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 2o5d_1_A DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSL 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.197 175.328 -0.218 0.000 0.993 1 H CA 0.000 55.904 56.048 -0.240 0.000 1.023 1 H CB 0.000 29.678 29.762 -0.139 0.000 1.292 2 H N 1.156 120.222 119.070 -0.007 0.000 2.683 2 H HA 0.079 4.634 4.556 -0.001 0.000 0.339 2 H C 1.431 176.676 175.328 -0.138 0.000 1.081 2 H CA 0.687 56.709 56.048 -0.042 0.000 1.432 2 H CB 1.453 31.196 29.762 -0.032 0.000 1.462 2 H HN 0.382 nan 8.280 nan 0.000 0.557 3 S N 2.596 118.230 115.700 -0.111 0.000 2.383 3 S HA -0.103 4.366 4.470 -0.001 0.000 0.229 3 S C 0.176 174.456 174.600 -0.534 0.000 1.030 3 S CA 1.015 59.001 58.200 -0.356 0.000 1.002 3 S CB -0.089 62.812 63.200 -0.499 0.000 0.829 3 S HN 0.576 nan 8.310 nan 0.000 0.467 4 Y N 0.446 120.632 120.300 -0.190 0.000 2.597 4 Y HA 0.554 5.104 4.550 -0.001 0.000 0.340 4 Y C -0.239 175.355 175.900 -0.510 0.000 1.097 4 Y CA -0.896 56.944 58.100 -0.433 0.000 1.037 4 Y CB 1.935 39.996 38.460 -0.665 0.000 1.305 4 Y HN 0.127 nan 8.280 nan 0.000 0.463 5 T N -2.412 111.822 114.554 -0.533 0.000 2.893 5 T HA 0.708 5.058 4.350 -0.001 0.000 0.293 5 T C -1.457 172.869 174.700 -0.622 0.000 1.027 5 T CA -0.877 60.985 62.100 -0.397 0.000 0.988 5 T CB 1.292 70.086 68.868 -0.123 0.000 1.043 5 T HN 0.532 nan 8.240 nan 0.000 0.461 6 W N 0.700 122.040 121.300 0.066 0.000 2.844 6 W HA 0.515 5.174 4.660 -0.001 0.000 0.340 6 W C 1.393 177.932 176.519 0.034 0.000 1.093 6 W CA -0.726 56.647 57.345 0.047 0.000 1.212 6 W CB 1.971 31.441 29.460 0.017 0.000 1.422 6 W HN 0.899 nan 8.180 nan 0.000 0.515 7 T N -2.472 112.246 114.554 0.274 0.000 3.044 7 T HA 0.334 4.684 4.350 -0.001 0.000 0.255 7 T C 1.399 176.180 174.700 0.135 0.000 1.073 7 T CA 1.038 63.233 62.100 0.158 0.000 1.125 7 T CB -0.002 68.938 68.868 0.121 0.000 0.908 7 T HN 1.255 nan 8.240 nan 0.000 0.480 8 G N 1.156 110.049 108.800 0.154 0.000 2.284 8 G HA2 0.087 4.046 3.960 -0.001 0.000 0.201 8 G HA3 0.087 4.046 3.960 -0.001 0.000 0.201 8 G C 0.350 175.280 174.900 0.050 0.000 0.998 8 G CA -0.150 44.997 45.100 0.079 0.000 0.651 8 G HN 1.059 nan 8.290 nan 0.000 0.489 9 A N 1.068 123.930 122.820 0.071 0.000 2.462 9 A HA 0.644 4.964 4.320 -0.001 0.000 0.243 9 A C 0.765 178.366 177.584 0.028 0.000 1.076 9 A CA 0.201 52.267 52.037 0.048 0.000 0.773 9 A CB 0.154 19.191 19.000 0.061 0.000 1.010 9 A HN 0.863 nan 8.150 nan 0.000 0.493 10 L N 1.974 123.198 121.223 0.002 0.000 2.418 10 L HA 0.283 4.623 4.340 -0.001 0.000 0.265 10 L C 0.097 176.959 176.870 -0.014 0.000 1.143 10 L CA -0.293 54.532 54.840 -0.026 0.000 0.809 10 L CB 0.653 42.696 42.059 -0.026 0.000 1.124 10 L HN 0.552 nan 8.230 nan 0.000 0.456 11 I N 1.791 122.338 120.570 -0.039 0.000 2.347 11 I HA 0.070 4.240 4.170 -0.001 0.000 0.294 11 I C 0.626 176.740 176.117 -0.004 0.000 1.090 11 I CA -0.056 61.235 61.300 -0.016 0.000 1.314 11 I CB 0.639 38.614 38.000 -0.041 0.000 1.423 11 I HN 0.676 nan 8.210 nan 0.000 0.503 12 T N 5.166 119.726 114.554 0.010 0.000 2.934 12 T HA 0.572 4.922 4.350 -0.001 0.000 0.283 12 T C -2.403 172.313 174.700 0.027 0.000 1.005 12 T CA -1.873 60.236 62.100 0.015 0.000 1.041 12 T CB 1.777 70.654 68.868 0.014 0.000 1.042 12 T HN 0.280 nan 8.240 nan 0.000 0.505 13 P HA 0.322 nan 4.420 nan 0.000 0.281 13 P C 0.238 177.561 177.300 0.038 0.000 1.264 13 P CA -0.784 62.339 63.100 0.039 0.000 0.824 13 P CB 0.873 32.596 31.700 0.038 0.000 1.092 14 C N -0.909 118.417 119.300 0.044 0.000 2.863 14 C HA 0.878 5.338 4.460 -0.001 0.000 0.284 14 C C 0.416 175.428 174.990 0.036 0.000 1.426 14 C CA -0.269 58.772 59.018 0.039 0.000 1.782 14 C CB -1.152 26.618 27.740 0.050 0.000 2.554 14 C HN 0.745 nan 8.230 nan 0.000 0.566 15 A N 0.228 123.071 122.820 0.038 0.000 2.428 15 A HA 0.791 5.110 4.320 -0.001 0.000 0.304 15 A C -0.741 176.871 177.584 0.045 0.000 1.085 15 A CA -0.030 52.031 52.037 0.039 0.000 0.605 15 A CB -0.473 18.553 19.000 0.042 0.000 1.393 15 A HN 1.599 nan 8.150 nan 0.000 0.541 16 A N -0.100 122.751 122.820 0.051 0.000 2.388 16 A HA 0.586 4.906 4.320 -0.001 0.000 0.257 16 A C -0.099 177.531 177.584 0.076 0.000 1.095 16 A CA 0.216 52.289 52.037 0.059 0.000 0.791 16 A CB -0.102 18.933 19.000 0.059 0.000 1.029 16 A HN 0.567 nan 8.150 nan 0.000 0.489 17 E N 1.340 121.589 120.200 0.082 0.000 2.176 17 E HA 0.312 4.662 4.350 -0.001 0.000 0.267 17 E C -1.004 175.678 176.600 0.136 0.000 0.893 17 E CA -0.336 56.126 56.400 0.102 0.000 0.761 17 E CB 1.688 31.437 29.700 0.082 0.000 1.133 17 E HN 0.741 nan 8.360 nan 0.000 0.409 18 E N 1.193 121.515 120.200 0.204 0.000 2.191 18 E HA 0.241 4.591 4.350 -0.001 0.000 0.278 18 E C -0.131 176.685 176.600 0.359 0.000 0.972 18 E CA -0.188 56.375 56.400 0.272 0.000 0.804 18 E CB 1.668 31.572 29.700 0.338 0.000 1.110 18 E HN 0.393 nan 8.360 nan 0.000 0.394 19 S N 2.278 118.161 115.700 0.305 0.000 2.566 19 S HA 0.023 4.493 4.470 -0.001 0.000 0.234 19 S C 0.638 175.484 174.600 0.410 0.000 1.075 19 S CA -0.005 58.390 58.200 0.326 0.000 0.926 19 S CB 0.312 63.644 63.200 0.220 0.000 0.811 19 S HN 0.336 nan 8.310 nan 0.000 0.518 20 K N 1.986 122.551 120.400 0.276 0.000 2.270 20 K HA 0.231 4.551 4.320 -0.001 0.000 0.276 20 K C -0.519 176.131 176.600 0.082 0.000 1.023 20 K CA -0.530 55.878 56.287 0.201 0.000 0.955 20 K CB 0.443 33.004 32.500 0.102 0.000 0.975 20 K HN 0.073 nan 8.250 nan 0.000 0.471 21 L N 6.606 127.864 121.223 0.058 0.000 2.534 21 L HA 0.157 4.497 4.340 -0.001 0.000 0.271 21 L C -2.382 174.247 176.870 -0.402 0.000 1.178 21 L CA -0.879 53.817 54.840 -0.240 0.000 0.907 21 L CB 0.193 42.245 42.059 -0.011 0.000 1.164 21 L HN 0.523 nan 8.230 nan 0.000 0.482 22 P HA 0.233 nan 4.420 nan 0.000 0.271 22 P C -0.973 176.106 177.300 -0.368 0.000 1.216 22 P CA -0.051 62.766 63.100 -0.472 0.000 0.776 22 P CB 0.641 31.997 31.700 -0.574 0.000 0.881 23 I N 3.253 123.666 120.570 -0.262 0.000 2.474 23 I HA 0.417 4.587 4.170 -0.001 0.000 0.294 23 I C 0.384 176.406 176.117 -0.159 0.000 1.005 23 I CA -0.607 60.544 61.300 -0.248 0.000 1.113 23 I CB 1.575 39.432 38.000 -0.239 0.000 1.289 23 I HN 0.493 nan 8.210 nan 0.000 0.436 24 N N 3.761 122.380 118.700 -0.134 0.000 3.278 24 N HA 0.416 5.156 4.740 -0.001 0.000 0.307 24 N C 0.268 175.744 175.510 -0.057 0.000 1.551 24 N CA -0.457 52.544 53.050 -0.082 0.000 0.794 24 N CB 0.746 39.189 38.487 -0.074 0.000 1.770 24 N HN 0.396 nan 8.380 nan 0.000 0.612 25 A N -0.563 122.234 122.820 -0.038 0.000 2.178 25 A HA 0.094 4.413 4.320 -0.001 0.000 0.218 25 A C 1.614 179.185 177.584 -0.021 0.000 1.157 25 A CA 0.934 52.957 52.037 -0.025 0.000 0.689 25 A CB -0.919 18.068 19.000 -0.021 0.000 0.787 25 A HN 0.545 nan 8.150 nan 0.000 0.465 26 L N -1.667 119.541 121.223 -0.025 0.000 2.515 26 L HA 0.025 4.365 4.340 -0.001 0.000 0.223 26 L C 2.473 179.368 176.870 0.041 0.000 1.079 26 L CA 0.500 55.341 54.840 0.001 0.000 0.857 26 L CB -0.242 41.800 42.059 -0.029 0.000 1.050 26 L HN 0.216 nan 8.230 nan 0.000 0.476 27 S N 0.906 116.598 115.700 -0.012 0.000 2.369 27 S HA -0.216 4.254 4.470 -0.001 0.000 0.225 27 S C 1.723 176.347 174.600 0.041 0.000 1.043 27 S CA 1.886 60.064 58.200 -0.037 0.000 1.074 27 S CB -0.402 62.683 63.200 -0.192 0.000 0.962 27 S HN 0.471 nan 8.310 nan 0.000 0.433 28 N N 1.541 120.291 118.700 0.083 0.000 2.149 28 N HA -0.099 4.641 4.740 -0.001 0.000 0.188 28 N C 1.959 177.495 175.510 0.043 0.000 1.019 28 N CA 1.502 54.623 53.050 0.118 0.000 0.857 28 N CB -0.685 37.858 38.487 0.093 0.000 0.997 28 N HN 0.625 nan 8.380 nan 0.000 0.426 29 S N -0.010 115.705 115.700 0.026 0.000 2.442 29 S HA -0.084 4.385 4.470 -0.001 0.000 0.236 29 S C 1.814 176.415 174.600 0.001 0.000 1.007 29 S CA 0.602 58.791 58.200 -0.019 0.000 0.965 29 S CB -0.167 63.038 63.200 0.009 0.000 0.773 29 S HN 0.265 nan 8.310 nan 0.000 0.504 30 L N -0.141 121.110 121.223 0.048 0.000 2.349 30 L HA 0.599 4.939 4.340 -0.001 0.000 0.200 30 L C 0.139 177.057 176.870 0.079 0.000 1.064 30 L CA 0.709 55.580 54.840 0.052 0.000 0.821 30 L CB 0.266 42.139 42.059 -0.311 0.000 1.027 30 L HN 0.512 nan 8.230 nan 0.000 0.476 31 L N -0.928 120.331 121.223 0.060 0.000 2.493 31 L HA 0.409 4.748 4.340 -0.001 0.000 0.265 31 L C 0.250 177.205 176.870 0.142 0.000 0.954 31 L CA -0.503 54.380 54.840 0.071 0.000 0.844 31 L CB 1.685 43.799 42.059 0.092 0.000 1.302 31 L HN 0.032 nan 8.230 nan 0.000 0.405 32 R N 1.315 121.800 120.500 -0.025 0.000 2.146 32 R HA 0.158 4.498 4.340 -0.001 0.000 0.206 32 R C 0.091 176.245 176.300 -0.242 0.000 1.049 32 R CA 0.253 56.272 56.100 -0.135 0.000 1.029 32 R CB 0.101 30.315 30.300 -0.144 0.000 0.949 32 R HN 0.660 nan 8.270 nan 0.000 0.471 33 H N 0.943 119.960 119.070 -0.090 0.000 3.220 33 H HA 0.056 4.611 4.556 -0.001 0.000 0.225 33 H C 0.482 175.848 175.328 0.063 0.000 1.869 33 H CA -0.328 55.684 56.048 -0.061 0.000 1.428 33 H CB -0.152 29.612 29.762 0.004 0.000 1.792 33 H HN 0.384 nan 8.280 nan 0.000 0.595 34 H N 0.601 119.761 119.070 0.151 0.000 2.422 34 H HA -0.132 4.424 4.556 -0.001 0.000 0.298 34 H C 1.435 176.835 175.328 0.121 0.000 1.098 34 H CA 0.426 56.538 56.048 0.108 0.000 1.315 34 H CB 0.340 30.141 29.762 0.065 0.000 1.382 34 H HN 0.542 nan 8.280 nan 0.000 0.523 35 N N 0.538 119.364 118.700 0.211 0.000 2.512 35 N HA -0.059 4.681 4.740 -0.001 0.000 0.183 35 N C 1.348 176.963 175.510 0.174 0.000 1.073 35 N CA 0.747 53.893 53.050 0.160 0.000 0.911 35 N CB 0.074 38.614 38.487 0.088 0.000 0.964 35 N HN 0.498 nan 8.380 nan 0.000 0.447 36 M N 0.151 119.868 119.600 0.194 0.000 2.558 36 M HA 0.069 4.549 4.480 -0.001 0.000 0.255 36 M C 0.031 176.507 176.300 0.293 0.000 1.113 36 M CA 0.359 55.784 55.300 0.208 0.000 1.097 36 M CB 0.573 33.283 32.600 0.183 0.000 1.426 36 M HN -0.246 nan 8.290 nan 0.000 0.488 37 V N 1.072 121.165 119.914 0.298 0.000 2.427 37 V HA 0.364 4.483 4.120 -0.001 0.000 0.286 37 V C -0.750 175.594 176.094 0.416 0.000 1.034 37 V CA -0.726 61.760 62.300 0.311 0.000 0.893 37 V CB 0.791 32.770 31.823 0.261 0.000 0.982 37 V HN 0.317 nan 8.190 nan 0.000 0.452 38 Y N 2.405 122.856 120.300 0.252 0.000 2.655 38 Y HA 0.921 5.471 4.550 -0.001 0.000 0.336 38 Y C -0.509 175.489 175.900 0.164 0.000 1.154 38 Y CA -1.557 56.701 58.100 0.263 0.000 1.055 38 Y CB 1.509 40.082 38.460 0.188 0.000 1.295 38 Y HN 0.702 nan 8.280 nan 0.000 0.465 39 A N 1.241 124.129 122.820 0.113 0.000 2.342 39 A HA 0.683 5.003 4.320 -0.001 0.000 0.323 39 A C -0.268 177.382 177.584 0.109 0.000 1.125 39 A CA -0.416 51.493 52.037 -0.214 0.000 0.785 39 A CB 0.571 19.253 19.000 -0.529 0.000 1.221 39 A HN 1.101 nan 8.150 nan 0.000 0.463 40 T N 0.167 114.774 114.554 0.089 0.000 2.907 40 T HA 0.570 4.920 4.350 -0.001 0.000 0.298 40 T C 0.409 175.170 174.700 0.102 0.000 1.017 40 T CA 0.358 62.576 62.100 0.197 0.000 1.118 40 T CB 0.782 69.784 68.868 0.222 0.000 0.948 40 T HN 1.379 nan 8.240 nan 0.000 0.531 41 T N -0.908 113.710 114.554 0.106 0.000 2.831 41 T HA 0.465 4.815 4.350 -0.001 0.000 0.287 41 T C 1.320 176.052 174.700 0.053 0.000 1.070 41 T CA -0.587 61.557 62.100 0.073 0.000 1.010 41 T CB 1.178 70.095 68.868 0.083 0.000 1.264 41 T HN 0.375 nan 8.240 nan 0.000 0.532 42 S N -0.180 115.544 115.700 0.040 0.000 2.400 42 S HA -0.095 4.375 4.470 -0.001 0.000 0.232 42 S C 2.036 176.640 174.600 0.007 0.000 1.025 42 S CA 1.025 59.237 58.200 0.020 0.000 0.993 42 S CB -0.503 62.709 63.200 0.019 0.000 0.808 42 S HN 0.644 nan 8.310 nan 0.000 0.478 43 R N 1.316 121.827 120.500 0.019 0.000 2.185 43 R HA -0.113 4.227 4.340 -0.001 0.000 0.247 43 R C 2.039 178.337 176.300 -0.004 0.000 1.159 43 R CA 1.632 57.737 56.100 0.010 0.000 0.988 43 R CB -0.380 29.934 30.300 0.024 0.000 0.871 43 R HN 0.546 nan 8.270 nan 0.000 0.458 44 S N -1.310 114.392 115.700 0.003 0.000 2.557 44 S HA 0.269 4.738 4.470 -0.001 0.000 0.223 44 S C 1.651 176.228 174.600 -0.037 0.000 0.969 44 S CA 0.118 58.311 58.200 -0.012 0.000 0.927 44 S CB 1.011 64.219 63.200 0.012 0.000 0.806 44 S HN 0.283 nan 8.310 nan 0.000 0.489 45 A N 2.270 125.060 122.820 -0.049 0.000 1.917 45 A HA 0.096 4.416 4.320 -0.001 0.000 0.219 45 A C 2.287 179.772 177.584 -0.164 0.000 1.182 45 A CA 1.744 53.725 52.037 -0.093 0.000 0.633 45 A CB -1.722 17.222 19.000 -0.092 0.000 0.819 45 A HN 0.666 nan 8.150 nan 0.000 0.448 46 G N -0.300 108.406 108.800 -0.156 0.000 2.442 46 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.219 46 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.219 46 G C 1.543 176.341 174.900 -0.170 0.000 1.141 46 G CA 1.083 46.065 45.100 -0.197 0.000 0.763 46 G HN 0.458 nan 8.290 nan 0.000 0.554 47 L N -0.354 120.804 121.223 -0.107 0.000 2.056 47 L HA -0.019 4.321 4.340 -0.001 0.000 0.207 47 L C 2.917 179.745 176.870 -0.069 0.000 1.078 47 L CA 1.208 56.004 54.840 -0.074 0.000 0.749 47 L CB -0.319 41.712 42.059 -0.047 0.000 0.901 47 L HN 0.161 nan 8.230 nan 0.000 0.433 48 R N 0.545 120.998 120.500 -0.078 0.000 2.073 48 R HA -0.165 4.175 4.340 -0.001 0.000 0.234 48 R C 2.228 178.471 176.300 -0.095 0.000 1.134 48 R CA 1.599 57.665 56.100 -0.056 0.000 0.952 48 R CB -0.470 29.801 30.300 -0.048 0.000 0.850 48 R HN 0.362 nan 8.270 nan 0.000 0.433 49 Q N 0.152 119.809 119.800 -0.239 0.000 2.112 49 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 49 Q C 1.997 177.905 176.000 -0.153 0.000 0.987 49 Q CA 2.137 57.699 55.803 -0.401 0.000 0.858 49 Q CB -0.165 28.032 28.738 -0.902 0.000 0.905 49 Q HN 0.371 nan 8.270 nan 0.000 0.420 50 K N 0.630 120.965 120.400 -0.109 0.000 2.097 50 K HA -0.110 4.210 4.320 -0.001 0.000 0.205 50 K C 2.001 178.667 176.600 0.110 0.000 1.050 50 K CA 0.946 57.238 56.287 0.009 0.000 0.938 50 K CB 0.008 32.498 32.500 -0.015 0.000 0.718 50 K HN 0.117 nan 8.250 nan 0.000 0.442 51 K N 0.704 121.162 120.400 0.096 0.000 2.103 51 K HA -0.076 4.244 4.320 -0.001 0.000 0.204 51 K C 1.965 178.760 176.600 0.326 0.000 1.052 51 K CA 1.373 57.759 56.287 0.166 0.000 0.945 51 K CB 0.028 32.593 32.500 0.107 0.000 0.722 51 K HN 0.101 nan 8.250 nan 0.000 0.443 52 V N -1.176 118.904 119.914 0.276 0.000 3.623 52 V HA 0.054 4.174 4.120 -0.001 0.000 0.271 52 V C 0.296 176.564 176.094 0.291 0.000 1.248 52 V CA 0.276 62.784 62.300 0.346 0.000 1.156 52 V CB -0.155 31.802 31.823 0.223 0.000 0.870 52 V HN -0.041 nan 8.190 nan 0.000 0.453 53 T N 4.233 118.992 114.554 0.343 0.000 2.801 53 T HA 0.726 5.075 4.350 -0.001 0.000 0.306 53 T C -0.755 174.127 174.700 0.305 0.000 1.020 53 T CA -0.081 62.200 62.100 0.300 0.000 0.948 53 T CB 0.256 69.402 68.868 0.463 0.000 0.962 53 T HN 0.611 nan 8.240 nan 0.000 0.465 54 F N -0.199 119.895 119.950 0.240 0.000 2.741 54 F HA 0.688 5.215 4.527 -0.001 0.000 0.313 54 F C -1.104 174.849 175.800 0.256 0.000 1.153 54 F CA -1.760 56.362 58.000 0.203 0.000 0.931 54 F CB 0.809 39.899 39.000 0.150 0.000 1.335 54 F HN 0.222 nan 8.300 nan 0.000 0.460 55 D N 0.621 121.326 120.400 0.508 0.000 2.264 55 D HA 0.506 5.146 4.640 -0.001 0.000 0.250 55 D C -0.839 175.654 176.300 0.321 0.000 1.113 55 D CA -0.082 54.127 54.000 0.350 0.000 0.871 55 D CB 0.863 41.827 40.800 0.272 0.000 1.167 55 D HN 0.535 nan 8.370 nan 0.000 0.447 56 R N 2.404 123.024 120.500 0.200 0.000 2.474 56 R HA 0.696 5.035 4.340 -0.001 0.000 0.295 56 R C -1.039 175.277 176.300 0.027 0.000 0.980 56 R CA -0.735 55.455 56.100 0.150 0.000 0.934 56 R CB 0.973 31.326 30.300 0.088 0.000 1.101 56 R HN 0.354 nan 8.270 nan 0.000 0.469 57 L N 1.226 122.448 121.223 -0.003 0.000 2.401 57 L HA 0.475 4.815 4.340 -0.001 0.000 0.266 57 L C -1.076 175.744 176.870 -0.083 0.000 0.991 57 L CA -0.243 54.551 54.840 -0.078 0.000 0.818 57 L CB 2.177 44.215 42.059 -0.035 0.000 1.321 57 L HN 0.559 nan 8.230 nan 0.000 0.413 58 Q N 2.315 122.040 119.800 -0.126 0.000 2.305 58 Q HA 0.641 4.981 4.340 -0.001 0.000 0.271 58 Q C -1.641 174.294 176.000 -0.110 0.000 1.046 58 Q CA -0.655 55.084 55.803 -0.108 0.000 0.798 58 Q CB 3.167 31.822 28.738 -0.138 0.000 1.286 58 Q HN 0.358 nan 8.270 nan 0.000 0.435 59 V N 4.629 124.498 119.914 -0.075 0.000 2.325 59 V HA 0.367 4.487 4.120 -0.001 0.000 0.280 59 V C -0.538 175.542 176.094 -0.024 0.000 1.016 59 V CA -0.474 61.787 62.300 -0.065 0.000 0.818 59 V CB 1.048 32.833 31.823 -0.065 0.000 1.019 59 V HN 0.614 nan 8.190 nan 0.000 0.434 60 L N 5.595 126.754 121.223 -0.107 0.000 2.264 60 L HA 0.568 4.908 4.340 -0.001 0.000 0.289 60 L C 0.064 176.927 176.870 -0.013 0.000 1.044 60 L CA -0.530 54.199 54.840 -0.186 0.000 0.807 60 L CB 1.250 43.017 42.059 -0.487 0.000 1.192 60 L HN 0.655 nan 8.230 nan 0.000 0.425 61 D N 0.426 120.903 120.400 0.129 0.000 2.588 61 D HA 0.137 4.776 4.640 -0.001 0.000 0.268 61 D C 0.370 176.737 176.300 0.112 0.000 1.176 61 D CA -0.663 53.402 54.000 0.108 0.000 1.080 61 D CB 0.730 41.606 40.800 0.125 0.000 1.186 61 D HN 0.272 nan 8.370 nan 0.000 0.619 62 D N -1.330 119.078 120.400 0.013 0.000 2.144 62 D HA -0.149 4.491 4.640 -0.001 0.000 0.199 62 D C 1.754 178.060 176.300 0.010 0.000 0.984 62 D CA 1.088 55.070 54.000 -0.029 0.000 0.834 62 D CB -0.111 40.615 40.800 -0.123 0.000 0.955 62 D HN 0.404 nan 8.370 nan 0.000 0.465 63 H N -0.302 118.831 119.070 0.105 0.000 2.352 63 H HA -0.158 4.397 4.556 -0.001 0.000 0.299 63 H C 2.023 177.387 175.328 0.060 0.000 1.097 63 H CA 0.954 57.055 56.048 0.088 0.000 1.311 63 H CB -0.657 29.183 29.762 0.130 0.000 1.377 63 H HN 0.319 nan 8.280 nan 0.000 0.504 64 Y N 1.998 122.334 120.300 0.059 0.000 2.070 64 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 64 Y C 2.702 178.548 175.900 -0.089 0.000 1.148 64 Y CA 1.746 59.754 58.100 -0.154 0.000 1.125 64 Y CB -0.136 38.151 38.460 -0.289 0.000 0.975 64 Y HN -0.048 nan 8.280 nan 0.000 0.492 65 R N 0.041 120.603 120.500 0.104 0.000 2.120 65 R HA -0.148 4.192 4.340 -0.001 0.000 0.234 65 R C 1.726 177.998 176.300 -0.047 0.000 1.123 65 R CA 1.351 57.454 56.100 0.005 0.000 0.975 65 R CB -0.320 30.026 30.300 0.076 0.000 0.866 65 R HN 0.435 nan 8.270 nan 0.000 0.446 66 D N 0.109 120.504 120.400 -0.007 0.000 2.097 66 D HA -0.113 4.527 4.640 -0.001 0.000 0.195 66 D C 1.959 178.241 176.300 -0.030 0.000 0.989 66 D CA 1.037 55.036 54.000 -0.000 0.000 0.827 66 D CB -0.168 40.661 40.800 0.049 0.000 0.966 66 D HN -0.018 nan 8.370 nan 0.000 0.456 67 V N 1.150 121.028 119.914 -0.060 0.000 2.358 67 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 67 V C 2.424 178.448 176.094 -0.118 0.000 1.047 67 V CA 0.962 63.212 62.300 -0.082 0.000 1.035 67 V CB -0.418 31.330 31.823 -0.125 0.000 0.658 67 V HN 0.141 nan 8.190 nan 0.000 0.452 68 L N 0.567 121.655 121.223 -0.225 0.000 2.046 68 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 68 L C 2.371 179.170 176.870 -0.117 0.000 1.077 68 L CA 2.135 56.840 54.840 -0.225 0.000 0.747 68 L CB -0.887 40.970 42.059 -0.336 0.000 0.896 68 L HN 0.238 nan 8.230 nan 0.000 0.432 69 K N -0.534 119.815 120.400 -0.085 0.000 2.103 69 K HA -0.219 4.101 4.320 -0.001 0.000 0.207 69 K C 1.961 178.540 176.600 -0.035 0.000 1.048 69 K CA 1.886 58.144 56.287 -0.049 0.000 0.930 69 K CB -0.064 32.418 32.500 -0.030 0.000 0.716 69 K HN 0.525 nan 8.250 nan 0.000 0.444 70 E N 0.048 120.231 120.200 -0.027 0.000 2.072 70 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 70 E C 2.063 178.657 176.600 -0.011 0.000 0.985 70 E CA 1.440 57.836 56.400 -0.007 0.000 0.801 70 E CB -0.030 29.678 29.700 0.013 0.000 0.750 70 E HN 0.325 nan 8.360 nan 0.000 0.452 71 M N 0.550 120.139 119.600 -0.018 0.000 2.117 71 M HA -0.169 4.310 4.480 -0.001 0.000 0.262 71 M C 2.091 178.357 176.300 -0.056 0.000 1.065 71 M CA 1.433 56.712 55.300 -0.035 0.000 1.114 71 M CB -0.119 32.457 32.600 -0.040 0.000 1.361 71 