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 3gv5_1_D DATA FIRST_RESID 26 DATA SEQUENCE SSRVIVHVDL DCFYAQVEXI SNPELKDKPL GVQQKYLVVT CNYEARKLGV DATA SEQUENCE KKLXNVRDAK EKCPQLVLVN GEDLTRYREX SYKVTELLEE FSPVVERLGF DATA SEQUENCE DENFVDLTEX VEKRLQQLQS DELSAVTVSG HVYNNQSINL LDVLHIRLLV DATA SEQUENCE GSQIAAEXRE AXYNQLGLTG CAGVASNKLL AKLVSGVFKP NQQTVLLPES DATA SEQUENCE CQHLIHSLNH IKEIPGIGYK TAKCLEALGI NSVRDLQTFS PKILEKELGI DATA SEQUENCE SVAQRIQKLS FGEDNSPVIL SGPPQSFSEE DSFKKCSSEV EAKNKIEELL DATA SEQUENCE ASLLNRVCQD GRKPHTVRLI IRRYSSXXXX GRESRQCPIP SHVIQKLXXX DATA SEQUENCE NYDVXTPXVD ILXKLFRNXV NVKXPFHLTL LSVCFCNLKA 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 0.007 0.000 1.055 26 S CA 0.000 58.203 58.200 0.004 0.000 1.107 26 S CB 0.000 63.202 63.200 0.003 0.000 0.593 27 S N 4.631 120.338 115.700 0.012 0.000 2.501 27 S HA 0.853 5.323 4.470 -0.000 0.000 0.301 27 S C -0.429 174.182 174.600 0.019 0.000 1.096 27 S CA -0.919 57.291 58.200 0.017 0.000 1.063 27 S CB 1.514 64.728 63.200 0.023 0.000 1.042 27 S HN 0.810 nan 8.310 nan 0.000 0.494 28 R N 0.801 121.313 120.500 0.020 0.000 2.892 28 R HA 0.772 5.112 4.340 -0.000 0.000 0.265 28 R C -1.445 174.872 176.300 0.029 0.000 1.025 28 R CA -1.077 55.037 56.100 0.022 0.000 0.982 28 R CB 2.050 32.359 30.300 0.016 0.000 1.185 28 R HN 0.530 nan 8.270 nan 0.000 0.484 29 V N 3.435 123.370 119.914 0.034 0.000 2.376 29 V HA 0.389 4.508 4.120 -0.000 0.000 0.287 29 V C -0.556 175.567 176.094 0.049 0.000 1.015 29 V CA -0.694 61.630 62.300 0.040 0.000 0.834 29 V CB 1.463 33.309 31.823 0.039 0.000 1.001 29 V HN 0.506 nan 8.190 nan 0.000 0.428 30 I N 5.097 125.703 120.570 0.060 0.000 2.441 30 I HA 0.506 4.676 4.170 -0.000 0.000 0.295 30 I C -0.117 176.066 176.117 0.111 0.000 0.994 30 I CA -0.688 60.669 61.300 0.094 0.000 1.144 30 I CB 1.892 39.956 38.000 0.106 0.000 1.314 30 I HN 0.357 nan 8.210 nan 0.000 0.445 31 V N 6.523 126.507 119.914 0.117 0.000 2.581 31 V HA 0.422 4.542 4.120 -0.000 0.000 0.303 31 V C -0.628 175.546 176.094 0.135 0.000 1.041 31 V CA -0.429 61.925 62.300 0.090 0.000 0.907 31 V CB 1.850 33.676 31.823 0.006 0.000 0.994 31 V HN 0.779 nan 8.190 nan 0.000 0.442 32 H N 5.678 124.725 119.070 -0.038 0.000 2.551 32 H HA 0.566 5.121 4.556 -0.000 0.000 0.321 32 H C -1.486 173.710 175.328 -0.219 0.000 1.028 32 H CA -0.520 55.377 56.048 -0.252 0.000 1.215 32 H CB 1.794 31.401 29.762 -0.258 0.000 1.414 32 H HN 0.502 nan 8.280 nan 0.000 0.480 33 V N 5.804 125.333 119.914 -0.642 0.000 2.398 33 V HA 0.151 4.271 4.120 -0.000 0.000 0.286 33 V C 0.022 175.699 176.094 -0.695 0.000 1.026 33 V CA -0.536 61.463 62.300 -0.501 0.000 0.868 33 V CB 1.529 33.157 31.823 -0.326 0.000 0.982 33 V HN 0.749 nan 8.190 nan 0.000 0.443 34 D N 4.267 124.387 120.400 -0.468 0.000 2.575 34 D HA 0.336 4.975 4.640 -0.000 0.000 0.250 34 D C -0.787 175.412 176.300 -0.169 0.000 1.279 34 D CA -0.389 53.401 54.000 -0.351 0.000 0.925 34 D CB 1.592 42.260 40.800 -0.221 0.000 1.261 34 D HN 0.282 nan 8.370 nan 0.000 0.567 35 L N 2.427 123.552 121.223 -0.163 0.000 2.397 35 L HA 0.224 4.564 4.340 -0.000 0.000 0.271 35 L C 0.403 177.318 176.870 0.075 0.000 1.148 35 L CA -0.336 54.480 54.840 -0.040 0.000 0.825 35 L CB 0.868 42.888 42.059 -0.064 0.000 1.117 35 L HN 0.336 nan 8.230 nan 0.000 0.456 36 D N 1.632 122.113 120.400 0.134 0.000 2.417 36 D HA 0.039 4.678 4.640 -0.000 0.000 0.250 36 D C 0.813 177.265 176.300 0.252 0.000 1.166 36 D CA 0.023 54.148 54.000 0.209 0.000 0.881 36 D CB 0.548 41.459 40.800 0.184 0.000 1.164 36 D HN 0.794 nan 8.370 nan 0.000 0.467 37 C N 2.755 122.191 119.300 0.227 0.000 2.769 37 C HA -0.237 4.222 4.460 -0.000 0.000 0.222 37 C C 1.734 176.792 174.990 0.113 0.000 1.371 37 C CA -0.838 58.236 59.018 0.095 0.000 2.390 37 C CB -2.884 24.882 27.740 0.043 0.000 1.523 37 C HN 0.646 nan 8.230 nan 0.000 0.394 38 F N 1.459 121.377 119.950 -0.053 0.000 2.069 38 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 38 F C 2.332 178.173 175.800 0.068 0.000 1.113 38 F CA 2.001 60.007 58.000 0.009 0.000 1.214 38 F CB -0.730 38.273 39.000 0.005 0.000 0.978 38 F HN 0.619 nan 8.300 nan 0.000 0.474 39 Y N -0.292 119.734 120.300 -0.456 0.000 2.165 39 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 39 Y C 2.664 178.323 175.900 -0.401 0.000 1.155 39 Y CA 0.384 57.974 58.100 -0.849 0.000 1.164 39 Y CB -0.761 37.167 38.460 -0.887 0.000 0.978 39 Y HN 0.208 nan 8.280 nan 0.000 0.513 40 A N 0.005 122.802 122.820 -0.038 0.000 1.933 40 A HA -0.235 4.084 4.320 -0.000 0.000 0.218 40 A C 2.075 179.669 177.584 0.017 0.000 1.175 40 A CA 1.522 53.562 52.037 0.006 0.000 0.628 40 A CB -0.657 18.348 19.000 0.009 0.000 0.814 40 A HN 0.480 nan 8.150 nan 0.000 0.444 41 Q N -0.501 119.307 119.800 0.013 0.000 2.046 41 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 41 Q C 2.163 178.162 176.000 -0.001 0.000 0.975 41 Q CA 1.722 57.550 55.803 0.041 0.000 0.836 41 Q CB -0.237 28.565 28.738 0.106 0.000 0.896 41 Q HN 0.494 nan 8.270 nan 0.000 0.428 42 V N 1.319 121.176 119.914 -0.095 0.000 2.332 42 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 42 V C 1.208 177.315 176.094 0.022 0.000 1.055 42 V CA 1.296 63.563 62.300 -0.056 0.000 1.038 42 V CB -0.459 31.311 31.823 -0.090 0.000 0.651 42 V HN 0.309 nan 8.190 nan 0.000 0.450 46 S N 2.143 117.845 115.700 0.004 0.000 2.383 46 S HA -0.056 4.414 4.470 -0.000 0.000 0.229 46 S C 0.656 175.256 174.600 -0.000 0.000 1.030 46 S CA 1.705 59.903 58.200 -0.003 0.000 1.002 46 S CB -0.340 62.855 63.200 -0.008 0.000 0.829 46 S HN 0.621 nan 8.310 nan 0.000 0.467 47 N N -0.495 118.209 118.700 0.007 0.000 2.571 47 N HA 0.248 4.988 4.740 -0.000 0.000 0.286 47 N C -3.295 172.224 175.510 0.015 0.000 1.138 47 N CA -1.552 51.503 53.050 0.008 0.000 0.859 47 N CB 1.445 39.936 38.487 0.006 0.000 1.414 47 N HN -0.188 nan 8.380 nan 0.000 0.529 48 P HA -0.095 nan 4.420 nan 0.000 0.224 48 P C 0.493 177.806 177.300 0.022 0.000 1.142 48 P CA 1.143 64.255 63.100 0.020 0.000 0.778 48 P CB 0.316 32.026 31.700 0.017 0.000 0.764 49 E N -0.837 119.373 120.200 0.018 0.000 2.418 49 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 49 E C 1.376 177.989 176.600 0.021 0.000 1.026 49 E CA 0.485 56.896 56.400 0.018 0.000 0.862 49 E CB -0.335 29.374 29.700 0.014 0.000 0.799 49 E HN 0.364 nan 8.360 nan 0.000 0.518 50 L N 0.185 121.423 121.223 0.024 0.000 2.567 50 L HA 0.086 4.426 4.340 -0.000 0.000 0.225 50 L C 2.075 178.966 176.870 0.035 0.000 1.119 50 L CA 0.047 54.904 54.840 0.028 0.000 0.871 50 L CB 0.066 42.143 42.059 0.029 0.000 1.036 50 L HN -0.064 nan 8.230 nan 0.000 0.459 51 K N 1.312 121.733 120.400 0.036 0.000 2.103 51 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 51 K C 1.271 177.899 176.600 0.047 0.000 1.048 51 K CA 1.532 57.846 56.287 0.045 0.000 0.930 51 K CB -0.037 32.489 32.500 0.044 0.000 0.716 51 K HN 0.380 nan 8.250 nan 0.000 0.444 52 D N -1.072 119.351 120.400 0.039 0.000 2.424 52 D HA 0.056 4.696 4.640 -0.000 0.000 0.220 52 D C -0.424 175.897 176.300 0.034 0.000 1.150 52 D CA -0.114 53.908 54.000 0.037 0.000 0.831 52 D CB 0.166 40.985 40.800 0.032 0.000 0.981 52 D HN -0.000 nan 8.370 nan 0.000 0.500 53 K N 0.978 121.398 120.400 0.034 0.000 2.281 53 K HA 0.457 4.777 4.320 -0.000 0.000 0.242 53 K C -2.761 173.857 176.600 0.031 0.000 0.971 53 K CA -2.188 54.116 56.287 0.029 0.000 0.834 53 K CB 2.125 34.640 32.500 0.025 0.000 1.181 53 K HN -0.107 nan 8.250 nan 0.000 0.435 54 P HA 0.069 nan 4.420 nan 0.000 0.271 54 P C -1.188 176.122 177.300 0.018 0.000 1.220 54 P CA -0.266 62.847 63.100 0.020 0.000 0.768 54 P CB 0.602 32.311 31.700 0.015 0.000 0.848 55 L N 3.602 124.834 121.223 0.015 0.000 2.385 55 L HA 0.808 5.147 4.340 -0.000 0.000 0.273 55 L C -0.367 176.506 176.870 0.005 0.000 0.990 55 L CA -0.285 54.564 54.840 0.016 0.000 0.821 55 L CB 2.030 44.104 42.059 0.025 0.000 1.279 55 L HN 0.499 nan 8.230 nan 0.000 0.412 56 G N 3.562 112.367 108.800 0.009 0.000 2.482 56 G HA2 0.621 4.581 3.960 -0.000 0.000 0.317 56 G HA3 0.621 4.581 3.960 -0.000 0.000 0.317 56 G C -1.673 173.241 174.900 0.023 0.000 1.241 56 G CA -0.593 44.509 45.100 0.004 0.000 0.967 56 G HN 0.477 nan 8.290 nan 0.000 0.482 57 V N 1.459 121.390 119.914 0.029 0.000 2.370 57 V HA 0.406 4.526 4.120 -0.000 0.000 0.283 57 V C 0.086 176.216 176.094 0.060 0.000 1.023 57 V CA -0.593 61.747 62.300 0.067 0.000 0.857 57 V CB 1.226 33.115 31.823 0.110 0.000 0.985 57 V HN 0.802 nan 8.190 nan 0.000 0.443 58 Q N 4.053 123.888 119.800 0.059 0.000 2.293 58 Q HA 0.526 4.866 4.340 -0.000 0.000 0.261 58 Q C -1.056 174.968 176.000 0.041 0.000 0.960 58 Q CA -0.603 55.221 55.803 0.036 0.000 0.882 58 Q CB 1.642 30.399 28.738 0.033 0.000 1.275 58 Q HN 0.744 nan 8.270 nan 0.000 0.445 59 Q N 3.650 123.454 119.800 0.007 0.000 2.327 59 Q HA 0.278 4.618 4.340 -0.000 0.000 0.270 59 Q C -0.474 175.486 176.000 -0.068 0.000 1.022 59 Q CA -0.824 54.975 55.803 -0.007 0.000 0.773 59 Q CB 1.664 30.403 28.738 0.001 0.000 1.251 59 Q HN 0.649 nan 8.270 nan 0.000 0.457 60 K N 0.196 120.589 120.400 -0.011 0.000 1.902 60 K HA -0.304 4.016 4.320 -0.000 0.000 0.144 60 K C 0.881 177.520 176.600 0.064 0.000 0.912 60 K CA 2.540 58.846 56.287 0.032 0.000 0.315 60 K CB -1.538 30.968 32.500 0.009 0.000 0.723 60 K HN 0.943 nan 8.250 nan 0.000 0.785 61 Y N 0.811 121.124 120.300 0.022 0.000 2.524 61 Y HA 0.607 5.156 4.550 -0.000 0.000 0.266 61 Y C 0.594 176.500 175.900 0.010 0.000 1.180 61 Y CA -0.657 57.453 58.100 0.016 0.000 1.244 61 Y CB 0.237 38.706 38.460 0.014 0.000 1.125 61 Y HN 0.155 nan 8.280 nan 0.000 0.524 62 L N 1.366 122.434 121.223 -0.257 0.000 2.334 62 L HA 0.513 4.852 4.340 -0.000 0.000 0.276 62 L C -0.581 176.245 176.870 -0.073 0.000 1.014 62 L CA -1.519 53.218 54.840 -0.171 0.000 0.815 62 L CB 2.406 44.301 42.059 -0.273 0.000 1.268 62 L HN -0.160 nan 8.230 nan 0.000 0.428 63 V N 3.780 123.671 119.914 -0.039 0.000 2.338 63 V HA -0.003 4.117 4.120 -0.000 0.000 0.255 63 V C 1.166 177.231 176.094 -0.049 0.000 1.082 63 V CA -0.224 62.060 62.300 -0.028 0.000 0.951 63 V CB 0.849 32.660 31.823 -0.019 0.000 1.102 63 V HN 0.739 nan 8.190 nan 0.000 0.489 64 V N 1.877 121.766 119.914 -0.041 0.000 2.453 64 V HA 0.059 4.179 4.120 -0.000 0.000 0.247 64 V C 0.864 176.895 176.094 -0.105 0.000 1.048 64 V CA 1.839 64.099 62.300 -0.067 0.000 1.049 64 V CB -0.005 31.801 31.823 -0.028 0.000 0.672 64 V HN 0.749 nan 8.190 nan 0.000 0.457 65 T N -0.618 113.884 114.554 -0.087 0.000 2.787 65 T HA 0.674 5.024 4.350 -0.000 0.000 0.297 65 T C -1.232 173.420 174.700 -0.079 0.000 1.221 65 T CA 0.067 62.097 62.100 -0.117 0.000 1.006 65 T CB 1.497 70.254 68.868 -0.184 0.000 1.328 65 T HN 1.112 nan 8.240 nan 0.000 0.509 66 C N 2.309 121.546 119.300 -0.106 0.000 3.239 66 C HA 0.854 5.314 4.460 -0.000 0.000 0.317 66 C C -0.200 174.717 174.990 -0.122 0.000 1.310 66 C CA -1.296 57.670 59.018 -0.086 0.000 1.371 66 C CB 0.448 28.139 27.740 -0.082 0.000 1.714 66 C HN 1.053 nan 8.230 nan 0.000 0.473 67 N N 0.054 118.717 118.700 -0.062 0.000 2.347 67 N HA 0.190 4.930 4.740 -0.000 0.000 0.253 67 N C 0.222 175.682 175.510 -0.083 0.000 1.274 67 N CA -0.224 52.813 53.050 -0.023 0.000 0.941 67 N CB 0.110 38.634 38.487 0.060 0.000 1.200 67 N HN 0.769 nan 8.380 nan 0.000 0.514 68 Y N -1.220 119.091 120.300 0.019 0.000 2.352 68 Y HA -0.090 4.460 4.550 -0.000 0.000 0.292 68 Y C 2.434 178.343 175.900 0.016 0.000 1.136 68 Y CA 1.469 59.580 58.100 0.017 0.000 1.227 68 Y CB -0.188 38.285 38.460 0.022 0.000 0.991 68 Y HN 0.741 nan 8.280 nan 0.000 0.545 69 E N 0.062 120.334 120.200 0.120 0.000 2.072 69 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 69 E C 2.341 178.960 176.600 0.032 0.000 0.985 69 E CA 0.957 57.400 56.400 0.072 0.000 0.801 69 E CB -0.149 29.588 29.700 0.061 0.000 0.750 69 E HN 0.403 nan 8.360 nan 0.000 0.452 70 A N 1.176 124.000 122.820 0.007 0.000 1.933 70 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 70 A C 2.123 179.687 177.584 -0.034 0.000 1.175 70 A CA 1.298 53.325 52.037 -0.015 0.000 0.628 70 A CB -0.397 18.586 19.000 -0.028 0.000 0.814 70 A HN 0.174 nan 8.150 nan 0.000 0.444 71 R N -0.144 120.316 120.500 -0.066 0.000 2.081 71 R HA -0.112 4.227 4.340 -0.000 0.000 0.235 71 R C 2.169 178.458 176.300 -0.019 0.000 1.131 71 R CA 1.653 57.704 56.100 -0.081 0.000 0.960 71 R CB -0.298 29.894 