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 1zj8_1_A DATA FIRST_RESID 10 DATA SEQUENCE RNEGQWALGH REPLNANEEL KKAGNPLDVR ERIENIYAKQ GFDSIDKTDL DATA SEQUENCE RGRFRWWGLY TQREQGYDGT WTGDDNIDKL EAKYFMMRVR CDGGALSAAA DATA SEQUENCE LRTLGQISTE FARDTADISD RQNVQYHWIE VENVPEIWRR LDDVGLQTTE DATA SEQUENCE ACGDCPRVVL GSPLAGESLD EVLDPTWAIE EIVRRYIGKP DFADLPRKYK DATA SEQUENCE TAISGLQDVA HEINDVAFIG VNHPEHGPGL DLWVGGGLST NPMLAQRVGA DATA SEQUENCE WVPLGEVPEV WAAVTSVFRD YGYRRLRAKA RLKFLIKDWG IAKFREVLET DATA SEQUENCE EYLKRPLIDG PAPEPVKHPI DHVGVQRLKN GLNAVGVAPI AGRVSGTILT DATA SEQUENCE AVADLMARAG SDRIRFTPYQ KLVILDIPDA LLDDLIAGLD ALGLQSRPSH DATA SEQUENCE WRRNLMACSG IEFCKLSFAE TRVRAQHLVP ELERRLEDIN SQLDVPITVN DATA SEQUENCE INGCPNSCAR IQIADIGFKG QMIDDGHGGS VEGFQVHLGG HLGLDAGFGR DATA SEQUENCE KLRQHKVTSD ELGDYIDRVV RNFVKHRSEG ERFAQWVIRA EEDDLR 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.230 176.300 -0.117 0.000 0.893 10 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 10 R CB 0.000 30.282 30.300 -0.030 0.000 0.687 11 N N 2.242 120.814 118.700 -0.214 0.000 2.573 11 N HA -0.135 4.603 4.740 -0.004 0.000 0.280 11 N C -0.344 175.132 175.510 -0.056 0.000 1.187 11 N CA 0.958 53.852 53.050 -0.260 0.000 0.717 11 N CB -0.177 38.099 38.487 -0.352 0.000 0.899 11 N HN 0.590 nan 8.380 nan 0.000 0.546 12 E N 0.438 120.660 120.200 0.037 0.000 2.403 12 E HA 0.175 4.523 4.350 -0.004 0.000 0.188 12 E C 1.519 178.180 176.600 0.102 0.000 1.056 12 E CA 0.521 56.913 56.400 -0.013 0.000 0.892 12 E CB -0.336 29.255 29.700 -0.181 0.000 1.049 12 E HN 0.752 nan 8.360 nan 0.000 0.465 13 G N 1.769 110.659 108.800 0.149 0.000 2.176 13 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.253 13 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.253 13 G C 0.287 175.335 174.900 0.247 0.000 0.979 13 G CA -0.068 45.143 45.100 0.184 0.000 0.641 13 G HN 0.348 nan 8.290 nan 0.000 0.530 14 Q N -0.503 119.452 119.800 0.259 0.000 2.247 14 Q HA 0.173 4.511 4.340 -0.004 0.000 0.288 14 Q C 1.111 177.247 176.000 0.227 0.000 1.079 14 Q CA -0.322 55.603 55.803 0.203 0.000 0.932 14 Q CB 0.376 29.236 28.738 0.204 0.000 1.133 14 Q HN 0.461 nan 8.270 nan 0.000 0.377 15 W N 1.828 123.094 121.300 -0.057 0.000 2.335 15 W HA -0.165 4.493 4.660 -0.003 0.000 0.311 15 W C 2.009 178.434 176.519 -0.157 0.000 1.213 15 W CA 1.168 58.463 57.345 -0.084 0.000 1.274 15 W CB -0.669 28.750 29.460 -0.069 0.000 1.148 15 W HN 0.763 nan 8.180 nan 0.000 0.498 16 A N -0.614 122.182 122.820 -0.040 0.000 2.209 16 A HA 0.039 4.356 4.320 -0.004 0.000 0.212 16 A C 1.694 179.120 177.584 -0.262 0.000 1.158 16 A CA 0.726 52.614 52.037 -0.248 0.000 0.742 16 A CB -0.740 17.834 19.000 -0.710 0.000 0.790 16 A HN 0.247 nan 8.150 nan 0.000 0.472 17 L N -1.616 119.452 121.223 -0.259 0.000 2.628 17 L HA 0.245 4.583 4.340 -0.004 0.000 0.229 17 L C 1.675 178.236 176.870 -0.515 0.000 1.137 17 L CA 0.502 55.111 54.840 -0.386 0.000 0.909 17 L CB -0.315 41.453 42.059 -0.485 0.000 1.137 17 L HN 0.515 nan 8.230 nan 0.000 0.470 18 G N -0.091 108.550 108.800 -0.266 0.000 2.234 18 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.260 18 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.260 18 G C 0.303 175.180 174.900 -0.039 0.000 0.987 18 G CA 0.046 45.054 45.100 -0.153 0.000 0.625 18 G HN 0.492 nan 8.290 nan 0.000 0.532 19 H N 0.242 119.335 119.070 0.039 0.000 3.195 19 H HA 0.391 4.945 4.556 -0.004 0.000 0.241 19 H C 1.432 176.814 175.328 0.090 0.000 1.823 19 H CA 0.241 56.322 56.048 0.055 0.000 1.466 19 H CB 0.027 29.831 29.762 0.068 0.000 1.819 19 H HN 0.505 nan 8.280 nan 0.000 0.575 20 R N 0.918 121.492 120.500 0.124 0.000 2.507 20 R HA 0.065 4.403 4.340 -0.004 0.000 0.298 20 R C -0.232 176.094 176.300 0.044 0.000 0.999 20 R CA -0.104 56.017 56.100 0.035 0.000 1.082 20 R CB 0.435 30.616 30.300 -0.198 0.000 1.246 20 R HN 0.209 nan 8.270 nan 0.000 0.553 21 E N 1.645 121.899 120.200 0.089 0.000 2.231 21 E HA 0.235 4.583 4.350 -0.004 0.000 0.277 21 E C -2.423 174.231 176.600 0.091 0.000 0.999 21 E CA -2.558 53.880 56.400 0.064 0.000 0.827 21 E CB 1.252 30.976 29.700 0.040 0.000 1.101 21 E HN 0.115 nan 8.360 nan 0.000 0.393 22 P HA 0.056 nan 4.420 nan 0.000 0.262 22 P C 0.192 177.528 177.300 0.060 0.000 1.199 22 P CA 0.321 63.469 63.100 0.081 0.000 0.763 22 P CB 0.453 32.190 31.700 0.061 0.000 0.790 23 L N 1.987 123.248 121.223 0.063 0.000 2.857 23 L HA 0.273 4.611 4.340 -0.004 0.000 0.249 23 L C 0.545 177.437 176.870 0.037 0.000 1.172 23 L CA 0.124 54.989 54.840 0.042 0.000 0.980 23 L CB -0.231 41.851 42.059 0.037 0.000 1.299 23 L HN 0.357 nan 8.230 nan 0.000 0.535 24 N N -0.785 117.942 118.700 0.046 0.000 2.732 24 N HA 0.331 5.069 4.740 -0.004 0.000 0.259 24 N C 0.478 176.016 175.510 0.046 0.000 1.402 24 N CA -0.044 53.032 53.050 0.044 0.000 0.829 24 N CB 1.848 40.366 38.487 0.052 0.000 1.495 24 N HN -0.178 nan 8.380 nan 0.000 0.511 25 A N 0.610 123.456 122.820 0.044 0.000 2.014 25 A HA -0.075 4.243 4.320 -0.004 0.000 0.218 25 A C 1.532 179.149 177.584 0.056 0.000 1.163 25 A CA 1.474 53.537 52.037 0.043 0.000 0.652 25 A CB -0.592 18.430 19.000 0.038 0.000 0.808 25 A HN 0.721 nan 8.150 nan 0.000 0.449 26 N N -0.215 118.527 118.700 0.069 0.000 2.135 26 N HA -0.091 4.646 4.740 -0.004 0.000 0.186 26 N C 1.549 177.119 175.510 0.100 0.000 1.027 26 N CA 1.172 54.279 53.050 0.094 0.000 0.849 26 N CB -0.133 38.417 38.487 0.104 0.000 1.002 26 N HN 0.253 nan 8.380 nan 0.000 0.425 27 E N 0.765 121.020 120.200 0.092 0.000 2.265 27 E HA -0.171 4.176 4.350 -0.004 0.000 0.196 27 E C 1.402 178.058 176.600 0.094 0.000 0.996 27 E CA 0.711 57.174 56.400 0.105 0.000 0.832 27 E CB 0.006 29.770 29.700 0.107 0.000 0.756 27 E HN 0.512 nan 8.360 nan 0.000 0.491 28 E N 0.122 120.363 120.200 0.068 0.000 2.190 28 E HA -0.098 4.250 4.350 -0.004 0.000 0.191 28 E C 2.026 178.646 176.600 0.032 0.000 0.978 28 E CA 0.259 56.688 56.400 0.048 0.000 0.839 28 E CB 0.134 29.856 29.700 0.037 0.000 0.787 28 E HN 0.165 nan 8.360 nan 0.000 0.473 29 L N -0.277 120.964 121.223 0.030 0.000 2.217 29 L HA 0.015 4.353 4.340 -0.004 0.000 0.211 29 L C 1.725 178.579 176.870 -0.027 0.000 1.107 29 L CA 1.440 56.284 54.840 0.006 0.000 0.783 29 L CB -0.329 41.737 42.059 0.013 0.000 0.919 29 L HN -0.149 nan 8.230 nan 0.000 0.442 30 K N 0.187 120.581 120.400 -0.009 0.000 2.288 30 K HA -0.005 4.313 4.320 -0.004 0.000 0.201 30 K C 1.603 178.202 176.600 -0.003 0.000 1.048 30 K CA 0.526 56.789 56.287 -0.038 0.000 0.956 30 K CB -0.085 32.441 32.500 0.043 0.000 0.746 30 K HN 0.242 nan 8.250 nan 0.000 0.461 31 K N 0.462 120.875 120.400 0.022 0.000 2.442 31 K HA -0.016 4.301 4.320 -0.004 0.000 0.198 31 K C 1.345 177.935 176.600 -0.016 0.000 1.042 31 K CA 0.498 56.791 56.287 0.011 0.000 0.958 31 K CB 0.013 32.522 32.500 0.016 0.000 0.766 31 K HN 0.078 nan 8.250 nan 0.000 0.474 32 A N 1.063 123.868 122.820 -0.026 0.000 2.359 32 A HA 0.422 4.739 4.320 -0.004 0.000 0.240 32 A C 0.653 178.212 177.584 -0.041 0.000 1.306 32 A CA 0.512 52.531 52.037 -0.029 0.000 0.898 32 A CB -0.515 18.471 19.000 -0.023 0.000 0.956 32 A HN 0.321 nan 8.150 nan 0.000 0.497 33 G N -0.336 108.435 108.800 -0.048 0.000 2.570 33 G HA2 -0.099 3.859 3.960 -0.004 0.000 0.686 33 G HA3 -0.099 3.859 3.960 -0.004 0.000 0.686 33 G C -0.512 174.338 174.900 -0.085 0.000 1.257 33 G CA -0.478 44.590 45.100 -0.053 0.000 0.846 33 G HN 0.506 nan 8.290 nan 0.000 0.627 34 N N 1.098 119.752 118.700 -0.076 0.000 2.359 34 N HA 0.139 4.877 4.740 -0.004 0.000 0.261 34 N C -0.607 174.778 175.510 -0.209 0.000 1.267 34 N CA -0.737 52.244 53.050 -0.116 0.000 0.864 34 N CB 1.168 39.620 38.487 -0.058 0.000 1.063 34 N HN 0.147 nan 8.380 nan 0.000 0.474 35 P HA -0.106 nan 4.420 nan 0.000 0.216 35 P C 1.428 178.537 177.300 -0.318 0.000 1.150 35 P CA 1.006 63.716 63.100 -0.650 0.000 0.837 35 P CB 0.180 30.805 31.700 -1.791 0.000 0.786 36 L N -0.870 120.212 121.223 -0.234 0.000 2.556 36 L HA -0.203 4.135 4.340 -0.004 0.000 0.230 36 L C 1.412 178.471 176.870 0.314 0.000 1.163 36 L CA 1.313 56.208 54.840 0.091 0.000 0.819 36 L CB -1.032 41.031 42.059 0.007 0.000 0.939 36 L HN -0.016 nan 8.230 nan 0.000 0.452 37 D N -1.073 119.401 120.400 0.124 0.000 2.219 37 D HA -0.143 4.495 4.640 -0.004 0.000 0.205 37 D C 2.200 178.561 176.300 0.102 0.000 0.970 37 D CA 0.701 54.758 54.000 0.095 0.000 0.851 37 D CB 0.043 40.857 40.800 0.023 0.000 0.943 37 D HN 0.059 nan 8.370 nan 0.000 0.488 38 V N 0.743 120.752 119.914 0.158 0.000 2.439 38 V HA -0.315 3.803 4.120 -0.004 0.000 0.253 38 V C 2.360 178.450 176.094 -0.006 0.000 1.074 38 V CA 1.507 63.886 62.300 0.131 0.000 1.076 38 V CB -0.533 31.425 31.823 0.225 0.000 0.664 38 V HN 0.245 nan 8.190 nan 0.000 0.461 39 R N -0.160 120.269 120.500 -0.117 0.000 2.133 39 R HA -0.229 4.109 4.340 -0.004 0.000 0.247 39 R C 2.373 178.548 176.300 -0.208 0.000 1.151 39 R CA 1.947 57.776 56.100 -0.452 0.000 0.971 39 R CB -0.138 29.632 30.300 -0.883 0.000 0.866 39 R HN 0.586 nan 8.270 nan 0.000 0.447 40 E N 0.024 120.146 120.200 -0.129 0.000 2.047 40 E HA -0.173 4.175 4.350 -0.004 0.000 0.191 40 E C 2.056 178.584 176.600 -0.119 0.000 0.987 40 E CA 1.011 57.349 56.400 -0.103 0.000 0.799 40 E CB -0.259 29.396 29.700 -0.076 0.000 0.752 40 E HN 0.357 nan 8.360 nan 0.000 0.449 41 R N 0.354 120.776 120.500 -0.130 0.000 2.159 41 R HA -0.095 4.243 4.340 -0.004 0.000 0.237 41 R C 2.338 178.459 176.300 -0.298 0.000 1.131 41 R CA 0.772 56.715 56.100 -0.261 0.000 0.982 41 R CB -0.140 30.016 30.300 -0.240 0.000 0.868 41 R HN 0.179 nan 8.270 nan 0.000 0.453 42 I N 0.657 121.171 120.570 -0.093 0.000 2.193 42 I HA -0.190 3.978 4.170 -0.004 0.000 0.240 42 I C 1.773 177.845 176.117 -0.076 0.000 1.084 42 I CA 1.589 62.869 61.300 -0.032 0.000 1.365 42 I CB -0.924 37.001 38.000 -0.125 0.000 1.064 42 I HN 0.186 nan 8.210 nan 0.000 0.410 43 E N 0.684 120.842 120.200 -0.070 0.000 2.152 43 E HA -0.146 4.202 4.350 -0.004 0.000 0.192 43 E C 1.853 178.408 176.600 -0.075 0.000 0.983 43 E CA 0.788 57.153 56.400 -0.060 0.000 0.818 43 E CB 0.039 29.720 29.700 -0.033 0.000 0.758 43 E HN 0.460 nan 8.360 nan 0.000 0.467 44 N N 0.256 118.893 118.700 -0.104 0.000 2.176 44 N HA -0.038 4.700 4.740 -0.004 0.000 0.187 44 N C 1.648 177.084 175.510 -0.125 0.000 1.043 44 N CA 0.887 53.873 53.050 -0.108 0.000 0.851 44 N CB -0.003 38.412 38.487 -0.120 0.000 1.018 44 N HN 0.044 nan 8.380 nan 0.000 0.436 45 I N 0.154 120.595 120.570 -0.216 0.000 2.641 45 I HA -0.076 4.092 4.170 -0.004 0.000 0.232 45 I C 2.044 178.097 176.117 -0.106 0.000 1.060 45 I CA 0.858 62.014 61.300 -0.241 0.000 1.417 45 I CB -1.666 36.021 38.000 -0.521 0.000 1.227 45 I HN 0.018 nan 8.210 nan 0.000 0.434 46 Y N 1.782 122.082 120.300 -0.000 0.000 2.224 46 Y HA -0.059 4.489 4.550 -0.004 0.000 0.289 46 Y C 2.639 178.537 175.900 -0.002 0.000 1.146 46 Y CA 0.862 58.974 58.100 0.019 0.000 1.182 46 Y CB -1.500 37.003 38.460 0.072 0.000 0.983 46 Y HN 0.209 nan 8.280 nan 0.000 0.524 47 A N -0.641 122.234 122.820 0.092 0.000 2.225 47 A HA -0.141 4.177 4.320 -0.004 0.000 0.215 47 A C 1.938 179.530 177.584 0.013 0.000 1.164 47 A CA 1.520 53.561 52.037 0.007 0.000 0.710 47 A CB -0.413 18.542 19.000 -0.075 0.000 0.780 47 A HN 0.311 nan 8.150 nan 0.000 0.473 48 K N -1.474 118.944 120.400 0.030 0.000 2.286 48 K HA 0.173 4.491 4.320 -0.004 0.000 0.203 48 K C 1.997 178.625 176.600 0.048 0.000 1.078 48 K CA 0.857 57.159 56.287 0.024 0.000 0.957 48 K CB -0.165 32.339 32.500 0.005 0.000 1.018 48 K HN 0.296 nan 8.250 nan 0.000 0.484 49 Q N -0.207 119.636 119.800 0.072 0.000 2.230 49 Q HA 0.168 4.506 4.340 -0.004 0.000 0.202 49 Q C 0.448 176.510 176.000 0.104 0.000 0.963 49 Q CA 1.050 56.904 55.803 0.085 0.000 0.866 49 Q CB 0.339 29.138 28.738 0.103 0.000 0.931 49 Q HN 0.402 nan 8.270 nan 0.000 0.452 50 G N -0.920 107.957 108.800 0.130 0.000 2.582 50 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.222 50 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.222 50 G C 0.077 175.086 174.900 0.181 0.000 1.311 50 G CA -0.258 44.931 45.100 0.149 0.000 0.915 50 G HN 0.211 nan 8.290 nan 0.000 0.528 51 F N 1.011 120.984 119.950 0.038 0.000 2.202 51 F HA -0.008 4.517 4.527 -0.004 0.000 0.301 51 F C 2.369 178.147 175.800 -0.037 0.000 1.082 51 F CA 2.665 60.668 58.000 0.005 0.000 1.313 51 F CB 0.083 39.036 39.000 -0.078 0.000 1.024 51 F HN 0.432 nan 8.300 nan 0.000 0.495 52 D N -0.693 119.827 120.400 0.200 0.000 2.277 52 D HA -0.102 4.536 4.640 -0.004 0.000 0.208 52 D C 2.324 178.650 176.300 0.043 0.000 0.962 52 D CA 1.303 55.379 54.000 0.126 0.000 0.865 52 D CB -0.177 40.693 40.800 0.117 0.000 0.939 52 D HN 0.403 nan 8.370 nan 0.000 0.510 53 S N 0.554 116.295 115.700 0.069 0.000 2.453 53 S HA -0.034 4.434 4.470 -0.004 0.000 0.231 53 S C 1.227 175.897 174.600 0.117 0.000 1.005 53 S CA -0.002 58.281 58.200 0.137 0.000 0.949 53 S CB -0.287 63.060 63.200 0.246 0.000 0.774 53 S HN 0.148 nan 8.310 nan 0.000 0.510 54 I N 3.307 123.744 120.570 -0.221 0.000 2.517 54 I HA 0.107 4.275 4.170 -0.004 0.000 0.285 54 I C 0.266 176.153 176.117 -0.382 0.000 1.106 54 I CA -0.276 60.588 61.300 -0.727 0.000 1.402 54 I CB 0.196 37.565 38.000 -1.053 0.000 1.399 54 I HN 0.059 nan 8.210 nan 0.000 0.535 55 D N 6.111 126.400 120.400 -0.184 0.000 2.455 55 D HA -0.024 4.614 4.640 -0.004 0.000 0.241 55 D C 1.037 177.234 176.300 -0.171 0.000 1.138 55 D CA 0.334 54.292 54.000 -0.070 0.000 0.877 55 D CB 1.040 41.882 40.800 0.071 0.000 1.187 55 D HN 0.449 nan 8.370 nan 0.000 0.451 56 K N 0.522 120.848 120.400 -0.123 0.000 2.211 56 K HA -0.111 4.207 4.320 -0.004 0.000 0.203 56 K C 1.929 178.469 176.600 -0.100 0.000 1.050 56 K CA 1.222 57.429 56.287 -0.134 0.000 0.945 56 K CB 0.118 32.571 32.500 -0.077 0.000 0.732 56 K HN 0.528 nan 8.250 nan 0.000 0.451 57 T N -1.080 113.444 114.554 -0.050 0.000 2.942 57 T HA -0.066 4.282 4.350 -0.004 0.000 0.265 57 T C 1.318 176.022 174.700 0.007 0.000 1.062 57 T CA 0.958 63.051 62.100 -0.012 0.000 1.139 57 T CB -0.095 68.779 68.868 0.009 0.000 0.883 57 T HN -0.015 nan 8.240 nan 0.000 0.468 58 D N 1.393 121.796 120.400 0.006 0.000 2.084 58 D HA 0.008 4.646 4.640 -0.004 0.000 0.196 58 D C 2.037 178.270 176.300 -0.113 0.000 0.985 58 D CA 0.659 54.718 54.000 0.099 0.000 0.826 58 D CB -0.635 40.290 40.800 0.209 0.000 0.978 58 D HN 0.236 nan 8.370 nan 0.000 0.456 59 L N 0.969 121.881 121.223 -0.517 0.000 1.990 59 L HA -0.145 4.193 4.340 -0.004 0.000 0.213 59 L C 1.767 178.407 176.870 -0.383 0.000 1.072 59 L CA 1.899 56.231 54.840 -0.846 0.000 0.755 59 L CB -0.212 41.437 42.059 -0.683 0.000 0.889 59 L HN -0.099 nan 8.230 nan 0.000 0.432 60 R N -1.461 118.934 120.500 -0.174 0.000 2.317 60 R HA 0.224 4.562 4.340 -0.004 0.000 0.208 60 R C 1.243 177.557 176.300 0.024 0.000 0.914 60 R CA 0.454 56.524 56.100 -0.050 0.000 1.060 60 R CB 0.229 30.513 30.300 -0.027 0.000 1.015 60 R HN 0.603 nan 8.270 nan 0.000 0.498 61 G N -0.357 108.487 108.800 0.074 0.000 2.522 61 G HA2 -0.023 3.935 3.960 -0.004 0.000 0.177 61 G HA3 -0.023 3.935 3.960 -0.004 0.000 0.177 61 G C 0.993 176.095 174.900 0.336 0.000 1.298 61 G CA -0.316 44.894 45.100 0.184 0.000 0.670 61 G HN -0.006 nan 8.290 nan 0.000 0.664 62 R N -0.576 120.076 120.500 0.253 0.000 2.148 62 R HA 0.118 4.456 4.340 -0.004 0.000 0.227 62 R C 2.211 178.813 176.300 0.504 0.000 1.103 62 R CA 0.667 56.920 56.100 0.254 0.000 0.983 62 R CB -0.318 30.053 30.300 0.119 0.000 0.874 62 R HN 0.300 nan 8.270 nan 0.000 0.451 63 F N 0.938 121.021 119.950 0.221 0.000 2.161 63 F HA -0.189 4.336 4.527 -0.004 0.000 0.300 63 F C 2.160 178.115 175.800 0.258 0.000 1.089 63 F CA 1.413 59.548 58.000 0.225 0.000 1.282 63 F CB -0.203 38.849 39.000 0.087 0.000 1.010 63 F HN -0.056 nan 8.300 nan 0.000 0.485 64 R N -1.089 119.613 120.500 0.336 0.000 2.105 64 R HA -0.225 4.113 4.340 -0.004 0.000 0.239 64 R C 2.149 178.510 176.300 0.100 0.000 1.135 64 R CA 1.441 57.559 56.100 0.031 0.000 0.967 64 R CB -0.757 29.381 30.300 -0.269 0.000 0.861 64 R HN 0.380 nan 8.270 nan 0.000 0.442 65 W N -0.553 120.738 121.300 -0.016 0.000 2.560 65 W HA -0.172 4.486 4.660 -0.003 0.000 0.252 65 W C 0.158 176.404 176.519 -0.454 0.000 1.242 65 W CA 0.454 57.679 57.345 -0.201 0.000 1.242 65 W CB -0.051 29.270 29.460 -0.232 0.000 1.136 65 W HN 0.286 nan 8.180 nan 0.000 0.625 66 W N -0.196 121.244 121.300 0.234 0.000 2.653 66 W HA 0.368 5.026 4.660 -0.004 0.000 0.391 66 W C 1.391 178.036 176.519 0.209 0.000 0.962 66 W CA 0.428 57.895 57.345 0.203 0.000 1.900 66 W CB 0.008 29.631 29.460 0.270 0.000 1.176 66 W HN -0.042 nan 8.180 nan 0.000 0.582 67 G N 1.373 110.345 108.800 0.286 0.000 2.179 67 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.257 67 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.257 67 G C -0.299 174.785 174.900 0.308 0.000 1.010 67 G CA -0.152 45.114 45.100 0.276 0.000 0.736 67 G HN 0.222 nan 8.290 nan 0.000 0.513 68 L N 0.086 121.486 121.223 0.295 0.000 2.276 68 L HA 0.601 4.939 4.340 -0.004 0.000 0.286 68 L C -0.230 176.893 176.870 0.422 0.000 1.024 68 L CA -1.086 53.943 54.840 0.315 0.000 0.826 68 L CB 0.944 43.082 42.059 0.132 0.000 1.211 68 L HN 0.139 nan 8.230 nan 0.000 0.422 69 Y N 1.432 121.959 120.300 0.378 0.000 2.393 69 Y HA 0.274 4.822 4.550 -0.003 0.000 0.341 69 Y C 0.796 176.918 175.900 0.370 0.000 0.988 69 Y CA -0.262 58.027 58.100 0.315 0.000 1.078 69 Y CB 2.287 40.855 38.460 0.181 0.000 1.203 69 Y HN 0.372 nan 8.280 nan 0.000 0.453 70 T N 4.241 119.043 114.554 0.413 0.000 2.930 70 T HA 0.129 4.477 4.350 -0.004 0.000 0.306 70 T C -0.309 174.460 174.700 0.116 0.000 1.045 70 T CA -0.399 61.786 62.100 0.142 0.000 1.134 70 T CB 0.114 69.022 68.868 0.066 0.000 0.961 70 T HN 0.702 nan 8.240 nan 0.000 0.545 71 Q N 3.795 123.601 119.800 0.011 0.000 2.215 71 Q HA 0.464 4.802 4.340 -0.004 0.000 0.256 71 Q C -0.076 175.909 176.000 -0.025 0.000 0.972 71 Q CA -1.144 54.675 55.803 0.027 0.000 0.889 71 Q CB 1.099 29.840 28.738 0.006 0.000 1.281 71 Q HN 0.505 nan 8.270 nan 0.000 0.456 72 R N 1.515 122.009 120.500 -0.010 0.000 2.401 72 R HA 0.027 4.365 4.340 -0.004 0.000 0.299 72 R C -0.497 175.775 176.300 -0.047 0.000 1.064 72 R CA -0.208 55.869 56.100 -0.038 0.000 1.000 72 R CB 0.615 30.898 30.300 -0.028 0.000 0.973 72 R HN 0.754 nan 8.270 nan 0.000 0.438 73 E N 2.684 122.855 120.200 -0.048 0.000 2.418 73 E HA -0.068 4.280 4.350 -0.004 0.000 0.261 73 E C -0.511 176.166 176.600 0.128 0.000 1.070 73 E CA 0.207 56.624 56.400 0.028 0.000 0.931 73 E CB 0.687 30.399 29.700 0.020 0.000 0.954 73 E HN 0.353 nan 8.360 nan 0.000 0.439 74 Q N 1.580 121.447 119.800 0.112 0.000 2.394 74 Q HA 0.315 4.653 4.340 -0.004 0.000 0.248 74 Q C 0.935 176.922 176.000 -0.023 0.000 0.992 74 Q CA 0.847 56.684 55.803 0.056 0.000 0.888 74 Q CB 0.993 29.767 28.738 0.058 0.000 1.257 74 Q HN 0.894 nan 8.270 nan 0.000 0.462 75 G N 0.987 109.726 108.800 -0.101 0.000 2.217 75 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.246 75 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.246 75 G C -0.490 174.176 174.900 -0.390 0.000 0.990 75 G CA -0.113 44.823 45.100 -0.274 0.000 0.627 75 G HN 0.500 nan 8.290 nan 0.000 0.522 76 Y N 2.831 123.043 120.300 -0.146 0.000 2.327 76 Y HA 0.505 5.052 4.550 -0.004 0.000 0.336 76 Y C 0.797 176.737 