M HN -0.057 nan 8.290 nan 0.000 0.408 72 K N 0.283 120.649 120.400 -0.056 0.000 2.097 72 K HA -0.060 4.260 4.320 -0.001 0.000 0.205 72 K C 2.116 178.695 176.600 -0.034 0.000 1.050 72 K CA 1.323 57.580 56.287 -0.050 0.000 0.938 72 K CB -0.242 32.229 32.500 -0.048 0.000 0.718 72 K HN 0.293 nan 8.250 nan 0.000 0.442 73 A N 1.918 124.722 122.820 -0.028 0.000 1.933 73 A HA -0.192 4.128 4.320 -0.001 0.000 0.218 73 A C 1.879 179.450 177.584 -0.021 0.000 1.175 73 A CA 1.489 53.514 52.037 -0.019 0.000 0.628 73 A CB -0.218 18.774 19.000 -0.013 0.000 0.814 73 A HN 0.185 nan 8.150 nan 0.000 0.444 74 K N -0.516 119.866 120.400 -0.029 0.000 2.103 74 K HA 0.064 4.383 4.320 -0.001 0.000 0.204 74 K C 2.250 178.824 176.600 -0.042 0.000 1.052 74 K CA 0.888 57.154 56.287 -0.036 0.000 0.945 74 K CB -0.262 32.209 32.500 -0.049 0.000 0.722 74 K HN 0.413 nan 8.250 nan 0.000 0.443 75 A N 1.089 123.881 122.820 -0.047 0.000 2.019 75 A HA -0.118 4.202 4.320 -0.001 0.000 0.219 75 A C 2.000 179.571 177.584 -0.021 0.000 1.164 75 A CA 1.545 53.559 52.037 -0.040 0.000 0.644 75 A CB -0.356 18.620 19.000 -0.041 0.000 0.805 75 A HN 0.140 nan 8.150 nan 0.000 0.449 76 S N -0.420 115.270 115.700 -0.018 0.000 2.555 76 S HA -0.070 4.400 4.470 -0.001 0.000 0.230 76 S C 1.868 176.463 174.600 -0.008 0.000 0.978 76 S CA 1.392 59.587 58.200 -0.009 0.000 0.934 76 S CB -0.374 62.822 63.200 -0.008 0.000 0.766 76 S HN 0.905 nan 8.310 nan 0.000 0.533 77 T N -1.039 113.507 114.554 -0.013 0.000 3.065 77 T HA 0.202 4.551 4.350 -0.001 0.000 0.252 77 T C 0.552 175.245 174.700 -0.013 0.000 1.099 77 T CA -0.106 61.987 62.100 -0.012 0.000 1.063 77 T CB -0.247 68.612 68.868 -0.015 0.000 0.948 77 T HN 0.020 nan 8.240 nan 0.000 0.506 78 V N 1.971 121.876 119.914 -0.015 0.000 2.583 78 V HA 0.386 4.505 4.120 -0.001 0.000 0.287 78 V C 0.096 176.187 176.094 -0.004 0.000 1.051 78 V CA -0.632 61.658 62.300 -0.016 0.000 1.010 78 V CB 1.111 32.920 31.823 -0.023 0.000 0.988 78 V HN 0.402 nan 8.190 nan 0.000 0.478 79 K N 3.546 123.944 120.400 -0.004 0.000 2.413 79 K HA 0.746 5.066 4.320 -0.001 0.000 0.257 79 K C -0.718 175.884 176.600 0.005 0.000 0.946 79 K CA -0.381 55.908 56.287 0.005 0.000 0.823 79 K CB 1.504 34.008 32.500 0.006 0.000 1.109 79 K HN 0.838 nan 8.250 nan 0.000 0.427 80 A N 3.953 126.780 122.820 0.011 0.000 2.355 80 A HA 0.567 4.887 4.320 -0.001 0.000 0.324 80 A C -1.205 176.394 177.584 0.026 0.000 1.117 80 A CA -0.911 51.134 52.037 0.013 0.000 0.785 80 A CB 0.914 19.918 19.000 0.006 0.000 1.254 80 A HN 0.832 nan 8.150 nan 0.000 0.453 81 K N 1.669 122.087 120.400 0.030 0.000 2.166 81 K HA 0.760 5.079 4.320 -0.001 0.000 0.245 81 K C -1.147 175.478 176.600 0.042 0.000 0.967 81 K CA -0.679 55.629 56.287 0.034 0.000 0.863 81 K CB 1.350 33.867 32.500 0.029 0.000 1.107 81 K HN 0.512 nan 8.250 nan 0.000 0.436 82 L N 2.305 123.549 121.223 0.034 0.000 2.349 82 L HA 0.187 4.527 4.340 -0.001 0.000 0.275 82 L C -0.392 176.466 176.870 -0.020 0.000 1.115 82 L CA -0.986 53.866 54.840 0.019 0.000 0.820 82 L CB 0.737 42.802 42.059 0.010 0.000 1.135 82 L HN 0.523 nan 8.230 nan 0.000 0.445 83 L N 2.513 123.709 121.223 -0.045 0.000 2.334 83 L HA 0.271 4.610 4.340 -0.001 0.000 0.277 83 L C 0.507 177.282 176.870 -0.158 0.000 1.075 83 L CA 0.358 55.156 54.840 -0.070 0.000 0.804 83 L CB 1.694 43.719 42.059 -0.056 0.000 1.174 83 L HN 0.716 nan 8.230 nan 0.000 0.438 84 S N 1.856 117.472 115.700 -0.139 0.000 2.608 84 S HA 0.194 4.664 4.470 -0.001 0.000 0.261 84 S C 1.257 175.728 174.600 -0.214 0.000 1.314 84 S CA -0.592 57.505 58.200 -0.171 0.000 0.992 84 S CB 0.809 63.943 63.200 -0.110 0.000 0.935 84 S HN 0.351 nan 8.310 nan 0.000 0.564 85 V N 1.239 121.008 119.914 -0.242 0.000 2.407 85 V HA -0.162 3.958 4.120 -0.001 0.000 0.248 85 V C 2.771 178.762 176.094 -0.172 0.000 1.055 85 V CA 2.398 64.541 62.300 -0.263 0.000 1.049 85 V CB -1.380 30.264 31.823 -0.299 0.000 0.662 85 V HN 1.048 nan 8.190 nan 0.000 0.455 86 E N 0.555 120.680 120.200 -0.125 0.000 2.047 86 E HA -0.252 4.098 4.350 -0.001 0.000 0.191 86 E C 2.096 178.634 176.600 -0.104 0.000 0.987 86 E CA 1.736 58.078 56.400 -0.095 0.000 0.799 86 E CB -0.205 29.454 29.700 -0.068 0.000 0.752 86 E HN 0.715 nan 8.360 nan 0.000 0.449 87 E N 0.516 120.649 120.200 -0.111 0.000 2.058 87 E HA -0.227 4.123 4.350 -0.001 0.000 0.194 87 E C 2.171 178.668 176.600 -0.171 0.000 0.997 87 E CA 1.069 57.397 56.400 -0.121 0.000 0.801 87 E CB -0.264 29.372 29.700 -0.106 0.000 0.746 87 E HN 0.432 nan 8.360 nan 0.000 0.450 88 A N 1.060 123.772 122.820 -0.181 0.000 1.883 88 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 88 A C 2.487 179.969 177.584 -0.169 0.000 1.186 88 A CA 1.455 53.373 52.037 -0.198 0.000 0.624 88 A CB -1.055 17.840 19.000 -0.174 0.000 0.822 88 A HN 0.393 nan 8.150 nan 0.000 0.444 89 C N -0.561 118.657 119.300 -0.136 0.000 2.398 89 C HA -0.136 4.324 4.460 -0.001 0.000 0.276 89 C C 2.702 177.628 174.990 -0.106 0.000 1.222 89 C CA 1.457 60.412 59.018 -0.105 0.000 1.746 89 C CB -1.164 26.521 27.740 -0.091 0.000 2.039 89 C HN 0.631 nan 8.230 nan 0.000 0.470 90 K N 0.463 120.800 120.400 -0.105 0.000 2.152 90 K HA -0.102 4.217 4.320 -0.001 0.000 0.206 90 K C 1.527 178.077 176.600 -0.084 0.000 1.048 90 K CA 1.108 57.348 56.287 -0.078 0.000 0.933 90 K CB -0.260 32.200 32.500 -0.066 0.000 0.721 90 K HN 0.526 nan 8.250 nan 0.000 0.447 91 L N 0.976 122.092 121.223 -0.178 0.000 2.610 91 L HA -0.019 4.321 4.340 -0.001 0.000 0.232 91 L C 0.322 177.076 176.870 -0.194 0.000 1.149 91 L CA 0.235 54.912 54.840 -0.271 0.000 0.872 91 L CB -0.217 41.550 42.059 -0.487 0.000 0.992 91 L HN 0.023 nan 8.230 nan 0.000 0.447 92 T N 1.626 116.097 114.554 -0.139 0.000 2.761 92 T HA 0.208 4.557 4.350 -0.001 0.000 0.296 92 T C -2.297 172.284 174.700 -0.198 0.000 0.934 92 T CA -1.166 60.853 62.100 -0.134 0.000 1.091 92 T CB 1.000 69.805 68.868 -0.104 0.000 0.896 92 T HN -0.143 nan 8.240 nan 0.000 0.515 93 P HA 0.085 nan 4.420 nan 0.000 0.262 93 P C -1.867 175.200 177.300 -0.387 0.000 1.182 93 P CA -1.139 61.749 63.100 -0.354 0.000 0.761 93 P CB 0.208 31.822 31.700 -0.142 0.000 0.795 94 P HA -0.184 nan 4.420 nan 0.000 0.217 94 P C 0.263 177.300 177.300 -0.437 0.000 1.148 94 P CA 1.703 64.534 63.100 -0.448 0.000 0.834 94 P CB -0.158 31.275 31.700 -0.446 0.000 0.783 95 H N -2.497 116.451 119.070 -0.203 0.000 2.488 95 H HA 0.290 4.846 4.556 -0.001 0.000 0.294 95 H C 0.452 175.704 175.328 -0.127 0.000 1.088 95 H CA -0.320 55.648 56.048 -0.134 0.000 1.086 95 H CB -0.302 29.398 29.762 -0.105 0.000 1.569 95 H HN -0.030 nan 8.280 nan 0.000 0.548 96 S N 1.130 116.785 115.700 -0.075 0.000 2.568 96 S HA 0.357 4.827 4.470 -0.001 0.000 0.282 96 S C 0.770 175.321 174.600 -0.082 0.000 1.338 96 S CA -0.498 57.648 58.200 -0.090 0.000 1.045 96 S CB 0.228 63.370 63.200 -0.097 0.000 0.873 96 S HN 0.542 nan 8.310 nan 0.000 0.516 97 A N 4.684 127.439 122.820 -0.108 0.000 2.566 97 A HA 0.188 4.508 4.320 -0.001 0.000 0.245 97 A C 0.629 178.183 177.584 -0.050 0.000 1.056 97 A CA 0.053 52.045 52.037 -0.075 0.000 0.757 97 A CB -0.376 18.563 19.000 -0.102 0.000 0.979 97 A HN 0.879 nan 8.150 nan 0.000 0.508 98 K N 2.507 122.870 120.400 -0.062 0.000 2.380 98 K HA 0.287 4.607 4.320 -0.001 0.000 0.267 98 K C 0.354 176.853 176.600 -0.168 0.000 0.990 98 K CA 0.171 56.389 56.287 -0.114 0.000 0.946 98 K CB 0.446 32.879 32.500 -0.110 0.000 0.937 98 K HN 0.467 nan 8.250 nan 0.000 0.491 99 S N 0.659 116.150 115.700 -0.348 0.000 2.592 99 S HA 0.085 4.555 4.470 -0.001 0.000 0.271 99 S C 0.269 174.614 174.600 -0.423 0.000 1.326 99 S CA -0.584 57.353 58.200 -0.439 0.000 1.024 99 S CB 0.623 63.234 63.200 -0.981 0.000 0.921 99 S HN 0.659 nan 8.310 nan 0.000 0.527 100 K N 2.215 122.317 120.400 -0.497 0.000 2.487 100 K HA 0.155 4.475 4.320 -0.001 0.000 0.192 100 K C -0.525 175.564 176.600 -0.852 0.000 1.027 100 K CA 0.496 56.395 56.287 -0.646 0.000 1.054 100 K CB -0.021 32.032 32.500 -0.744 0.000 0.824 100 K HN 0.511 nan 8.250 nan 0.000 0.510 101 F N 0.432 120.193 119.950 -0.315 0.000 2.963 101 F HA 0.307 4.834 4.527 -0.001 0.000 0.321 101 F C 0.989 176.707 175.800 -0.136 0.000 1.234 101 F CA -1.038 56.805 58.000 -0.262 0.000 1.296 101 F CB 0.647 39.355 39.000 -0.486 0.000 0.981 101 F HN 0.085 nan 8.300 nan 0.000 0.507 102 G N 0.932 109.713 108.800 -0.031 0.000 2.198 102 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.257 102 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.257 102 G C -0.411 174.586 174.900 0.162 0.000 1.042 102 G CA 0.449 45.585 45.100 0.059 0.000 0.791 102 G HN 0.696 nan 8.290 nan 0.000 0.502 103 Y N -3.368 116.920 120.300 -0.019 0.000 2.662 103 Y HA 0.682 5.232 4.550 -0.001 0.000 0.334 103 Y C 0.223 176.113 175.900 -0.018 0.000 1.185 103 Y CA -0.942 57.150 58.100 -0.014 0.000 1.074 103 Y CB 0.433 38.893 38.460 0.000 0.000 1.330 103 Y HN 0.770 nan 8.280 nan 0.000 0.458 104 G N 0.078 108.935 108.800 0.096 0.000 3.140 104 G HA2 0.558 4.518 3.960 -0.001 0.000 0.271 104 G HA3 0.558 4.518 3.960 -0.001 0.000 0.271 104 G C 0.249 175.185 174.900 0.061 0.000 1.370 104 G CA -0.779 44.319 45.100 -0.003 0.000 1.014 104 G HN 1.286 nan 8.290 nan 0.000 0.541 105 A N -0.587 122.219 122.820 -0.024 0.000 1.978 105 A HA -0.044 4.276 4.320 -0.001 0.000 0.220 105 A C 2.158 179.698 177.584 -0.073 0.000 1.170 105 A CA 2.357 54.363 52.037 -0.052 0.000 0.636 105 A CB -0.368 18.559 19.000 -0.122 0.000 0.810 105 A HN 0.486 nan 8.150 nan 0.000 0.448 106 K N 0.161 120.512 120.400 -0.082 0.000 2.097 106 K HA -0.098 4.221 4.320 -0.001 0.000 0.205 106 K C 1.365 177.942 176.600 -0.039 0.000 1.050 106 K CA 1.634 57.868 56.287 -0.088 0.000 0.938 106 K CB -0.129 32.316 32.500 -0.092 0.000 0.718 106 K HN 0.494 nan 8.250 nan 0.000 0.442 107 D N -0.453 119.955 120.400 0.014 0.000 2.183 107 D HA -0.107 4.533 4.640 -0.001 0.000 0.203 107 D C 1.837 178.139 176.300 0.004 0.000 0.969 107 D CA 0.880 54.896 54.000 0.027 0.000 0.842 107 D CB 0.029 40.887 40.800 0.096 0.000 0.957 107 D HN -0.002 nan 8.370 nan 0.000 0.484 108 V N 1.466 121.404 119.914 0.040 0.000 2.270 108 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 108 V C 2.491 178.561 176.094 -0.040 0.000 1.043 108 V CA 1.469 63.773 62.300 0.007 0.000 1.014 108 V CB -0.361 31.497 31.823 0.059 0.000 0.645 108 V HN 0.098 nan 8.190 nan 0.000 0.447 109 R N 0.280 120.746 120.500 -0.056 0.000 2.120 109 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 109 R C 1.801 178.066 176.300 -0.059 0.000 1.123 109 R CA 1.588 57.644 56.100 -0.074 0.000 0.975 109 R CB -0.355 29.881 30.300 -0.108 0.000 0.866 109 R HN 0.476 nan 8.270 nan 0.000 0.446 110 N N 0.233 118.902 118.700 -0.051 0.000 2.412 110 N HA 0.113 4.852 4.740 -0.001 0.000 0.184 110 N C -0.045 175.440 175.510 -0.042 0.000 1.101 110 N CA 0.218 53.243 53.050 -0.043 0.000 0.881 110 N CB 0.246 38.711 38.487 -0.037 0.000 0.969 110 N HN 0.070 nan 8.380 nan 0.000 0.459 111 L N 0.162 121.355 121.223 -0.049 0.000 3.717 111 L HA -0.235 4.104 4.340 -0.001 0.000 0.411 111 L C -0.103 176.736 176.870 -0.053 0.000 1.233 111 L CA -0.029 54.779 54.840 -0.053 0.000 0.917 111 L CB -2.613 39.419 42.059 -0.044 0.000 1.902 111 L HN 0.207 nan 8.230 nan 0.000 0.894 112 S N -0.864 114.802 115.700 -0.057 0.000 2.558 112 S HA 0.215 4.685 4.470 -0.001 0.000 0.288 112 S C 1.535 176.093 174.600 -0.070 0.000 1.318 112 S CA 0.024 58.193 58.200 -0.053 0.000 1.056 112 S CB 1.727 64.901 63.200 -0.043 0.000 0.853 112 S HN 0.535 nan 8.310 nan 0.000 0.505 113 S N 3.248 118.919 115.700 -0.049 0.000 2.365 113 S HA -0.281 4.189 4.470 -0.001 0.000 0.225 113 S C 1.745 176.307 174.600 -0.063 0.000 1.039 113 S CA 1.447 59.620 58.200 -0.045 0.000 1.033 113 S CB -0.759 62.423 63.200 -0.030 0.000 0.887 113 S HN 0.869 nan 8.310 nan 0.000 0.447 114 K N 1.556 121.915 120.400 -0.068 0.000 2.032 114 K HA -0.088 4.232 4.320 -0.001 0.000 0.209 114 K C 2.402 178.851 176.600 -0.251 0.000 1.048 114 K CA 1.382 57.619 56.287 -0.082 0.000 0.927 114 K CB -0.705 31.780 32.500 -0.024 0.000 0.712 114 K HN 0.491 nan 8.250 nan 0.000 0.441 115 A N 0.422 122.992 122.820 -0.418 0.000 1.898 115 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 115 A C 2.239 179.568 177.584 -0.425 0.000 1.181 115 A CA 1.564 53.087 52.037 -0.855 0.000 0.620 115 A CB -0.592 18.057 19.000 -0.586 0.000 0.819 115 A HN 0.184 nan 8.150 nan 0.000 0.442 116 V N 1.171 120.968 119.914 -0.194 0.000 2.407 116 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 116 V C 2.232 178.372 176.094 0.075 0.000 1.055 116 V CA 2.055 64.323 62.300 -0.053 0.000 1.049 116 V CB -0.916 30.916 31.823 0.014 0.000 0.662 116 V HN 0.559 nan 8.190 nan 0.000 0.455 117 N N -0.669 118.047 118.700 0.026 0.000 2.188 117 N HA -0.168 4.571 4.740 -0.001 0.000 0.184 117 N C 1.883 177.428 175.510 0.058 0.000 1.018 117 N CA 1.400 54.486 53.050 0.060 0.000 0.858 117 N CB -0.481 38.015 38.487 0.014 0.000 0.989 117 N HN 0.629 nan 8.380 nan 0.000 0.426 118 H N 0.976 119.996 119.070 -0.084 0.000 2.395 118 H HA 0.089 4.645 4.556 -0.001 0.000 0.299 118 H C 2.047 177.365 175.328 -0.016 0.000 1.070 118 H CA 0.748 56.766 56.048 -0.050 0.000 1.356 118 H CB 0.132 29.895 29.762 0.002 0.000 1.401 118 H HN 0.120 nan 8.280 nan 0.000 0.524 119 I N 0.200 120.726 120.570 -0.072 0.000 2.226 119 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 119 I C 2.271 178.319 176.117 -0.116 0.000 1.100 119 I CA 1.340 62.580 61.300 -0.100 0.000 1.374 119 I CB -0.376 37.545 38.000 -0.132 0.000 1.057 119 I HN 0.293 nan 8.210 nan 0.000 0.413 120 H N -0.040 118.996 119.070 -0.057 0.000 2.421 120 H HA -0.142 4.413 4.556 -0.001 0.000 0.298 120 H C 2.518 177.855 175.328 0.015 0.000 1.087 120 H CA 1.822 57.867 56.048 -0.005 0.000 1.330 120 H CB 0.047 29.790 29.762 -0.032 0.000 1.388 120 H HN 0.369 nan 8.280 nan 0.000 0.526 121 S N -0.397 115.318 115.700 0.025 0.000 2.387 121 S HA -0.101 4.369 4.470 -0.001 0.000 0.226 121 S C 2.247 176.779 174.600 -0.113 0.000 1.026 121 S CA 0.992 59.159 58.200 -0.055 0.000 0.972 121 S CB -0.616 62.510 63.200 -0.123 0.000 0.814 121 S HN 0.153 nan 8.310 nan 0.000 0.477 122 V N 0.921 120.710 119.914 -0.207 0.000 2.343 122 V HA -0.121 3.998 4.120 -0.001 0.000 0.247 122 V C 2.237 178.318 176.094 -0.022 0.000 1.051 122 V CA 1.793 63.991 62.300 -0.169 0.000 1.036 122 V CB -1.009 30.705 31.823 -0.181 0.000 0.654 122 V HN 0.707 nan 8.190 nan 0.000 0.451 123 W N 1.328 122.550 121.300 -0.130 0.000 2.355 123 W HA -0.222 4.438 4.660 -0.000 0.000 0.309 123 W C 2.532 179.016 176.519 -0.059 0.000 1.206 123 W CA 2.247 59.540 57.345 -0.087 0.000 1.284 123 W CB -0.155 29.248 29.460 -0.095 0.000 1.145 123 W HN 0.231 nan 8.180 nan 0.000 0.502 124 K N 0.591 121.044 120.400 0.088 0.000 2.032 124 K HA -0.291 4.028 4.320 -0.001 0.000 0.209 124 K C 1.760 178.296 176.600 -0.107 0.000 1.048 124 K CA 2.384 58.669 56.287 -0.003 0.000 0.927 124 K CB -0.649 31.881 32.500 0.050 0.000 0.712 124 K HN 0.017 nan 8.250 nan 0.000 0.441 125 D N 0.172 120.511 120.400 -0.102 0.000 2.144 125 D HA -0.153 4.487 4.640 -0.001 0.000 0.199 125 D C 1.939 178.143 176.300 -0.160 0.000 0.984 125 D CA 1.005 54.937 54.000 -0.113 0.000 0.834 125 D CB 0.044 40.783 40.800 -0.101 0.000 0.955 125 D HN 0.234 nan 8.370 nan 0.000 0.465 126 L N -0.171 120.913 121.223 -0.232 0.000 2.083 126 L HA -0.120 4.220 4.340 -0.001 0.000 0.209 126 L C 2.400 179.077 176.870 -0.321 0.000 1.083 126 L CA 0.596 55.259 54.840 -0.294 0.000 0.752 126 L CB -0.260 41.550 42.059 -0.415 0.000 0.899 126 L HN 0.227 nan 8.230 nan 0.000 0.433 127 L N -0.859 120.142 121.223 -0.369 0.000 2.109 127 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 127 L C 2.265 179.036 176.870 -0.164 0.000 1.086 127 L CA 1.157 55.825 54.840 -0.287 0.000 0.760 127 L CB -0.331 41.562 42.059 -0.276 0.000 0.910 127 L HN 0.264 nan 8.230 nan 0.000 0.437 128 E N -1.033 119.086 120.200 -0.134 0.000 2.299 128 E HA -0.069 4.280 4.350 -0.001 0.000 0.193 128 E C 0.171 176.724 176.600 -0.079 0.000 0.998 128 E CA 0.229 56.577 56.400 -0.087 0.000 0.851 128 E CB 0.314 29.974 29.700 -0.067 0.000 0.795 128 E HN 0.184 nan 8.360 nan 0.000 0.492 129 D N 0.270 120.613 120.400 -0.094 0.000 2.549 129 D HA 0.057 4.696 4.640 -0.001 0.000 0.251 129 D C -0.217 176.031 176.300 -0.088 0.000 1.153 129 D CA -0.333 53.621 54.000 -0.076 0.000 0.861 129 D CB 1.441 42.201 40.800 -0.067 0.000 1.207 129 D HN -0.054 nan 8.370 nan 0.000 0.543 130 T N 0.385 114.897 114.554 -0.071 0.000 3.228 130 T HA 0.263 4.613 4.350 -0.001 0.000 0.278 130 T C 0.911 175.582 174.700 -0.049 0.000 1.014 130 T CA -0.175 61.883 62.100 -0.070 0.000 0.904 130 T CB 0.186 69.017 68.868 -0.062 0.000 1.110 130 T HN 0.134 nan 8.240 nan 0.000 0.541 131 V N -0.002 119.887 119.914 -0.042 0.000 3.159 131 V HA 0.189 4.309 4.120 -0.001 0.000 0.234 131 V C 0.972 177.056 176.094 -0.016 0.000 1.313 131 V CA 0.211 62.495 62.300 -0.025 0.000 1.271 131 V CB 0.073 31.883 31.823 -0.021 0.000 1.053 131 V HN 0.458 nan 8.190 nan 0.000 0.476 132 T N 4.189 118.731 114.554 -0.020 0.000 2.793 132 T HA 0.184 4.533 4.350 -0.001 0.000 0.289 132 T C -2.433 172.266 174.700 -0.002 0.000 0.956 132 T CA -0.461 61.636 62.100 -0.006 0.000 1.177 132 T CB 0.575 69.438 68.868 -0.009 0.000 0.897 132 T HN 0.173 nan 8.240 nan 0.000 0.533 133 P HA 0.131 nan 4.420 nan 0.000 0.265 133 P C -0.115 177.187 177.300 0.004 0.000 1.193 133 P CA -0.047 63.070 63.100 0.027 0.000 0.765 133 P CB 0.349 32.116 31.700 0.112 0.000 0.823 134 I N 2.198 122.752 120.570 -0.028 0.000 2.472 134 I HA 0.159 4.328 4.170 -0.001 0.000 0.290 134 I C 0.944 177.047 176.117 -0.023 0.000 1.016 134 I CA -0.448 60.841 61.300 -0.019 0.000 1.348 134 I CB 0.800 38.779 38.000 -0.035 0.000 1.417 134 I HN 0.318 nan 8.210 nan 0.000 0.521 135 D N 3.879 124.281 120.400 0.003 0.000 2.372 135 D HA 0.252 4.892 4.640 -0.001 0.000 0.243 135 D C -0.421 175.849 176.300 -0.050 0.000 1.121 135 D CA 0.225 54.215 54.000 -0.017 0.000 0.898 135 D CB 0.859 41.666 40.800 0.011 0.000 1.202 135 D HN 0.646 nan 8.370 nan 0.000 0.428 136 T N -0.926 113.569 114.554 -0.098 0.000 2.903 136 T HA 0.578 4.927 4.350 -0.001 0.000 0.299 136 T C -0.510 174.044 174.700 -0.244 0.000 1.093 136 T CA -0.975 61.025 62.100 -0.166 0.000 1.002 136 T CB 1.530 70.320 68.868 -0.130 0.000 1.127 136 T HN 0.205 nan 8.240 nan 0.000 0.488 137 T N 2.387 116.647 114.554 -0.490 0.000 2.795 137 T HA 0.578 4.928 4.350 -0.001 0.000 0.282 137 T C -0.386 174.052 174.700 -0.437 0.000 0.980 137 T CA -0.591 61.193 62.100 -0.526 0.000 1.012 137 T CB 0.649 69.015 68.868 -0.836 0.000 0.936 137 T HN 0.716 nan 8.240 nan 0.000 0.457 138 I N 4.491 124.967 120.570 -0.156 0.000 2.377 138 I HA 0.536 4.706 4.170 -0.001 0.000 0.293 138 I C -0.970 175.171 176.117 0.040 0.000 0.987 138 I CA -0.763 60.530 61.300 -0.011 0.000 1.185 138 I CB 0.665 38.713 38.000 0.079 0.000 1.341 138 I HN 0.410 nan 8.210 nan 0.000 0.455 139 M N 6.317 125.987 119.600 0.116 0.000 2.550 139 M HA 0.490 4.970 4.480 -0.001 0.000 0.292 139 M C -0.731 175.635 176.300 0.110 0.000 1.221 139 M CA -0.609 54.770 55.300 0.130 0.000 0.873 139 M CB 1.864 34.596 32.600 0.219 0.000 1.727 139 M HN 0.587 nan 8.290 nan 0.000 0.459 140 A N 2.379 125.245 122.820 0.076 0.000 2.260 140 A HA 0.522 4.842 4.320 -0.001 0.000 0.308 140 A C -0.066 177.557 177.584 0.065 0.000 1.254 140 A CA -0.566 51.507 52.037 0.060 0.000 0.874 140 A CB 0.339 19.360 19.000 0.036 0.000 1.153 140 A HN 0.722 nan 8.150 nan 0.000 0.527 141 K N 2.111 122.552 120.400 0.069 0.000 2.326 141 K HA 0.087 4.407 4.320 -0.001 0.000 0.275 141 K C -0.616 175.997 176.600 0.021 0.000 1.018 141 K CA 0.054 56.368 56.287 