30.300 -0.180 0.000 0.856 71 R HN 0.509 nan 8.270 nan 0.000 0.436 72 K N 0.712 121.122 120.400 0.018 0.000 2.074 72 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 72 K C 1.666 178.275 176.600 0.016 0.000 1.048 72 K CA 1.239 57.545 56.287 0.031 0.000 0.926 72 K CB -0.174 32.355 32.500 0.048 0.000 0.713 72 K HN 0.163 nan 8.250 nan 0.000 0.444 73 L N 0.053 121.282 121.223 0.010 0.000 2.660 73 L HA 0.094 4.434 4.340 -0.000 0.000 0.238 73 L C 1.007 177.877 176.870 -0.001 0.000 1.161 73 L CA 0.291 55.135 54.840 0.007 0.000 0.937 73 L CB -0.177 41.887 42.059 0.008 0.000 1.122 73 L HN 0.497 nan 8.230 nan 0.000 0.435 74 G N -0.638 108.158 108.800 -0.006 0.000 2.175 74 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.244 74 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.244 74 G C 0.240 175.128 174.900 -0.020 0.000 0.982 74 G CA -0.070 45.024 45.100 -0.011 0.000 0.641 74 G HN 0.105 nan 8.290 nan 0.000 0.527 75 V N 1.347 121.245 119.914 -0.028 0.000 2.555 75 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 75 V C 0.653 176.713 176.094 -0.057 0.000 1.044 75 V CA 0.248 62.526 62.300 -0.036 0.000 1.026 75 V CB 1.144 32.946 31.823 -0.035 0.000 0.981 75 V HN 0.448 nan 8.190 nan 0.000 0.480 76 K N 3.738 124.106 120.400 -0.053 0.000 2.166 76 K HA 0.559 4.879 4.320 -0.000 0.000 0.245 76 K C -0.530 176.025 176.600 -0.075 0.000 0.967 76 K CA -1.011 55.236 56.287 -0.067 0.000 0.863 76 K CB 1.541 34.009 32.500 -0.052 0.000 1.107 76 K HN 0.437 nan 8.250 nan 0.000 0.436 77 K N 2.054 122.399 120.400 -0.092 0.000 2.489 77 K HA 0.065 4.385 4.320 -0.000 0.000 0.278 77 K C -0.079 176.472 176.600 -0.081 0.000 1.000 77 K CA 0.073 56.302 56.287 -0.098 0.000 1.012 77 K CB -0.153 32.282 32.500 -0.109 0.000 0.903 77 K HN 0.451 nan 8.250 nan 0.000 0.485 81 V N 1.652 121.625 119.914 0.098 0.000 2.469 81 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 81 V C 2.270 178.395 176.094 0.052 0.000 1.064 81 V CA 1.140 63.481 62.300 0.068 0.000 1.066 81 V CB -0.461 31.410 31.823 0.080 0.000 0.667 81 V HN 0.564 nan 8.190 nan 0.000 0.461 82 R N 0.788 121.321 120.500 0.055 0.000 2.091 82 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 82 R C 2.089 178.403 176.300 0.023 0.000 1.136 82 R CA 1.925 58.044 56.100 0.032 0.000 0.959 82 R CB -1.056 29.258 30.300 0.024 0.000 0.856 82 R HN 0.630 nan 8.270 nan 0.000 0.437 83 D N 0.444 120.858 120.400 0.024 0.000 2.117 83 D HA -0.051 4.588 4.640 -0.000 0.000 0.198 83 D C 1.793 178.100 176.300 0.011 0.000 0.982 83 D CA 1.391 55.400 54.000 0.014 0.000 0.828 83 D CB -0.132 40.675 40.800 0.012 0.000 0.967 83 D HN 0.159 nan 8.370 nan 0.000 0.464 84 A N 1.583 124.410 122.820 0.013 0.000 1.972 84 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 84 A C 2.027 179.616 177.584 0.009 0.000 1.169 84 A CA 2.239 54.280 52.037 0.007 0.000 0.635 84 A CB -0.400 18.604 19.000 0.006 0.000 0.810 84 A HN 0.337 nan 8.150 nan 0.000 0.446 85 K N 0.037 120.446 120.400 0.014 0.000 2.228 85 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 85 K C 1.489 178.095 176.600 0.010 0.000 1.051 85 K CA 1.428 57.722 56.287 0.013 0.000 0.960 85 K CB -0.217 32.293 32.500 0.016 0.000 0.743 85 K HN 0.504 nan 8.250 nan 0.000 0.458 86 E N 0.946 121.152 120.200 0.009 0.000 2.028 86 E HA -0.166 4.183 4.350 -0.000 0.000 0.191 86 E C 1.864 178.467 176.600 0.006 0.000 0.988 86 E CA 1.219 57.623 56.400 0.007 0.000 0.799 86 E CB -0.021 29.683 29.700 0.006 0.000 0.755 86 E HN 0.150 nan 8.360 nan 0.000 0.447 87 K N 0.176 120.578 120.400 0.004 0.000 2.155 87 K HA -0.025 4.295 4.320 -0.000 0.000 0.203 87 K C 0.007 176.610 176.600 0.004 0.000 1.052 87 K CA 0.697 56.985 56.287 0.003 0.000 0.948 87 K CB 0.049 32.549 32.500 0.000 0.000 0.728 87 K HN 0.174 nan 8.250 nan 0.000 0.448 88 C N 1.975 121.278 119.300 0.004 0.000 3.418 88 C HA 0.465 4.924 4.460 -0.000 0.000 0.238 88 C C -1.987 173.008 174.990 0.008 0.000 1.205 88 C CA -1.893 57.128 59.018 0.005 0.000 1.376 88 C CB 0.725 28.467 27.740 0.003 0.000 1.826 88 C HN 0.316 nan 8.230 nan 0.000 0.513 89 P HA -0.145 nan 4.420 nan 0.000 0.218 89 P C 0.848 178.154 177.300 0.010 0.000 1.148 89 P CA 1.566 64.672 63.100 0.009 0.000 0.822 89 P CB 0.176 31.881 31.700 0.009 0.000 0.784 90 Q N -0.804 119.002 119.800 0.010 0.000 2.365 90 Q HA 0.149 4.488 4.340 -0.000 0.000 0.203 90 Q C 0.550 176.558 176.000 0.012 0.000 0.929 90 Q CA -0.151 55.659 55.803 0.011 0.000 0.948 90 Q CB -0.892 27.853 28.738 0.012 0.000 1.043 90 Q HN 0.149 nan 8.270 nan 0.000 0.505 91 L N 1.332 122.562 121.223 0.011 0.000 2.513 91 L HA 0.051 4.391 4.340 -0.000 0.000 0.272 91 L C -0.560 176.319 176.870 0.014 0.000 1.187 91 L CA 0.012 54.859 54.840 0.011 0.000 0.895 91 L CB 0.558 42.622 42.059 0.008 0.000 1.147 91 L HN -0.010 nan 8.230 nan 0.000 0.483 92 V N 7.289 127.212 119.914 0.015 0.000 2.508 92 V HA 0.193 4.313 4.120 -0.000 0.000 0.281 92 V C 0.352 176.458 176.094 0.020 0.000 1.041 92 V CA -0.272 62.038 62.300 0.018 0.000 1.016 92 V CB 0.864 32.698 31.823 0.019 0.000 0.984 92 V HN 0.562 nan 8.190 nan 0.000 0.478 93 L N 5.870 127.106 121.223 0.022 0.000 2.325 93 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 93 L C -0.551 176.336 176.870 0.029 0.000 1.004 93 L CA -0.515 54.340 54.840 0.026 0.000 0.823 93 L CB 1.947 44.021 42.059 0.026 0.000 1.236 93 L HN 0.356 nan 8.230 nan 0.000 0.415 94 V N 2.737 122.674 119.914 0.038 0.000 2.513 94 V HA 0.290 4.410 4.120 -0.000 0.000 0.299 94 V C 0.065 176.191 176.094 0.054 0.000 1.035 94 V CA -0.818 61.507 62.300 0.042 0.000 0.889 94 V CB 1.964 33.817 31.823 0.049 0.000 0.988 94 V HN 0.696 nan 8.190 nan 0.000 0.440 95 N N 3.106 121.832 118.700 0.043 0.000 2.420 95 N HA 0.157 4.897 4.740 -0.000 0.000 0.262 95 N C 0.524 176.070 175.510 0.061 0.000 1.144 95 N CA 0.310 53.388 53.050 0.047 0.000 0.952 95 N CB 1.685 40.190 38.487 0.030 0.000 1.081 95 N HN 0.922 nan 8.380 nan 0.000 0.480 96 G N 2.992 111.855 108.800 0.104 0.000 4.098 96 G HA2 0.088 4.047 3.960 -0.000 0.000 0.300 96 G HA3 0.088 4.047 3.960 -0.000 0.000 0.300 96 G C 0.797 175.773 174.900 0.126 0.000 1.187 96 G CA -0.272 44.930 45.100 0.170 0.000 0.964 96 G HN 0.641 nan 8.290 nan 0.000 0.559 97 E N 0.106 120.341 120.200 0.059 0.000 2.107 97 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 97 E C 0.401 177.018 176.600 0.028 0.000 0.982 97 E CA 0.366 56.796 56.400 0.049 0.000 0.809 97 E CB 0.266 29.989 29.700 0.039 0.000 0.756 97 E HN 0.309 nan 8.360 nan 0.000 0.459 98 D N 0.455 120.840 120.400 -0.025 0.000 2.339 98 D HA 0.026 4.666 4.640 -0.000 0.000 0.241 98 D C 0.385 176.599 176.300 -0.143 0.000 1.183 98 D CA -0.011 53.954 54.000 -0.059 0.000 0.859 98 D CB 0.832 41.584 40.800 -0.080 0.000 1.067 98 D HN 0.037 nan 8.370 nan 0.000 0.484 99 L N 3.264 124.469 121.223 -0.030 0.000 2.612 99 L HA 0.018 4.358 4.340 -0.000 0.000 0.230 99 L C 2.340 179.179 176.870 -0.051 0.000 1.140 99 L CA 0.204 55.053 54.840 0.015 0.000 0.896 99 L CB -0.437 41.835 42.059 0.354 0.000 1.065 99 L HN 0.451 nan 8.230 nan 0.000 0.447 100 T N -0.974 113.511 114.554 -0.115 0.000 2.788 100 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 100 T C 2.003 176.627 174.700 -0.128 0.000 1.044 100 T CA 1.243 63.300 62.100 -0.071 0.000 1.139 100 T CB 0.005 68.839 68.868 -0.056 0.000 0.867 100 T HN 0.308 nan 8.240 nan 0.000 0.454 101 R N -0.849 119.483 120.500 -0.280 0.000 2.115 101 R HA 0.040 4.380 4.340 -0.000 0.000 0.230 101 R C 2.394 178.604 176.300 -0.151 0.000 1.111 101 R CA 1.636 57.588 56.100 -0.247 0.000 0.976 101 R CB -0.369 29.734 30.300 -0.328 0.000 0.870 101 R HN 0.619 nan 8.270 nan 0.000 0.445 102 Y N -0.239 119.996 120.300 -0.109 0.000 2.163 102 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 102 Y C 2.655 178.556 175.900 0.003 0.000 1.136 102 Y CA 0.552 58.611 58.100 -0.067 0.000 1.147 102 Y CB -0.184 38.201 38.460 -0.126 0.000 0.987 102 Y HN -0.018 nan 8.280 nan 0.000 0.509 103 R N 1.353 121.833 120.500 -0.033 0.000 2.091 103 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 103 R C 0.466 176.746 176.300 -0.032 0.000 1.136 103 R CA 1.088 56.969 56.100 -0.366 0.000 0.959 103 R CB -0.160 30.065 30.300 -0.124 0.000 0.856 103 R HN 0.425 nan 8.270 nan 0.000 0.437 107 Y N 3.149 123.421 120.300 -0.046 0.000 2.293 107 Y HA 0.146 4.696 4.550 -0.000 0.000 0.291 107 Y C 2.308 178.214 175.900 0.010 0.000 1.137 107 Y CA 1.664 59.754 58.100 -0.016 0.000 1.202 107 Y CB 0.048 38.503 38.460 -0.009 0.000 0.990 107 Y HN 0.271 nan 8.280 nan 0.000 0.537 108 K N -0.431 120.056 120.400 0.145 0.000 2.097 108 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 108 K C 1.997 178.640 176.600 0.070 0.000 1.049 108 K CA 1.533 57.882 56.287 0.104 0.000 0.933 108 K CB -0.662 31.894 32.500 0.094 0.000 0.717 108 K HN 0.192 nan 8.250 nan 0.000 0.442 109 V N 1.675 121.608 119.914 0.032 0.000 2.261 109 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 109 V C 2.320 178.405 176.094 -0.015 0.000 1.047 109 V CA 2.205 64.499 62.300 -0.010 0.000 1.015 109 V CB -0.834 30.937 31.823 -0.087 0.000 0.642 109 V HN 0.371 nan 8.190 nan 0.000 0.446 110 T N -0.410 114.119 114.554 -0.042 0.000 2.708 110 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 110 T C 1.830 176.566 174.700 0.060 0.000 1.037 110 T CA 1.797 63.887 62.100 -0.018 0.000 1.146 110 T CB -0.286 68.546 68.868 -0.059 0.000 0.865 110 T HN 0.577 nan 8.240 nan 0.000 0.435 111 E N 0.586 120.842 120.200 0.094 0.000 2.085 111 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 111 E C 2.164 178.824 176.600 0.101 0.000 0.994 111 E CA 0.795 57.258 56.400 0.104 0.000 0.801 111 E CB -0.281 29.484 29.700 0.109 0.000 0.743 111 E HN 0.358 nan 8.360 nan 0.000 0.453 112 L N 0.783 122.067 121.223 0.102 0.000 1.994 112 L HA -0.217 4.122 4.340 -0.000 0.000 0.208 112 L C 2.197 179.203 176.870 0.228 0.000 1.071 112 L CA 1.243 56.167 54.840 0.141 0.000 0.745 112 L CB -0.114 42.021 42.059 0.127 0.000 0.892 112 L HN 0.159 nan 8.230 nan 0.000 0.431 113 L N -0.482 120.838 121.223 0.162 0.000 2.079 113 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 113 L C 2.411 179.417 176.870 0.226 0.000 1.081 113 L CA 1.492 56.434 54.840 0.169 0.000 0.752 113 L CB -0.701 41.369 42.059 0.019 0.000 0.896 113 L HN 0.338 nan 8.230 nan 0.000 0.433 114 E N 0.057 120.348 120.200 0.152 0.000 2.333 114 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 114 E C 1.874 178.547 176.600 0.121 0.000 1.007 114 E CA 0.746 57.222 56.400 0.126 0.000 0.845 114 E CB -0.006 29.752 29.700 0.096 0.000 0.766 114 E HN 0.546 nan 8.360 nan 0.000 0.507 115 E N -0.392 119.887 120.200 0.131 0.000 2.347 115 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 115 E C 1.261 177.831 176.600 -0.050 0.000 1.008 115 E CA 0.475 56.890 56.400 0.025 0.000 0.852 115 E CB 0.063 29.745 29.700 -0.029 0.000 0.783 115 E HN 0.248 nan 8.360 nan 0.000 0.505 116 F N 0.949 120.910 119.950 0.020 0.000 2.104 116 F HA 0.005 4.532 4.527 -0.000 0.000 0.288 116 F C 1.146 176.959 175.800 0.021 0.000 1.107 116 F CA 0.480 58.491 58.000 0.019 0.000 1.208 116 F CB 0.139 39.150 39.000 0.018 0.000 1.033 116 F HN -0.283 nan 8.300 nan 0.000 0.478 117 S N -0.260 115.578 115.700 0.229 0.000 2.542 117 S HA 0.320 4.789 4.470 -0.000 0.000 0.293 117 S C -2.022 172.639 174.600 0.102 0.000 1.089 117 S CA -1.288 56.990 58.200 0.130 0.000 0.961 117 S CB 1.827 65.095 63.200 0.114 0.000 1.062 117 S HN -0.239 nan 8.310 nan 0.000 0.483 118 P HA -0.193 nan 4.420 nan 0.000 0.225 118 P C 0.292 177.634 177.300 0.069 0.000 1.154 118 P CA 1.535 64.673 63.100 0.062 0.000 0.933 118 P CB -0.081 31.648 31.700 0.049 0.000 0.790 119 V N -5.076 114.881 119.914 0.072 0.000 2.465 119 V HA 0.445 4.565 4.120 -0.000 0.000 0.263 119 V C -0.654 175.486 176.094 0.077 0.000 0.981 119 V CA -0.773 61.565 62.300 0.064 0.000 0.838 119 V CB 1.416 33.271 31.823 0.053 0.000 1.068 119 V HN -0.300 nan 8.190 nan 0.000 0.458 120 V N 2.828 122.790 119.914 0.081 0.000 2.531 120 V HA 0.539 4.659 4.120 -0.000 0.000 0.301 120 V C -0.207 175.946 176.094 0.098 0.000 1.034 120 V CA -0.361 61.992 62.300 0.089 0.000 0.865 120 V CB 2.090 33.956 31.823 0.071 0.000 0.995 120 V HN 0.934 nan 8.190 nan 0.000 0.424 121 E N 4.821 125.106 120.200 0.142 0.000 2.113 121 E HA 0.450 4.800 4.350 -0.000 0.000 0.273 121 E C -0.321 176.387 176.600 0.179 0.000 0.924 121 E CA -0.773 