763 177.775 176.000 0.021 0.000 0.989 262 Q CA 2.519 58.091 55.803 -0.386 0.000 0.853 262 Q CB -0.389 27.940 28.738 -0.682 0.000 0.907 262 Q HN 0.741 nan 8.270 nan 0.000 0.418 263 T N -2.694 111.902 114.554 0.069 0.000 3.107 263 T HA 0.086 4.445 4.350 0.015 0.000 0.249 263 T C 0.275 175.064 174.700 0.148 0.000 1.096 263 T CA -0.402 61.773 62.100 0.124 0.000 1.012 263 T CB -0.108 68.812 68.868 0.087 0.000 0.977 263 T HN 0.026 nan 8.240 nan 0.000 0.527 264 F N 3.454 123.415 119.950 0.018 0.000 2.471 264 F HA 0.426 4.962 4.527 0.015 0.000 0.353 264 F C 0.922 176.739 175.800 0.029 0.000 1.113 264 F CA -0.938 57.071 58.000 0.015 0.000 1.262 264 F CB 0.905 39.906 39.000 0.001 0.000 1.146 264 F HN 0.108 nan 8.300 nan 0.000 0.578 265 S N 7.119 122.490 115.700 -0.548 0.000 2.629 265 S HA 0.057 4.536 4.470 0.015 0.000 0.302 265 S C -1.614 172.934 174.600 -0.086 0.000 1.244 265 S CA -0.980 57.029 58.200 -0.319 0.000 1.098 265 S CB 0.452 63.390 63.200 -0.436 0.000 0.858 265 S HN 0.497 nan 8.310 nan 0.000 0.502 266 P HA -0.094 nan 4.420 nan 0.000 0.216 266 P C 1.305 178.632 177.300 0.045 0.000 1.150 266 P CA 0.990 64.127 63.100 0.062 0.000 0.837 266 P CB 0.132 31.859 31.700 0.046 0.000 0.786 267 K N -0.310 120.090 120.400 0.001 0.000 2.026 267 K HA -0.041 4.288 4.320 0.015 0.000 0.208 267 K C 2.133 178.745 176.600 0.020 0.000 1.048 267 K CA 1.242 57.530 56.287 0.001 0.000 0.929 267 K CB -1.262 31.225 32.500 -0.022 0.000 0.713 267 K HN 0.254 nan 8.250 nan 0.000 0.439 268 I N 0.539 121.111 120.570 0.003 0.000 2.315 268 I HA -0.237 3.942 4.170 0.015 0.000 0.248 268 I C 2.247 178.481 176.117 0.195 0.000 1.117 268 I CA 0.485 61.828 61.300 0.071 0.000 1.404 268 I CB -0.204 37.800 38.000 0.007 0.000 1.071 268 I HN -0.013 nan 8.210 nan 0.000 0.419 269 L N 0.921 122.298 121.223 0.257 0.000 2.027 269 L HA -0.199 4.150 4.340 0.015 0.000 0.206 269 L C 2.434 179.369 176.870 0.109 0.000 1.074 269 L CA 1.897 56.876 54.840 0.230 0.000 0.745 269 L CB -0.485 41.731 42.059 0.262 0.000 0.898 269 L HN 0.173 nan 8.230 nan 0.000 0.433 270 E N -0.714 119.535 120.200 0.083 0.000 2.058 270 E HA -0.268 4.091 4.350 0.015 0.000 0.194 270 E C 2.172 178.796 176.600 0.040 0.000 0.997 270 E CA 1.448 57.878 56.400 0.049 0.000 0.801 270 E CB -0.144 29.578 29.700 0.036 0.000 0.746 270 E HN 0.429 nan 8.360 nan 0.000 0.450 271 K N 0.462 120.888 120.400 0.044 0.000 2.103 271 K HA -0.215 4.114 4.320 0.015 0.000 0.207 271 K C 2.164 178.784 176.600 0.033 0.000 1.048 271 K CA 1.348 57.656 56.287 0.034 0.000 0.930 271 K CB -0.047 32.473 32.500 0.034 0.000 0.716 271 K HN -0.014 nan 8.250 nan 0.000 0.444 272 E N 0.473 120.700 120.200 0.046 0.000 2.158 272 E HA -0.024 4.335 4.350 0.015 0.000 0.191 272 E C 1.362 177.968 176.600 0.010 0.000 0.982 272 E CA 0.874 57.292 56.400 0.030 0.000 0.823 272 E CB 0.299 30.024 29.700 0.041 0.000 0.766 272 E HN 0.179 nan 8.360 nan 0.000 0.468 273 L N -1.448 119.783 121.223 0.013 0.000 2.920 273 L HA 0.422 4.772 4.340 0.015 0.000 0.257 273 L C 0.440 177.312 176.870 0.004 0.000 1.150 273 L CA -0.037 54.803 54.840 -0.001 0.000 0.959 273 L CB 1.113 43.167 42.059 -0.008 0.000 1.321 273 L HN 0.214 nan 8.230 nan 0.000 0.555 274 G N 0.404 109.211 108.800 0.012 0.000 2.719 274 G HA2 -0.191 3.778 3.960 0.015 0.000 0.686 274 G HA3 -0.191 3.778 3.960 0.015 0.000 0.686 274 G C 0.419 175.328 174.900 0.014 0.000 1.201 274 G CA -0.379 44.727 45.100 0.011 0.000 0.768 274 G HN -0.135 nan 8.290 nan 0.000 0.629 275 I N 1.284 121.862 120.570 0.014 0.000 2.113 275 I HA -0.226 3.953 4.170 0.015 0.000 0.242 275 I C 2.732 178.857 176.117 0.013 0.000 1.057 275 I CA 3.183 64.491 61.300 0.014 0.000 1.314 275 I CB -0.897 37.109 38.000 0.010 0.000 1.022 275 I HN 0.871 nan 8.210 nan 0.000 0.408 276 S N -0.552 115.153 115.700 0.008 0.000 2.355 276 S HA -0.093 4.386 4.470 0.015 0.000 0.222 276 S C 2.086 176.690 174.600 0.006 0.000 1.031 276 S CA 1.586 59.790 58.200 0.006 0.000 0.993 276 S CB -0.292 62.909 63.200 0.003 0.000 0.859 276 S HN 0.299 nan 8.310 nan 0.000 0.453 277 V N 2.213 122.129 119.914 0.004 0.000 2.307 277 V HA -0.054 4.075 4.120 0.015 0.000 0.245 277 V C 2.927 179.025 176.094 0.007 0.000 1.045 277 V CA 1.683 63.983 62.300 0.000 0.000 1.024 277 V CB -1.377 30.442 31.823 -0.006 0.000 0.651 277 V HN 0.607 nan 8.190 nan 0.000 0.449 278 A N -0.660 122.170 122.820 0.016 0.000 1.865 278 A HA -0.340 3.989 4.320 0.015 0.000 0.217 278 A C 2.235 179.844 177.584 0.042 0.000 1.191 278 A CA 2.381 54.438 52.037 0.033 0.000 0.623 278 A CB -0.625 18.403 19.000 0.046 0.000 0.826 278 A HN 0.582 nan 8.150 nan 0.000 0.444 279 Q N -0.889 118.933 119.800 0.036 0.000 2.119 279 Q HA -0.162 4.187 4.340 0.015 0.000 0.201 279 Q C 2.337 178.359 