0.046 0.000 0.962 141 K CB 0.618 33.150 32.500 0.053 0.000 0.953 141 K HN 0.750 nan 8.250 nan 0.000 0.475 142 N N 2.657 121.340 118.700 -0.028 0.000 2.558 142 N HA 0.081 4.821 4.740 -0.001 0.000 0.233 142 N C -1.099 174.291 175.510 -0.199 0.000 1.038 142 N CA -0.207 52.790 53.050 -0.089 0.000 0.934 142 N CB 0.829 39.260 38.487 -0.094 0.000 1.175 142 N HN 0.364 nan 8.380 nan 0.000 0.512 143 E N 0.916 120.995 120.200 -0.202 0.000 2.227 143 E HA 0.419 4.769 4.350 -0.001 0.000 0.268 143 E C -0.786 175.415 176.600 -0.664 0.000 0.907 143 E CA -0.956 55.203 56.400 -0.402 0.000 0.786 143 E CB 2.466 32.005 29.700 -0.268 0.000 1.191 143 E HN 0.095 nan 8.360 nan 0.000 0.411 144 V N 3.456 122.823 119.914 -0.912 0.000 2.439 144 V HA 0.447 4.566 4.120 -0.001 0.000 0.282 144 V C -0.724 174.723 176.094 -1.078 0.000 1.039 144 V CA -0.152 61.626 62.300 -0.871 0.000 0.913 144 V CB 0.110 31.546 31.823 -0.646 0.000 0.983 144 V HN 0.514 nan 8.190 nan 0.000 0.460 145 F N 2.227 121.840 119.950 -0.561 0.000 2.692 145 F HA 0.609 5.136 4.527 -0.000 0.000 0.320 145 F C 0.010 175.662 175.800 -0.246 0.000 1.123 145 F CA -0.767 56.998 58.000 -0.393 0.000 0.961 145 F CB 1.329 40.099 39.000 -0.384 0.000 1.383 145 F HN 0.512 nan 8.300 nan 0.000 0.483 146 C N 2.856 122.294 119.300 0.229 0.000 2.355 146 C HA 0.801 5.261 4.460 -0.001 0.000 0.332 146 C C 0.074 175.297 174.990 0.388 0.000 1.255 146 C CA -0.704 58.471 59.018 0.261 0.000 1.792 146 C CB -0.152 27.684 27.740 0.160 0.000 2.300 146 C HN 0.723 nan 8.230 nan 0.000 0.515 147 V N 4.741 124.896 119.914 0.401 0.000 3.178 147 V HA 0.350 4.470 4.120 -0.001 0.000 0.306 147 V C 0.099 176.275 176.094 0.135 0.000 1.107 147 V CA 0.419 62.869 62.300 0.249 0.000 1.195 147 V CB -0.075 31.810 31.823 0.104 0.000 0.993 147 V HN 1.392 nan 8.190 nan 0.000 0.493 155 K N 2.327 122.729 120.400 0.004 0.000 2.123 155 K HA 0.577 4.896 4.320 -0.001 0.000 0.259 155 K C -2.358 174.257 176.600 0.025 0.000 0.960 155 K CA -1.702 54.565 56.287 -0.033 0.000 0.872 155 K CB 1.720 34.127 32.500 -0.156 0.000 1.079 155 K HN 0.135 nan 8.250 nan 0.000 0.440 156 P HA -0.000 nan 4.420 nan 0.000 0.271 156 P C -0.467 176.861 177.300 0.047 0.000 1.218 156 P CA -0.295 62.818 63.100 0.022 0.000 0.780 156 P CB 0.856 32.553 31.700 -0.006 0.000 0.901 157 A N 4.182 127.044 122.820 0.070 0.000 2.520 157 A HA 0.062 4.382 4.320 -0.001 0.000 0.235 157 A C 0.727 178.353 177.584 0.069 0.000 1.065 157 A CA 0.037 52.128 52.037 0.089 0.000 0.764 157 A CB -0.232 18.812 19.000 0.074 0.000 1.002 157 A HN 0.497 nan 8.150 nan 0.000 0.502 158 R N 0.435 120.993 120.500 0.097 0.000 2.560 158 R HA 0.507 4.846 4.340 -0.001 0.000 0.270 158 R C -0.678 175.675 176.300 0.088 0.000 1.074 158 R CA -0.407 55.750 56.100 0.095 0.000 1.140 158 R CB 0.506 30.880 30.300 0.123 0.000 1.073 158 R HN 0.664 nan 8.270 nan 0.000 0.527 159 L N 2.233 123.513 121.223 0.095 0.000 2.325 159 L HA 0.511 4.851 4.340 -0.001 0.000 0.278 159 L C -0.443 176.516 176.870 0.149 0.000 1.023 159 L CA -0.981 53.920 54.840 0.102 0.000 0.811 159 L CB 1.496 43.599 42.059 0.074 0.000 1.249 159 L HN 0.454 nan 8.230 nan 0.000 0.431 160 I N 2.837 123.511 120.570 0.174 0.000 2.418 160 I HA 0.450 4.620 4.170 -0.001 0.000 0.287 160 I C -0.932 175.358 176.117 0.289 0.000 1.008 160 I CA -0.312 61.129 61.300 0.234 0.000 1.104 160 I CB 1.817 39.956 38.000 0.232 0.000 1.264 160 I HN 0.182 nan 8.210 nan 0.000 0.438 161 V N 9.046 129.124 119.914 0.273 0.000 2.378 161 V HA 0.582 4.702 4.120 -0.001 0.000 0.288 161 V C -0.679 175.565 176.094 0.249 0.000 1.016 161 V CA -0.460 61.946 62.300 0.177 0.000 0.840 161 V CB 0.908 32.820 31.823 0.149 0.000 0.994 161 V HN 0.591 nan 8.190 nan 0.000 0.431 162 F N 5.091 125.086 119.950 0.075 0.000 2.601 162 F HA 0.951 5.478 4.527 -0.001 0.000 0.309 162 F C -3.010 172.827 175.800 0.062 0.000 1.089 162 F CA -2.851 55.192 58.000 0.072 0.000 0.940 162 F CB 1.726 40.764 39.000 0.063 0.000 1.273 162 F HN 0.283 nan 8.300 nan 0.000 0.450 163 P HA 0.191 nan 4.420 nan 0.000 0.281 163 P C -1.096 176.325 177.300 0.202 0.000 1.281 163 P CA -0.173 62.994 63.100 0.112 0.000 0.811 163 P CB 1.346 33.117 31.700 0.118 0.000 1.154 164 D N -0.737 119.760 120.400 0.163 0.000 2.378 164 D HA -0.049 4.590 4.640 -0.001 0.000 0.238 164 D C 1.380 177.807 176.300 0.212 0.000 1.180 164 D CA -0.313 53.804 54.000 0.195 0.000 0.895 164 D CB 0.296 41.246 40.800 0.249 0.000 1.192 164 D HN 0.107 nan 8.370 nan 0.000 0.438 165 L N 3.172 124.494 121.223 0.164 0.000 2.021 165 L HA -0.033 4.306 4.340 -0.001 0.000 0.215 165 L C 2.060 179.071 176.870 0.234 0.000 1.074 165 L CA 2.650 57.578 54.840 0.147 0.000 0.760 165 L CB -1.147 40.941 42.059 0.049 0.000 0.889 165 L HN 0.669 nan 8.230 nan 0.000 0.433 166 G N -1.262 107.752 108.800 0.358 0.000 2.440 166 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 166 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 166 G C 1.536 176.576 174.900 0.234 0.000 1.154 166 G CA 1.107 46.460 45.100 0.422 0.000 0.767 166 G HN 0.368 nan 8.290 nan 0.000 0.552 167 V N 0.662 120.704 119.914 0.212 0.000 2.358 167 V HA -0.131 3.989 4.120 -0.001 0.000 0.246 167 V C 2.924 179.107 176.094 0.148 0.000 1.047 167 V CA 1.785 64.175 62.300 0.149 0.000 1.035 167 V CB -0.422 31.476 31.823 0.125 0.000 0.658 167 V HN 0.330 nan 8.190 nan 0.000 0.452 168 R N -0.297 120.296 120.500 0.156 0.000 2.105 168 R HA -0.126 4.213 4.340 -0.001 0.000 0.239 168 R C 2.197 178.559 176.300 0.104 0.000 1.135 168 R CA 1.440 57.621 56.100 0.135 0.000 0.967 168 R CB -0.611 29.761 30.300 0.121 0.000 0.861 168 R HN 0.420 nan 8.270 nan 0.000 0.442 169 V N 0.292 120.263 119.914 0.095 0.000 2.427 169 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 169 V C 2.431 178.552 176.094 0.046 0.000 1.051 169 V CA 1.429 63.754 62.300 0.041 0.000 1.048 169 V CB -0.387 31.455 31.823 0.032 0.000 0.666 169 V HN 0.442 nan 8.190 nan 0.000 0.456 170 C N -0.217 119.157 119.300 0.123 0.000 2.440 170 C HA -0.102 4.358 4.460 -0.001 0.000 0.278 170 C C 2.649 177.811 174.990 0.286 0.000 1.295 170 C CA 0.640 59.810 59.018 0.255 0.000 1.738 170 C CB -0.895 27.064 27.740 0.366 0.000 1.987 170 C HN 0.610 nan 8.230 nan 0.000 0.492 171 E N 0.905 121.227 120.200 0.203 0.000 2.085 171 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 171 E C 2.143 178.854 176.600 0.186 0.000 0.994 171 E CA 1.165 57.692 56.400 0.211 0.000 0.801 171 E CB -0.129 29.701 29.700 0.217 0.000 0.743 171 E HN 0.631 nan 8.360 nan 0.000 0.453 172 K N 0.370 120.846 120.400 0.127 0.000 2.032 172 K HA -0.126 4.194 4.320 -0.001 0.000 0.209 172 K C 2.226 178.877 176.600 0.084 0.000 1.048 172 K CA 1.482 57.826 56.287 0.095 0.000 0.927 172 K CB -0.139 32.337 32.500 -0.039 0.000 0.712 172 K HN 0.114 nan 8.250 nan 0.000 0.441 173 M N 0.192 119.796 119.600 0.006 0.000 2.108 173 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 173 M C 2.385 178.712 176.300 0.045 0.000 1.066 173 M CA 1.815 57.058 55.300 -0.096 0.000 1.107 173 M CB -0.336 32.011 32.600 -0.423 0.000 1.356 173 M HN 0.235 nan 8.290 nan 0.000 0.406 174 A N -0.684 122.278 122.820 0.236 0.000 2.021 174 A HA 0.120 4.439 4.320 -0.001 0.000 0.216 174 A C 1.792 179.469 177.584 0.155 0.000 1.163 174 A CA 0.898 53.119 52.037 0.306 0.000 0.676 174 A CB -0.080 19.167 19.000 0.411 0.000 0.818 174 A HN 0.491 nan 8.150 nan 0.000 0.453 175 L N -2.973 118.328 121.223 0.130 0.000 3.086 175 L HA 0.197 4.537 4.340 -0.001 0.000 0.274 175 L C 1.789 178.689 176.870 0.052 0.000 1.184 175 L CA -0.020 54.841 54.840 0.035 0.000 1.002 175 L CB 0.030 42.074 42.059 -0.026 0.000 1.383 175 L HN 0.405 nan 8.230 nan 0.000 0.582 176 Y N 1.697 122.005 120.300 0.014 0.000 2.081 176 Y HA -0.349 4.200 4.550 -0.001 0.000 0.280 176 Y C 2.233 178.159 175.900 0.043 0.000 1.163 176 Y CA 2.338 60.458 58.100 0.035 0.000 1.135 176 Y CB 0.040 38.505 38.460 0.009 0.000 0.970 176 Y HN 0.234 nan 8.280 nan 0.000 0.498 177 D N -0.838 119.584 120.400 0.036 0.000 2.144 177 D HA -0.162 4.478 4.640 -0.001 0.000 0.199 177 D C 2.210 178.448 176.300 -0.102 0.000 0.984 177 D CA 1.363 55.337 54.000 -0.043 0.000 0.834 177 D CB -0.208 40.616 40.800 0.040 0.000 0.955 177 D HN 0.257 nan 8.370 nan 0.000 0.465 178 V N 0.404 120.264 119.914 -0.089 0.000 2.237 178 V HA -0.225 3.894 4.120 -0.001 0.000 0.245 178 V C 2.673 178.670 176.094 -0.163 0.000 1.046 178 V CA 1.846 64.076 62.300 -0.118 0.000 1.007 178 V CB -0.697 31.027 31.823 -0.165 0.000 0.638 178 V HN 0.344 nan 8.190 nan 0.000 0.445 179 V N -2.391 117.405 119.914 -0.197 0.000 3.078 179 V HA -0.081 4.038 4.120 -0.001 0.000 0.265 179 V C 1.954 177.911 176.094 -0.230 0.000 1.122 179 V CA 2.046 64.227 62.300 -0.199 0.000 1.141 179 V CB -0.359 31.367 31.823 -0.162 0.000 0.735 179 V HN 0.455 nan 8.190 nan 0.000 0.498 180 S N 0.879 116.434 115.700 -0.243 0.000 2.486 180 S HA 0.001 4.470 4.470 -0.001 0.000 0.220 180 S C 1.863 176.381 174.600 -0.136 0.000 1.011 180 S CA 1.247 59.325 58.200 -0.203 0.000 0.921 180 S CB 0.149 63.164 63.200 -0.309 0.000 0.785 180 S HN 0.945 nan 8.310 nan 0.000 0.517 181 T N -1.072 113.395 114.554 -0.145 0.000 2.964 181 T HA 0.300 4.649 4.350 -0.001 0.000 0.250 181 T C 1.612 176.221 174.700 -0.153 0.000 0.982 181 T CA -0.205 61.825 62.100 -0.117 0.000 0.959 181 T CB -0.486 68.338 68.868 -0.074 0.000 1.141 181 T HN 0.205 nan 8.240 nan 0.000 0.494 182 L N 1.871 122.998 121.223 -0.160 0.000 2.046 182 L HA 0.126 4.465 4.340 -0.001 0.000 0.208 182 L C -0.888 175.823 176.870 -0.265 0.000 1.077 182 L CA 1.360 56.106 54.840 -0.156 0.000 0.747 182 L CB -0.763 41.251 42.059 -0.075 0.000 0.896 182 L HN 0.151 nan 8.230 nan 0.000 0.432 183 P HA -0.242 nan 4.420 nan 0.000 0.214 183 P C 1.339 178.218 177.300 -0.702 0.000 1.163 183 P CA 1.312 63.967 63.100 -0.740 0.000 0.889 183 P CB -0.169 30.696 31.700 -1.391 0.000 0.790 184 Q N 0.017 119.467 119.800 -0.583 0.000 2.170 184 Q HA -0.101 4.239 4.340 -0.001 0.000 0.203 184 Q C 1.913 177.798 176.000 -0.192 0.000 0.976 184 Q CA 1.402 57.050 55.803 -0.260 0.000 0.858 184 Q CB -0.719 27.965 28.738 -0.090 0.000 0.907 184 Q HN 0.085 nan 8.270 nan 0.000 0.433 185 V N -0.112 119.688 119.914 -0.190 0.000 2.379 185 V HA -0.177 3.943 4.120 -0.001 0.000 0.245 185 V C 2.459 178.466 176.094 -0.145 0.000 1.044 185 V CA 1.258 63.479 62.300 -0.131 0.000 1.036 185 V CB -0.272 31.489 31.823 -0.104 0.000 0.664 185 V HN 0.118 nan 8.190 nan 0.000 0.453 186 V N -0.540 119.250 119.914 -0.206 0.000 2.379 186 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 186 V C 2.033 177.952 176.094 -0.292 0.000 1.044 186 V CA 2.045 64.212 62.300 -0.220 0.000 1.036 186 V CB -0.389 31.283 31.823 -0.252 0.000 0.664 186 V HN 0.472 nan 8.190 nan 0.000 0.453 187 M N -1.024 118.336 119.600 -0.399 0.000 2.382 187 M HA 0.372 4.852 4.480 -0.001 0.000 0.247 187 M C 1.387 177.586 176.300 -0.169 0.000 1.104 187 M CA 0.718 55.728 55.300 -0.482 0.000 1.030 187 M CB 0.332 32.496 32.600 -0.726 0.000 1.424 187 M HN 0.442 nan 8.290 nan 0.000 0.486 188 G N 1.660 110.384 108.800 -0.126 0.000 2.582 188 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.288 188 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.288 188 G C 0.788 175.650 174.900 -0.063 0.000 1.247 188 G CA 0.712 45.778 45.100 -0.056 0.000 0.972 188 G HN 0.541 nan 8.290 nan 0.000 0.557 189 S N -0.744 114.941 115.700 -0.025 0.000 2.493 189 S HA 0.026 4.496 4.470 -0.001 0.000 0.243 189 S C 2.155 176.574 174.600 -0.302 0.000 0.991 189 S CA 2.040 60.169 58.200 -0.120 0.000 0.957 189 S CB -0.142 63.096 63.200 0.063 0.000 0.756 189 S HN 1.066 nan 8.310 nan 0.000 0.521 190 S N 0.143 115.804 115.700 -0.065 0.000 2.522 190 S HA 0.135 4.605 4.470 -0.001 0.000 0.227 190 S C 0.217 174.803 174.600 -0.023 0.000 0.986 190 S CA -0.174 58.042 58.200 0.026 0.000 0.929 190 S CB -0.380 62.973 63.200 0.255 0.000 0.769 190 S HN 0.711 nan 8.310 nan 0.000 0.529 191 Y N 3.051 123.196 120.300 -0.257 0.000 2.584 191 Y HA 0.447 4.997 4.550 -0.001 0.000 0.351 191 Y C 1.265 176.927 175.900 -0.397 0.000 1.030 191 Y CA -1.477 56.448 58.100 -0.291 0.000 1.332 191 Y CB -0.046 38.246 38.460 -0.280 0.000 1.148 191 Y HN 0.063 nan 8.280 nan 0.000 0.528 192 G N 4.556 112.954 108.800 -0.670 0.000 2.448 192 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 192 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 192 G C 1.051 175.404 174.900 -0.911 0.000 1.127 192 G CA 0.285 44.964 45.100 -0.702 0.000 0.766 192 G HN 0.646 nan 8.290 nan 0.000 0.552 193 F N 1.238 120.490 119.950 -1.164 0.000 2.771 193 F HA 0.052 4.578 4.527 -0.001 0.000 0.299 193 F C 2.747 178.293 175.800 -0.424 0.000 1.177 193 F CA 0.855 58.303 58.000 -0.920 0.000 1.450 193 F CB -0.069 38.369 39.000 -0.938 0.000 1.114 193 F HN 0.390 nan 8.300 nan 0.000 0.587 194 Q N -1.001 118.522 119.800 -0.461 0.000 2.403 194 Q HA -0.008 4.332 4.340 -0.001 0.000 0.203 194 Q C -0.690 175.185 176.000 -0.210 0.000 0.932 194 Q CA 0.518 56.169 55.803 -0.254 0.000 0.945 194 Q CB -0.164 28.339 28.738 -0.392 0.000 1.045 194 Q HN 0.278 nan 8.270 nan 0.000 0.511 195 Y N 1.379 121.684 120.300 0.009 0.000 2.446 195 Y HA 0.377 4.927 4.550 -0.001 0.000 0.338 195 Y C 0.542 176.312 175.900 -0.217 0.000 1.055 195 Y CA -1.451 56.608 58.100 -0.068 0.000 1.101 195 Y CB 1.593 39.973 38.460 -0.133 0.000 1.221 195 Y HN 0.089 nan 8.280 nan 0.000 0.460 196 S N 1.523 117.007 115.700 -0.361 0.000 2.655 196 S HA 0.320 4.790 4.470 -0.001 0.000 0.265 196 S C -2.112 172.165 174.600 -0.539 0.000 1.240 196 S CA -1.120 56.344 58.200 -1.226 0.000 0.986 196 S CB 1.411 64.066 63.200 -0.908 0.000 0.985 196 S HN 0.404 nan 8.310 nan 0.000 0.562 197 P HA -0.010 nan 4.420 nan 0.000 0.216 197 P C 1.735 178.981 177.300 -0.090 0.000 1.153 197 P CA 1.736 64.731 63.100 -0.175 0.000 0.858 197 P CB -0.512 31.138 31.700 -0.083 0.000 0.789 198 G N -0.393 108.352 108.800 -0.092 0.000 2.422 198 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 198 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 198 G C 1.480 176.335 174.900 -0.075 0.000 1.146 198 G CA 0.587 45.669 45.100 -0.029 0.000 0.769 198 G HN 0.327 nan 8.290 nan 0.000 0.547 199 Q N -0.531 119.197 119.800 -0.119 0.000 2.172 199 Q HA 0.033 4.373 4.340 -0.001 0.000 0.200 199 Q C 2.560 178.376 176.000 -0.308 0.000 0.964 199 Q CA 0.717 56.434 55.803 -0.143 0.000 0.855 199 Q CB -0.096 28.631 28.738 -0.019 0.000 0.918 199 Q HN 0.461 nan 8.270 nan 0.000 0.444 200 R N 0.506 120.880 120.500 -0.210 0.000 2.066 200 R HA -0.113 4.226 4.340 -0.001 0.000 0.232 200 R C 2.058 178.272 176.300 -0.144 0.000 1.131 200 R CA 1.158 57.133 56.100 -0.208 0.000 0.955 200 R CB -0.084 30.188 30.300 -0.046 0.000 0.851 200 R HN 0.092 nan 8.270 nan 0.000 0.432 201 V N 1.462 121.314 119.914 -0.103 0.000 2.343 201 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 201 V C 2.356 178.368 176.094 -0.136 0.000 1.051 201 V CA 2.196 64.437 62.300 -0.099 0.000 1.036 201 V CB -0.562 31.238 31.823 -0.037 0.000 0.654 201 V HN 0.497 nan 8.190 nan 0.000 0.451 202 E N -0.224 119.905 120.200 -0.118 0.000 2.051 202 E HA -0.282 4.068 4.350 -0.001 0.000 0.192 202 E C 2.119 178.636 176.600 -0.139 0.000 0.991 202 E CA 1.741 58.074 56.400 -0.113 0.000 0.799 202 E CB -0.237 29.415 29.700 -0.080 0.000 0.748 202 E HN 0.553 nan 8.360 nan 0.000 0.449 203 F N 1.169 120.912 119.950 -0.346 0.000 2.134 203 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 203 F C 1.876 177.550 175.800 -0.210 0.000 1.097 203 F CA 1.276 59.072 58.000 -0.339 0.000 1.264 203 F CB -0.184 38.436 39.000 -0.634 0.000 1.001 203 F HN 0.010 nan 8.300 nan 0.000 0.479 204 L N -0.766 120.308 121.223 -0.249 0.000 2.046 204 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 204 L C 2.372 179.075 176.870 -0.279 0.000 1.077 204 L CA 1.013 55.689 54.840 -0.273 0.000 0.747 204 L CB -0.819 41.138 42.059 -0.170 0.000 0.896 204 L HN 0.022 nan 8.230 nan 0.000 0.432 205 V N -0.006 119.729 119.914 -0.298 0.000 2.270 205 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 205 V C 2.204 178.182 176.094 -0.193 0.000 1.043 205 V CA 1.834 63.942 62.300 -0.319 0.000 1.014 205 V CB -0.641 30.907 31.823 -0.458 0.000 0.645 205 V HN 0.480 nan 8.190 nan 0.000 0.447 206 N N 0.087 118.661 118.700 -0.209 0.000 2.166 206 N HA -0.137 4.603 4.740 -0.001 0.000 0.186 206 N C 1.888 177.282 175.510 -0.194 0.000 1.019 206 N CA 1.904 54.855 53.050 -0.163 0.000 0.856 206 N CB -0.651 37.752 38.487 -0.140 0.000 0.993 206 N HN 0.462 nan 8.380 nan 0.000 0.426 207 T N 0.598 114.947 114.554 -0.342 0.000 2.708 207 T HA -0.152 4.198 4.350 -0.001 0.000 0.266 207 T C 1.478 176.092 174.700 -0.143 0.000 1.037 207 T CA 0.738 62.631 62.100 -0.345 0.000 1.146 207 T CB -0.304 68.210 68.868 -0.591 0.000 0.865 207 T HN 0.442 nan 8.240 nan 0.000 0.435 208 W N 2.336 123.471 121.300 -0.274 0.000 2.350 208 W HA -0.082 4.577 4.660 -0.001 0.000 0.289 208 W C 1.669 178.100 176.519 -0.146 0.000 1.215 208 W CA 1.136 58.365 57.345 -0.194 0.000 1.236 208 W CB -0.150 29.188 29.460 -0.203 0.000 1.130 208 W HN 0.285 nan 8.180 nan 0.000 0.541 209 K N -0.179 120.235 120.400 0.023 0.000 2.305 209 K HA -0.040 4.279 4.320 -0.001 0.000 0.199 209 K C 2.088 178.635 176.600 -0.088 0.000 1.047 209 K CA 1.045 57.316 56.287 -0.027 0.000 0.976 209 K CB -0.172 32.328 32.500 -0.000 0.000 0.765 209 K HN -0.132 nan 8.250 nan 0.000 0.474 210 S N 0.992 116.629 115.700 -0.105 0.000 2.469 210 S HA -0.024 4.446 4.470 -0.001 0.000 0.238 210 S C 0.427 174.956 174.600 -0.118 0.000 0.998 210 S CA 1.078 59.219 58.200 -0.099 0.000 0.957 210 S CB 0.066 63.206 63.200 -0.101 0.000 0.764 210 S HN 0.149 nan 8.310 nan 0.000 0.514 211 K N 1.791 122.084 120.400 -0.178 0.000 2.172 211 K HA 0.308 4.628 4.320 -0.001 0.000 0.276 211 K C 0.598 177.087 176.600 -0.186 0.000 1.013 211 K CA -0.297 55.870 56.287 -0.201 0.000 0.913 211 K CB 0.955 33.274 32.500 -0.302 0.000 1.055 211 K HN 0.072 nan 8.250 nan 0.000 0.461 212 K N 1.086 121.406 120.400 -0.134 0.000 2.026 212 K HA -0.061 4.258 4.320 -0.001 0.000 0.208 212 K C 0.272 176.798 176.600 -0.124 0.000 1.048 212 K CA 1.140 57.365 56.287 -0.103 0.000 0.929 212 K CB 0.137 32.593 32.500 -0.072 0.000 0.713 212 K HN 0.410 nan 8.250 nan 0.000 0.439 213 N N 1.174 119.788 118.700 -0.143 0.000 2.790 213 N HA 0.190 4.930 4.740 -0.001 0.000 0.256 213 N C -2.822 172.555 175.510 -0.222 0.000 1.409 213 N CA -1.138 51.828 53.050 -0.140 0.000 0.799 213 N CB 1.473 39.917 38.487 -0.072 0.000 1.170 213 N HN 0.060 nan 8.380 nan 0.000 0.507 214 P HA 0.045 nan 4.420 nan 0.000 0.267 214 P C -0.200 176.700 177.300 -0.666 0.000 1.200 214 P CA -0.052 62.583 63.100 -0.775 0.000 0.772 214 P CB 1.143 31.875 31.700 -1.614 0.000 0.855 215 M N 1.700 120.971 119.600 -0.548 0.000 2.413 215 M HA 0.606 5.086 4.480 -0.001 0.000 0.287 215 M C -1.399 174.817 176.300 -0.140 0.000 1.186 215 M CA -0.225 54.857 55.300 -0.364 0.000 0.927 215 M CB 2.291 34.751 32.600 -0.234 0.000 1.715 215 M HN 0.628 nan 8.290 nan 0.000 0.478 216 G N 3.329 112.155 108.800 0.043 0.000 2.695 216 G HA2 0.860 4.820 3.960 -0.001 0.000 0.290 216 G HA3 0.860 4.820 3.960 -0.001 0.000 0.290 216 G C -2.049 172.977 174.900 0.210 0.000 1.410 216 G CA -0.605 44.592 45.100 0.162 0.000 0.844 216 G HN 0.908 nan 8.290 nan 0.000 0.478 217 F N -0.848 119.070 119.950 -0.053 0.000 2.719 217 F HA 0.807 5.334 4.527 -0.000 0.000 0.309 217 F C -0.380 175.413 175.800 -0.011 0.000 1.138 217 F CA -1.384 56.588 58.000 -0.047 0.000 0.943 217 F CB 1.235 40.194 39.000 -0.069 0.000 1.304 217 F HN 0.721 nan 8.300 nan 0.000 0.445 218 S N 0.840 116.577 115.700 0.062 0.000 2.549 218 S HA 0.693 5.162 4.470 -0.001 0.000 0.297 