55.726 56.400 0.165 0.000 0.764 121 E CB 1.014 30.825 29.700 0.185 0.000 1.104 121 E HN 0.557 nan 8.360 nan 0.000 0.406 122 R N 3.406 123.970 120.500 0.106 0.000 2.491 122 R HA 0.281 4.620 4.340 -0.000 0.000 0.283 122 R C -0.309 176.061 176.300 0.116 0.000 1.072 122 R CA -0.112 56.020 56.100 0.053 0.000 1.048 122 R CB 0.690 30.991 30.300 0.000 0.000 0.983 122 R HN 0.492 nan 8.270 nan 0.000 0.450 123 L N 3.444 124.714 121.223 0.079 0.000 2.442 123 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 123 L C 0.115 177.015 176.870 0.050 0.000 1.000 123 L CA 0.124 55.031 54.840 0.111 0.000 0.882 123 L CB 0.808 42.991 42.059 0.207 0.000 1.207 123 L HN 0.940 nan 8.230 nan 0.000 0.443 124 G N 2.735 111.579 108.800 0.072 0.000 2.598 124 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.244 124 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.244 124 G C -0.084 174.947 174.900 0.219 0.000 1.302 124 G CA 0.303 45.451 45.100 0.080 0.000 0.903 124 G HN 0.430 nan 8.290 nan 0.000 0.575 125 F N 1.934 121.860 119.950 -0.041 0.000 2.698 125 F HA 0.235 4.761 4.527 -0.000 0.000 0.295 125 F C 2.201 177.807 175.800 -0.323 0.000 1.124 125 F CA 1.395 59.362 58.000 -0.055 0.000 1.426 125 F CB 0.219 39.357 39.000 0.230 0.000 1.120 125 F HN 0.572 nan 8.300 nan 0.000 0.583 126 D N -1.247 119.048 120.400 -0.174 0.000 2.539 126 D HA 0.044 4.684 4.640 -0.000 0.000 0.232 126 D C -0.140 175.937 176.300 -0.371 0.000 1.256 126 D CA 0.168 53.862 54.000 -0.510 0.000 0.810 126 D CB 0.000 40.425 40.800 -0.626 0.000 1.090 126 D HN 0.197 nan 8.370 nan 0.000 0.519 127 E N 0.214 120.254 120.200 -0.267 0.000 2.256 127 E HA 0.503 4.853 4.350 -0.000 0.000 0.267 127 E C -0.693 175.722 176.600 -0.309 0.000 0.892 127 E CA -0.833 55.365 56.400 -0.338 0.000 0.775 127 E CB 1.776 31.361 29.700 -0.192 0.000 1.207 127 E HN 0.018 nan 8.360 nan 0.000 0.420 128 N N 1.712 120.151 118.700 -0.434 0.000 2.264 128 N HA 0.355 5.095 4.740 -0.000 0.000 0.288 128 N C -1.494 173.795 175.510 -0.369 0.000 1.094 128 N CA -0.488 52.399 53.050 -0.272 0.000 0.817 128 N CB 1.560 39.936 38.487 -0.185 0.000 1.604 128 N HN 0.234 nan 8.380 nan 0.000 0.473 129 F N 0.619 120.576 119.950 0.013 0.000 2.450 129 F HA 0.554 5.081 4.527 -0.000 0.000 0.332 129 F C 0.407 176.213 175.800 0.009 0.000 1.093 129 F CA -0.743 57.279 58.000 0.038 0.000 1.003 129 F CB 1.539 40.577 39.000 0.062 0.000 1.151 129 F HN -0.031 nan 8.300 nan 0.000 0.474 130 V N 1.490 121.515 119.914 0.185 0.000 2.656 130 V HA 0.261 4.381 4.120 -0.000 0.000 0.307 130 V C -0.926 175.235 176.094 0.111 0.000 1.051 130 V CA -0.927 61.441 62.300 0.114 0.000 0.893 130 V CB 1.978 33.829 31.823 0.047 0.000 0.999 130 V HN 0.613 nan 8.190 nan 0.000 0.426 131 D N 3.647 124.100 120.400 0.089 0.000 2.411 131 D HA 0.300 4.940 4.640 -0.000 0.000 0.225 131 D C 0.652 176.989 176.300 0.062 0.000 1.156 131 D CA -0.068 53.972 54.000 0.068 0.000 0.874 131 D CB 1.304 42.134 40.800 0.050 0.000 1.034 131 D HN 0.508 nan 8.370 nan 0.000 0.502 132 L N 2.773 124.030 121.223 0.058 0.000 2.591 132 L HA 0.004 4.344 4.340 -0.000 0.000 0.228 132 L C 2.124 179.024 176.870 0.051 0.000 1.133 132 L CA 0.034 54.908 54.840 0.056 0.000 0.880 132 L CB -0.207 41.881 42.059 0.048 0.000 1.033 132 L HN 0.295 nan 8.230 nan 0.000 0.450 133 T N -0.607 113.973 114.554 0.044 0.000 2.624 133 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 133 T C 0.950 175.672 174.700 0.037 0.000 1.041 133 T CA 1.174 63.296 62.100 0.037 0.000 1.159 133 T CB -0.199 68.688 68.868 0.031 0.000 0.863 133 T HN 0.432 nan 8.240 nan 0.000 0.434 137 E N 1.014 121.233 120.200 0.032 0.000 2.085 137 E HA -0.303 4.046 4.350 -0.000 0.000 0.194 137 E C 1.891 178.506 176.600 0.025 0.000 0.994 137 E CA 1.957 58.373 56.400 0.027 0.000 0.801 137 E CB -0.032 29.683 29.700 0.025 0.000 0.743 137 E HN 0.500 nan 8.360 nan 0.000 0.453 138 K N 0.819 121.235 120.400 0.027 0.000 2.009 138 K HA -0.177 4.143 4.320 -0.000 0.000 0.210 138 K C 2.139 178.753 176.600 0.024 0.000 1.049 138 K CA 1.465 57.766 56.287 0.024 0.000 0.929 138 K CB 0.105 32.621 32.500 0.027 0.000 0.714 138 K HN -0.005 nan 8.250 nan 0.000 0.440 139 R N 0.343 120.860 120.500 0.029 0.000 2.115 139 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 139 R C 2.414 178.729 176.300 0.024 0.000 1.111 139 R CA 1.010 57.127 56.100 0.028 0.000 0.976 139 R CB -0.483 29.838 30.300 0.034 0.000 0.870 139 R HN 0.272 nan 8.270 nan 0.000 0.445 140 L N 1.093 122.331 121.223 0.024 0.000 2.093 140 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 140 L C 2.337 179.217 176.870 0.018 0.000 1.085 140 L CA 1.409 56.263 54.840 0.022 0.000 0.755 140 L CB -0.379 41.694 42.059 0.023 0.000 0.904 140 L HN 0.217 nan 8.230 nan 0.000 0.435 141 Q N -0.427 119.383 119.800 0.017 0.000 2.436 141 Q HA -0.200 4.140 4.340 -0.000 0.000 0.209 141 Q C 1.956 177.964 176.000 0.013 0.000 0.965 141 Q CA 0.776 56.588 55.803 0.014 0.000 0.910 141 Q CB 0.033 28.779 28.738 0.014 0.000 0.980 141 Q HN 0.546 nan 8.270 nan 0.000 0.491 142 Q N 0.372 120.180 119.800 0.014 0.000 2.392 142 Q HA 0.036 4.375 4.340 -0.000 0.000 0.203 142 Q C -0.048 175.959 176.000 0.011 0.000 0.917 142 Q CA -0.010 55.800 55.803 0.012 0.000 0.939 142 Q CB 0.301 29.047 28.738 0.013 0.000 1.063 142 Q HN 0.315 nan 8.270 nan 0.000 0.516 143 L N 3.246 124.476 121.223 0.012 0.000 2.360 143 L HA 0.173 4.513 4.340 -0.000 0.000 0.276 143 L C 0.421 177.297 176.870 0.009 0.000 1.121 143 L CA -0.379 54.468 54.840 0.011 0.000 0.845 143 L CB 0.900 42.967 42.059 0.013 0.000 1.143 143 L HN 0.157 nan 8.230 nan 0.000 0.452 144 Q N 1.308 121.113 119.800 0.008 0.000 2.317 144 Q HA 0.081 4.421 4.340 -0.000 0.000 0.229 144 Q C 1.133 177.137 176.000 0.006 0.000 0.984 144 Q CA -0.121 55.686 55.803 0.006 0.000 0.911 144 Q CB 1.243 29.984 28.738 0.006 0.000 1.217 144 Q HN 0.697 nan 8.270 nan 0.000 0.501 145 S N 1.011 116.714 115.700 0.005 0.000 2.365 145 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 145 S C 1.047 175.650 174.600 0.005 0.000 1.039 145 S CA 2.243 60.446 58.200 0.005 0.000 1.033 145 S CB -0.040 63.163 63.200 0.004 0.000 0.887 145 S HN 0.597 nan 8.310 nan 0.000 0.447 146 D N 0.272 120.675 120.400 0.004 0.000 2.178 146 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 146 D C 2.096 178.399 176.300 0.005 0.000 0.974 146 D CA 0.985 54.987 54.000 0.004 0.000 0.841 146 D CB -0.087 40.714 40.800 0.003 0.000 0.953 146 D HN 0.571 nan 8.370 nan 0.000 0.478 147 E N -0.259 119.945 120.200 0.006 0.000 2.085 147 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 147 E C 1.876 178.482 176.600 0.009 0.000 0.994 147 E CA 0.538 56.943 56.400 0.007 0.000 0.801 147 E CB -0.039 29.666 29.700 0.008 0.000 0.743 147 E HN 0.185 nan 8.360 nan 0.000 0.453 148 L N 0.960 122.189 121.223 0.010 0.000 2.056 148 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 148 L C 2.230 179.107 176.870 0.011 0.000 1.078 148 L CA 2.180 57.027 54.840 0.012 0.000 0.749 148 L CB -0.614 41.452 42.059 0.011 0.000 0.901 148 L HN 0.096 nan 8.230 nan 0.000 0.433 149 S N -0.738 114.967 115.700 0.008 0.000 2.447 149 S HA -0.014 4.456 4.470 -0.000 0.000 0.233 149 S C 1.792 176.396 174.600 0.007 0.000 1.006 149 S CA 0.638 58.843 58.200 0.007 0.000 0.957 149 S CB -0.740 62.463 63.200 0.005 0.000 0.773 149 S HN 0.491 nan 8.310 nan 0.000 0.507 150 A N 0.839 123.663 122.820 0.006 0.000 2.308 150 A HA 0.535 4.855 4.320 -0.000 0.000 0.217 150 A C 0.658 178.245 177.584 0.004 0.000 1.216 150 A CA -0.314 51.726 52.037 0.004 0.000 0.864 150 A CB -0.166 18.835 19.000 0.002 0.000 0.902 150 A HN 0.339 nan 8.150 nan 0.000 0.499 151 V N 1.280 121.199 119.914 0.009 0.000 2.540 151 V HA 0.241 4.361 4.120 -0.000 0.000 0.297 151 V C 0.675 176.774 176.094 0.008 0.000 1.024 151 V CA 0.948 63.255 62.300 0.011 0.000 1.105 151 V CB 0.714 32.548 31.823 0.019 0.000 0.938 151 V HN 0.431 nan 8.190 nan 0.000 0.482 152 T N 4.401 118.956 114.554 0.001 0.000 2.900 152 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 152 T C -0.499 174.192 174.700 -0.015 0.000 1.044 152 T CA -0.553 61.541 62.100 -0.009 0.000 0.995 152 T CB 1.587 70.445 68.868 -0.017 0.000 1.072 152 T HN 0.357 nan 8.240 nan 0.000 0.473 153 V N 3.672 123.571 119.914 -0.024 0.000 2.763 153 V HA 0.295 4.415 4.120 -0.000 0.000 0.306 153 V C 0.875 176.937 176.094 -0.054 0.000 1.059 153 V CA -0.180 62.099 62.300 -0.036 0.000 1.138 153 V CB 1.297 33.093 31.823 -0.045 0.000 0.940 153 V HN 0.905 nan 8.190 nan 0.000 0.489 154 S N 3.084 118.753 115.700 -0.053 0.000 2.429 154 S HA 0.689 5.159 4.470 -0.000 0.000 0.302 154 S C 0.313 174.854 174.600 -0.099 0.000 1.115 154 S CA 0.511 58.667 58.200 -0.073 0.000 1.095 154 S CB 0.279 63.449 63.200 -0.051 0.000 0.987 154 S HN 1.925 nan 8.310 nan 0.000 0.474 155 G N 4.276 112.973 108.800 -0.171 0.000 2.527 155 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.227 155 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.227 155 G C -0.891 173.796 174.900 -0.355 0.000 1.291 155 G CA -0.366 44.572 45.100 -0.269 0.000 0.904 155 G HN 0.918 nan 8.290 nan 0.000 0.577 156 H N -1.324 117.638 119.070 -0.179 0.000 2.482 156 H HA 0.574 5.130 4.556 -0.000 0.000 0.344 156 H C 0.269 175.559 175.328 -0.065 0.000 1.151 156 H CA -0.157 55.753 56.048 -0.230 0.000 1.300 156 H CB 1.685 31.131 29.762 -0.526 0.000 1.494 156 H HN 0.435 nan 8.280 nan 0.000 0.542 157 V N 3.122 123.088 119.914 0.086 0.000 2.394 157 V HA 0.014 4.134 4.120 -0.000 0.000 0.282 157 V C -0.457 175.735 176.094 0.164 0.000 1.031 157 V CA -0.782 61.574 62.300 0.093 0.000 0.881 157 V CB 0.398 32.232 31.823 0.019 0.000 0.982 157 V HN 0.690 nan 8.190 nan 0.000 0.451 158 Y N 5.810 126.172 120.300 0.104 0.000 2.721 158 Y HA -0.012 4.538 4.550 -0.000 0.000 0.329 158 Y C 1.283 177.213 175.900 0.050 0.000 1.211 158 Y CA 1.251 59.424 58.100 0.121 0.000 1.512 158 Y CB -0.015 38.497 38.460 0.087 0.000 1.249 158 Y HN 0.920 nan 8.280 nan 0.000 0.549 159 N N 3.225 121.470 118.700 -0.758 0.000 2.741 159 N HA -0.337 4.403 4.740 -0.000 0.000 0.251 159 N C -0.040 175.311 175.510 -0.265 0.000 1.112 159 N CA 1.260 53.926 53.050 -0.641 0.000 0.750 159 N CB -1.569 36.406 38.487 -0.853 0.000 1.119 159 N HN 0.813 nan 8.380 nan 0.000 0.561 160 N N -0.159 118.467 118.700 -0.123 0.000 2.701 160 N HA -0.295 4.444 4.740 -0.000 0.000 0.250 160 N C -0.399 175.077 175.510 -0.056 0.000 1.046 160 N CA 1.440 54.458 53.050 -0.054 0.000 0.733 160 N CB -0.700 37.766 38.487 -0.035 0.000 0.973 160 N HN 0.769 nan 8.380 nan 0.000 0.541 161 Q N -0.014 119.750 119.800 -0.060 0.000 2.315 161 Q HA 0.075 4.415 4.340 -0.000 0.000 0.289 161 Q C -0.461 175.538 176.000 -0.001 0.000 1.044 161 Q CA 0.265 56.050 55.803 -0.030 0.000 0.920 161 Q CB 0.409 29.139 28.738 -0.013 0.000 1.214 161 Q HN 0.423 nan 8.270 nan 0.000 0.392 162 S N 3.598 119.311 115.700 0.021 0.000 2.552 162 S HA 0.090 4.560 4.470 -0.000 0.000 0.289 162 S C 0.118 174.774 174.600 0.094 0.000 1.304 162 S CA -0.151 58.076 58.200 0.044 0.000 1.063 162 S CB 0.176 63.403 63.200 0.045 0.000 0.848 162 S HN 0.457 nan 8.310 nan 0.000 0.499 163 I N 3.111 123.735 120.570 0.090 0.000 2.428 163 I HA 0.212 4.382 4.170 -0.000 0.000 0.289 163 I C 0.667 176.899 176.117 0.192 0.000 1.019 163 I CA 0.056 61.456 61.300 0.165 0.000 1.351 163 I CB 0.802 38.852 38.000 0.083 0.000 1.412 163 I HN 0.616 nan 8.210 nan 0.000 0.513 164 N N 6.087 124.974 118.700 0.312 0.000 2.524 164 N HA 0.306 5.046 4.740 -0.000 0.000 0.261 164 N C 0.469 175.993 175.510 0.023 0.000 0.998 164 N CA -0.486 52.592 53.050 0.046 0.000 0.915 164 N CB 0.921 39.316 38.487 -0.152 0.000 1.187 164 N HN 0.645 nan 8.380 nan 0.000 0.507 165 L N 3.205 124.448 121.223 0.033 0.000 2.465 165 L HA 0.008 4.348 4.340 -0.000 0.000 0.224 165 L C 1.462 178.336 176.870 0.005 0.000 1.145 165 L CA 0.686 55.546 54.840 0.034 0.000 0.834 165 L CB 0.056 42.132 42.059 0.029 0.000 0.944 165 L HN 0.682 nan 8.230 nan 0.000 0.451 166 L N -1.202 120.007 121.223 -0.024 0.000 2.592 166 L HA 0.074 4.414 4.340 -0.000 0.000 0.227 166 L C 0.538 177.375 176.870 -0.054 0.000 1.127 166 L CA -0.049 54.773 54.840 -0.031 0.000 0.884 166 L CB -0.076 41.965 42.059 -0.030 0.000 1.065 166 L HN 0.086 nan 8.230 nan 0.000 0.457 167 D N 0.353 120.694 120.400 -0.099 0.000 2.316 167 D HA 0.021 4.661 4.640 -0.000 0.000 0.245 167 D C 1.028 177.308 