176.000 0.036 0.000 0.972 279 Q CA 1.579 57.405 55.803 0.038 0.000 0.847 279 Q CB -0.105 28.648 28.738 0.025 0.000 0.903 279 Q HN 0.670 nan 8.270 nan 0.000 0.433 280 R N 0.494 121.007 120.500 0.021 0.000 2.062 280 R HA -0.126 4.224 4.340 0.015 0.000 0.231 280 R C 2.428 178.738 176.300 0.018 0.000 1.136 280 R CA 1.656 57.765 56.100 0.014 0.000 0.948 280 R CB -0.464 29.837 30.300 0.001 0.000 0.845 280 R HN 0.525 nan 8.270 nan 0.000 0.430 281 I N -1.244 119.333 120.570 0.012 0.000 2.394 281 I HA -0.178 4.001 4.170 0.015 0.000 0.251 281 I C 2.338 178.464 176.117 0.016 0.000 1.136 281 I CA 1.394 62.695 61.300 0.001 0.000 1.425 281 I CB -0.453 37.537 38.000 -0.017 0.000 1.079 281 I HN 0.261 nan 8.210 nan 0.000 0.425 282 Q N 1.561 121.392 119.800 0.051 0.000 2.079 282 Q HA -0.214 4.135 4.340 0.015 0.000 0.200 282 Q C 2.308 178.422 176.000 0.191 0.000 0.974 282 Q CA 1.630 57.493 55.803 0.101 0.000 0.840 282 Q CB 0.010 28.834 28.738 0.144 0.000 0.898 282 Q HN 0.514 nan 8.270 nan 0.000 0.430 283 K N 0.061 120.556 120.400 0.159 0.000 2.009 283 K HA -0.164 4.165 4.320 0.015 0.000 0.210 283 K C 2.036 178.721 176.600 0.141 0.000 1.049 283 K CA 1.463 57.850 56.287 0.168 0.000 0.929 283 K CB -0.172 32.372 32.500 0.073 0.000 0.714 283 K HN 0.239 nan 8.250 nan 0.000 0.440 284 L N 0.851 122.109 121.223 0.058 0.000 2.081 284 L HA -0.235 4.114 4.340 0.015 0.000 0.212 284 L C 2.494 179.350 176.870 -0.023 0.000 1.080 284 L CA 1.616 56.462 54.840 0.009 0.000 0.754 284 L CB -0.669 41.379 42.059 -0.018 0.000 0.893 284 L HN 0.342 nan 8.230 nan 0.000 0.433 285 S N -0.710 114.959 115.700 -0.052 0.000 2.447 285 S HA -0.125 4.355 4.470 0.015 0.000 0.233 285 S C 1.521 175.934 174.600 -0.313 0.000 1.006 285 S CA 0.800 58.881 58.200 -0.198 0.000 0.957 285 S CB -0.599 62.448 63.200 -0.255 0.000 0.773 285 S HN 0.378 nan 8.310 nan 0.000 0.507 286 F N 1.908 121.827 119.950 -0.053 0.000 2.765 286 F HA 0.396 4.932 4.527 0.015 0.000 0.302 286 F C 1.926 177.691 175.800 -0.059 0.000 1.111 286 F CA 0.165 58.136 58.000 -0.048 0.000 1.359 286 F CB -0.019 38.972 39.000 -0.015 0.000 1.097 286 F HN 0.397 nan 8.300 nan 0.000 0.577 287 G N 0.713 109.542 108.800 0.048 0.000 2.148 287 G HA2 -0.290 3.680 3.960 0.015 0.000 0.254 287 G HA3 -0.290 3.680 3.960 0.015 0.000 0.254 287 G C -0.019 174.900 174.900 0.031 0.000 0.981 287 G CA -0.237 44.870 45.100 0.012 0.000 0.670 287 G HN 0.409 nan 8.290 nan 0.000 0.528 288 E N 0.459 120.696 120.200 0.062 0.000 2.174 288 E HA 0.533 4.892 4.350 0.015 0.000 0.282 288 E C -0.893 175.714 176.600 0.012 0.000 0.992 288 E CA -0.512 55.911 56.400 0.038 0.000 0.803 288 E CB 1.419 31.149 29.700 0.050 0.000 1.090 288 E HN 0.201 nan 8.360 nan 0.000 0.396 289 D N 2.568 122.962 120.400 -0.011 0.000 2.452 289 D HA 0.131 4.780 4.640 0.015 0.000 0.226 289 D C -0.960 175.314 176.300 -0.042 0.000 1.366 289 D CA -0.421 53.559 54.000 -0.033 0.000 0.986 289 D CB 0.438 41.205 40.800 -0.054 0.000 1.420 289 D HN 0.326 nan 8.370 nan 0.000 0.583 290 N N 0.788 119.466 118.700 -0.038 0.000 2.270 290 N HA 0.079 4.828 4.740 0.015 0.000 0.198 290 N C -0.064 175.416 175.510 -0.050 0.000 1.117 290 N CA -0.268 52.760 53.050 -0.037 0.000 0.845 290 N CB 0.571 39.043 38.487 -0.026 0.000 0.980 290 N HN 0.381 nan 8.380 nan 0.000 0.486 291 S N 1.524 117.182 115.700 -0.070 0.000 2.537 291 S HA 0.185 4.664 4.470 0.015 0.000 0.286 291 S C -2.178 172.364 174.600 -0.097 0.000 1.299 291 S CA -1.246 56.905 58.200 -0.083 0.000 1.067 291 S CB 0.553 63.690 63.200 -0.105 0.000 0.864 291 S HN 0.062 nan 8.310 nan 0.000 0.494 292 P HA 0.203 nan 4.420 nan 0.000 0.274 292 P C -0.550 176.697 177.300 -0.088 0.000 1.231 292 P CA -0.648 62.414 63.100 -0.063 0.000 0.790 292 P CB 0.515 32.194 31.700 -0.035 0.000 0.951 293 V N 3.649 123.522 119.914 -0.069 0.000 2.479 293 V HA 0.041 4.170 4.120 0.015 0.000 0.281 293 V C 0.814 176.904 176.094 -0.008 0.000 1.031 293 V CA 0.109 62.380 62.300 -0.049 0.000 1.038 293 V CB -0.217 31.612 31.823 0.010 0.000 0.981 293 V HN 0.349 nan 8.190 nan 0.000 0.478 294 I N 5.447 126.018 120.570 0.001 0.000 2.437 294 I HA 0.289 4.469 4.170 0.015 0.000 0.298 294 I C 0.021 176.165 176.117 0.045 0.000 0.984 294 I CA -0.983 60.328 61.300 0.018 0.000 1.214 294 I CB 1.513 39.520 38.000 0.012 0.000 1.365 294 I HN 0.471 nan 8.210 nan 0.000 0.469 295 L N 5.759 127.008 121.223 0.044 0.000 2.456 295 L HA 0.148 4.497 4.340 0.015 0.000 0.277 295 L C 1.260 178.168 176.870 0.062 0.000 1.124 295 L CA 0.829 55.702 54.840 0.056 0.000 0.880 295 L CB 0.651 42.739 42.059 0.048 0.000 1.192 295 L HN 0.646 nan 8.230 nan 0.000 0.463 296 S N 3.540 119.288 115.700 0.079 0.000 2.356 296 S HA 0.151 4.631 4.470 0.015 0.000 0.223 296 S C 1.129 175.784 174.600 