218 S C -1.672 173.061 174.600 0.222 0.000 1.115 218 S CA -0.598 57.606 58.200 0.006 0.000 1.059 218 S CB 1.771 64.985 63.200 0.024 0.000 1.046 218 S HN 0.930 nan 8.310 nan 0.000 0.506 219 Y N 1.472 121.828 120.300 0.092 0.000 2.332 219 Y HA 0.440 4.989 4.550 -0.001 0.000 0.326 219 Y C -1.092 174.922 175.900 0.189 0.000 0.978 219 Y CA -0.756 57.493 58.100 0.249 0.000 1.205 219 Y CB 1.322 40.029 38.460 0.411 0.000 1.131 219 Y HN 0.896 nan 8.280 nan 0.000 0.462 220 D N 4.339 124.611 120.400 -0.212 0.000 2.373 220 D HA 0.246 4.886 4.640 -0.001 0.000 0.227 220 D C -0.732 175.479 176.300 -0.148 0.000 1.091 220 D CA -0.091 53.859 54.000 -0.085 0.000 0.840 220 D CB 1.112 41.879 40.800 -0.055 0.000 1.060 220 D HN 0.439 nan 8.370 nan 0.000 0.502 221 T N 3.846 118.490 114.554 0.148 0.000 2.869 221 T HA 0.140 4.490 4.350 -0.001 0.000 0.295 221 T C 0.355 175.168 174.700 0.188 0.000 0.987 221 T CA -0.566 61.690 62.100 0.261 0.000 1.109 221 T CB 0.829 70.043 68.868 0.576 0.000 0.932 221 T HN 0.284 nan 8.240 nan 0.000 0.518 222 R N 2.496 123.066 120.500 0.116 0.000 2.345 222 R HA 0.079 4.418 4.340 -0.001 0.000 0.331 222 R C 0.190 176.590 176.300 0.167 0.000 1.067 222 R CA -0.053 56.099 56.100 0.086 0.000 0.962 222 R CB -1.082 29.215 30.300 -0.005 0.000 0.987 222 R HN 0.976 nan 8.270 nan 0.000 0.451 223 C N 6.418 125.845 119.300 0.212 0.000 3.896 223 C HA -0.198 4.262 4.460 -0.001 0.000 0.300 223 C C 1.342 176.544 174.990 0.353 0.000 1.322 223 C CA 0.149 59.341 59.018 0.289 0.000 2.130 223 C CB -2.520 25.427 27.740 0.346 0.000 1.363 223 C HN 1.023 nan 8.230 nan 0.000 0.642 224 F N 1.802 121.872 119.950 0.199 0.000 2.085 224 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 224 F C 1.796 177.712 175.800 0.195 0.000 1.096 224 F CA 2.701 60.820 58.000 0.198 0.000 1.227 224 F CB -0.166 38.937 39.000 0.173 0.000 0.983 224 F HN 0.592 nan 8.300 nan 0.000 0.482 225 D N -0.430 120.248 120.400 0.463 0.000 2.116 225 D HA -0.184 4.456 4.640 -0.001 0.000 0.193 225 D C 2.441 178.849 176.300 0.180 0.000 0.998 225 D CA 1.840 56.037 54.000 0.328 0.000 0.836 225 D CB -0.532 40.448 40.800 0.299 0.000 0.951 225 D HN 0.252 nan 8.370 nan 0.000 0.449 226 S N -0.833 114.993 115.700 0.210 0.000 2.481 226 S HA -0.100 4.370 4.470 -0.001 0.000 0.231 226 S C 1.963 176.571 174.600 0.014 0.000 0.996 226 S CA 1.318 59.560 58.200 0.070 0.000 0.942 226 S CB -0.236 63.023 63.200 0.097 0.000 0.768 226 S HN 0.531 nan 8.310 nan 0.000 0.520 227 T N -0.553 114.072 114.554 0.119 0.000 3.088 227 T HA 0.137 4.486 4.350 -0.001 0.000 0.259 227 T C 0.584 175.232 174.700 -0.087 0.000 1.122 227 T CA -0.016 62.128 62.100 0.073 0.000 1.095 227 T CB -0.391 68.466 68.868 -0.018 0.000 0.930 227 T HN 0.038 nan 8.240 nan 0.000 0.508 228 V N 4.159 124.000 119.914 -0.122 0.000 2.446 228 V HA 0.308 4.428 4.120 -0.001 0.000 0.276 228 V C 1.146 177.206 176.094 -0.057 0.000 1.030 228 V CA -0.223 62.022 62.300 -0.092 0.000 1.033 228 V CB -0.109 31.710 31.823 -0.006 0.000 0.993 228 V HN 0.714 nan 8.190 nan 0.000 0.477 229 T N 0.785 115.312 114.554 -0.045 0.000 2.912 229 T HA 0.306 4.655 4.350 -0.001 0.000 0.280 229 T C 1.063 175.753 174.700 -0.016 0.000 0.989 229 T CA -0.289 61.788 62.100 -0.038 0.000 0.995 229 T CB 1.521 70.360 68.868 -0.048 0.000 1.077 229 T HN 0.688 nan 8.240 nan 0.000 0.531 230 E N 0.563 120.759 120.200 -0.007 0.000 2.085 230 E HA -0.298 4.052 4.350 -0.001 0.000 0.194 230 E C 1.937 178.544 176.600 0.012 0.000 0.994 230 E CA 1.794 58.202 56.400 0.012 0.000 0.801 230 E CB -0.266 29.448 29.700 0.023 0.000 0.743 230 E HN 0.799 nan 8.360 nan 0.000 0.453 231 N N 0.508 119.206 118.700 -0.004 0.000 2.069 231 N HA -0.206 4.534 4.740 -0.001 0.000 0.191 231 N C 1.499 177.019 175.510 0.016 0.000 1.031 231 N CA 2.082 55.130 53.050 -0.004 0.000 0.852 231 N CB -0.101 38.364 38.487 -0.037 0.000 1.018 231 N HN 0.136 nan 8.380 nan 0.000 0.423 232 D N 0.175 120.584 120.400 0.015 0.000 2.104 232 D HA -0.127 4.512 4.640 -0.001 0.000 0.194 232 D C 1.962 178.275 176.300 0.022 0.000 0.994 232 D CA 1.073 55.094 54.000 0.035 0.000 0.830 232 D CB -0.275 40.542 40.800 0.027 0.000 0.959 232 D HN 0.471 nan 8.370 nan 0.000 0.452 233 I N 0.503 121.089 120.570 0.027 0.000 2.394 233 I HA -0.184 3.986 4.170 -0.001 0.000 0.251 233 I C 2.456 178.591 176.117 0.029 0.000 1.136 233 I CA 0.829 62.153 61.300 0.041 0.000 1.425 233 I CB -0.062 37.984 38.000 0.077 0.000 1.079 233 I HN -0.101 nan 8.210 nan 0.000 0.425 234 R N 0.020 120.534 120.500 0.024 0.000 2.090 234 R HA -0.055 4.285 4.340 -0.001 0.000 0.228 234 R C 2.337 178.624 176.300 -0.023 0.000 1.110 234 R CA 0.896 57.005 56.100 0.016 0.000 0.973 234 R CB -0.300 30.011 30.300 0.019 0.000 0.869 234 R HN 0.180 nan 8.270 nan 0.000 0.440 235 V N 1.408 121.308 119.914 -0.023 0.000 2.407 235 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 235 V C 1.910 177.912 176.094 -0.152 0.000 1.055 235 V CA 1.800 64.069 62.300 -0.051 0.000 1.049 235 V CB -0.368 31.457 31.823 0.004 0.000 0.662 235 V HN 0.336 nan 8.190 nan 0.000 0.455 236 E N -0.372 119.713 120.200 -0.192 0.000 2.085 236 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 236 E C 2.341 178.485 176.600 -0.760 0.000 0.994 236 E CA 1.427 57.560 56.400 -0.446 0.000 0.801 236 E CB -0.132 29.373 29.700 -0.324 0.000 0.743 236 E HN 0.617 nan 8.360 nan 0.000 0.453 237 E N 0.375 120.378 120.200 -0.329 0.000 2.106 237 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 237 E C 2.121 178.663 176.600 -0.096 0.000 0.984 237 E CA 1.329 57.666 56.400 -0.106 0.000 0.806 237 E CB 0.044 29.801 29.700 0.095 0.000 0.750 237 E HN 0.224 nan 8.360 nan 0.000 0.458 238 S N 0.477 116.112 115.700 -0.109 0.000 2.399 238 S HA -0.151 4.319 4.470 -0.001 0.000 0.231 238 S C 2.062 176.609 174.600 -0.089 0.000 1.022 238 S CA 0.977 59.138 58.200 -0.066 0.000 0.983 238 S CB -0.542 62.624 63.200 -0.055 0.000 0.803 238 S HN 0.291 nan 8.310 nan 0.000 0.480 239 I N 0.121 120.576 120.570 -0.191 0.000 2.202 239 I HA -0.136 4.033 4.170 -0.001 0.000 0.242 239 I C 2.368 178.452 176.117 -0.055 0.000 1.091 239 I CA 1.409 62.609 61.300 -0.168 0.000 1.368 239 I CB -0.603 37.242 38.000 -0.259 0.000 1.058 239 I HN 0.234 nan 8.210 nan 0.000 0.410 240 Y N 1.128 121.417 120.300 -0.019 0.000 2.165 240 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 240 Y C 2.674 178.573 175.900 -0.001 0.000 1.155 240 Y CA 0.728 58.821 58.100 -0.011 0.000 1.164 240 Y CB -1.076 37.390 38.460 0.010 0.000 0.978 240 Y HN 0.234 nan 8.280 nan 0.000 0.513 241 Q N -1.199 118.693 119.800 0.152 0.000 2.437 241 Q HA -0.120 4.220 4.340 -0.001 0.000 0.210 241 Q C 2.289 178.320 176.000 0.051 0.000 0.972 241 Q CA 0.891 56.748 55.803 0.090 0.000 0.903 241 Q CB -0.781 27.995 28.738 0.063 0.000 0.967 241 Q HN 0.522 nan 8.270 nan 0.000 0.486 242 C N 0.035 119.357 119.300 0.036 0.000 2.448 242 C HA -0.008 4.452 4.460 -0.001 0.000 0.280 242 C C 1.609 176.612 174.990 0.021 0.000 1.398 242 C CA -0.725 58.303 59.018 0.016 0.000 1.774 242 C CB -0.613 27.125 27.740 -0.004 0.000 1.888 242 C HN 0.413 nan 8.230 nan 0.000 0.519 243 C N 1.677 121.000 119.300 0.037 0.000 2.745 243 C HA 0.105 4.565 4.460 -0.001 0.000 0.387 243 C C 0.586 175.592 174.990 0.028 0.000 1.312 243 C CA -0.114 58.922 59.018 0.030 0.000 2.204 243 C CB -0.203 27.561 27.740 0.039 0.000 2.686 243 C HN 0.496 nan 8.230 nan 0.000 0.705 244 D N 1.541 121.953 120.400 0.020 0.000 2.365 244 D HA 0.473 5.113 4.640 -0.001 0.000 0.237 244 D C -0.686 175.630 176.300 0.027 0.000 1.190 244 D CA 0.288 54.300 54.000 0.020 0.000 0.867 244 D CB -0.032 40.777 40.800 0.014 0.000 1.050 244 D HN 0.377 nan 8.370 nan 0.000 0.491 245 L N 1.885 123.128 121.223 0.034 0.000 2.333 245 L HA 0.660 5.000 4.340 -0.001 0.000 0.263 245 L C 0.348 177.245 176.870 0.044 0.000 1.014 245 L CA -1.404 53.462 54.840 0.042 0.000 0.820 245 L CB 1.838 43.929 42.059 0.052 0.000 1.352 245 L HN 0.297 nan 8.230 nan 0.000 0.421 246 A N 1.638 124.490 122.820 0.053 0.000 2.425 246 A HA 0.383 4.703 4.320 -0.001 0.000 0.249 246 A C -1.827 175.793 177.584 0.061 0.000 1.084 246 A CA -0.943 51.127 52.037 0.056 0.000 0.781 246 A CB -0.023 19.016 19.000 0.067 0.000 1.019 246 A HN 0.628 nan 8.150 nan 0.000 0.490 247 P HA -0.220 nan 4.420 nan 0.000 0.217 247 P C 1.326 178.656 177.300 0.050 0.000 1.151 247 P CA 1.776 64.901 63.100 0.042 0.000 0.849 247 P CB 0.233 31.953 31.700 0.033 0.000 0.787 248 E N -0.541 119.708 120.200 0.080 0.000 2.110 248 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 248 E C 1.874 178.552 176.600 0.129 0.000 0.988 248 E CA 1.192 57.661 56.400 0.115 0.000 0.804 248 E CB -0.453 29.370 29.700 0.205 0.000 0.745 248 E HN 0.104 nan 8.360 nan 0.000 0.458 249 A N 1.127 124.037 122.820 0.151 0.000 1.897 249 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 249 A C 2.138 179.769 177.584 0.078 0.000 1.181 249 A CA 1.167 53.299 52.037 0.158 0.000 0.620 249 A CB -0.355 18.729 19.000 0.140 0.000 0.821 249 A HN 0.161 nan 8.150 nan 0.000 0.443 250 R N -0.960 119.574 120.500 0.057 0.000 2.091 250 R HA -0.195 4.145 4.340 -0.001 0.000 0.238 250 R C 2.488 178.793 176.300 0.008 0.000 1.136 250 R CA 1.746 57.870 56.100 0.041 0.000 0.959 250 R CB -0.279 30.043 30.300 0.035 0.000 0.856 250 R HN 0.648 nan 8.270 nan 0.000 0.437 251 Q N 0.667 120.453 119.800 -0.022 0.000 2.084 251 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 251 Q C 1.940 177.857 176.000 -0.138 0.000 0.978 251 Q CA 2.001 57.760 55.803 -0.074 0.000 0.844 251 Q CB -0.211 28.472 28.738 -0.091 0.000 0.898 251 Q HN 0.337 nan 8.270 nan 0.000 0.426 252 A N 0.069 122.771 122.820 -0.196 0.000 1.933 252 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 252 A C 2.108 179.609 177.584 -0.139 0.000 1.175 252 A CA 1.440 53.285 52.037 -0.320 0.000 0.628 252 A CB -0.675 18.020 19.000 -0.509 0.000 0.814 252 A HN 0.487 nan 8.150 nan 0.000 0.444 253 I N -0.530 120.026 120.570 -0.024 0.000 2.252 253 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 253 I C 2.526 178.680 176.117 0.062 0.000 1.102 253 I CA 1.709 63.047 61.300 0.062 0.000 1.385 253 I CB -0.227 37.836 38.000 0.106 0.000 1.064 253 I HN 0.396 nan 8.210 nan 0.000 0.414 254 K N 0.688 121.101 120.400 0.022 0.000 2.026 254 K HA -0.222 4.097 4.320 -0.001 0.000 0.208 254 K C 2.359 178.941 176.600 -0.030 0.000 1.048 254 K CA 1.963 58.260 56.287 0.016 0.000 0.929 254 K CB -0.154 32.343 32.500 -0.004 0.000 0.713 254 K HN 0.116 nan 8.250 nan 0.000 0.439 255 S N 0.800 116.448 115.700 -0.086 0.000 2.359 255 S HA -0.104 4.365 4.470 -0.001 0.000 0.224 255 S C 2.009 176.511 174.600 -0.164 0.000 1.035 255 S CA 1.226 59.350 58.200 -0.127 0.000 1.018 255 S CB -0.291 62.800 63.200 -0.181 0.000 0.876 255 S HN 0.378 nan 8.310 nan 0.000 0.448 256 L N 0.654 121.751 121.223 -0.209 0.000 2.127 256 L HA -0.114 4.226 4.340 -0.001 0.000 0.211 256 L C 2.718 179.268 176.870 -0.533 0.000 1.089 256 L CA 1.517 56.108 54.840 -0.415 0.000 0.757 256 L CB -0.907 40.893 42.059 -0.431 0.000 0.899 256 L HN 0.368 nan 8.230 nan 0.000 0.434 257 T N -1.090 113.373 114.554 -0.152 0.000 2.701 257 T HA -0.136 4.213 4.350 -0.001 0.000 0.263 257 T C 1.789 176.494 174.700 0.007 0.000 1.040 257 T CA 1.073 63.219 62.100 0.077 0.000 1.147 257 T CB -0.057 68.932 68.868 0.201 0.000 0.865 257 T HN 0.287 nan 8.240 nan 0.000 0.426 258 E N 1.335 121.522 120.200 -0.022 0.000 2.051 258 E HA -0.067 4.283 4.350 -0.001 0.000 0.192 258 E C 2.386 178.965 176.600 -0.036 0.000 0.991 258 E CA 1.083 57.473 56.400 -0.017 0.000 0.799 258 E CB -0.192 29.495 29.700 -0.022 0.000 0.748 258 E HN 0.479 nan 8.360 nan 0.000 0.449 259 R N -0.362 120.087 120.500 -0.084 0.000 2.200 259 R HA 0.065 4.405 4.340 -0.001 0.000 0.208 259 R C 1.983 178.217 176.300 -0.109 0.000 1.033 259 R CA 0.502 56.551 56.100 -0.084 0.000 1.000 259 R CB 0.146 30.388 30.300 -0.098 0.000 0.906 259 R HN 0.065 nan 8.270 nan 0.000 0.462 260 L N -2.221 118.890 121.223 -0.187 0.000 2.664 260 L HA 0.177 4.517 4.340 -0.001 0.000 0.198 260 L C 1.339 178.186 176.870 -0.039 0.000 1.057 260 L CA 0.594 55.328 54.840 -0.177 0.000 0.871 260 L CB -0.202 41.677 42.059 -0.300 0.000 1.364 260 L HN -0.149 nan 8.230 nan 0.000 0.483 261 Y N 0.593 120.908 120.300 0.025 0.000 2.181 261 Y HA -0.110 4.440 4.550 -0.001 0.000 0.288 261 Y C 2.574 178.483 175.900 0.015 0.000 1.146 261 Y CA 1.535 59.659 58.100 0.039 0.000 1.164 261 Y CB -0.965 37.542 38.460 0.079 0.000 0.982 261 Y HN 0.132 nan 8.280 nan 0.000 0.515 262 I N -1.068 119.594 120.570 0.153 0.000 2.493 262 I HA -0.035 4.134 4.170 -0.001 0.000 0.254 262 I C 1.209 177.338 176.117 0.019 0.000 1.160 262 I CA 1.247 62.594 61.300 0.079 0.000 1.445 262 I CB -0.448 37.590 38.000 0.063 0.000 1.086 262 I HN 0.319 nan 8.210 nan 0.000 0.433 263 G N -0.825 107.963 108.800 -0.020 0.000 2.324 263 G HA2 0.477 4.437 3.960 -0.001 0.000 0.293 263 G HA3 0.477 4.437 3.960 -0.001 0.000 0.293 263 G C -0.988 173.750 174.900 -0.270 0.000 1.297 263 G CA -0.124 44.892 45.100 -0.140 0.000 0.853 263 G HN 0.392 nan 8.290 nan 0.000 0.535 264 G N -0.970 107.380 108.800 -0.750 0.000 2.336 264 G HA2 0.670 4.630 3.960 -0.001 0.000 0.300 264 G HA3 0.670 4.630 3.960 -0.001 0.000 0.300 264 G C -3.469 170.737 174.900 -1.157 0.000 1.375 264 G CA 0.125 44.722 45.100 -0.837 0.000 0.885 264 G HN 0.799 nan 8.290 nan 0.000 0.599 265 P HA 0.444 nan 4.420 nan 0.000 0.275 265 P C -0.505 176.706 177.300 -0.148 0.000 1.228 265 P CA -0.153 62.832 63.100 -0.192 0.000 0.786 265 P CB 1.198 32.935 31.700 0.061 0.000 0.927 266 L N 2.314 123.499 121.223 -0.064 0.000 2.313 266 L HA 0.451 4.791 4.340 -0.001 0.000 0.283 266 L C 0.431 177.309 176.870 0.014 0.000 1.013 266 L CA -0.230 54.598 54.840 -0.019 0.000 0.816 266 L CB 1.573 43.663 42.059 0.050 0.000 1.236 266 L HN 0.278 nan 8.230 nan 0.000 0.419 267 T N 1.446 115.985 114.554 -0.025 0.000 2.812 267 T HA 0.315 4.664 4.350 -0.001 0.000 0.282 267 T C -0.162 174.520 174.700 -0.030 0.000 0.990 267 T CA -0.851 61.238 62.100 -0.019 0.000 0.960 267 T CB 1.427 70.270 68.868 -0.041 0.000 0.948 267 T HN 0.651 nan 8.240 nan 0.000 0.438 268 N N 0.956 119.656 118.700 0.001 0.000 2.327 268 N HA 0.099 4.838 4.740 -0.001 0.000 0.257 268 N C 1.496 176.998 175.510 -0.013 0.000 1.281 268 N CA -0.187 52.864 53.050 0.001 0.000 0.942 268 N CB 0.139 38.637 38.487 0.019 0.000 1.199 268 N HN 0.445 nan 8.380 nan 0.000 0.532 269 S N -1.196 114.505 115.700 0.001 0.000 2.442 269 S HA -0.138 4.332 4.470 -0.001 0.000 0.236 269 S C 1.065 175.663 174.600 -0.004 0.000 1.007 269 S CA 0.782 58.984 58.200 0.004 0.000 0.965 269 S CB -0.449 62.767 63.200 0.025 0.000 0.773 269 S HN 0.623 nan 8.310 nan 0.000 0.504 270 K N 0.521 120.920 120.400 -0.002 0.000 2.444 270 K HA 0.256 4.576 4.320 -0.001 0.000 0.193 270 K C 1.244 177.838 176.600 -0.010 0.000 1.024 270 K CA 0.390 56.675 56.287 -0.004 0.000 1.077 270 K CB -0.076 32.426 32.500 0.003 0.000 0.833 270 K HN 0.560 nan 8.250 nan 0.000 0.517 271 G N 1.671 110.462 108.800 -0.015 0.000 2.157 271 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.248 271 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.248 271 G C -0.256 174.642 174.900 -0.003 0.000 0.979 271 G CA -0.169 44.920 45.100 -0.018 0.000 0.650 271 G HN 0.332 nan 8.290 nan 0.000 0.529 272 Q N 0.148 119.952 119.800 0.007 0.000 2.235 272 Q HA 0.322 4.661 4.340 -0.001 0.000 0.250 272 Q C 0.427 176.447 176.000 0.032 0.000 0.909 272 Q CA -0.535 55.280 55.803 0.020 0.000 0.910 272 Q CB 1.017 29.770 28.738 0.025 0.000 1.223 272 Q HN 0.432 nan 8.270 nan 0.000 0.432 273 N N 1.710 120.435 118.700 0.042 0.000 2.452 273 N HA -0.014 4.725 4.740 -0.001 0.000 0.266 273 N C -0.139 175.425 175.510 0.090 0.000 1.209 273 N CA -0.372 52.714 53.050 0.059 0.000 0.929 273 N CB 0.534 39.057 38.487 0.061 0.000 1.063 273 N HN 0.597 nan 8.380 nan 0.000 0.472 274 C N 2.921 122.292 119.300 0.119 0.000 2.674 274 C HA 0.412 4.871 4.460 -0.001 0.000 0.276 274 C C 1.218 176.378 174.990 0.283 0.000 1.300 274 C CA 0.543 59.684 59.018 0.206 0.000 1.732 274 C CB -0.954 26.931 27.740 0.242 0.000 2.076 274 C HN 0.971 nan 8.230 nan 0.000 0.548 275 G N -1.556 107.341 108.800 0.161 0.000 2.398 275 G HA2 0.315 4.275 3.960 -0.001 0.000 0.251 275 G HA3 0.315 4.275 3.960 -0.001 0.000 0.251 275 G C -2.180 172.750 174.900 0.050 0.000 1.277 275 G CA -0.369 44.773 45.100 0.069 0.000 0.927 275 G HN 0.009 nan 8.290 nan 0.000 0.477 276 Y N 0.611 120.778 120.300 -0.222 0.000 2.492 276 Y HA 0.761 5.311 4.550 -0.001 0.000 0.346 276 Y C 0.033 175.796 175.900 -0.227 0.000 0.997 276 Y CA -0.852 57.146 58.100 -0.170 0.000 1.025 276 Y CB 2.050 40.429 38.460 -0.134 0.000 1.263 276 Y HN 0.713 nan 8.280 nan 0.000 0.454 277 R N 4.459 124.692 120.500 -0.445 0.000 2.532 277 R HA 0.583 4.923 4.340 -0.001 0.000 0.295 277 R C -0.687 175.409 176.300 -0.341 0.000 0.968 277 R CA -0.557 55.285 56.100 -0.431 0.000 0.916 277 R CB 1.004 31.108 30.300 -0.327 0.000 1.124 277 R HN 0.919 nan 8.270 nan 0.000 0.463 278 R N 3.002 123.291 120.500 -0.351 0.000 2.615 278 R HA 0.202 4.542 4.340 -0.001 0.000 0.448 278 R C -0.571 175.599 176.300 -0.216 0.000 1.009 278 R CA -0.251 55.745 56.100 -0.174 0.000 1.111 278 R CB 0.552 30.810 30.300 -0.070 0.000 1.461 278 R HN 0.809 nan 8.270 nan 0.000 0.587 279 C N -1.627 117.484 119.300 -0.314 0.000 3.301 279 C HA 0.631 5.091 4.460 -0.001 0.000 0.367 279 C C -0.051 174.874 174.990 -0.108 0.000 1.980 279 C CA -1.442 57.445 59.018 -0.219 0.000 1.349 279 C CB 1.141 28.693 27.740 -0.313 0.000 2.412 279 C HN 0.306 nan 8.230 nan 0.000 0.451 280 R N 1.163 121.656 120.500 -0.011 0.000 2.522 280 R HA 0.485 4.824 4.340 -0.001 0.000 0.284 280 R C -0.027 176.333 176.300 0.101 0.000 1.032 280 R CA 0.896 57.042 56.100 0.075 0.000 1.049 280 R CB -0.092 30.297 30.300 0.148 0.000 0.956 280 R HN 1.140 nan 8.270 nan 0.000 0.422 281 A N 3.408 126.300 122.820 0.120 0.000 2.328 281 A HA 0.263 4.583 4.320 -0.001 0.000 0.284 281 A C 0.907 178.592 177.584 0.170 0.000 1.160 281 A CA 0.001 52.129 52.037 0.150 0.000 0.818 281 A CB 0.661 19.755 19.000 0.156 0.000 1.087 281 A HN 1.006 nan 8.150 nan 0.000 0.504 282 S N 1.942 117.756 115.700 0.191 0.000 2.522 282 S HA 0.086 4.555 4.470 -0.001 0.000 0.227 282 S C 1.067 175.770 174.600 0.172 0.000 0.986 282 S CA 0.758 59.066 58.200 0.179 0.000 0.929 282 S CB 0.038 63.350 63.200 0.187 0.000 0.769 282 S HN 1.234 nan 8.310 nan 0.000 0.529 283 G N 1.846 110.772 108.800 0.209 0.000 4.291 283 G HA2 0.517 4.476 3.960 -0.001 0.000 0.304 283 G HA3 0.517 4.476 3.960 -0.001 0.000 0.304 283 G C -0.145 174.888 174.900 0.221 0.000 1.264 283 G CA -0.052 45.181 45.100 0.222 0.000 1.039 283 G HN 0.631 nan 8.290 nan 0.000 0.578 284 V N -2.527 117.498 119.914 0.185 0.000 2.960 284 V HA 0.580 4.699 4.120 -0.001 0.000 0.315 284 V C 1.335 177.510 176.094 0.136 0.000 1.087 284 V CA -0.974 61.449 62.300 0.205 0.000 0.982 284 V CB 1.789 33.788 31.823 0.294 0.000 1.039 284 V HN 0.068 nan 8.190 nan 0.000 0.437 285 L N 2.724 124.038 121.223 0.152 0.000 2.079 285 L HA -0.064 4.275 4.340 -0.001 0.000 0.210 285 L C 2.371 179.259 176.870 0.030 0.000 1.081 285 L CA 3.108 58.020 54.840 0.120 0.000 0.752 285 L CB -0.677 41.476 42.059 0.157 0.000 0.896 285 L HN 1.090 nan 8.230 nan 0.000 0.433 286 T N -5.702 108.791 114.554 -0.101 0.000 3.148 286 T HA -0.029 4.321 4.350 -0.001 0.000 0.253 286 T C 1.610 176.250 174.700 -0.101 0.000 1.134 286 T CA 0.821 62.805 62.100 -0.193 0.000 1.051 286 T CB -0.781 67.792 68.868 -0.491 0.000 0.959 286 T HN 0.295 nan 8.240 nan 0.000 0.525 287 T N 2.041 116.573 114.554 -0.037 0.000 2.635 287 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 