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 1mok_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS cPHNAcVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.665 176.600 0.108 0.000 0.988 2 K CA 0.000 56.331 56.287 0.073 0.000 0.838 2 K CB 0.000 32.530 32.500 0.050 0.000 1.064 3 V N 2.305 122.284 119.914 0.109 0.000 2.409 3 V HA 0.415 4.535 4.120 0.000 0.000 0.291 3 V C -1.334 174.903 176.094 0.238 0.000 1.020 3 V CA -0.529 61.854 62.300 0.139 0.000 0.848 3 V CB 1.204 33.044 31.823 0.028 0.000 0.990 3 V HN 0.400 nan 8.190 nan 0.000 0.430 4 W N 5.814 127.168 121.300 0.091 0.000 2.361 4 W HA 0.410 5.070 4.660 0.000 0.000 0.314 4 W C 0.066 176.685 176.519 0.167 0.000 1.041 4 W CA -1.414 55.992 57.345 0.102 0.000 1.241 4 W CB 0.882 30.398 29.460 0.095 0.000 1.279 4 W HN 0.678 nan 8.180 nan 0.000 0.436 5 N N 4.680 123.427 118.700 0.078 0.000 2.508 5 N HA 0.287 5.027 4.740 0.000 0.000 0.253 5 N C 0.890 176.105 175.510 -0.493 0.000 1.145 5 N CA 0.337 53.357 53.050 -0.050 0.000 0.973 5 N CB 0.721 39.272 38.487 0.106 0.000 1.305 5 N HN 0.588 nan 8.380 nan 0.000 0.506 6 A N 3.757 125.979 122.820 -0.997 0.000 2.208 6 A HA -0.018 4.302 4.320 0.000 0.000 0.209 6 A C 2.208 179.477 177.584 -0.526 0.000 1.161 6 A CA 0.027 51.365 52.037 -1.165 0.000 0.782 6 A CB -0.127 17.869 19.000 -1.674 0.000 0.816 6 A HN 0.638 nan 8.150 nan 0.000 0.477 7 R N 1.063 121.330 120.500 -0.389 0.000 2.191 7 R HA -0.200 4.140 4.340 0.000 0.000 0.248 7 R C -0.447 175.699 176.300 -0.256 0.000 1.127 7 R CA 2.040 57.973 56.100 -0.279 0.000 0.943 7 R CB -0.742 29.450 30.300 -0.179 0.000 0.891 7 R HN 0.605 nan 8.270 nan 0.000 0.439 8 N N 0.626 119.183 118.700 -0.238 0.000 3.114 8 N HA 0.117 4.857 4.740 0.000 0.000 0.289 8 N C -0.722 174.537 175.510 -0.419 0.000 1.519 8 N CA -0.124 52.752 53.050 -0.290 0.000 1.026 8 N CB 1.158 39.629 38.487 -0.026 0.000 1.306 8 N HN 0.071 nan 8.380 nan 0.000 0.495 9 D N -0.783 119.192 120.400 -0.708 0.000 2.331 9 D HA 0.032 4.672 4.640 0.000 0.000 0.300 9 D C -0.531 175.582 176.300 -0.312 0.000 1.090 9 D CA 0.286 54.092 54.000 -0.324 0.000 0.905 9 D CB 0.222 41.018 40.800 -0.006 0.000 1.600 9 D HN 0.300 nan 8.370 nan 0.000 0.511 10 H N 1.063 120.184 119.070 0.084 0.000 2.673 10 H HA -0.158 4.398 4.556 0.000 0.000 0.318 10 H C 0.113 175.519 175.328 0.131 0.000 0.998 10 H CA 0.371 56.500 56.048 0.136 0.000 1.045 10 H CB -2.151 27.677 29.762 0.111 0.000 1.623 10 H HN 0.242 nan 8.280 nan 0.000 0.359 11 L N 1.215 122.494 121.223 0.094 0.000 2.456 11 L HA 0.266 4.606 4.340 0.000 0.000 0.257 11 L C 1.373 178.328 176.870 0.142 0.000 1.162 11 L CA -0.326 54.454 54.840 -0.100 0.000 0.808 11 L CB 0.878 42.513 42.059 -0.707 0.000 1.136 11 L HN 0.281 nan 8.230 nan 0.000 0.466 12 T N 0.819 115.402 114.554 0.049 0.000 2.882 12 T HA 0.244 4.595 4.350 0.000 0.000 0.287 12 T C 1.665 176.429 174.700 0.106 0.000 1.014 12 T CA -0.413 61.711 62.100 0.040 0.000 