176.300 -0.034 0.000 1.171 167 D CA 0.087 54.003 54.000 -0.139 0.000 0.856 167 D CB 2.141 42.686 40.800 -0.424 0.000 1.090 167 D HN -0.190 nan 8.370 nan 0.000 0.476 168 V N 5.344 125.253 119.914 -0.010 0.000 2.324 168 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 168 V C 2.214 178.342 176.094 0.056 0.000 1.060 168 V CA 1.780 64.093 62.300 0.022 0.000 1.042 168 V CB -0.273 31.559 31.823 0.015 0.000 0.650 168 V HN 0.622 nan 8.190 nan 0.000 0.450 169 L N -1.134 120.134 121.223 0.076 0.000 2.056 169 L HA -0.152 4.187 4.340 -0.000 0.000 0.207 169 L C 2.553 179.538 176.870 0.193 0.000 1.078 169 L CA 1.758 56.672 54.840 0.124 0.000 0.749 169 L CB -0.961 41.181 42.059 0.139 0.000 0.901 169 L HN 0.378 nan 8.230 nan 0.000 0.433 170 H N -0.522 118.561 119.070 0.021 0.000 2.321 170 H HA -0.175 4.380 4.556 -0.000 0.000 0.300 170 H C 1.988 177.328 175.328 0.020 0.000 1.087 170 H CA 1.678 57.739 56.048 0.023 0.000 1.319 170 H CB -0.275 29.499 29.762 0.020 0.000 1.379 170 H HN 0.152 nan 8.280 nan 0.000 0.501 171 I N 1.170 121.833 120.570 0.154 0.000 2.163 171 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 171 I C 2.049 178.203 176.117 0.063 0.000 1.085 171 I CA 1.462 62.813 61.300 0.085 0.000 1.347 171 I CB -0.181 37.854 38.000 0.058 0.000 1.044 171 I HN 0.114 nan 8.210 nan 0.000 0.408 172 R N 0.387 120.924 120.500 0.062 0.000 2.081 172 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 172 R C 2.317 178.643 176.300 0.042 0.000 1.131 172 R CA 1.637 57.765 56.100 0.048 0.000 0.960 172 R CB -1.280 29.048 30.300 0.046 0.000 0.856 172 R HN 0.402 nan 8.270 nan 0.000 0.436 173 L N 0.861 122.110 121.223 0.044 0.000 2.141 173 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 173 L C 2.560 179.440 176.870 0.016 0.000 1.094 173 L CA 0.863 55.718 54.840 0.025 0.000 0.763 173 L CB -0.378 41.685 42.059 0.007 0.000 0.908 173 L HN 0.103 nan 8.230 nan 0.000 0.437 174 L N -1.158 120.077 121.223 0.020 0.000 2.056 174 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 174 L C 2.501 179.380 176.870 0.015 0.000 1.078 174 L CA 0.844 55.691 54.840 0.013 0.000 0.749 174 L CB -0.510 41.561 42.059 0.020 0.000 0.901 174 L HN 0.091 nan 8.230 nan 0.000 0.433 175 V N 0.287 120.215 119.914 0.024 0.000 2.427 175 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 175 V C 2.684 178.793 176.094 0.024 0.000 1.051 175 V CA 1.802 64.117 62.300 0.025 0.000 1.048 175 V CB -1.242 30.599 31.823 0.031 0.000 0.666 175 V HN 0.561 nan 8.190 nan 0.000 0.456 176 G N 0.604 109.418 108.800 0.024 0.000 2.513 176 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.219 176 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.219 176 G C 1.906 176.811 174.900 0.007 0.000 1.160 176 G CA 1.700 46.813 45.100 0.020 0.000 0.767 176 G HN 0.656 nan 8.290 nan 0.000 0.571 177 S N 0.159 115.862 115.700 0.005 0.000 2.382 177 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 177 S C 2.242 176.834 174.600 -0.013 0.000 1.027 177 S CA 1.745 59.942 58.200 -0.006 0.000 0.991 177 S CB -0.437 62.758 63.200 -0.007 0.000 0.823 177 S HN 0.576 nan 8.310 nan 0.000 0.469 178 Q N 0.702 120.500 119.800 -0.003 0.000 2.084 178 Q HA 0.035 4.374 4.340 -0.000 0.000 0.202 178 Q C 2.286 178.292 176.000 0.010 0.000 0.978 178 Q CA 1.745 57.550 55.803 0.003 0.000 0.844 178 Q CB -0.459 28.287 28.738 0.013 0.000 0.898 178 Q HN 0.639 nan 8.270 nan 0.000 0.426 179 I N 0.644 121.222 120.570 0.014 0.000 2.179 179 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 179 I C 2.468 178.537 176.117 -0.080 0.000 1.088 179 I CA 0.966 62.274 61.300 0.013 0.000 1.357 179 I CB -0.489 37.532 38.000 0.036 0.000 1.051 179 I HN 0.157 nan 8.210 nan 0.000 0.409 180 A N 0.886 123.656 122.820 -0.084 0.000 1.940 180 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 180 A C 2.548 180.062 177.584 -0.116 0.000 1.176 180 A CA 2.038 54.001 52.037 -0.124 0.000 0.631 180 A CB -0.878 18.078 19.000 -0.074 0.000 0.814 180 A HN 0.457 nan 8.150 nan 0.000 0.446 181 A N -0.210 122.570 122.820 -0.066 0.000 1.902 181 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 181 A C 1.270 178.835 177.584 -0.031 0.000 1.181 181 A CA 1.245 53.253 52.037 -0.048 0.000 0.623 181 A CB -0.381 18.599 19.000 -0.034 0.000 0.818 181 A HN 0.678 nan 8.150 nan 0.000 0.443 185 E N 1.976 122.202 120.200 0.044 0.000 2.058 185 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 185 E C 0.988 177.681 176.600 0.154 0.000 0.997 185 E CA 1.414 57.872 56.400 0.098 0.000 0.801 185 E CB -0.030 29.720 29.700 0.084 0.000 0.746 185 E HN 0.318 nan 8.360 nan 0.000 0.450 189 N N 1.043 119.821 118.700 0.130 0.000 2.120 189 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 189 N C 1.284 176.786 175.510 -0.013 0.000 1.024 189 N CA 2.199 55.283 53.050 0.056 0.000 0.852 189 N CB -0.144 38.405 38.487 0.103 0.000 1.003 189 N HN 0.643 nan 8.380 nan 0.000 0.424 190 Q N -0.651 119.157 119.800 0.013 0.000 2.297 190 Q HA 0.225 4.564 4.340 -0.000 0.000 0.203 190 Q C 1.365 177.359 176.000 -0.010 0.000 0.931 190 Q CA 0.527 56.337 55.803 0.011 0.000 0.885 190 Q CB 0.567 29.332 28.738 0.044 0.000 0.991 190 Q HN 0.302 nan 8.270 nan 0.000 0.498 191 L N -1.981 119.230 121.223 -0.021 0.000 2.878 191 L HA 0.357 4.697 4.340 -0.000 0.000 0.253 191 L C 0.960 177.790 176.870 -0.068 0.000 1.135 191 L CA 0.268 55.100 54.840 -0.013 0.000 0.943 191 L CB 0.787 42.871 42.059 0.041 0.000 1.307 191 L HN 0.286 nan 8.230 nan 0.000 0.545 192 G N 1.529 110.211 108.800 -0.197 0.000 2.153 192 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 192 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 192 G C 0.027 174.826 174.900 -0.167 0.000 0.994 192 G CA 0.089 44.962 45.100 -0.379 0.000 0.698 192 G HN 0.198 nan 8.290 nan 0.000 0.521 193 L N 0.461 121.681 121.223 -0.005 0.000 2.325 193 L HA 0.620 4.960 4.340 -0.000 0.000 0.279 193 L C 0.557 177.572 176.870 0.242 0.000 1.054 193 L CA -0.551 54.371 54.840 0.136 0.000 0.804 193 L CB 1.884 44.034 42.059 0.152 0.000 1.200 193 L HN 0.109 nan 8.230 nan 0.000 0.436 194 T N 1.612 116.305 114.554 0.231 0.000 2.859 194 T HA 0.760 5.110 4.350 -0.000 0.000 0.281 194 T C -0.042 174.721 174.700 0.105 0.000 1.005 194 T CA -0.437 61.774 62.100 0.185 0.000 1.025 194 T CB 1.700 70.671 68.868 0.172 0.000 0.977 194 T HN 0.821 nan 8.240 nan 0.000 0.458 195 G N 0.640 109.469 108.800 0.047 0.000 2.608 195 G HA2 0.511 4.471 3.960 -0.000 0.000 0.291 195 G HA3 0.511 4.471 3.960 -0.000 0.000 0.291 195 G C -1.258 173.631 174.900 -0.018 0.000 1.425 195 G CA -0.476 44.628 45.100 0.008 0.000 0.787 195 G HN 0.869 nan 8.290 nan 0.000 0.484 196 C N -0.151 119.131 119.300 -0.030 0.000 2.365 196 C HA 0.960 5.420 4.460 -0.000 0.000 0.349 196 C C 0.775 175.735 174.990 -0.051 0.000 1.191 196 C CA 0.211 59.220 59.018 -0.014 0.000 2.114 196 C CB 0.717 28.470 27.740 0.023 0.000 2.367 196 C HN 1.131 nan 8.230 nan 0.000 0.530 197 A N 1.077 123.888 122.820 -0.015 0.000 2.454 197 A HA 0.927 5.247 4.320 -0.000 0.000 0.302 197 A C -0.460 177.149 177.584 0.042 0.000 1.079 197 A CA -0.267 51.754 52.037 -0.027 0.000 0.731 197 A CB 1.340 20.306 19.000 -0.057 0.000 1.299 197 A HN 1.249 nan 8.150 nan 0.000 0.413 198 G N -0.262 108.575 108.800 0.063 0.000 2.617 198 G HA2 0.581 4.541 3.960 -0.000 0.000 0.306 198 G HA3 0.581 4.541 3.960 -0.000 0.000 0.306 198 G C -1.496 173.450 174.900 0.077 0.000 1.360 198 G CA -0.427 44.725 45.100 0.087 0.000 0.983 198 G HN 0.936 nan 8.290 nan 0.000 0.496 199 V N 0.951 120.902 119.914 0.062 0.000 2.487 199 V HA 0.898 5.018 4.120 -0.000 0.000 0.298 199 V C 0.325 176.446 176.094 0.046 0.000 1.028 199 V CA 0.030 62.361 62.300 0.052 0.000 0.860 199 V CB 0.823 32.666 31.823 0.034 0.000 0.991 199 V HN 1.358 nan 8.190 nan 0.000 0.427 200 A N 3.180 126.030 122.820 0.049 0.000 2.493 200 A HA 0.684 5.004 4.320 -0.000 0.000 0.300 200 A C 0.607 178.212 177.584 0.035 0.000 1.152 200 A CA 0.249 52.306 52.037 0.034 0.000 0.643 200 A CB 0.949 19.962 19.000 0.020 0.000 1.316 200 A HN 1.082 nan 8.150 nan 0.000 0.469 201 S N -0.199 115.515 115.700 0.025 0.000 2.562 201 S HA 0.119 4.589 4.470 -0.000 0.000 0.221 201 S C 0.434 175.043 174.600 0.014 0.000 0.975 201 S CA 0.732 58.945 58.200 0.023 0.000 0.918 201 S CB -0.833 62.380 63.200 0.023 0.000 0.772 201 S HN 1.164 nan 8.310 nan 0.000 0.531 202 N N -0.646 118.060 118.700 0.010 0.000 2.825 202 N HA 0.294 5.034 4.740 -0.000 0.000 0.253 202 N C -0.375 175.127 175.510 -0.014 0.000 1.426 202 N CA -0.964 52.078 53.050 -0.014 0.000 0.851 202 N CB 0.981 39.451 38.487 -0.029 0.000 1.470 202 N HN -0.193 nan 8.380 nan 0.000 0.517 203 K N -0.272 120.071 120.400 -0.095 0.000 2.057 203 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 203 K C 1.871 178.445 176.600 -0.044 0.000 1.049 203 K CA 1.294 57.475 56.287 -0.177 0.000 0.931 203 K CB -0.325 31.783 32.500 -0.654 0.000 0.714 203 K HN 0.410 nan 8.250 nan 0.000 0.440 204 L N 1.459 122.634 121.223 -0.079 0.000 1.989 204 L HA -0.187 4.152 4.340 -0.000 0.000 0.211 204 L C 1.813 178.662 176.870 -0.035 0.000 1.071 204 L CA 1.738 56.547 54.840 -0.052 0.000 0.749 204 L CB -0.494 41.531 42.059 -0.056 0.000 0.890 204 L HN 0.131 nan 8.230 nan 0.000 0.431 205 L N -0.535 120.670 121.223 -0.030 0.000 2.093 205 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 205 L C 2.720 179.577 176.870 -0.021 0.000 1.085 205 L CA 1.076 55.891 54.840 -0.042 0.000 0.755 205 L CB -1.035 41.004 42.059 -0.034 0.000 0.904 205 L HN 0.424 nan 8.230 nan 0.000 0.435 206 A N 0.331 123.176 122.820 0.042 0.000 1.908 206 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 206 A C 2.410 180.019 177.584 0.042 0.000 1.181 206 A CA 2.134 54.228 52.037 0.095 0.000 0.627 206 A CB -0.442 18.683 19.000 0.208 0.000 0.818 206 A HN 0.341 nan 8.150 nan 0.000 0.445 207 K N -0.395 119.974 120.400 -0.051 0.000 2.057 207 K HA -0.009 4.310 4.320 -0.000 0.000 0.206 207 K C 1.908 178.381 176.600 -0.211 0.000 1.050 207 K CA 1.188 57.221 56.287 -0.423 0.000 0.935 207 K CB -0.297 31.963 32.500 -0.400 0.000 0.715 207 K HN 0.461 nan 8.250 nan 0.000 0.439 208 L N 0.354 121.503 121.223 -0.124 0.000 2.046 208 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 208 L C 2.416 179.223 176.870 -0.106 0.000 1.077 208 L CA 0.871 55.644 54.840 -0.112 0.000 0.747 208 L CB -0.331 41.654 42.059 -0.124 0.000 0.896 208 L HN 0.122 nan 8.230 nan 0.000 0.432 209 V N -0.523 119.334 119.914 -0.095 0.000 2.719 209 V HA -0.179 3.940 4.120 -0.000 0.000 0.252 209 V C 2.617 178.727 176.094 0.026 0.000 1.065 209 V CA 1.638 63.891 62.300 -0.078 0.000 1.086 209 V CB 0.155 31.932 31.823 -0.077 0.000 0.700 209 V HN 0.650 nan 8.190 nan 0.000 0.467 210 S N 0.165 115.900 115.700 0.058 0.000 2.419 210 S HA -0.064 4.405 4.470 -0.000 0.000 0.233 210 S C 1.893 176.549 174.600 0.094 0.000 1.016 210 S CA 1.299 59.568 58.200 0.114 0.000 0.974 210 S CB -0.658 62.675 63.200 0.221 0.000 0.786 210 S HN 0.621 nan 8.310 nan 0.000 0.492 211 G N 0.557 109.389 108.800 0.052 0.000 2.920 211 G HA2 0.167 4.127 3.960 -0.000 0.000 0.208 211 G HA3 0.167 4.127 3.960 -0.000 0.000 0.208 211 G C 1.173 176.067 174.900 -0.010 0.000 1.159 211 G CA 0.419 45.537 45.100 0.030 0.000 0.784 211 G HN 0.448 nan 8.290 nan 0.000 0.535 212 V N 0.091 119.993 119.914 -0.021 0.000 2.307 212 V HA 0.076 4.196 4.120 -0.000 0.000 0.245 212 V C 0.688 176.532 176.094 -0.416 0.000 1.045 212 V CA 1.033 63.232 62.300 -0.169 0.000 1.024 212 V CB -0.450 31.331 31.823 -0.071 0.000 0.651 212 V HN 0.246 nan 8.190 nan 0.000 0.449 213 F N 1.474 121.400 119.950 -0.041 0.000 2.402 213 F HA 0.570 5.097 4.527 -0.000 0.000 0.355 213 F C 0.173 175.950 175.800 -0.039 0.000 1.123 213 F CA -0.730 57.209 58.000 -0.102 0.000 1.021 213 F CB 0.992 39.823 39.000 -0.281 0.000 1.160 213 F HN 0.086 nan 8.300 nan 0.000 0.451 214 K N 3.311 123.762 120.400 0.086 0.000 2.536 214 K HA 0.692 5.012 4.320 -0.000 0.000 0.269 214 K C -3.320 173.232 176.600 -0.080 0.000 0.965 214 K CA -1.910 54.391 56.287 0.024 0.000 0.860 214 K CB 2.187 34.725 32.500 0.063 0.000 1.423 214 K HN 0.192 nan 8.250 nan 0.000 0.438 215 P HA 0.098 nan 4.420 nan 0.000 0.278 215 P C -0.614 176.592 177.300 -0.156 0.000 1.266 215 P CA -0.259 62.634 63.100 -0.345 0.000 0.807 215 P CB 0.394 31.577 31.700 -0.863 0.000 1.094 216 N N -0.481 118.165 118.700 -0.090 0.000 2.725 216 