287 T C 2.220 176.936 174.700 0.028 0.000 1.040 287 T CA 1.823 63.936 62.100 0.023 0.000 1.156 287 T CB -0.655 68.252 68.868 0.066 0.000 0.863 287 T HN 0.561 nan 8.240 nan 0.000 0.430 288 S N -0.267 115.426 115.700 -0.012 0.000 2.345 288 S HA -0.148 4.321 4.470 -0.001 0.000 0.220 288 S C 2.461 177.073 174.600 0.020 0.000 1.031 288 S CA 1.464 59.644 58.200 -0.033 0.000 0.996 288 S CB -0.962 62.109 63.200 -0.215 0.000 0.882 288 S HN 0.677 nan 8.310 nan 0.000 0.445 289 C N 1.342 120.628 119.300 -0.023 0.000 2.429 289 C HA 0.106 4.566 4.460 -0.001 0.000 0.277 289 C C 2.818 177.846 174.990 0.063 0.000 1.262 289 C CA 1.107 60.130 59.018 0.007 0.000 1.733 289 C CB -1.837 25.878 27.740 -0.042 0.000 2.010 289 C HN 0.714 nan 8.230 nan 0.000 0.483 290 G N 0.614 109.460 108.800 0.077 0.000 2.433 290 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.216 290 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.216 290 G C 1.515 176.492 174.900 0.128 0.000 1.186 290 G CA 1.108 46.265 45.100 0.096 0.000 0.779 290 G HN 0.594 nan 8.290 nan 0.000 0.543 291 N N 0.422 119.202 118.700 0.134 0.000 2.120 291 N HA -0.083 4.657 4.740 -0.001 0.000 0.188 291 N C 2.393 177.947 175.510 0.075 0.000 1.024 291 N CA 1.606 54.744 53.050 0.146 0.000 0.852 291 N CB -0.780 37.676 38.487 -0.053 0.000 1.003 291 N HN 0.249 nan 8.380 nan 0.000 0.424 292 T N 1.897 116.500 114.554 0.082 0.000 2.708 292 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 292 T C 2.142 176.917 174.700 0.124 0.000 1.037 292 T CA 0.724 62.892 62.100 0.114 0.000 1.146 292 T CB -0.293 68.705 68.868 0.215 0.000 0.865 292 T HN 0.133 nan 8.240 nan 0.000 0.435 293 L N 0.567 121.837 121.223 0.078 0.000 2.017 293 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 293 L C 2.968 179.918 176.870 0.133 0.000 1.073 293 L CA 1.324 56.194 54.840 0.049 0.000 0.745 293 L CB -1.057 40.985 42.059 -0.029 0.000 0.894 293 L HN 0.287 nan 8.230 nan 0.000 0.432 294 T N -1.249 113.404 114.554 0.165 0.000 2.777 294 T HA -0.237 4.112 4.350 -0.001 0.000 0.266 294 T C 2.013 176.892 174.700 0.299 0.000 1.040 294 T CA 1.480 63.707 62.100 0.212 0.000 1.141 294 T CB -0.465 68.560 68.868 0.261 0.000 0.868 294 T HN 0.483 nan 8.240 nan 0.000 0.444 295 C N 0.719 120.260 119.300 0.402 0.000 2.429 295 C HA -0.090 4.370 4.460 -0.001 0.000 0.277 295 C C 2.406 177.551 174.990 0.258 0.000 1.262 295 C CA 0.563 59.818 59.018 0.396 0.000 1.733 295 C CB -1.436 26.440 27.740 0.227 0.000 2.010 295 C HN 0.649 nan 8.230 nan 0.000 0.483 296 Y N 1.128 121.487 120.300 0.099 0.000 2.224 296 Y HA -0.075 4.474 4.550 -0.000 0.000 0.289 296 Y C 2.130 178.045 175.900 0.025 0.000 1.146 296 Y CA 2.025 60.160 58.100 0.058 0.000 1.182 296 Y CB -0.575 37.903 38.460 0.030 0.000 0.983 296 Y HN 0.350 nan 8.280 nan 0.000 0.524 297 L N 1.031 122.356 121.223 0.170 0.000 2.017 297 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 297 L C 2.083 178.879 176.870 -0.124 0.000 1.073 297 L CA 1.944 56.769 54.840 -0.025 0.000 0.745 297 L CB -0.898 41.110 42.059 -0.086 0.000 0.894 297 L HN 0.133 nan 8.230 nan 0.000 0.432 298 K N -0.325 120.061 120.400 -0.023 0.000 2.026 298 K HA -0.068 4.252 4.320 -0.001 0.000 0.208 298 K C 2.093 178.701 176.600 0.013 0.000 1.048 298 K CA 1.351 57.631 56.287 -0.011 0.000 0.929 298 K CB -0.443 32.130 32.500 0.122 0.000 0.713 298 K HN 0.482 nan 8.250 nan 0.000 0.439 299 A N 1.238 124.062 122.820 0.006 0.000 1.898 299 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 299 A C 2.257 179.870 177.584 0.048 0.000 1.181 299 A CA 1.777 53.846 52.037 0.053 0.000 0.620 299 A CB -0.534 18.567 19.000 0.169 0.000 0.819 299 A HN 0.167 nan 8.150 nan 0.000 0.442 300 S N -0.008 115.601 115.700 -0.152 0.000 2.348 300 S HA -0.085 4.384 4.470 -0.001 0.000 0.221 300 S C 2.352 176.909 174.600 -0.072 0.000 1.033 300 S CA 1.326 59.404 58.200 -0.202 0.000 1.010 300 S CB -0.560 62.384 63.200 -0.428 0.000 0.891 300 S HN 0.812 nan 8.310 nan 0.000 0.442 301 A N 1.580 124.366 122.820 -0.058 0.000 1.908 301 A HA 0.052 4.372 4.320 -0.001 0.000 0.218 301 A C 2.356 180.001 177.584 0.101 0.000 1.181 301 A CA 1.813 53.873 52.037 0.038 0.000 0.627 301 A CB -1.116 17.895 19.000 0.018 0.000 0.818 301 A HN 0.530 nan 8.150 nan 0.000 0.445 302 A N -1.162 121.735 122.820 0.129 0.000 1.933 302 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 302 A C 2.269 179.904 177.584 0.084 0.000 1.175 302 A CA 1.646 53.656 52.037 -0.046 0.000 0.628 302 A CB -1.242 17.392 19.000 -0.610 0.000 0.814 302 A HN 0.601 nan 8.150 nan 0.000 0.444 303 C N -0.887 118.557 119.300 0.240 0.000 2.425 303 C HA -0.072 4.388 4.460 -0.001 0.000 0.277 303 C C 2.897 177.906 174.990 0.032 0.000 1.280 303 C CA 1.087 60.254 59.018 0.249 0.000 1.744 303 C CB -1.271 26.567 27.740 0.163 0.000 1.989 303 C HN 0.611 nan 8.230 nan 0.000 0.491 304 R N 1.102 121.532 120.500 -0.117 0.000 2.073 304 R HA -0.029 4.310 4.340 -0.001 0.000 0.229 304 R C 2.430 178.466 176.300 -0.439 0.000 1.120 304 R CA 1.466 57.377 56.100 -0.314 0.000 0.967 304 R CB -0.566 29.438 30.300 -0.494 0.000 0.862 304 R HN 0.493 nan 8.270 nan 0.000 0.436 305 A N 1.434 123.985 122.820 -0.449 0.000 1.978 305 A HA -0.091 4.229 4.320 -0.001 0.000 0.220 305 A C 2.233 179.792 177.584 -0.042 0.000 1.170 305 A CA 1.745 53.679 52.037 -0.172 0.000 0.636 305 A CB -0.435 18.558 19.000 -0.011 0.000 0.810 305 A HN 0.395 nan 8.150 nan 0.000 0.448 306 A N -1.478 121.335 122.820 -0.010 0.000 2.218 306 A HA 0.277 4.596 4.320 -0.001 0.000 0.209 306 A C 0.983 178.579 177.584 0.020 0.000 1.168 306 A CA 0.754 52.814 52.037 0.038 0.000 0.804 306 A CB -0.333 18.746 19.000 0.132 0.000 0.834 306 A HN 0.484 nan 8.150 nan 0.000 0.482 307 K N -1.386 119.011 120.400 -0.005 0.000 3.125 307 K HA -0.157 4.163 4.320 -0.001 0.000 0.268 307 K C -1.080 175.522 176.600 0.002 0.000 1.078 307 K CA 0.217 56.502 56.287 -0.004 0.000 0.775 307 K CB -1.941 30.564 32.500 0.007 0.000 1.253 307 K HN 0.324 nan 8.250 nan 0.000 0.486 308 L N 1.775 123.005 121.223 0.011 0.000 2.380 308 L HA 0.079 4.419 4.340 -0.001 0.000 0.273 308 L C 0.976 177.844 176.870 -0.004 0.000 1.138 308 L CA 0.604 55.447 54.840 0.005 0.000 0.832 308 L CB 0.766 42.836 42.059 0.017 0.000 1.124 308 L HN 0.067 nan 8.230 nan 0.000 0.454 309 Q N 2.422 122.215 119.800 -0.012 0.000 2.267 309 Q HA 0.096 4.435 4.340 -0.001 0.000 0.255 309 Q C -0.219 175.766 176.000 -0.025 0.000 0.923 309 Q CA -0.393 55.400 55.803 -0.017 0.000 0.925 309 Q CB 0.783 29.509 28.738 -0.021 0.000 1.195 309 Q HN 0.507 nan 8.270 nan 0.000 0.417 310 D N 1.161 121.548 120.400 -0.021 0.000 2.904 310 D HA -0.182 4.457 4.640 -0.001 0.000 0.231 310 D C -1.159 175.123 176.300 -0.029 0.000 1.185 310 D CA 0.259 54.244 54.000 -0.026 0.000 0.783 310 D CB -0.785 39.991 40.800 -0.040 0.000 0.961 310 D HN 0.499 nan 8.370 nan 0.000 0.409 311 C N 2.121 121.412 119.300 -0.017 0.000 2.464 311 C HA 0.416 4.875 4.460 -0.001 0.000 0.370 311 C C 0.791 175.778 174.990 -0.005 0.000 1.267 311 C CA -0.177 58.830 59.018 -0.018 0.000 1.781 311 C CB 0.003 27.737 27.740 -0.010 0.000 2.431 311 C HN 0.413 nan 8.230 nan 0.000 0.556 312 T N 6.874 121.422 114.554 -0.010 0.000 2.779 312 T HA 0.522 4.872 4.350 -0.001 0.000 0.280 312 T C -0.119 174.608 174.700 0.045 0.000 0.987 312 T CA -0.263 61.861 62.100 0.040 0.000 0.966 312 T CB 0.829 69.701 68.868 0.008 0.000 0.933 312 T HN 0.534 nan 8.240 nan 0.000 0.442 313 M N 2.937 122.604 119.600 0.111 0.000 2.705 313 M HA 0.649 5.129 4.480 -0.001 0.000 0.311 313 M C -1.287 175.129 176.300 0.194 0.000 1.214 313 M CA -1.215 54.139 55.300 0.090 0.000 0.920 313 M CB 2.049 34.676 32.600 0.045 0.000 1.687 313 M HN 0.328 nan 8.290 nan 0.000 0.481 314 L N 2.063 123.359 121.223 0.122 0.000 2.446 314 L HA 0.606 4.946 4.340 -0.001 0.000 0.268 314 L C -1.519 175.358 176.870 0.011 0.000 0.975 314 L CA -0.433 54.471 54.840 0.107 0.000 0.848 314 L CB 1.656 43.800 42.059 0.142 0.000 1.225 314 L HN 0.483 nan 8.230 nan 0.000 0.410 315 V N 4.183 124.090 119.914 -0.011 0.000 2.555 315 V HA 0.620 4.740 4.120 -0.001 0.000 0.302 315 V C -0.634 175.302 176.094 -0.265 0.000 1.038 315 V CA -0.627 61.644 62.300 -0.049 0.000 0.887 315 V CB 2.013 33.901 31.823 0.109 0.000 0.991 315 V HN 0.787 nan 8.190 nan 0.000 0.434 316 N N 3.220 121.717 118.700 -0.338 0.000 2.648 316 N HA 0.591 5.330 4.740 -0.001 0.000 0.261 316 N C 0.492 175.887 175.510 -0.191 0.000 1.138 316 N CA 0.558 53.188 53.050 -0.701 0.000 0.804 316 N CB 1.682 39.638 38.487 -0.886 0.000 1.237 316 N HN 1.084 nan 8.380 nan 0.000 0.532 317 G N 2.232 111.082 108.800 0.083 0.000 2.629 317 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.313 317 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.313 317 G C 0.578 175.342 174.900 -0.227 0.000 1.217 317 G CA 0.780 45.901 45.100 0.035 0.000 0.994 317 G HN 0.602 nan 8.290 nan 0.000 0.549 318 D N 1.289 121.470 120.400 -0.366 0.000 2.349 318 D HA 0.076 4.716 4.640 -0.001 0.000 0.215 318 D C 0.014 176.187 176.300 -0.210 0.000 1.016 318 D CA 0.653 54.262 54.000 -0.650 0.000 0.870 318 D CB -0.156 40.235 40.800 -0.680 0.000 0.917 318 D HN 0.416 nan 8.370 nan 0.000 0.524 319 D N 1.107 121.441 120.400 -0.111 0.000 2.312 319 D HA 0.293 4.933 4.640 -0.001 0.000 0.252 319 D C -0.443 175.841 176.300 -0.027 0.000 1.150 319 D CA -0.330 53.647 54.000 -0.038 0.000 0.870 319 D CB 2.076 42.846 40.800 -0.050 0.000 1.153 319 D HN 0.123 nan 8.370 nan 0.000 0.457 320 L N 3.043 124.290 121.223 0.039 0.000 2.386 320 L HA 0.458 4.798 4.340 -0.001 0.000 0.271 320 L C -1.385 175.462 176.870 -0.038 0.000 0.993 320 L CA -0.672 54.190 54.840 0.036 0.000 0.819 320 L CB 2.135 44.280 42.059 0.144 0.000 1.294 320 L HN 0.080 nan 8.230 nan 0.000 0.414 321 V N 5.076 124.932 119.914 -0.097 0.000 2.588 321 V HA 0.664 4.784 4.120 -0.001 0.000 0.304 321 V C -0.807 175.127 176.094 -0.266 0.000 1.042 321 V CA -0.691 61.498 62.300 -0.184 0.000 0.877 321 V CB 1.941 33.708 31.823 -0.093 0.000 0.996 321 V HN 0.520 nan 8.190 nan 0.000 0.425 322 V N 6.013 125.605 119.914 -0.537 0.000 2.483 322 V HA 0.562 4.682 4.120 -0.001 0.000 0.297 322 V C -0.455 175.445 176.094 -0.323 0.000 1.027 322 V CA -0.351 61.637 62.300 -0.520 0.000 0.855 322 V CB 1.896 33.158 31.823 -0.935 0.000 0.995 322 V HN 0.716 nan 8.190 nan 0.000 0.424 323 I N 5.255 125.743 120.570 -0.136 0.000 2.436 323 I HA 0.713 4.882 4.170 -0.001 0.000 0.289 323 I C -0.080 175.988 176.117 -0.082 0.000 1.010 323 I CA -0.348 60.917 61.300 -0.058 0.000 1.098 323 I CB 1.729 39.727 38.000 -0.003 0.000 1.266 323 I HN 0.871 nan 8.210 nan 0.000 0.434 324 C N 2.500 121.742 119.300 -0.097 0.000 3.340 324 C HA 0.541 5.000 4.460 -0.001 0.000 0.333 324 C C -0.571 174.340 174.990 -0.133 0.000 1.464 324 C CA -0.937 58.025 59.018 -0.092 0.000 1.337 324 C CB 1.850 29.566 27.740 -0.040 0.000 1.740 324 C HN 0.621 nan 8.230 nan 0.000 0.450 325 E N 1.857 121.998 120.200 -0.099 0.000 2.257 325 E HA 0.238 4.588 4.350 -0.001 0.000 0.278 325 E C 0.064 176.626 176.600 -0.064 0.000 1.049 325 E CA 0.522 56.863 56.400 -0.099 0.000 0.876 325 E CB 1.533 31.190 29.700 -0.072 0.000 1.035 325 E HN 0.697 nan 8.360 nan 0.000 0.419 326 S N 2.107 117.774 115.700 -0.056 0.000 2.531 326 S HA 0.227 4.697 4.470 -0.001 0.000 0.279 326 S C 0.594 175.199 174.600 0.008 0.000 1.305 326 S CA -0.057 58.154 58.200 0.018 0.000 1.058 326 S CB 0.474 63.746 63.200 0.121 0.000 0.899 326 S HN 0.515 nan 8.310 nan 0.000 0.493 327 A N 3.957 126.786 122.820 0.015 0.000 2.460 327 A HA 0.638 4.957 4.320 -0.001 0.000 0.258 327 A C 0.926 178.514 177.584 0.006 0.000 1.300 327 A CA 0.185 52.223 52.037 0.002 0.000 0.913 327 A CB -0.934 18.065 19.000 -0.002 0.000 1.031 327 A HN 1.771 nan 8.150 nan 0.000 0.512 328 G N -2.008 106.804 108.800 0.020 0.000 2.525 328 G HA2 0.135 4.095 3.960 -0.001 0.000 0.685 328 G HA3 0.135 4.095 3.960 -0.001 0.000 0.685 328 G C 0.526 175.444 174.900 0.030 0.000 1.285 328 G CA -0.038 45.063 45.100 0.002 0.000 0.849 328 G HN 1.129 nan 8.290 nan 0.000 0.653 329 V N 0.914 120.818 119.914 -0.017 0.000 2.287 329 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 329 V C 2.490 178.610 176.094 0.044 0.000 1.053 329 V CA 3.087 65.396 62.300 0.016 0.000 1.027 329 V CB -0.304 31.463 31.823 -0.093 0.000 0.646 329 V HN 0.768 nan 8.190 nan 0.000 0.447 330 Q N -0.606 119.200 119.800 0.010 0.000 2.119 330 Q HA -0.143 4.197 4.340 -0.001 0.000 0.201 330 Q C 2.318 178.325 176.000 0.011 0.000 0.972 330 Q CA 1.619 57.428 55.803 0.009 0.000 0.847 330 Q CB -0.375 28.362 28.738 -0.002 0.000 0.903 330 Q HN 0.656 nan 8.270 nan 0.000 0.433 331 E N 0.775 120.982 120.200 0.011 0.000 2.107 331 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 331 E C 1.497 178.100 176.600 0.005 0.000 0.982 331 E CA 0.645 57.049 56.400 0.006 0.000 0.809 331 E CB 0.066 29.768 29.700 0.004 0.000 0.756 331 E HN 0.300 nan 8.360 nan 0.000 0.459 332 D N 0.526 120.943 120.400 0.027 0.000 2.097 332 D HA -0.124 4.515 4.640 -0.001 0.000 0.195 332 D C 1.810 178.090 176.300 -0.033 0.000 0.989 332 D CA 1.602 55.609 54.000 0.012 0.000 0.827 332 D CB -0.340 40.517 40.800 0.096 0.000 0.966 332 D HN 0.159 nan 8.370 nan 0.000 0.456 333 A N 0.890 123.709 122.820 -0.001 0.000 1.940 333 A HA -0.069 4.250 4.320 -0.001 0.000 0.219 333 A C 2.271 179.834 177.584 -0.035 0.000 1.176 333 A CA 2.302 54.326 52.037 -0.023 0.000 0.631 333 A CB -0.630 18.375 19.000 0.008 0.000 0.814 333 A HN 0.250 nan 8.150 nan 0.000 0.446 334 A N -0.813 121.994 122.820 -0.021 0.000 1.872 334 A HA -0.004 4.316 4.320 -0.001 0.000 0.214 334 A C 2.437 180.008 177.584 -0.022 0.000 1.187 334 A CA 1.844 53.871 52.037 -0.017 0.000 0.614 334 A CB -0.886 18.110 19.000 -0.008 0.000 0.826 334 A HN 0.432 nan 8.150 nan 0.000 0.442 335 S N -0.223 115.459 115.700 -0.030 0.000 2.370 335 S HA -0.130 4.340 4.470 -0.001 0.000 0.226 335 S C 1.857 176.431 174.600 -0.043 0.000 1.033 335 S CA 1.348 59.531 58.200 -0.028 0.000 1.011 335 S CB -0.462 62.717 63.200 -0.035 0.000 0.852 335 S HN 0.495 nan 8.310 nan 0.000 0.457 336 L N 1.021 122.165 121.223 -0.132 0.000 2.083 336 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 336 L C 2.598 179.447 176.870 -0.034 0.000 1.083 336 L CA 1.322 56.025 54.840 -0.229 0.000 0.752 336 L CB -0.201 41.624 42.059 -0.390 0.000 0.899 336 L HN 0.270 nan 8.230 nan 0.000 0.433 337 R N -0.724 119.764 120.500 -0.020 0.000 2.096 337 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 337 R C 2.273 178.591 176.300 0.030 0.000 1.127 337 R CA 1.234 57.343 56.100 0.015 0.000 0.968 337 R CB -0.383 29.917 30.300 -0.000 0.000 0.861 337 R HN 0.397 nan 8.270 nan 0.000 0.440 338 A N 0.600 123.436 122.820 0.026 0.000 1.930 338 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 338 A C 1.898 179.497 177.584 0.024 0.000 1.175 338 A CA 0.825 52.870 52.037 0.015 0.000 0.627 338 A CB -0.521 18.488 19.000 0.016 0.000 0.815 338 A HN 0.337 nan 8.150 nan 0.000 0.443 339 F N 1.472 121.372 119.950 -0.082 0.000 2.075 339 F HA -0.180 4.347 4.527 -0.001 0.000 0.297 339 F C 2.508 178.256 175.800 -0.086 0.000 1.113 339 F CA 2.444 60.394 58.000 -0.084 0.000 1.218 339 F CB -0.742 38.205 39.000 -0.089 0.000 0.984 339 F HN 0.209 nan 8.300 nan 0.000 0.472 340 T N 0.116 114.751 114.554 0.135 0.000 2.699 340 T HA -0.240 4.110 4.350 -0.001 0.000 0.268 340 T C 1.736 176.411 174.700 -0.041 0.000 1.036 340 T CA 1.930 64.106 62.100 0.127 0.000 1.147 340 T CB -0.423 68.589 68.868 0.240 0.000 0.862 340 T HN 0.409 nan 8.240 nan 0.000 0.446 341 E N 0.810 120.971 120.200 -0.064 0.000 2.110 341 E HA -0.045 4.305 4.350 -0.001 0.000 0.193 341 E C 2.555 179.016 176.600 -0.232 0.000 0.988 341 E CA 0.947 57.282 56.400 -0.109 0.000 0.804 341 E CB -0.203 29.450 29.700 -0.078 0.000 0.745 341 E HN 0.500 nan 8.360 nan 0.000 0.458 342 A N 1.127 123.754 122.820 -0.321 0.000 1.873 342 A HA -0.164 4.156 4.320 -0.001 0.000 0.215 342 A C 2.147 179.287 177.584 -0.740 0.000 1.186 342 A CA 1.116 52.818 52.037 -0.560 0.000 0.616 342 A CB -0.278 18.447 19.000 -0.459 0.000 0.823 342 A HN 0.112 nan 8.150 nan 0.000 0.442 343 M N -0.167 119.107 119.600 -0.544 0.000 2.149 343 M HA -0.118 4.362 4.480 -0.001 0.000 0.261 343 M C 2.161 178.355 176.300 -0.177 0.000 1.064 343 M CA 2.000 57.087 55.300 -0.355 0.000 1.102 343 M CB -1.865 30.442 32.600 -0.487 0.000 1.369 343 M HN 0.452 nan 8.290 nan 0.000 0.408 344 T N 0.100 114.559 114.554 -0.158 0.000 2.746 344 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 344 T C 1.937 176.560 174.700 -0.129 0.000 1.039 344 T CA 1.086 63.135 62.100 -0.084 0.000 1.142 344 T CB -0.191 68.641 68.868 -0.060 0.000 0.866 344 T HN 0.390 nan 8.240 nan 0.000 0.444 345 R N 0.063 120.413 120.500 -0.251 0.000 2.152 345 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 345 R C 1.449 177.655 176.300 -0.157 0.000 1.117 345 R CA 1.008 56.961 56.100 -0.244 0.000 0.981 345 R CB -0.254 29.836 30.300 -0.350 0.000 0.870 345 R HN 0.443 nan 8.270 nan 0.000 0.451 346 Y N 0.066 120.299 120.300 -0.111 0.000 2.471 346 Y HA 0.119 4.669 4.550 -0.000 0.000 0.286 346 Y C 0.804 176.640 175.900 -0.106 0.000 1.188 346 Y CA -0.535 57.487 58.100 -0.129 0.000 1.286 346 Y CB -0.143 38.264 38.460 -0.087 0.000 1.072 346 Y HN -0.058 nan 8.280 nan 0.000 0.517 347 S N 0.024 115.747 115.700 0.038 0.000 3.968 347 S HA -0.088 4.381 4.470 -0.001 0.000 0.373 347 S C -0.013 174.593 174.600 0.010 0.000 0.974 347 S CA 0.488 58.699 58.200 0.019 0.000 1.124 347 S CB -1.404 61.796 63.200 0.001 0.000 0.862 347 S HN 0.747 nan 8.310 nan 0.000 0.492 348 A N 1.652 124.491 122.820 0.033 0.000 3.448 348 A HA 0.546 4.866 4.320 -0.001 0.000 0.232 348 A C -2.199 175.484 177.584 0.164 0.000 1.018 348 A CA -0.505 51.572 52.037 0.066 0.000 0.996 348 A CB 0.800 19.851 19.000 0.085 0.000 1.283 348 A HN 0.461 nan 8.150 nan 0.000 0.586 349 P HA 0.232 nan 4.420 nan 0.000 0.270 349 P C -2.877 174.509 177.300 0.144 0.000 1.223 349 P CA -0.734 62.430 63.100 0.107 0.000 0.785 349 P CB 0.361 32.061 31.700 -0.000 0.000 0.923 350 P HA 0.102 nan 4.420 nan 0.000 0.282 350 P C 0.793 178.040 177.300 -0.089 0.000 1.249 350 P CA -0.012 63.011 63.100 -0.129 0.000 0.806 350 P CB 0.902 32.472 31.700 -0.218 0.000 0.984 351 G N 2.143 110.880 108.800 -0.105 0.000 2.408 351 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.213 351 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.213 351 G C 0.044 174.908 174.900 -0.061 0.000 1.177 351 G CA 0.387 45.455 45.100 -0.053 0.000 0.802 351 G HN 0.477 nan 8.290 nan 0.000 0.533 352 D N 0.311 120.659 120.400 -0.087 0.000 2.498 352 D HA 0.378 5.017 4.640 -0.001 0.000 0.247 352 D C -2.748 173.506 176.300 -0.077 0.000 1.070 352 D CA -1.286 52.677 54.000 -0.063 0.000 0.842 352 D CB 2.040 42.814 40.800 -0.044 0.000 1.361 352 D HN -0.105 nan 8.370 nan 0.000 0.484 353 P HA 0.093 nan 4.420 nan 0.000 0.260 353 P C -2.268 175.029 177.300 -0.004 0.000 1.185 353 P CA -0.608 62.482 63.100 -0.017 0.000 0.763 353 P CB -0.171 31.527 31.700 -0.004 0.000 0.776 354 P HA 0.107 nan 4.420 nan 0.000 0.276 354 P C -0.849 176.467 177.300 0.027 0.000 1.230 354 P CA 0.018 63.168 63.100 0.084 0.000 0.776 354 P CB 1.031 32.872 31.700 0.236 0.000 0.888 355 Q N 3.304 123.134 119.800 0.050 0.000 2.337 355 Q HA 0.415 4.754 4.340 -0.001 0.000 0.270 355 Q C -2.338 173.677 176.000 0.026 0.000 1.043 355 Q CA -2.177 53.636 55.803 0.017 0.000 0.794 355 Q CB 2.477 31.234 28.738 0.032 0.000 1.281 355 Q HN 0.411 nan 8.270 nan 0.000 0.446 356 P HA 0.084 nan 4.420 nan 0.000 0.275 356 P C -0.847 176.388 177.300 -0.108 0.000 1.227 356 P CA -0.035 63.013 63.100 -0.086 0.000 0.781 356 P CB 1.141 32.766 31.700 -0.127 0.000 