0.092 0.000 1.032 296 S CA 0.724 58.978 58.200 0.090 0.000 1.005 296 S CB -0.825 62.438 63.200 0.106 0.000 0.867 296 S HN 1.309 nan 8.310 nan 0.000 0.449 297 G N 2.011 110.871 108.800 0.101 0.000 2.598 297 G HA2 -0.216 3.753 3.960 0.015 0.000 0.244 297 G HA3 -0.216 3.753 3.960 0.015 0.000 0.244 297 G C -2.787 172.184 174.900 0.117 0.000 1.302 297 G CA -0.334 44.820 45.100 0.090 0.000 0.903 297 G HN 0.410 nan 8.290 nan 0.000 0.575 298 P HA 0.391 nan 4.420 nan 0.000 0.274 298 P C -2.220 175.096 177.300 0.027 0.000 1.237 298 P CA -0.989 62.121 63.100 0.017 0.000 0.793 298 P CB 0.068 31.745 31.700 -0.038 0.000 0.977 299 P HA 0.097 nan 4.420 nan 0.000 0.270 299 P C 0.448 177.702 177.300 -0.076 0.000 1.223 299 P CA 0.036 63.154 63.100 0.029 0.000 0.785 299 P CB 0.744 32.479 31.700 0.057 0.000 0.923 300 Q N 0.190 119.975 119.800 -0.025 0.000 2.269 300 Q HA 0.044 4.393 4.340 0.015 0.000 0.201 300 Q C 0.591 176.549 176.000 -0.071 0.000 0.946 300 Q CA 0.854 56.633 55.803 -0.039 0.000 0.877 300 Q CB 0.011 28.754 28.738 0.009 0.000 0.963 300 Q HN 0.689 nan 8.270 nan 0.000 0.472 301 S N -1.682 113.976 115.700 -0.069 0.000 2.570 301 S HA 0.666 5.145 4.470 0.015 0.000 0.270 301 S C -1.208 173.408 174.600 0.027 0.000 1.149 301 S CA -0.978 57.201 58.200 -0.035 0.000 0.837 301 S CB 0.971 64.213 63.200 0.070 0.000 1.124 301 S HN -0.054 nan 8.310 nan 0.000 0.465 302 F N 1.953 121.999 119.950 0.160 0.000 2.493 302 F HA 0.795 5.331 4.527 0.015 0.000 0.329 302 F C 0.605 176.453 175.800 0.080 0.000 1.126 302 F CA -0.605 57.479 58.000 0.141 0.000 0.937 302 F CB 2.125 41.228 39.000 0.173 0.000 1.146 302 F HN 0.964 nan 8.300 nan 0.000 0.442 303 S N 2.441 118.296 115.700 0.258 0.000 2.627 303 S HA 0.819 5.298 4.470 0.015 0.000 0.283 303 S C -1.380 173.250 174.600 0.051 0.000 1.127 303 S CA -0.811 57.448 58.200 0.098 0.000 0.863 303 S CB 2.933 66.183 63.200 0.083 0.000 1.121 303 S HN 0.430 nan 8.310 nan 0.000 0.479 304 E N 0.937 121.129 120.200 -0.014 0.000 2.256 304 E HA 0.474 4.834 4.350 0.015 0.000 0.268 304 E C -1.084 175.514 176.600 -0.003 0.000 0.877 304 E CA -0.474 55.918 56.400 -0.013 0.000 0.757 304 E CB 2.146 31.816 29.700 -0.049 0.000 1.183 304 E HN 0.769 nan 8.360 nan 0.000 0.418 305 E N 1.327 121.533 120.200 0.010 0.000 2.256 305 E HA 0.503 4.862 4.350 0.015 0.000 0.267 305 E C -1.133 175.477 176.600 0.017 0.000 0.892 305 E CA -0.858 55.547 56.400 0.008 0.000 0.775 305 E CB 2.158 31.854 29.700 -0.007 0.000 1.207 305 E HN 0.168 nan 8.360 nan 0.000 0.420 306 D N 0.793 121.209 120.400 0.026 0.000 2.879 306 D HA 0.269 4.918 4.640 0.015 0.000 0.236 306 D C -1.371 174.842 176.300 -0.145 0.000 1.171 306 D CA -0.384 53.641 54.000 0.041 0.000 0.868 306 D CB 1.747 42.655 40.800 0.181 0.000 1.598 306 D HN 0.372 nan 8.370 nan 0.000 0.497 307 S N 1.343 116.929 115.700 -0.190 0.000 2.578 307 S HA 0.933 5.412 4.470 0.015 0.000 0.301 307 S C -0.579 173.867 174.600 -0.256 0.000 1.091 307 S CA -0.727 57.199 58.200 -0.458 0.000 1.032 307 S CB 0.986 64.055 63.200 -0.218 0.000 1.064 307 S HN 0.385 nan 8.310 nan 0.000 0.508 308 F N -1.235 118.774 119.950 0.097 0.000 2.668 308 F HA 0.600 5.137 4.527 0.016 0.000 0.309 308 F C 0.840 176.707 175.800 0.112 0.000 1.117 308 F CA -1.393 56.661 58.000 0.090 0.000 0.951 308 F CB 0.971 40.009 39.000 0.062 0.000 1.323 308 F HN 0.393 nan 8.300 nan 0.000 0.451 309 K N 0.345 120.938 120.400 0.321 0.000 2.044 309 K HA -0.111 4.218 4.320 0.015 0.000 0.210 309 K C 0.017 176.812 176.600 0.324 0.000 1.049 309 K CA 1.669 58.107 56.287 0.252 0.000 0.927 309 K CB -0.010 32.586 32.500 0.159 0.000 0.713 309 K HN 0.704 nan 8.250 nan 0.000 0.443 310 K N -0.360 120.189 120.400 0.248 0.000 2.561 310 K HA 0.144 4.473 4.320 0.015 0.000 0.254 310 K C -2.047 174.492 176.600 -0.101 0.000 0.942 310 K CA -0.496 55.766 56.287 -0.043 0.000 0.818 310 K CB 1.937 34.275 32.500 -0.270 0.000 1.306 310 K HN 0.114 nan 8.250 nan 0.000 0.435 311 C N 3.443 122.682 119.300 -0.102 0.000 2.364 311 C HA 0.629 5.098 4.460 0.015 0.000 0.324 311 C C 0.466 175.402 174.990 -0.090 0.000 1.234 311 C CA -0.119 58.799 59.018 -0.167 0.000 1.417 311 C CB 0.373 27.976 27.740 -0.229 0.000 2.101 311 C HN 0.882 nan 8.230 nan 0.000 0.466 312 S N 2.463 118.005 115.700 -0.264 0.000 2.787 312 S HA 0.257 4.736 4.470 0.015 0.000 0.255 312 S C 0.078 174.233 174.600 -0.742 0.000 1.051 312 S CA -0.050 57.758 58.200 -0.652 0.000 1.124 312 S CB 0.047 62.955 63.200 -0.487 0.000 1.104 312 S HN 1.016 nan 8.310 nan 0.000 0.623 313 S N 0.894 116.458 115.700 -0.227 0.000 2.502 313 S HA 0.434 4.913 4.470 0.015 0.000 0.304 313 S C 0.512 175.255 174.600 0.238 0.000 1.097 313 S CA -0.483 57.704 58.200 -0.022 0.000 1.045 313 S CB 1.869 65.030 63.200 -0.065 0.000 1.019 313 S HN 0.288 nan 8.310 nan 0.000 0.481 314 E N 2.986 123.410 120.200 0.372 0.000 2.150 314 E HA -0.093 4.266 4.350 0.015 0.000 0.193 314 E C 1.451 178.046 176.600 -0.008 0.000 0.985 314 E CA 1.249 57.794 56.400 0.241 0.000 0.814 314 E CB 0.015 29.886 29.700 0.285 0.000 0.752 314 E HN 0.690 nan 8.360 nan 0.000 0.466 315 V N 1.034 120.955 119.914 0.011 0.000 2.427 315 V HA -0.215 3.914 4.120 0.015 0.000 0.248 315 V C 2.368 178.418 176.094 -0.074 0.000 1.051 315 V CA 2.043 64.322 62.300 -0.035 0.000 1.048 315 V CB -0.508 31.303 31.823 -0.020 0.000 0.666 315 V HN 0.289 nan 8.190 nan 0.000 0.456 316 E N 0.333 120.487 120.200 -0.077 0.000 2.072 316 E HA -0.146 4.213 4.350 0.015 0.000 0.190 316 E C 2.297 178.800 176.600 -0.161 0.000 0.982 316 E CA 1.064 57.394 56.400 -0.117 0.000 0.803 316 E CB -0.155 29.465 29.700 -0.133 0.000 0.755 316 E HN 0.539 nan 8.360 nan 0.000 0.453 317 A N 1.912 124.626 122.820 -0.178 0.000 1.883 317 A HA -0.261 4.068 4.320 0.015 0.000 0.217 317 A C 2.121 179.510 177.584 -0.324 0.000 1.186 317 A CA 1.934 53.794 52.037 -0.295 0.000 0.624 317 A CB -0.552 18.113 19.000 -0.558 0.000 0.822 317 A HN 0.201 nan 8.150 nan 0.000 0.444 318 K N -0.195 120.027 120.400 -0.298 0.000 2.032 318 K HA -0.184 4.145 4.320 0.015 0.000 0.209 318 K C 1.895 178.417 176.600 -0.130 0.000 1.048 318 K CA 1.658 57.820 56.287 -0.209 0.000 0.927 318 K CB -0.328 32.082 32.500 -0.149 0.000 0.712 318 K HN 0.631 nan 8.250 nan 0.000 0.441 319 N N 0.489 119.122 118.700 -0.112 0.000 2.084 319 N HA -0.173 4.576 4.740 0.015 0.000 0.190 319 N C 1.764 177.230 175.510 -0.073 0.000 1.030 319 N CA 1.279 54.281 53.050 -0.080 0.000 0.849 319 N CB -0.059 38.382 38.487 -0.077 0.000 1.012 319 N HN 0.122 nan 8.380 nan 0.000 0.423 320 K N 1.249 121.594 120.400 -0.093 0.000 2.032 320 K HA -0.039 4.290 4.320 0.015 0.000 0.209 320 K C 1.969 178.553 176.600 -0.027 0.000 1.048 320 K CA 0.973 57.227 56.287 -0.055 0.000 0.927 320 K CB -0.193 32.264 32.500 -0.072 0.000 0.712 320 K HN 0.141 nan 8.250 nan 0.000 0.441 321 I N 0.684 121.219 120.570 -0.057 0.000 2.394 321 I HA -0.249 3.930 4.170 0.015 0.000 0.251 321 I C 1.941 178.036 176.117 -0.035 0.000 1.136 321 I CA 1.207 62.481 61.300 -0.044 0.000 1.425 321 I CB -0.156 37.798 38.000 -0.077 0.000 1.079 321 I HN 0.256 nan 8.210 nan 0.000 0.425 322 E N 0.562 120.738 120.200 -0.040 0.000 2.106 322 E HA -0.222 4.137 4.350 0.015 0.000 0.192 322 E C 2.001 178.589 176.600 -0.020 0.000 0.984 322 E CA 1.080 57.465 56.400 -0.025 0.000 0.806 322 E CB -0.004 29.679 29.700 -0.027 0.000 0.750 322 E HN 0.562 nan 8.360 nan 0.000 0.458 323 E N 0.593 120.781 120.200 -0.021 0.000 2.072 323 E HA -0.123 4.236 4.350 0.015 0.000 0.190 323 E C 2.241 178.829 176.600 -0.021 0.000 0.982 323 E CA 0.568 56.958 56.400 -0.016 0.000 0.803 323 E CB -0.016 29.678 29.700 -0.010 0.000 0.755 323 E HN 0.224 nan 8.360 nan 0.000 0.453 324 L N 0.717 121.926 121.223 -0.023 0.000 2.046 324 L HA -0.198 4.151 4.340 0.015 0.000 0.208 324 L C 2.431 179.251 176.870 -0.082 0.000 1.077 324 L CA 0.470 55.284 54.840 -0.043 0.000 0.747 324 L CB -0.362 41.677 42.059 -0.034 0.000 0.896 324 L HN 0.195 nan 8.230 nan 0.000 0.432 325 L N 0.134 121.316 121.223 -0.067 0.000 2.012 325 L HA -0.209 4.140 4.340 0.015 0.000 0.210 325 L C 2.844 179.705 176.870 -0.014 0.000 1.073 325 L CA 2.299 57.105 54.840 -0.056 0.000 0.748 325 L CB -1.559 40.505 42.059 0.007 0.000 0.891 325 L HN 0.236 nan 8.230 nan 0.000 0.431 326 A N -1.239 121.578 122.820 -0.006 0.000 1.933 326 A HA -0.184 4.146 4.320 0.015 0.000 0.218 326 A C 2.441 180.021 177.584 -0.008 0.000 1.175 326 A CA 1.953 53.993 52.037 0.005 0.000 0.628 326 A CB -0.591 18.408 19.000 -0.002 0.000 0.814 326 A HN 0.518 nan 8.150 nan 0.000 0.444 327 S N 0.080 115.762 115.700 -0.031 0.000 2.368 327 S HA -0.080 4.399 4.470 0.015 0.000 0.224 327 S C 1.833 176.396 174.600 -0.063 0.000 1.029 327 S CA 1.325 59.496 58.200 -0.048 0.000 0.988 327 S CB -0.492 62.675 63.200 -0.055 0.000 0.838 327 S HN 0.488 nan 8.310 nan 0.000 0.462 328 L N 0.922 122.095 121.223 -0.083 0.000 2.046 328 L HA -0.089 4.260 4.340 0.015 0.000 0.208 328 L C 2.307 179.247 176.870 0.116 0.000 1.077 328 L CA 1.115 55.897 54.840 -0.096 0.000 0.747 328 L CB -0.480 41.328 42.059 -0.419 0.000 0.896 328 L HN 0.300 nan 8.230 nan 0.000 0.432 329 L N -0.665 120.656 121.223 0.163 0.000 2.083 329 L HA -0.237 4.112 4.340 0.015 0.000 0.209 329 L C 2.171 179.092 176.870 0.085 0.000 1.083 329 L CA 1.375 56.335 54.840 0.200 0.000 0.752 329 L CB -0.590 41.560 42.059 0.153 0.000 0.899 329 L HN 0.374 nan 8.230 nan 0.000 0.433 330 N N -0.457 118.256 118.700 0.023 0.000 2.205 330 N HA -0.188 4.561 4.740 0.015 0.000 0.186 330 N C 