175.900 0.068 0.000 1.035 76 Y CA -0.517 57.490 58.100 -0.154 0.000 1.165 76 Y CB 0.982 39.269 38.460 -0.288 0.000 1.181 76 Y HN 0.338 nan 8.280 nan 0.000 0.494 77 D N 0.896 121.513 120.400 0.360 0.000 2.539 77 D HA 0.181 4.819 4.640 -0.004 0.000 0.276 77 D C 1.477 177.977 176.300 0.334 0.000 1.206 77 D CA -0.498 53.665 54.000 0.271 0.000 1.081 77 D CB 0.279 41.185 40.800 0.177 0.000 1.142 77 D HN 0.606 nan 8.370 nan 0.000 0.595 78 G N -1.109 107.837 108.800 0.243 0.000 2.462 78 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.220 78 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.220 78 G C 1.315 176.374 174.900 0.266 0.000 1.121 78 G CA 1.581 46.880 45.100 0.331 0.000 0.758 78 G HN 0.591 nan 8.290 nan 0.000 0.559 79 T N -0.010 114.613 114.554 0.115 0.000 2.685 79 T HA -0.233 4.115 4.350 -0.004 0.000 0.268 79 T C 1.869 176.497 174.700 -0.119 0.000 1.034 79 T CA 1.580 63.624 62.100 -0.093 0.000 1.149 79 T CB -0.317 68.382 68.868 -0.282 0.000 0.860 79 T HN 0.637 nan 8.240 nan 0.000 0.449 80 W N 1.275 122.651 121.300 0.126 0.000 2.863 80 W HA 0.224 4.882 4.660 -0.004 0.000 0.258 80 W C 0.877 177.444 176.519 0.080 0.000 1.298 80 W CA -0.220 57.190 57.345 0.109 0.000 1.451 80 W CB -0.534 29.024 29.460 0.163 0.000 1.107 80 W HN -0.067 nan 8.180 nan 0.000 0.641 81 T N 1.459 116.201 114.554 0.314 0.000 2.817 81 T HA 0.455 4.803 4.350 -0.004 0.000 0.295 81 T C 0.395 175.227 174.700 0.219 0.000 0.958 81 T CA 0.880 63.105 62.100 0.209 0.000 1.157 81 T CB 0.233 69.166 68.868 0.109 0.000 0.898 81 T HN 0.217 nan 8.240 nan 0.000 0.536 82 G N 2.825 111.705 108.800 0.132 0.000 2.384 82 G HA2 0.266 4.223 3.960 -0.004 0.000 0.300 82 G HA3 0.266 4.223 3.960 -0.004 0.000 0.300 82 G C -0.210 174.735 174.900 0.076 0.000 1.582 82 G CA -0.847 44.323 45.100 0.115 0.000 0.875 82 G HN 0.473 nan 8.290 nan 0.000 0.628 83 D N 0.049 120.488 120.400 0.064 0.000 2.218 83 D HA -0.039 4.598 4.640 -0.004 0.000 0.204 83 D C 2.091 178.418 176.300 0.045 0.000 0.976 83 D CA 1.586 55.616 54.000 0.049 0.000 0.853 83 D CB 0.263 41.092 40.800 0.047 0.000 0.939 83 D HN 0.584 nan 8.370 nan 0.000 0.481 84 D N -0.090 120.340 120.400 0.050 0.000 2.264 84 D HA -0.116 4.522 4.640 -0.004 0.000 0.208 84 D C 0.892 177.227 176.300 0.058 0.000 0.966 84 D CA 0.583 54.612 54.000 0.048 0.000 0.864 84 D CB -0.158 40.669 40.800 0.045 0.000 0.933 84 D HN 0.171 nan 8.370 nan 0.000 0.499 85 N N 0.489 119.231 118.700 0.069 0.000 2.235 85 N HA 0.108 4.846 4.740 -0.004 0.000 0.209 85 N C 1.872 177.379 175.510 -0.005 0.000 1.122 85 N CA -0.131 52.964 53.050 0.074 0.000 0.845 85 N CB 0.482 39.068 38.487 0.164 0.000 1.004 85 N HN 0.336 nan 8.380 nan 0.000 0.499 86 I N 0.281 120.850 120.570 -0.001 0.000 2.121 86 I HA -0.340 3.828 4.170 -0.004 0.000 0.243 86 I C 1.440 177.523 176.117 -0.057 0.000 1.047 86 I CA 1.733 63.019 61.300 -0.023 0.000 1.308 86 I CB -0.665 37.334 38.000 -0.000 0.000 1.015 86 I HN -0.109 nan 8.210 nan 0.000 0.410 87 D N 0.699 121.074 120.400 -0.043 0.000 2.182 87 D HA -0.143 4.495 4.640 -0.004 0.000 0.201 87 D C 2.172 178.403 176.300 -0.114 0.000 0.986 87 D CA 1.014 54.984 54.000 -0.051 0.000 0.847 87 D CB -0.109 40.677 40.800 -0.023 0.000 0.942 87 D HN 0.289 nan 8.370 nan 0.000 0.467 88 K N 0.141 120.434 120.400 -0.180 0.000 2.031 88 K HA 0.042 4.359 4.320 -0.004 0.000 0.205 88 K C 2.138 178.399 176.600 -0.565 0.000 1.049 88 K CA 0.518 56.580 56.287 -0.374 0.000 0.939 88 K CB -0.471 31.726 32.500 -0.504 0.000 0.717 88 K HN 0.254 nan 8.250 nan 0.000 0.438 89 L N 0.965 121.902 121.223 -0.475 0.000 2.376 89 L HA -0.046 4.292 4.340 -0.004 0.000 0.219 89 L C 1.027 177.767 176.870 -0.217 0.000 1.133 89 L CA 0.308 54.909 54.840 -0.399 0.000 0.816 89 L CB -0.188 41.733 42.059 -0.230 0.000 0.933 89 L HN 0.154 nan 8.230 nan 0.000 0.449 90 E N 1.259 121.359 120.200 -0.167 0.000 2.003 90 E HA 0.347 4.694 4.350 -0.004 0.000 0.279 90 E C 0.085 176.577 176.600 -0.180 0.000 1.132 90 E CA -0.346 55.992 56.400 -0.104 0.000 0.888 90 E CB 0.705 30.390 29.700 -0.025 0.000 1.056 90 E HN 0.238 nan 8.360 nan 0.000 0.399 91 A N 4.256 126.954 122.820 -0.203 0.000 2.267 91 A HA 0.163 4.481 4.320 -0.004 0.000 0.271 91 A C 0.676 177.854 177.584 -0.677 0.000 1.131 91 A CA -0.284 51.577 52.037 -0.294 0.000 0.818 91 A CB 0.410 19.346 19.000 -0.107 0.000 1.118 91 A HN 0.809 nan 8.150 nan 0.000 0.501 92 K N -0.913 118.986 120.400 -0.835 0.000 2.504 92 K HA 0.203 4.520 4.320 -0.004 0.000 0.199 92 K C -1.220 174.842 176.600 -0.897 0.000 1.028 92 K CA 0.230 55.677 56.287 -1.399 0.000 1.164 92 K CB -0.207 31.650 32.500 -1.073 0.000 0.877 92 K HN 0.528 nan 8.250 nan 0.000 0.508 93 Y N -0.376 119.686 120.300 -0.396 0.000 2.598 93 Y HA 0.475 5.023 4.550 -0.003 0.000 0.340 93 Y C -0.585 175.089 175.900 -0.377 0.000 1.038 93 Y CA -1.355 56.626 58.100 -0.198 0.000 1.100 93 Y CB 1.311 39.739 38.460 -0.053 0.000 1.281 93 Y HN -0.162 nan 8.280 nan 0.000 0.488 94 F N 1.920 122.038 119.950 0.280 0.000 2.532 94 F HA 0.431 4.956 4.527 -0.004 0.000 0.321 94 F C 0.073 175.936 175.800 0.106 0.000 1.089 94 F CA -1.073 57.049 58.000 0.204 0.000 0.926 94 F CB 1.629 40.757 39.000 0.214 0.000 1.168 94 F HN 0.195 nan 8.300 nan 0.000 0.459 95 M N 5.194 124.948 119.600 0.258 0.000 2.200 95 M HA 0.353 4.831 4.480 -0.004 0.000 0.355 95 M C -1.304 175.073 176.300 0.129 0.000 1.283 95 M CA 0.141 55.425 55.300 -0.026 0.000 1.124 95 M CB 0.893 33.443 32.600 -0.083 0.000 1.625 95 M HN 0.831 nan 8.290 nan 0.000 0.463 96 M N 5.690 125.329 119.600 0.064 0.000 2.321 96 M HA 0.418 4.896 4.480 -0.004 0.000 0.315 96 M C -1.131 175.235 176.300 0.111 0.000 1.052 96 M CA -0.496 54.903 55.300 0.165 0.000 0.936 96 M CB 1.752 34.480 32.600 0.212 0.000 1.639 96 M HN 0.797 nan 8.290 nan 0.000 0.433 97 R N 4.251 124.827 120.500 0.127 0.000 2.310 97 R HA 0.607 4.944 4.340 -0.004 0.000 0.324 97 R C -1.857 174.503 176.300 0.100 0.000 0.955 97 R CA -0.536 55.596 56.100 0.053 0.000 0.830 97 R CB 1.329 31.673 30.300 0.074 0.000 1.154 97 R HN 0.619 nan 8.270 nan 0.000 0.458 98 V N 5.256 125.193 119.914 0.037 0.000 2.432 98 V HA 0.291 4.409 4.120 -0.004 0.000 0.275 98 V C 0.624 176.767 176.094 0.083 0.000 1.043 98 V CA -0.561 61.799 62.300 0.100 0.000 0.925 98 V CB 1.165 33.041 31.823 0.088 0.000 0.985 98 V HN 0.688 nan 8.190 nan 0.000 0.466 99 R N 3.726 124.286 120.500 0.100 0.000 2.296 99 R HA 0.301 4.639 4.340 -0.004 0.000 0.323 99 R C -0.982 175.357 176.300 0.066 0.000 1.067 99 R CA -0.217 55.924 56.100 0.068 0.000 0.946 99 R CB 0.262 30.594 30.300 0.054 0.000 0.991 99 R HN 0.814 nan 8.270 nan 0.000 0.448 100 C N 4.546 123.885 119.300 0.064 0.000 3.273 100 C HA 0.212 4.670 4.460 -0.004 0.000 0.227 100 C C -0.905 174.101 174.990 0.026 0.000 1.409 100 C CA -1.131 57.925 59.018 0.062 0.000 1.516 100 C CB -0.622 27.203 27.740 0.142 0.000 1.853 100 C HN 0.812 nan 8.230 nan 0.000 0.472 101 D N 0.925 121.321 120.400 -0.007 0.000 2.533 101 D HA 0.376 5.014 4.640 -0.004 0.000 0.236 101 D C 1.406 177.683 176.300 -0.038 0.000 1.137 101 D CA 1.998 55.978 54.000 -0.033 0.000 0.867 101 D CB 0.402 41.160 40.800 -0.069 0.000 1.170 101 D HN 0.783 nan 8.370 nan 0.000 0.474 102 G N 1.998 110.779 108.800 -0.032 0.000 2.175 102 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.265 102 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.265 102 G C 1.218 176.105 174.900 -0.022 0.000 0.979 102 G CA 0.438 45.520 45.100 -0.030 0.000 0.663 102 G HN 1.422 nan 8.290 nan 0.000 0.533 103 G N -1.360 107.439 108.800 -0.000 0.000 2.196 103 G HA2 0.116 4.074 3.960 -0.004 0.000 0.268 103 G HA3 0.116 4.074 3.960 -0.004 0.000 0.268 103 G C 0.736 175.554 174.900 -0.137 0.000 0.975 103 G CA 1.455 46.555 45.100 -0.001 0.000 0.648 103 G HN 2.357 nan 8.290 nan 0.000 0.538 104 A N 0.052 122.804 122.820 -0.113 0.000 2.289 104 A HA 0.814 5.132 4.320 -0.004 0.000 0.298 104 A C 0.092 177.585 177.584 -0.152 0.000 1.208 104 A CA -0.101 51.853 52.037 -0.137 0.000 0.845 104 A CB 0.558 19.504 19.000 -0.090 0.000 1.125 104 A HN 0.865 nan 8.150 nan 0.000 0.517 105 L N 1.908 123.016 121.223 -0.193 0.000 2.393 105 L HA 0.551 4.889 4.340 -0.004 0.000 0.260 105 L C 0.590 177.390 176.870 -0.117 0.000 1.002 105 L CA -0.804 53.940 54.840 -0.160 0.000 0.818 105 L CB 2.426 44.344 42.059 -0.235 0.000 1.369 105 L HN 0.808 nan 8.230 nan 0.000 0.412 106 S N 0.281 115.938 115.700 -0.072 0.000 2.681 106 S HA 0.529 4.997 4.470 -0.004 0.000 0.270 106 S C 0.990 175.564 174.600 -0.043 0.000 1.209 106 S CA 0.012 58.182 58.200 -0.049 0.000 0.988 106 S CB 1.595 64.778 63.200 -0.028 0.000 1.006 106 S HN 0.730 nan 8.310 nan 0.000 0.558 107 A N 0.961 123.764 122.820 -0.028 0.000 1.898 107 A HA 0.209 4.527 4.320 -0.004 0.000 0.216 107 A C 2.390 179.974 177.584 -0.000 0.000 1.181 107 A CA 1.669 53.696 52.037 -0.015 0.000 0.620 107 A CB -1.733 17.262 19.000 -0.009 0.000 0.819 107 A HN 1.327 nan 8.150 nan 0.000 0.442 108 A N -0.027 122.794 122.820 0.002 0.000 1.908 108 A HA 0.112 4.430 4.320 -0.004 0.000 0.218 108 A C 2.497 180.096 177.584 0.025 0.000 1.181 108 A CA 2.219 54.265 52.037 0.014 0.000 0.627 108 A CB -1.005 18.003 19.000 0.012 0.000 0.818 108 A HN 1.064 nan 8.150 nan 0.000 0.445 109 A N -0.812 122.019 122.820 0.018 0.000 1.930 109 A HA 0.010 4.328 4.320 -0.004 0.000 0.217 109 A C 2.128 179.742 177.584 0.051 0.000 1.175 109 A CA 1.617 53.675 52.037 0.034 0.000 0.627 109 A CB -0.549 18.459 19.000 0.013 0.000 0.815 109 A HN 0.621 nan 8.150 nan 0.000 0.443 110 L N -0.272 120.967 121.223 0.027 0.000 2.093 110 L HA -0.081 4.257 4.340 -0.004 0.000 0.208 110 L C 2.465 179.384 176.870 0.082 0.000 1.085 110 L CA 2.123 56.994 54.840 0.053 0.000 0.755 110 L CB -0.441 41.626 42.059 0.012 0.000 0.904 110 L HN 0.462 nan 8.230 nan 0.000 0.435 111 R N -1.349 119.186 120.500 0.059 0.000 2.081 111 R HA -0.151 4.187 4.340 -0.004 0.000 0.235 111 R C 1.996 178.339 176.300 0.072 0.000 1.131 111 R CA 1.946 58.081 56.100 0.058 0.000 0.960 111 R CB -0.382 29.941 30.300 0.038 0.000 0.856 111 R HN 0.385 nan 8.270 nan 0.000 0.436 112 T N 1.835 116.437 114.554 0.080 0.000 2.674 112 T HA -0.136 4.212 4.350 -0.004 0.000 0.265 112 T C 1.704 176.491 174.700 0.145 0.000 1.039 112 T CA 1.164 63.322 62.100 0.096 0.000 1.150 112 T CB -0.219 68.708 68.868 0.099 0.000 0.864 112 T HN 0.061 nan 8.240 nan 0.000 0.427 113 L N 1.328 122.664 121.223 0.188 0.000 2.051 113 L HA -0.083 4.255 4.340 -0.004 0.000 0.214 113 L C 2.783 179.819 176.870 0.277 0.000 1.076 113 L CA 1.905 56.918 54.840 0.289 0.000 0.758 113 L CB -1.579 40.631 42.059 0.251 0.000 0.890 113 L HN 0.410 nan 8.230 nan 0.000 0.433 114 G N -1.972 106.933 108.800 0.176 0.000 2.402 114 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.216 114 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.216 114 G C 1.534 176.490 174.900 0.094 0.000 1.162 114 G CA 0.498 45.681 45.100 0.138 0.000 0.777 114 G HN 0.457 nan 8.290 nan 0.000 0.539 115 Q N -0.370 119.464 119.800 0.057 0.000 2.083 115 Q HA 0.001 4.339 4.340 -0.004 0.000 0.198 115 Q C 2.607 178.554 176.000 -0.088 0.000 0.969 115 Q CA 0.602 56.394 55.803 -0.018 0.000 0.838 115 Q CB -0.126 28.599 28.738 -0.022 0.000 0.900 115 Q HN 0.337 nan 8.270 nan 0.000 0.436 116 I N 0.672 121.224 120.570 -0.029 0.000 2.113 116 I HA -0.322 3.846 4.170 -0.004 0.000 0.242 116 I C 2.439 178.451 176.117 -0.175 0.000 1.064 116 I CA 1.576 62.824 61.300 -0.087 0.000 1.320 116 I CB -1.662 36.316 38.000 -0.038 0.000 1.028 116 I HN 0.168 nan 8.210 nan 0.000 0.406 117 S N 0.034 115.724 115.700 -0.016 0.000 2.348 117 S HA -0.174 4.294 4.470 -0.004 0.000 0.221 117 S C 2.108 176.725 174.600 0.028 0.000 1.033 117 S CA 2.227 60.480 58.200 0.088 0.000 1.010 117 S CB -0.376 63.029 63.200 0.342 0.000 0.891 117 S HN 0.540 nan 8.310 nan 0.000 0.442 118 T N 1.220 115.773 114.554 -0.001 0.000 2.759 118 T HA -0.078 4.270 4.350 -0.004 0.000 0.269 118 T C 1.796 176.437 174.700 -0.098 0.000 1.042 118 T CA 1.536 63.618 62.100 -0.030 0.000 1.140 118 T CB -0.273 68.575 68.868 -0.034 0.000 0.864 118 T HN 0.533 nan 8.240 nan 0.000 0.455 119 E N -0.649 119.417 120.200 -0.224 0.000 2.166 119 E HA 0.110 4.458 4.350 -0.004 0.000 0.192 119 E C 1.095 177.482 176.600 -0.356 0.000 0.967 119 E CA 0.380 56.544 56.400 -0.392 0.000 0.840 119 E CB 0.192 29.460 29.700 -0.720 0.000 0.795 119 E HN 0.581 nan 8.360 nan 0.000 0.470 120 F N -1.237 118.674 119.950 -0.064 0.000 2.724 120 F HA 0.356 4.881 4.527 -0.004 0.000 0.306 120 F C 1.374 177.161 175.800 -0.022 0.000 1.100 120 F CA -0.021 57.942 58.000 -0.061 0.000 1.255 120 F CB 1.127 40.047 39.000 -0.134 0.000 1.072 120 F HN -0.014 nan 8.300 nan 0.000 0.589 121 A N 0.160 123.064 122.820 0.140 0.000 2.571 121 A HA 0.347 4.665 4.320 -0.004 0.000 0.274 121 A C 0.946 178.664 177.584 0.223 0.000 1.196 121 A CA -0.322 51.834 52.037 0.198 0.000 0.957 121 A CB -0.187 18.923 19.000 0.183 0.000 1.150 121 A HN 0.293 nan 8.150 nan 0.000 0.539 122 R N -0.497 120.066 120.500 0.106 0.000 3.641 122 R HA -0.242 4.096 4.340 -0.004 0.000 0.286 122 R C -0.016 176.321 176.300 0.063 0.000 1.153 122 R CA 0.763 56.870 56.100 0.011 0.000 0.775 122 R CB -2.198 27.998 30.300 -0.172 0.000 1.215 122 R HN 0.490 nan 8.270 nan 0.000 0.474 123 D N -1.397 119.060 120.400 0.095 0.000 3.077 123 D HA -0.134 4.504 4.640 -0.004 0.000 0.212 123 D C -0.073 176.329 176.300 0.170 0.000 1.125 123 D CA 1.969 56.034 54.000 0.108 0.000 0.970 123 D CB -0.513 40.324 40.800 0.061 0.000 1.110 123 D HN 0.644 nan 8.370 nan 0.000 0.419 124 T N -1.506 113.195 114.554 0.245 0.000 2.901 124 T HA 0.610 4.958 4.350 -0.004 0.000 0.301 124 T C 0.159 175.014 174.700 0.259 0.000 1.012 124 T CA 0.113 62.385 62.100 0.285 0.000 1.135 124 T CB 1.942 71.040 68.868 0.383 0.000 0.936 124 T HN 0.736 nan 8.240 nan 0.000 0.539 125 A N 3.025 125.945 122.820 0.166 0.000 2.513 125 A HA 0.557 4.875 4.320 -0.004 0.000 0.285 125 A C -1.412 176.167 177.584 -0.009 0.000 1.047 125 A CA -0.966 51.102 52.037 0.051 0.000 0.864 125 A CB 1.198 20.239 19.000 0.069 0.000 1.373 125 A HN 0.765 nan 8.150 nan 0.000 0.403 126 D N 2.002 122.357 120.400 -0.076 0.000 2.629 126 D HA 0.488 5.126 4.640 -0.004 0.000 0.250 126 D C -0.690 175.491 176.300 -0.199 0.000 1.126 126 D CA -0.100 53.854 54.000 -0.077 0.000 0.852 126 D CB 1.945 42.758 40.800 0.021 0.000 1.335 126 D HN 0.368 nan 8.370 nan 0.000 0.518 127 I N 1.895 122.318 120.570 -0.246 0.000 2.396 127 I HA 0.037 4.205 4.170 -0.004 0.000 0.289 127 I C 1.210 177.193 176.117 -0.223 0.000 1.056 127 I CA 0.080 61.146 61.300 -0.389 0.000 1.365 127 I CB 0.655 38.390 38.000 -0.442 0.000 1.407 127 I HN 0.242 nan 8.210 nan 0.000 0.509 128 S N 3.647 119.220 115.700 -0.212 0.000 2.614 128 S HA 0.162 4.630 4.470 -0.004 0.000 0.265 128 S C 0.624 175.161 174.600 -0.105 0.000 1.303 128 S CA -0.513 57.611 58.200 -0.128 0.000 1.000 128 S CB 0.901 64.031 63.200 -0.118 0.000 0.935 128 S HN 0.679 nan 8.310 nan 0.000 0.551 129 D N -0.491 119.853 120.400 -0.094 0.000 2.325 129 D HA 0.056 4.694 4.640 -0.004 0.000 0.234 129 D C 0.709 176.929 176.300 -0.133 0.000 1.122 129 D CA -0.033 53.894 54.000 -0.121 0.000 0.850 129 D CB -0.297 40.418 40.800 -0.141 0.000 0.921 129 D HN 0.583 nan 8.370 nan 0.000 0.513 130 R N 0.016 120.463 120.500 -0.088 0.000 2.662 130 R HA 0.189 4.526 4.340 -0.004 0.000 0.396 130 R C -0.046 176.246 176.300 -0.014 0.000 1.096 130 R CA -0.182 55.879 56.100 -0.063 0.000 1.081 130 R CB 0.203 30.468 30.300 -0.059 0.000 1.382 130 R HN 0.061 nan 8.270 nan 0.000 0.580 131 Q N -0.821 118.986 119.800 0.011 0.000 2.424 131 Q HA -0.177 4.161 4.340 -0.004 0.000 0.234 131 Q C -0.524 175.584 176.000 0.180 0.000 0.748 131 Q CA 0.768 56.647 55.803 0.126 0.000 1.286 131 Q CB -1.111 27.703 28.738 0.127 0.000 1.494 131 Q HN 0.310 nan 8.270 nan 0.000 0.683 132 N N 0.446 119.162 118.700 0.027 0.000 2.476 132 N HA 0.536 5.274 4.740 -0.004 0.000 0.275 132 N C -0.009 175.365 175.510 -0.227 0.000 1.190 132 N CA -0.082 52.963 53.050 -0.009 0.000 0.977 132 N CB 1.264 39.732 38.487 -0.032 0.000 1.200 132 N HN 0.114 nan 8.380 nan 0.000 0.515 133 V N -1.651 118.126 119.914 -0.228 0.000 2.630 133 V HA 0.575 4.693 4.120 -0.004 0.000 0.305 133 V C -0.337 175.542 176.094 -0.358 0.000 1.046 133 V CA -0.803 61.269 62.300 -0.379 0.000 0.934 133 V CB 1.577 33.149 31.823 -0.418 0.000 1.003 133 V HN 0.453 nan 8.190 nan 0.000 0.451 134 Q N 1.679 121.254 119.800 -0.377 0.000 2.356 134 Q HA 0.572 4.910 4.340 -0.004 0.000 0.270 134 Q C -1.868 173.891 176.000 -0.402 0.000 1.058 134 Q CA -0.564 55.020 55.803 -0.364 0.000 0.802 134 Q CB 2.828 31.398 28.738 -0.279 0.000 1.303 134 Q HN 0.825 nan 8.270 nan 0.000 0.444 135 Y N 0.194 120.366 120.300 -0.213 0.000 2.453 135 Y HA 0.438 4.986 4.550 -0.003 0.000 0.326 135 Y C 0.048 175.688 175.900 -0.432 0.000 1.186 135 Y CA -0.321 57.678 58.100 -0.168 0.000 1.200 135 Y CB 1.293 39.737 38.460 -0.027 0.000 1.247 135 Y HN 0.621 nan 8.280 nan 0.000 0.482 136 H N -2.153 116.917 119.070 -0.001 0.000 2.906 136 H HA 0.314 4.868 4.556 -0.004 0.000 0.337 136 H C -1.346 173.962 175.328 -0.034 0.000 1.257 136 H CA -1.359 54.485 56.048 -0.340 0.000 1.192 136 H CB 1.063 30.041 29.762 -1.306 0.000 1.912 136 H HN 0.713 nan 8.280 nan 0.000 0.573 137 W N -0.025 121.297 121.300 0.036 0.000 4.849 137 W HA -0.194 4.464 4.660 -0.004 0.000 0.358 137 W C -0.882 175.745 176.519 0.180 0.000 1.331 137 W CA 0.032 57.358 57.345 -0.031 0.000 0.844 137 W CB -1.612 27.782 29.460 -0.111 0.000 2.434 137 W HN 0.222 nan 8.180 nan 0.000 1.458 138 I N 1.095 121.915 120.570 0.416 0.000 2.396 138 I HA 0.164 4.332 4.170 -0.004 0.000 0.292 138 I C 0.816 177.249 176.117 0.526 0.000 0.999 138 I CA -0.388 61.141 61.300 0.381 0.000 1.310 138 I CB 0.853 38.988 38.000 0.226 0.000 1.404 138 I HN -0.086 nan 8.210 nan 0.000 0.496 139 E N 5.430 125.853 120.200 0.373 0.000 2.171 139 E HA 0.130 4.477 4.350 -0.004 0.000 0.271 139 E C 0.580 177.282 176.600 0.171 0.000 0.916 139 E CA -0.507 56.090 56.400 0.330 0.000 0.774 139 E CB 2.681 32.521 29.700 0.234 0.000 1.128 139 E HN 0.444 nan 8.360 nan 0.000 0.403 140 V N 3.550 123.610 119.914 0.243 0.000 2.313 140 V HA -0.387 3.730 4.120 -0.004 0.000 0.253 140 V C 1.495 177.539 176.094 -0.083 0.000 1.070 140 V CA 2.544 64.846 62.300 0.003 0.000 1.057 140 V CB -0.315 31.584 31.823 0.127 0.000 0.653 140 V HN 0.718 nan 8.190 nan 0.000 0.450 141 E N 0.740 120.935 120.200 -0.009 0.000 2.200 141 E HA -0.262 4.086 4.350 -0.004 0.000 0.211 141 E C 1.823 178.325 176.600 -0.163 0.000 1.048 141 E CA 2.232 58.602 56.400 -0.050 0.000 0.851 141 E CB -0.431 29.267 29.700 -0.004 0.000 0.747 141 E HN 0.742 nan 8.360 nan 0.000 0.462 142 N N -0.433 118.111 118.700 -0.259 0.000 2.353 142 N HA 0.009 4.747 4.740 -0.004 0.000 0.185 142 N C 1.384 176.541 175.510 -0.587 0.000 1.098 142 N CA 0.318 53.064 53.050 -0.507 0.000 0.872 142 N CB 0.578 38.593 38.487 -0.786 0.000 0.970 142 N HN 0.039 nan 8.380 nan 0.000 0.467 143 V N 2.305 121.891 119.914 -0.546 0.000 2.407 143 V HA -0.121 3.997 4.120 -0.004 0.000 0.248 143 V C -0.684 174.878 176.094 -0.887 0.000 1.055 143 V CA 1.680 63.495 62.300 -0.809 0.000 1.049 143 V CB -1.285 29.948 31.823 -0.983 0.000 0.662 143 V HN 0.191 nan 8.190 nan 0.000 0.455 144 P HA -0.110 nan 4.420 