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 216 N C -0.727 174.767 175.510 -0.025 0.000 1.031 216 N CA 0.409 53.426 53.050 -0.056 0.000 0.720 216 N CB -0.447 37.990 38.487 -0.083 0.000 0.930 216 N HN 0.514 nan 8.380 nan 0.000 0.543 217 Q N -0.212 119.604 119.800 0.025 0.000 2.605 217 Q HA 0.470 4.810 4.340 -0.000 0.000 0.296 217 Q C -1.172 174.887 176.000 0.099 0.000 1.056 217 Q CA -0.804 55.047 55.803 0.081 0.000 0.778 217 Q CB 1.756 30.607 28.738 0.187 0.000 1.497 217 Q HN 0.426 nan 8.270 nan 0.000 0.443 218 Q N -0.672 119.205 119.800 0.129 0.000 2.416 218 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 218 Q C -1.451 174.660 176.000 0.185 0.000 1.067 218 Q CA -0.840 55.033 55.803 0.117 0.000 0.809 218 Q CB 2.428 31.186 28.738 0.034 0.000 1.418 218 Q HN 0.468 nan 8.270 nan 0.000 0.411 219 T N 0.920 115.583 114.554 0.181 0.000 2.912 219 T HA 0.494 4.844 4.350 -0.000 0.000 0.299 219 T C -1.376 173.410 174.700 0.142 0.000 1.052 219 T CA -0.689 61.547 62.100 0.226 0.000 0.996 219 T CB 1.899 70.970 68.868 0.339 0.000 1.070 219 T HN 0.522 nan 8.240 nan 0.000 0.465 220 V N 3.670 123.659 119.914 0.124 0.000 2.513 220 V HA 0.763 4.883 4.120 -0.000 0.000 0.299 220 V C -1.109 175.043 176.094 0.097 0.000 1.035 220 V CA -1.004 61.343 62.300 0.078 0.000 0.889 220 V CB 1.470 33.312 31.823 0.032 0.000 0.988 220 V HN 0.773 nan 8.190 nan 0.000 0.440 221 L N 7.405 128.663 121.223 0.059 0.000 2.276 221 L HA 0.559 4.898 4.340 -0.000 0.000 0.286 221 L C -0.507 176.370 176.870 0.012 0.000 1.024 221 L CA 0.138 55.011 54.840 0.055 0.000 0.826 221 L CB 0.955 43.008 42.059 -0.011 0.000 1.211 221 L HN 0.641 nan 8.230 nan 0.000 0.422 222 L N 6.878 128.094 121.223 -0.012 0.000 2.418 222 L HA 0.359 4.699 4.340 -0.000 0.000 0.265 222 L C -1.325 175.552 176.870 0.011 0.000 1.143 222 L CA -1.592 53.183 54.840 -0.108 0.000 0.809 222 L CB 0.454 42.305 42.059 -0.348 0.000 1.124 222 L HN 0.463 nan 8.230 nan 0.000 0.456 223 P HA -0.126 nan 4.420 nan 0.000 0.218 223 P C 0.793 178.154 177.300 0.103 0.000 1.149 223 P CA 0.965 64.118 63.100 0.088 0.000 0.817 223 P CB 0.281 32.050 31.700 0.115 0.000 0.785 224 E N -1.067 119.211 120.200 0.129 0.000 2.338 224 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 224 E C 1.448 178.124 176.600 0.126 0.000 1.007 224 E CA 0.902 57.375 56.400 0.122 0.000 0.849 224 E CB -0.667 29.111 29.700 0.130 0.000 0.774 224 E HN 0.138 nan 8.360 nan 0.000 0.506 225 S N -0.681 115.102 115.700 0.139 0.000 2.556 225 S HA 0.007 4.477 4.470 -0.000 0.000 0.216 225 S C 1.554 176.285 174.600 0.219 0.000 0.970 225 S CA -0.211 58.117 58.200 0.213 0.000 0.912 225 S CB -0.112 63.261 63.200 0.288 0.000 0.790 225 S HN 0.507 nan 8.310 nan 0.000 0.504 226 C N 1.852 121.225 119.300 0.121 0.000 2.413 226 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 226 C C 2.621 177.634 174.990 0.038 0.000 1.236 226 C CA 1.141 60.190 59.018 0.052 0.000 1.735 226 C CB -0.847 26.916 27.740 0.038 0.000 2.031 226 C HN 0.410 nan 8.230 nan 0.000 0.474 227 Q N -0.297 119.548 119.800 0.076 0.000 2.119 227 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 227 Q C 1.861 177.896 176.000 0.058 0.000 0.972 227 Q CA 2.034 57.835 55.803 -0.004 0.000 0.847 227 Q CB -0.935 27.869 28.738 0.110 0.000 0.903 227 Q HN 0.934 nan 8.270 nan 0.000 0.433 228 H N 0.077 119.237 119.070 0.151 0.000 2.319 228 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 228 H C 1.877 177.327 175.328 0.203 0.000 1.092 228 H CA 1.725 57.910 56.048 0.228 0.000 1.302 228 H CB -0.060 29.860 29.762 0.265 0.000 1.373 228 H HN 0.171 nan 8.280 nan 0.000 0.497 229 L N 0.110 121.482 121.223 0.248 0.000 2.017 229 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 229 L C 1.895 178.703 176.870 -0.102 0.000 1.073 229 L CA 1.389 56.190 54.840 -0.065 0.000 0.745 229 L CB -0.648 41.142 42.059 -0.449 0.000 0.894 229 L HN 0.356 nan 8.230 nan 0.000 0.432 230 I N -0.343 120.137 120.570 -0.150 0.000 2.208 230 I HA -0.318 3.851 4.170 -0.000 0.000 0.245 230 I C 2.445 178.447 176.117 -0.191 0.000 1.097 230 I CA 1.661 62.832 61.300 -0.215 0.000 1.363 230 I CB -1.687 36.117 38.000 -0.327 0.000 1.051 230 I HN 0.453 nan 8.210 nan 0.000 0.413 231 H N 0.085 119.107 119.070 -0.081 0.000 2.546 231 H HA -0.050 4.505 4.556 -0.000 0.000 0.277 231 H C 2.287 177.533 175.328 -0.138 0.000 1.004 231 H CA 0.927 56.906 56.048 -0.115 0.000 1.231 231 H CB 0.172 29.862 29.762 -0.120 0.000 1.382 231 H HN 0.372 nan 8.280 nan 0.000 0.580 232 S N 0.543 116.227 115.700 -0.028 0.000 2.489 232 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 232 S C 0.735 175.311 174.600 -0.040 0.000 0.995 232 S CA -0.056 58.122 58.200 -0.036 0.000 0.934 232 S CB -0.284 62.938 63.200 0.038 0.000 0.771 232 S HN 0.196 nan 8.310 nan 0.000 0.522 233 L N 2.520 123.714 121.223 -0.048 0.000 2.416 233 L HA 0.298 4.638 4.340 -0.000 0.000 0.272 233 L C 1.054 177.870 176.870 -0.090 0.000 1.161 233 L CA -0.651 54.156 54.840 -0.055 0.000 0.845 233 L CB 0.252 42.279 42.059 -0.053 0.000 1.119 233 L HN 0.134 nan 8.230 nan 0.000 0.464 234 N N 0.592 119.211 118.700 -0.135 0.000 2.368 234 N HA 0.024 4.764 4.740 -0.000 0.000 0.176 234 N C 0.116 175.285 175.510 -0.569 0.000 1.021 234 N CA 0.783 53.622 53.050 -0.351 0.000 0.888 234 N CB 0.294 38.514 38.487 -0.444 0.000 0.995 234 N HN 0.563 nan 8.380 nan 0.000 0.437 235 H N -0.682 118.373 119.070 -0.025 0.000 2.768 235 H HA 0.270 4.826 4.556 -0.000 0.000 0.371 235 H C 1.207 176.515 175.328 -0.033 0.000 1.151 235 H CA -0.650 55.384 56.048 -0.024 0.000 1.165 235 H CB 2.254 32.007 29.762 -0.015 0.000 1.722 235 H HN -0.216 nan 8.280 nan 0.000 0.543 236 I N 0.882 121.496 120.570 0.074 0.000 2.248 236 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 236 I C 2.503 178.630 176.117 0.016 0.000 1.107 236 I CA 1.178 62.485 61.300 0.012 0.000 1.373 236 I CB -0.035 37.954 38.000 -0.017 0.000 1.055 236 I HN 0.403 nan 8.210 nan 0.000 0.418 237 K N 0.952 121.380 120.400 0.046 0.000 2.218 237 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 237 K C 1.704 178.315 176.600 0.020 0.000 1.046 237 K CA 1.499 57.803 56.287 0.028 0.000 0.933 237 K CB -0.220 32.296 32.500 0.028 0.000 0.728 237 K HN 0.477 nan 8.250 nan 0.000 0.454 238 E N 0.026 120.248 120.200 0.037 0.000 2.409 238 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 238 E C 0.187 176.778 176.600 -0.014 0.000 1.024 238 E CA 0.085 56.494 56.400 0.016 0.000 0.861 238 E CB 0.010 29.730 29.700 0.033 0.000 0.788 238 E HN 0.278 nan 8.360 nan 0.000 0.521 239 I N 3.048 123.605 120.570 -0.021 0.000 2.452 239 I HA 0.052 4.222 4.170 -0.000 0.000 0.287 239 I C -2.176 173.923 176.117 -0.030 0.000 1.079 239 I CA -2.151 59.127 61.300 -0.037 0.000 1.387 239 I CB 0.308 38.280 38.000 -0.046 0.000 1.404 239 I HN -0.273 nan 8.210 nan 0.000 0.522 240 P HA 0.070 nan 4.420 nan 0.000 0.261 240 P C 0.834 178.119 177.300 -0.024 0.000 1.203 240 P CA 0.612 63.698 63.100 -0.022 0.000 0.767 240 P CB 0.664 32.352 31.700 -0.021 0.000 0.785 241 G N 3.288 112.077 108.800 -0.018 0.000 2.352 241 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.204 241 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.204 241 G C -0.062 174.824 174.900 -0.023 0.000 1.004 241 G CA -0.477 44.611 45.100 -0.021 0.000 0.648 241 G HN 0.471 nan 8.290 nan 0.000 0.491 242 I N 2.445 123.000 120.570 -0.024 0.000 2.312 242 I HA 0.609 4.778 4.170 -0.000 0.000 0.290 242 I C 1.016 177.125 176.117 -0.014 0.000 1.008 242 I CA -0.166 61.117 61.300 -0.028 0.000 1.226 242 I CB 1.384 39.362 38.000 -0.038 0.000 1.371 242 I HN 0.243 nan 8.210 nan 0.000 0.468 243 G N 3.418 112.213 108.800 -0.009 0.000 2.887 243 G HA2 0.175 4.135 3.960 -0.000 0.000 0.277 243 G HA3 0.175 4.135 3.960 -0.000 0.000 0.277 243 G C 0.199 175.123 174.900 0.040 0.000 1.346 243 G CA -0.410 44.704 45.100 0.023 0.000 1.058 243 G HN 0.631 nan 8.290 nan 0.000 0.535 244 Y N 0.335 120.610 120.300 -0.041 0.000 2.114 244 Y HA -0.203 4.347 4.550 -0.000 0.000 0.282 244 Y C 2.750 178.626 175.900 -0.040 0.000 1.165 244 Y CA 2.446 60.520 58.100 -0.043 0.000 1.148 244 Y CB 0.208 38.642 38.460 -0.043 0.000 0.972 244 Y HN 0.264 nan 8.280 nan 0.000 0.504 245 K N -0.587 119.709 120.400 -0.174 0.000 2.026 245 K HA -0.164 4.155 4.320 -0.000 0.000 0.208 245 K C 2.325 178.790 176.600 -0.224 0.000 1.048 245 K CA 1.854 57.986 56.287 -0.259 0.000 0.929 245 K CB -1.020 31.425 32.500 -0.092 0.000 0.713 245 K HN 0.501 nan 8.250 nan 0.000 0.439 246 T N -0.098 114.371 114.554 -0.140 0.000 2.951 246 T HA 0.033 4.383 4.350 -0.000 0.000 0.268 246 T C 2.043 176.656 174.700 -0.144 0.000 1.073 246 T CA 1.140 63.166 62.100 -0.125 0.000 1.134 246 T CB -0.018 68.799 68.868 -0.084 0.000 0.884 246 T HN 0.156 nan 8.240 nan 0.000 0.479 247 A N 1.490 124.221 122.820 -0.148 0.000 1.933 247 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 247 A C 2.420 179.890 177.584 -0.189 0.000 1.175 247 A CA 1.788 53.742 52.037 -0.138 0.000 0.628 247 A CB -0.743 18.207 19.000 -0.083 0.000 0.814 247 A HN 0.593 nan 8.150 nan 0.000 0.444 248 K N -0.697 119.514 120.400 -0.315 0.000 2.057 248 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 248 K C 2.095 178.574 176.600 -0.202 0.000 1.049 248 K CA 1.602 57.700 56.287 -0.315 0.000 0.931 248 K CB -0.426 31.765 32.500 -0.516 0.000 0.714 248 K HN 0.525 nan 8.250 nan 0.000 0.440 249 C N 0.840 120.027 119.300 -0.189 0.000 2.413 249 C HA -0.115 4.345 4.460 -0.000 0.000 0.276 249 C C 2.580 177.481 174.990 -0.147 0.000 1.236 249 C CA 0.721 59.653 59.018 -0.144 0.000 1.735 249 C CB -0.811 26.852 27.740 -0.129 0.000 2.031 249 C HN 0.478 nan 8.230 nan 0.000 0.474 250 L N 0.198 121.324 121.223 -0.162 0.000 2.056 250 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 250 L C 2.658 179.428 176.870 -0.166 0.000 1.078 250 L CA 1.659 56.384 54.840 -0.191 0.000 0.749 250 L CB -0.859 41.093 42.059 -0.178 0.000 0.901 250 L HN 0.456 nan 8.230 nan 0.000 0.433 251 E N 0.632 120.756 120.200 -0.126 0.000 2.118 251 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 251 E C 2.122 178.676 176.600 -0.076 0.000 0.992 251 E CA 1.291 57.638 56.400 -0.088 0.000 0.804 251 E CB 0.030 29.685 29.700 -0.075 0.000 0.741 251 E HN 0.482 nan 8.360 nan 0.000 0.458 252 A N 0.597 123.366 122.820 -0.086 0.000 2.066 252 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 252 A C 1.942 179.493 177.584 -0.055 0.000 1.157 252 A CA 0.557 52.556 52.037 -0.063 0.000 0.670 252 A CB -0.221 18.739 19.000 -0.066 0.000 0.804 252 A HN 0.291 nan 8.150 nan 0.000 0.453 253 L N -1.229 119.936 121.223 -0.096 0.000 2.612 253 L HA 0.199 4.538 4.340 -0.000 0.000 0.230 253 L C 1.620 178.475 176.870 -0.026 0.000 1.140 253 L CA 0.520 55.306 54.840 -0.090 0.000 0.896 253 L CB -0.312 41.586 42.059 -0.268 0.000 1.065 253 L HN 0.557 nan 8.230 nan 0.000 0.447 254 G N 1.007 109.793 108.800 -0.023 0.000 2.179 254 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 254 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 254 G C 0.237 175.138 174.900 0.002 0.000 0.977 254 G CA -0.233 44.881 45.100 0.023 0.000 0.641 254 G HN 0.328 nan 8.290 nan 0.000 0.533 255 I N 1.105 121.620 120.570 -0.092 0.000 2.281 255 I HA 0.298 4.468 4.170 -0.000 0.000 0.293 255 I C 0.961 177.035 176.117 -0.072 0.000 1.085 255 I CA -0.270 60.965 61.300 -0.108 0.000 1.257 255 I CB 0.770 38.608 38.000 -0.270 0.000 1.430 255 I HN 0.123 nan 8.210 nan 0.000 0.489 256 N N 2.364 121.045 118.700 -0.031 0.000 2.332 256 N HA 0.029 4.769 4.740 -0.000 0.000 0.190 256 N C 0.184 175.686 175.510 -0.013 0.000 1.117 256 N CA -0.077 52.962 53.050 -0.018 0.000 0.883 256 N CB 0.603 39.088 38.487 -0.003 0.000 1.089 256 N HN 0.638 nan 8.380 nan 0.000 0.480 257 S N -1.365 114.322 115.700 -0.022 0.000 2.709 257 S HA 0.394 4.864 4.470 -0.000 0.000 0.302 257 S C 1.014 175.590 174.600 -0.039 0.000 1.127 257 S CA -0.833 57.349 58.200 -0.030 0.000 0.905 257 S CB 1.427 64.607 63.200 -0.032 0.000 1.151 257 S HN -0.197 nan 8.310 nan 0.000 0.510 258 V N 1.570 121.457 119.914 -0.045 0.000 2.343 258 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 258 V C 2.729 178.781 176.094 -0.069 0.000 1.051 258 V CA 2.059 64.319 62.300 -0.066 0.000 1.036 258 V CB -1.221 30.562 31.823 -0.066 0.000 0.654 258 V HN 0.788 nan 8.190 nan 0.000 0.451 259 R N 0.626 121.115 120.500 -0.018 0.000 2.103 259 