1.885 177.360 175.510 -0.059 0.000 1.015 330 N CA 0.810 53.849 53.050 -0.019 0.000 0.862 330 N CB 0.021 38.486 38.487 -0.038 0.000 0.986 330 N HN 0.279 nan 8.380 nan 0.000 0.429 331 R N 0.701 121.130 120.500 -0.118 0.000 2.200 331 R HA 0.029 4.379 4.340 0.015 0.000 0.208 331 R C 2.091 178.285 176.300 -0.177 0.000 1.033 331 R CA 0.058 55.986 56.100 -0.286 0.000 1.000 331 R CB -0.191 29.740 30.300 -0.614 0.000 0.906 331 R HN 0.061 nan 8.270 nan 0.000 0.462 332 V N 0.204 120.145 119.914 0.045 0.000 2.252 332 V HA -0.432 3.697 4.120 0.015 0.000 0.255 332 V C 1.801 178.062 176.094 0.278 0.000 1.071 332 V CA 2.453 64.896 62.300 0.238 0.000 1.050 332 V CB 0.007 31.939 31.823 0.183 0.000 0.654 332 V HN 0.723 nan 8.190 nan 0.000 0.448 333 C N -4.589 114.802 119.300 0.151 0.000 4.655 333 C HA -0.156 4.313 4.460 0.015 0.000 0.217 333 C C 2.039 177.056 174.990 0.045 0.000 2.147 333 C CA 0.531 59.590 59.018 0.068 0.000 1.715 333 C CB -1.297 26.469 27.740 0.044 0.000 1.881 333 C HN 0.450 nan 8.230 nan 0.000 0.490 334 Q N 1.214 121.028 119.800 0.023 0.000 2.311 334 Q HA -0.029 4.320 4.340 0.015 0.000 0.203 334 Q C 1.415 177.428 176.000 0.023 0.000 0.954 334 Q CA 1.842 57.648 55.803 0.004 0.000 0.885 334 Q CB -0.394 28.326 28.738 -0.030 0.000 0.963 334 Q HN 0.946 nan 8.270 nan 0.000 0.471 335 D N -1.627 118.817 120.400 0.074 0.000 2.277 335 D HA -0.048 4.601 4.640 0.015 0.000 0.208 335 D C 1.316 177.652 176.300 0.060 0.000 0.962 335 D CA 1.185 55.234 54.000 0.083 0.000 0.865 335 D CB 0.272 41.184 40.800 0.186 0.000 0.939 335 D HN 0.272 nan 8.370 nan 0.000 0.510 336 G N 1.309 110.149 108.800 0.067 0.000 2.345 336 G HA2 -0.292 3.677 3.960 0.015 0.000 0.218 336 G HA3 -0.292 3.677 3.960 0.015 0.000 0.218 336 G C 0.467 175.391 174.900 0.041 0.000 1.058 336 G CA 0.093 45.217 45.100 0.041 0.000 0.632 336 G HN 0.633 nan 8.290 nan 0.000 0.508 337 R N 0.755 121.283 120.500 0.046 0.000 2.500 337 R HA 0.755 5.104 4.340 0.015 0.000 0.275 337 R C -0.415 175.906 176.300 0.036 0.000 1.051 337 R CA -0.393 55.725 56.100 0.031 0.000 1.088 337 R CB 0.807 31.112 30.300 0.008 0.000 1.063 337 R HN 0.260 nan 8.270 nan 0.000 0.511 338 K N 1.429 121.841 120.400 0.021 0.000 2.203 338 K HA 0.424 4.753 4.320 0.015 0.000 0.251 338 K C -2.433 174.160 176.600 -0.012 0.000 0.944 338 K CA -2.130 54.140 56.287 -0.029 0.000 0.829 338 K CB 1.823 34.274 32.500 -0.082 0.000 1.125 338 K HN 0.456 nan 8.250 nan 0.000 0.430 339 P HA 0.137 nan 4.420 nan 0.000 0.279 339 P C -0.631 176.610 177.300 -0.099 0.000 1.239 339 P CA -0.219 62.834 63.100 -0.079 0.000 0.789 339 P CB 0.921 32.491 31.700 -0.218 0.000 0.933 340 H N -0.890 118.127 119.070 -0.088 0.000 2.622 340 H HA 0.184 4.749 4.556 0.015 0.000 0.269 340 H C 0.714 176.018 175.328 -0.041 0.000 0.977 340 H CA 0.549 56.554 56.048 -0.070 0.000 1.179 340 H CB 0.431 30.162 29.762 -0.051 0.000 1.458 340 H HN 0.426 nan 8.280 nan 0.000 0.531 341 T N -1.711 112.892 114.554 0.083 0.000 2.916 341 T HA 0.536 4.896 4.350 0.015 0.000 0.305 341 T C -1.316 173.468 174.700 0.140 0.000 1.119 341 T CA -0.836 61.315 62.100 0.084 0.000 1.008 341 T CB 1.656 70.573 68.868 0.081 0.000 1.129 341 T HN -0.083 nan 8.240 nan 0.000 0.480 342 V N 3.430 123.435 119.914 0.151 0.000 2.555 342 V HA 0.819 4.948 4.120 0.015 0.000 0.302 342 V C -0.460 175.723 176.094 0.148 0.000 1.038 342 V CA -0.911 61.528 62.300 0.231 0.000 0.887 342 V CB 1.662 33.646 31.823 0.267 0.000 0.991 342 V HN 1.086 nan 8.190 nan 0.000 0.434 343 R N 4.684 125.266 120.500 0.136 0.000 2.686 343 R HA 0.682 5.031 4.340 0.015 0.000 0.286 343 R C -2.043 174.303 176.300 0.077 0.000 0.969 343 R CA -0.749 55.407 56.100 0.092 0.000 0.898 343 R CB 1.951 32.300 30.300 0.081 0.000 1.183 343 R HN 0.655 nan 8.270 nan 0.000 0.456 344 L N 4.842 126.110 121.223 0.075 0.000 2.341 344 L HA 0.548 4.897 4.340 0.015 0.000 0.278 344 L C -1.590 175.324 176.870 0.074 0.000 1.005 344 L CA -0.480 54.408 54.840 0.080 0.000 0.818 344 L CB 1.648 43.773 42.059 0.109 0.000 1.259 344 L HN 0.567 nan 8.230 nan 0.000 0.418 345 I N 6.146 126.758 120.570 0.071 0.000 2.433 345 I HA 0.507 4.686 4.170 0.015 0.000 0.292 345 I C 0.018 176.183 176.117 0.079 0.000 1.001 345 I CA -0.305 61.031 61.300 0.059 0.000 1.119 345 I CB 1.579 39.604 38.000 0.041 0.000 1.289 345 I HN 0.596 nan 8.210 nan 0.000 0.438 346 I N 2.540 123.153 120.570 0.071 0.000 2.863 346 I HA 0.750 4.929 4.170 0.015 0.000 0.311 346 I C -0.557 175.596 176.117 0.061 0.000 1.026 346 I CA -0.940 60.417 61.300 0.094 0.000 1.077 346 I CB 2.055 40.114 38.000 0.099 0.000 1.262 346 I HN 0.582 nan 8.210 nan 0.000 0.461 347 R N 2.924 123.469 120.500 0.076 0.000 2.514 347 R HA 0.538 4.887 4.340 0.015 0.000 0.296 347 R C -1.106 175.274 