0.906 357 E N 1.842 121.923 120.200 -0.198 0.000 2.293 357 E HA 0.230 4.579 4.350 -0.001 0.000 0.270 357 E C -0.656 175.781 176.600 -0.272 0.000 0.879 357 E CA -0.475 55.849 56.400 -0.126 0.000 0.756 357 E CB 1.546 31.250 29.700 0.007 0.000 1.208 357 E HN 0.446 nan 8.360 nan 0.000 0.428 358 Y N -0.155 120.297 120.300 0.253 0.000 2.612 358 Y HA 0.174 4.723 4.550 -0.001 0.000 0.250 358 Y C 0.232 176.397 175.900 0.440 0.000 1.175 358 Y CA -0.306 58.012 58.100 0.363 0.000 1.205 358 Y CB 1.091 39.658 38.460 0.178 0.000 1.201 358 Y HN 0.254 nan 8.280 nan 0.000 0.532 359 D N 0.632 121.191 120.400 0.265 0.000 2.542 359 D HA 0.087 4.727 4.640 -0.001 0.000 0.252 359 D C 0.799 176.868 176.300 -0.386 0.000 1.222 359 D CA -0.211 53.789 54.000 -0.000 0.000 0.895 359 D CB 1.737 42.555 40.800 0.029 0.000 1.207 359 D HN 0.156 nan 8.370 nan 0.000 0.558 360 L N 4.742 125.379 121.223 -0.978 0.000 2.034 360 L HA -0.205 4.135 4.340 -0.001 0.000 0.217 360 L C 1.732 178.297 176.870 -0.508 0.000 1.077 360 L CA 2.104 56.276 54.840 -1.113 0.000 0.769 360 L CB -0.386 40.876 42.059 -1.329 0.000 0.890 360 L HN 0.522 nan 8.230 nan 0.000 0.435 361 E N -0.934 119.064 120.200 -0.337 0.000 2.333 361 E HA -0.171 4.179 4.350 -0.001 0.000 0.198 361 E C 1.949 178.465 176.600 -0.140 0.000 1.007 361 E CA 0.806 57.089 56.400 -0.194 0.000 0.845 361 E CB -0.195 29.433 29.700 -0.120 0.000 0.766 361 E HN 0.549 nan 8.360 nan 0.000 0.507 362 L N 0.749 121.890 121.223 -0.137 0.000 2.592 362 L HA 0.175 4.514 4.340 -0.001 0.000 0.227 362 L C 0.612 177.442 176.870 -0.068 0.000 1.127 362 L CA -0.079 54.717 54.840 -0.074 0.000 0.884 362 L CB 0.145 42.185 42.059 -0.031 0.000 1.065 362 L HN 0.048 nan 8.230 nan 0.000 0.457 363 I N 0.182 120.687 120.570 -0.108 0.000 2.315 363 I HA 0.132 4.302 4.170 -0.001 0.000 0.291 363 I C -0.095 175.983 176.117 -0.065 0.000 1.006 363 I CA 0.130 61.385 61.300 -0.076 0.000 1.265 363 I CB 1.408 39.349 38.000 -0.099 0.000 1.387 363 I HN -0.095 nan 8.210 nan 0.000 0.475 364 T N 5.026 119.559 114.554 -0.034 0.000 2.770 364 T HA 0.496 4.846 4.350 -0.001 0.000 0.283 364 T C -0.303 174.391 174.700 -0.010 0.000 0.988 364 T CA -0.631 61.455 62.100 -0.023 0.000 0.957 364 T CB 1.068 69.927 68.868 -0.015 0.000 0.930 364 T HN 0.726 nan 8.240 nan 0.000 0.443 365 S N 0.764 116.460 115.700 -0.007 0.000 2.541 365 S HA 0.473 4.943 4.470 -0.001 0.000 0.271 365 S C 0.171 174.781 174.600 0.016 0.000 1.133 365 S CA -0.779 57.419 58.200 -0.002 0.000 0.876 365 S CB 0.866 64.050 63.200 -0.026 0.000 1.105 365 S HN 0.872 nan 8.310 nan 0.000 0.470 366 C N 1.652 120.965 119.300 0.023 0.000 4.397 366 C HA -0.181 4.279 4.460 -0.001 0.000 0.291 366 C C 1.390 176.440 174.990 0.099 0.000 1.408 366 C CA 0.837 59.887 59.018 0.053 0.000 1.971 366 C CB -3.123 24.640 27.740 0.039 0.000 1.258 366 C HN 1.740 nan 8.230 nan 0.000 0.795 367 S N -1.574 114.169 115.700 0.071 0.000 3.270 367 S HA -0.197 4.272 4.470 -0.001 0.000 0.293 367 S C 0.329 174.968 174.600 0.065 0.000 1.278 367 S CA 1.279 59.517 58.200 0.063 0.000 1.038 367 S CB -0.857 62.392 63.200 0.082 0.000 1.218 367 S HN 0.988 nan 8.310 nan 0.000 0.659 368 S N 1.794 117.545 115.700 0.085 0.000 2.715 368 S HA 0.834 5.303 4.470 -0.001 0.000 0.307 368 S C -0.315 174.304 174.600 0.032 0.000 1.119 368 S CA -0.789 57.473 58.200 0.104 0.000 0.937 368 S CB 1.719 65.052 63.200 0.221 0.000 1.150 368 S HN 0.629 nan 8.310 nan 0.000 0.521 369 N N -1.019 117.689 118.700 0.012 0.000 2.598 369 N HA 0.288 5.027 4.740 -0.001 0.000 0.263 369 N C -1.753 173.695 175.510 -0.104 0.000 1.254 369 N CA -0.543 52.473 53.050 -0.056 0.000 0.863 369 N CB 0.874 39.319 38.487 -0.070 0.000 1.586 369 N HN 0.334 nan 8.380 nan 0.000 0.491 370 V N 0.495 120.318 119.914 -0.151 0.000 2.686 370 V HA 0.496 4.615 4.120 -0.001 0.000 0.295 370 V C 0.496 176.461 176.094 -0.216 0.000 1.055 370 V CA 0.101 62.286 62.300 -0.191 0.000 1.050 370 V CB 1.032 32.731 31.823 -0.206 0.000 0.984 370 V HN 0.850 nan 8.190 nan 0.000 0.482 371 S N 2.475 117.978 115.700 -0.328 0.000 2.671 371 S HA 0.792 5.262 4.470 -0.001 0.000 0.277 371 S C -1.396 173.104 174.600 -0.166 0.000 1.165 371 S CA -0.436 57.595 58.200 -0.282 0.000 0.822 371 S CB 2.054 65.021 63.200 -0.389 0.000 1.150 371 S HN 0.676 nan 8.310 nan 0.000 0.479 372 V N 1.092 120.993 119.914 -0.021 0.000 2.876 372 V HA 0.990 5.109 4.120 -0.001 0.000 0.312 372 V C -0.265 175.767 176.094 -0.104 0.000 1.085 372 V CA 0.311 62.540 62.300 -0.118 0.000 0.945 372 V CB 1.314 32.891 31.823 -0.410 0.000 1.017 372 V HN 1.304 nan 8.190 nan 0.000 0.428 373 A N 4.565 127.179 122.820 -0.344 0.000 2.701 373 A HA 0.897 5.216 4.320 -0.001 0.000 0.290 373 A C -1.285 175.768 177.584 -0.884 0.000 1.267 373 A CA -0.549 51.117 52.037 -0.620 0.000 0.709 373 A CB 1.684 20.164 19.000 -0.868 0.000 1.352 373 A HN 0.920 nan 8.150 nan 0.000 0.519 374 H N 0.507 119.208 119.070 -0.615 0.000 2.667 374 H HA 0.376 4.932 4.556 -0.001 0.000 0.353 374 H C -1.180 173.787 175.328 -0.603 0.000 1.072 374 H CA -0.388 55.307 56.048 -0.589 0.000 1.214 374 H CB 1.741 31.104 29.762 -0.666 0.000 1.600 374 H HN 0.904 nan 8.280 nan 0.000 0.527 375 D N 1.047 121.330 120.400 -0.196 0.000 2.440 375 D HA 0.218 4.857 4.640 -0.001 0.000 0.269 375 D C 1.428 177.766 176.300 0.063 0.000 1.249 375 D CA -0.361 53.589 54.000 -0.084 0.000 1.055 375 D CB 0.417 41.187 40.800 -0.050 0.000 1.104 375 D HN 0.407 nan 8.370 nan 0.000 0.561 376 A N -0.456 122.421 122.820 0.094 0.000 1.940 376 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 376 A C 2.124 179.768 177.584 0.100 0.000 1.176 376 A CA 1.774 53.883 52.037 0.121 0.000 0.631 376 A CB -1.027 18.020 19.000 0.077 0.000 0.814 376 A HN 0.442 nan 8.150 nan 0.000 0.446 377 S N -1.813 113.927 115.700 0.067 0.000 2.561 377 S HA 0.296 4.765 4.470 -0.001 0.000 0.225 377 S C 1.507 176.140 174.600 0.056 0.000 0.977 377 S CA 1.007 59.236 58.200 0.049 0.000 0.926 377 S CB -0.159 63.060 63.200 0.032 0.000 0.769 377 S HN 1.618 nan 8.310 nan 0.000 0.533 378 G N 1.682 110.534 108.800 0.088 0.000 2.179 378 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.260 378 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.260 378 G C 0.099 175.054 174.900 0.092 0.000 0.977 378 G CA 0.359 45.501 45.100 0.069 0.000 0.641 378 G HN 0.513 nan 8.290 nan 0.000 0.533 379 K N 0.714 121.156 120.400 0.069 0.000 2.270 379 K HA 0.424 4.743 4.320 -0.001 0.000 0.276 379 K C 0.769 177.378 176.600 0.015 0.000 1.023 379 K CA -0.726 55.593 56.287 0.054 0.000 0.955 379 K CB 0.303 32.809 32.500 0.010 0.000 0.975 379 K HN 0.268 nan 8.250 nan 0.000 0.471 380 R N 1.946 122.419 120.500 -0.045 0.000 2.449 380 R HA 0.068 4.408 4.340 -0.001 0.000 0.296 380 R C -0.474 175.607 176.300 -0.366 0.000 1.047 380 R CA -0.114 55.790 56.100 -0.327 0.000 1.018 380 R CB 0.811 30.935 30.300 -0.292 0.000 0.962 380 R HN 0.372 nan 8.270 nan 0.000 0.428 381 V N 4.821 124.452 119.914 -0.472 0.000 2.638 381 V HA 0.417 4.537 4.120 -0.001 0.000 0.306 381 V C -1.427 174.472 176.094 -0.325 0.000 1.052 381 V CA -0.786 61.324 62.300 -0.318 0.000 0.885 381 V CB 1.377 33.084 31.823 -0.193 0.000 0.999 381 V HN 0.610 nan 8.190 nan 0.000 0.424 382 Y N 6.904 127.197 120.300 -0.012 0.000 2.320 382 Y HA 0.762 5.311 4.550 -0.001 0.000 0.324 382 Y C 0.024 175.994 175.900 0.118 0.000 1.190 382 Y CA 0.059 58.167 58.100 0.014 0.000 1.215 382 Y CB 1.508 39.928 38.460 -0.066 0.000 1.221 382 Y HN 0.861 nan 8.280 nan 0.000 0.486 383 Y N 0.045 120.393 120.300 0.080 0.000 2.638 383 Y HA 0.643 5.193 4.550 -0.000 0.000 0.335 383 Y C -2.234 173.713 175.900 0.079 0.000 1.155 383 Y CA -2.024 56.103 58.100 0.045 0.000 1.046 383 Y CB 0.572 39.027 38.460 -0.009 0.000 1.303 383 Y HN 0.474 nan 8.280 nan 0.000 0.460 384 L N 2.218 123.475 121.223 0.057 0.000 2.292 384 L HA 0.747 5.086 4.340 -0.001 0.000 0.284 384 L C 0.111 177.137 176.870 0.260 0.000 1.065 384 L CA 0.513 55.388 54.840 0.058 0.000 0.806 384 L CB 1.330 43.465 42.059 0.126 0.000 1.175 384 L HN 1.046 nan 8.230 nan 0.000 0.431 385 T N 4.285 118.944 114.554 0.175 0.000 2.669 385 T HA 0.881 5.231 4.350 -0.001 0.000 0.283 385 T C -1.223 173.552 174.700 0.126 0.000 1.019 385 T CA -0.548 61.719 62.100 0.279 0.000 1.039 385 T CB 1.116 70.105 68.868 0.202 0.000 1.374 385 T HN 0.849 nan 8.240 nan 0.000 0.523 386 R N 0.330 120.837 120.500 0.011 0.000 2.741 386 R HA 0.403 4.743 4.340 -0.001 0.000 0.276 386 R C -1.699 174.405 176.300 -0.327 0.000 1.028 386 R CA -0.979 55.024 56.100 -0.162 0.000 0.865 386 R CB 0.246 30.386 30.300 -0.266 0.000 1.268 386 R HN 0.532 nan 8.270 nan 0.000 0.475 387 D N 2.047 122.268 120.400 -0.298 0.000 2.401 387 D HA 0.061 4.701 4.640 -0.001 0.000 0.254 387 D C -1.305 174.630 176.300 -0.609 0.000 1.192 387 D CA -1.412 52.375 54.000 -0.355 0.000 0.885 387 D CB 1.317 41.996 40.800 -0.202 0.000 1.147 387 D HN 0.361 nan 8.370 nan 0.000 0.478 388 P HA -0.053 nan 4.420 nan 0.000 0.241 388 P C 1.227 178.215 177.300 -0.520 0.000 1.191 388 P CA 0.290 62.728 63.100 -1.103 0.000 0.771 388 P CB 0.316 31.287 31.700 -1.215 0.000 0.929 389 T N 0.278 114.640 114.554 -0.319 0.000 2.597 389 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 389 T C 1.838 176.478 174.700 -0.100 0.000 1.053 389 T CA 2.624 64.634 62.100 -0.151 0.000 1.165 389 T CB -1.222 67.599 68.868 -0.078 0.000 0.863 389 T HN 0.210 nan 8.240 nan 0.000 0.427 390 T N 2.095 116.592 114.554 -0.094 0.000 2.708 390 T HA -0.048 4.302 4.350 -0.001 0.000 0.266 390 T C -0.559 174.098 174.700 -0.071 0.000 1.037 390 T CA 1.225 63.294 62.100 -0.052 0.000 1.146 390 T CB -1.142 67.723 68.868 -0.005 0.000 0.865 390 T HN 0.342 nan 8.240 nan 0.000 0.435 391 P HA 0.010 nan 4.420 nan 0.000 0.215 391 P C 1.504 178.845 177.300 0.068 0.000 1.153 391 P CA 0.889 63.989 63.100 0.001 0.000 0.853 391 P CB -0.156 31.523 31.700 -0.034 0.000 0.788 392 L N -1.443 119.779 121.223 -0.001 0.000 2.093 392 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 392 L C 2.418 179.333 176.870 0.075 0.000 1.085 392 L CA 1.355 56.224 54.840 0.049 0.000 0.755 392 L CB -1.091 40.961 42.059 -0.012 0.000 0.904 392 L HN -0.038 nan 8.230 nan 0.000 0.435 393 A N 0.372 123.221 122.820 0.049 0.000 1.902 393 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 393 A C 2.371 180.025 177.584 0.117 0.000 1.181 393 A CA 1.406 53.489 52.037 0.078 0.000 0.623 393 A CB -0.426 18.596 19.000 0.038 0.000 0.818 393 A HN 0.313 nan 8.150 nan 0.000 0.443 394 R N -0.594 119.947 120.500 0.068 0.000 2.115 394 R HA -0.008 4.331 4.340 -0.001 0.000 0.230 394 R C 2.394 178.845 176.300 0.253 0.000 1.111 394 R CA 1.005 57.162 56.100 0.095 0.000 0.976 394 R CB -0.390 29.905 30.300 -0.008 0.000 0.870 394 R HN 0.514 nan 8.270 nan 0.000 0.445 395 A N 1.231 124.223 122.820 0.286 0.000 1.930 395 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 395 A C 2.339 180.152 177.584 0.381 0.000 1.175 395 A CA 1.528 53.848 52.037 0.473 0.000 0.627 395 A CB -0.475 18.817 19.000 0.487 0.000 0.815 395 A HN 0.371 nan 8.150 nan 0.000 0.443 396 A N -1.284 121.669 122.820 0.221 0.000 1.898 396 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 396 A C 2.092 179.776 177.584 0.166 0.000 1.181 396 A CA 1.343 53.461 52.037 0.135 0.000 0.620 396 A CB -0.827 18.235 19.000 0.104 0.000 0.819 396 A HN 0.821 nan 8.150 nan 0.000 0.442 397 W N 1.156 122.493 121.300 0.061 0.000 2.355 397 W HA -0.141 4.519 4.660 -0.000 0.000 0.309 397 W C 1.585 178.145 176.519 0.069 0.000 1.206 397 W CA 1.917 59.287 57.345 0.041 0.000 1.284 397 W CB -0.321 29.147 29.460 0.012 0.000 1.145 397 W HN 0.560 nan 8.180 nan 0.000 0.502 398 E N -0.804 119.654 120.200 0.430 0.000 2.418 398 E HA -0.119 4.231 4.350 -0.001 0.000 0.197 398 E C 1.923 178.681 176.600 0.264 0.000 1.026 398 E CA 1.229 57.846 56.400 0.361 0.000 0.862 398 E CB -0.164 29.799 29.700 0.438 0.000 0.799 398 E HN 0.063 nan 8.360 nan 0.000 0.518 399 T N 0.231 114.928 114.554 0.238 0.000 2.904 399 T HA -0.040 4.309 4.350 -0.001 0.000 0.267 399 T C 1.589 176.279 174.700 -0.017 0.000 1.059 399 T CA 1.253 63.435 62.100 0.136 0.000 1.137 399 T CB 0.098 69.048 68.868 0.137 0.000 0.879 399 T HN 0.214 nan 8.240 nan 0.000 0.467 400 A N 0.147 122.919 122.820 -0.080 0.000 2.508 400 A HA 0.423 4.743 4.320 -0.001 0.000 0.257 400 A C 0.576 178.059 177.584 -0.169 0.000 1.226 400 A CA -0.264 51.685 52.037 -0.147 0.000 0.947 400 A CB 0.548 19.430 19.000 -0.198 0.000 1.079 400 A HN 0.068 nan 8.150 nan 0.000 0.531 401 R N 0.250 120.664 120.500 -0.143 0.000 2.548 401 R HA 0.319 4.658 4.340 -0.001 0.000 0.280 401 R C -1.822 174.473 176.300 -0.007 0.000 1.061 401 R CA -0.492 55.577 56.100 -0.053 0.000 0.915 401 R CB 0.930 31.215 30.300 -0.026 0.000 1.210 401 R HN 0.472 nan 8.270 nan 0.000 0.442 402 H N 0.616 119.761 119.070 0.124 0.000 2.646 402 H HA 0.288 4.843 4.556 -0.001 0.000 0.325 402 H C 0.632 176.036 175.328 0.127 0.000 1.075 402 H CA 0.415 56.539 56.048 0.127 0.000 1.421 402 H CB 1.079 30.890 29.762 0.082 0.000 1.461 402 H HN 0.568 nan 8.280 nan 0.000 0.525 403 T N -0.123 114.553 114.554 0.205 0.000 2.926 403 T HA 0.309 4.658 4.350 -0.001 0.000 0.289 403 T C -1.649 173.072 174.700 0.036 0.000 1.054 403 T CA -2.000 60.174 62.100 0.122 0.000 1.015 403 T CB 1.548 70.481 68.868 0.110 0.000 1.167 403 T HN 0.252 nan 8.240 nan 0.000 0.526 404 P HA 0.120 nan 4.420 nan 0.000 0.215 404 P C -0.187 177.062 177.300 -0.085 0.000 1.157 404 P CA 0.404 63.449 63.100 -0.092 0.000 0.863 404 P CB 0.089 31.737 31.700 -0.087 0.000 0.787 405 V N 1.531 121.404 119.914 -0.069 0.000 2.384 405 V HA 0.196 4.316 4.120 -0.001 0.000 0.287 405 V C -0.139 175.896 176.094 -0.099 0.000 1.020 405 V CA -0.804 61.444 62.300 -0.087 0.000 0.850 405 V CB 1.279 33.054 31.823 -0.080 0.000 0.987 405 V HN 0.042 nan 8.190 nan 0.000 0.436 406 N N 3.345 121.939 118.700 -0.177 0.000 2.555 406 N HA 0.038 4.777 4.740 -0.001 0.000 0.244 406 N C 1.438 176.714 175.510 -0.390 0.000 1.114 406 N CA 0.228 53.094 53.050 -0.306 0.000 0.963 406 N CB 1.560 39.721 38.487 -0.544 0.000 1.276 406 N HN 0.835 nan 8.380 nan 0.000 0.510 407 S N 2.474 118.069 115.700 -0.174 0.000 2.399 407 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 407 S C 1.849 176.404 174.600 -0.075 0.000 1.022 407 S CA 0.300 58.444 58.200 -0.092 0.000 0.983 407 S CB -0.388 62.811 63.200 -0.002 0.000 0.803 407 S HN 0.789 nan 8.310 nan 0.000 0.480 408 W N 1.282 122.499 121.300 -0.137 0.000 2.363 408 W HA -0.021 4.639 4.660 -0.001 0.000 0.296 408 W C 1.714 178.157 176.519 -0.128 0.000 1.212 408 W CA 0.526 57.756 57.345 -0.191 0.000 1.260 408 W CB -1.074 27.921 29.460 -0.777 0.000 1.131 408 W HN 0.373 nan 8.180 nan 0.000 0.530 409 L N 2.878 123.467 121.223 -1.057 0.000 2.044 409 L HA 0.168 4.508 4.340 -0.001 0.000 0.205 409 L C 2.669 179.348 176.870 -0.319 0.000 1.075 409 L CA 2.837 57.148 54.840 -0.883 0.000 0.747 409 L CB -1.429 39.894 42.059 -1.227 0.000 0.903 409 L HN 0.043 nan 8.230 nan 0.000 0.435 410 G N -0.592 108.042 108.800 -0.277 0.000 2.418 410 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.217 410 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.217 410 G C 1.457 176.359 174.900 0.005 0.000 1.158 410 G CA 0.800 45.820 45.100 -0.133 0.000 0.771 410 G HN 0.453 nan 8.290 nan 0.000 0.545 411 N N 0.489 119.250 118.700 0.101 0.000 2.244 411 N HA -0.002 4.737 4.740 -0.001 0.000 0.183 411 N C 2.215 177.863 175.510 0.229 0.000 1.016 411 N CA 0.562 53.791 53.050 0.299 0.000 0.866 411 N CB -0.113 38.630 38.487 0.427 0.000 0.980 411 N HN 0.346 nan 8.380 nan 0.000 0.430 412 I N 0.886 121.554 120.570 0.164 0.000 2.202 412 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 412 I C 2.007 178.183 176.117 0.099 0.000 1.091 412 I CA 0.832 62.215 61.300 0.139 0.000 1.368 412 I CB -0.144 38.005 38.000 0.248 0.000 1.058 412 I HN 0.022 nan 8.210 nan 0.000 0.410 413 I N 0.061 120.689 120.570 0.098 0.000 2.226 413 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 413 I C 2.512 178.731 176.117 0.170 0.000 1.100 413 I CA 1.303 62.685 61.300 0.136 0.000 1.374 413 I CB -0.227 37.823 38.000 0.083 0.000 1.057 413 I HN 0.242 nan 8.210 nan 0.000 0.413 414 M N -0.844 118.775 119.600 0.030 0.000 2.236 414 M HA -0.094 4.386 4.480 -0.001 0.000 0.266 414 M C 1.037 177.135 176.300 -0.338 0.000 1.070 414 M CA 1.686 56.894 55.300 -0.153 0.000 1.137 414 M CB -0.631 31.764 32.600 -0.342 0.000 1.378 414 M HN 0.190 nan 8.290 nan 0.000 0.426 415 Y N -0.615 119.675 120.300 -0.017 0.000 2.734 415 Y HA 0.480 5.030 4.550 -0.001 0.000 0.278 415 Y C 1.762 177.410 175.900 -0.420 0.000 1.108 415 Y CA -0.332 57.647 58.100 -0.203 0.000 1.211 415 Y CB -0.877 37.425 38.460 -0.264 0.000 1.182 415 Y HN 0.149 nan 8.280 nan 0.000 0.547 416 A N 0.949 123.586 122.820 -0.305 0.000 1.958 416 A HA -0.181 4.138 4.320 -0.001 0.000 0.221 416 A C -0.451 176.879 177.584 -0.423 0.000 1.178 416 A CA 1.768 53.602 52.037 -0.339 0.000 0.642 416 A CB -1.342 17.488 19.000 -0.283 0.000 0.816 416 A HN 0.292 nan 8.150 nan 0.000 0.453 417 P HA 0.027 nan 4.420 nan 0.000 0.237 417 P C 0.611 177.672 177.300 -0.397 0.000 1.178 417 P CA 1.157 63.993 63.100 -0.441 0.000 0.766 417 P CB -0.305 31.138 31.700 -0.428 0.000 0.876 418 T N -2.732 111.598 114.554 -0.374 0.000 2.868 418 T HA 0.134 4.484 4.350 -0.001 0.000 0.292 418 T C 1.086 175.418 174.700 -0.613 0.000 1.028 418 T CA -0.659 61.181 62.100 -0.432 0.000 1.059 418 T CB 0.645 69.042 68.868 -0.785 0.000 0.991 418 T HN -0.185 nan 8.240 nan 0.000 0.531 419 L N 1.925 122.700 121.223 -0.748 0.000 2.017 419 L HA 0.043 4.383 4.340 -0.001 0.000 0.208 419 L C 2.432 179.021 176.870 -0.469 0.000 1.073 419 L CA 1.619 55.994 54.840 -0.776 0.000 0.745 419 L CB -1.014 40.467 42.059 -0.963 0.000 0.894 419 L HN 0.921 nan 8.230 nan 0.000 0.432 420 W N -0.503 120.602 121.300 -0.324 0.000 2.388 420 W HA -0.004 4.656 4.660 -0.001 0.000 0.294 420 W C 2.000 178.400 176.519 -0.198 0.000 1.212 420 W CA 0.922 58.114 57.345 -0.255 0.000 1.271 420 W CB -1.488 27.855 29.460 -0.195 0.000 1.126 420 W HN 0.331 nan 8.180 nan 0.000 0.535 421 A N 1.753 124.136 122.820 -0.728 0.000 1.898 421 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 421 A C 2.266 179.721 177.584 -0.215 0.000 1.181 421 A CA 1.709 53.459 52.037 -0.478 0.000 0.620 421 A CB -0.720 17.836 19.000 -0.740 0.000 0.819 421 A HN 0.295 nan 8.150 nan 0.000 0.442 422 R N -1.237 119.074 120.500 -0.315 0.000 2.055 422 R HA -0.016 4.324 4.340 -0.001 0.000 0.228 422 R C 2.427 178.643 176.300 -0.141 0.000 1.143 422 R CA 1.605 57.574 56.100 -0.218 0.000 0.945 422 R CB -0.447 29.599 30.300 -0.423 0.000 0.841 422 R HN 0.638 nan 8.270 nan 0.000 0.429 423 M N 0.472 119.809 119.600 -0.438 0.000 2.117 423 M HA -0.142 4.338 4.480 -0.001 0.000 0.262 423 M C 1.636 177.781 176.300 -0.258 0.000 1.065 423 M CA 1.859 56.934 55.300 -0.375 0.000 1.114 423 M CB 0.138 32.467 32.600 -0.452 0.000 1.361 423 M HN 0.118 nan 8.290 nan 0.000 0.408 424 I N -0.828 119.465 120.570 -0.463 0.000 2.962 424 I HA -0.122 4.047 4.170 -0.001 0.000 0.246 424 I C 2.148 178.084 176.117 -0.300 0.000 1.091 424 I CA 0.205 60.993 61.300 -0.854 0.000 1.469 424 I CB -0.509 37.035 38.000 -0.761 0.000 1.324 424 I HN 0.211 nan 8.210 nan 0.000 0.461 425 L N 0.429 121.665 121.223 0.022 0.000 1.990 425 L HA -0.261 4.079 4.340 -0.001 0.000 0.213 425 L C 2.728 179.894 176.870 0.494 0.000 1.072 425 L CA 1.829 56.880 54.840 0.351 0.000 0.755 425 L CB -0.507 41.794 42.059 0.404 0.000 0.889 425 L HN 0.322 nan 8.230 nan 0.000 0.432 426 M N -1.029 118.829 119.600 0.431 0.000 2.086 426 M HA -0.177 4.302 4.480 -0.001 0.000 0.261 426 M C 2.319 179.110 176.300 