1.049 12 T CB 1.062 69.916 68.868 -0.023 0.000 1.001 12 T HN 0.386 nan 8.240 nan 0.000 0.525 13 I N 1.908 122.417 120.570 -0.103 0.000 2.151 13 I HA -0.307 3.863 4.170 0.000 0.000 0.243 13 I C 2.184 178.383 176.117 0.136 0.000 1.080 13 I CA 1.725 63.049 61.300 0.041 0.000 1.339 13 I CB -0.478 37.409 38.000 -0.189 0.000 1.039 13 I HN 0.711 nan 8.210 nan 0.000 0.409 14 N N 0.342 119.062 118.700 0.033 0.000 2.084 14 N HA -0.222 4.518 4.740 0.000 0.000 0.190 14 N C 1.839 177.389 175.510 0.068 0.000 1.030 14 N CA 1.030 54.102 53.050 0.036 0.000 0.849 14 N CB -0.192 38.292 38.487 -0.006 0.000 1.012 14 N HN 0.430 nan 8.380 nan 0.000 0.423 15 Q N -0.084 119.740 119.800 0.039 0.000 2.096 15 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 15 Q C 1.675 177.702 176.000 0.045 0.000 0.982 15 Q CA 1.369 57.165 55.803 -0.012 0.000 0.850 15 Q CB -0.217 28.463 28.738 -0.097 0.000 0.901 15 Q HN 0.552 nan 8.270 nan 0.000 0.422 16 W N 0.490 121.858 121.300 0.113 0.000 2.355 16 W HA -0.200 4.461 4.660 0.001 0.000 0.309 16 W C 2.608 179.197 176.519 0.116 0.000 1.206 16 W CA 0.906 58.346 57.345 0.158 0.000 1.284 16 W CB -0.186 29.391 29.460 0.195 0.000 1.145 16 W HN 0.172 nan 8.180 nan 0.000 0.502 17 A N 0.138 123.162 122.820 0.339 0.000 1.908 17 A HA -0.286 4.035 4.320 0.000 0.000 0.218 17 A C 1.878 179.553 177.584 0.150 0.000 1.181 17 A CA 2.886 55.039 52.037 0.194 0.000 0.627 17 A CB -1.588 17.473 19.000 0.101 0.000 0.818 17 A HN 0.383 nan 8.150 nan 0.000 0.445 18 T N -2.499 112.124 114.554 0.116 0.000 2.770 18 T HA -0.141 4.209 4.350 0.000 0.000 0.263 18 T C 1.990 176.740 174.700 0.083 0.000 1.039 18 T CA 1.444 63.587 62.100 0.072 0.000 1.142 18 T CB -0.306 68.579 68.868 0.029 0.000 0.868 18 T HN 0.332 nan 8.240 nan 0.000 0.435 19 R N 1.427 121.982 120.500 0.091 0.000 2.091 19 R HA 0.120 4.461 4.340 0.000 0.000 0.238 19 R C 2.315 178.721 176.300 0.177 0.000 1.136 19 R CA 1.382 57.527 56.100 0.074 0.000 0.959 19 R CB -1.217 29.094 30.300 0.018 0.000 0.856 19 R HN 0.619 nan 8.270 nan 0.000 0.437 20 I N 0.261 120.997 120.570 0.277 0.000 2.179 20 I HA -0.282 3.888 4.170 0.000 0.000 0.242 20 I C 1.997 178.243 176.117 0.215 0.000 1.088 20 I CA 1.929 63.403 61.300 0.290 0.000 1.357 20 I CB -0.510 37.673 38.000 0.306 0.000 1.051 20 I HN 0.301 nan 8.210 nan 0.000 0.409 21 D N 0.952 121.452 120.400 0.166 0.000 2.106 21 D HA -0.246 4.394 4.640 0.000 0.000 0.191 21 D C 2.029 178.403 176.300 0.122 0.000 0.997 21 D CA 1.774 55.855 54.000 0.133 0.000 0.834 21 D CB 0.009 40.862 40.800 0.089 0.000 0.956 21 D HN 0.310 nan 8.370 nan 0.000 0.448 22 E N -0.283 119.974 120.200 0.095 0.000 2.049 22 E HA -0.187 4.164 4.350 0.000 0.000 0.198 22 E C 2.438 179.091 176.600 0.089 0.000 1.007 22 E CA 1.176 57.618 56.400 0.070 0.000 0.809 22 E CB -0.160 29.557 29.700 0.029 0.000 0.749 22 E HN 0.447 nan 8.360 nan 0.000 0.450 23 I N 0.523 121.161 120.570 0.113 0.000 2.127 23 I HA -0.277 3.893 