176.300 0.133 0.000 1.012 347 R CA -0.669 55.469 56.100 0.063 0.000 0.897 347 R CB 1.837 32.144 30.300 0.012 0.000 1.184 347 R HN 0.846 nan 8.270 nan 0.000 0.440 348 R N 2.256 122.841 120.500 0.141 0.000 2.606 348 R HA 0.569 4.918 4.340 0.015 0.000 0.249 348 R C -0.979 175.490 176.300 0.281 0.000 1.127 348 R CA -0.709 55.521 56.100 0.217 0.000 1.133 348 R CB 0.732 31.135 30.300 0.171 0.000 1.243 348 R HN 0.558 nan 8.270 nan 0.000 0.558 357 R N 0.748 121.243 120.500 -0.008 0.000 2.577 357 R HA 0.652 5.001 4.340 0.015 0.000 0.269 357 R C -0.459 175.845 176.300 0.007 0.000 1.084 357 R CA -0.042 56.060 56.100 0.002 0.000 1.163 357 R CB 0.932 31.233 30.300 0.003 0.000 1.100 357 R HN 0.480 nan 8.270 nan 0.000 0.547 358 E N -0.278 119.929 120.200 0.012 0.000 2.288 358 E HA 0.431 4.791 4.350 0.015 0.000 0.268 358 E C -1.202 175.406 176.600 0.013 0.000 0.885 358 E CA -0.690 55.714 56.400 0.007 0.000 0.767 358 E CB 2.235 31.933 29.700 -0.003 0.000 1.220 358 E HN 0.635 nan 8.360 nan 0.000 0.427 359 S N 1.904 117.612 115.700 0.013 0.000 2.618 359 S HA 0.715 5.194 4.470 0.015 0.000 0.277 359 S C -0.997 173.615 174.600 0.020 0.000 1.138 359 S CA -1.130 57.083 58.200 0.023 0.000 0.844 359 S CB 1.856 65.074 63.200 0.031 0.000 1.127 359 S HN 0.308 nan 8.310 nan 0.000 0.474 360 R N 1.474 121.992 120.500 0.030 0.000 2.564 360 R HA 0.490 4.840 4.340 0.015 0.000 0.284 360 R C -0.958 175.370 176.300 0.046 0.000 1.031 360 R CA -0.398 55.720 56.100 0.030 0.000 0.904 360 R CB 1.824 32.139 30.300 0.025 0.000 1.199 360 R HN 1.008 nan 8.270 nan 0.000 0.443 361 Q N 0.781 120.607 119.800 0.044 0.000 2.496 361 Q HA 0.838 5.188 4.340 0.015 0.000 0.286 361 Q C -0.680 175.349 176.000 0.048 0.000 1.103 361 Q CA -0.874 54.962 55.803 0.054 0.000 0.813 361 Q CB 2.477 31.249 28.738 0.056 0.000 1.444 361 Q HN 0.777 nan 8.270 nan 0.000 0.443 362 C N -2.608 116.724 119.300 0.053 0.000 3.303 362 C HA 0.668 5.137 4.460 0.015 0.000 0.340 362 C C -3.034 171.981 174.990 0.042 0.000 1.274 362 C CA -1.535 57.508 59.018 0.042 0.000 1.234 362 C CB 0.877 28.639 27.740 0.038 0.000 1.532 362 C HN 0.762 nan 8.230 nan 0.000 0.483 363 P HA 0.431 nan 4.420 nan 0.000 0.272 363 P C -0.611 176.683 177.300 -0.010 0.000 1.223 363 P CA -0.022 63.090 63.100 0.020 0.000 0.784 363 P CB 0.348 32.058 31.700 0.016 0.000 0.923 364 I N 3.451 123.993 120.570 -0.045 0.000 2.371 364 I HA 0.217 4.396 4.170 0.015 0.000 0.290 364 I C -1.949 174.065 176.117 -0.170 0.000 1.028 364 I CA -2.316 58.922 61.300 -0.105 0.000 1.345 364 I CB 0.567 38.471 38.000 -0.161 0.000 1.407 364 I HN 0.162 nan 8.210 nan 0.000 0.501 365 P HA -0.009 nan 4.420 nan 0.000 0.266 365 P C 0.684 177.740 177.300 -0.405 0.000 1.195 365 P CA 0.020 62.917 63.100 -0.338 0.000 0.768 365 P CB 0.610 31.989 31.700 -0.534 0.000 0.838 366 S N 2.061 117.580 115.700 -0.302 0.000 2.399 366 S HA -0.250 4.230 4.470 0.015 0.000 0.231 366 S C 1.590 176.089 174.600 -0.167 0.000 1.022 366 S CA 1.617 59.692 58.200 -0.207 0.000 0.983 366 S CB -1.380 61.766 63.200 -0.090 0.000 0.803 366 S HN 0.687 nan 8.310 nan 0.000 0.480 367 H N 0.949 119.990 119.070 -0.048 0.000 2.495 367 H HA 0.239 4.804 4.556 0.015 0.000 0.287 367 H C 1.635 176.934 175.328 -0.048 0.000 1.033 367 H CA 0.926 56.950 56.048 -0.040 0.000 1.307 367 H CB -0.831 28.917 29.762 -0.024 0.000 1.401 367 H HN 0.290 nan 8.280 nan 0.000 0.555 368 V N 0.932 120.749 119.914 -0.162 0.000 2.346 368 V HA -0.138 3.991 4.120 0.015 0.000 0.244 368 V C 2.580 178.605 176.094 -0.114 0.000 1.037 368 V CA 1.559 63.819 62.300 -0.066 0.000 1.029 368 V CB -0.541 31.205 31.823 -0.128 0.000 0.663 368 V HN 0.375 nan 8.190 nan 0.000 0.454 369 I N -0.076 120.375 120.570 -0.198 0.000 2.194 369 I HA -0.277 3.902 4.170 0.015 0.000 0.246 369 I C 1.385 177.409 176.117 -0.156 0.000 1.093 369 I CA 1.270 62.425 61.300 -0.242 0.000 1.355 369 I CB -0.321 37.447 38.000 -0.386 0.000 1.046 369 I HN 0.390 nan 8.210 nan 0.000 0.413 370 Q N 3.404 123.147 119.800 -0.096 0.000 2.546 370 Q HA -0.040 4.309 4.340 0.015 0.000 0.237 370 Q C -0.106 175.874 176.000 -0.035 0.000 1.333 370 Q CA 0.422 56.195 55.803 -0.049 0.000 0.877 370 Q CB -0.193 28.534 28.738 -0.018 0.000 1.629 370 Q HN 0.275 nan 8.270 nan 0.000 0.549 379 V N 4.817 124.749 119.914 0.031 0.000 2.949 379 V HA 0.064 4.194 4.120 0.015 0.000 0.245 379 V C 1.849 177.973 176.094 0.050 0.000 1.086 379 V CA 0.602 62.925 62.300 0.040 0.000 1.097 379 V CB -0.171 31.672 31.823 0.034 0.000 0.762 379 V HN 0.661 nan 8.190 nan 0.000 0.470 380 M N 1.222 120.850 119.600 0.047 0.000 2.106 380 M HA -0.160 4.329 4.480 0.015 0.000 0.259 380 M C 2.377 178.703 176.300 0.042 0.000 1.068 380 M CA 2.749 58.079 55.300 0.049 0.000 1.100 380 M CB -1.200 31.421 