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 259 R C 2.004 178.299 176.300 -0.009 0.000 1.142 259 R CA 1.802 57.898 56.100 -0.006 0.000 0.960 259 R CB -0.939 29.357 30.300 -0.007 0.000 0.858 259 R HN 0.472 nan 8.270 nan 0.000 0.439 260 D N 0.064 120.465 120.400 0.002 0.000 2.104 260 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 260 D C 1.749 178.087 176.300 0.064 0.000 0.994 260 D CA 0.955 54.982 54.000 0.045 0.000 0.830 260 D CB -0.260 40.557 40.800 0.028 0.000 0.959 260 D HN 0.029 nan 8.370 nan 0.000 0.452 261 L N 1.099 122.311 121.223 -0.018 0.000 2.017 261 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 261 L C 2.161 179.013 176.870 -0.030 0.000 1.073 261 L CA 1.710 56.526 54.840 -0.040 0.000 0.745 261 L CB -0.824 41.175 42.059 -0.099 0.000 0.894 261 L HN 0.033 nan 8.230 nan 0.000 0.432 262 Q N -1.144 118.551 119.800 -0.176 0.000 2.152 262 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 262 Q C 1.514 177.533 176.000 0.032 0.000 0.985 262 Q CA 2.175 57.758 55.803 -0.368 0.000 0.863 262 Q CB -0.352 28.053 28.738 -0.556 0.000 0.904 262 Q HN 0.733 nan 8.270 nan 0.000 0.422 263 T N -3.024 111.579 114.554 0.083 0.000 3.105 263 T HA 0.163 4.513 4.350 -0.000 0.000 0.253 263 T C 0.028 174.811 174.700 0.138 0.000 1.047 263 T CA -0.454 61.721 62.100 0.125 0.000 0.944 263 T CB -0.120 68.796 68.868 0.080 0.000 1.016 263 T HN 0.004 nan 8.240 nan 0.000 0.544 264 F N 3.332 123.301 119.950 0.032 0.000 2.412 264 F HA 0.461 4.988 4.527 -0.000 0.000 0.348 264 F C 0.918 176.744 175.800 0.042 0.000 1.102 264 F CA -0.809 57.207 58.000 0.026 0.000 1.196 264 F CB 1.139 40.144 39.000 0.009 0.000 1.144 264 F HN 0.142 nan 8.300 nan 0.000 0.541 265 S N 7.374 122.898 115.700 -0.293 0.000 2.629 265 S HA 0.061 4.531 4.470 -0.000 0.000 0.302 265 S C -1.671 172.987 174.600 0.097 0.000 1.244 265 S CA -0.974 57.156 58.200 -0.117 0.000 1.098 265 S CB 0.544 63.599 63.200 -0.242 0.000 0.858 265 S HN 0.503 nan 8.310 nan 0.000 0.502 266 P HA -0.149 nan 4.420 nan 0.000 0.218 266 P C 1.244 178.599 177.300 0.092 0.000 1.148 266 P CA 1.441 64.610 63.100 0.115 0.000 0.822 266 P CB 0.031 31.778 31.700 0.077 0.000 0.784 267 K N 0.338 120.773 120.400 0.058 0.000 2.057 267 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 267 K C 1.895 178.534 176.600 0.066 0.000 1.050 267 K CA 1.610 57.924 56.287 0.045 0.000 0.935 267 K CB -1.007 31.505 32.500 0.019 0.000 0.715 267 K HN 0.125 nan 8.250 nan 0.000 0.439 268 I N 0.164 120.787 120.570 0.089 0.000 2.546 268 I HA -0.131 4.039 4.170 -0.000 0.000 0.255 268 I C 2.421 178.663 176.117 0.207 0.000 1.163 268 I CA 0.643 62.026 61.300 0.139 0.000 1.457 268 I CB -0.618 37.464 38.000 0.137 0.000 1.092 268 I HN 0.119 nan 8.210 nan 0.000 0.434 269 L N 1.316 122.697 121.223 0.264 0.000 2.046 269 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 269 L C 2.662 179.577 176.870 0.076 0.000 1.077 269 L CA 1.856 56.792 54.840 0.161 0.000 0.747 269 L CB -0.264 41.892 42.059 0.162 0.000 0.896 269 L HN 0.335 nan 8.230 nan 0.000 0.432 270 E N 0.065 120.310 120.200 0.074 0.000 2.077 270 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 270 E C 2.041 178.660 176.600 0.032 0.000 0.989 270 E CA 1.720 58.145 56.400 0.043 0.000 0.800 270 E CB 0.005 29.728 29.700 0.038 0.000 0.746 270 E HN 0.563 nan 8.360 nan 0.000 0.452 271 K N 0.554 120.978 120.400 0.039 0.000 2.288 271 K HA -0.110 4.210 4.320 -0.000 0.000 0.201 271 K C 1.844 178.457 176.600 0.023 0.000 1.048 271 K CA 1.251 57.555 56.287 0.028 0.000 0.956 271 K CB 0.133 32.651 32.500 0.030 0.000 0.746 271 K HN -0.091 nan 8.250 nan 0.000 0.461 272 E N 0.982 121.199 120.200 0.028 0.000 2.122 272 E HA 0.003 4.352 4.350 -0.000 0.000 0.190 272 E C 0.996 177.589 176.600 -0.011 0.000 0.977 272 E CA 0.871 57.277 56.400 0.010 0.000 0.820 272 E CB 0.261 29.967 29.700 0.011 0.000 0.770 272 E HN 0.499 nan 8.360 nan 0.000 0.462 273 L N -3.011 118.205 121.223 -0.012 0.000 3.333 273 L HA 0.604 4.944 4.340 -0.000 0.000 0.299 273 L C 0.415 177.278 176.870 -0.013 0.000 1.256 273 L CA -0.188 54.639 54.840 -0.022 0.000 1.037 273 L CB 0.904 42.939 42.059 -0.040 0.000 1.423 273 L HN 0.027 nan 8.230 nan 0.000 0.605 274 G N 0.298 109.097 108.800 -0.003 0.000 2.719 274 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 274 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 274 G C 0.152 175.054 174.900 0.004 0.000 1.201 274 G CA -0.318 44.782 45.100 -0.000 0.000 0.768 274 G HN 0.029 nan 8.290 nan 0.000 0.629 275 I N 1.710 122.284 120.570 0.006 0.000 2.163 275 I HA -0.136 4.033 4.170 -0.000 0.000 0.243 275 I C 2.977 179.098 176.117 0.007 0.000 1.085 275 I CA 2.884 64.190 61.300 0.009 0.000 1.347 275 I CB -0.631 37.374 38.000 0.008 0.000 1.044 275 I HN 0.955 nan 8.210 nan 0.000 0.408 276 S N 0.038 115.739 115.700 0.002 0.000 2.395 276 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 276 S C 2.029 176.628 174.600 -0.002 0.000 1.027 276 S CA 1.040 59.240 58.200 -0.000 0.000 0.965 276 S CB -0.704 62.494 63.200 -0.003 0.000 0.812 276 S HN 0.203 nan 8.310 nan 0.000 0.482 277 V N 2.616 122.527 119.914 -0.005 0.000 2.283 277 V HA -0.001 4.119 4.120 -0.000 0.000 0.243 277 V C 3.229 179.319 176.094 -0.006 0.000 1.039 277 V CA 1.526 63.821 62.300 -0.010 0.000 1.016 277 V CB -1.623 30.190 31.823 -0.016 0.000 0.650 277 V HN 0.653 nan 8.190 nan 0.000 0.449 278 A N -0.499 122.320 122.820 -0.001 0.000 1.884 278 A HA -0.377 3.943 4.320 -0.000 0.000 0.219 278 A C 2.174 179.773 177.584 0.025 0.000 1.197 278 A CA 2.572 54.615 52.037 0.010 0.000 0.637 278 A CB -0.697 18.317 19.000 0.024 0.000 0.827 278 A HN 0.635 nan 8.150 nan 0.000 0.450 279 Q N -1.507 118.308 119.800 0.026 0.000 2.124 279 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 279 Q C 2.409 178.427 176.000 0.031 0.000 0.977 279 Q CA 1.562 57.385 55.803 0.033 0.000 0.850 279 Q CB -0.140 28.611 28.738 0.021 0.000 0.901 279 Q HN 0.703 nan 8.270 nan 0.000 0.429 280 R N 0.833 121.342 120.500 0.014 0.000 2.062 280 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 280 R C 2.362 178.667 176.300 0.008 0.000 1.128 280 R CA 1.363 57.467 56.100 0.007 0.000 0.960 280 R CB -0.237 30.059 30.300 -0.007 0.000 0.855 280 R HN 0.398 nan 8.270 nan 0.000 0.432 281 I N -1.271 119.300 120.570 0.000 0.000 2.315 281 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 281 I C 2.404 178.523 176.117 0.003 0.000 1.117 281 I CA 1.313 62.606 61.300 -0.011 0.000 1.404 281 I CB -0.478 37.504 38.000 -0.030 0.000 1.071 281 I HN 0.208 nan 8.210 nan 0.000 0.419 282 Q N 1.509 121.329 119.800 0.034 0.000 2.084 282 Q HA -0.222 4.117 4.340 -0.000 0.000 0.202 282 Q C 2.232 178.334 176.000 0.171 0.000 0.978 282 Q CA 1.788 57.642 55.803 0.085 0.000 0.844 282 Q CB 0.015 28.835 28.738 0.136 0.000 0.898 282 Q HN 0.524 nan 8.270 nan 0.000 0.426 283 K N 0.076 120.566 120.400 0.149 0.000 2.044 283 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 283 K C 2.046 178.718 176.600 0.121 0.000 1.049 283 K CA 1.565 57.948 56.287 0.160 0.000 0.927 283 K CB -0.199 32.345 32.500 0.074 0.000 0.713 283 K HN 0.239 nan 8.250 nan 0.000 0.443 284 L N 0.842 122.092 121.223 0.044 0.000 2.043 284 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 284 L C 2.558 179.408 176.870 -0.033 0.000 1.075 284 L CA 1.655 56.494 54.840 -0.002 0.000 0.752 284 L CB -0.851 41.193 42.059 -0.026 0.000 0.891 284 L HN 0.334 nan 8.230 nan 0.000 0.432 285 S N -0.595 115.062 115.700 -0.071 0.000 2.442 285 S HA -0.148 4.322 4.470 -0.000 0.000 0.236 285 S C 1.554 175.942 174.600 -0.354 0.000 1.007 285 S CA 1.009 59.077 58.200 -0.219 0.000 0.965 285 S CB -0.574 62.451 63.200 -0.291 0.000 0.773 285 S HN 0.407 nan 8.310 nan 0.000 0.504 286 F N 1.395 121.314 119.950 -0.051 0.000 2.727 286 F HA 0.420 4.947 4.527 -0.000 0.000 0.302 286 F C 1.921 177.680 175.800 -0.067 0.000 1.097 286 F CA 0.167 58.132 58.000 -0.058 0.000 1.330 286 F CB 0.425 39.409 39.000 -0.027 0.000 1.084 286 F HN 0.408 nan 8.300 nan 0.000 0.578 287 G N 0.957 109.799 108.800 0.070 0.000 2.157 287 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.239 287 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.239 287 G C -0.063 174.855 174.900 0.031 0.000 0.982 287 G CA 0.041 45.153 45.100 0.020 0.000 0.650 287 G HN 0.452 nan 8.290 nan 0.000 0.527 288 E N 0.083 120.319 120.200 0.060 0.000 2.204 288 E HA 0.652 5.002 4.350 -0.000 0.000 0.276 288 E C -1.061 175.546 176.600 0.011 0.000 0.974 288 E CA -0.730 55.690 56.400 0.033 0.000 0.815 288 E CB 2.243 31.963 29.700 0.034 0.000 1.119 288 E HN 0.098 nan 8.360 nan 0.000 0.393 289 D N 1.931 122.324 120.400 -0.011 0.000 2.300 289 D HA 0.015 4.655 4.640 -0.000 0.000 0.218 289 D C -0.791 175.484 176.300 -0.040 0.000 1.326 289 D CA -0.503 53.478 54.000 -0.032 0.000 0.942 289 D CB 0.154 40.923 40.800 -0.052 0.000 1.495 289 D HN 0.617 nan 8.370 nan 0.000 0.545 290 N N 1.504 120.183 118.700 -0.036 0.000 2.398 290 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 290 N C 0.410 175.892 175.510 -0.047 0.000 1.122 290 N CA -0.415 52.615 53.050 -0.034 0.000 0.866 290 N CB 0.482 38.954 38.487 -0.025 0.000 0.970 290 N HN 0.188 nan 8.380 nan 0.000 0.462 291 S N 1.872 117.532 115.700 -0.066 0.000 2.546 291 S HA 0.105 4.574 4.470 -0.000 0.000 0.290 291 S C -2.081 172.464 174.600 -0.092 0.000 1.290 291 S CA -1.251 56.900 58.200 -0.081 0.000 1.069 291 S CB 0.271 63.406 63.200 -0.108 0.000 0.846 291 S HN 0.224 nan 8.310 nan 0.000 0.495 292 P HA 0.226 nan 4.420 nan 0.000 0.276 292 P C -0.800 176.450 177.300 -0.083 0.000 1.244 292 P CA -0.648 62.416 63.100 -0.060 0.000 0.801 292 P CB 0.555 32.235 31.700 -0.034 0.000 1.006 293 V N 3.861 123.737 119.914 -0.065 0.000 2.479 293 V HA 0.065 4.185 4.120 -0.000 0.000 0.281 293 V C 0.858 176.948 176.094 -0.007 0.000 1.031 293 V CA -0.046 62.227 62.300 -0.045 0.000 1.038 293 V CB -0.255 31.576 31.823 0.013 0.000 0.981 293 V HN 0.378 nan 8.190 nan 0.000 0.478 294 I N 4.254 124.824 120.570 -0.000 0.000 2.460 294 I HA 0.503 4.673 4.170 -0.000 0.000 0.298 294 I C -0.387 175.755 176.117 0.041 0.000 0.989 294 I CA -1.124 60.186 61.300 0.017 0.000 1.173 294 I CB 1.655 39.660 38.000 0.007 0.000 1.338 294 I HN 0.506 nan 8.210 nan 0.000 0.456 295 L N 5.185 126.434 121.223 0.043 0.000 2.477 295 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 295 L C 1.177 178.084 176.870 0.061 0.000 1.157 295 L CA 0.849 55.722 54.840 0.056 0.000 0.889 295 L CB 0.912 43.001 42.059 0.050 0.000 1.158 295 L HN 0.761 nan 8.230 nan 0.000 0.473 296 S N 3.520 119.267 115.700 0.077 0.000 2.355 296 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 296 S C 1.168 175.825 174.600 0.095 0.000 1.031 296 S CA 0.711 58.964 58.200 0.088 0.000 0.993 296 S CB -0.842 62.419 63.200 0.102 0.000 0.859 296 S HN 1.334 nan 8.310 nan 0.000 0.453 297 G N 1.834 110.698 108.800 0.107 0.000 2.574 297 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.282 297 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.282 297 G C -2.662 172.320 174.900 0.137 0.000 1.257 297 G CA -0.293 44.871 45.100 0.107 0.000 0.956 297 G HN 0.415 nan 8.290 nan 0.000 0.560 298 P HA 0.353 nan 4.420 nan 0.000 0.272 298 P C -2.020 175.301 177.300 0.035 0.000 1.230 298 P CA -0.804 62.316 63.100 0.035 0.000 0.788 298 P CB 0.192 31.897 31.700 0.008 0.000 0.949 299 P HA 0.125 nan 4.420 nan 0.000 0.275 299 P C -0.080 177.111 177.300 -0.182 0.000 1.228 299 P CA -0.005 63.069 63.100 -0.043 0.000 0.786 299 P CB 0.879 32.534 31.700 -0.076 0.000 0.927 300 Q N 0.069 119.795 119.800 -0.123 0.000 2.424 300 Q HA 0.087 4.427 4.340 -0.000 0.000 0.204 300 Q C 0.508 176.401 176.000 -0.177 0.000 0.933 300 Q CA 0.418 56.149 55.803 -0.121 0.000 0.929 300 Q CB 0.168 28.881 28.738 -0.042 0.000 1.037 300 Q HN 0.623 nan 8.270 nan 0.000 0.511 301 S N -0.821 114.715 115.700 -0.273 0.000 2.570 301 S HA 0.670 5.140 4.470 -0.000 0.000 0.270 301 S C -1.220 173.159 174.600 -0.368 0.000 1.149 301 S CA -0.973 57.090 58.200 -0.229 0.000 0.837 301 S CB 1.003 64.186 63.200 -0.028 0.000 1.124 301 S HN 0.110 nan 8.310 nan 0.000 0.465 302 F N 1.349 121.400 119.950 0.168 0.000 2.547 302 F HA 0.747 5.274 4.527 -0.000 0.000 0.316 302 F C 0.397 176.268 175.800 0.118 0.000 1.121 302 F CA -0.440 57.656 58.000 0.161 0.000 0.911 302 F CB 2.594 41.705 39.000 0.185 0.000 1.179 302 F HN 0.922 nan 8.300 nan 0.000 0.443 