0.819 0.000 1.067 426 M CA 2.067 57.732 55.300 0.609 0.000 1.116 426 M CB -0.571 32.217 32.600 0.313 0.000 1.348 426 M HN 0.277 nan 8.290 nan 0.000 0.407 427 T N -1.308 113.675 114.554 0.714 0.000 2.643 427 T HA -0.228 4.121 4.350 -0.001 0.000 0.264 427 T C 1.650 176.594 174.700 0.407 0.000 1.045 427 T CA 1.927 64.376 62.100 0.582 0.000 1.155 427 T CB -0.609 68.633 68.868 0.624 0.000 0.863 427 T HN 0.452 nan 8.240 nan 0.000 0.420 428 H N 0.522 119.718 119.070 0.210 0.000 2.267 428 H HA -0.066 4.490 4.556 -0.001 0.000 0.297 428 H C 1.791 176.968 175.328 -0.250 0.000 1.080 428 H CA 1.758 57.802 56.048 -0.007 0.000 1.278 428 H CB -0.546 29.060 29.762 -0.260 0.000 1.365 428 H HN 0.338 nan 8.280 nan 0.000 0.489 429 F N -1.227 118.678 119.950 -0.075 0.000 2.325 429 F HA -0.013 4.514 4.527 -0.001 0.000 0.299 429 F C 1.949 177.571 175.800 -0.298 0.000 1.090 429 F CA 0.525 58.245 58.000 -0.467 0.000 1.392 429 F CB -0.459 37.884 39.000 -1.094 0.000 1.053 429 F HN 0.157 nan 8.300 nan 0.000 0.521 430 F N -0.709 119.319 119.950 0.131 0.000 2.293 430 F HA -0.128 4.399 4.527 -0.001 0.000 0.297 430 F C 2.697 178.518 175.800 0.034 0.000 1.089 430 F CA 1.274 59.372 58.000 0.164 0.000 1.377 430 F CB -0.795 38.410 39.000 0.341 0.000 1.051 430 F HN -0.103 nan 8.300 nan 0.000 0.511 431 S N 0.400 116.161 115.700 0.101 0.000 2.368 431 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 431 S C 2.145 176.695 174.600 -0.084 0.000 1.030 431 S CA 1.439 59.631 58.200 -0.014 0.000 0.999 431 S CB -0.438 62.730 63.200 -0.053 0.000 0.844 431 S HN 0.338 nan 8.310 nan 0.000 0.459 432 I N 1.189 121.647 120.570 -0.187 0.000 2.202 432 I HA -0.159 4.010 4.170 -0.001 0.000 0.242 432 I C 2.251 178.318 176.117 -0.083 0.000 1.091 432 I CA 1.095 62.285 61.300 -0.184 0.000 1.368 432 I CB -0.378 37.450 38.000 -0.287 0.000 1.058 432 I HN 0.309 nan 8.210 nan 0.000 0.410 433 L N 0.174 121.349 121.223 -0.081 0.000 2.079 433 L HA -0.241 4.098 4.340 -0.001 0.000 0.210 433 L C 2.544 179.418 176.870 0.006 0.000 1.081 433 L CA 1.316 56.132 54.840 -0.040 0.000 0.752 433 L CB -0.544 41.438 42.059 -0.128 0.000 0.896 433 L HN 0.293 nan 8.230 nan 0.000 0.433 434 L N -0.350 120.888 121.223 0.026 0.000 1.994 434 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 434 L C 2.895 179.777 176.870 0.020 0.000 1.071 434 L CA 1.303 56.170 54.840 0.046 0.000 0.745 434 L CB -0.684 41.409 42.059 0.057 0.000 0.892 434 L HN 0.234 nan 8.230 nan 0.000 0.431 435 A N -0.976 121.844 122.820 -0.001 0.000 1.978 435 A HA -0.212 4.107 4.320 -0.001 0.000 0.220 435 A C 2.061 179.648 177.584 0.004 0.000 1.170 435 A CA 1.471 53.504 52.037 -0.007 0.000 0.636 435 A CB -0.256 18.729 19.000 -0.026 0.000 0.810 435 A HN 0.461 nan 8.150 nan 0.000 0.448 436 Q N -0.906 118.901 119.800 0.011 0.000 2.282 436 Q HA 0.101 4.441 4.340 -0.001 0.000 0.206 436 Q C -0.515 175.504 176.000 0.032 0.000 0.878 436 Q CA 0.349 56.167 55.803 0.025 0.000 0.944 436 Q CB 0.116 28.878 28.738 0.040 0.000 1.100 436 Q HN 0.791 nan 8.270 nan 0.000 0.509 437 E N 0.834 121.054 120.200 0.032 0.000 2.252 437 E HA -0.244 4.106 4.350 -0.001 0.000 0.218 437 E C -0.301 176.326 176.600 0.046 0.000 1.253 437 E CA 0.292 56.716 56.400 0.039 0.000 0.705 437 E CB -1.190 28.530 29.700 0.034 0.000 1.172 437 E HN 0.453 nan 8.360 nan 0.000 0.369 438 Q N -0.374 119.455 119.800 0.049 0.000 2.135 438 Q HA 0.214 4.553 4.340 -0.001 0.000 0.231 438 Q C 1.665 177.701 176.000 0.059 0.000 0.817 438 Q CA -0.274 55.563 55.803 0.058 0.000 1.073 438 Q CB 0.503 29.284 28.738 0.072 0.000 1.176 438 Q HN 0.387 nan 8.270 nan 0.000 0.478 439 L N 1.591 122.848 121.223 0.057 0.000 2.043 439 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 439 L C 2.414 179.333 176.870 0.082 0.000 1.075 439 L CA 1.516 56.395 54.840 0.066 0.000 0.752 439 L CB -0.336 41.794 42.059 0.117 0.000 0.891 439 L HN 0.385 nan 8.230 nan 0.000 0.432 440 E N 0.989 121.236 120.200 0.078 0.000 2.502 440 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 440 E C 0.653 177.294 176.600 0.068 0.000 1.062 440 E CA 0.154 56.599 56.400 0.075 0.000 0.867 440 E CB -0.205 29.534 29.700 0.065 0.000 0.888 440 E HN 0.336 nan 8.360 nan 0.000 0.510 441 K N 1.538 121.980 120.400 0.069 0.000 2.349 441 K HA 0.323 4.643 4.320 -0.001 0.000 0.288 441 K C -0.431 176.211 176.600 0.070 0.000 1.058 441 K CA -0.047 56.281 56.287 0.068 0.000 0.953 441 K CB 0.670 33.213 32.500 0.071 0.000 0.997 441 K HN 0.070 nan 8.250 nan 0.000 0.477 442 A N 5.395 128.254 122.820 0.066 0.000 2.477 442 A HA 0.309 4.629 4.320 -0.001 0.000 0.246 442 A C -0.454 177.163 177.584 0.055 0.000 1.078 442 A CA -0.183 51.893 52.037 0.064 0.000 0.770 442 A CB 0.096 19.140 19.000 0.074 0.000 1.011 442 A HN 0.767 nan 8.150 nan 0.000 0.494 443 L N 1.906 123.145 121.223 0.027 0.000 2.370 443 L HA 0.411 4.751 4.340 -0.001 0.000 0.266 443 L C -0.812 176.038 176.870 -0.034 0.000 1.002 443 L CA -1.067 53.767 54.840 -0.009 0.000 0.818 443 L CB 2.084 44.108 42.059 -0.058 0.000 1.325 443 L HN 0.585 nan 8.230 nan 0.000 0.418 444 D N 1.177 121.553 120.400 -0.040 0.000 2.210 444 D HA 0.500 5.140 4.640 -0.001 0.000 0.249 444 D C -0.460 175.773 176.300 -0.112 0.000 1.078 444 D CA -0.014 53.967 54.000 -0.032 0.000 0.875 444 D CB 1.818 42.614 40.800 -0.008 0.000 1.175 444 D HN 0.620 nan 8.370 nan 0.000 0.440 445 C N 0.271 119.510 119.300 -0.103 0.000 3.340 445 C HA 0.687 5.146 4.460 -0.001 0.000 0.333 445 C C -1.161 173.778 174.990 -0.085 0.000 1.464 445 C CA -0.840 58.086 59.018 -0.153 0.000 1.337 445 C CB 1.591 29.185 27.740 -0.243 0.000 1.740 445 C HN 0.523 nan 8.230 nan 0.000 0.450 446 Q N 0.305 120.051 119.800 -0.089 0.000 2.375 446 Q HA 0.756 5.096 4.340 -0.001 0.000 0.271 446 Q C -1.486 174.467 176.000 -0.078 0.000 1.074 446 Q CA -0.470 55.313 55.803 -0.033 0.000 0.808 446 Q CB 2.669 31.401 28.738 -0.010 0.000 1.327 446 Q HN 0.725 nan 8.270 nan 0.000 0.441 447 I N 2.496 123.027 120.570 -0.066 0.000 2.468 447 I HA 0.199 4.368 4.170 -0.001 0.000 0.285 447 I C -1.063 175.072 176.117 0.030 0.000 1.039 447 I CA -0.798 60.369 61.300 -0.221 0.000 1.074 447 I CB 1.076 38.630 38.000 -0.744 0.000 1.228 447 I HN 0.649 nan 8.210 nan 0.000 0.436 448 Y N 5.111 125.462 120.300 0.084 0.000 3.491 448 Y HA -0.262 4.287 4.550 -0.000 0.000 0.215 448 Y C 1.483 177.376 175.900 -0.011 0.000 1.219 448 Y CA 1.143 59.294 58.100 0.085 0.000 1.485 448 Y CB -1.969 36.555 38.460 0.107 0.000 1.450 448 Y HN 0.987 nan 8.280 nan 0.000 0.603 449 G N -2.133 106.772 108.800 0.176 0.000 2.284 449 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.247 449 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.247 449 G C 0.505 175.461 174.900 0.093 0.000 1.012 449 G CA 0.206 45.369 45.100 0.106 0.000 0.618 449 G HN 1.580 nan 8.290 nan 0.000 0.521 450 A N -0.311 122.589 122.820 0.133 0.000 2.354 450 A HA 0.612 4.932 4.320 -0.001 0.000 0.269 450 A C 0.748 178.268 177.584 -0.107 0.000 1.109 450 A CA 0.518 52.530 52.037 -0.041 0.000 0.800 450 A CB 0.774 19.736 19.000 -0.064 0.000 1.045 450 A HN 1.575 nan 8.150 nan 0.000 0.489 451 C N 2.650 121.801 119.300 -0.248 0.000 2.369 451 C HA 0.724 5.184 4.460 -0.001 0.000 0.358 451 C C -0.945 173.778 174.990 -0.444 0.000 1.274 451 C CA -0.399 58.523 59.018 -0.160 0.000 1.935 451 C CB -1.336 26.409 27.740 0.009 0.000 2.431 451 C HN 0.652 nan 8.230 nan 0.000 0.545 452 Y N 3.189 123.339 120.300 -0.251 0.000 2.406 452 Y HA 0.403 4.952 4.550 -0.001 0.000 0.340 452 Y C 0.377 176.179 175.900 -0.164 0.000 0.975 452 Y CA -0.313 57.591 58.100 -0.327 0.000 1.056 452 Y CB 1.852 40.037 38.460 -0.458 0.000 1.210 452 Y HN 0.618 nan 8.280 nan 0.000 0.448 453 S N 4.618 120.335 115.700 0.027 0.000 2.452 453 S HA 0.693 5.163 4.470 -0.001 0.000 0.284 453 S C -0.810 173.844 174.600 0.091 0.000 1.171 453 S CA -0.256 58.006 58.200 0.102 0.000 1.064 453 S CB -0.313 63.000 63.200 0.188 0.000 0.967 453 S HN 0.539 nan 8.310 nan 0.000 0.484 454 I N 3.770 124.375 120.570 0.058 0.000 2.647 454 I HA 0.364 4.534 4.170 -0.001 0.000 0.295 454 I C -0.366 175.782 176.117 0.052 0.000 1.078 454 I CA -0.709 60.633 61.300 0.070 0.000 1.048 454 I CB 2.373 40.407 38.000 0.058 0.000 1.239 454 I HN 0.544 nan 8.210 nan 0.000 0.421 455 E N 6.309 126.556 120.200 0.077 0.000 2.200 455 E HA 0.209 4.558 4.350 -0.001 0.000 0.283 455 E C -1.858 174.803 176.600 0.103 0.000 1.015 455 E CA -1.578 54.870 56.400 0.080 0.000 0.819 455 E CB 1.383 31.132 29.700 0.082 0.000 1.081 455 E HN 0.302 nan 8.360 nan 0.000 0.397 456 P HA -0.207 nan 4.420 nan 0.000 0.217 456 P C 1.032 178.499 177.300 0.278 0.000 1.151 456 P CA 1.176 64.372 63.100 0.160 0.000 0.849 456 P CB 0.207 31.926 31.700 0.032 0.000 0.787 457 L N -0.790 120.562 121.223 0.216 0.000 2.261 457 L HA -0.165 4.175 4.340 -0.001 0.000 0.216 457 L C 1.351 178.319 176.870 0.164 0.000 1.114 457 L CA 1.268 56.239 54.840 0.218 0.000 0.777 457 L CB -0.721 41.428 42.059 0.150 0.000 0.910 457 L HN 0.035 nan 8.230 nan 0.000 0.440 458 D N -0.413 120.071 120.400 0.139 0.000 2.340 458 D HA 0.014 4.653 4.640 -0.001 0.000 0.220 458 D C 2.263 178.628 176.300 0.108 0.000 1.039 458 D CA 0.256 54.311 54.000 0.091 0.000 0.866 458 D CB 0.333 41.174 40.800 0.068 0.000 0.913 458 D HN 0.320 nan 8.370 nan 0.000 0.523 459 L N 1.046 122.380 121.223 0.184 0.000 2.013 459 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 459 L C -0.419 176.560 176.870 0.181 0.000 1.073 459 L CA 1.671 56.637 54.840 0.210 0.000 0.753 459 L CB -1.633 40.623 42.059 0.328 0.000 0.890 459 L HN 0.046 nan 8.230 nan 0.000 0.432 460 P HA -0.203 nan 4.420 nan 0.000 0.215 460 P C 1.447 178.792 177.300 0.075 0.000 1.157 460 P CA 1.396 64.530 63.100 0.057 0.000 0.868 460 P CB 0.003 31.573 31.700 -0.218 0.000 0.788 461 Q N -0.712 119.074 119.800 -0.022 0.000 2.020 461 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 461 Q C 2.273 178.257 176.000 -0.028 0.000 0.982 461 Q CA 1.295 57.069 55.803 -0.049 0.000 0.838 461 Q CB -0.812 27.884 28.738 -0.070 0.000 0.899 461 Q HN 0.248 nan 8.270 nan 0.000 0.423 462 I N 0.757 121.314 120.570 -0.020 0.000 2.151 462 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 462 I C 2.278 178.389 176.117 -0.011 0.000 1.080 462 I CA 1.348 62.608 61.300 -0.066 0.000 1.339 462 I CB -0.352 37.658 38.000 0.016 0.000 1.039 462 I HN 0.214 nan 8.210 nan 0.000 0.409 463 I N 0.316 120.946 120.570 0.100 0.000 2.286 463 I HA -0.279 3.891 4.170 -0.001 0.000 0.248 463 I C 2.618 178.745 176.117 0.016 0.000 1.115 463 I CA 1.323 62.697 61.300 0.123 0.000 1.392 463 I CB -0.399 37.683 38.000 0.137 0.000 1.065 463 I HN 0.302 nan 8.210 nan 0.000 0.418 464 E N 1.076 121.319 120.200 0.073 0.000 2.051 464 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 464 E C 2.395 178.978 176.600 -0.027 0.000 0.991 464 E CA 1.000 57.435 56.400 0.058 0.000 0.799 464 E CB 0.130 29.904 29.700 0.123 0.000 0.748 464 E HN 0.270 nan 8.360 nan 0.000 0.449 465 R N 0.209 120.669 120.500 -0.066 0.000 2.096 465 R HA -0.097 4.242 4.340 -0.001 0.000 0.235 465 R C 2.458 178.677 176.300 -0.136 0.000 1.127 465 R CA 0.906 56.941 56.100 -0.108 0.000 0.968 465 R CB -0.517 29.684 30.300 -0.166 0.000 0.861 465 R HN 0.355 nan 8.270 nan 0.000 0.440 466 L N -0.799 120.306 121.223 -0.198 0.000 2.127 466 L HA -0.053 4.287 4.340 -0.001 0.000 0.203 466 L C 1.924 178.500 176.870 -0.489 0.000 1.080 466 L CA 1.028 55.653 54.840 -0.357 0.000 0.768 466 L CB -0.361 41.403 42.059 -0.492 0.000 0.924 466 L HN 0.250 nan 8.230 nan 0.000 0.444 467 H N -0.790 118.218 119.070 -0.104 0.000 2.885 467 H HA 0.322 4.878 4.556 -0.001 0.000 0.260 467 H C 0.992 176.243 175.328 -0.129 0.000 0.985 467 H CA 0.767 56.737 56.048 -0.129 0.000 1.210 467 H CB 0.981 30.634 29.762 -0.182 0.000 1.466 467 H HN 0.294 nan 8.280 nan 0.000 0.493 468 G N 1.002 109.785 108.800 -0.029 0.000 2.756 468 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.678 468 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.678 468 G C 0.653 175.527 174.900 -0.044 0.000 1.349 468 G CA -0.164 44.925 45.100 -0.019 0.000 0.847 468 G HN 0.212 nan 8.290 nan 0.000 0.548 469 L N 0.969 122.227 121.223 0.059 0.000 2.265 469 L HA -0.093 4.247 4.340 -0.001 0.000 0.215 469 L C 3.188 180.108 176.870 0.083 0.000 1.117 469 L CA 2.121 57.071 54.840 0.183 0.000 0.782 469 L CB -0.501 41.699 42.059 0.236 0.000 0.914 469 L HN 0.910 nan 8.230 nan 0.000 0.441 470 S N -0.034 115.662 115.700 -0.006 0.000 2.442 470 S HA -0.169 4.301 4.470 -0.001 0.000 0.236 470 S C 2.114 176.635 174.600 -0.132 0.000 1.007 470 S CA 0.807 58.981 58.200 -0.043 0.000 0.965 470 S CB -0.323 62.842 63.200 -0.059 0.000 0.773 470 S HN 0.378 nan 8.310 nan 0.000 0.504 471 A N 1.043 123.704 122.820 -0.265 0.000 1.972 471 A HA 0.156 4.476 4.320 -0.001 0.000 0.219 471 A C 1.547 178.928 177.584 -0.338 0.000 1.169 471 A CA 1.032 52.822 52.037 -0.412 0.000 0.635 471 A CB -0.869 17.770 19.000 -0.602 0.000 0.810 471 A HN 0.587 nan 8.150 nan 0.000 0.446 472 F N 0.318 120.283 119.950 0.027 0.000 2.797 472 F HA 0.121 4.648 4.527 -0.000 0.000 0.302 472 F C 1.692 177.536 175.800 0.074 0.000 1.130 472 F CA 0.665 58.706 58.000 0.068 0.000 1.387 472 F CB 0.009 39.081 39.000 0.120 0.000 1.107 472 F HN 0.273 nan 8.300 nan 0.000 0.577 473 S N -1.520 114.270 115.700 0.150 0.000 3.053 473 S HA 0.303 4.772 4.470 -0.001 0.000 0.255 473 S C -0.119 174.518 174.600 0.062 0.000 0.976 473 S CA -0.445 57.836 58.200 0.135 0.000 1.159 473 S CB -0.714 62.564 63.200 0.129 0.000 1.110 473 S HN 0.046 nan 8.310 nan 0.000 0.633 474 L N 3.247 124.427 121.223 -0.071 0.000 2.426 474 L HA 0.517 4.857 4.340 -0.001 0.000 0.271 474 L C 0.513 177.243 176.870 -0.232 0.000 1.169 474 L CA -0.044 54.626 54.840 -0.284 0.000 0.836 474 L CB 0.182 41.937 42.059 -0.506 0.000 1.112 474 L HN 0.687 nan 8.230 nan 0.000 0.465 475 H N -1.484 117.361 119.070 -0.375 0.000 2.960 475 H HA 0.370 4.926 4.556 -0.001 0.000 0.323 475 H C -0.410 174.768 175.328 -0.251 0.000 1.326 475 H CA -0.945 54.956 56.048 -0.245 0.000 1.124 475 H CB 1.103 30.840 29.762 -0.042 0.000 1.853 475 H HN 0.407 nan 8.280 nan 0.000 0.536 476 S N -0.267 115.508 115.700 0.124 0.000 3.667 476 S HA -0.220 4.250 4.470 -0.001 0.000 0.405 476 S C -0.564 174.046 174.600 0.016 0.000 0.913 476 S CA 0.479 58.770 58.200 0.152 0.000 1.288 476 S CB -2.455 60.894 63.200 0.248 0.000 0.905 476 S HN 0.542 nan 8.310 nan 0.000 0.550 477 Y N 1.699 122.029 120.300 0.050 0.000 2.279 477 Y HA 0.323 4.873 4.550 -0.001 0.000 0.350 477 Y C 1.454 177.390 175.900 0.060 0.000 1.288 477 Y CA 0.313 58.436 58.100 0.039 0.000 1.547 477 Y CB 0.304 38.791 38.460 0.046 0.000 1.381 477 Y HN 0.534 nan 8.280 nan 0.000 0.630 478 S N 0.575 116.414 115.700 0.231 0.000 2.585 478 S HA 0.164 4.634 4.470 -0.001 0.000 0.273 478 S C -2.093 172.583 174.600 0.127 0.000 1.339 478 S CA -1.095 57.186 58.200 0.136 0.000 1.028 478 S CB 1.292 64.548 63.200 0.094 0.000 0.906 478 S HN 0.404 nan 8.310 nan 0.000 0.528 479 P HA 0.010 nan 4.420 nan 0.000 0.216 479 P C 1.719 179.055 177.300 0.060 0.000 1.150 479 P CA 1.577 64.721 63.100 0.074 0.000 0.837 479 P CB -0.398 31.337 31.700 0.059 0.000 0.786 480 G N -0.087 108.745 108.800 0.053 0.000 2.421 480 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.216 480 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.216 480 G C 1.668 176.591 174.900 0.039 0.000 1.171 480 G CA 0.930 46.053 45.100 0.037 0.000 0.775 480 G HN 0.249 nan 8.290 nan 0.000 0.543 481 E N 0.705 120.944 120.200 0.066 0.000 2.028 481 E HA -0.053 4.297 4.350 -0.001 0.000 0.191 481 E C 2.466 179.098 176.600 0.053 0.000 0.988 481 E CA 0.788 57.234 56.400 0.076 0.000 0.799 481 E CB -0.473 29.323 29.700 0.161 0.000 0.755 481 E HN 0.468 nan 8.360 nan 0.000 0.447 482 I N 0.991 121.602 120.570 0.069 0.000 2.113 482 I HA -0.357 3.812 4.170 -0.001 0.000 0.242 482 I C 2.071 178.204 176.117 0.028 0.000 1.064 482 I CA 1.491 62.817 61.300 0.044 0.000 1.320 482 I CB -0.422 37.622 38.000 0.074 0.000 1.028 482 I HN 0.223 nan 8.210 nan 0.000 0.406 483 N N 0.330 119.048 118.700 0.031 0.000 2.270 483 N HA -0.164 4.575 4.740 -0.001 0.000 0.181 483 N C 1.904 177.417 175.510 0.004 0.000 1.016 483 N CA 0.842 53.904 53.050 0.020 0.000 0.870 483 N CB -0.278 38.223 38.487 0.023 0.000 0.979 483 N HN 0.378 nan 8.380 nan 0.000 0.431 484 R N 0.995 121.493 120.500 -0.004 0.000 2.092 484 R HA -0.020 4.320 4.340 -0.001 0.000 0.231 484 R C 1.814 178.083 176.300 -0.051 0.000 1.119 484 R CA 0.848 56.930 56.100 -0.030 0.000 0.970 484 R CB 0.025 30.300 30.300 -0.041 0.000 0.864 484 R HN -0.062 nan 8.270 nan 0.000 0.440 485 V N 0.867 120.758 119.914 -0.039 0.000 2.379 485 V HA -0.126 3.993 4.120 -0.001 0.000 0.245 485 V C 2.462 178.543 176.094 -0.022 0.000 1.044 485 V CA 1.707 63.978 62.300 -0.048 0.000 1.036 485 V CB -0.542 31.272 31.823 -0.014 0.000 0.664 485 V HN 0.526 nan 8.190 nan 0.000 0.453 486 A N 0.054 122.873 122.820 -0.001 0.000 1.883 486 A HA -0.234 4.085 4.320 -0.001 0.000 0.217 486 A C 2.493 180.084 177.584 0.012 0.000 1.186 486 A CA 2.465 54.511 52.037 0.016 0.000 0.624 486 A CB -0.819 18.195 19.000 0.023 0.000 0.822 486 A HN 0.517 nan 8.150 nan 0.000 0.444 487 S N -1.118 114.584 115.700 0.003 0.000 2.359 487 S HA -0.243 4.227 4.470 -0.001 0.000 0.224 487 S C 2.074 176.675 174.600 0.003 0.000 1.035 487 S CA 1.332 59.535 58.200 0.005 0.000 1.018 487 S CB -1.072 62.127 63.200 -0.002 0.000 0.876 487 S HN 0.805 nan 8.310 nan 0.000 0.448 488 C N 2.197 121.483 119.300 -0.022 0.000 2.413 488 C HA -0.023 4.436 4.460 -0.001 0.000 0.276 488 C C 2.443 177.428 174.990 -0.009 0.000 1.248 488 C CA 0.650 59.648 59.018 -0.033 0.000 1.742 488 C CB -1.669 26.014 27.740 -0.096 0.000 2.017 488 C HN 0.578 nan 8.230 nan 0.000 0.481 489 L N 0.089 121.312 121.223 0.000 0.000 2.093 489 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 489 L C 3.024 179.901 176.870 0.012 0.000 1.085 489 L CA 1.552 56.406 54.840 0.022 0.000 0.755 489 L CB -0.842 41.251 42.059 0.056 0.000 0.904 489 L HN 0.347 nan 8.230 nan 0.000 0.435 490 R N 0.259 120.775 120.500 0.025 0.000 2.090 490 R HA -0.151 4.189 4.340 -0.001 0.000 0.228 490 R C 2.345 178.700 176.300 0.091 0.000 1.110 490 R CA 1.076 57.201 56.100 0.042 0.000 0.973 490 R CB -0.130 30.200 30.300 0.049 0.000 0.869 490 R HN 0.285 nan 8.270 nan 0.000 0.440 491 K N 1.077 121.529 120.400 0.087 0.000 2.025 491 K HA -0.100 4.220 4.320 -0.001 0.000 0.207 491 K C 1.836 178.575 176.600 0.232 0.000 1.049 491 K CA 1.201 57.572 56.287 0.140 0.000 0.933 491 K CB 0.030 32.578 32.500 0.079 0.000 0.714 491 K HN 0.116 nan 8.250 nan 0.000 0.438 492 L N -0.348 120.934 121.223 0.099 0.000 2.418 492 L HA 0.132 4.471 4.340 -0.001 0.000 0.218 492 L C 0.828 177.572 176.870 -0.210 0.000 1.125 492 L CA 0.460 55.338 54.840 0.065 0.000 0.835 492 L CB 0.080 42.164 42.059 0.043 0.000 0.953 492 L HN 0.589 nan 8.230 nan 0.000 0.454 493 G N 1.030 109.586 108.800 -0.406 0.000 2.303 493 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.260 493 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.260 493 G C -0.254 174.495 174.900 -0.251 0.000 1.106 493 G CA -0.140 44.547 45.100 -0.689 0.000 0.900 493 G HN 0.059 nan 8.290 nan 0.000 0.495 494 V N 0.676 120.541 119.914 -0.081 0.000 2.481 494 V HA 0.482 4.601 4.120 -0.001 0.000 0.286 494 V C -1.175 174.982 176.094 0.104 0.000 1.042 494 V CA -1.703 60.639 62.300 0.071 0.000 0.928 494 V CB 1.678 33.587 31.823 0.143 0.000 0.986 494 V HN 0.229 nan 8.190 nan 0.000 0.462 495 P HA 0.124 nan 4.420 nan 0.000 0.267 495 P C -2.434 174.930 177.300 0.106 0.000 1.201 495 P CA -0.551 62.518 63.100 -0.051 0.000 0.775 495 P CB -0.068 31.405 