nan 0.000 0.216 144 P C 1.702 178.936 177.300 -0.111 0.000 1.153 144 P CA 1.063 64.040 63.100 -0.205 0.000 0.844 144 P CB 0.016 31.651 31.700 -0.109 0.000 0.787 145 E N -0.036 120.052 120.200 -0.188 0.000 2.058 145 E HA -0.165 4.183 4.350 -0.004 0.000 0.194 145 E C 2.021 178.590 176.600 -0.052 0.000 0.997 145 E CA 1.135 57.473 56.400 -0.104 0.000 0.801 145 E CB -0.658 28.950 29.700 -0.153 0.000 0.746 145 E HN 0.216 nan 8.360 nan 0.000 0.450 146 I N -0.290 120.162 120.570 -0.197 0.000 2.142 146 I HA -0.295 3.873 4.170 -0.004 0.000 0.240 146 I C 2.365 178.539 176.117 0.094 0.000 1.078 146 I CA 1.035 62.292 61.300 -0.071 0.000 1.343 146 I CB -0.467 37.392 38.000 -0.234 0.000 1.046 146 I HN 0.218 nan 8.210 nan 0.000 0.405 147 W N 1.127 122.402 121.300 -0.042 0.000 2.331 147 W HA -0.188 4.470 4.660 -0.004 0.000 0.291 147 W C 2.798 179.314 176.519 -0.005 0.000 1.214 147 W CA 1.087 58.417 57.345 -0.025 0.000 1.228 147 W CB -0.862 28.540 29.460 -0.097 0.000 1.135 147 W HN 0.167 nan 8.180 nan 0.000 0.537 148 R N 0.369 120.998 120.500 0.216 0.000 2.073 148 R HA -0.080 4.258 4.340 -0.004 0.000 0.229 148 R C 2.249 178.618 176.300 0.116 0.000 1.120 148 R CA 0.978 57.157 56.100 0.132 0.000 0.967 148 R CB -0.223 30.132 30.300 0.091 0.000 0.862 148 R HN 0.166 nan 8.270 nan 0.000 0.436 149 R N 0.225 120.801 120.500 0.126 0.000 2.092 149 R HA -0.041 4.297 4.340 -0.004 0.000 0.231 149 R C 2.447 178.824 176.300 0.128 0.000 1.119 149 R CA 0.903 57.074 56.100 0.119 0.000 0.970 149 R CB -0.334 30.046 30.300 0.133 0.000 0.864 149 R HN 0.219 nan 8.270 nan 0.000 0.440 150 L N 0.634 121.956 121.223 0.165 0.000 2.017 150 L HA -0.200 4.138 4.340 -0.004 0.000 0.208 150 L C 2.161 179.111 176.870 0.134 0.000 1.073 150 L CA 1.552 56.497 54.840 0.176 0.000 0.745 150 L CB -0.490 41.718 42.059 0.247 0.000 0.894 150 L HN 0.150 nan 8.230 nan 0.000 0.432 151 D N -0.095 120.381 120.400 0.126 0.000 2.178 151 D HA -0.247 4.391 4.640 -0.004 0.000 0.201 151 D C 1.668 178.004 176.300 0.060 0.000 0.980 151 D CA 0.927 54.975 54.000 0.080 0.000 0.842 151 D CB 0.030 40.867 40.800 0.062 0.000 0.948 151 D HN 0.152 nan 8.370 nan 0.000 0.472 152 D N -1.023 119.417 120.400 0.067 0.000 2.371 152 D HA -0.080 4.558 4.640 -0.004 0.000 0.221 152 D C 1.118 177.445 176.300 0.045 0.000 0.986 152 D CA 0.733 54.763 54.000 0.050 0.000 0.899 152 D CB 0.350 41.182 40.800 0.053 0.000 0.902 152 D HN 0.231 nan 8.370 nan 0.000 0.530 153 V N -4.749 115.197 119.914 0.053 0.000 3.166 153 V HA 0.573 4.691 4.120 -0.004 0.000 0.332 153 V C 1.174 177.289 176.094 0.035 0.000 1.434 153 V CA 0.013 62.338 62.300 0.042 0.000 1.121 153 V CB 0.157 32.009 31.823 0.049 0.000 1.062 153 V HN 0.070 nan 8.190 nan 0.000 0.489 154 G N 0.982 109.803 108.800 0.035 0.000 2.141 154 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.242 154 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.242 154 G C -0.211 174.708 174.900 0.032 0.000 0.982 154 G CA 0.458 45.571 45.100 0.022 0.000 0.662 154 G HN 0.579 nan 8.290 nan 0.000 0.527 155 L N 0.182 121.442 121.223 0.062 0.000 2.334 155 L HA 0.792 5.130 4.340 -0.004 0.000 0.272 155 L C 0.521 177.457 176.870 0.111 0.000 1.020 155 L CA -0.920 53.971 54.840 0.086 0.000 0.812 155 L CB 1.790 43.918 42.059 0.115 0.000 1.264 155 L HN 0.519 nan 8.230 nan 0.000 0.439 156 Q N -0.779 119.091 119.800 0.118 0.000 2.565 156 Q HA 0.468 4.806 4.340 -0.004 0.000 0.294 156 Q C -0.567 175.547 176.000 0.189 0.000 1.005 156 Q CA -0.742 55.145 55.803 0.140 0.000 0.771 156 Q CB 1.866 30.649 28.738 0.076 0.000 1.486 156 Q HN 0.571 nan 8.270 nan 0.000 0.422 157 T N -3.353 111.364 114.554 0.271 0.000 3.132 157 T HA 0.186 4.534 4.350 -0.004 0.000 0.274 157 T C -0.001 174.807 174.700 0.179 0.000 1.011 157 T CA -0.183 62.101 62.100 0.305 0.000 0.899 157 T CB -0.041 69.147 68.868 0.533 0.000 1.089 157 T HN 0.522 nan 8.240 nan 0.000 0.543 158 T N 3.539 118.108 114.554 0.025 0.000 2.867 158 T HA 0.170 4.518 4.350 -0.004 0.000 0.297 158 T C 0.403 174.977 174.700 -0.209 0.000 0.989 158 T CA 0.170 62.095 62.100 -0.291 0.000 1.159 158 T CB 0.029 68.716 68.868 -0.302 0.000 0.928 158 T HN 0.562 nan 8.240 nan 0.000 0.538 159 E N 0.152 120.173 120.200 -0.297 0.000 2.539 159 E HA -0.311 4.037 4.350 -0.004 0.000 0.253 159 E C 1.187 177.709 176.600 -0.129 0.000 1.145 159 E CA 0.356 56.615 56.400 -0.236 0.000 0.738 159 E CB -1.283 28.329 29.700 -0.148 0.000 1.308 159 E HN 0.789 nan 8.360 nan 0.000 0.409 160 A N -0.906 121.878 122.820 -0.061 0.000 1.970 160 A HA 0.023 4.340 4.320 -0.004 0.000 0.216 160 A C 1.258 178.863 177.584 0.036 0.000 1.170 160 A CA 0.984 53.030 52.037 0.016 0.000 0.645 160 A CB 0.437 19.486 19.000 0.082 0.000 0.816 160 A HN 0.424 nan 8.150 nan 0.000 0.447 161 C N -2.958 116.356 119.300 0.023 0.000 2.668 161 C HA 0.773 5.231 4.460 -0.004 0.000 0.355 161 C C 0.820 175.631 174.990 -0.298 0.000 1.277 161 C CA 0.395 59.449 59.018 0.061 0.000 1.787 161 C CB 0.976 28.843 27.740 0.213 0.000 2.233 161 C HN 1.396 nan 8.230 nan 0.000 0.495 162 G N 1.487 110.059 108.800 -0.380 0.000 2.525 162 G HA2 -0.025 3.933 3.960 -0.004 0.000 0.685 162 G HA3 -0.025 3.933 3.960 -0.004 0.000 0.685 162 G C -1.466 172.991 174.900 -0.737 0.000 1.290 162 G CA -0.628 43.894 45.100 -0.963 0.000 0.915 162 G HN 0.618 nan 8.290 nan 0.000 0.548 163 D N 1.198 121.062 120.400 -0.894 0.000 2.619 163 D HA 0.504 5.142 4.640 -0.004 0.000 0.224 163 D C 0.732 176.974 176.300 -0.097 0.000 1.133 163 D CA 0.980 54.856 54.000 -0.207 0.000 1.017 163 D CB -0.784 40.091 40.800 0.125 0.000 1.077 163 D HN 1.163 nan 8.370 nan 0.000 0.503 164 C N -1.123 118.108 119.300 -0.115 0.000 3.165 164 C HA 0.472 4.930 4.460 -0.004 0.000 0.345 164 C C -2.995 172.032 174.990 0.062 0.000 1.367 164 C CA -1.897 57.111 59.018 -0.017 0.000 1.205 164 C CB 0.941 28.599 27.740 -0.138 0.000 1.447 164 C HN 0.077 nan 8.230 nan 0.000 0.451 165 P HA 0.318 nan 4.420 nan 0.000 0.271 165 P C -0.247 177.140 177.300 0.145 0.000 1.226 165 P CA 0.371 63.643 63.100 0.286 0.000 0.765 165 P CB 0.401 32.373 31.700 0.454 0.000 0.835 166 R N 1.865 122.436 120.500 0.118 0.000 2.571 166 R HA 0.292 4.630 4.340 -0.004 0.000 0.259 166 R C 0.060 176.387 176.300 0.045 0.000 1.226 166 R CA -1.036 55.090 56.100 0.044 0.000 1.157 166 R CB -0.461 29.848 30.300 0.015 0.000 1.220 166 R HN 0.310 nan 8.270 nan 0.000 0.605 167 V N -0.382 119.542 119.914 0.016 0.000 2.832 167 V HA -0.055 4.063 4.120 -0.004 0.000 0.299 167 V C 0.552 176.647 176.094 0.002 0.000 1.201 167 V CA -0.220 62.083 62.300 0.004 0.000 1.325 167 V CB -0.564 31.260 31.823 0.001 0.000 0.871 167 V HN 0.278 nan 8.190 nan 0.000 0.509 168 V N 6.497 126.398 119.914 -0.021 0.000 2.432 168 V HA 0.298 4.416 4.120 -0.004 0.000 0.271 168 V C 0.497 176.574 176.094 -0.028 0.000 1.046 168 V CA -0.452 61.828 62.300 -0.033 0.000 0.945 168 V CB 0.772 32.528 31.823 -0.112 0.000 0.992 168 V HN 0.738 nan 8.190 nan 0.000 0.471 169 L N 4.448 125.664 121.223 -0.013 0.000 2.417 169 L HA 0.696 5.034 4.340 -0.004 0.000 0.268 169 L C 0.836 177.704 176.870 -0.004 0.000 1.158 169 L CA 0.211 55.047 54.840 -0.007 0.000 0.819 169 L CB 0.583 42.636 42.059 -0.010 0.000 1.112 169 L HN 0.777 nan 8.230 nan 0.000 0.458 170 G N 0.121 108.922 108.800 0.003 0.000 2.660 170 G HA2 0.355 4.313 3.960 -0.004 0.000 0.294 170 G HA3 0.355 4.313 3.960 -0.004 0.000 0.294 170 G C -1.073 173.841 174.900 0.023 0.000 1.369 170 G CA -0.488 44.614 45.100 0.004 0.000 0.912 170 G HN 0.484 nan 8.290 nan 0.000 0.479 171 S N 0.870 116.586 115.700 0.027 0.000 2.546 171 S HA 0.160 4.628 4.470 -0.004 0.000 0.290 171 S C -0.922 173.660 174.600 -0.029 0.000 1.262 171 S CA -0.553 57.669 58.200 0.036 0.000 1.083 171 S CB 0.856 64.075 63.200 0.032 0.000 0.859 171 S HN 0.257 nan 8.310 nan 0.000 0.495 172 P HA -0.021 nan 4.420 nan 0.000 0.226 172 P C 0.225 177.391 177.300 -0.224 0.000 1.146 172 P CA 0.854 63.882 63.100 -0.120 0.000 0.773 172 P CB 0.102 31.745 31.700 -0.094 0.000 0.772 173 L N -1.868 119.181 121.223 -0.289 0.000 3.218 173 L HA 0.337 4.674 4.340 -0.004 0.000 0.279 173 L C 0.483 177.291 176.870 -0.103 0.000 1.287 173 L CA -0.574 54.133 54.840 -0.222 0.000 1.024 173 L CB -0.307 41.568 42.059 -0.306 0.000 1.409 173 L HN -0.228 nan 8.230 nan 0.000 0.580 174 A N -0.128 122.649 122.820 -0.072 0.000 2.545 174 A HA 0.434 4.752 4.320 -0.004 0.000 0.253 174 A C 1.553 179.122 177.584 -0.025 0.000 1.074 174 A CA 0.835 52.853 52.037 -0.031 0.000 0.760 174 A CB -0.462 18.524 19.000 -0.023 0.000 1.005 174 A HN 0.796 nan 8.150 nan 0.000 0.506 175 G N 1.768 110.562 108.800 -0.010 0.000 2.176 175 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.253 175 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.253 175 G C 0.397 175.291 174.900 -0.010 0.000 0.979 175 G CA 0.606 45.703 45.100 -0.006 0.000 0.641 175 G HN 0.730 nan 8.290 nan 0.000 0.530 176 E N -0.403 119.785 120.200 -0.019 0.000 2.603 176 E HA 0.184 4.532 4.350 -0.004 0.000 0.224 176 E C 0.869 177.462 176.600 -0.011 0.000 0.896 176 E CA 0.500 56.889 56.400 -0.018 0.000 1.224 176 E CB 0.530 30.212 29.700 -0.029 0.000 1.206 176 E HN 0.365 nan 8.360 nan 0.000 0.576 177 S N 1.196 116.890 115.700 -0.010 0.000 2.549 177 S HA 0.126 4.594 4.470 -0.004 0.000 0.283 177 S C 1.420 176.034 174.600 0.024 0.000 1.320 177 S CA -0.252 57.957 58.200 0.014 0.000 1.058 177 S CB 0.344 63.565 63.200 0.036 0.000 0.882 177 S HN 0.156 nan 8.310 nan 0.000 0.498 178 L N 3.095 124.336 121.223 0.029 0.000 2.362 178 L HA -0.003 4.334 4.340 -0.004 0.000 0.219 178 L C 0.809 177.700 176.870 0.034 0.000 1.134 178 L CA 0.825 55.682 54.840 0.028 0.000 0.807 178 L CB -0.204 41.870 42.059 0.026 0.000 0.927 178 L HN 0.607 nan 8.230 nan 0.000 0.447 179 D N -0.924 119.502 120.400 0.045 0.000 2.431 179 D HA 0.034 4.671 4.640 -0.004 0.000 0.213 179 D C 0.346 176.677 176.300 0.052 0.000 1.130 179 D CA -0.021 54.007 54.000 0.047 0.000 0.834 179 D CB 0.223 41.054 40.800 0.051 0.000 0.985 179 D HN 0.456 nan 8.370 nan 0.000 0.504 180 E N 0.510 120.740 120.200 0.050 0.000 2.344 180 E HA 0.155 4.503 4.350 -0.004 0.000 0.270 180 E C 1.018 177.648 176.600 0.051 0.000 1.021 180 E CA -0.414 56.016 56.400 0.050 0.000 0.887 180 E CB 1.846 31.570 29.700 0.041 0.000 0.997 180 E HN -0.262 nan 8.360 nan 0.000 0.429 181 V N 3.483 123.432 119.914 0.059 0.000 2.332 181 V HA -0.163 3.955 4.120 -0.004 0.000 0.248 181 V C 1.107 177.244 176.094 0.071 0.000 1.055 181 V CA 2.101 64.445 62.300 0.073 0.000 1.038 181 V CB -1.268 30.611 31.823 0.094 0.000 0.651 181 V HN 0.758 nan 8.190 nan 0.000 0.450 182 L N -3.294 117.965 121.223 0.059 0.000 2.828 182 L HA 0.702 5.040 4.340 -0.004 0.000 0.264 182 L C -1.773 175.118 176.870 0.035 0.000 1.106 182 L CA -0.961 53.907 54.840 0.047 0.000 0.955 182 L CB 2.009 44.099 42.059 0.051 0.000 1.558 182 L HN -0.107 nan 8.230 nan 0.000 0.386 183 D N 1.358 121.776 120.400 0.029 0.000 2.460 183 D HA 0.461 5.098 4.640 -0.004 0.000 0.232 183 D C -2.054 174.270 176.300 0.040 0.000 1.079 183 D CA -1.943 52.074 54.000 0.028 0.000 0.864 183 D CB 1.590 42.403 40.800 0.022 0.000 1.048 183 D HN 0.475 nan 8.370 nan 0.000 0.523 184 P HA 0.104 nan 4.420 nan 0.000 0.258 184 P C 0.894 178.230 177.300 0.061 0.000 1.416 184 P CA -0.092 63.040 63.100 0.054 0.000 0.927 184 P CB 0.423 32.138 31.700 0.025 0.000 1.444 185 T N -0.791 113.793 114.554 0.050 0.000 2.653 185 T HA -0.222 4.126 4.350 -0.004 0.000 0.268 185 T C 1.217 175.937 174.700 0.033 0.000 1.035 185 T CA 1.692 63.804 62.100 0.019 0.000 1.154 185 T CB -1.029 67.850 68.868 0.017 0.000 0.862 185 T HN 0.237 nan 8.240 nan 0.000 0.441 186 W N 1.934 123.187 121.300 -0.078 0.000 2.290 186 W HA -0.264 4.394 4.660 -0.004 0.000 0.311 186 W C 2.540 178.993 176.519 -0.111 0.000 1.238 186 W CA 1.640 58.935 57.345 -0.083 0.000 1.255 186 W CB -0.524 28.894 29.460 -0.070 0.000 1.145 186 W HN 0.286 nan 8.180 nan 0.000 0.506 187 A N -0.079 122.779 122.820 0.064 0.000 1.898 187 A HA -0.156 4.161 4.320 -0.004 0.000 0.216 187 A C 2.004 179.363 177.584 -0.376 0.000 1.181 187 A CA 1.837 53.763 52.037 -0.185 0.000 0.620 187 A CB -0.923 18.030 19.000 -0.079 0.000 0.819 187 A HN 0.393 nan 8.150 nan 0.000 0.442 188 I N -0.506 119.897 120.570 -0.278 0.000 2.252 188 I HA -0.234 3.934 4.170 -0.004 0.000 0.245 188 I C 2.478 178.400 176.117 -0.324 0.000 1.102 188 I CA 1.459 62.585 61.300 -0.290 0.000 1.385 188 I CB -0.488 37.403 38.000 -0.183 0.000 1.064 188 I HN 0.444 nan 8.210 nan 0.000 0.414 189 E N 0.497 120.500 120.200 -0.327 0.000 2.072 189 E HA -0.207 4.141 4.350 -0.004 0.000 0.191 189 E C 2.110 178.452 176.600 -0.430 0.000 0.985 189 E CA 0.862 57.064 56.400 -0.330 0.000 0.801 189 E CB 0.003 29.529 29.700 -0.290 0.000 0.750 189 E HN 0.365 nan 8.360 nan 0.000 0.452 190 E N 0.781 120.595 120.200 -0.642 0.000 2.077 190 E HA -0.159 4.188 4.350 -0.004 0.000 0.193 190 E C 2.157 178.472 176.600 -0.474 0.000 0.989 190 E CA 0.712 56.722 56.400 -0.650 0.000 0.800 190 E CB -0.212 28.907 29.700 -0.969 0.000 0.746 190 E HN 0.323 nan 8.360 nan 0.000 0.452 191 I N 0.416 120.722 120.570 -0.440 0.000 2.208 191 I HA -0.268 3.900 4.170 -0.004 0.000 0.245 191 I C 2.393 178.322 176.117 -0.314 0.000 1.097 191 I CA 0.749 61.824 61.300 -0.375 0.000 1.363 191 I CB -0.180 37.371 38.000 -0.749 0.000 1.051 191 I HN -0.051 nan 8.210 nan 0.000 0.413 192 V N 0.565 120.294 119.914 -0.308 0.000 2.343 192 V HA -0.290 3.828 4.120 -0.004 0.000 0.247 192 V C 2.599 178.579 176.094 -0.191 0.000 1.051 192 V CA 1.980 64.154 62.300 -0.209 0.000 1.036 192 V CB -0.707 31.009 31.823 -0.179 0.000 0.654 192 V HN 0.404 nan 8.190 nan 0.000 0.451 193 R N -0.327 120.025 120.500 -0.247 0.000 2.073 193 R HA -0.089 4.249 4.340 -0.004 0.000 0.229 193 R C 2.581 178.721 176.300 -0.267 0.000 1.120 193 R CA 1.192 57.157 56.100 -0.225 0.000 0.967 193 R CB -0.066 30.092 30.300 -0.237 0.000 0.862 193 R HN 0.432 nan 8.270 nan 0.000 0.436 194 R N -0.928 119.305 120.500 -0.444 0.000 2.062 194 R HA -0.099 4.239 4.340 -0.004 0.000 0.229 194 R C 1.767 177.753 176.300 -0.524 0.000 1.128 194 R CA 1.419 57.122 56.100 -0.663 0.000 0.960 194 R CB -0.276 29.268 30.300 -1.261 0.000 0.855 194 R HN 0.336 nan 8.270 nan 0.000 0.432 195 Y N 0.212 120.543 120.300 0.051 0.000 2.559 195 Y HA 0.243 4.791 4.550 -0.004 0.000 0.279 195 Y C 1.005 177.016 175.900 0.185 0.000 1.117 195 Y CA -0.771 57.466 58.100 0.228 0.000 1.263 195 Y CB 0.163 38.856 38.460 0.390 0.000 1.230 195 Y HN -0.184 nan 8.280 nan 0.000 0.528 196 I N 1.246 121.917 120.570 0.168 0.000 2.598 196 I HA 0.197 4.365 4.170 -0.004 0.000 0.284 196 I C 1.402 177.546 176.117 0.045 0.000 1.140 196 I CA 0.729 62.089 61.300 0.099 0.000 1.420 196 I CB -0.012 37.991 38.000 0.005 0.000 1.387 196 I HN 0.604 nan 8.210 nan 0.000 0.553 197 G N 5.829 114.650 108.800 0.035 0.000 2.175 197 G HA2 -0.198 3.760 3.960 -0.004 0.000 0.244 197 G HA3 -0.198 3.760 3.960 -0.004 0.000 0.244 197 G C 0.359 175.275 174.900 0.027 0.000 0.982 197 G CA -0.368 44.719 45.100 -0.022 0.000 0.641 197 G HN 0.517 nan 8.290 nan 0.000 0.527 198 K N 0.248 120.699 120.400 0.084 0.000 2.208 198 K HA 0.453 4.771 4.320 -0.004 0.000 0.247 198 K C -1.578 175.069 176.600 0.079 0.000 0.953 198 K CA -1.492 54.841 56.287 0.076 0.000 0.837 198 K CB 2.662 35.216 32.500 0.091 0.000 1.131 198 K HN -0.083 nan 8.250 nan 0.000 0.431 199 P HA -0.164 nan 4.420 nan 0.000 0.218 199 P C 0.063 177.357 177.300 -0.010 0.000 1.148 199 P CA 1.445 64.559 63.100 0.024 0.000 0.822 199 P CB 0.243 31.945 31.700 0.004 0.000 0.784 200 D N -0.680 119.652 120.400 -0.113 0.000 2.144 200 D HA -0.129 4.508 4.640 -0.004 0.000 0.199 200 D C 0.816 176.809 176.300 -0.511 0.000 0.984 200 D CA 1.155 54.930 54.000 -0.375 0.000 0.834 200 D CB -0.565 39.860 40.800 -0.625 0.000 0.955 200 D HN 0.261 nan 8.370 nan 0.000 0.465 201 F N -0.680 119.342 119.950 0.120 0.000 2.698 201 F HA 0.494 5.019 4.527 -0.003 0.000 0.304 201 F C 1.565 177.429 175.800 0.107 0.000 1.108 201 F CA -0.643 57.399 58.000 0.070 0.000 1.263 201 F CB -0.032 39.016 39.000 0.080 0.000 1.013 201 F HN -0.120 nan 8.300 nan 0.000 0.532 202 A N -0.999 121.970 122.820 0.248 0.000 2.208 202 A HA 0.018 4.335 4.320 -0.004 0.000 0.209 202 A C 0.347 178.182 177.584 0.417 0.000 1.161 202 A CA 0.877 53.115 52.037 0.334 0.000 0.782 202 A CB -0.187 18.960 19.000 0.245 0.000 0.816 202 A HN 0.169 nan 8.150 nan 0.000 0.477 203 D N 0.128 120.676 120.400 0.247 0.000 2.358 203 D HA 0.494 5.132 4.640 -0.004 0.000 0.253 203 D C -0.838 175.419 176.300 -0.071 0.000 1.288 203 D CA -0.154 53.964 54.000 0.196 0.000 0.950 203 D CB 0.229 41.167 40.800 0.230 0.000 1.197 203 D HN 0.179 nan 8.370 nan 0.000 0.550 204 L N 3.227 124.391 121.223 -0.098 0.000 2.303 204 L HA 0.557 4.895 4.340 -0.004 0.000 0.266 204 L C -1.421 175.190 176.870 -0.432 0.000 1.011 204 L CA -2.455 52.148 54.840 -0.395 0.000 0.818 204 L CB 1.554 43.463 42.059 -0.250 0.000 1.326 204 L HN 0.039 nan 8.230 nan 0.000 0.435 205 P HA -0.096 nan 4.420 nan 0.000 0.217 205 P C 0.144 177.373 177.300 -0.118 0.000 1.148 205 P CA 1.532 64.341 63.100 -0.486 0.000 0.834 205 P CB 0.265 31.539 31.700 -0.711 0.000 0.783 206 R N -2.885 117.646 120.500 0.051 0.000 3.034 206 R HA 0.205 4.543 4.340 -0.004 0.000 0.264 206 R C -0.645 175.812 176.300 0.261 0.000 1.030 206 R CA -0.896 55.323 56.100 0.198 0.000 0.903 206 R CB 0.875 31.327 30.300 0.253 0.000 1.414 206 R HN -0.155 nan 8.270 nan 0.000 0.429 207 K N 0.459 120.957 120.400 0.165 0.000 2.380 207 K HA 0.054 4.372 4.320 -0.004 0.000 0.267 207 K C -1.180 175.530 176.600 0.182 0.000 0.990 207 K CA 0.247 56.608 56.287 0.122 0.000 0.946 207 K CB 0.469 32.999 32.500 0.050 0.000 0.937 207 K HN 0.480 nan 8.250 nan 0.000 0.491 208 Y N 0.968 121.254 120.300 -0.023 0.000 2.332 208 Y HA 0.321 4.869 4.550 -0.003 0.000 0.325 208 Y C -1.483 174.376 175.900 -0.068 0.000 1.054 208 Y CA -0.798 57.231 58.100 -0.118 0.000 1.119 208 Y CB 1.809 40.231 38.460 -0.065 0.000 1.168 208 Y HN 0.615 nan 8.280 nan 0.000 0.439 209 K N 4.190 124.356 120.400 -0.390 0.000 2.244 209 K HA 0.656 4.974 4.320 -0.004 0.000 0.260 209 K C -1.020 175.387 176.600 -0.322 0.000 0.951 209 K CA -0.755 55.380 56.287 -0.253 0.000 0.826 209 K CB 1.939 34.325 32.500 -0.190 0.000 1.108 209 K HN 0.567 nan 8.250 nan 0.000 0.433 210 T N 1.078 115.568 114.554 -0.107 0.000 2.876 210 T HA 0.625 4.973 4.350 -0.004 0.000 0.289 210 T C -1.290 173.431 174.700 0.035 0.000 1.014 210 T CA -0.738 61.373 62.100 0.018 0.000 0.986 210 T CB 1.705 70.752 68.868 0.299 0.000 1.021 210 T HN 0.628 nan 8.240 nan 0.000 0.458 211 A N 3.135 125.998 122.820 0.070 0.000 2.359 211 A HA 0.862 5.179 4.320 -0.004 0.000 0.303 211 A C -1.022 176.633 177.584 0.119 0.000 1.066 211 A CA -0.646 51.426 52.037 0.058 0.000 0.730 211 A CB 0.706 19.720 19.000 0.023 0.000 1.211 211 A HN 0.833 nan 8.150 nan 0.000 0.439 212 I N 1.830 122.445 120.570 0.075 0.000 2.468 212 I HA 0.569 4.737 4.170 -0.004 0.000 0.285 212 I C -0.228 175.910 176.117 0.035 0.000 1.039 212 I CA -0.229 61.121 61.300 0.083 0.000 1.074 212 I CB 2.071 40.082 38.000 0.019 0.000 1.228 212 I HN 0.599 nan 8.210 nan 0.000 0.436 213 S N 2.996 118.715 115.700 0.032 0.000 2.543 213 S HA 0.512 4.979 4.470 -0.004 0.000 0.274 213 S C 0.321 174.932 174.600 