4.170 0.000 0.000 0.241 23 I C 2.393 178.601 176.117 0.152 0.000 1.075 23 I CA 0.667 62.045 61.300 0.130 0.000 1.334 23 I CB -0.236 37.869 38.000 0.174 0.000 1.040 23 I HN 0.135 nan 8.210 nan 0.000 0.405 24 L N 0.549 121.886 121.223 0.190 0.000 2.129 24 L HA -0.236 4.104 4.340 0.000 0.000 0.212 24 L C 2.115 179.102 176.870 0.195 0.000 1.087 24 L CA 1.904 56.881 54.840 0.229 0.000 0.757 24 L CB -0.612 41.612 42.059 0.275 0.000 0.896 24 L HN 0.190 nan 8.230 nan 0.000 0.434 25 E N -1.280 119.011 120.200 0.151 0.000 2.460 25 E HA 0.309 4.659 4.350 0.000 0.000 0.200 25 E C 0.626 177.286 176.600 0.100 0.000 1.011 25 E CA 0.376 56.851 56.400 0.126 0.000 0.912 25 E CB 0.144 29.909 29.700 0.108 0.000 0.953 25 E HN 0.367 nan 8.360 nan 0.000 0.494 26 A N 1.589 124.465 122.820 0.093 0.000 2.546 26 A HA 0.116 4.437 4.320 0.000 0.000 0.243 26 A C -1.489 176.139 177.584 0.073 0.000 1.063 26 A CA -0.818 51.262 52.037 0.072 0.000 0.757 26 A CB 0.039 19.079 19.000 0.066 0.000 0.991 26 A HN 0.044 nan 8.150 nan 0.000 0.503 27 P HA -0.145 nan 4.420 nan 0.000 0.217 27 P C 0.784 178.116 177.300 0.052 0.000 1.150 27 P CA 1.524 64.657 63.100 0.056 0.000 0.832 27 P CB 0.038 31.765 31.700 0.046 0.000 0.787 28 D N -1.813 118.616 120.400 0.047 0.000 2.349 28 D HA 0.038 4.678 4.640 0.000 0.000 0.224 28 D C 1.312 177.641 176.300 0.049 0.000 1.029 28 D CA 0.917 54.943 54.000 0.043 0.000 0.879 28 D CB -0.413 40.409 40.800 0.037 0.000 0.906 28 D HN 0.288 nan 8.370 nan 0.000 0.528 29 G N -0.088 108.749 108.800 0.061 0.000 2.184 29 G HA2 -0.012 3.948 3.960 0.000 0.000 0.206 29 G HA3 -0.012 3.948 3.960 0.000 0.000 0.206 29 G C 0.786 175.735 174.900 0.082 0.000 0.995 29 G CA 0.202 45.344 45.100 0.069 0.000 0.651 29 G HN 1.179 nan 8.290 nan 0.000 0.511 30 G N -0.141 108.705 108.800 0.077 0.000 2.860 30 G HA2 0.260 4.220 3.960 0.000 0.000 0.553 30 G HA3 0.260 4.220 3.960 0.000 0.000 0.553 30 G C 0.047 175.004 174.900 0.095 0.000 1.439 30 G CA 0.816 45.966 45.100 0.084 0.000 0.879 30 G HN 1.887 nan 8.290 nan 0.000 0.545 31 E N -1.465 118.801 120.200 0.110 0.000 2.342 31 E HA 0.538 4.889 4.350 0.000 0.000 0.257 31 E C -0.168 176.563 176.600 0.219 0.000 1.150 31 E CA -0.827 55.663 56.400 0.150 0.000 0.926 31 E CB 1.253 31.042 29.700 0.148 0.000 1.074 31 E HN 0.581 nan 8.360 nan 0.000 0.449 32 V N 2.364 122.423 119.914 0.242 0.000 2.364 32 V HA 0.172 4.292 4.120 0.000 0.000 0.272 32 V C 0.298 176.607 176.094 0.360 0.000 1.036 32 V CA -0.526 61.927 62.300 0.255 0.000 0.880 32 V CB 0.569 32.505 31.823 0.189 0.000 0.991 32 V HN 0.543 nan 8.190 nan 0.000 0.460 33 I N 5.845 126.641 120.570 0.376 0.000 2.494 33 I HA 0.094 4.264 4.170 0.000 0.000 0.289 33 I C -0.515 175.737 176.117 0.224 0.000 1.106 33 I CA 0.151 61.663 61.300 0.354 0.000 1.369 33 I CB -0.092 38.168 38.000 0.433 0.000 1.410 33 I HN 0.595 nan 8.210 nan 0.000 0.523 34 Y N 7.754 128.010 120.300 -0.073 0.000 2.402 34 Y HA 0.349 4.900 