32.600 0.035 0.000 1.351 380 M HN 0.756 nan 8.290 nan 0.000 0.404 381 T N -1.508 113.066 114.554 0.034 0.000 2.812 381 T HA 0.006 4.365 4.350 0.015 0.000 0.264 381 T C -0.877 173.845 174.700 0.037 0.000 1.042 381 T CA 0.658 62.775 62.100 0.028 0.000 1.140 381 T CB -1.650 67.229 68.868 0.018 0.000 0.870 381 T HN 0.199 nan 8.240 nan 0.000 0.445 382 P HA 0.068 nan 4.420 nan 0.000 0.223 382 P C 1.688 179.026 177.300 0.063 0.000 1.151 382 P CA 0.782 63.919 63.100 0.062 0.000 0.787 382 P CB -0.169 31.583 31.700 0.087 0.000 0.788 383 M N -0.211 119.428 119.600 0.066 0.000 2.193 383 M HA -0.065 4.424 4.480 0.015 0.000 0.265 383 M C 2.281 178.626 176.300 0.074 0.000 1.071 383 M CA 1.335 56.684 55.300 0.082 0.000 1.140 383 M CB -1.408 31.264 32.600 0.120 0.000 1.369 383 M HN -0.111 nan 8.290 nan 0.000 0.423 384 V N 0.025 119.971 119.914 0.053 0.000 2.407 384 V HA -0.225 3.904 4.120 0.015 0.000 0.248 384 V C 1.923 178.035 176.094 0.030 0.000 1.055 384 V CA 2.059 64.378 62.300 0.032 0.000 1.049 384 V CB -1.608 30.223 31.823 0.012 0.000 0.662 384 V HN 0.416 nan 8.190 nan 0.000 0.455 385 D N 0.968 121.390 120.400 0.036 0.000 2.117 385 D HA -0.203 4.446 4.640 0.015 0.000 0.197 385 D C 2.183 178.513 176.300 0.049 0.000 0.987 385 D CA 1.808 55.831 54.000 0.038 0.000 0.829 385 D CB -0.399 40.423 40.800 0.038 0.000 0.961 385 D HN 0.523 nan 8.370 nan 0.000 0.460 386 I N 0.632 121.234 120.570 0.054 0.000 2.118 386 I HA -0.296 3.883 4.170 0.015 0.000 0.241 386 I C 2.735 178.894 176.117 0.070 0.000 1.070 386 I CA 1.053 62.389 61.300 0.060 0.000 1.327 386 I CB -0.276 37.762 38.000 0.063 0.000 1.034 386 I HN -0.056 nan 8.210 nan 0.000 0.405 387 L N -0.628 120.638 121.223 0.072 0.000 2.141 387 L HA -0.213 4.136 4.340 0.015 0.000 0.209 387 L C 2.554 179.484 176.870 0.101 0.000 1.094 387 L CA 0.969 55.857 54.840 0.081 0.000 0.763 387 L CB -0.319 41.778 42.059 0.062 0.000 0.908 387 L HN 0.274 nan 8.230 nan 0.000 0.437 388 M N -0.593 119.052 119.600 0.074 0.000 2.156 388 M HA -0.155 4.334 4.480 0.015 0.000 0.264 388 M C 2.189 178.580 176.300 0.152 0.000 1.067 388 M CA 1.589 56.949 55.300 0.101 0.000 1.131 388 M CB -0.898 31.723 32.600 0.036 0.000 1.368 388 M HN 0.108 nan 8.290 nan 0.000 0.416 389 K N 0.268 120.727 120.400 0.098 0.000 2.074 389 K HA -0.132 4.197 4.320 0.015 0.000 0.209 389 K C 2.061 178.709 176.600 0.079 0.000 1.048 389 K CA 1.170 57.505 56.287 0.079 0.000 0.926 389 K CB -0.419 32.115 32.500 0.057 0.000 0.713 389 K HN 0.294 nan 8.250 nan 0.000 0.444 390 L N -0.175 121.104 121.223 0.093 0.000 2.046 390 L HA -0.172 4.177 4.340 0.015 0.000 0.208 390 L C 2.404 179.327 176.870 0.089 0.000 1.077 390 L CA 1.034 55.923 54.840 0.081 0.000 0.747 390 L CB -0.486 41.626 42.059 0.088 0.000 0.896 390 L HN 0.109 nan 8.230 nan 0.000 0.432 391 F N 1.197 121.134 119.950 -0.020 0.000 2.065 391 F HA -0.261 4.275 4.527 0.015 0.000 0.298 391 F C 2.716 178.466 175.800 -0.082 0.000 1.112 391 F CA 1.708 59.677 58.000 -0.052 0.000 1.212 391 F CB -0.193 38.775 39.000 -0.052 0.000 0.975 391 F HN -0.136 nan 8.300 nan 0.000 0.476 392 R N -0.017 120.494 120.500 0.018 0.000 2.189 392 R HA -0.145 4.204 4.340 0.015 0.000 0.223 392 R C 2.167 178.393 176.300 -0.123 0.000 1.092 392 R CA 1.091 57.138 56.100 -0.088 0.000 0.989 392 R CB -0.721 29.607 30.300 0.047 0.000 0.876 392 R HN 0.502 nan 8.270 nan 0.000 0.457 393 N N 0.457 119.109 118.700 -0.080 0.000 2.188 393 N HA -0.129 4.620 4.740 0.015 0.000 0.184 393 N C 1.616 177.059 175.510 -0.110 0.000 1.018 393 N CA 0.980 53.989 53.050 -0.069 0.000 0.858 393 N CB 0.156 38.625 38.487 -0.030 0.000 0.989 393 N HN 0.197 nan 8.380 nan 0.000 0.426 394 M N 0.251 119.748 119.600 -0.173 0.000 2.394 394 M HA 0.079 4.568 4.480 0.015 0.000 0.266 394 M C 0.076 176.207 176.300 -0.282 0.000 1.098 394 M CA 0.511 55.694 55.300 -0.194 0.000 1.149 394 M CB 0.720 33.202 32.600 -0.197 0.000 1.369 394 M HN -0.142 nan 8.290 nan 0.000 0.450 395 V N 1.934 121.564 119.914 -0.474 0.000 2.350 395 V HA 0.224 4.353 4.120 0.015 0.000 0.285 395 V C -0.193 175.652 176.094 -0.414 0.000 1.014 395 V CA -1.072 60.867 62.300 -0.602 0.000 0.831 395 V CB 1.191 32.242 31.823 -1.287 0.000 1.000 395 V HN 0.261 nan 8.190 nan 0.000 0.433 396 N N 3.892 122.465 118.700 -0.212 0.000 2.400 396 N HA 0.023 4.772 4.740 0.015 0.000 0.267 396 N C 0.983 176.484 175.510 -0.015 0.000 1.208 396 N CA 0.099 53.099 53.050 -0.084 0.000 0.951 396 N CB 1.799 40.275 38.487 -0.019 0.000 1.227 396 N HN 0.662 nan 8.380 nan 0.000 0.488 397 V N 1.850 121.767 119.914 0.005 0.000 3.306 397 V HA 0.080 4.209 4.120 0.015 0.000 0.264 397 V C 1.665 177.900 176.094 0.234 0.000 1.149 397 V CA 0.851 63.261 62.300 0.183 0.000 1.143 397 V CB -0.314 31.622 31.823 