0.018 0.000 1.149 213 S CA -0.246 57.966 58.200 0.021 0.000 0.866 213 S CB 1.675 64.891 63.200 0.025 0.000 1.111 213 S HN 0.795 nan 8.310 nan 0.000 0.457 214 G N 2.182 111.000 108.800 0.029 0.000 3.181 214 G HA2 0.350 4.308 3.960 -0.004 0.000 0.219 214 G HA3 0.350 4.308 3.960 -0.004 0.000 0.219 214 G C -0.069 174.855 174.900 0.039 0.000 1.182 214 G CA 0.212 45.334 45.100 0.037 0.000 0.791 214 G HN 0.537 nan 8.290 nan 0.000 0.537 215 L N -1.171 120.075 121.223 0.038 0.000 2.309 215 L HA 0.380 4.718 4.340 -0.004 0.000 0.261 215 L C -0.191 176.686 176.870 0.011 0.000 1.021 215 L CA -0.951 53.917 54.840 0.046 0.000 0.823 215 L CB 2.290 44.412 42.059 0.104 0.000 1.366 215 L HN -0.086 nan 8.230 nan 0.000 0.423 216 Q N 1.251 121.054 119.800 0.005 0.000 3.181 216 Q HA 0.065 4.403 4.340 -0.004 0.000 0.293 216 Q C -0.765 175.279 176.000 0.073 0.000 1.406 216 Q CA -0.159 55.649 55.803 0.009 0.000 1.026 216 Q CB -0.124 28.628 28.738 0.023 0.000 1.630 216 Q HN 0.461 nan 8.270 nan 0.000 0.553 217 D N -1.038 119.425 120.400 0.104 0.000 2.538 217 D HA -0.001 4.637 4.640 -0.004 0.000 0.231 217 D C 0.540 176.969 176.300 0.216 0.000 1.229 217 D CA -0.234 53.863 54.000 0.161 0.000 0.828 217 D CB 0.289 41.217 40.800 0.213 0.000 1.035 217 D HN 0.184 nan 8.370 nan 0.000 0.495 218 V N -3.786 116.218 119.914 0.151 0.000 3.017 218 V HA 0.737 4.855 4.120 -0.004 0.000 0.354 218 V C 0.849 176.965 176.094 0.036 0.000 1.389 218 V CA -0.430 61.919 62.300 0.082 0.000 1.163 218 V CB -0.269 31.584 31.823 0.050 0.000 1.178 218 V HN 0.269 nan 8.190 nan 0.000 0.547 219 A N 1.586 124.441 122.820 0.059 0.000 2.511 219 A HA -0.273 4.044 4.320 -0.004 0.000 0.297 219 A C 1.221 178.735 177.584 -0.116 0.000 1.476 219 A CA 1.911 53.922 52.037 -0.044 0.000 0.757 219 A CB -2.560 16.373 19.000 -0.112 0.000 1.072 219 A HN 1.615 nan 8.150 nan 0.000 0.413 220 H N -2.088 116.867 119.070 -0.193 0.000 2.395 220 H HA 0.100 4.654 4.556 -0.004 0.000 0.299 220 H C 1.417 176.587 175.328 -0.263 0.000 1.070 220 H CA 1.125 57.018 56.048 -0.258 0.000 1.356 220 H CB -0.219 29.302 29.762 -0.402 0.000 1.401 220 H HN 0.612 nan 8.280 nan 0.000 0.524 221 E N 0.862 120.541 120.200 -0.868 0.000 2.333 221 E HA -0.126 4.222 4.350 -0.004 0.000 0.200 221 E C 1.045 177.532 176.600 -0.189 0.000 1.010 221 E CA 1.643 57.724 56.400 -0.531 0.000 0.841 221 E CB -0.123 29.255 29.700 -0.538 0.000 0.757 221 E HN 0.916 nan 8.360 nan 0.000 0.508 222 I N -2.937 117.531 120.570 -0.170 0.000 3.856 222 I HA 0.257 4.425 4.170 -0.004 0.000 0.330 222 I C -0.147 175.894 176.117 -0.128 0.000 1.546 222 I CA -0.469 60.769 61.300 -0.104 0.000 1.132 222 I CB 0.368 38.328 38.000 -0.067 0.000 1.157 222 I HN -0.210 nan 8.210 nan 0.000 0.440 223 N N 1.761 120.379 118.700 -0.135 0.000 2.489 223 N HA 0.167 4.905 4.740 -0.004 0.000 0.284 223 N C 0.049 175.420 175.510 -0.231 0.000 1.158 223 N CA -0.404 52.545 53.050 -0.168 0.000 0.965 223 N CB 1.424 39.835 38.487 -0.126 0.000 1.195 223 N HN 0.187 nan 8.380 nan 0.000 0.506 224 D N 0.054 120.237 120.400 -0.362 0.000 2.178 224 D HA -0.080 4.558 4.640 -0.004 0.000 0.201 224 D C 0.345 176.378 176.300 -0.445 0.000 0.980 224 D CA 1.433 55.134 54.000 -0.497 0.000 0.842 224 D CB 0.565 40.869 40.800 -0.827 0.000 0.948 224 D HN 0.091 nan 8.370 nan 0.000 0.472 225 V N -0.571 119.113 119.914 -0.384 0.000 2.851 225 V HA 0.605 4.723 4.120 -0.004 0.000 0.307 225 V C -1.832 174.221 176.094 -0.068 0.000 1.129 225 V CA -0.607 61.559 62.300 -0.224 0.000 0.932 225 V CB 1.996 33.694 31.823 -0.207 0.000 1.024 225 V HN 0.079 nan 8.190 nan 0.000 0.426 226 A N 5.753 128.531 122.820 -0.071 0.000 2.455 226 A HA 0.908 5.226 4.320 -0.004 0.000 0.300 226 A C -1.648 175.863 177.584 -0.122 0.000 1.040 226 A CA -0.370 51.672 52.037 0.008 0.000 0.697 226 A CB 1.443 20.445 19.000 0.003 0.000 1.265 226 A HN 0.781 nan 8.150 nan 0.000 0.407 227 F N 2.551 122.530 119.950 0.047 0.000 2.382 227 F HA 0.568 5.092 4.527 -0.004 0.000 0.361 227 F C -0.372 175.405 175.800 -0.038 0.000 1.109 227 F CA -0.636 57.390 58.000 0.044 0.000 1.031 227 F CB 1.519 40.549 39.000 0.049 0.000 1.234 227 F HN 0.261 nan 8.300 nan 0.000 0.445 228 I N 2.239 122.838 120.570 0.047 0.000 2.433 228 I HA 0.434 4.602 4.170 -0.004 0.000 0.292 228 I C 0.701 176.830 176.117 0.021 0.000 1.001 228 I CA -1.182 60.065 61.300 -0.088 0.000 1.119 228 I CB 1.445 39.174 38.000 -0.452 0.000 1.289 228 I HN 0.579 nan 8.210 nan 0.000 0.438 229 G N 4.581 113.399 108.800 0.030 0.000 2.391 229 G HA2 0.396 4.353 3.960 -0.004 0.000 0.234 229 G HA3 0.396 4.353 3.960 -0.004 0.000 0.234 229 G C -0.634 174.341 174.900 0.126 0.000 1.284 229 G CA 0.134 45.282 45.100 0.080 0.000 0.873 229 G HN 0.587 nan 8.290 nan 0.000 0.549 230 V N 2.568 122.606 119.914 0.206 0.000 3.098 230 V HA 0.320 4.438 4.120 -0.004 0.000 0.294 230 V C -1.313 174.992 176.094 0.351 0.000 1.351 230 V CA -1.302 61.148 62.300 0.251 0.000 0.999 230 V CB 2.275 34.262 31.823 0.274 0.000 1.104 230 V HN 0.806 nan 8.190 nan 0.000 0.438 231 N N 3.528 122.368 118.700 0.234 0.000 2.402 231 N HA 0.212 4.950 4.740 -0.004 0.000 0.252 231 N C -0.521 175.050 175.510 0.102 0.000 1.118 231 N CA -0.085 53.084 53.050 0.198 0.000 0.945 231 N CB 0.572 39.119 38.487 0.100 0.000 1.147 231 N HN 0.818 nan 8.380 nan 0.000 0.495 232 H N 3.945 122.972 119.070 -0.073 0.000 2.803 232 H HA 0.092 4.646 4.556 -0.003 0.000 0.330 232 H C -1.115 174.035 175.328 -0.297 0.000 1.057 232 H CA -1.012 54.780 56.048 -0.427 0.000 1.458 232 H CB 1.139 30.126 29.762 -1.291 0.000 1.470 232 H HN 0.390 nan 8.280 nan 0.000 0.560 233 P HA -0.180 nan 4.420 nan 0.000 0.218 233 P C 0.974 178.146 177.300 -0.214 0.000 1.149 233 P CA 1.285 64.212 63.100 -0.287 0.000 0.817 233 P CB 0.460 31.975 31.700 -0.308 0.000 0.785 234 E N -1.403 118.663 120.200 -0.224 0.000 2.102 234 E HA -0.111 4.237 4.350 -0.004 0.000 0.190 234 E C 1.625 178.084 176.600 -0.234 0.000 0.971 234 E CA 0.609 56.861 56.400 -0.247 0.000 0.821 234 E CB 0.066 29.502 29.700 -0.441 0.000 0.777 234 E HN 0.335 nan 8.360 nan 0.000 0.460 235 H N -0.756 118.214 119.070 -0.167 0.000 2.622 235 H HA 0.250 4.804 4.556 -0.004 0.000 0.269 235 H C 1.037 176.258 175.328 -0.179 0.000 0.977 235 H CA 0.749 56.558 56.048 -0.399 0.000 1.179 235 H CB 0.951 30.021 29.762 -1.153 0.000 1.458 235 H HN 0.287 nan 8.280 nan 0.000 0.531 236 G N 1.311 110.121 108.800 0.016 0.000 2.584 236 G HA2 -0.222 3.735 3.960 -0.004 0.000 0.229 236 G HA3 -0.222 3.735 3.960 -0.004 0.000 0.229 236 G C -2.584 172.563 174.900 0.411 0.000 1.320 236 G CA -0.874 44.331 45.100 0.174 0.000 0.891 236 G HN 0.125 nan 8.290 nan 0.000 0.573 237 P HA 0.525 nan 4.420 nan 0.000 0.271 237 P C 0.601 178.188 177.300 0.477 0.000 1.216 237 P CA 1.174 64.502 63.100 0.381 0.000 0.771 237 P CB 1.185 33.007 31.700 0.203 0.000 0.864 238 G N 1.494 110.530 108.800 0.392 0.000 2.494 238 G HA2 0.536 4.494 3.960 -0.004 0.000 0.308 238 G HA3 0.536 4.494 3.960 -0.004 0.000 0.308 238 G C -2.230 172.583 174.900 -0.146 0.000 1.263 238 G CA -0.631 44.370 45.100 -0.165 0.000 0.840 238 G HN 0.344 nan 8.290 nan 0.000 0.479 239 L N 1.118 122.127 121.223 -0.357 0.000 2.356 239 L HA 0.467 4.805 4.340 -0.004 0.000 0.277 239 L C -0.826 176.067 176.870 0.037 0.000 0.996 239 L CA -0.583 54.239 54.840 -0.030 0.000 0.822 239 L CB 1.942 44.072 42.059 0.117 0.000 1.256 239 L HN 0.599 nan 8.230 nan 0.000 0.413 240 D N 2.457 122.955 120.400 0.164 0.000 2.304 240 D HA 0.316 4.954 4.640 -0.004 0.000 0.250 240 D C -0.925 175.495 176.300 0.200 0.000 1.107 240 D CA -0.226 53.909 54.000 0.226 0.000 0.885 240 D CB 1.249 42.239 40.800 0.316 0.000 1.192 240 D HN 0.285 nan 8.370 nan 0.000 0.436 241 L N 5.249 126.524 121.223 0.086 0.000 2.275 241 L HA 0.538 4.876 4.340 -0.004 0.000 0.288 241 L C -1.606 175.270 176.870 0.009 0.000 1.046 241 L CA -0.462 54.318 54.840 -0.099 0.000 0.805 241 L CB 0.542 42.492 42.059 -0.183 0.000 1.193 241 L HN 0.399 nan 8.230 nan 0.000 0.426 242 W N 4.440 125.598 121.300 -0.237 0.000 2.689 242 W HA 0.787 5.445 4.660 -0.004 0.000 0.340 242 W C -0.844 175.548 176.519 -0.212 0.000 1.060 242 W CA -0.596 56.663 57.345 -0.143 0.000 1.218 242 W CB 1.985 31.425 29.460 -0.032 0.000 1.410 242 W HN 0.292 nan 8.180 nan 0.000 0.528 243 V N 0.954 120.854 119.914 -0.023 0.000 3.087 243 V HA 0.716 4.834 4.120 -0.004 0.000 0.306 243 V C 0.212 176.169 176.094 -0.230 0.000 1.187 243 V CA -0.325 61.854 62.300 -0.202 0.000 0.999 243 V CB 2.052 33.659 31.823 -0.360 0.000 1.049 243 V HN 0.861 nan 8.190 nan 0.000 0.431 244 G N 2.750 111.370 108.800 -0.301 0.000 2.145 244 G HA2 0.003 3.961 3.960 -0.004 0.000 0.176 244 G HA3 0.003 3.961 3.960 -0.004 0.000 0.176 244 G C 0.234 174.994 174.900 -0.232 0.000 1.013 244 G CA 0.017 44.934 45.100 -0.305 0.000 0.689 244 G HN 1.449 nan 8.290 nan 0.000 0.506 245 G N -1.035 107.637 108.800 -0.212 0.000 2.461 245 G HA2 1.032 4.990 3.960 -0.004 0.000 0.329 245 G HA3 1.032 4.990 3.960 -0.004 0.000 0.329 245 G C 0.223 175.006 174.900 -0.195 0.000 1.170 245 G CA -0.188 44.817 45.100 -0.158 0.000 0.935 245 G HN 1.735 nan 8.290 nan 0.000 0.492 246 G N -1.222 107.487 108.800 -0.152 0.000 2.376 246 G HA2 0.483 4.441 3.960 -0.004 0.000 0.302 246 G HA3 0.483 4.441 3.960 -0.004 0.000 0.302 246 G C -1.557 173.252 174.900 -0.152 0.000 1.586 246 G CA -0.910 44.090 45.100 -0.166 0.000 0.907 246 G HN 0.903 nan 8.290 nan 0.000 0.655 247 L N 1.697 122.836 121.223 -0.140 0.000 2.427 247 L HA 0.725 5.063 4.340 -0.004 0.000 0.264 247 L C 0.481 177.267 176.870 -0.140 0.000 0.989 247 L CA -0.528 54.209 54.840 -0.171 0.000 0.865 247 L CB 1.439 43.418 42.059 -0.133 0.000 1.209 247 L HN 0.666 nan 8.230 nan 0.000 0.430 248 S N 0.309 115.927 115.700 -0.136 0.000 4.413 248 S HA 0.241 4.708 4.470 -0.004 0.000 0.213 248 S C 1.523 176.079 174.600 -0.074 0.000 1.104 248 S CA 0.634 58.789 58.200 -0.075 0.000 1.790 248 S CB 0.545 63.734 63.200 -0.019 0.000 0.973 248 S HN 0.713 nan 8.310 nan 0.000 0.757 249 T N 0.370 114.917 114.554 -0.013 0.000 2.881 249 T HA 0.055 4.403 4.350 -0.004 0.000 0.270 249 T C 0.623 175.309 174.700 -0.023 0.000 1.068 249 T CA 1.163 63.265 62.100 0.003 0.000 1.131 249 T CB -0.410 68.487 68.868 0.048 0.000 0.871 249 T HN 0.307 nan 8.240 nan 0.000 0.479 250 N N 2.604 121.283 118.700 -0.036 0.000 2.746 250 N HA 0.355 5.093 4.740 -0.004 0.000 0.250 250 N C -3.077 172.304 175.510 -0.214 0.000 1.146 250 N CA -1.690 51.318 53.050 -0.069 0.000 0.828 250 N CB 1.813 40.348 38.487 0.079 0.000 1.158 250 N HN 0.292 nan 8.380 nan 0.000 0.519 251 P HA 0.301 nan 4.420 nan 0.000 0.278 251 P C -0.698 176.365 177.300 -0.394 0.000 1.238 251 P CA -0.223 62.547 63.100 -0.549 0.000 0.794 251 P CB 1.324 32.309 31.700 -1.191 0.000 0.955 252 M N 2.063 121.579 119.600 -0.140 0.000 2.294 252 M HA 0.279 4.757 4.480 -0.004 0.000 0.280 252 M C -0.558 175.843 176.300 0.169 0.000 1.085 252 M CA -0.591 54.751 55.300 0.069 0.000 0.969 252 M CB 2.257 34.790 32.600 -0.112 0.000 1.770 252 M HN 0.129 nan 8.290 nan 0.000 0.485 253 L N 2.687 124.038 121.223 0.213 0.000 2.410 253 L HA 0.452 4.790 4.340 -0.004 0.000 0.273 253 L C 0.800 177.693 176.870 0.039 0.000 1.144 253 L CA -0.376 54.509 54.840 0.076 0.000 0.863 253 L CB 0.837 42.881 42.059 -0.024 0.000 1.140 253 L HN 0.834 nan 8.230 nan 0.000 0.463 254 A N 4.586 127.439 122.820 0.054 0.000 2.483 254 A HA 0.321 4.639 4.320 -0.004 0.000 0.238 254 A C -0.161 177.539 177.584 0.193 0.000 1.070 254 A CA 0.005 52.095 52.037 0.088 0.000 0.770 254 A CB 0.261 19.335 19.000 0.122 0.000 1.008 254 A HN 0.786 nan 8.150 nan 0.000 0.497 255 Q N 0.748 120.537 119.800 -0.017 0.000 2.394 255 Q HA 0.421 4.759 4.340 -0.004 0.000 0.273 255 Q C -0.887 174.810 176.000 -0.505 0.000 1.089 255 Q CA -0.885 54.758 55.803 -0.265 0.000 0.812 255 Q CB 2.103 30.728 28.738 -0.187 0.000 1.353 255 Q HN 0.727 nan 8.270 nan 0.000 0.438 256 R N 0.915 120.884 120.500 -0.884 0.000 2.484 256 R HA 0.010 4.348 4.340 -0.004 0.000 0.293 256 R C 0.604 176.685 176.300 -0.364 0.000 1.023 256 R CA -0.021 55.571 56.100 -0.847 0.000 1.037 256 R CB 0.368 30.199 30.300 -0.782 0.000 0.951 256 R HN 0.480 nan 8.270 nan 0.000 0.418 257 V N 2.085 121.859 119.914 -0.234 0.000 2.970 257 V HA -0.063 4.055 4.120 -0.004 0.000 0.260 257 V C 1.573 177.643 176.094 -0.040 0.000 1.100 257 V CA 1.765 64.029 62.300 -0.059 0.000 1.122 257 V CB -0.479 31.362 31.823 0.029 0.000 0.721 257 V HN 1.205 nan 8.190 nan 0.000 0.483 258 G N -0.305 108.449 108.800 -0.076 0.000 2.132 258 G HA2 -0.045 3.913 3.960 -0.004 0.000 0.234 258 G HA3 -0.045 3.913 3.960 -0.004 0.000 0.234 258 G C 0.050 174.990 174.900 0.067 0.000 0.989 258 G CA 0.163 45.255 45.100 -0.014 0.000 0.676 258 G HN 1.110 nan 8.290 nan 0.000 0.522 259 A N -0.880 121.991 122.820 0.085 0.000 2.355 259 A HA 0.757 5.074 4.320 -0.004 0.000 0.324 259 A C -0.733 177.002 177.584 0.251 0.000 1.117 259 A CA -0.496 51.634 52.037 0.155 0.000 0.785 259 A CB 1.331 20.396 19.000 0.108 0.000 1.254 259 A HN 1.240 nan 8.150 nan 0.000 0.453 260 W N 2.360 123.723 121.300 0.105 0.000 2.529 260 W HA 0.605 5.263 4.660 -0.004 0.000 0.321 260 W C -1.564 175.017 176.519 0.102 0.000 1.047 260 W CA -0.390 57.032 57.345 0.127 0.000 1.216 260 W CB 1.710 31.260 29.460 0.149 0.000 1.357 260 W HN 0.481 nan 8.180 nan 0.000 0.489 261 V N 8.681 128.336 119.914 -0.432 0.000 2.443 261 V HA 0.388 4.505 4.120 -0.004 0.000 0.293 261 V C -1.846 173.766 176.094 -0.803 0.000 1.021 261 V CA -2.021 60.050 62.300 -0.382 0.000 0.848 261 V CB 1.565 33.391 31.823 0.005 0.000 0.998 261 V HN 0.442 nan 8.190 nan 0.000 0.424 262 P HA 0.124 nan 4.420 nan 0.000 0.272 262 P C 0.830 177.948 177.300 -0.304 0.000 1.223 262 P CA -0.322 62.374 63.100 -0.673 0.000 0.784 262 P CB 1.418 32.921 31.700 -0.330 0.000 0.923 263 L N 3.353 124.446 121.223 -0.217 0.000 2.081 263 L HA -0.135 4.203 4.340 -0.004 0.000 0.212 263 L C 2.441 179.289 176.870 -0.036 0.000 1.080 263 L CA 2.709 57.486 54.840 -0.105 0.000 0.754 263 L CB -1.731 40.273 42.059 -0.091 0.000 0.893 263 L HN 0.592 nan 8.230 nan 0.000 0.433 264 G N -1.557 107.170 108.800 -0.121 0.000 2.448 264 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.219 264 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.219 264 G C 1.428 176.390 174.900 0.104 0.000 1.127 264 G CA 0.754 45.807 45.100 -0.078 0.000 0.766 264 G HN 0.552 nan 8.290 nan 0.000 0.552 265 E N -0.418 119.808 120.200 0.042 0.000 2.479 265 E HA 0.156 4.504 4.350 -0.004 0.000 0.193 265 E C 2.315 178.963 176.600 0.080 0.000 1.049 265 E CA -0.377 56.066 56.400 0.071 0.000 0.870 265 E CB 0.510 30.231 29.700 0.034 0.000 0.944 265 E HN 0.273 nan 8.360 nan 0.000 0.492 266 V N 1.539 121.470 119.914 0.029 0.000 2.261 266 V HA -0.181 3.937 4.120 -0.004 0.000 0.246 266 V C -0.855 175.154 176.094 -0.142 0.000 1.047 266 V CA 1.824 64.029 62.300 -0.158 0.000 1.015 266 V CB -1.240 30.383 31.823 -0.334 0.000 0.642 266 V HN 0.211 nan 8.190 nan 0.000 0.446 267 P HA -0.190 nan 4.420 nan 0.000 0.216 267 P C 1.662 179.110 177.300 0.247 0.000 1.150 267 P CA 1.566 64.709 63.100 0.071 0.000 0.843 267 P CB 0.061 31.791 31.700 0.051 0.000 0.787 268 E N -0.617 119.714 120.200 0.218 0.000 2.031 268 E HA -0.133 4.215 4.350 -0.004 0.000 0.193 268 E C 1.880 178.600 176.600 0.199 0.000 0.994 268 E CA 1.179 57.714 56.400 0.224 0.000 0.800 268 E CB -0.339 29.471 29.700 0.183 0.000 0.752 268 E HN -0.043 nan 8.360 nan 0.000 0.447 269 V N 0.099 120.142 119.914 0.214 0.000 2.427 269 V HA -0.223 3.895 4.120 -0.004 0.000 0.248 269 V C 1.834 178.120 176.094 0.320 0.000 1.051 269 V CA 1.797 64.253 62.300 0.260 0.000 1.048 269 V CB -0.602 31.432 31.823 0.352 0.000 0.666 269 V HN 0.508 nan 8.190 nan 0.000 0.456 270 W N 1.174 122.568 121.300 0.158 0.000 2.335 270 W HA -0.250 4.408 4.660 -0.004 0.000 0.311 270 W C 2.444 178.887 176.519 -0.127 0.000 1.213 270 W CA 2.298 59.718 57.345 0.124 0.000 1.274 270 W CB -0.287 29.122 29.460 -0.085 0.000 1.148 270 W HN 0.192 nan 8.180 nan 0.000 0.498 271 A N 0.616 123.450 122.820 0.023 0.000 1.902 271 A HA -0.099 4.218 4.320 -0.004 0.000 0.217 271 A C 2.072 179.516 177.584 -0.234 0.000 1.181 271 A CA 2.584 54.422 52.037 -0.332 0.000 0.623 271 A CB -1.552 17.321 19.000 -0.210 0.000 0.818 271 A HN 0.444 nan 8.150 nan 0.000 0.443 272 A N -0.673 122.109 122.820 -0.064 0.000 1.898 272 A HA 0.033 4.351 4.320 -0.004 0.000 0.216 272 A C 2.235 179.686 177.584 -0.223 0.000 1.181 272 A CA 1.728 53.727 52.037 -0.062 0.000 0.620 272 A CB -0.866 18.165 19.000 0.051 0.000 0.819 272 A HN 0.373 nan 8.150 nan 0.000 0.442 273 V N -0.135 119.680 119.914 -0.165 0.000 2.295 273 V HA -0.225 3.893 4.120 -0.004 0.000 0.246 273 V C 2.742 178.697 176.094 -0.232 0.000 1.049 273 V CA 2.473 64.720 62.300 -0.088 0.000 1.024 273 V CB -1.322 30.515 31.823 0.023 0.000 0.648 273 V HN 0.610 nan 8.190 nan 0.000 0.447 274 T N -0.211 113.994 114.554 -0.581 0.000 2.803 274 T HA -0.183 4.165 4.350 -0.004 0.000 0.269 274 T C 2.078 176.539 174.700 -0.399 0.000 1.052 274 T CA 1.791 63.364 62.100 -0.879 0.000 1.136 274 T CB -0.268 67.551 68.868 -1.749 0.000 0.864 274 T HN 0.500 nan 8.240 nan 0.000 0.467 275 S N 0.876 116.423 115.700 -0.255 0.000 2.383 275 S HA -0.050 4.418 4.470 -0.004 0.000 0.227 275 S C 2.358 176.760 174.600 -0.330 0.000 1.026 275 S CA 0.660 58.790 58.200 -0.116 0.000 0.981 275 S CB -0.435 62.700 63.200 -0.108 0.000 0.818 275 S HN 0.315 nan 8.310 nan 0.000 0.472 276 V N 1.710 121.330 119.914 -0.490 0.000 2.295 276 V HA -0.167 3.951 4.120 -0.004 0.000 0.246 276 V C 1.948 178.081 176.094 0.065 0.000 1.049 276 V CA 1.752 63.920 62.300 -0.221 0.000 1.024 276 V CB -0.838 30.914 31.823 -0.118 0.000 0.648 276 V HN 0.443 nan 8.190 nan 0.000 0.447 277 F N 1.578 121.431 119.950 -0.162 0.000 2.043 277 F HA -0.248 4.277 4.527 -0.003 0.000 0.297 277 F C 2.673 178.358 175.800 -0.192 0.000 1.121 277 F CA 2.390 60.274 58.000 -0.193 0.000 1.199 277 F CB -0.660 38.173 39.000 -0.277 0.000 0.968 277 F HN -0.010 nan 8.300 nan 0.000 0.478 278 R N 0.102 120.416 120.500 -0.309 0.000 2.083 278 R HA -0.181 4.156 4.340 -0.004 0.000 0.237 278 R C 1.819 177.898 176.300 -0.368 0.000 1.137 278 R CA 2.218 58.035 56.100 -0.473 0.000 0.951 278 R CB -0.561 29.612 30.300 -0.211 0.000 0.851 278 R HN 0.302 nan 8.270 nan 0.000 0.434 279 D N -1.208 119.179 120.400 -0.021 0.000 2.213 279 D HA -0.085 4.553 4.640 -0.004 0.000 0.205 279 D C 0.923 177.239 176.300 0.026 0.000 0.961 279 D CA 1.149 55.231 54.000 0.137 0.000 0.853 279 D CB 0.092 41.117 40.800 0.375 0.000 0.967 279 D HN 0.345 nan 8.370 nan 0.000 0.496 280 Y N 0.245 120.567 120.300 0.037 0.000 2.453 280 Y HA 0.338 4.886 4.550 -0.003 0.000 0.247 280 Y C 1.471 177.295 175.900 -0.126 0.000 1.124 280 Y CA -0.451 57.697 58.100 0.080 0.000 1.243 280 Y CB 0.565 39.166 38.460 0.236 0.000 1.213 280 Y HN -0.208 nan 8.280 nan 0.000 0.523 281 G N -0.091 108.634 108.800 -0.126 0.000 2.491 281 G HA2 0.109 4.067 3.960 -0.004 0.000 0.242 281 G HA3 0.109 4.067 3.960 -0.004 0.000 0.242 281 G C -0.886 173.921 174.900 -0.155 0.000 1.266 281 G CA -0.237 44.700 45.100 -0.272 0.000 0.844 281 G HN 0.039 nan 8.290 nan 0.000 0.571 282 Y N 0.070 120.352 120.300 -0.030 0.000 2.411 282 Y HA 0.289 4.837 4.550 -0.004 0.000 0.333 282 Y C 1.503 177.364 175.900 -0.065 0.000 1.186 282 Y CA -0.589 57.497 58.100 -0.023 0.000 1.381 282 Y CB 0.894 39.349 38.460 -0.008 0.000 1.273 282 Y HN 0.476 nan 8.280 nan 0.000 0.546 283 R N 1.883 122.455 120.500 0.121 0.000 2.698 283 R HA 0.254 4.592 4.340 -0.004 0.000 0.422 283 R C 1.068 177.404 176.300 0.060 0.000 1.073 283 R CA -0.178 55.947 56.100 0.042 0.000 1.054 283 R CB 0.798 31.090 30.300 -0.012 0.000 1.373 283 R HN 0.632 nan 8.270 nan 0.000 0.593 284 R N 0.321 120.852 120.500 0.051 0.000 2.055 284 R HA 0.308 4.646 4.340 -0.004 0.000 0.190 284 R C -0.117 176.183 176.300 0.000 0.000 1.443 284 R CA 0.003 56.114 56.100 0.017 0.000 1.188 284 R CB 0.411 30.700 30.300 -0.019 0.000 1.068 284 R HN 0.023 nan 8.270 nan 0.000 0.475 285 L N 2.633 123.839 121.223 -0.027 0.000 2.319 285 L HA 0.232 4.570 4.340 -0.004 0.000 0.280 285 L C 1.212 178.075 176.870 -0.013 0.000 1.099 285 L CA -0.312 54.506 54.840 -0.038 0.000 0.828 285 L CB 1.322 43.326 42.059 -0.091 0.000 1.150 285 L HN 0.284 nan 8.230 nan 0.000 0.442 286 R N 3.256 123.762 120.500 0.010 0.000 2.105 286 R HA -0.131 4.207 4.340 -0.004 0.000 0.239 286 R C 1.628 177.954 176.300 0.044 0.000 1.135 286 R CA 1.765 57.888 56.100 0.038 0.000 0.967 286 R CB -0.130 30.199 30.300 0.047 0.000 0.861 286 R HN 0.805 nan 8.270 nan 0.000 0.442 287 A N -0.823 122.005 122.820 0.013 0.000 2.337 287 A HA 0.115 4.433 4.320 -0.004 0.000 0.227 287 A C 0.869 178.389 177.584 -0.107 0.000 1.259 287 A CA 0.059 52.110 52.037 0.023 0.000 0.870 287 A CB -0.022 18.994 19.000 0.027 0.000 0.927 287 A HN 0.152 nan 8.150 nan 0.000 0.497 288 K N -0.341 119.933 120.400 -0.211 0.000 2.972 288 K HA 0.476 4.794 4.320 -0.004 0.000 0.209 288 K C 0.555 177.071 176.600 -0.141 0.000 1.128 288 K CA 0.571 56.492 56.287 -0.611 0.000 1.024 288 K CB 0.278 32.453 32.500 -0.543 0.000 0.754 288 K HN 0.253 nan 8.250 nan 0.000 0.454 289 A N 0.445 123.327 122.820 0.104 0.000 2.167 289 A HA 0.220 4.538 4.320 -0.004 0.000 0.208 289 A C 0.699 178.479 177.584 0.327 0.000 1.198 289 A CA -0.044 52.113 52.037 0.200 0.000 0.863 289 A CB 0.230 19.309 19.000 0.133 0.000 0.904 289 A HN 0.181 nan 8.150 nan 0.000 0.484 290 R N -0.526 120.246 120.500 0.453 0.000 2.615 290 R HA 0.229 4.567 4.340 -0.004 0.000 0.270 290 R C 0.949 177.355 176.300 0.177 0.000 1.081 290 R CA -0.508 55.787 56.100 0.326 0.000 1.154 290 R CB 0.553 30.954 30.300 0.167 0.000 1.063 290 R HN 0.248 nan 8.270 nan 0.000 0.519 291 L N 3.537 124.677 121.223 -0.139 0.000 2.079 291 L HA -0.232 4.105 4.340 -0.004 0.000 0.210 291 L C 2.159 178.843 176.870 -0.310 0.000 1.081 291 L CA 1.902 56.558 54.840 -0.307 0.000 0.752 291 L CB -0.550 41.106 42.059 -0.671 0.000 0.896 291 L HN 0.646 nan 8.230 nan 0.000 0.433 292 K N -1.702 118.491 120.400 -0.346 0.000 2.127 292 K HA -0.260 4.058 4.320 -0.004 0.000 0.208 292 K C 1.937 178.329 176.600 -0.347 0.000 1.047 292 K CA 2.147 58.196 56.287 -0.397 0.000 0.927 292 K CB -0.962 31.241 32.500 -0.495 0.000 0.716 292 K HN 0.257 nan 8.250 nan 0.000 0.450 293 F N 1.295 121.173 119.950 -0.119 0.000 2.084 293 F HA -0.067 4.458 4.527 -0.003 0.000 0.296 293 F C 2.313 178.043 175.800 -0.117 0.000 1.111 293 F CA 0.644 58.621 58.000 -0.038 0.000 1.224 293 F CB -0.853 38.199 39.000 0.086 0.000 0.991 293 F HN -0.066 nan 8.300 nan 0.000 0.471 294 L N 0.333 121.423 121.223 -0.222 0.000 2.051 294 L HA -0.241 4.096 4.340 -0.004 0.000 0.214 294 L C 2.096 178.698 176.870 -0.446 0.000 1.076 294 L CA 1.710 56.192 54.840 -0.597 0.000 0.758 294 L CB -0.782 40.778 42.059 -0.832 0.000 0.890 294 L HN 0.060 nan 8.230 nan 0.000 0.433 295 I N -0.772 119.595 120.570 -0.338 0.000 2.439 295 I HA -0.230 3.938 4.170 -0.004 0.000 0.251 295 I C 2.437 178.512 176.117 -0.070 0.000 1.139 295 I CA 1.052 62.206 61.300 -0.244 0.000 1.438 295 I CB -1.271 36.527 38.000 -0.337 0.000 1.085 295 I HN 0.405 nan 8.210 nan 0.000 0.427 296 K N 0.922 121.298 120.400 -0.040 0.000 2.026 296 K HA -0.191 4.127 4.320 -0.004 0.000 0.208 296 K C 1.636 178.312 176.600 0.127 0.000 1.048 296 K CA 1.528 57.842 56.287 0.044 0.000 0.929 296 K CB 0.099 32.641 32.500 0.071 0.000 0.713 296 K HN 0.237 nan 8.250 nan 0.000 0.439 297 D N -0.189 120.321 120.400 0.183 0.000 2.077 297 D HA -0.173 4.465 4.640 -0.004 0.000 0.196 297 D C 1.858 178.380 176.300 0.370 0.000 0.986 297 D CA 1.012 55.179 54.000 0.279 0.000 0.829 297 D CB -0.399 40.627 40.800 0.378 0.000 0.983 297 D HN 0.277 nan 8.370 nan 0.000 0.453 298 W N 1.170 122.539 121.300 0.116 0.000 2.355 298 W HA 0.134 4.792 4.660 -0.004 0.000 0.309 298 W C 1.378 177.940 176.519 0.071 0.000 1.206 298 W CA 1.645 59.050 57.345 0.099 0.000 1.284 298 W CB -0.914 28.611 29.460 0.109 0.000 1.145 298 W HN 0.143 nan 8.180 nan 0.000 0.502 299 G N -0.843 108.138 108.800 0.301 0.000 2.712 299 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.686 299 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.686 299 G C 0.275 175.296 174.900 0.202 0.000 1.321 299 G CA -0.473 44.733 45.100 0.175 0.000 0.813 299 G HN -0.012 nan 8.290 nan 0.000 0.599 300 I N 1.403 122.044 120.570 0.117 0.000 2.163 300 I HA -0.232 3.936 4.170 -0.004 0.000 0.243 300 I C 3.287 179.514 176.117 0.183 0.000 1.085 300 I CA 2.689 64.073 61.300 0.140 0.000 1.347 300 I CB -1.577 36.446 38.000 0.038 0.000 1.044 300 I HN 0.932 nan 8.210 nan 0.000 0.408 301 A N 0.787 123.670 122.820 0.106 0.000 1.884 301 A HA -0.313 4.005 4.320 -0.004 0.000 0.219 301 A C 2.455 180.076 177.584 0.063 0.000 1.197 301 A CA 2.426 54.503 52.037 0.068 0.000 0.637 301 A CB -0.796 18.225 19.000 0.035 0.000 0.827 301 A HN 0.405 nan 8.150 nan 0.000 0.450 302 K N -1.756 118.685 120.400 0.067 0.000 2.103 302 K HA -0.183 4.134 4.320 -0.004 0.000 0.207 302 K C 1.831 178.443 176.600 0.020 0.000 1.048 302 K CA 1.768 58.036 56.287 -0.031 0.000 0.930 302 K CB -0.311 32.121 32.500 -0.113 0.000 0.716 302 K HN 0.471 nan 8.250 nan 0.000 0.444 303 F N 1.561 121.595 119.950 0.140 0.000 2.128 303 F HA -0.098 4.427 4.527 -0.004 0.000 0.295 303 F C 2.458 178.321 175.800 0.105 0.000 1.100 303 F CA 1.543 59.707 58.000 0.274 0.000 1.260 303 F CB -0.292 38.874 39.000 0.277 0.000 1.009 303 F HN -0.078 nan 8.300 nan 0.000 0.476 304 R N 0.394 120.909 120.500 0.024 0.000 2.096 304 R HA -0.263 4.075 4.340 -0.004 0.000 0.240 304 R C 2.274 178.490 176.300 -0.141 0.000 1.139 304 R CA 2.056 58.101 56.100 -0.091 0.000 0.952 304 R CB -0.553 29.769 30.300 0.037 0.000 0.854 304 R HN 0.393 nan 8.270 nan 0.000 0.436 305 E N -0.136 120.006 120.200 -0.096 0.000 2.049 305 E HA -0.177 4.170 4.350 -0.004 0.000 0.198 305 E C 1.815 178.334 176.600 -0.136 0.000 1.007 305 E CA 2.089 58.428 56.400 -0.101 0.000 0.809 305 E CB -0.218 29.420 29.700 -0.103 0.000 0.749 305 E HN 0.228 nan 8.360 nan 0.000 0.450 306 V N 0.519 120.311 119.914 -0.202 0.000 2.515 306 V HA -0.191 3.926 4.120 -0.004 0.000 0.250 306 V C 2.349 178.385 176.094 -0.097 0.000 1.058 306 V CA 1.516 63.703 62.300 -0.188 0.000 1.064 306 V CB -0.502 31.144 31.823 -0.295 0.000 0.675 306 V HN 0.322 nan 8.190 nan 0.000 0.461 307 L N 0.346 121.411 121.223 -0.264 0.000 2.005 307 L HA -0.152 4.186 4.340 -0.004 0.000 0.207 307 L C 2.404 179.256 176.870 -0.029 0.000 1.072 307 L CA 2.035 56.746 54.840 -0.215 0.000 0.744 307 L CB -0.598 41.175 42.059 -0.477 0.000 0.895 307 L HN 0.333 nan 8.230 nan 0.000 0.433 308 E N -1.184 118.979 120.200 -0.060 0.000 2.106 308 E HA -0.182 4.166 4.350 -0.004 0.000 0.192 308 E C 1.937 178.539 176.600 0.004 0.000 0.984 308 E CA 1.734 58.128 56.400 -0.010 0.000 0.806 308 E CB -0.162 29.528 29.700 -0.017 0.000 0.750 308 E HN 0.743 nan 8.360 nan 0.000 0.458 309 T N -1.746 112.800 114.554 -0.015 0.000 3.010 309 T HA 0.050 4.398 4.350 -0.004 0.000 0.252 309 T C 1.667 176.347 174.700 -0.033 0.000 1.047 309 T CA 0.369 62.456 62.100 -0.021 0.000 1.140 309 T CB 0.035 68.882 68.868 -0.035 0.000 0.885 309 T HN 0.044 nan 8.240 nan 0.000 0.464 310 E N -0.361 119.819 120.200 -0.032 0.000 2.216 310 E HA 0.113 4.461 4.350 -0.004 0.000 0.192 310 E C 1.332 177.739 176.600 -0.322 0.000 0.973 310 E CA 0.617 56.920 56.400 -0.161 0.000 0.851 310 E CB 0.093 29.704 29.700 -0.149 0.000 0.804 310 E HN 0.579 nan 8.360 nan 0.000 0.477 311 Y N -0.085 120.223 120.300 0.012 0.000 2.594 311 Y HA 0.166 4.714 4.550 -0.003 0.000 0.283 311 Y C 1.996 177.918 175.900 0.036 0.000 1.140 311 Y CA 0.133 58.254 58.100 0.035 0.000 1.261 311 Y CB 0.195 38.676 38.460 0.035 0.000 1.358 311 Y HN -0.133 nan 8.280 nan 0.000 0.513 312 L N 0.036 121.356 121.223 0.162 0.000 2.240 312 L HA -0.065 4.273 4.340 -0.004 0.000 0.211 312 L C 0.443 177.354 176.870 0.069 0.000 1.106 312 L CA 0.611 55.517 54.840 0.109 0.000 0.793 312 L CB -0.215 41.897 42.059 0.087 0.000 0.927 312 L HN 0.099 nan 8.230 nan 0.000 0.446 313 K N 1.257 121.684 120.400 0.044 0.000 3.016 313 K HA -0.206 4.111 4.320 -0.004 0.000 0.262 313 K C -0.130 176.486 176.600 0.027 0.000 1.043 313 K CA 0.894 57.195 56.287 0.023 0.000 0.761 313 K CB -1.897 30.613 32.500 0.018 0.000 1.230 313 K HN 0.683 nan 8.250 nan 0.000 0.485 314 R N -2.099 118.420 120.500 0.031 0.000 2.690 314 R HA 0.464 4.802 4.340 -0.004 0.000 0.269 314 R C -3.230 173.089 176.300 0.031 0.000 1.037 314 R CA -1.638 54.480 56.100 0.031 0.000 0.877 314 R CB 1.754 32.077 30.300 0.039 0.000 1.255 314 R HN -0.250 nan 8.270 nan 0.000 0.467 315 P HA 0.215 nan 4.420 nan 0.000 0.274 315 P C -0.493 176.837 177.300 0.050 0.000 1.237 315 P CA -0.468 62.652 63.100 0.034 0.000 0.793 315 P CB 0.761 32.482 31.700 0.034 0.000 0.977 316 L N 1.579 122.836 121.223 0.057 0.000 2.357 316 L HA 0.351 4.688 4.340 -0.004 0.000 0.273 316 L C 0.743 177.673 176.870 0.100 0.000 1.080 316 L CA -1.085 53.804 54.840 0.082 0.000 0.803 316 L CB 0.380 42.490 42.059 0.084 0.000 1.174 316 L HN 0.240 nan 8.230 nan 0.000 0.443 317 I N 1.517 122.168 120.570 0.136 0.000 2.588 317 I HA -0.006 4.162 4.170 -0.004 0.000 0.283 317 I C 0.214 176.444 176.117 0.189 0.000 1.119 317 I CA 0.050 61.444 61.300 0.157 0.000 1.419 317 I CB 0.152 38.268 38.000 0.192 0.000 1.394 317 I HN 0.434 nan 8.210 nan 0.000 0.562 318 D N 4.333 124.831 120.400 0.163 0.000 2.399 318 D HA 0.481 5.118 4.640 -0.004 0.000 0.241 318 D C 0.266 176.740 176.300 0.290 0.000 1.133 318 D CA 0.377 54.485 54.000 0.179 0.000 0.890 318 D CB 1.242 42.122 40.800 0.133 0.000 1.201 318 D HN 0.743 nan 8.370 nan 0.000 0.432 319 G N 0.704 109.674 108.800 0.283 0.000 2.692 319 G HA2 0.577 4.535 3.960 -0.004 0.000 0.291 319 G HA3 0.577 4.535 3.960 -0.004 0.000 0.291 319 G C -2.934 172.084 174.900 0.196 0.000 1.423 319 G CA -1.030 44.291 45.100 0.367 0.000 0.843 319 G HN 0.247 nan 8.290 nan 0.000 0.486 320 P HA 0.549 nan 4.420 nan 0.000 0.278 320 P C -0.198 177.183 177.300 0.135 0.000 1.266 320 P CA -0.204 62.944 63.100 0.081 0.000 0.807 320 P CB 1.479 33.186 31.700 0.012 0.000 1.094 321 A N 1.640 124.524 122.820 0.108 0.000 2.302 321 A HA 0.623 4.941 4.320 -0.004 0.000 0.285 321 A C -2.033 175.646 177.584 0.160 0.000 1.105 321 A CA -1.274 50.863 52.037 0.167 0.000 0.816 321 A CB -0.837 18.251 19.000 0.146 0.000 1.067 321 A HN 0.467 nan 8.150 nan 0.000 0.489 322 P HA 0.244 nan 4.420 nan 0.000 0.279 322 P C -0.763 176.610 177.300 0.122 0.000 1.252 322 P CA -0.528 62.653 63.100 0.135 0.000 0.811 322 P CB 0.643 32.416 31.700 0.122 0.000 1.035 323 E N 2.169 122.419 120.200 0.083 0.000 2.406 323 E HA 0.096 4.444 4.350 -0.004 0.000 0.258 323 E C -1.886 174.757 176.600 0.073 0.000 1.043 323 E CA -1.071 55.371 56.400 0.069 0.000 0.929 323 E CB -0.622 29.104 29.700 0.043 0.000 0.969 323 E HN 0.306 nan 8.360 nan 0.000 0.462 324 P HA -0.065 nan 4.420 nan 0.000 0.265 324 P C -0.089 177.233 177.300 0.037 0.000 1.193 324 P CA -0.133 63.017 63.100 0.084 0.000 0.765 324 P CB 0.414 32.173 31.700 0.098 0.000 0.823 325 V N 0.994 120.923 119.914 0.025 0.000 3.051 325 V HA 0.145 4.263 4.120 -0.004 0.000 0.306 325 V C 1.207 177.264 176.094 -0.062 0.000 1.083 325 V CA 0.003 62.297 62.300 -0.011 0.000 1.104 325 V CB 0.407 32.228 31.823 -0.002 0.000 1.027 325 V HN 0.352 nan 8.190 nan 0.000 0.483 326 K N 0.900 121.211 120.400 -0.148 0.000 2.005 326 K HA 0.138 4.455 4.320 -0.004 0.000 0.206 326 K C 0.848 177.204 176.600 -0.408 0.000 1.044 326 K CA 1.253 57.336 56.287 -0.339 0.000 0.942 326 K CB -0.261 31.907 32.500 -0.552 0.000 0.727 326 K HN 0.852 nan 8.250 nan 0.000 0.439 327 H N 0.484 119.536 119.070 -0.031 0.000 2.525 327 H HA 0.339 4.893 4.556 -0.004 0.000 0.340 327 H C -2.217 173.069 175.328 -0.070 0.000 1.168 327 H CA -2.596 53.420 56.048 -0.053 0.000 1.247 327 H CB 0.458 30.183 29.762 -0.062 0.000 1.568 327 H HN -0.033 nan 8.280 nan 0.000 0.536 328 P HA 0.178 nan 4.420 nan 0.000 0.274 328 P C -0.334 176.876 177.300 -0.151 0.000 1.246 328 P CA -0.456 62.592 63.100 -0.087 0.000 0.795 328 P CB 0.654 32.246 31.700 -0.181 0.000 1.006 329 I N 1.758 122.207 120.570 -0.203 0.000 2.330 329 I HA 0.184 4.352 4.170 -0.004 0.000 0.286 329 I C 0.758 176.618 176.117 -0.428 0.000 1.025 329 I CA 0.044 61.148 61.300 -0.326 0.000 1.197 329 I CB 0.713 38.509 38.000 -0.340 0.000 1.358 329 I HN 0.302 nan 8.210 nan 0.000 0.467 330 D N 3.753 123.913 120.400 -0.400 0.000 2.360 330 D HA -0.063 4.575 4.640 -0.004 0.000 0.210 330 D C 0.726 176.979 176.300 -0.079 0.000 1.047 330 D CA 0.040 53.881 54.000 -0.266 0.000 0.854 330 D CB -0.118 40.512 40.800 -0.283 0.000 0.936 330 D HN 0.542 nan 8.370 nan 0.000 0.514 331 H N -1.275 117.780 119.070 -0.025 0.000 2.958 331 H HA -0.130 4.423 4.556 -0.003 0.000 0.274 331 H C -0.334 174.989 175.328 -0.007 0.000 1.184 331 H CA 0.640 56.685 56.048 -0.005 0.000 1.143 331 H CB -2.101 27.674 29.762 0.020 0.000 1.297 331 H HN 0.165 nan 8.280 nan 0.000 0.356 332 V N 0.205 120.142 119.914 0.040 0.000 2.614 332 V HA 0.499 4.617 4.120 -0.004 0.000 0.291 332 V C 1.348 177.443 176.094 0.003 0.000 1.049 332 V CA 1.277 63.589 62.300 0.020 0.000 1.038 332 V CB 1.414 33.226 31.823 -0.018 0.000 0.980 332 V HN 0.938 nan 8.190 nan 0.000 0.481 333 G N 3.946 112.751 108.800 0.008 0.000 2.526 333 G HA2 -0.066 3.891 3.960 -0.004 0.000 0.250 333 G HA3 -0.066 3.891 3.960 -0.004 0.000 0.250 333 G C -0.902 174.004 174.900 0.011 0.000 1.289 333 G CA -0.448 44.651 45.100 -0.003 0.000 0.947 333 G HN 0.918 nan 8.290 nan 0.000 0.517 334 V N 1.665 121.582 119.914 0.005 0.000 2.472 334 V HA 0.705 4.822 4.120 -0.004 0.000 0.290 334 V C 0.483 176.585 176.094 0.013 0.000 1.037 334 V CA 0.462 62.767 62.300 0.008 0.000 0.908 334 V CB 1.124 32.948 31.823 0.002 0.000 0.985 334 V HN 1.158 nan 8.190 nan 0.000 0.454 335 Q N 3.030 122.840 119.800 0.018 0.000 2.416 335 Q HA 0.767 5.104 4.340 -0.004 0.000 0.281 335 Q C -0.906 175.103 176.000 0.014 0.000 1.067 335 Q CA -1.201 54.614 55.803 0.021 0.000 0.809 335 Q CB 2.365 31.129 28.738 0.043 0.000 1.418 335 Q HN 0.521 nan 8.270 nan 0.000 0.411 336 R N 1.339 121.847 120.500 0.013 0.000 2.490 336 R HA 0.565 4.902 4.340 -0.004 0.000 0.278 336 R C -1.234 175.071 176.300 0.008 0.000 1.069 336 R CA -0.113 55.992 56.100 0.008 0.000 1.080 336 R CB 0.617 30.922 30.300 0.008 0.000 1.030 336 R HN 0.748 nan 8.270 nan 0.000 0.491 337 L N 3.975 125.200 121.223 0.003 0.000 2.319 337 L HA 0.422 4.759 4.340 -0.004 0.000 0.267 337 L C 1.106 177.976 176.870 0.001 0.000 1.011 337 L CA -1.002 53.837 54.840 -0.000 0.000 0.818 337 L CB 1.940 43.995 42.059 -0.008 0.000 1.316 337 L HN 0.702 nan 8.230 nan 0.000 0.432 338 K N 0.418 120.819 120.400 0.001 0.000 2.160 338 K HA -0.185 4.133 4.320 -0.004 0.000 0.206 338 K C 1.494 178.094 176.600 0.000 0.000 1.047 338 K CA 1.366 57.655 56.287 0.003 0.000 0.930 338 K CB -0.096 32.406 32.500 0.003 0.000 0.720 338 K HN 0.469 nan 8.250 nan 0.000 0.450 339 N N -0.112 118.587 118.700 -0.003 0.000 2.184 339 N HA -0.170 4.568 4.740 -0.004 0.000 0.190 339 N C 1.432 176.941 175.510 -0.002 0.000 1.011 339 N CA 1.723 54.771 53.050 -0.004 0.000 0.867 339 N CB -0.201 38.283 38.487 -0.006 0.000 0.993 339 N HN 0.490 nan 8.380 nan 0.000 0.433 340 G N -1.008 107.792 108.800 -0.001 0.000 2.217 340 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.246 340 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.246 340 G C 0.295 175.194 174.900 -0.001 0.000 0.990 340 G CA 0.508 45.608 45.100 -0.000 0.000 0.627 340 G HN 0.286 nan 8.290 nan 0.000 0.522 341 L N -0.215 121.006 121.223 -0.003 0.000 2.855 341 L HA 0.518 4.856 4.340 -0.004 0.000 0.204 341 L C 0.677 177.545 176.870 -0.003 0.000 1.206 341 L CA -0.964 53.874 54.840 -0.004 0.000 0.942 341 L CB 0.163 42.219 42.059 -0.006 0.000 1.832 341 L HN 0.090 nan 8.230 nan 0.000 0.522 342 N N -0.531 118.166 118.700 -0.004 0.000 2.292 342 N HA 0.573 5.311 4.740 -0.004 0.000 0.303 342 N C -1.208 174.298 175.510 -0.006 0.000 1.140 342 N CA -0.430 52.618 53.050 -0.003 0.000 0.788 342 N CB 2.261 40.747 38.487 -0.001 0.000 1.361 342 N HN 0.560 nan 8.380 nan 0.000 0.489 343 A N 1.003 123.819 122.820 -0.005 0.000 2.317 343 A HA 0.645 4.963 4.320 -0.004 0.000 0.327 343 A C -0.542 177.044 177.584 0.004 0.000 1.178 343 A CA -0.533 51.498 52.037 -0.009 0.000 0.817 343 A CB 0.803 19.790 19.000 -0.022 0.000 1.189 343 A HN 0.369 nan 8.150 nan 0.000 0.489 344 V N 2.093 122.011 119.914 0.005 0.000 2.407 344 V HA 0.623 4.741 4.120 -0.004 0.000 0.291 344 V C 0.672 176.780 176.094 0.024 0.000 1.018 344 V CA -0.209 62.100 62.300 0.014 0.000 0.842 344 V CB 1.609 33.438 31.823 0.010 0.000 0.996 344 V HN 1.155 nan 8.190 nan 0.000 0.426 345 G N 3.517 112.339 108.800 0.036 0.000 2.356 345 G HA2 0.677 4.635 3.960 -0.004 0.000 0.322 345 G HA3 0.677 4.635 3.960 -0.004 0.000 0.322 345 G C -0.598 174.327 174.900 0.043 0.000 1.125 345 G CA -0.457 44.675 45.100 0.053 0.000 0.885 345 G HN 0.907 nan 8.290 nan 0.000 0.467 346 V N -0.646 119.299 119.914 0.053 0.000 2.864 346 V HA 0.923 5.041 4.120 -0.004 0.000 0.314 346 V C 0.027 176.152 176.094 0.051 0.000 1.073 346 V CA -1.289 61.038 62.300 0.044 0.000 0.956 346 V CB 1.746 33.596 31.823 0.044 0.000 1.023 346 V HN 1.269 nan 8.190 nan 0.000 0.435 347 A N 4.173 127.015 122.820 0.037 0.000 2.360 347 A HA 0.907 5.224 4.320 -0.004 0.000 0.309 347 A C -2.427 175.180 177.584 0.037 0.000 1.311 347 A CA -1.656 50.404 52.037 0.038 0.000 0.805 347 A CB 0.658 19.672 19.000 0.023 0.000 1.144 347 A HN 0.756 nan 8.150 nan 0.000 0.486 348 P HA 0.348 nan 4.420 nan 0.000 0.307 348 P C -0.347 176.973 177.300 0.035 0.000 1.306 348 P CA -0.378 62.742 63.100 0.033 0.000 0.742 348 P CB 0.627 32.344 31.700 0.029 0.000 1.349 349 I N -0.402 120.186 120.570 0.029 0.000 2.307 349 I HA 0.322 4.490 4.170 -0.004 0.000 0.287 349 I C 0.344 176.481 176.117 0.033 0.000 1.054 349 I CA -0.513 60.807 61.300 0.033 0.000 1.218 349 I CB -0.019 37.994 38.000 0.021 0.000 1.398 349 I HN 0.474 nan 8.210 nan 0.000 0.475 350 A N 4.939 127.784 122.820 0.041 0.000 2.687 350 A HA -0.140 4.178 4.320 -0.004 0.000 0.299 350 A C 1.464 179.062 177.584 0.023 0.000 1.497 350 A CA 0.860 52.920 52.037 0.038 0.000 0.751 350 A CB -1.836 17.187 19.000 0.038 0.000 1.048 350 A HN 1.635 nan 8.150 nan 0.000 0.464 351 G N -1.567 107.240 108.800 0.013 0.000 2.184 351 G HA2 -0.304 3.653 3.960 -0.004 0.000 0.264 351 G HA3 -0.304 3.653 3.960 -0.004 0.000 0.264 351 G C 0.245 175.132 174.900 -0.022 0.000 0.975 351 G CA 1.336 46.423 45.100 -0.022 0.000 