303 S N 1.448 117.311 115.700 0.272 0.000 2.627 303 S HA 0.793 5.263 4.470 -0.000 0.000 0.283 303 S C -1.464 173.205 174.600 0.114 0.000 1.127 303 S CA -0.887 57.396 58.200 0.138 0.000 0.863 303 S CB 2.800 66.056 63.200 0.095 0.000 1.121 303 S HN 0.509 nan 8.310 nan 0.000 0.479 304 E N 0.945 121.177 120.200 0.052 0.000 2.292 304 E HA 0.473 4.823 4.350 -0.000 0.000 0.272 304 E C -1.051 175.572 176.600 0.039 0.000 0.881 304 E CA -0.464 55.964 56.400 0.048 0.000 0.754 304 E CB 2.296 32.010 29.700 0.023 0.000 1.201 304 E HN 0.880 nan 8.360 nan 0.000 0.425 305 E N 1.108 121.336 120.200 0.047 0.000 2.429 305 E HA 0.703 5.053 4.350 -0.000 0.000 0.276 305 E C -1.291 175.341 176.600 0.054 0.000 0.953 305 E CA -0.898 55.529 56.400 0.045 0.000 0.787 305 E CB 2.432 32.147 29.700 0.025 0.000 1.307 305 E HN 0.143 nan 8.360 nan 0.000 0.458 306 D N 0.267 120.706 120.400 0.065 0.000 2.859 306 D HA 0.346 4.985 4.640 -0.000 0.000 0.223 306 D C -1.586 174.654 176.300 -0.100 0.000 1.218 306 D CA -0.354 53.694 54.000 0.080 0.000 0.850 306 D CB 2.305 43.232 40.800 0.212 0.000 1.656 306 D HN 0.551 nan 8.370 nan 0.000 0.484 307 S N 0.974 116.579 115.700 -0.158 0.000 2.578 307 S HA 0.945 5.415 4.470 -0.000 0.000 0.301 307 S C -0.702 173.740 174.600 -0.263 0.000 1.091 307 S CA -0.672 57.262 58.200 -0.443 0.000 1.032 307 S CB 1.105 64.192 63.200 -0.189 0.000 1.064 307 S HN 0.422 nan 8.310 nan 0.000 0.508 308 F N -1.324 118.689 119.950 0.106 0.000 2.741 308 F HA 0.598 5.124 4.527 -0.000 0.000 0.311 308 F C 0.589 176.454 175.800 0.109 0.000 1.149 308 F CA -1.321 56.736 58.000 0.094 0.000 0.930 308 F CB 0.595 39.637 39.000 0.070 0.000 1.312 308 F HN 0.386 nan 8.300 nan 0.000 0.450 309 K N 0.218 120.811 120.400 0.322 0.000 2.097 309 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 309 K C -0.072 176.714 176.600 0.311 0.000 1.050 309 K CA 1.237 57.660 56.287 0.227 0.000 0.938 309 K CB 0.033 32.603 32.500 0.117 0.000 0.718 309 K HN 0.729 nan 8.250 nan 0.000 0.442 310 K N -0.294 120.275 120.400 0.281 0.000 2.571 310 K HA 0.156 4.476 4.320 -0.000 0.000 0.252 310 K C -2.058 174.525 176.600 -0.029 0.000 0.956 310 K CA -0.453 55.869 56.287 0.059 0.000 0.822 310 K CB 1.846 34.158 32.500 -0.312 0.000 1.286 310 K HN 0.047 nan 8.250 nan 0.000 0.439 311 C N 3.677 122.991 119.300 0.022 0.000 2.381 311 C HA 0.613 5.073 4.460 -0.000 0.000 0.328 311 C C 0.358 175.328 174.990 -0.032 0.000 1.190 311 C CA -0.148 58.817 59.018 -0.089 0.000 1.369 311 C CB 0.320 27.987 27.740 -0.121 0.000 2.029 311 C HN 0.875 nan 8.230 nan 0.000 0.448 312 S N 2.660 118.204 115.700 -0.260 0.000 2.937 312 S HA 0.414 4.884 4.470 -0.000 0.000 0.252 312 S C -0.044 174.069 174.600 -0.811 0.000 1.022 312 S CA 0.234 58.041 58.200 -0.655 0.000 1.079 312 S CB -0.235 62.652 63.200 -0.522 0.000 1.035 312 S HN 1.475 nan 8.310 nan 0.000 0.594 313 S N -0.137 115.381 115.700 -0.304 0.000 2.615 313 S HA 0.560 5.029 4.470 -0.000 0.000 0.269 313 S C -0.143 174.542 174.600 0.143 0.000 1.161 313 S CA -0.523 57.638 58.200 -0.065 0.000 0.817 313 S CB 1.494 64.629 63.200 -0.109 0.000 1.131 313 S HN 0.044 nan 8.310 nan 0.000 0.467 314 E N 0.122 120.400 120.200 0.130 0.000 2.332 314 E HA 0.092 4.442 4.350 -0.000 0.000 0.202 314 E C 1.742 178.314 176.600 -0.046 0.000 0.877 314 E CA 0.796 57.266 56.400 0.117 0.000 0.979 314 E CB 0.052 29.870 29.700 0.195 0.000 0.969 314 E HN 0.541 nan 8.360 nan 0.000 0.495 315 V N 2.083 121.983 119.914 -0.023 0.000 2.279 315 V HA -0.405 3.715 4.120 -0.000 0.000 0.258 315 V C 2.092 178.131 176.094 -0.091 0.000 1.078 315 V CA 2.756 65.022 62.300 -0.055 0.000 1.096 315 V CB -0.681 31.114 31.823 -0.046 0.000 0.740 315 V HN 0.346 nan 8.190 nan 0.000 0.465 316 E N -0.895 119.250 120.200 -0.091 0.000 2.166 316 E HA 0.092 4.442 4.350 -0.000 0.000 0.192 316 E C 2.338 178.841 176.600 -0.161 0.000 0.967 316 E CA 0.757 57.082 56.400 -0.125 0.000 0.840 316 E CB -0.247 29.372 29.700 -0.135 0.000 0.795 316 E HN 0.584 nan 8.360 nan 0.000 0.470 317 A N 2.152 124.867 122.820 -0.175 0.000 1.944 317 A HA -0.347 3.973 4.320 -0.000 0.000 0.222 317 A C 2.071 179.496 177.584 -0.265 0.000 1.237 317 A CA 2.509 54.346 52.037 -0.333 0.000 0.668 317 A CB -0.384 18.069 19.000 -0.912 0.000 0.830 317 A HN 0.146 nan 8.150 nan 0.000 0.471 318 K N -2.684 117.585 120.400 -0.218 0.000 2.344 318 K HA 0.013 4.333 4.320 -0.000 0.000 0.200 318 K C 1.614 178.137 176.600 -0.129 0.000 1.132 318 K CA 0.456 56.617 56.287 -0.210 0.000 0.935 318 K CB -0.013 32.390 32.500 -0.162 0.000 1.089 318 K HN 0.345 nan 8.250 nan 0.000 0.496 319 N N 2.036 120.668 118.700 -0.113 0.000 2.104 319 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 319 N C 1.621 177.085 175.510 -0.077 0.000 1.024 319 N CA 1.300 54.299 53.050 -0.085 0.000 0.853 319 N CB -0.168 38.269 38.487 -0.083 0.000 1.008 319 N HN 0.139 nan 8.380 nan 0.000 0.424 320 K N 1.353 121.695 120.400 -0.095 0.000 2.057 320 K HA 0.088 4.408 4.320 -0.000 0.000 0.206 320 K C 1.944 178.528 176.600 -0.028 0.000 1.050 320 K CA 0.778 57.031 56.287 -0.058 0.000 0.935 320 K CB -0.436 32.020 32.500 -0.073 0.000 0.715 320 K HN 0.132 nan 8.250 nan 0.000 0.439 321 I N 0.893 121.431 120.570 -0.053 0.000 2.226 321 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 321 I C 2.100 178.192 176.117 -0.041 0.000 1.100 321 I CA 1.455 62.729 61.300 -0.043 0.000 1.374 321 I CB -0.275 37.682 38.000 -0.072 0.000 1.057 321 I HN 0.297 nan 8.210 nan 0.000 0.413 322 E N 0.441 120.613 120.200 -0.046 0.000 2.058 322 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 322 E C 2.106 178.692 176.600 -0.024 0.000 0.997 322 E CA 1.552 57.932 56.400 -0.032 0.000 0.801 322 E CB -0.184 29.495 29.700 -0.035 0.000 0.746 322 E HN 0.514 nan 8.360 nan 0.000 0.450 323 E N 0.953 121.140 120.200 -0.022 0.000 2.077 323 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 323 E C 2.219 178.814 176.600 -0.009 0.000 0.989 323 E CA 0.714 57.106 56.400 -0.013 0.000 0.800 323 E CB -0.008 29.687 29.700 -0.009 0.000 0.746 323 E HN 0.209 nan 8.360 nan 0.000 0.452 324 L N 0.494 121.713 121.223 -0.008 0.000 2.017 324 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 324 L C 2.786 179.629 176.870 -0.045 0.000 1.073 324 L CA 0.713 55.545 54.840 -0.014 0.000 0.745 324 L CB -0.495 41.560 42.059 -0.007 0.000 0.894 324 L HN 0.268 nan 8.230 nan 0.000 0.432 325 L N 0.244 121.433 121.223 -0.058 0.000 2.042 325 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 325 L C 2.639 179.500 176.870 -0.014 0.000 1.076 325 L CA 1.983 56.780 54.840 -0.072 0.000 0.749 325 L CB -0.656 41.376 42.059 -0.045 0.000 0.893 325 L HN 0.167 nan 8.230 nan 0.000 0.432 326 A N -1.633 121.183 122.820 -0.006 0.000 1.902 326 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 326 A C 2.424 180.009 177.584 0.002 0.000 1.181 326 A CA 2.021 54.061 52.037 0.005 0.000 0.623 326 A CB -1.015 17.983 19.000 -0.003 0.000 0.818 326 A HN 0.511 nan 8.150 nan 0.000 0.443 327 S N -0.293 115.403 115.700 -0.007 0.000 2.370 327 S HA -0.117 4.352 4.470 -0.000 0.000 0.226 327 S C 1.822 176.416 174.600 -0.009 0.000 1.033 327 S CA 1.482 59.676 58.200 -0.009 0.000 1.011 327 S CB -0.447 62.752 63.200 -0.003 0.000 0.852 327 S HN 0.514 nan 8.310 nan 0.000 0.457 328 L N 0.682 121.901 121.223 -0.006 0.000 2.131 328 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 328 L C 2.100 179.033 176.870 0.105 0.000 1.092 328 L CA 0.987 55.842 54.840 0.025 0.000 0.759 328 L CB -0.402 41.602 42.059 -0.091 0.000 0.903 328 L HN 0.314 nan 8.230 nan 0.000 0.435 329 L N -1.492 119.799 121.223 0.113 0.000 2.095 329 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 329 L C 2.007 178.884 176.870 0.011 0.000 1.080 329 L CA 0.275 55.186 54.840 0.119 0.000 0.759 329 L CB -0.612 41.520 42.059 0.122 0.000 0.914 329 L HN 0.317 nan 8.230 nan 0.000 0.439 330 N N 0.249 118.941 118.700 -0.015 0.000 1.586 330 N HA -0.394 4.345 4.740 -0.000 0.000 0.124 330 N C 1.816 177.264 175.510 -0.102 0.000 0.199 330 N CA 2.791 55.812 53.050 -0.048 0.000 1.284 330 N CB -0.417 38.046 38.487 -0.041 0.000 1.045 330 N HN 0.304 nan 8.380 nan 0.000 0.871 331 R N -0.291 120.109 120.500 -0.167 0.000 2.225 331 R HA 0.201 4.541 4.340 -0.000 0.000 0.194 331 R C 2.197 178.210 176.300 -0.479 0.000 0.957 331 R CA 0.293 56.218 56.100 -0.292 0.000 1.042 331 R CB 0.245 30.349 30.300 -0.328 0.000 1.004 331 R HN 0.076 nan 8.270 nan 0.000 0.509 332 V N 0.222 119.886 119.914 -0.416 0.000 2.343 332 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 332 V C 2.111 178.110 176.094 -0.157 0.000 1.051 332 V CA 1.577 63.695 62.300 -0.303 0.000 1.036 332 V CB -0.319 31.408 31.823 -0.159 0.000 0.654 332 V HN 0.468 nan 8.190 nan 0.000 0.451 333 C N -0.704 118.526 119.300 -0.117 0.000 2.430 333 C HA -0.124 4.336 4.460 -0.000 0.000 0.288 333 C C 2.493 177.441 174.990 -0.071 0.000 1.448 333 C CA 1.618 60.590 59.018 -0.076 0.000 1.784 333 C CB -0.952 26.753 27.740 -0.058 0.000 1.776 333 C HN 0.698 nan 8.230 nan 0.000 0.547 334 Q N -0.769 118.973 119.800 -0.097 0.000 2.254 334 Q HA 0.068 4.408 4.340 -0.000 0.000 0.259 334 Q C 0.042 176.000 176.000 -0.071 0.000 0.815 334 Q CA -0.264 55.493 55.803 -0.078 0.000 0.961 334 Q CB 0.134 28.823 28.738 -0.082 0.000 1.140 334 Q HN 0.519 nan 8.270 nan 0.000 0.502 335 D N 0.015 120.362 120.400 -0.088 0.000 2.749 335 D HA -0.127 4.513 4.640 -0.000 0.000 0.222 335 D C 0.681 176.976 176.300 -0.008 0.000 1.131 335 D CA 1.245 55.237 54.000 -0.014 0.000 0.845 335 D CB 0.972 41.816 40.800 0.074 0.000 1.196 335 D HN 0.489 nan 8.370 nan 0.000 0.503 336 G N 3.735 112.547 108.800 0.021 0.000 2.539 336 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.215 336 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.215 336 G C 0.902 175.821 174.900 0.032 0.000 1.141 336 G CA 0.022 45.132 45.100 0.017 0.000 0.806 336 G HN 0.378 nan 8.290 nan 0.000 0.533 337 R N -0.097 120.442 120.500 0.065 0.000 2.574 337 R HA 0.557 4.896 4.340 -0.000 0.000 0.266 337 R C -0.340 176.006 176.300 0.076 0.000 1.157 337 R CA -0.080 56.068 56.100 0.081 0.000 1.187 337 R CB 0.543 30.906 30.300 0.106 0.000 1.179 337 R HN -0.021 nan 8.270 nan 0.000 0.600 338 K N 1.613 122.067 120.400 0.090 0.000 2.378 338 K HA 0.367 4.687 4.320 -0.000 0.000 0.252 338 K C -2.576 174.078 176.600 0.090 0.000 0.931 338 K CA -1.994 54.317 56.287 0.039 0.000 0.794 338 K CB 2.324 34.828 32.500 0.006 0.000 1.181 338 K HN 0.362 nan 8.250 nan 0.000 0.425 339 P HA 0.172 nan 4.420 nan 0.000 0.279 339 P C -0.509 176.772 177.300 -0.032 0.000 1.239 339 P CA -0.191 62.898 63.100 -0.019 0.000 0.789 339 P CB 0.805 32.339 31.700 -0.277 0.000 0.933 340 H N -0.888 118.169 119.070 -0.020 0.000 2.705 340 H HA 0.196 4.752 4.556 -0.000 0.000 0.269 340 H C 0.720 176.066 175.328 0.030 0.000 0.998 340 H CA 0.493 56.538 56.048 -0.005 0.000 1.193 340 H CB 0.530 30.290 29.762 -0.002 0.000 1.485 340 H HN 0.412 nan 8.280 nan 0.000 0.521 341 T N -1.377 113.274 114.554 0.161 0.000 2.903 341 T HA 0.576 4.926 4.350 -0.000 0.000 0.299 341 T C -1.375 173.471 174.700 0.244 0.000 1.093 341 T CA -0.802 61.393 62.100 0.159 0.000 1.002 341 T CB 1.627 70.572 68.868 0.127 0.000 1.127 341 T HN -0.067 nan 8.240 nan 0.000 0.488 342 V N 3.130 123.183 119.914 0.233 0.000 2.735 342 V HA 0.849 4.969 4.120 -0.000 0.000 0.310 342 V C -0.755 175.426 176.094 0.146 0.000 1.061 342 V CA -0.969 61.497 62.300 0.278 0.000 0.913 342 V CB 1.864 33.886 31.823 0.332 0.000 1.005 342 V HN 1.132 nan 8.190 nan 0.000 0.428 343 R N 4.678 125.237 120.500 0.099 0.000 2.621 343 R HA 0.673 5.013 4.340 -0.000 0.000 0.292 343 R C -2.090 174.231 176.300 0.036 0.000 0.969 343 R CA -0.718 55.421 56.100 0.064 0.000 0.887 343 R CB 1.909 32.247 30.300 0.063 0.000 1.180 343 R HN 0.672 nan 8.270 nan 0.000 0.450 344 L N 5.213 126.463 121.223 0.046 0.000 2.322 344 L HA 0.566 4.905 4.340 -0.000 0.000 0.281 344 L C -1.501 175.401 176.870 0.054 0.000 1.014 344 L CA -0.413 54.459 54.840 0.054 0.000 0.815 344 L CB 1.583 43.693 42.059 0.085 0.000 1.247 344 L HN 0.614 nan 8.230 nan 0.000 0.421 345 I N 6.069 126.674 120.570 0.058 0.000 2.509 345 I HA 0.545 4.715 4.170 -0.000 0.000 0.293 345 I C -0.244 175.917 176.117 0.073 0.000 1.020 345 I CA -0.308 61.022 61.300 0.050 0.000 1.088 345 I CB 1.778 39.800 38.000 0.036 0.000 1.267 345 I HN 0.610 nan 8.210 nan 0.000 0.430 