31.700 -0.378 0.000 0.854 496 P HA 0.051 nan 4.420 nan 0.000 0.277 496 P C 0.690 178.118 177.300 0.215 0.000 1.271 496 P CA -0.433 62.743 63.100 0.127 0.000 0.795 496 P CB 0.657 32.386 31.700 0.049 0.000 1.101 497 L N 1.780 123.145 121.223 0.237 0.000 1.997 497 L HA -0.240 4.099 4.340 -0.001 0.000 0.216 497 L C 2.816 179.834 176.870 0.247 0.000 1.074 497 L CA 2.219 57.225 54.840 0.278 0.000 0.763 497 L CB -1.278 40.889 42.059 0.181 0.000 0.890 497 L HN 0.359 nan 8.230 nan 0.000 0.434 498 R N -1.005 119.577 120.500 0.138 0.000 2.119 498 R HA -0.176 4.163 4.340 -0.001 0.000 0.246 498 R C 1.926 178.250 176.300 0.040 0.000 1.146 498 R CA 1.960 58.115 56.100 0.092 0.000 0.962 498 R CB -1.725 28.578 30.300 0.006 0.000 0.863 498 R HN 0.411 nan 8.270 nan 0.000 0.442 499 V N 0.525 120.402 119.914 -0.063 0.000 2.270 499 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 499 V C 2.186 178.218 176.094 -0.104 0.000 1.043 499 V CA 1.910 64.090 62.300 -0.200 0.000 1.014 499 V CB -0.756 30.827 31.823 -0.400 0.000 0.645 499 V HN 0.366 nan 8.190 nan 0.000 0.447 500 W N 0.208 121.598 121.300 0.150 0.000 2.338 500 W HA -0.160 4.499 4.660 -0.001 0.000 0.304 500 W C 2.771 179.488 176.519 0.330 0.000 1.212 500 W CA 1.653 59.135 57.345 0.229 0.000 1.264 500 W CB -0.307 29.293 29.460 0.233 0.000 1.142 500 W HN 0.062 nan 8.180 nan 0.000 0.512 501 R N -0.386 120.452 120.500 0.563 0.000 2.091 501 R HA -0.210 4.129 4.340 -0.001 0.000 0.238 501 R C 1.931 178.376 176.300 0.242 0.000 1.136 501 R CA 2.056 58.447 56.100 0.485 0.000 0.959 501 R CB -0.659 29.905 30.300 0.441 0.000 0.856 501 R HN 0.202 nan 8.270 nan 0.000 0.437 502 H N 0.095 119.218 119.070 0.089 0.000 2.290 502 H HA -0.047 4.509 4.556 -0.001 0.000 0.298 502 H C 2.194 177.506 175.328 -0.026 0.000 1.087 502 H CA 2.257 58.308 56.048 0.004 0.000 1.291 502 H CB 0.040 29.788 29.762 -0.023 0.000 1.369 502 H HN 0.188 nan 8.280 nan 0.000 0.492 503 R N -0.257 120.319 120.500 0.125 0.000 2.096 503 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 503 R C 2.480 178.754 176.300 -0.044 0.000 1.127 503 R CA 0.938 57.066 56.100 0.046 0.000 0.968 503 R CB -0.226 30.131 30.300 0.095 0.000 0.861 503 R HN 0.295 nan 8.270 nan 0.000 0.440 504 A N 1.511 124.314 122.820 -0.028 0.000 1.902 504 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 504 A C 2.075 179.400 177.584 -0.433 0.000 1.181 504 A CA 1.170 53.010 52.037 -0.328 0.000 0.623 504 A CB -0.346 18.436 19.000 -0.363 0.000 0.818 504 A HN 0.212 nan 8.150 nan 0.000 0.443 505 R N -0.511 119.817 120.500 -0.287 0.000 2.091 505 R HA -0.123 4.217 4.340 -0.001 0.000 0.238 505 R C 2.653 178.816 176.300 -0.228 0.000 1.136 505 R CA 1.546 57.491 56.100 -0.258 0.000 0.959 505 R CB -0.588 29.577 30.300 -0.225 0.000 0.856 505 R HN 0.592 nan 8.270 nan 0.000 0.437 506 S N 0.538 116.121 115.700 -0.195 0.000 2.348 506 S HA -0.113 4.356 4.470 -0.001 0.000 0.221 506 S C 2.115 176.611 174.600 -0.173 0.000 1.033 506 S CA 1.440 59.548 58.200 -0.152 0.000 1.010 506 S CB -0.186 62.949 63.200 -0.108 0.000 0.891 506 S HN 0.121 nan 8.310 nan 0.000 0.442 507 V N 2.440 122.205 119.914 -0.248 0.000 2.343 507 V HA -0.128 3.992 4.120 -0.001 0.000 0.247 507 V C 2.754 178.656 176.094 -0.320 0.000 1.051 507 V CA 2.235 64.360 62.300 -0.291 0.000 1.036 507 V CB -0.862 30.683 31.823 -0.463 0.000 0.654 507 V HN 0.526 nan 8.190 nan 0.000 0.451 508 R N 0.362 120.604 120.500 -0.430 0.000 2.073 508 R HA -0.180 4.159 4.340 -0.001 0.000 0.234 508 R C 2.304 178.526 176.300 -0.130 0.000 1.134 508 R CA 1.849 57.796 56.100 -0.256 0.000 0.952 508 R CB -0.512 29.642 30.300 -0.244 0.000 0.850 508 R HN 0.461 nan 8.270 nan 0.000 0.433 509 A N 1.021 123.760 122.820 -0.135 0.000 1.902 509 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 509 A C 2.206 179.755 177.584 -0.059 0.000 1.181 509 A CA 1.585 53.569 52.037 -0.089 0.000 0.623 509 A CB -0.439 18.505 19.000 -0.093 0.000 0.818 509 A HN 0.396 nan 8.150 nan 0.000 0.443 510 R N -0.561 119.902 120.500 -0.061 0.000 2.081 510 R HA -0.004 4.336 4.340 -0.001 0.000 0.235 510 R C 2.036 178.337 176.300 0.002 0.000 1.131 510 R CA 1.397 57.480 56.100 -0.027 0.000 0.960 510 R CB -0.484 29.800 30.300 -0.027 0.000 0.856 510 R HN 0.507 nan 8.270 nan 0.000 0.436 511 L N 0.430 121.660 121.223 0.010 0.000 2.056 511 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 511 L C 2.273 179.166 176.870 0.038 0.000 1.078 511 L CA 1.150 56.024 54.840 0.057 0.000 0.749 511 L CB -0.421 41.693 42.059 0.091 0.000 0.901 511 L HN 0.201 nan 8.230 nan 0.000 0.433 512 L N -0.958 120.271 121.223 0.010 0.000 2.079 512 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 512 L C 2.680 179.553 176.870 0.004 0.000 1.081 512 L CA 1.050 55.891 54.840 0.002 0.000 0.752 512 L CB -0.577 41.469 42.059 -0.021 0.000 0.896 512 L HN 0.238 nan 8.230 nan 0.000 0.433 513 S N -0.655 115.046 115.700 0.001 0.000 2.368 513 S HA -0.258 4.212 4.470 -0.001 0.000 0.224 513 S C 1.896 176.504 174.600 0.014 0.000 1.029 513 S CA 1.188 59.389 58.200 0.002 0.000 0.988 513 S CB -0.219 62.979 63.200 -0.003 0.000 0.838 513 S HN 0.358 nan 8.310 nan 0.000 0.462 514 Q N 0.818 120.633 119.800 0.025 0.000 2.112 514 Q HA 0.057 4.397 4.340 -0.001 0.000 0.206 514 Q C 1.036 177.057 176.000 0.034 0.000 0.987 514 Q CA 1.309 57.134 55.803 0.036 0.000 0.858 514 Q CB -0.497 28.275 28.738 0.056 0.000 0.905 514 Q HN 0.603 nan 8.270 nan 0.000 0.420 515 G N -2.963 105.858 108.800 0.034 0.000 2.728 515 G HA2 0.083 4.042 3.960 -0.001 0.000 0.294 515 G HA3 0.083 4.042 3.960 -0.001 0.000 0.294 515 G C 0.499 175.423 174.900 0.040 0.000 1.342 515 G CA -0.317 44.801 45.100 0.031 0.000 0.866 515 G HN 1.072 nan 8.290 nan 0.000 0.534 516 G N -0.284 108.537 108.800 0.034 0.000 2.652 516 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.318 516 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.318 516 G C 1.465 176.391 174.900 0.044 0.000 1.295 516 G CA 1.857 46.978 45.100 0.035 0.000 0.999 516 G HN 1.502 nan 8.290 nan 0.000 0.548 517 R N 0.403 120.931 120.500 0.048 0.000 2.083 517 R HA -0.053 4.287 4.340 -0.001 0.000 0.237 517 R C 3.174 179.525 176.300 0.084 0.000 1.137 517 R CA 2.172 58.306 56.100 0.057 0.000 0.951 517 R CB -1.054 29.285 30.300 0.065 0.000 0.851 517 R HN 0.736 nan 8.270 nan 0.000 0.434 518 A N 1.569 124.450 122.820 0.101 0.000 1.908 518 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 518 A C 2.458 180.104 177.584 0.105 0.000 1.181 518 A CA 1.906 54.023 52.037 0.133 0.000 0.627 518 A CB -0.603 18.471 19.000 0.124 0.000 0.818 518 A HN 0.404 nan 8.150 nan 0.000 0.445 519 A N -1.123 121.741 122.820 0.073 0.000 1.933 519 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 519 A C 2.272 179.895 177.584 0.065 0.000 1.175 519 A CA 2.218 54.288 52.037 0.055 0.000 0.628 519 A CB -1.219 17.804 19.000 0.039 0.000 0.814 519 A HN 0.444 nan 8.150 nan 0.000 0.444 520 T N -0.710 113.890 114.554 0.076 0.000 2.746 520 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 520 T C 1.899 176.657 174.700 0.097 0.000 1.039 520 T CA 1.568 63.736 62.100 0.113 0.000 1.142 520 T CB -0.691 68.188 68.868 0.020 0.000 0.866 520 T HN 0.588 nan 8.240 nan 0.000 0.444 521 C N 1.348 120.672 119.300 0.041 0.000 2.432 521 C HA 0.036 4.496 4.460 -0.001 0.000 0.277 521 C C 3.129 178.094 174.990 -0.042 0.000 1.249 521 C CA 0.523 59.513 59.018 -0.047 0.000 1.725 521 C CB -1.532 26.200 27.740 -0.013 0.000 2.028 521 C HN 0.726 nan 8.230 nan 0.000 0.477 522 G N 0.095 108.934 108.800 0.065 0.000 2.418 522 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.217 522 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.217 522 G C 1.647 176.571 174.900 0.041 0.000 1.158 522 G CA 1.142 46.321 45.100 0.132 0.000 0.771 522 G HN 0.635 nan 8.290 nan 0.000 0.545 523 K N -0.760 119.628 120.400 -0.020 0.000 2.002 523 K HA -0.101 4.219 4.320 -0.001 0.000 0.209 523 K C 2.267 178.684 176.600 -0.304 0.000 1.048 523 K CA 1.288 57.485 56.287 -0.149 0.000 0.930 523 K CB -0.287 32.117 32.500 -0.160 0.000 0.714 523 K HN 0.393 nan 8.250 nan 0.000 0.438 524 Y N 0.938 121.033 120.300 -0.341 0.000 2.176 524 Y HA -0.038 4.512 4.550 -0.001 0.000 0.291 524 Y C 2.153 177.732 175.900 -0.534 0.000 1.122 524 Y CA 0.872 58.590 58.100 -0.636 0.000 1.128 524 Y CB -0.311 37.445 38.460 -1.174 0.000 1.005 524 Y HN -0.042 nan 8.280 nan 0.000 0.509 525 L N -1.620 119.402 121.223 -0.336 0.000 2.131 525 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 525 L C 0.803 177.316 176.870 -0.594 0.000 1.092 525 L CA 1.413 55.982 54.840 -0.450 0.000 0.759 525 L CB -0.402 41.106 42.059 -0.918 0.000 0.903 525 L HN 0.187 nan 8.230 nan 0.000 0.435 526 F N -1.781 118.081 119.950 -0.146 0.000 2.735 526 F HA 0.175 4.701 4.527 -0.001 0.000 0.304 526 F C 1.646 177.098 175.800 -0.579 0.000 1.119 526 F CA -0.417 57.281 58.000 -0.502 0.000 1.280 526 F CB -0.863 37.860 39.000 -0.462 0.000 0.994 526 F HN 0.016 nan 8.300 nan 0.000 0.520 527 N N 0.953 119.549 118.700 -0.174 0.000 2.348 527 N HA -0.186 4.553 4.740 -0.001 0.000 0.185 527 N C 1.796 177.273 175.510 -0.056 0.000 1.019 527 N CA 1.416 54.395 53.050 -0.118 0.000 0.880 527 N CB -0.063 38.378 38.487 -0.077 0.000 0.965 527 N HN 0.587 nan 8.380 nan 0.000 0.437 528 W N -0.326 121.023 121.300 0.081 0.000 2.800 528 W HA 0.228 4.888 4.660 -0.000 0.000 0.249 528 W C 1.435 178.016 176.519 0.104 0.000 1.294 528 W CA 0.391 57.791 57.345 0.091 0.000 1.402 528 W CB -0.509 29.019 29.460 0.113 0.000 1.126 528 W HN -0.017 nan 8.180 nan 0.000 0.652 529 A N 1.828 124.286 122.820 -0.604 0.000 1.970 529 A HA 0.096 4.416 4.320 -0.001 0.000 0.216 529 A C 1.318 178.799 177.584 -0.172 0.000 1.170 529 A CA 1.324 53.048 52.037 -0.523 0.000 0.645 529 A CB -0.993 17.533 19.000 -0.789 0.000 0.816 529 A HN 0.100 nan 8.150 nan 0.000 0.447 530 V N -1.904 117.924 119.914 -0.143 0.000 2.904 530 V HA 0.328 4.447 4.120 -0.001 0.000 0.305 530 V C 1.100 177.179 176.094 -0.026 0.000 1.067 530 V CA -0.143 62.107 62.300 -0.084 0.000 1.044 530 V CB 1.300 33.066 31.823 -0.094 0.000 1.050 530 V HN 0.571 nan 8.190 nan 0.000 0.475 531 K N 0.619 121.005 120.400 -0.023 0.000 2.167 531 K HA 0.060 4.380 4.320 -0.001 0.000 0.203 531 K C 0.592 177.183 176.600 -0.014 0.000 1.052 531 K CA 1.052 57.335 56.287 -0.006 0.000 0.956 531 K CB -0.187 32.309 32.500 -0.008 0.000 0.735 531 K HN 0.649 nan 8.250 nan 0.000 0.451 532 T N 2.478 117.016 114.554 -0.027 0.000 2.929 532 T HA 0.273 4.623 4.350 -0.001 0.000 0.331 532 T C -0.825 173.852 174.700 -0.038 0.000 1.120 532 T CA -0.742 61.340 62.100 -0.030 0.000 0.973 532 T CB 1.173 70.022 68.868 -0.033 0.000 1.036 532 T HN 0.049 nan 8.240 nan 0.000 0.502 533 K N 2.039 122.421 120.400 -0.031 0.000 2.285 533 K HA 0.381 4.701 4.320 -0.001 0.000 0.255 533 K C 0.207 176.774 176.600 -0.055 0.000 1.000 533 K CA -0.228 56.036 56.287 -0.038 0.000 0.887 533 K CB 0.197 32.687 32.500 -0.016 0.000 0.997 533 K HN 0.247 nan 8.250 nan 0.000 0.510 534 L N 0.685 121.859 121.223 -0.081 0.000 2.805 534 L HA 0.335 4.675 4.340 -0.001 0.000 0.242 534 L C 1.551 178.369 176.870 -0.088 0.000 1.180 534 L CA -0.107 54.674 54.840 -0.098 0.000 1.001 534 L CB 0.284 42.251 42.059 -0.153 0.000 1.864 534 L HN 0.712 nan 8.230 nan 0.000 0.551 535 K N -0.534 119.807 120.400 -0.098 0.000 2.141 535 K HA 0.237 4.556 4.320 -0.001 0.000 0.202 535 K C -0.581 175.970 176.600 -0.083 0.000 1.045 535 K CA -0.061 56.187 56.287 -0.065 0.000 0.971 535 K CB -0.005 32.470 32.500 -0.041 0.000 0.795 535 K HN 0.079 nan 8.250 nan 0.000 0.459 536 L N 2.722 123.834 121.223 -0.185 0.000 2.975 536 L HA -0.149 4.191 4.340 -0.001 0.000 0.628 536 L C -0.573 176.334 176.870 0.062 0.000 1.006 536 L CA 1.298 55.978 54.840 -0.267 0.000 1.321 536 L CB -1.845 40.052 42.059 -0.269 0.000 1.705 536 L HN 0.790 nan 8.230 nan 0.000 0.822 537 T N 1.542 116.202 114.554 0.176 0.000 2.942 537 T HA 0.891 5.240 4.350 -0.001 0.000 0.289 537 T C -2.514 172.323 174.700 0.228 0.000 1.044 537 T CA -2.344 59.861 62.100 0.175 0.000 1.023 537 T CB 2.068 70.997 68.868 0.101 0.000 1.123 537 T HN 0.240 nan 8.240 nan 0.000 0.512 538 P HA 0.126 nan 4.420 nan 0.000 0.264 538 P C -0.559 176.752 177.300 0.019 0.000 1.179 538 P CA 0.078 63.220 63.100 0.071 0.000 0.763 538 P CB 0.177 31.905 31.700 0.046 0.000 0.806 539 I N 5.574 126.104 120.570 -0.065 0.000 2.342 539 I HA 0.115 4.284 4.170 -0.001 0.000 0.291 539 I C -1.210 174.870 176.117 -0.061 0.000 1.010 539 I CA -2.034 59.197 61.300 -0.114 0.000 1.308 539 I CB 1.347 39.208 38.000 -0.231 0.000 1.400 539 I HN 0.327 nan 8.210 nan 0.000 0.488 540 P HA -0.236 nan 4.420 nan 0.000 0.216 540 P C 1.096 178.375 177.300 -0.034 0.000 1.157 540 P CA 1.287 64.371 63.100 -0.026 0.000 0.880 540 P CB 0.267 31.957 31.700 -0.016 0.000 0.791 541 A N -1.129 121.665 122.820 -0.044 0.000 2.238 541 A HA 0.315 4.635 4.320 -0.001 0.000 0.208 541 A C 2.075 179.623 177.584 -0.060 0.000 1.177 541 A CA 0.836 52.846 52.037 -0.045 0.000 0.804 541 A CB -1.107 17.870 19.000 -0.038 0.000 0.823 541 A HN 0.159 nan 8.150 nan 0.000 0.482 542 A N 0.684 123.463 122.820 -0.068 0.000 1.940 542 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 542 A C 2.457 179.990 177.584 -0.085 0.000 1.176 542 A CA 2.199 54.188 52.037 -0.079 0.000 0.631 542 A CB -0.736 18.222 19.000 -0.070 0.000 0.814 542 A HN 0.963 nan 8.150 nan 0.000 0.446 543 S N -0.861 114.799 115.700 -0.067 0.000 2.446 543 S HA -0.116 4.354 4.470 -0.001 0.000 0.225 543 S C 1.805 176.362 174.600 -0.072 0.000 1.016 543 S CA 0.893 59.053 58.200 -0.068 0.000 0.943 543 S CB -0.412 62.760 63.200 -0.047 0.000 0.786 543 S HN 0.671 nan 8.310 nan 0.000 0.508 544 Q N 0.787 120.549 119.800 -0.063 0.000 2.170 544 Q HA 0.101 4.441 4.340 -0.001 0.000 0.203 544 Q C 0.214 176.168 176.000 -0.076 0.000 0.976 544 Q CA 0.550 56.319 55.803 -0.057 0.000 0.858 544 Q CB -0.545 28.167 28.738 -0.043 0.000 0.907 544 Q HN 0.562 nan 8.270 nan 0.000 0.433 545 L N 1.921 123.080 121.223 -0.106 0.000 2.490 545 L HA -0.008 4.331 4.340 -0.001 0.000 0.274 545 L C 0.295 177.057 176.870 -0.181 0.000 1.201 545 L CA -0.120 54.630 54.840 -0.150 0.000 0.869 545 L CB 0.196 42.127 42.059 -0.213 0.000 1.123 545 L HN 0.027 nan 8.230 nan 0.000 0.484 546 D N 4.548 124.843 120.400 -0.174 0.000 2.485 546 D HA 0.216 4.856 4.640 -0.001 0.000 0.221 546 D C 0.278 176.414 176.300 -0.274 0.000 1.112 546 D CA -0.219 53.682 54.000 -0.164 0.000 0.911 546 D CB 0.788 41.538 40.800 -0.082 0.000 1.019 546 D HN 0.394 nan 8.370 nan 0.000 0.516 547 L N 2.586 123.562 121.223 -0.412 0.000 2.728 547 L HA 0.049 4.388 4.340 -0.001 0.000 0.235 547 L C 2.249 178.971 176.870 -0.246 0.000 1.197 547 L CA -0.261 54.152 54.840 -0.712 0.000 0.992 547 L CB -0.180 41.328 42.059 -0.918 0.000 1.263 547 L HN 0.223 nan 8.230 nan 0.000 0.484 548 S N 0.709 116.346 115.700 -0.105 0.000 2.392 548 S HA -0.206 4.263 4.470 -0.001 0.000 0.225 548 S C 1.718 176.356 174.600 0.064 0.000 1.041 548 S CA 1.401 59.594 58.200 -0.011 0.000 1.100 548 S CB -1.039 62.153 63.200 -0.013 0.000 1.029 548 S HN 0.449 nan 8.310 nan 0.000 0.424 549 G N -1.175 107.668 108.800 0.071 0.000 3.424 549 G HA2 0.282 4.241 3.960 -0.001 0.000 0.263 549 G HA3 0.282 4.241 3.960 -0.001 0.000 0.263 549 G C 0.325 175.346 174.900 0.201 0.000 1.310 549 G CA -0.437 44.718 45.100 0.093 0.000 1.089 549 G HN 0.508 nan 8.290 nan 0.000 0.534 550 W N -0.096 121.103 121.300 -0.169 0.000 2.481 550 W HA 0.367 5.027 4.660 -0.001 0.000 0.293 550 W C 0.278 176.391 176.519 -0.677 0.000 1.201 550 W CA 0.207 57.248 57.345 -0.506 0.000 1.328 550 W CB 0.122 29.105 29.460 -0.794 0.000 1.112 550 W HN 0.132 nan 8.180 nan 0.000 0.546 551 F N -0.296 119.819 119.950 0.276 0.000 2.523 551 F HA 0.304 4.830 4.527 -0.001 0.000 0.322 551 F C 0.452 176.380 175.800 0.214 0.000 1.361 551 F CA -0.558 57.594 58.000 0.254 0.000 1.151 551 F CB -0.012 39.104 39.000 0.193 0.000 1.391 551 F HN -0.394 nan 8.300 nan 0.000 0.566 552 V N -0.091 120.027 119.914 0.340 0.000 3.090 552 V HA 0.635 4.755 4.120 -0.001 0.000 0.237 552 V C 0.810 177.045 176.094 0.235 0.000 1.209 552 V CA 0.593 63.038 62.300 0.241 0.000 1.209 552 V CB 0.528 32.473 31.823 0.204 0.000 0.971 552 V HN 0.410 nan 8.190 nan 0.000 0.477 553 A N -0.585 122.338 122.820 0.172 0.000 2.602 553 A HA 0.785 5.105 4.320 -0.001 0.000 0.290 553 A C -0.280 176.948 177.584 -0.594 0.000 1.114 553 A CA 0.083 52.065 52.037 -0.093 0.000 0.683 553 A CB 1.067 19.892 19.000 -0.291 0.000 1.281 553 A HN 0.393 nan 8.150 nan 0.000 0.416 554 G N -1.251 106.856 108.800 -1.155 0.000 2.400 554 G HA2 0.540 4.500 3.960 -0.001 0.000 0.301 554 G HA3 0.540 4.500 3.960 -0.001 0.000 0.301 554 G C -0.952 173.265 174.900 -1.138 0.000 1.154 554 G CA -0.079 43.982 45.100 -1.731 0.000 0.852 554 G HN 0.598 nan 8.290 nan 0.000 0.511 555 Y N 0.663 120.758 120.300 -0.341 0.000 2.750 555 Y HA 0.282 4.832 4.550 -0.000 0.000 0.247 555 Y C 1.208 177.047 175.900 -0.102 0.000 1.098 555 Y CA -0.890 57.117 58.100 -0.154 0.000 1.120 555 Y CB 0.545 38.959 38.460 -0.076 0.000 1.210 555 Y HN 0.502 nan 8.280 nan 0.000 0.601 556 S N 1.046 116.729 115.700 -0.028 0.000 2.670 556 S HA 0.307 4.777 4.470 -0.001 0.000 0.308 556 S C 1.424 176.055 174.600 0.052 0.000 1.232 556 S CA 1.490 59.705 58.200 0.025 0.000 1.126 556 S CB -0.287 62.929 63.200 0.026 0.000 0.897 556 S HN 1.081 nan 8.310 nan 0.000 0.508 557 G N 3.647 112.480 108.800 0.054 0.000 2.184 557 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.264 557 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.264 557 G C 0.804 175.744 174.900 0.067 0.000 0.975 557 G CA 0.325 45.459 45.100 0.057 0.000 0.642 557 G HN 1.296 nan 8.290 nan 0.000 0.536 558 G N -0.089 108.760 108.800 0.081 0.000 2.920 558 G HA2 0.361 4.321 3.960 -0.001 0.000 0.208 558 G HA3 0.361 4.321 3.960 -0.001 0.000 0.208 558 G C 0.518 175.444 174.900 0.044 0.000 1.159 558 G CA 1.110 46.272 45.100 0.103 0.000 0.784 558 G HN 1.266 nan 8.290 nan 0.000 0.535 559 D N -0.511 119.886 120.400 -0.005 0.000 2.697 559 D HA -0.168 4.472 4.640 -0.001 0.000 0.238 559 D C -0.098 176.140 176.300 -0.104 0.000 1.152 559 D CA 0.339 54.307 54.000 -0.054 0.000 0.666 559 D CB -1.105 39.674 40.800 -0.035 0.000 1.037 559 D HN 0.090 nan 8.370 nan 0.000 0.423 560 I N 1.370 121.843 120.570 -0.161 0.000 2.441 560 I HA 0.411 4.580 4.170 -0.001 0.000 0.295 560 I C 0.065 175.956 176.117 -0.378 0.000 0.994 560 I CA -0.737 60.358 61.300 -0.342 0.000 1.144 560 I CB 1.219 38.880 38.000 -0.565 0.000 1.314 560 I HN 0.129 nan 8.210 nan 0.000 0.445 561 Y N 5.583 125.508 120.300 -0.626 0.000 2.536 561 Y HA 0.560 5.110 4.550 -0.001 0.000 0.347 561 Y C -1.185 174.243 175.900 -0.787 0.000 1.000 561 Y CA -0.666 57.080 58.100 -0.590 0.000 1.051 561 Y CB 1.734 39.988 38.460 -0.344 0.000 1.259 561 Y HN 0.599 nan 8.280 nan 0.000 0.468 562 H N 2.014 120.226 119.070 -1.430 0.000 3.083 562 H HA 0.326 4.882 4.556 -0.001 0.000 0.339 562 H C -1.310 173.347 175.328 -1.119 0.000 1.020 562 H CA -0.814 54.588 56.048 -1.078 0.000 1.360 562 H CB 1.828 31.016 29.762 -0.958 0.000 1.811 562 H HN 0.558 nan 8.280 nan 0.000 0.493 563 S N 3.533 118.915 115.700 -0.530 0.000 2.452 563 S HA 0.252 4.721 4.470 -0.001 0.000 0.284 563 S C -0.005 174.597 174.600 0.004 0.000 1.171 563 S CA -0.739 57.335 58.200 -0.211 0.000 1.064 563 S CB 0.236 63.468 63.200 0.054 0.000 0.967 563 S HN 0.415 nan 8.310 nan 0.000 0.484 564 L N 0.000 121.284 121.223 0.102 0.000 2.949 564 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 564 L CA 0.000 54.946 54.840 0.177 0.000 0.813 564 L CB 0.000 42.209 42.059 0.250 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502