0.642 351 G HN 1.993 nan 8.290 nan 0.000 0.536 352 R N 0.537 121.043 120.500 0.010 0.000 2.288 352 R HA 0.541 4.879 4.340 -0.004 0.000 0.330 352 R C 0.996 177.309 176.300 0.023 0.000 1.069 352 R CA 0.328 56.444 56.100 0.027 0.000 0.941 352 R CB 0.456 30.781 30.300 0.042 0.000 0.998 352 R HN 0.745 nan 8.270 nan 0.000 0.452 353 V N 0.644 120.571 119.914 0.022 0.000 5.412 353 V HA 0.785 4.903 4.120 -0.004 0.000 0.289 353 V C -0.543 175.584 176.094 0.056 0.000 1.523 353 V CA -0.059 62.260 62.300 0.032 0.000 0.771 353 V CB 1.329 33.166 31.823 0.023 0.000 1.379 353 V HN 0.868 nan 8.190 nan 0.000 0.431 354 S N -2.607 113.131 115.700 0.065 0.000 2.611 354 S HA 0.567 5.035 4.470 -0.004 0.000 0.270 354 S C 0.620 175.278 174.600 0.096 0.000 1.131 354 S CA -0.011 58.242 58.200 0.088 0.000 0.826 354 S CB 0.611 63.858 63.200 0.078 0.000 1.095 354 S HN 1.906 nan 8.310 nan 0.000 0.461 355 G N 1.228 110.097 108.800 0.114 0.000 2.514 355 G HA2 -0.147 3.810 3.960 -0.004 0.000 0.217 355 G HA3 -0.147 3.810 3.960 -0.004 0.000 0.217 355 G C 1.190 176.136 174.900 0.076 0.000 1.198 355 G CA 1.836 47.003 45.100 0.112 0.000 0.780 355 G HN 0.919 nan 8.290 nan 0.000 0.565 356 T N 1.192 115.779 114.554 0.055 0.000 2.737 356 T HA -0.117 4.231 4.350 -0.004 0.000 0.269 356 T C 2.349 177.076 174.700 0.045 0.000 1.040 356 T CA 1.238 63.361 62.100 0.040 0.000 1.142 356 T CB -0.156 68.729 68.868 0.030 0.000 0.861 356 T HN 0.264 nan 8.240 nan 0.000 0.456 357 I N 0.248 120.850 120.570 0.053 0.000 2.233 357 I HA -0.075 4.093 4.170 -0.004 0.000 0.243 357 I C 2.239 178.396 176.117 0.066 0.000 1.093 357 I CA 1.006 62.338 61.300 0.054 0.000 1.380 357 I CB -0.289 37.742 38.000 0.052 0.000 1.067 357 I HN 0.192 nan 8.210 nan 0.000 0.413 358 L N 0.075 121.349 121.223 0.085 0.000 2.079 358 L HA -0.220 4.118 4.340 -0.004 0.000 0.210 358 L C 2.561 179.481 176.870 0.085 0.000 1.081 358 L CA 1.556 56.460 54.840 0.107 0.000 0.752 358 L CB -0.909 41.234 42.059 0.139 0.000 0.896 358 L HN 0.278 nan 8.230 nan 0.000 0.433 359 T N -0.329 114.267 114.554 0.070 0.000 2.812 359 T HA -0.088 4.259 4.350 -0.004 0.000 0.264 359 T C 2.049 176.773 174.700 0.041 0.000 1.042 359 T CA 1.092 63.224 62.100 0.052 0.000 1.140 359 T CB -0.203 68.689 68.868 0.041 0.000 0.870 359 T HN 0.428 nan 8.240 nan 0.000 0.445 360 A N 1.176 124.019 122.820 0.040 0.000 1.908 360 A HA -0.075 4.243 4.320 -0.004 0.000 0.218 360 A C 2.561 180.165 177.584 0.032 0.000 1.181 360 A CA 1.423 53.479 52.037 0.032 0.000 0.627 360 A CB -1.061 17.958 19.000 0.031 0.000 0.818 360 A HN 0.361 nan 8.150 nan 0.000 0.445 361 V N -0.252 119.687 119.914 0.042 0.000 2.427 361 V HA -0.219 3.899 4.120 -0.004 0.000 0.248 361 V C 3.026 179.139 176.094 0.031 0.000 1.051 361 V CA 1.762 64.086 62.300 0.041 0.000 1.048 361 V CB -1.206 30.653 31.823 0.060 0.000 0.666 361 V HN 0.622 nan 8.190 nan 0.000 0.456 362 A N 0.002 122.843 122.820 0.034 0.000 1.940 362 A HA -0.257 4.061 4.320 -0.004 0.000 0.219 362 A C 1.990 179.585 177.584 0.017 0.000 1.176 362 A CA 2.071 54.123 52.037 0.024 0.000 0.631 362 A CB -0.531 18.486 19.000 0.029 0.000 0.814 362 A HN 0.561 nan 8.150 nan 0.000 0.446 363 D N -0.105 120.306 120.400 0.018 0.000 2.183 363 D HA -0.047 4.591 4.640 -0.004 0.000 0.203 363 D C 1.964 178.271 176.300 0.011 0.000 0.969 363 D CA 0.761 54.769 54.000 0.013 0.000 0.842 363 D CB -0.272 40.536 40.800 0.013 0.000 0.957 363 D HN 0.454 nan 8.370 nan 0.000 0.484 364 L N 0.227 121.458 121.223 0.014 0.000 2.046 364 L HA -0.134 4.204 4.340 -0.004 0.000 0.208 364 L C 2.633 179.508 176.870 0.008 0.000 1.077 364 L CA 0.845 55.692 54.840 0.011 0.000 0.747 364 L CB -0.314 41.754 42.059 0.015 0.000 0.896 364 L HN -0.003 nan 8.230 nan 0.000 0.432 365 M N -0.739 118.865 119.600 0.007 0.000 2.108 365 M HA -0.229 4.248 4.480 -0.004 0.000 0.261 365 M C 2.507 178.807 176.300 0.000 0.000 1.066 365 M CA 1.992 57.292 55.300 0.002 0.000 1.107 365 M CB -0.495 32.104 32.600 -0.002 0.000 1.356 365 M HN 0.344 nan 8.290 nan 0.000 0.406 366 A N 0.107 122.929 122.820 0.003 0.000 1.877 366 A HA -0.163 4.155 4.320 -0.004 0.000 0.216 366 A C 2.125 179.710 177.584 0.002 0.000 1.186 366 A CA 1.567 53.605 52.037 0.002 0.000 0.620 366 A CB -0.707 18.295 19.000 0.004 0.000 0.822 366 A HN 0.400 nan 8.150 nan 0.000 0.443 367 R N -0.822 119.680 120.500 0.003 0.000 2.139 367 R HA -0.166 4.172 4.340 -0.004 0.000 0.243 367 R C 1.920 178.221 176.300 0.002 0.000 1.145 367 R CA 1.281 57.383 56.100 0.003 0.000 0.976 367 R CB -0.284 30.018 30.300 0.004 0.000 0.866 367 R HN 0.522 nan 8.270 nan 0.000 0.449 368 A N -0.946 121.875 122.820 0.001 0.000 2.308 368 A HA 0.266 4.584 4.320 -0.004 0.000 0.217 368 A C 1.164 178.747 177.584 -0.002 0.000 1.216 368 A CA 0.607 52.644 52.037 -0.000 0.000 0.864 368 A CB 0.411 19.411 19.000 0.000 0.000 0.902 368 A HN 0.406 nan 8.150 nan 0.000 0.499 369 G N -0.374 108.425 108.800 -0.002 0.000 2.147 369 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.244 369 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.244 369 G C 0.264 175.160 174.900 -0.006 0.000 1.005 369 G CA 0.612 45.709 45.100 -0.004 0.000 0.713 369 G HN 1.392 nan 8.290 nan 0.000 0.515 370 S N -0.841 114.854 115.700 -0.008 0.000 2.475 370 S HA 0.614 5.082 4.470 -0.004 0.000 0.298 370 S C 0.199 174.790 174.600 -0.016 0.000 1.119 370 S CA 0.245 58.438 58.200 -0.013 0.000 1.085 370 S CB 1.904 65.096 63.200 -0.014 0.000 1.028 370 S HN 0.281 nan 8.310 nan 0.000 0.489 371 D N 2.468 122.856 120.400 -0.020 0.000 2.535 371 D HA 0.281 4.919 4.640 -0.004 0.000 0.229 371 D C -0.301 175.977 176.300 -0.037 0.000 1.238 371 D CA -0.097 53.888 54.000 -0.024 0.000 0.824 371 D CB 0.340 41.129 40.800 -0.019 0.000 1.045 371 D HN 0.495 nan 8.370 nan 0.000 0.500 372 R N 0.517 120.991 120.500 -0.043 0.000 2.532 372 R HA 0.616 4.954 4.340 -0.004 0.000 0.297 372 R C -1.150 175.104 176.300 -0.075 0.000 0.984 372 R CA -0.673 55.390 56.100 -0.062 0.000 0.884 372 R CB 2.565 32.832 30.300 -0.056 0.000 1.182 372 R HN 0.121 nan 8.270 nan 0.000 0.442 373 I N 1.339 121.840 120.570 -0.114 0.000 2.769 373 I HA 0.606 4.774 4.170 -0.004 0.000 0.298 373 I C -1.353 174.632 176.117 -0.220 0.000 1.128 373 I CA -1.080 60.136 61.300 -0.141 0.000 1.031 373 I CB 2.053 39.967 38.000 -0.143 0.000 1.235 373 I HN 0.521 nan 8.210 nan 0.000 0.423 374 R N 4.813 125.197 120.500 -0.193 0.000 2.621 374 R HA 0.564 4.902 4.340 -0.004 0.000 0.292 374 R C -1.492 174.739 176.300 -0.115 0.000 0.969 374 R CA -0.357 55.624 56.100 -0.197 0.000 0.887 374 R CB 1.554 31.797 30.300 -0.095 0.000 1.180 374 R HN 0.332 nan 8.270 nan 0.000 0.450 375 F N 0.129 120.079 119.950 -0.001 0.000 2.380 375 F HA 0.431 4.956 4.527 -0.004 0.000 0.325 375 F C 0.946 176.758 175.800 0.020 0.000 1.136 375 F CA -0.381 57.623 58.000 0.008 0.000 1.171 375 F CB 1.130 40.127 39.000 -0.005 0.000 1.230 375 F HN 0.270 nan 8.300 nan 0.000 0.554 376 T N 2.886 117.591 114.554 0.251 0.000 2.888 376 T HA 0.298 4.646 4.350 -0.004 0.000 0.284 376 T C -2.166 172.601 174.700 0.112 0.000 1.017 376 T CA -1.324 60.890 62.100 0.189 0.000 1.022 376 T CB 1.857 70.860 68.868 0.226 0.000 1.013 376 T HN 0.210 nan 8.240 nan 0.000 0.465 377 P HA 0.090 nan 4.420 nan 0.000 0.251 377 P C -0.363 176.666 177.300 -0.452 0.000 1.251 377 P CA 0.620 63.622 63.100 -0.164 0.000 0.763 377 P CB -0.220 31.359 31.700 -0.201 0.000 1.067 378 Y N -0.891 119.431 120.300 0.037 0.000 2.715 378 Y HA 0.224 4.772 4.550 -0.003 0.000 0.255 378 Y C 0.497 176.409 175.900 0.021 0.000 1.139 378 Y CA -0.390 57.724 58.100 0.024 0.000 1.151 378 Y CB -0.239 38.234 38.460 0.022 0.000 1.201 378 Y HN -0.115 nan 8.280 nan 0.000 0.556 379 Q N -0.535 119.308 119.800 0.071 0.000 2.478 379 Q HA -0.238 4.099 4.340 -0.004 0.000 0.286 379 Q C -0.620 175.414 176.000 0.056 0.000 1.299 379 Q CA 0.754 56.573 55.803 0.027 0.000 0.826 379 Q CB -1.472 27.274 28.738 0.013 0.000 1.199 379 Q HN 0.404 nan 8.270 nan 0.000 0.451 380 K N 0.252 120.716 120.400 0.107 0.000 2.378 380 K HA 0.853 5.171 4.320 -0.004 0.000 0.244 380 K C -0.616 176.088 176.600 0.175 0.000 1.039 380 K CA -0.805 55.556 56.287 0.122 0.000 0.863 380 K CB 1.373 33.952 32.500 0.132 0.000 1.326 380 K HN 0.187 nan 8.250 nan 0.000 0.460 381 L N -0.981 120.344 121.223 0.170 0.000 2.422 381 L HA 0.826 5.164 4.340 -0.004 0.000 0.264 381 L C -1.023 175.918 176.870 0.118 0.000 0.984 381 L CA -1.293 53.672 54.840 0.208 0.000 0.819 381 L CB 1.743 43.979 42.059 0.295 0.000 1.330 381 L HN 0.354 nan 8.230 nan 0.000 0.410 382 V N 2.985 122.945 119.914 0.076 0.000 2.656 382 V HA 0.612 4.729 4.120 -0.004 0.000 0.307 382 V C -0.722 175.366 176.094 -0.009 0.000 1.051 382 V CA -0.418 61.900 62.300 0.031 0.000 0.893 382 V CB 2.067 33.903 31.823 0.021 0.000 0.999 382 V HN 0.628 nan 8.190 nan 0.000 0.426 383 I N 6.841 127.407 120.570 -0.007 0.000 2.336 383 I HA 0.443 4.610 4.170 -0.004 0.000 0.292 383 I C 0.167 176.269 176.117 -0.025 0.000 0.991 383 I CA -0.333 60.955 61.300 -0.021 0.000 1.227 383 I CB 1.177 39.173 38.000 -0.007 0.000 1.366 383 I HN 0.593 nan 8.210 nan 0.000 0.466 384 L N 4.613 125.814 121.223 -0.036 0.000 2.416 384 L HA 0.453 4.791 4.340 -0.004 0.000 0.263 384 L C 0.097 176.952 176.870 -0.024 0.000 1.065 384 L CA -0.757 54.063 54.840 -0.033 0.000 0.798 384 L CB 0.472 42.505 42.059 -0.043 0.000 1.267 384 L HN 0.542 nan 8.230 nan 0.000 0.467 385 D N 0.307 120.696 120.400 -0.020 0.000 2.746 385 D HA -0.146 4.492 4.640 -0.004 0.000 0.236 385 D C -0.620 175.674 176.300 -0.011 0.000 1.129 385 D CA 0.640 54.632 54.000 -0.015 0.000 0.691 385 D CB -1.217 39.574 40.800 -0.016 0.000 1.077 385 D HN 0.109 nan 8.370 nan 0.000 0.432 386 I N 1.067 121.632 120.570 -0.009 0.000 2.301 386 I HA 0.226 4.394 4.170 -0.004 0.000 0.292 386 I C -1.668 174.447 176.117 -0.004 0.000 1.046 386 I CA -2.332 58.965 61.300 -0.005 0.000 1.282 386 I CB 0.128 38.126 38.000 -0.003 0.000 1.409 386 I HN -0.176 nan 8.210 nan 0.000 0.484 387 P HA 0.137 nan 4.420 nan 0.000 0.274 387 P C 0.243 177.542 177.300 -0.001 0.000 1.231 387 P CA -0.196 62.903 63.100 -0.002 0.000 0.790 387 P CB 1.436 33.135 31.700 -0.002 0.000 0.951 388 D N 1.815 122.215 120.400 -0.001 0.000 2.133 388 D HA -0.183 4.455 4.640 -0.004 0.000 0.195 388 D C 2.031 178.330 176.300 -0.000 0.000 0.997 388 D CA 2.078 56.078 54.000 -0.000 0.000 0.840 388 D CB -0.759 40.041 40.800 -0.000 0.000 0.947 388 D HN 0.434 nan 8.370 nan 0.000 0.452 389 A N 0.267 123.087 122.820 -0.000 0.000 1.948 389 A HA -0.141 4.177 4.320 -0.004 0.000 0.220 389 A C 2.228 179.812 177.584 0.000 0.000 1.177 389 A CA 1.122 53.159 52.037 0.000 0.000 0.636 389 A CB -0.548 18.452 19.000 0.000 0.000 0.815 389 A HN 0.291 nan 8.150 nan 0.000 0.449 390 L N -1.173 120.050 121.223 0.000 0.000 2.640 390 L HA 0.136 4.474 4.340 -0.004 0.000 0.230 390 L C 2.027 178.898 176.870 0.001 0.000 1.123 390 L CA -0.238 54.603 54.840 0.001 0.000 0.900 390 L CB -0.032 42.028 42.059 0.000 0.000 1.146 390 L HN 0.334 nan 8.230 nan 0.000 0.484 391 L N 0.419 121.642 121.223 0.001 0.000 1.970 391 L HA -0.220 4.118 4.340 -0.004 0.000 0.212 391 L C 2.103 178.974 176.870 0.002 0.000 1.071 391 L CA 2.014 56.855 54.840 0.001 0.000 0.751 391 L CB -0.529 41.530 42.059 0.001 0.000 0.889 391 L HN 0.209 nan 8.230 nan 0.000 0.432 392 D N -0.261 120.139 120.400 0.001 0.000 2.116 392 D HA -0.212 4.426 4.640 -0.004 0.000 0.193 392 D C 1.801 178.103 176.300 0.003 0.000 0.998 392 D CA 1.669 55.670 54.000 0.002 0.000 0.836 392 D CB -0.211 40.590 40.800 0.001 0.000 0.951 392 D HN 0.438 nan 8.370 nan 0.000 0.449 393 D N 0.299 120.700 120.400 0.003 0.000 2.104 393 D HA -0.134 4.504 4.640 -0.004 0.000 0.194 393 D C 2.220 178.523 176.300 0.005 0.000 0.994 393 D CA 0.288 54.290 54.000 0.004 0.000 0.830 393 D CB -0.485 40.317 40.800 0.003 0.000 0.959 393 D HN 0.120 nan 8.370 nan 0.000 0.452 394 L N 1.179 122.405 121.223 0.005 0.000 1.971 394 L HA -0.201 4.137 4.340 -0.004 0.000 0.215 394 L C 2.175 179.050 176.870 0.008 0.000 1.072 394 L CA 1.479 56.323 54.840 0.007 0.000 0.758 394 L CB -0.616 41.447 42.059 0.006 0.000 0.889 394 L HN -0.001 nan 8.230 nan 0.000 0.433 395 I N -0.077 120.497 120.570 0.007 0.000 2.145 395 I HA -0.354 3.814 4.170 -0.004 0.000 0.244 395 I C 2.664 178.786 176.117 0.008 0.000 1.075 395 I CA 1.742 63.046 61.300 0.007 0.000 1.332 395 I CB -2.010 35.992 38.000 0.004 0.000 1.033 395 I HN 0.420 nan 8.210 nan 0.000 0.410 396 A N 1.045 123.869 122.820 0.006 0.000 1.873 396 A HA -0.064 4.254 4.320 -0.004 0.000 0.215 396 A C 2.562 180.151 177.584 0.009 0.000 1.186 396 A CA 1.821 53.862 52.037 0.007 0.000 0.616 396 A CB -1.416 17.587 19.000 0.005 0.000 0.823 396 A HN 0.423 nan 8.150 nan 0.000 0.442 397 G N -0.035 108.771 108.800 0.009 0.000 2.505 397 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.220 397 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.220 397 G C 1.568 176.477 174.900 0.014 0.000 1.145 397 G CA 1.227 46.334 45.100 0.011 0.000 0.761 397 G HN 0.436 nan 8.290 nan 0.000 0.571 398 L N 0.106 121.338 121.223 0.016 0.000 2.056 398 L HA -0.047 4.291 4.340 -0.004 0.000 0.207 398 L C 2.607 179.488 176.870 0.018 0.000 1.078 398 L CA 1.130 55.982 54.840 0.020 0.000 0.749 398 L CB -0.386 41.685 42.059 0.021 0.000 0.901 398 L HN 0.090 nan 8.230 nan 0.000 0.433 399 D N 0.332 120.740 120.400 0.014 0.000 2.104 399 D HA -0.188 4.450 4.640 -0.004 0.000 0.194 399 D C 2.209 178.516 176.300 0.012 0.000 0.994 399 D CA 1.614 55.621 54.000 0.012 0.000 0.830 399 D CB -0.048 40.758 40.800 0.009 0.000 0.959 399 D HN 0.302 nan 8.370 nan 0.000 0.452 400 A N 0.223 123.049 122.820 0.011 0.000 2.076 400 A HA -0.112 4.206 4.320 -0.004 0.000 0.220 400 A C 2.182 179.773 177.584 0.012 0.000 1.160 400 A CA 0.858 52.901 52.037 0.011 0.000 0.653 400 A CB -0.562 18.444 19.000 0.010 0.000 0.801 400 A HN 0.266 nan 8.150 nan 0.000 0.455 401 L N -1.428 119.804 121.223 0.016 0.000 2.592 401 L HA 0.245 4.583 4.340 -0.004 0.000 0.227 401 L C 1.548 178.429 176.870 0.019 0.000 1.127 401 L CA 0.496 55.348 54.840 0.019 0.000 0.884 401 L CB -0.060 42.014 42.059 0.025 0.000 1.065 401 L HN 0.531 nan 8.230 nan 0.000 0.457 402 G N 0.712 109.521 108.800 0.016 0.000 2.137 402 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.237 402 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.237 402 G C 0.025 174.938 174.900 0.020 0.000 1.002 402 G CA -0.271 44.838 45.100 0.016 0.000 0.702 402 G HN 0.233 nan 8.290 nan 0.000 0.515 403 L N 1.165 122.402 121.223 0.024 0.000 2.297 403 L HA 0.395 4.733 4.340 -0.004 0.000 0.277 403 L C 0.541 177.426 176.870 0.023 0.000 1.040 403 L CA -0.515 54.343 54.840 0.029 0.000 0.867 403 L CB 1.089 43.170 42.059 0.037 0.000 1.244 403 L HN 0.217 nan 8.230 nan 0.000 0.433 404 Q N 0.997 120.809 119.800 0.020 0.000 2.256 404 Q HA 0.182 4.520 4.340 -0.004 0.000 0.254 404 Q C 0.825 176.830 176.000 0.008 0.000 0.916 404 Q CA -0.308 55.502 55.803 0.012 0.000 0.932 404 Q CB 1.769 30.513 28.738 0.009 0.000 1.207 404 Q HN 0.698 nan 8.270 nan 0.000 0.426 405 S N 2.305 118.007 115.700 0.004 0.000 2.501 405 S HA 0.056 4.524 4.470 -0.004 0.000 0.220 405 S C 0.718 175.308 174.600 -0.017 0.000 0.997 405 S CA 0.038 58.238 58.200 -0.001 0.000 0.919 405 S CB 0.228 63.430 63.200 0.003 0.000 0.778 405 S HN 0.489 nan 8.310 nan 0.000 0.523 406 R N 2.440 122.928 120.500 -0.021 0.000 2.724 406 R HA 0.387 4.725 4.340 -0.004 0.000 0.284 406 R C -2.813 173.462 176.300 -0.040 0.000 1.481 406 R CA -1.456 54.621 56.100 -0.039 0.000 1.652 406 R CB 0.949 31.230 30.300 -0.032 0.000 1.175 406 R HN 0.391 nan 8.270 nan 0.000 0.613 407 P HA 0.096 nan 4.420 nan 0.000 0.278 407 P C -0.055 177.201 177.300 -0.074 0.000 1.258 407 P CA -0.419 62.660 63.100 -0.036 0.000 0.811 407 P CB 1.122 32.807 31.700 -0.024 0.000 1.063 408 S N -0.154 115.532 115.700 -0.023 0.000 2.584 408 S HA 0.007 4.475 4.470 -0.004 0.000 0.270 408 S C 1.440 175.966 174.600 -0.124 0.000 1.346 408 S CA -0.121 58.064 58.200 -0.026 0.000 1.018 408 S CB -0.298 62.988 63.200 0.144 0.000 0.899 408 S HN 0.417 nan 8.310 nan 0.000 0.542 409 H N 1.090 120.009 119.070 -0.252 0.000 2.292 409 H HA -0.191 4.362 4.556 -0.004 0.000 0.292 409 H C 1.665 176.747 175.328 -0.411 0.000 1.100 409 H CA 2.783 58.558 56.048 -0.456 0.000 1.238 409 H CB -0.363 28.887 29.762 -0.853 0.000 1.355 409 H HN 0.812 nan 8.280 nan 0.000 0.484 410 W N 0.925 122.300 121.300 0.125 0.000 2.354 410 W HA -0.102 4.556 4.660 -0.003 0.000 0.315 410 W C 3.006 179.543 176.519 0.031 0.000 1.206 410 W CA 0.685 58.065 57.345 0.059 0.000 1.290 410 W CB -0.340 29.147 29.460 0.045 0.000 1.152 410 W HN 0.059 nan 8.180 nan 0.000 0.489 411 R N 1.128 121.769 120.500 0.235 0.000 2.092 411 R HA -0.155 4.183 4.340 -0.004 0.000 0.231 411 R C 2.295 178.636 176.300 0.069 0.000 1.119 411 R CA 1.665 57.843 56.100 0.129 0.000 0.970 411 R CB -0.346 30.009 30.300 0.092 0.000 0.864 411 R HN 0.152 nan 8.270 nan 0.000 0.440 412 R N 0.130 120.640 120.500 0.018 0.000 2.066 412 R HA -0.046 4.292 4.340 -0.004 0.000 0.232 412 R C 0.932 177.225 176.300 -0.011 0.000 1.131 412 R CA 1.793 57.878 56.100 -0.025 0.000 0.955 412 R CB 0.002 30.240 30.300 -0.103 0.000 0.851 412 R HN 0.223 nan 8.270 nan 0.000 0.432 413 N N 0.294 118.989 118.700 -0.009 0.000 2.230 413 N HA 0.046 4.784 4.740 -0.004 0.000 0.202 413 N C -0.484 175.066 175.510 0.066 0.000 1.119 413 N CA 0.004 53.051 53.050 -0.006 0.000 0.851 413 N CB 0.642 39.087 38.487 -0.069 0.000 0.990 413 N HN 0.220 nan 8.380 nan 0.000 0.497 414 L N 0.803 122.087 121.223 0.103 0.000 2.307 414 L HA 0.473 4.810 4.340 -0.004 0.000 0.282 414 L C -0.611 176.322 176.870 0.104 0.000 1.051 414 L CA -0.325 54.589 54.840 0.124 0.000 0.804 414 L CB 0.996 43.141 42.059 0.143 0.000 1.197 414 L HN -0.182 nan 8.230 nan 0.000 0.431 415 M N 4.351 124.013 119.600 0.103 0.000 2.644 415 M HA 0.793 5.271 4.480 -0.004 0.000 0.304 415 M C -0.900 175.438 176.300 0.065 0.000 1.215 415 M CA -0.689 54.662 55.300 0.084 0.000 0.871 415 M CB 2.325 34.980 32.600 0.091 0.000 1.740 415 M HN 0.706 nan 8.290 nan 0.000 0.464 416 A N 0.591 123.439 122.820 0.048 0.000 2.572 416 A HA 0.760 5.078 4.320 -0.004 0.000 0.295 416 A C -0.638 176.968 177.584 0.036 0.000 1.072 416 A CA -0.835 51.227 52.037 0.041 0.000 0.691 416 A CB 0.758 19.775 19.000 0.029 0.000 1.291 416 A HN 1.123 nan 8.150 nan 0.000 0.404 417 C N -0.385 118.939 119.300 0.041 0.000 2.638 417 C HA 0.727 5.185 4.460 -0.004 0.000 0.348 417 C C 1.821 176.837 174.990 0.044 0.000 1.860 417 C CA 0.395 59.432 59.018 0.031 0.000 1.955 417 C CB 0.367 28.122 27.740 0.025 0.000 1.922 417 C HN 0.840 nan 8.230 nan 0.000 0.519 418 S N 0.242 115.970 115.700 0.048 0.000 2.357 418 S HA 0.370 4.837 4.470 -0.004 0.000 0.221 418 S C 1.330 175.957 174.600 0.044 0.000 1.031 418 S CA 1.277 59.525 58.200 0.080 0.000 0.982 418 S CB -1.227 62.043 63.200 0.117 0.000 0.853 418 S HN 2.016 nan 8.310 nan 0.000 0.458 419 G N 1.123 109.937 108.800 0.023 0.000 2.752 419 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.234 419 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.234 419 G C 0.463 175.343 174.900 -0.033 0.000 1.367 419 G CA -0.055 45.049 45.100 0.006 0.000 0.879 419 G HN 0.417 nan 8.290 nan 0.000 0.563 420 I N 0.580 121.126 120.570 -0.041 0.000 2.850 420 I HA -0.074 4.094 4.170 -0.004 0.000 0.266 420 I C 2.399 178.444 176.117 -0.119 0.000 1.257 420 I CA 2.134 63.398 61.300 -0.061 0.000 1.465 420 I CB -0.148 37.836 38.000 -0.027 0.000 1.091 420 I HN 0.739 nan 8.210 nan 0.000 0.467 421 E N 0.333 120.418 120.200 -0.191 0.000 2.160 421 E HA -0.238 4.109 4.350 -0.004 0.000 0.195 421 E C 0.972 177.155 176.600 -0.695 0.000 0.991 421 E CA 1.507 57.643 56.400 -0.442 0.000 0.810 421 E CB 0.138 29.535 29.700 -0.505 0.000 0.742 421 E HN 0.568 nan 8.360 nan 0.000 0.466 422 F N -1.652 118.160 119.950 -0.230 0.000 2.953 422 F HA 0.196 4.721 4.527 -0.004 0.000 0.382 422 F C 0.411 176.098 175.800 -0.188 0.000 0.965 422 F CA -0.677 57.120 58.000 -0.339 0.000 1.081 422 F CB 0.216 38.781 39.000 -0.724 0.000 1.132 422 F HN -0.062 nan 8.300 nan 0.000 0.567 423 C N 2.234 121.553 119.300 0.031 0.000 2.388 423 C HA 0.307 4.765 4.460 -0.004 0.000 0.362 423 C C 1.622 176.591 174.990 -0.036 0.000 1.266 423 C CA -0.283 58.737 59.018 0.003 0.000 2.028 423 C CB 0.241 27.967 27.740 -0.023 0.000 2.440 423 C HN 0.453 nan 8.230 nan 0.000 0.547 424 K N 3.431 123.814 120.400 -0.030 0.000 2.486 424 K HA 0.089 4.407 4.320 -0.004 0.000 0.194 424 K C 0.826 177.371 176.600 -0.090 0.000 1.033 424 K CA 0.981 57.242 56.287 -0.045 0.000 1.004 424 K CB 0.105 32.596 32.500 -0.015 0.000 0.798 424 K HN 0.691 nan 8.250 nan 0.000 0.495 425 L N 0.639 121.781 121.223 -0.136 0.000 2.808 425 L HA 0.134 4.471 4.340 -0.004 0.000 0.246 425 L C 0.033 176.613 176.870 -0.484 0.000 1.153 425 L CA -0.334 54.361 54.840 -0.241 0.000 0.956 425 L CB 0.443 42.412 42.059 -0.151 0.000 1.270 425 L HN -0.034 nan 8.230 nan 0.000 0.528 426 S N -0.788 114.678 115.700 -0.390 0.000 2.586 426 S HA 0.421 4.889 4.470 -0.004 0.000 0.274 426 S C 0.185 174.482 174.600 -0.506 0.000 1.281 426 S CA -0.552 57.403 58.200 -0.409 0.000 1.035 426 S CB 1.019 64.124 63.200 -0.157 0.000 0.962 426 S HN 0.053 nan 8.310 nan 0.000 0.512 427 F N 0.343 120.279 119.950 -0.024 0.000 2.731 427 F HA 0.568 5.093 4.527 -0.004 0.000 0.298 427 F C 1.129 176.870 175.800 -0.099 0.000 1.106 427 F CA -0.045 57.921 58.000 -0.056 0.000 1.329 427 F CB -0.152 38.796 39.000 -0.087 0.000 1.100 427 F HN 0.791 nan 8.300 nan 0.000 0.592 428 A N -0.469 122.364 122.820 0.022 0.000 2.566 428 A HA 0.657 4.975 4.320 -0.004 0.000 0.292 428 A C -1.157 176.460 177.584 0.056 0.000 1.112 428 A CA -0.633 51.396 52.037 -0.014 0.000 0.707 428 A CB 1.125 19.993 19.000 -0.221 0.000 1.302 428 A HN -0.069 nan 8.150 nan 0.000 0.409 429 E N -0.048 120.201 120.200 0.083 0.000 2.283 429 E HA 0.555 4.903 4.350 -0.004 0.000 0.278 429 E C 0.779 177.459 176.600 0.132 0.000 1.027 429 E CA 0.681 57.123 56.400 0.070 0.000 0.843 429 E CB 1.002 30.721 29.700 0.031 0.000 1.062 429 E HN 0.718 nan 8.360 nan 0.000 0.401 430 T N 1.330 115.934 114.554 0.083 0.000 3.358 430 T HA 0.160 4.507 4.350 -0.004 0.000 0.263 430 T C 1.672 176.396 174.700 0.040 0.000 0.998 430 T CA -0.105 62.040 62.100 0.075 0.000 1.130 430 T CB -0.314 68.608 68.868 0.089 0.000 1.165 430 T HN 0.341 nan 8.240 nan 0.000 0.426 431 R N 0.903 121.427 120.500 0.040 0.000 2.092 431 R HA 0.064 4.402 4.340 -0.004 0.000 0.231 431 R C 2.224 178.552 176.300 0.046 0.000 1.119 431 R CA 1.243 57.369 56.100 0.044 0.000 0.970 431 R CB -0.395 29.942 30.300 0.061 0.000 0.864 431 R HN 0.353 nan 8.270 nan 0.000 0.440 432 V N 0.342 120.284 119.914 0.046 0.000 2.407 432 V HA -0.141 3.977 4.120 -0.004 0.000 0.245 432 V C 2.296 178.488 176.094 0.164 0.000 1.041 432 V CA 1.632 63.983 62.300 0.084 0.000 1.040 432 V CB -0.580 31.281 31.823 0.064 0.000 0.671 432 V HN 0.242 nan 8.190 nan 0.000 0.455 433 R N 1.538 122.100 120.500 0.103 0.000 2.094 433 R HA -0.196 4.142 4.340 -0.004 0.000 0.239 433 R C 2.226 178.578 176.300 0.087 0.000 1.137 433 R CA 2.119 58.269 56.100 0.084 0.000 0.943 433 R CB -1.112 29.195 30.300 0.011 0.000 0.850 433 R HN 0.448 nan 8.270 nan 0.000 0.433 434 A N 0.223 123.064 122.820 0.035 0.000 1.986 434 A HA -0.218 4.100 4.320 -0.004 0.000 0.220 434 A C 1.930 179.529 177.584 0.025 0.000 1.171 434 A CA 1.699 53.745 52.037 0.015 0.000 0.640 434 A CB -0.516 18.493 19.000 0.015 0.000 0.811 434 A HN 0.440 nan 8.150 nan 0.000 0.451 435 Q N -0.786 119.028 119.800 0.024 0.000 2.224 435 Q HA -0.160 4.178 4.340 -0.004 0.000 0.203 435 Q C 1.525 177.432 176.000 -0.155 0.000 0.970 435 Q CA 1.864 57.624 55.803 -0.072 0.000 0.865 435 Q CB -0.462 28.196 28.738 -0.132 0.000 0.922 435 Q HN 0.934 nan 8.270 nan 0.000 0.445 436 H N -0.846 118.213 119.070 -0.019 0.000 2.520 436 H HA 0.059 4.612 4.556 -0.004 0.000 0.279 436 H C 1.622 176.925 175.328 -0.042 0.000 0.990 436 H CA 0.246 56.279 56.048 -0.026 0.000 1.288 436 H CB 0.252 29.997 29.762 -0.029 0.000 1.446 436 H HN 0.037 nan 8.280 nan 0.000 0.538 437 L N 0.093 121.355 121.223 0.066 0.000 2.095 437 L HA -0.026 4.312 4.340 -0.004 0.000 0.204 437 L C 1.896 178.738 176.870 -0.046 0.000 1.080 437 L CA 0.972 55.800 54.840 -0.019 0.000 0.759 437 L CB -0.422 41.597 42.059 -0.067 0.000 0.914 437 L HN 0.061 nan 8.230 nan 0.000 0.439 438 V N 1.089 120.999 119.914 -0.006 0.000 2.255 438 V HA -0.218 3.900 4.120 -0.004 0.000 0.247 438 V C -0.106 175.997 176.094 0.014 0.000 1.051 438 V CA 2.448 64.767 62.300 0.031 0.000 1.018 438 V CB -1.795 30.070 31.823 0.070 0.000 0.641 438 V HN 0.347 nan 8.190 nan 0.000 0.445 439 P HA -0.203 nan 4.420 nan 0.000 0.215 439 P C 1.668 178.955 177.300 -0.022 0.000 1.157 439 P CA 1.759 64.861 63.100 0.003 0.000 0.874 439 P CB -0.016 31.682 31.700 -0.003 0.000 0.790 440 E N -0.200 119.978 120.200 -0.037 0.000 2.033 440 E HA -0.206 4.142 4.350 -0.004 0.000 0.199 440 E C 2.021 178.541 176.600 -0.134 0.000 1.011 440 E CA 1.332 57.693 56.400 -0.065 0.000 0.815 440 E CB -0.674 28.988 29.700 -0.064 0.000 0.755 440 E HN 0.089 nan 8.360 nan 0.000 0.451 441 L N 0.524 121.605 121.223 -0.237 0.000 2.043 441 L HA -0.235 4.103 4.340 -0.004 0.000 0.212 441 L C 2.612 179.249 176.870 -0.389 0.000 1.075 441 L CA 1.586 56.127 54.840 -0.499 0.000 0.752 441 L CB -0.516 41.032 42.059 -0.850 0.000 0.891 441 L HN 0.251 nan 8.230 nan 0.000 0.432 442 E N 0.014 120.134 120.200 -0.133 0.000 2.049 442 E HA -0.272 4.076 4.350 -0.004 0.000 0.198 442 E C 2.290 178.925 176.600 0.057 0.000 1.007 442 E CA 1.850 58.304 56.400 0.090 0.000 0.809 442 E CB -0.063 29.709 29.700 0.120 0.000 0.749 442 E HN 0.533 nan 8.360 nan 0.000 0.450 443 R N 0.254 120.758 120.500 0.006 0.000 2.100 443 R HA 0.069 4.406 4.340 -0.004 0.000 0.220 443 R C 2.249 178.544 176.300 -0.008 0.000 1.091 443 R CA 0.516 56.622 56.100 0.010 0.000 0.986 443 R CB -0.224 30.079 30.300 0.004 0.000 0.888 443 R HN -0.059 nan 8.270 nan 0.000 0.444 444 R N 0.899 121.371 120.500 -0.047 0.000 2.148 444 R HA 0.061 4.399 4.340 -0.004 0.000 0.227 444 R C 1.085 177.361 176.300 -0.042 0.000 1.103 444 R CA 1.006 57.073 56.100 -0.055 0.000 0.983 444 R CB 0.065 30.308 30.300 -0.095 0.000 0.874 444 R HN 0.319 nan 8.270 nan 0.000 0.451 445 L N 0.146 121.351 121.223 -0.031 0.000 3.122 445 L HA 0.133 4.471 4.340 -0.004 0.000 0.274 445 L C 1.782 178.717 176.870 0.109 0.000 1.222 445 L CA -0.220 54.642 54.840 0.036 0.000 1.028 445 L CB 0.523 42.611 42.059 0.049 0.000 1.386 445 L HN 0.042 nan 8.230 nan 0.000 0.578 446 E N 1.431 121.681 120.200 0.083 0.000 2.051 446 E HA -0.288 4.060 4.350 -0.004 0.000 0.192 446 E C 1.334 177.973 176.600 0.065 0.000 0.991 446 E CA 1.639 58.093 56.400 0.091 0.000 0.799 446 E CB 0.118 29.858 29.700 0.067 0.000 0.748 446 E HN 0.498 nan 8.360 nan 0.000 0.449 447 D N 0.533 120.959 120.400 0.043 0.000 5.151 447 D HA -0.270 4.368 4.640 -0.004 0.000 0.243 447 D C 1.711 178.028 176.300 0.029 0.000 1.563 447 D CA 2.481 56.498 54.000 0.029 0.000 0.858 447 D CB -0.497 40.316 40.800 0.022 0.000 0.880 447 D HN 0.384 nan 8.370 nan 0.000 0.721 448 I N 0.060 120.657 120.570 0.045 0.000 4.070 448 I HA 0.047 4.214 4.170 -0.004 0.000 0.328 448 I C 1.529 177.669 176.117 0.038 0.000 1.298 448 I CA 0.044 61.364 61.300 0.035 0.000 1.173 448 I CB -0.066 37.960 38.000 0.043 0.000 1.051 448 I HN -0.006 nan 8.210 nan 0.000 0.409 449 N N 0.898 119.639 118.700 0.069 0.000 2.132 449 N HA -0.258 4.480 4.740 -0.004 0.000 0.191 449 N C 1.999 177.529 175.510 0.032 0.000 1.015 449 N CA 1.989 55.078 53.050 0.066 0.000 0.864 449 N CB -0.110 38.452 38.487 0.125 0.000 1.006 449 N HN 0.458 nan 8.380 nan 0.000 0.430 450 S N -0.419 115.298 115.700 0.029 0.000 2.389 450 S HA -0.283 4.185 4.470 -0.004 0.000 0.231 450 S C 1.855 176.452 174.600 -0.005 0.000 1.052 450 S CA 1.485 59.694 58.200 0.014 0.000 1.053 450 S CB -0.736 62.467 63.200 0.006 0.000 0.886 450 S HN 0.427 nan 8.310 nan 0.000 0.456 451 Q N 0.664 120.451 119.800 -0.022 0.000 2.378 451 Q HA 0.331 4.669 4.340 -0.004 0.000 0.205 451 Q C 0.621 176.588 176.000 -0.056 0.000 0.954 451 Q CA 0.391 56.167 55.803 -0.044 0.000 0.901 451 Q CB -0.262 28.438 28.738 -0.063 0.000 0.981 451 Q HN 0.547 nan 8.270 nan 0.000 0.483 452 L N 2.350 123.523 121.223 -0.084 0.000 2.480 452 L HA 0.037 4.375 4.340 -0.004 0.000 0.243 452 L C 0.139 176.933 176.870 -0.126 0.000 1.315 452 L CA -0.389 54.344 54.840 -0.177 0.000 1.231 452 L CB 0.014 41.808 42.059 -0.441 0.000 1.444 452 L HN 0.281 nan 8.230 nan 0.000 0.409 453 D N -0.491 119.890 120.400 -0.032 0.000 2.378 453 D HA -0.080 4.558 4.640 -0.004 0.000 0.222 453 D C 0.491 176.798 176.300 0.011 0.000 0.980 453 D CA 0.463 54.467 54.000 0.007 0.000 0.907 453 D CB 0.300 41.099 40.800 -0.001 0.000 0.899 453 D HN 0.146 nan 8.370 nan 0.000 0.527 454 V N 0.592 120.507 119.914 0.001 0.000 2.709 454 V HA 0.428 4.546 4.120 -0.004 0.000 0.308 454 V C -2.537 173.528 176.094 -0.049 0.000 1.062 454 V CA -2.175 60.129 62.300 0.007 0.000 0.901 454 V CB 2.497 34.373 31.823 0.088 0.000 1.003 454 V HN -0.027 nan 8.190 nan 0.000 0.425 455 P HA 0.437 nan 4.420 nan 0.000 0.285 455 P C -1.057 176.138 177.300 -0.174 0.000 1.259 455 P CA -0.283 62.766 63.100 -0.084 0.000 0.794 455 P CB 1.250 32.911 31.700 -0.064 0.000 0.940 456 I N 2.789 123.167 120.570 -0.320 0.000 2.337 456 I HA 0.163 4.331 4.170 -0.004 0.000 0.285 456 I C 1.077 177.066 176.117 -0.214 0.000 1.041 456 I CA -0.122 60.964 61.300 -0.356 0.000 1.199 456 I CB 0.624 38.329 38.000 -0.492 0.000 1.370 456 I HN 0.304 nan 8.210 nan 0.000 0.470 457 T N 3.355 117.835 114.554 -0.123 0.000 2.901 457 T HA 0.549 4.897 4.350 -0.004 0.000 0.301 457 T C -0.105 174.617 174.700 0.036 0.000 1.012 457 T CA -0.521 61.566 62.100 -0.021 0.000 1.135 457 T CB 0.940 69.815 68.868 0.012 0.000 0.936 457 T HN 0.189 nan 8.240 nan 0.000 0.539 458 V N 3.790 123.771 119.914 0.112 0.000 2.482 458 V HA 0.451 4.569 4.120 -0.004 0.000 0.295 458 V C -0.937 175.264 176.094 0.177 0.000 1.026 458 V CA -1.063 61.348 62.300 0.186 0.000 0.856 458 V CB 1.657 33.643 31.823 0.272 0.000 1.001 458 V HN 0.910 nan 8.190 nan 0.000 0.424 459 N N 4.772 123.585 118.700 0.188 0.000 2.407 459 N HA 0.623 5.361 4.740 -0.004 0.000 0.277 459 N C -0.862 174.767 175.510 0.198 0.000 0.995 459 N CA -0.375 52.767 53.050 0.153 0.000 0.903 459 N CB 2.219 40.771 38.487 0.109 0.000 1.218 459 N HN 0.579 nan 8.380 nan 0.000 0.487 460 I N 1.670 122.309 120.570 0.116 0.000 2.328 460 I HA 0.322 4.490 4.170 -0.004 0.000 0.287 460 I C -0.232 175.947 176.117 0.103 0.000 1.012 460 I CA -0.589 60.743 61.300 0.053 0.000 1.195 460 I CB 0.677 38.598 38.000 -0.131 0.000 1.350 460 I HN 0.200 nan 8.210 nan 0.000 0.464 461 N N 4.337 123.149 118.700 0.187 0.000 2.361 461 N HA 0.270 5.008 4.740 -0.004 0.000 0.302 461 N C 0.788 176.458 175.510 0.267 0.000 1.074 461 N CA -0.417 52.737 53.050 0.173 0.000 0.850 461 N CB 2.666 41.226 38.487 0.121 0.000 1.228 461 N HN 0.776 nan 8.380 nan 0.000 0.491 462 G N -0.101 108.799 108.800 0.166 0.000 2.920 462 G HA2 0.115 4.073 3.960 -0.004 0.000 0.208 462 G HA3 0.115 4.073 3.960 -0.004 0.000 0.208 462 G C 0.536 175.468 174.900 0.053 0.000 1.159 462 G CA 0.270 45.447 45.100 0.129 0.000 0.784 462 G HN 0.739 nan 8.290 nan 0.000 0.535 463 C N -3.844 115.499 119.300 0.073 0.000 3.211 463 C HA 0.575 5.033 4.460 -0.004 0.000 0.350 463 C C -2.392 172.656 174.990 0.097 0.000 1.413 463 C CA -0.913 58.152 59.018 0.077 0.000 1.203 463 C CB 1.258 28.912 27.740 -0.143 0.000 1.506 463 C HN -0.020 nan 8.230 nan 0.000 0.448 464 P HA 0.070 nan 4.420 nan 0.000 0.233 464 P C 1.059 178.375 177.300 0.026 0.000 1.167 464 P CA 1.071 64.220 63.100 0.081 0.000 0.770 464 P CB -0.100 31.664 31.700 0.106 0.000 0.837 465 N N -0.202 118.507 118.700 0.015 0.000 2.348 465 N HA -0.121 4.616 4.740 -0.004 0.000 0.185 465 N C 0.647 176.140 175.510 -0.029 0.000 1.019 465 N CA 1.133 54.178 53.050 -0.008 0.000 0.880 465 N CB -0.679 37.798 38.487 -0.017 0.000 0.965 465 N HN -0.009 nan 8.380 nan 0.000 0.437 466 S N -1.463 114.221 115.700 -0.026 0.000 3.812 466 S HA -0.176 4.291 4.470 -0.004 0.000 0.341 466 S C 1.250 175.825 174.600 -0.041 0.000 1.057 466 S CA 0.265 58.439 58.200 -0.043 0.000 1.015 466 S CB -1.840 61.309 63.200 -0.084 0.000 0.893 466 S HN 0.504 nan 8.310 nan 0.000 0.476 467 C N 0.297 119.578 119.300 -0.033 0.000 2.422 467 C HA 0.115 4.573 4.460 -0.004 0.000 0.279 467 C C 2.420 177.387 174.990 -0.037 0.000 1.305 467 C CA 0.972 59.965 59.018 -0.042 0.000 1.757 467 C CB -1.383 26.332 27.740 -0.043 0.000 1.962 467 C HN 0.966 nan 8.230 nan 0.000 0.499 468 A N -0.648 122.164 122.820 -0.013 0.000 2.577 468 A HA 0.487 4.805 4.320 -0.004 0.000 0.280 468 A C 0.558 178.147 177.584 0.007 0.000 1.331 468 A CA -0.292 51.745 52.037 0.000 0.000 0.935 468 A CB -0.310 18.707 19.000 0.028 0.000 1.082 468 A HN 0.561 nan 8.150 nan 0.000 0.525 469 R N -0.924 119.567 120.500 -0.015 0.000 2.994 469 R HA -0.166 4.172 4.340 -0.004 0.000 0.267 469 R C 0.478 176.777 176.300 -0.001 0.000 0.914 469 R CA 0.537 56.630 56.100 -0.012 0.000 0.668 469 R CB -2.357 27.942 30.300 -0.000 0.000 1.524 469 R HN 0.638 nan 8.270 nan 0.000 0.478 470 I N 0.596 121.137 120.570 -0.050 0.000 2.179 470 I HA -0.325 3.842 4.170 -0.004 0.000 0.242 470 I C 1.847 177.898 176.117 -0.111 0.000 1.088 470 I CA 1.568 62.805 61.300 -0.105 0.000 1.357 470 I CB -0.071 37.770 38.000 -0.266 0.000 1.051 470 I HN 0.451 nan 8.210 nan 0.000 0.409 471 Q N 0.432 120.173 119.800 -0.099 0.000 2.403 471 Q HA 0.147 4.485 4.340 -0.004 0.000 0.203 471 Q C 1.000 177.119 176.000 0.199 0.000 0.932 471 Q CA 0.541 56.355 55.803 0.018 0.000 0.945 471 Q CB 0.101 28.814 28.738 -0.042 0.000 1.045 471 Q HN 0.712 nan 8.270 nan 0.000 0.511 472 I N -4.124 116.525 120.570 0.133 0.000 3.491 472 I HA 0.682 4.850 4.170 -0.004 0.000 0.332 472 I C -0.237 175.950 176.117 0.116 0.000 1.565 472 I CA -0.899 60.475 61.300 0.124 0.000 1.050 472 I CB 0.441 38.499 38.000 0.097 0.000 1.348 472 I HN -0.157 nan 8.210 nan 0.000 0.506 473 A N 0.458 123.346 122.820 0.113 0.000 2.356 473 A HA 0.524 4.842 4.320 -0.004 0.000 0.323 473 A C 0.294 177.949 177.584 0.117 0.000 1.119 473 A CA -0.453 51.645 52.037 0.103 0.000 0.790 473 A CB 1.212 20.263 19.000 0.084 0.000 1.273 473 A HN 0.248 nan 8.150 nan 0.000 0.452 474 D N 0.386 120.838 120.400 0.086 0.000 2.097 474 D HA -0.061 4.577 4.640 -0.004 0.000 0.195 474 D C 0.278 176.639 176.300 0.100 0.000 0.989 474 D CA 1.890 55.954 54.000 0.107 0.000 0.827 474 D CB -0.003 40.736 40.800 -0.102 0.000 0.966 474 D HN 0.528 nan 8.370 nan 0.000 0.456 475 I N 0.630 121.203 120.570 0.005 0.000 2.437 475 I HA 0.368 4.536 4.170 -0.004 0.000 0.279 475 I C 0.341 176.404 176.117 -0.090 0.000 1.028 475 I CA -0.704 60.581 61.300 -0.025 0.000 1.142 475 I CB 2.018 40.037 38.000 0.031 0.000 1.266 475 I HN -0.217 nan 8.210 nan 0.000 0.461 476 G N 5.339 114.050 108.800 -0.148 0.000 2.371 476 G HA2 0.719 4.677 3.960 -0.004 0.000 0.326 476 G HA3 0.719 4.677 3.960 -0.004 0.000 0.326 476 G C -1.236 173.497 174.900 -0.278 0.000 1.127 476 G CA -0.282 44.767 45.100 -0.085 0.000 0.885 476 G HN 0.329 nan 8.290 nan 0.000 0.477 477 F N 0.490 120.473 119.950 0.055 0.000 2.493 477 F HA 0.454 4.979 4.527 -0.004 0.000 0.329 477 F C 0.431 176.358 175.800 0.211 0.000 1.126 477 F CA -0.822 57.225 58.000 0.078 0.000 0.937 477 F CB 2.803 41.675 39.000 -0.213 0.000 1.146 477 F HN 0.280 nan 8.300 nan 0.000 0.442 478 K N 2.715 123.382 120.400 0.446 0.000 2.334 478 K HA 0.548 4.866 4.320 -0.004 0.000 0.265 478 K C 0.135 176.962 176.600 0.379 0.000 1.039 478 K CA -0.475 56.023 56.287 0.351 0.000 0.920 478 K CB 0.983 33.640 32.500 0.261 0.000 1.160 478 K HN 0.837 nan 8.250 nan 0.000 0.451 479 G N 3.803 112.821 108.800 0.363 0.000 2.365 479 G HA2 0.110 4.068 3.960 -0.004 0.000 0.249 479 G HA3 0.110 4.068 3.960 -0.004 0.000 0.249 479 G C -0.712 174.248 174.900 0.099 0.000 1.288 479 G CA -0.032 45.060 45.100 -0.012 0.000 0.887 479 G HN 0.760 nan 8.290 nan 0.000 0.524 480 Q N 1.270 121.022 119.800 -0.081 0.000 2.590 480 Q HA 0.518 4.856 4.340 -0.004 0.000 0.295 480 Q C -0.871 174.964 176.000 -0.275 0.000 0.973 480 Q CA -1.279 54.434 55.803 -0.150 0.000 0.768 480 Q CB 1.111 29.762 28.738 -0.144 0.000 1.479 480 Q HN 0.326 nan 8.270 nan 0.000 0.419 481 M N 2.141 121.476 119.600 -0.442 0.000 2.235 481 M HA 0.482 4.960 4.480 -0.004 0.000 0.351 481 M C 0.012 176.189 176.300 -0.206 0.000 1.178 481 M CA -0.200 54.923 55.300 -0.295 0.000 1.143 481 M CB 0.229 32.630 32.600 -0.331 0.000 1.530 481 M HN 0.793 nan 8.290 nan 0.000 0.461 482 I N -1.206 119.280 120.570 -0.139 0.000 3.343 482 I HA 0.775 4.943 4.170 -0.004 0.000 0.315 482 I C -1.329 174.752 176.117 -0.060 0.000 1.153 482 I CA -0.956 60.290 61.300 -0.090 0.000 0.952 482 I CB 2.678 40.636 38.000 -0.071 0.000 1.287 482 I HN 0.478 nan 8.210 nan 0.000 0.472 483 D N 0.872 121.255 120.400 -0.028 0.000 2.619 483 D HA 0.558 5.195 4.640 -0.004 0.000 0.241 483 D C -2.029 174.280 176.300 0.014 0.000 1.087 483 D CA -0.133 53.866 54.000 -0.001 0.000 0.851 483 D CB 1.786 42.607 40.800 0.034 0.000 1.474 483 D HN 0.802 nan 8.370 nan 0.000 0.478 484 D N 1.629 122.041 120.400 0.020 0.000 2.934 484 D HA 0.432 5.070 4.640 -0.004 0.000 0.230 484 D C 0.928 177.251 176.300 0.037 0.000 1.204 484 D CA -0.492 53.525 54.000 0.028 0.000 0.873 484 D CB 1.146 41.957 40.800 0.019 0.000 1.645 484 D HN 0.658 nan 8.370 nan 0.000 0.502 485 G N 1.518 110.346 108.800 0.048 0.000 2.205 485 G HA2 -0.454 3.504 3.960 -0.004 0.000 0.269 485 G HA3 -0.454 3.504 3.960 -0.004 0.000 0.269 485 G C 0.859 175.827 174.900 0.113 0.000 0.977 485 G CA 1.163 46.297 45.100 0.057 0.000 0.652 485 G HN 1.226 nan 8.290 nan 0.000 0.539 486 H N -1.647 117.413 119.070 -0.016 0.000 3.888 486 H HA -0.262 4.292 4.556 -0.004 0.000 0.200 486 H C 1.686 177.001 175.328 -0.022 0.000 0.974 486 H CA 1.678 57.714 56.048 -0.021 0.000 1.220 486 H CB -1.129 28.622 29.762 -0.019 0.000 1.120 486 H HN 1.195 nan 8.280 nan 0.000 0.335 487 G N -0.066 108.710 108.800 -0.039 0.000 3.605 487 G HA2 0.493 4.450 3.960 -0.004 0.000 0.277 487 G HA3 0.493 4.450 3.960 -0.004 0.000 0.277 487 G C 0.327 175.188 174.900 -0.065 0.000 1.093 487 G CA 0.553 45.604 45.100 -0.083 0.000 0.821 487 G HN 0.596 nan 8.290 nan 0.000 0.532 488 G N -0.487 108.277 108.800 -0.061 0.000 2.334 488 G HA2 0.397 4.355 3.960 -0.004 0.000 0.290 488 G HA3 0.397 4.355 3.960 -0.004 0.000 0.290 488 G C -1.302 173.573 174.900 -0.042 0.000 1.310 488 G CA -0.257 44.816 45.100 -0.045 0.000 1.308 488 G HN 0.187 nan 8.290 nan 0.000 0.612 489 S N 0.875 116.540 115.700 -0.057 0.000 2.433 489 S HA 0.735 5.203 4.470 -0.004 0.000 0.310 489 S C 0.244 174.811 174.600 -0.054 0.000 1.097 489 S CA -0.431 57.734 58.200 -0.058 0.000 1.103 489 S CB 1.011 64.164 63.200 -0.079 0.000 0.992 489 S HN 0.631 nan 8.310 nan 0.000 0.469 490 V N 4.317 124.200 119.914 -0.053 0.000 3.019 490 V HA 0.494 4.612 4.120 -0.004 0.000 0.317 490 V C -0.036 176.013 176.094 -0.074 0.000 1.094 490 V CA -1.227 61.044 62.300 -0.048 0.000 1.000 490 V CB 1.918 33.721 31.823 -0.033 0.000 1.060 490 V HN 0.915 nan 8.190 nan 0.000 0.443 491 E N 1.385 121.542 120.200 -0.071 0.000 2.324 491 E HA 0.566 4.913 4.350 -0.004 0.000 0.271 491 E C 0.036 176.519 176.600 -0.195 0.000 1.028 491 E CA 0.015 56.336 56.400 -0.132 0.000 0.890 491 E CB 1.006 30.649 29.700 -0.094 0.000 1.004 491 E HN 0.909 nan 8.360 nan 0.000 0.431 492 G N 2.370 110.957 108.800 -0.354 0.000 2.682 492 G HA2 0.548 4.506 3.960 -0.004 0.000 0.303 492 G HA3 0.548 4.506 3.960 -0.004 0.000 0.303 492 G C -1.705 172.822 174.900 -0.623 0.000 1.341 492 G CA -1.030 43.870 45.100 -0.335 0.000 0.784 492 G HN 0.417 nan 8.290 nan 0.000 0.497 493 F N -0.144 119.814 119.950 0.013 0.000 2.578 493 F HA 0.562 5.087 4.527 -0.003 0.000 0.311 493 F C 0.169 175.974 175.800 0.008 0.000 1.094 493 F CA -0.674 57.371 58.000 0.075 0.000 0.923 493 F CB 2.718 41.841 39.000 0.205 0.000 1.230 493 F HN 0.474 nan 8.300 nan 0.000 0.450 494 Q N 1.694 121.606 119.800 0.188 0.000 2.259 494 Q HA 0.664 5.002 4.340 -0.004 0.000 0.246 494 Q C -1.506 174.532 176.000 0.063 0.000 0.920 494 Q CA -0.595 55.244 55.803 0.061 0.000 0.895 494 Q CB 1.743 30.523 28.738 0.069 0.000 1.220 494 Q HN 0.589 nan 8.270 nan 0.000 0.439 495 V N 4.476 124.315 119.914 -0.124 0.000 2.417 495 V HA 0.324 4.442 4.120 -0.004 0.000 0.291 495 V C -0.623 175.373 176.094 -0.163 0.000 1.024 495 V CA -0.610 61.557 62.300 -0.221 0.000 0.861 495 V CB 1.391 33.013 31.823 -0.334 0.000 0.985 495 V HN 0.786 nan 8.190 nan 0.000 0.436 496 H N 5.568 124.558 119.070 -0.133 0.000 2.481 496 H HA 0.586 5.140 4.556 -0.004 0.000 0.333 496 H C -0.983 174.343 175.328 -0.004 0.000 1.066 496 H CA -0.526 55.505 56.048 -0.028 0.000 1.209 496 H CB 2.273 32.034 29.762 -0.002 0.000 1.445 496 H HN 0.402 nan 8.280 nan 0.000 0.488 497 L N 1.016 122.330 121.223 0.151 0.000 2.346 497 L HA 0.382 4.720 4.340 -0.004 0.000 0.276 497 L C 0.933 177.924 176.870 0.200 0.000 1.006 497 L CA -0.320 54.637 54.840 0.195 0.000 0.817 497 L CB 1.997 44.174 42.059 0.198 0.000 1.272 497 L HN 1.029 nan 8.230 nan 0.000 0.421 498 G N 1.829 110.788 108.800 0.264 0.000 2.132 498 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.234 498 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.234 498 G C 0.421 175.477 174.900 0.261 0.000 0.989 498 G CA -0.170 45.081 45.100 0.252 0.000 0.676 498 G HN 0.998 nan 8.290 nan 0.000 0.522 499 G N 0.263 109.196 108.800 0.223 0.000 2.527 499 G HA2 0.644 4.602 3.960 -0.004 0.000 0.248 499 G HA3 0.644 4.602 3.960 -0.004 0.000 0.248 499 G C -0.067 174.964 174.900 0.218 0.000 1.231 499 G CA 0.479 45.682 45.100 0.172 0.000 0.838 499 G HN 1.564 nan 8.290 nan 0.000 0.570 500 H N -0.364 118.709 119.070 0.005 0.000 3.060 500 H HA 0.335 4.890 4.556 -0.003 0.000 0.330 500 H C -1.376 173.910 175.328 -0.069 0.000 1.305 500 H CA -0.900 55.142 56.048 -0.010 0.000 1.209 500 H CB 0.434 30.195 29.762 -0.000 0.000 1.913 500 H HN 0.378 nan 8.280 nan 0.000 0.534 501 L N 0.429 121.655 121.223 0.005 0.000 2.805 501 L HA 0.581 4.919 4.340 -0.004 0.000 0.242 501 L C 1.490 178.381 176.870 0.034 0.000 1.180 501 L CA -0.017 54.772 54.840 -0.086 0.000 1.001 501 L CB 0.444 42.444 42.059 -0.098 0.000 1.864 501 L HN 1.088 nan 8.230 nan 0.000 0.551 502 G N -0.016 108.772 108.800 -0.021 0.000 2.514 502 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.265 502 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.265 502 G C -0.733 174.205 174.900 0.063 0.000 1.150 502 G CA 0.006 45.124 45.100 0.031 0.000 0.959 502 G HN 0.445 nan 8.290 nan 0.000 0.556 503 L N 2.486 123.754 121.223 0.074 0.000 2.462 503 L HA 0.452 4.790 4.340 -0.004 0.000 0.272 503 L C 0.488 177.444 176.870 0.144 0.000 1.166 503 L CA 1.108 55.992 54.840 0.074 0.000 0.880 503 L CB -0.235 41.835 42.059 0.018 0.000 1.142 503 L HN 0.701 nan 8.230 nan 0.000 0.473 504 D N 3.232 123.690 120.400 0.095 0.000 2.697 504 D HA -0.221 4.416 4.640 -0.004 0.000 0.235 504 D C 0.280 176.574 176.300 -0.010 0.000 1.167 504 D CA 1.057 55.104 54.000 0.079 0.000 0.656 504 D CB -1.001 39.871 40.800 0.121 0.000 1.025 504 D HN 0.865 nan 8.370 nan 0.000 0.419 505 A N 0.335 123.070 122.820 -0.142 0.000 2.567 505 A HA 0.483 4.801 4.320 -0.004 0.000 0.240 505 A C 1.177 178.425 177.584 -0.560 0.000 1.053 505 A CA 1.072 52.854 52.037 -0.425 0.000 0.755 505 A CB 0.560 19.386 19.000 -0.291 0.000 0.978 505 A HN 0.594 nan 8.150 nan 0.000 0.507 506 G N 0.869 109.177 108.800 -0.820 0.000 2.677 506 G HA2 0.590 4.548 3.960 -0.004 0.000 0.291 506 G HA3 0.590 4.548 3.960 -0.004 0.000 0.291 506 G C -0.894 173.622 174.900 -0.640 0.000 1.435 506 G CA -0.804 43.886 45.100 -0.683 0.000 0.826 506 G HN 0.427 nan 8.290 nan 0.000 0.491 507 F N 0.282 120.176 119.950 -0.094 0.000 2.368 507 F HA 0.620 5.145 4.527 -0.003 0.000 0.315 507 F C 1.354 177.167 175.800 0.022 0.000 1.145 507 F CA 0.014 57.993 58.000 -0.036 0.000 1.095 507 F CB 0.826 39.818 39.000 -0.014 0.000 1.286 507 F HN 0.568 nan 8.300 nan 0.000 0.530 508 G N -0.084 108.890 108.800 0.290 0.000 2.507 508 G HA2 0.498 4.456 3.960 -0.004 0.000 0.271 508 G HA3 0.498 4.456 3.960 -0.004 0.000 0.271 508 G C -0.766 174.259 174.900 0.208 0.000 1.189 508 G CA -1.017 44.219 45.100 0.227 0.000 0.859 508 G HN 0.690 nan 8.290 nan 0.000 0.542 509 R N 0.410 120.985 120.500 0.124 0.000 2.457 509 R HA 0.501 4.839 4.340 -0.004 0.000 0.284 509 R C -0.542 175.746 176.300 -0.019 0.000 1.024 509 R CA -0.757 55.377 56.100 0.056 0.000 1.025 509 R CB 1.341 31.655 30.300 0.024 0.000 1.063 509 R HN 0.348 nan 8.270 nan 0.000 0.493 510 K N 2.433 122.778 120.400 -0.092 0.000 2.110 510 K HA 0.386 4.704 4.320 -0.004 0.000 0.263 510 K C -0.411 176.132 176.600 -0.095 0.000 0.975 510 K CA -0.671 55.481 56.287 -0.226 0.000 0.895 510 K CB 1.248 33.586 32.500 -0.269 0.000 1.060 510 K HN 0.320 nan 8.250 nan 0.000 0.448 511 L N 2.241 123.433 121.223 -0.052 0.000 2.334 511 L HA 0.395 4.733 4.340 -0.004 0.000 0.272 511 L C 1.647 178.528 176.870 0.018 0.000 1.020 511 L CA -0.681 54.165 54.840 0.010 0.000 0.812 511 L CB 1.631 43.742 42.059 0.087 0.000 1.264 511 L HN 0.745 nan 8.230 nan 0.000 0.439 512 R N 1.190 121.686 120.500 -0.007 0.000 2.107 512 R HA -0.098 4.240 4.340 -0.004 0.000 0.223 512 R C 0.814 177.124 176.300 0.016 0.000 1.138 512 R CA 1.302 57.397 56.100 -0.008 0.000 0.900 512 R CB 0.021 30.306 30.300 -0.025 0.000 0.814 512 R HN 0.663 nan 8.270 nan 0.000 0.437 513 Q N 0.816 120.628 119.800 0.020 0.000 2.560 513 Q HA 0.107 4.445 4.340 -0.004 0.000 0.238 513 Q C -1.768 174.298 176.000 0.110 0.000 1.079 513 Q CA -0.372 55.457 55.803 0.043 0.000 0.866 513 Q CB 0.619 29.368 28.738 0.019 0.000 1.153 513 Q HN 0.401 nan 8.270 nan 0.000 0.530 514 H N 2.629 121.695 119.070 -0.006 0.000 2.934 514 H HA 0.481 5.035 4.556 -0.004 0.000 0.340 514 H C -1.622 173.706 175.328 0.000 0.000 1.008 514 H CA -0.411 55.639 56.048 0.004 0.000 1.317 514 H CB 1.123 30.883 29.762 -0.004 0.000 1.670 514 H HN 0.474 nan 8.280 nan 0.000 0.516 515 K N 3.398 123.810 120.400 0.021 0.000 2.468 515 K HA 0.566 4.884 4.320 -0.004 0.000 0.252 515 K C -1.301 175.235 176.600 -0.107 0.000 0.932 515 K CA -0.904 55.340 56.287 -0.072 0.000 0.794 515 K CB 3.089 35.583 32.500 -0.010 0.000 1.241 515 K HN 0.167 nan 8.250 nan 0.000 0.428 516 V N 2.606 122.455 119.914 -0.108 0.000 2.378 516 V HA 0.259 4.377 4.120 -0.004 0.000 0.288 516 V C -0.000 176.154 176.094 0.100 0.000 1.016 516 V CA -0.847 61.437 62.300 -0.027 0.000 0.840 516 V CB 1.490 33.246 31.823 -0.112 0.000 0.994 516 V HN 0.944 nan 8.190 nan 0.000 0.431 517 T N 1.342 115.944 114.554 0.080 0.000 2.898 517 T HA 0.093 4.441 4.350 -0.004 0.000 0.301 517 T C 1.437 176.224 174.700 0.144 0.000 1.049 517 T CA 0.319 62.468 62.100 0.081 0.000 1.095 517 T CB 1.277 70.172 68.868 0.045 0.000 0.976 517 T HN 0.597 nan 8.240 nan 0.000 0.539 518 S N 0.614 116.415 115.700 0.168 0.000 2.440 518 S HA -0.157 4.311 4.470 -0.004 0.000 0.238 518 S C 1.407 176.053 174.600 0.075 0.000 1.010 518 S CA 1.405 59.746 58.200 0.235 0.000 0.972 518 S CB -0.710 62.619 63.200 0.215 0.000 0.774 518 S HN 0.727 nan 8.310 nan 0.000 0.501 519 D N 0.799 121.225 120.400 0.043 0.000 2.194 519 D HA -0.033 4.605 4.640 -0.004 0.000 0.204 519 D C 1.526 177.834 176.300 0.014 0.000 0.964 519 D CA 0.830 54.837 54.000 0.012 0.000 0.846 519 D CB -0.218 40.587 40.800 0.009 0.000 0.962 519 D HN 0.636 nan 8.370 nan 0.000 0.490 520 E N 0.379 120.603 120.200 0.040 0.000 2.502 520 E HA 0.061 4.408 4.350 -0.004 0.000 0.194 520 E C 2.105 178.745 176.600 0.068 0.000 1.062 520 E CA -0.224 56.215 56.400 0.065 0.000 0.867 520 E CB 0.196 29.958 29.700 0.103 0.000 0.888 520 E HN 0.240 nan 8.360 nan 0.000 0.510 521 L N 0.330 121.540 121.223 -0.022 0.000 2.012 521 L HA -0.182 4.156 4.340 -0.004 0.000 0.210 521 L C 2.514 179.370 176.870 -0.023 0.000 1.073 521 L CA 1.514 56.281 54.840 -0.120 0.000 0.748 521 L CB -0.694 41.123 42.059 -0.403 0.000 0.891 521 L HN 0.281 nan 8.230 nan 0.000 0.431 522 G N -0.672 108.095 108.800 -0.056 0.000 2.402 522 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.216 522 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.216 522 G C 1.176 176.067 174.900 -0.015 0.000 1.162 522 G CA 0.746 45.806 45.100 -0.067 0.000 0.777 522 G HN 0.310 nan 8.290 nan 0.000 0.539 523 D N -0.256 120.163 120.400 0.033 0.000 2.092 523 D HA -0.160 4.478 4.640 -0.004 0.000 0.193 523 D C 1.970 178.333 176.300 0.105 0.000 0.994 523 D CA 1.203 55.239 54.000 0.060 0.000 0.828 523 D CB -0.351 40.497 40.800 0.081 0.000 0.963 523 D HN 0.411 nan 8.370 nan 0.000 0.450 524 Y N 1.690 122.031 120.300 0.069 0.000 2.114 524 Y HA -0.213 4.336 4.550 -0.003 0.000 0.284 524 Y C 2.269 178.258 175.900 0.149 0.000 1.143 524 Y CA 1.287 59.469 58.100 0.137 0.000 1.135 524 Y CB -0.236 38.339 38.460 0.192 0.000 0.980 524 Y HN -0.153 nan 8.280 nan 0.000 0.499 525 I N 1.007 121.701 120.570 0.207 0.000 2.163 525 I HA -0.337 3.831 4.170 -0.004 0.000 0.243 525 I C 2.418 178.504 176.117 -0.052 0.000 1.085 525 I CA 1.998 63.349 61.300 0.085 0.000 1.347 525 I CB -1.496 36.524 38.000 0.034 0.000 1.044 525 I HN 0.455 nan 8.210 nan 0.000 0.408 526 D N 0.999 121.357 120.400 -0.070 0.000 2.092 526 D HA -0.266 4.372 4.640 -0.004 0.000 0.193 526 D C 2.314 178.599 176.300 -0.025 0.000 0.994 526 D CA 1.639 55.602 54.000 -0.061 0.000 0.828 526 D CB 0.058 40.823 40.800 -0.058 0.000 0.963 526 D HN 0.251 nan 8.370 nan 0.000 0.450 527 R N 0.228 120.704 120.500 -0.040 0.000 2.097 527 R HA -0.157 4.181 4.340 -0.004 0.000 0.236 527 R C 2.543 178.837 176.300 -0.010 0.000 1.135 527 R CA 1.864 57.949 56.100 -0.025 0.000 0.934 527 R CB -0.710 29.569 30.300 -0.036 0.000 0.846 527 R HN 0.123 nan 8.270 nan 0.000 0.431 528 V N 0.029 119.882 119.914 -0.102 0.000 2.427 528 V HA -0.157 3.961 4.120 -0.004 0.000 0.248 528 V C 2.090 178.320 176.094 0.227 0.000 1.051 528 V CA 1.744 64.070 62.300 0.043 0.000 1.048 528 V CB 0.148 31.914 31.823 -0.096 0.000 0.666 528 V HN 0.308 nan 8.190 nan 0.000 0.456 529 V N 0.042 120.067 119.914 0.185 0.000 2.548 529 V HA -0.157 3.961 4.120 -0.004 0.000 0.249 529 V C 2.566 178.775 176.094 0.192 0.000 1.055 529 V CA 2.003 64.468 62.300 0.276 0.000 1.065 529 V CB -0.757 31.217 31.823 0.251 0.000 0.681 529 V HN 0.490 nan 8.190 nan 0.000 0.462 530 R N 0.276 120.836 120.500 0.101 0.000 2.075 530 R HA -0.113 4.225 4.340 -0.004 0.000 0.232 530 R C 2.228 178.537 176.300 0.015 0.000 1.126 530 R CA 1.558 57.684 56.100 0.042 0.000 0.963 530 R CB -0.451 29.867 30.300 0.029 0.000 0.858 530 R HN 0.477 nan 8.270 nan 0.000 0.435 531 N N 0.742 119.492 118.700 0.083 0.000 2.149 531 N HA -0.194 4.543 4.740 -0.004 0.000 0.188 531 N C 1.407 176.853 175.510 -0.107 0.000 1.019 531 N CA 1.085 54.236 53.050 0.167 0.000 0.857 531 N CB -0.395 38.298 38.487 0.344 0.000 0.997 531 N HN 0.124 nan 8.380 nan 0.000 0.426 532 F N 1.420 121.046 119.950 -0.540 0.000 2.134 532 F HA -0.112 4.413 4.527 -0.002 0.000 0.299 532 F C 1.783 177.150 175.800 -0.721 0.000 1.097 532 F CA 0.975 58.239 58.000 -1.226 0.000 1.264 532 F CB -0.321 38.308 39.000 -0.618 0.000 1.001 532 F HN -0.155 nan 8.300 nan 0.000 0.479 533 V N 0.016 119.618 119.914 -0.521 0.000 3.306 533 V HA -0.091 4.027 4.120 -0.004 0.000 0.264 533 V C 2.042 177.903 176.094 -0.389 0.000 1.149 533 V CA 1.411 63.403 62.300 -0.513 0.000 1.143 533 V CB -0.778 30.900 31.823 -0.242 0.000 0.767 533 V HN 0.189 nan 8.190 nan 0.000 0.476 534 K N 1.317 121.520 120.400 -0.328 0.000 2.019 534 K HA -0.022 4.295 4.320 -0.004 0.000 0.209 534 K C 1.606 178.007 176.600 -0.332 0.000 1.032 534 K CA 1.320 57.419 56.287 -0.313 0.000 0.947 534 K CB -0.525 31.777 32.500 -0.329 0.000 0.757 534 K HN 0.474 nan 8.250 nan 0.000 0.444 535 H N 0.382 119.375 119.070 -0.127 0.000 2.832 535 H HA 0.134 4.688 4.556 -0.003 0.000 0.297 535 H C -0.244 175.051 175.328 -0.055 0.000 1.103 535 H CA 0.088 56.155 56.048 0.031 0.000 1.201 535 H CB -0.299 29.658 29.762 0.325 0.000 1.291 535 H HN 0.002 nan 8.280 nan 0.000 0.614 536 R N 0.902 121.258 120.500 -0.241 0.000 2.428 536 R HA 0.239 4.576 4.340 -0.004 0.000 0.294 536 R C 0.141 176.345 176.300 -0.160 0.000 1.000 536 R CA -0.419 55.446 56.100 -0.392 0.000 0.960 536 R CB 0.998 30.859 30.300 -0.732 0.000 1.076 536 R HN 0.306 nan 8.270 nan 0.000 0.475 537 S N 2.178 117.841 115.700 -0.061 0.000 2.603 537 S HA 0.081 4.549 4.470 -0.004 0.000 0.268 537 S C -0.606 173.957 174.600 -0.062 0.000 1.317 537 S CA -0.577 57.612 58.200 -0.017 0.000 1.012 537 S CB 0.938 64.169 63.200 0.051 0.000 0.926 537 S HN 0.535 nan 8.310 nan 0.000 0.539 538 E N 1.270 121.448 120.200 -0.037 0.000 2.194 538 E HA 0.508 4.856 4.350 -0.004 0.000 0.284 538 E C 0.980 177.573 176.600 -0.011 0.000 1.035 538 E CA 0.643 57.019 56.400 -0.040 0.000 0.836 538 E CB 0.561 30.242 29.700 -0.032 0.000 1.070 538 E HN 1.003 nan 8.360 nan 0.000 0.401 539 G N 2.740 111.535 108.800 -0.008 0.000 2.159 539 G HA2 -0.352 3.606 3.960 -0.004 0.000 0.256 539 G HA3 -0.352 3.606 3.960 -0.004 0.000 0.256 539 G C 0.164 175.102 174.900 0.064 0.000 0.977 539 G CA 0.151 45.266 45.100 0.026 0.000 0.652 539 G HN 0.518 nan 8.290 nan 0.000 0.531 540 E N 0.401 120.644 120.200 0.073 0.000 2.313 540 E HA 0.480 4.828 4.350 -0.004 0.000 0.276 540 E C 0.835 177.595 176.600 0.267 0.000 1.031 540 E CA -0.774 55.714 56.400 0.145 0.000 0.857 540 E CB 0.493 30.286 29.700 0.154 0.000 1.040 540 E HN 0.404 nan 8.360 nan 0.000 0.408 541 R N 2.632 123.271 120.500 0.233 0.000 2.615 541 R HA 0.072 4.410 4.340 -0.004 0.000 0.270 541 R C 0.925 177.395 176.300 0.283 0.000 1.081 541 R CA -0.222 56.023 56.100 0.243 0.000 1.154 541 R CB 0.416 30.785 30.300 0.115 0.000 1.063 541 R HN 0.630 nan 8.270 nan 0.000 0.519 542 F N 1.782 121.683 119.950 -0.081 0.000 2.126 542 F HA -0.212 4.312 4.527 -0.004 0.000 0.299 542 F C 2.051 177.834 175.800 -0.028 0.000 1.096 542 F CA 2.122 59.874 58.000 -0.414 0.000 1.255 542 F CB -0.114 38.526 39.000 -0.601 0.000 0.997 542 F HN 0.662 nan 8.300 nan 0.000 0.479 543 A N -0.529 122.380 122.820 0.148 0.000 2.019 543 A HA -0.210 4.108 4.320 -0.004 0.000 0.219 543 A C 2.070 179.677 177.584 0.038 0.000 1.164 543 A CA 1.758 53.854 52.037 0.098 0.000 0.644 543 A CB -0.642 18.387 19.000 0.049 0.000 0.805 543 A HN 0.613 nan 8.150 nan 0.000 0.449 544 Q N -2.374 117.461 119.800 0.058 0.000 2.123 544 Q HA -0.143 4.195 4.340 -0.004 0.000 0.196 544 Q C 1.862 177.922 176.000 0.099 0.000 0.958 544 Q CA 1.242 57.088 55.803 0.072 0.000 0.841 544 Q CB -0.243 28.550 28.738 0.092 0.000 0.915 544 Q HN 0.890 nan 8.270 nan 0.000 0.455 545 W N 0.721 122.010 121.300 -0.018 0.000 2.392 545 W HA -0.147 4.511 4.660 -0.003 0.000 0.279 545 W C 1.424 177.876 176.519 -0.111 0.000 1.225 545 W CA 0.963 58.304 57.345 -0.006 0.000 1.233 545 W CB 0.075 29.649 29.460 0.191 0.000 1.122 545 W HN -0.162 nan 8.180 nan 0.000 0.561 546 V N 3.030 122.757 119.914 -0.311 0.000 2.913 546 V HA -0.285 3.833 4.120 -0.004 0.000 0.260 546 V C 2.329 178.239 176.094 -0.306 0.000 1.098 546 V CA 1.637 63.680 62.300 -0.427 0.000 1.121 546 V CB -1.071 30.617 31.823 -0.226 0.000 0.714 546 V HN 0.449 nan 8.190 nan 0.000 0.487 547 I N 0.808 121.256 120.570 -0.203 0.000 2.226 547 I HA -0.254 3.913 4.170 -0.004 0.000 0.245 547 I C 2.419 178.417 176.117 -0.198 0.000 1.100 547 I CA 2.411 63.624 61.300 -0.144 0.000 1.374 547 I CB -0.418 37.540 38.000 -0.069 0.000 1.057 547 I HN 0.399 nan 8.210 nan 0.000 0.413 548 R N 1.943 122.272 120.500 -0.284 0.000 2.310 548 R HA 0.491 4.829 4.340 -0.004 0.000 0.199 548 R C 1.240 177.340 176.300 -0.334 0.000 0.891 548 R CA 0.308 56.261 56.100 -0.244 0.000 1.060 548 R CB -0.507 29.706 30.300 -0.146 0.000 1.188 548 R HN 0.224 nan 8.270 nan 0.000 0.607 549 A N 2.243 124.700 122.820 -0.605 0.000 2.507 549 A HA 0.039 4.357 4.320 -0.004 0.000 0.235 549 A C -0.390 176.959 177.584 -0.392 0.000 1.070 549 A CA -0.131 51.562 52.037 -0.574 0.000 0.768 549 A CB 0.037 18.404 19.000 -1.055 0.000 1.011 549 A HN 0.445 nan 8.150 nan 0.000 0.502 550 E N 0.275 120.307 120.200 -0.280 0.000 2.418 550 E HA 0.025 4.373 4.350 -0.004 0.000 0.261 550 E C 0.581 177.066 176.600 -0.191 0.000 1.070 550 E CA 0.181 56.464 56.400 -0.196 0.000 0.931 550 E CB 0.444 30.056 29.700 -0.147 0.000 0.954 550 E HN 0.781 nan 8.360 nan 0.000 0.439 551 E N 1.294 121.406 120.200 -0.146 0.000 2.265 551 E HA -0.211 4.137 4.350 -0.004 0.000 0.196 551 E C 0.601 177.135 176.600 -0.110 0.000 0.996 551 E CA 1.361 57.683 56.400 -0.130 0.000 0.832 551 E CB 0.154 29.791 29.700 -0.106 0.000 0.756 551 E HN 0.462 nan 8.360 nan 0.000 0.491 552 D N 0.211 120.556 120.400 -0.090 0.000 2.144 552 D HA -0.134 4.504 4.640 -0.004 0.000 0.200 552 D C 1.061 177.343 176.300 -0.031 0.000 0.978 552 D CA 1.090 55.056 54.000 -0.056 0.000 0.833 552 D CB -0.085 40.693 40.800 -0.038 0.000 0.961 552 D HN 0.130 nan 8.370 nan 0.000 0.470 553 D N -0.301 120.068 120.400 -0.052 0.000 2.378 553 D HA -0.014 4.624 4.640 -0.004 0.000 0.222 553 D C 1.068 177.423 176.300 0.092 0.000 0.980 553 D CA 0.448 54.464 54.000 0.027 0.000 0.907 553 D CB 0.110 40.898 40.800 -0.020 0.000 0.899 553 D HN 0.288 nan 8.370 nan 0.000 0.527 554 L N -0.565 120.666 121.223 0.013 0.000 2.959 554 L HA 0.271 4.609 4.340 -0.004 0.000 0.259 554 L C 0.932 177.895 176.870 0.156 0.000 1.185 554 L CA -0.180 54.704 54.840 0.074 0.000 0.998 554 L CB 0.532 42.580 42.059 -0.020 0.000 1.337 554 L HN -0.237 nan 8.230 nan 0.000 0.555 555 R N 0.000 120.553 120.500 0.088 0.000 2.786 555 R HA 0.000 4.338 4.340 -0.004 0.000 0.208 555 R CA 0.000 56.149 56.100 0.081 0.000 0.921 555 R CB 0.000 30.216 30.300 -0.141 0.000 0.687 555 R HN 0.000 nan 8.270 nan 0.000 0.535