346 I N 2.167 122.772 120.570 0.058 0.000 2.892 346 I HA 0.754 4.924 4.170 -0.000 0.000 0.306 346 I C -0.807 175.339 176.117 0.049 0.000 1.078 346 I CA -0.956 60.392 61.300 0.080 0.000 1.032 346 I CB 2.236 40.278 38.000 0.071 0.000 1.229 346 I HN 0.599 nan 8.210 nan 0.000 0.435 347 R N 3.505 124.042 120.500 0.063 0.000 2.532 347 R HA 0.556 4.895 4.340 -0.000 0.000 0.297 347 R C -1.095 175.266 176.300 0.101 0.000 0.984 347 R CA -0.678 55.450 56.100 0.047 0.000 0.884 347 R CB 1.795 32.100 30.300 0.008 0.000 1.182 347 R HN 0.798 nan 8.270 nan 0.000 0.442 348 R N 2.385 122.938 120.500 0.088 0.000 2.500 348 R HA 0.165 4.504 4.340 -0.000 0.000 0.275 348 R C -0.903 175.465 176.300 0.113 0.000 1.051 348 R CA -0.554 55.627 56.100 0.134 0.000 1.088 348 R CB 0.998 31.351 30.300 0.088 0.000 1.063 348 R HN 0.505 nan 8.270 nan 0.000 0.511 349 Y N 0.217 120.504 120.300 -0.022 0.000 2.334 349 Y HA 0.404 4.954 4.550 -0.000 0.000 0.328 349 Y C -0.411 175.404 175.900 -0.143 0.000 1.130 349 Y CA 0.054 58.044 58.100 -0.184 0.000 1.163 349 Y CB 1.597 39.677 38.460 -0.634 0.000 1.207 349 Y HN 0.526 nan 8.280 nan 0.000 0.471 350 S N 2.854 118.032 115.700 -0.869 0.000 2.625 350 S HA 0.625 5.094 4.470 -0.000 0.000 0.271 350 S C -1.436 172.711 174.600 -0.756 0.000 1.161 350 S CA -0.630 57.176 58.200 -0.657 0.000 0.820 350 S CB 1.520 64.565 63.200 -0.259 0.000 1.137 350 S HN 0.811 nan 8.310 nan 0.000 0.470 357 R N 0.138 120.637 120.500 -0.002 0.000 2.404 357 R HA 0.562 4.901 4.340 -0.000 0.000 0.291 357 R C -0.535 175.766 176.300 0.002 0.000 1.025 357 R CA -0.292 55.809 56.100 0.002 0.000 0.991 357 R CB 1.409 31.711 30.300 0.003 0.000 1.053 357 R HN 0.526 nan 8.270 nan 0.000 0.479 358 E N 0.366 120.568 120.200 0.003 0.000 2.256 358 E HA 0.368 4.718 4.350 -0.000 0.000 0.267 358 E C -1.099 175.502 176.600 0.002 0.000 0.892 358 E CA -0.643 55.754 56.400 -0.005 0.000 0.775 358 E CB 2.203 31.893 29.700 -0.016 0.000 1.207 358 E HN 0.614 nan 8.360 nan 0.000 0.420 359 S N 2.333 118.034 115.700 0.001 0.000 2.588 359 S HA 0.720 5.190 4.470 -0.000 0.000 0.275 359 S C -0.950 173.655 174.600 0.008 0.000 1.130 359 S CA -1.125 57.081 58.200 0.011 0.000 0.855 359 S CB 1.800 65.012 63.200 0.019 0.000 1.116 359 S HN 0.325 nan 8.310 nan 0.000 0.472 360 R N 1.262 121.773 120.500 0.018 0.000 2.651 360 R HA 0.543 4.882 4.340 -0.000 0.000 0.278 360 R C -1.148 175.174 176.300 0.037 0.000 1.010 360 R CA -0.452 55.660 56.100 0.020 0.000 0.896 360 R CB 1.889 32.196 30.300 0.012 0.000 1.211 360 R HN 1.013 nan 8.270 nan 0.000 0.456 361 Q N 0.345 120.169 119.800 0.041 0.000 2.565 361 Q HA 0.802 5.142 4.340 -0.000 0.000 0.294 361 Q C -1.002 175.031 176.000 0.055 0.000 1.005 361 Q CA -0.913 54.923 55.803 0.056 0.000 0.771 361 Q CB 2.461 31.235 28.738 0.060 0.000 1.486 361 Q HN 0.817 nan 8.270 nan 0.000 0.422 362 C N -2.661 116.681 119.300 0.069 0.000 3.307 362 C HA 0.660 5.120 4.460 -0.000 0.000 0.333 362 C C -3.003 172.031 174.990 0.074 0.000 1.291 362 C CA -1.681 57.374 59.018 0.062 0.000 1.273 362 C CB 0.842 28.615 27.740 0.055 0.000 1.580 362 C HN 0.745 nan 8.230 nan 0.000 0.481 363 P HA 0.283 nan 4.420 nan 0.000 0.265 363 P C -0.397 176.934 177.300 0.052 0.000 1.193 363 P CA 0.382 63.520 63.100 0.064 0.000 0.765 363 P CB 0.274 32.005 31.700 0.051 0.000 0.823 364 I N 5.246 125.839 120.570 0.038 0.000 2.416 364 I HA 0.165 4.335 4.170 -0.000 0.000 0.288 364 I C -1.833 174.263 176.117 -0.035 0.000 1.051 364 I CA -2.186 59.117 61.300 0.006 0.000 1.375 364 I CB 0.487 38.466 38.000 -0.036 0.000 1.407 364 I HN 0.173 nan 8.210 nan 0.000 0.516 365 P HA 0.031 nan 4.420 nan 0.000 0.268 365 P C -0.698 176.558 177.300 -0.073 0.000 1.205 365 P CA -0.142 62.939 63.100 -0.031 0.000 0.771 365 P CB 0.388 32.084 31.700 -0.006 0.000 0.858 366 S N 3.452 119.088 115.700 -0.107 0.000 2.555 366 S HA -0.013 4.457 4.470 -0.000 0.000 0.293 366 S C -0.066 174.419 174.600 -0.193 0.000 1.248 366 S CA 0.034 58.106 58.200 -0.214 0.000 1.096 366 S CB -0.861 62.187 63.200 -0.254 0.000 0.881 366 S HN 0.501 nan 8.310 nan 0.000 0.498 367 H N 0.991 120.023 119.070 -0.062 0.000 2.542 367 H HA -0.108 4.448 4.556 -0.000 0.000 0.313 367 H C 1.146 176.453 175.328 -0.034 0.000 0.960 367 H CA 0.238 56.258 56.048 -0.047 0.000 1.032 367 H CB -2.327 27.417 29.762 -0.030 0.000 1.620 367 H HN 0.456 nan 8.280 nan 0.000 0.346 368 V N 1.563 121.513 119.914 0.060 0.000 2.317 368 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 368 V C 2.700 178.803 176.094 0.014 0.000 1.065 368 V CA 2.297 64.616 62.300 0.033 0.000 1.049 368 V CB -0.428 31.402 31.823 0.013 0.000 0.651 368 V HN 0.663 nan 8.190 nan 0.000 0.450 369 I N -0.422 120.134 120.570 -0.022 0.000 3.102 369 I HA -0.151 4.019 4.170 -0.000 0.000 0.278 369 I C 1.147 177.298 176.117 0.057 0.000 1.316 369 I CA 1.032 62.283 61.300 -0.081 0.000 1.425 369 I CB -0.332 37.509 38.000 -0.265 0.000 1.073 369 I HN 0.419 nan 8.210 nan 0.000 0.503 370 Q N 1.196 121.100 119.800 0.174 0.000 2.483 370 Q HA 0.234 4.573 4.340 -0.000 0.000 0.245 370 Q C -0.331 175.633 176.000 -0.060 0.000 0.902 370 Q CA -0.621 55.189 55.803 0.013 0.000 0.767 370 Q CB 0.815 29.500 28.738 -0.089 0.000 1.341 370 Q HN 0.128 nan 8.270 nan 0.000 0.453 371 K N 2.509 122.881 120.400 -0.046 0.000 3.224 371 K HA -0.132 4.188 4.320 -0.000 0.000 0.270 371 K C -1.038 175.531 176.600 -0.052 0.000 1.165 371 K CA 0.313 56.574 56.287 -0.044 0.000 0.801 371 K CB -1.445 31.023 32.500 -0.054 0.000 1.286 371 K HN 0.642 nan 8.250 nan 0.000 0.500 377 Y N -0.221 120.060 120.300 -0.032 0.000 2.321 377 Y HA 0.535 5.084 4.550 -0.000 0.000 0.353 377 Y C 0.831 176.722 175.900 -0.015 0.000 1.276 377 Y CA 0.555 58.639 58.100 -0.025 0.000 1.545 377 Y CB 0.324 38.765 38.460 -0.031 0.000 1.377 377 Y HN 0.673 nan 8.280 nan 0.000 0.650 378 D N 1.220 121.615 120.400 -0.009 0.000 2.383 378 D HA 0.383 5.023 4.640 -0.000 0.000 0.245 378 D C 0.051 176.354 176.300 0.005 0.000 1.263 378 D CA 0.261 54.260 54.000 -0.002 0.000 0.936 378 D CB -0.270 40.530 40.800 -0.001 0.000 1.053 378 D HN 0.455 nan 8.370 nan 0.000 0.507 385 D N 1.302 121.719 120.400 0.027 0.000 2.106 385 D HA -0.124 4.516 4.640 -0.000 0.000 0.191 385 D C 1.929 178.254 176.300 0.042 0.000 0.997 385 D CA 2.165 56.184 54.000 0.030 0.000 0.834 385 D CB -0.116 40.701 40.800 0.028 0.000 0.956 385 D HN 0.524 nan 8.370 nan 0.000 0.448 386 I N 0.368 120.968 120.570 0.050 0.000 2.194 386 I HA -0.226 3.944 4.170 -0.000 0.000 0.246 386 I C 1.305 177.461 176.117 0.065 0.000 1.093 386 I CA 0.474 61.810 61.300 0.059 0.000 1.355 386 I CB -0.250 37.793 38.000 0.071 0.000 1.046 386 I HN -0.029 nan 8.210 nan 0.000 0.413 390 L N 1.317 122.590 121.223 0.083 0.000 2.013 390 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 390 L C 2.343 179.257 176.870 0.072 0.000 1.073 390 L CA 1.915 56.797 54.840 0.069 0.000 0.753 390 L CB -0.449 41.656 42.059 0.077 0.000 0.890 390 L HN 0.157 nan 8.230 nan 0.000 0.432 391 F N 1.642 121.577 119.950 -0.025 0.000 2.069 391 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 391 F C 2.800 178.550 175.800 -0.082 0.000 1.113 391 F CA 2.023 59.990 58.000 -0.054 0.000 1.214 391 F CB -0.201 38.769 39.000 -0.051 0.000 0.978 391 F HN 0.025 nan 8.300 nan 0.000 0.474 392 R N 0.434 120.950 120.500 0.027 0.000 2.313 392 R HA 0.007 4.346 4.340 -0.000 0.000 0.199 392 R C 1.030 177.265 176.300 -0.107 0.000 0.958 392 R CA 0.318 56.371 56.100 -0.079 0.000 1.047 392 R CB -0.940 29.405 30.300 0.075 0.000 0.955 392 R HN 0.342 nan 8.270 nan 0.000 0.481 396 N N 3.593 122.133 118.700 -0.266 0.000 2.295 396 N HA 0.785 5.525 4.740 -0.000 0.000 0.293 396 N C -0.337 175.218 175.510 0.075 0.000 1.040 396 N CA -0.031 52.968 53.050 -0.085 0.000 0.840 396 N CB 2.386 40.850 38.487 -0.038 0.000 1.468 396 N HN 0.685 nan 8.380 nan 0.000 0.478 397 V N -1.493 118.518 119.914 0.161 0.000 4.210 397 V HA 0.450 4.570 4.120 -0.000 0.000 0.481 397 V C 0.005 176.236 176.094 0.230 0.000 1.776 397 V CA -0.413 62.047 62.300 0.268 0.000 1.990 397 V CB -1.020 30.902 31.823 0.164 0.000 1.062 397 V HN 0.484 nan 8.190 nan 0.000 0.513 401 F N -1.550 118.449 119.950 0.081 0.000 2.685 401 F HA 0.802 5.329 4.527 -0.000 0.000 0.315 401 F C -1.115 174.790 175.800 0.176 0.000 1.126 401 F CA -0.757 57.315 58.000 0.120 0.000 0.950 401 F CB 2.116 41.173 39.000 0.094 0.000 1.360 401 F HN 0.460 nan 8.300 nan 0.000 0.469 402 H N 1.566 120.857 119.070 0.368 0.000 3.275 402 H HA 0.555 5.110 4.556 -0.000 0.000 0.326 402 H C -1.981 173.564 175.328 0.363 0.000 1.096 402 H CA -0.808 55.394 56.048 0.256 0.000 1.579 402 H CB 0.961 30.826 29.762 0.171 0.000 1.834 402 H HN 0.614 nan 8.280 nan 0.000 0.510 403 L N 3.741 125.364 121.223 0.666 0.000 2.334 403 L HA 0.275 4.615 4.340 -0.000 0.000 0.277 403 L C 1.238 178.492 176.870 0.640 0.000 1.075 403 L CA 0.047 55.239 54.840 0.586 0.000 0.804 403 L CB 1.347 43.783 42.059 0.628 0.000 1.174 403 L HN 0.840 nan 8.230 nan 0.000 0.438 404 T N 0.399 115.173 114.554 0.368 0.000 3.339 404 T HA 0.488 4.837 4.350 -0.000 0.000 0.292 404 T C -0.198 174.246 174.700 -0.427 0.000 1.012 404 T CA -0.277 61.843 62.100 0.034 0.000 0.937 404 T CB -0.316 68.609 68.868 0.095 0.000 1.164 404 T HN 0.366 nan 8.240 nan 0.000 0.509 405 L N 0.091 121.140 121.223 -0.289 0.000 2.491 405 L HA 0.815 5.155 4.340 -0.000 0.000 0.254 405 L C -2.244 174.619 176.870 -0.012 0.000 1.048 405 L CA -1.533 53.022 54.840 -0.474 0.000 0.855 405 L CB 2.126 44.036 42.059 -0.247 0.000 1.466 405 L HN 0.173 nan 8.230 nan 0.000 0.409 406 L N 1.788 123.062 121.223 0.085 0.000 2.408 406 L HA 0.689 5.029 4.340 -0.000 0.000 0.268 406 L C -0.956 175.980 176.870 0.109 0.000 0.986 406 L CA -0.270 54.691 54.840 0.201 0.000 0.820 406 L CB 2.295 44.558 42.059 0.340 0.000 1.303 406 L HN 0.749 nan 8.230 nan 0.000 0.411 407 S N 1.579 117.326 115.700 0.078 0.000 2.569 407 S HA 0.856 5.325 4.470 -0.000 0.000 0.280 407 S C -1.037 173.579 174.600 0.025 0.000 1.111 407 S CA -0.819 57.408 58.200 0.046 0.000 0.887 407 S CB 2.278 65.497 63.200 0.031 0.000 1.095 407 S HN 0.184 nan 8.310 nan 0.000 0.476 408 V N 0.958 120.863 119.914 -0.015 0.000 2.540 408 V HA 0.692 4.811 4.120 -0.000 0.000 0.302 408 V C -0.409 175.623 176.094 -0.103 0.000 1.035 408 V CA -0.697 61.554 62.300 -0.081 0.000 0.873 408 V CB 1.306 33.034 31.823 -0.158 0.000 0.992 408 V HN 1.208 nan 8.190 nan 0.000 0.428 409 C N 5.765 125.011 119.300 -0.091 0.000 2.441 409 C HA 0.722 5.181 4.460 -0.000 0.000 0.318 409 C C -0.712 174.297 174.990 0.032 0.000 1.222 409 C CA -0.688 58.324 59.018 -0.010 0.000 1.474 409 C CB 0.256 28.028 27.740 0.053 0.000 2.125 409 C HN 0.804 nan 8.230 nan 0.000 0.479 410 F N 5.113 125.162 119.950 0.165 0.000 2.420 410 F HA 0.633 5.160 4.527 -0.000 0.000 0.342 410 F C 0.987 176.872 175.800 0.142 0.000 1.113 410 F CA -0.488 57.618 58.000 0.176 0.000 1.059 410 F CB 1.229 40.385 39.000 0.261 0.000 1.128 410 F HN 0.988 nan 8.300 nan 0.000 0.475 411 C N 1.118 120.605 119.300 0.311 0.000 3.292 411 C HA 0.495 4.955 4.460 -0.000 0.000 0.369 411 C C 0.081 175.150 174.990 0.131 0.000 1.664 411 C CA -1.207 57.904 59.018 0.154 0.000 1.204 411 C CB 1.322 29.122 27.740 0.100 0.000 1.978 411 C HN 1.022 nan 8.230 nan 0.000 0.435 412 N N 0.096 118.841 118.700 0.075 0.000 2.671 412 N HA -0.175 4.565 4.740 -0.000 0.000 0.261 412 N C -1.085 174.468 175.510 0.072 0.000 1.053 412 N CA 0.131 53.215 53.050 0.057 0.000 0.732 412 N CB -0.610 37.923 38.487 0.077 0.000 0.887 412 N HN 0.651 nan 8.380 nan 0.000 0.546 413 L N 1.578 122.829 121.223 0.047 0.000 2.326 413 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 413 L C 0.363 177.248 176.870 0.024 0.000 1.092 413 L CA -0.051 54.834 54.840 0.075 0.000 0.810 413 L CB 1.204 43.295 42.059 0.053 0.000 1.153 413 L HN 0.155 nan 8.230 nan 0.000 0.439 414 K N 2.103 122.536 120.400 0.055 0.000 2.469 414 K HA 0.759 5.079 4.320 -0.000 0.000 0.254 414 K C -0.767 175.864 176.600 0.051 0.000 0.939 414 K CA -0.840 55.438 56.287 -0.016 0.000 0.812 414 K CB 2.328 34.700 32.500 -0.213 0.000 1.301 414 K HN 0.596 nan 8.250 nan 0.000 0.433 415 A N 0.000 122.835 122.820 0.025 0.000 2.254 415 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 415 A CA 0.000 52.059 52.037 0.037 0.000 0.836 415 A CB 0.000 19.014 19.000 0.023 0.000 0.831 415 A HN 0.000 nan 8.150 nan 0.000 0.486