0.187 0.000 0.767 397 V HN 0.432 nan 8.190 nan 0.000 0.476 398 K N -0.231 120.249 120.400 0.133 0.000 2.365 398 K HA 0.237 4.566 4.320 0.015 0.000 0.197 398 K C 0.617 177.280 176.600 0.104 0.000 1.042 398 K CA 0.425 56.775 56.287 0.104 0.000 0.987 398 K CB 0.086 32.625 32.500 0.065 0.000 0.779 398 K HN 0.426 nan 8.250 nan 0.000 0.484 399 M N 1.290 120.968 119.600 0.129 0.000 2.238 399 M HA 0.245 4.734 4.480 0.015 0.000 0.350 399 M C -2.545 173.867 176.300 0.187 0.000 1.138 399 M CA -2.675 52.697 55.300 0.120 0.000 1.040 399 M CB 1.308 33.964 32.600 0.092 0.000 1.639 399 M HN -0.285 nan 8.290 nan 0.000 0.451 400 P HA 0.050 nan 4.420 nan 0.000 0.260 400 P C -1.547 175.832 177.300 0.130 0.000 1.172 400 P CA 0.530 63.647 63.100 0.028 0.000 0.760 400 P CB -0.201 31.498 31.700 -0.001 0.000 0.773 401 F N 0.509 120.494 119.950 0.059 0.000 2.631 401 F HA 0.724 5.260 4.527 0.015 0.000 0.328 401 F C -0.437 175.447 175.800 0.139 0.000 1.067 401 F CA -0.993 57.059 58.000 0.086 0.000 0.969 401 F CB 1.592 40.629 39.000 0.062 0.000 1.332 401 F HN 0.233 nan 8.300 nan 0.000 0.490 402 H N 2.744 121.982 119.070 0.280 0.000 3.162 402 H HA 0.464 5.029 4.556 0.015 0.000 0.309 402 H C -1.914 173.590 175.328 0.294 0.000 1.156 402 H CA -0.556 55.607 56.048 0.192 0.000 1.586 402 H CB 0.888 30.698 29.762 0.079 0.000 1.740 402 H HN 0.762 nan 8.280 nan 0.000 0.525 403 L N 2.791 124.329 121.223 0.525 0.000 2.343 403 L HA 0.335 4.684 4.340 0.015 0.000 0.275 403 L C 1.332 178.577 176.870 0.624 0.000 1.056 403 L CA -0.403 54.765 54.840 0.547 0.000 0.804 403 L CB 1.920 44.324 42.059 0.576 0.000 1.203 403 L HN 0.497 nan 8.230 nan 0.000 0.440 404 T N 1.775 116.554 114.554 0.376 0.000 3.058 404 T HA 0.378 4.737 4.350 0.015 0.000 0.278 404 T C -0.470 173.905 174.700 -0.541 0.000 0.974 404 T CA -0.030 62.125 62.100 0.093 0.000 0.893 404 T CB 0.153 69.123 68.868 0.168 0.000 1.138 404 T HN 0.368 nan 8.240 nan 0.000 0.529 405 L N 1.117 122.076 121.223 -0.440 0.000 2.549 405 L HA 0.653 5.002 4.340 0.015 0.000 0.259 405 L C -2.259 174.566 176.870 -0.074 0.000 0.934 405 L CA -0.716 53.839 54.840 -0.475 0.000 0.865 405 L CB 1.952 43.888 42.059 -0.205 0.000 1.352 405 L HN 0.059 nan 8.230 nan 0.000 0.410 406 L N 3.405 124.630 121.223 0.004 0.000 2.410 406 L HA 0.757 5.106 4.340 0.015 0.000 0.270 406 L C -0.723 176.199 176.870 0.087 0.000 0.983 406 L CA -0.439 54.509 54.840 0.179 0.000 0.822 406 L CB 2.204 44.470 42.059 0.345 0.000 1.285 406 L HN 0.623 nan 8.230 nan 0.000 0.409 407 S N 1.988 117.731 115.700 0.071 0.000 2.575 407 S HA 0.719 5.199 4.470 0.015 0.000 0.278 407 S C -1.197 173.418 174.600 0.025 0.000 1.139 407 S CA -0.433 57.788 58.200 0.034 0.000 0.954 407 S CB 1.783 64.997 63.200 0.024 0.000 1.054 407 S HN 0.231 nan 8.310 nan 0.000 0.483 408 V N 3.759 123.662 119.914 -0.018 0.000 2.459 408 V HA 0.586 4.716 4.120 0.015 0.000 0.295 408 V C -0.080 175.958 176.094 -0.095 0.000 1.029 408 V CA -0.740 61.522 62.300 -0.064 0.000 0.874 408 V CB 1.263 33.008 31.823 -0.130 0.000 0.985 408 V HN 0.972 nan 8.190 nan 0.000 0.438 409 C N 6.161 125.438 119.300 -0.038 0.000 2.369 409 C HA 0.639 5.108 4.460 0.015 0.000 0.322 409 C C -0.350 174.720 174.990 0.134 0.000 1.258 409 C CA -0.776 58.258 59.018 0.025 0.000 1.487 409 C CB -0.116 27.672 27.740 0.080 0.000 2.165 409 C HN 0.805 nan 8.230 nan 0.000 0.483 410 F N 5.913 125.941 119.950 0.130 0.000 2.404 410 F HA 0.493 5.029 4.527 0.015 0.000 0.358 410 F C 1.128 176.968 175.800 0.067 0.000 1.120 410 F CA -0.656 57.412 58.000 0.112 0.000 1.144 410 F CB 0.697 39.802 39.000 0.176 0.000 1.133 410 F HN 0.860 nan 8.300 nan 0.000 0.495 411 C N 1.358 120.799 119.300 0.235 0.000 3.235 411 C HA 0.628 5.097 4.460 0.015 0.000 0.351 411 C C 0.170 175.204 174.990 0.073 0.000 1.520 411 C CA -1.222 57.862 59.018 0.110 0.000 1.474 411 C CB 1.148 28.943 27.740 0.092 0.000 2.019 411 C HN 0.915 nan 8.230 nan 0.000 0.446 412 N N -0.375 118.345 118.700 0.034 0.000 2.681 412 N HA -0.138 4.611 4.740 0.015 0.000 0.259 412 N C -1.172 174.348 175.510 0.017 0.000 1.066 412 N CA 0.281 53.340 53.050 0.016 0.000 0.717 412 N CB -1.309 37.199 38.487 0.035 0.000 0.885 412 N HN 0.689 nan 8.380 nan 0.000 0.547 413 L N 0.979 122.190 121.223 -0.020 0.000 2.349 413 L HA 0.470 4.819 4.340 0.015 0.000 0.275 413 L C 1.141 177.979 176.870 -0.053 0.000 1.115 413 L CA 0.515 55.343 54.840 -0.019 0.000 0.820 413 L CB 1.080 43.081 42.059 -0.097 0.000 1.135 413 L HN 0.212 nan 8.230 nan 0.000 0.445 414 K N 0.000 120.381 120.400 -0.032 0.000 2.780 414 K HA 0.000 4.329 4.320 0.015 0.000 0.191 414 K CA 0.000 56.219 56.287 -0.113 0.000 0.838 414 K CB 0.000 32.266 32.500 -0.391 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543