4.550 0.000 0.000 0.332 34 Y C -0.288 175.476 175.900 -0.226 0.000 0.960 34 Y CA -1.091 56.957 58.100 -0.086 0.000 1.228 34 Y CB 0.815 39.259 38.460 -0.027 0.000 1.120 34 Y HN 0.570 nan 8.280 nan 0.000 0.491 35 N N 5.583 123.914 118.700 -0.615 0.000 2.746 35 N HA 0.416 5.156 4.740 0.000 0.000 0.250 35 N C -2.179 172.918 175.510 -0.688 0.000 1.146 35 N CA -0.445 52.186 53.050 -0.698 0.000 0.828 35 N CB 0.777 38.732 38.487 -0.887 0.000 1.158 35 N HN 0.341 nan 8.380 nan 0.000 0.519 36 V N -0.056 119.459 119.914 -0.666 0.000 2.638 36 V HA 0.541 4.661 4.120 0.000 0.000 0.306 36 V C -0.251 175.724 176.094 -0.197 0.000 1.052 36 V CA -1.036 61.035 62.300 -0.382 0.000 0.885 36 V CB 1.799 33.428 31.823 -0.322 0.000 0.999 36 V HN 0.439 nan 8.190 nan 0.000 0.424 37 D N 3.677 124.016 120.400 -0.102 0.000 2.346 37 D HA 0.061 4.701 4.640 0.000 0.000 0.267 37 D C 0.574 176.860 176.300 -0.023 0.000 1.320 37 D CA 0.249 54.212 54.000 -0.061 0.000 0.951 37 D CB 0.804 41.576 40.800 -0.047 0.000 1.079 37 D HN 0.812 nan 8.370 nan 0.000 0.509 38 E N 2.840 123.036 120.200 -0.007 0.000 2.296 38 E HA 0.076 4.426 4.350 0.000 0.000 0.196 38 E C 0.314 176.919 176.600 0.009 0.000 1.143 38 E CA -0.050 56.365 56.400 0.025 0.000 1.145 38 E CB 0.153 29.890 29.700 0.062 0.000 1.215 38 E HN 0.537 nan 8.360 nan 0.000 0.447 39 N N 0.080 118.774 118.700 -0.009 0.000 2.266 39 N HA -0.043 4.697 4.740 0.000 0.000 0.217 39 N C 0.047 175.542 175.510 -0.025 0.000 1.211 39 N CA -0.280 52.762 53.050 -0.012 0.000 0.881 39 N CB 0.742 39.223 38.487 -0.010 0.000 1.153 39 N HN 0.029 nan 8.380 nan 0.000 0.489 40 D N 2.492 122.870 120.400 -0.038 0.000 2.425 40 D HA 0.023 4.663 4.640 0.000 0.000 0.247 40 D C -1.309 174.949 176.300 -0.069 0.000 1.147 40 D CA -1.172 52.794 54.000 -0.055 0.000 0.879 40 D CB 1.490 42.246 40.800 -0.073 0.000 1.179 40 D HN 0.175 nan 8.370 nan 0.000 0.456 41 P HA -0.010 nan 4.420 nan 0.000 0.220 41 P C 0.348 177.602 177.300 -0.077 0.000 1.154 41 P CA 0.123 63.188 63.100 -0.058 0.000 0.837 41 P CB 0.227 31.904 31.700 -0.038 0.000 0.815 42 R N 1.551 122.005 120.500 -0.077 0.000 2.640 42 R HA 0.111 4.451 4.340 0.000 0.000 0.270 42 R C 0.296 176.511 176.300 -0.141 0.000 1.024 42 R CA -0.144 55.909 56.100 -0.079 0.000 1.085 42 R CB 0.454 30.722 30.300 -0.054 0.000 0.963 42 R HN 0.148 nan 8.270 nan 0.000 0.426 43 E N 2.391 122.528 120.200 -0.106 0.000 2.374 43 E HA 0.009 4.360 4.350 0.000 0.000 0.260 43 E C -0.875 175.669 176.600 -0.093 0.000 1.101 43 E CA -0.698 55.627 56.400 -0.124 0.000 0.907 43 E CB 0.501 30.185 29.700 -0.027 0.000 1.014 43 E HN 0.511 nan 8.360 nan 0.000 0.427 44 Y N 2.335 122.681 120.300 0.076 0.000 2.569 44 Y HA -0.058 4.492 4.550 0.000 0.000 0.332 44 Y C 1.197 177.142 175.900 0.074 0.000 1.120 44 Y CA 0.224 58.372 58.100 0.080 0.000 1.416 44 Y CB 0.489 39.007 38.460 0.096 0.000 1.210 44 Y HN 0.551 nan 8.280 nan 0.000 0.528 45 D N 2.368 122.910 120.400 0.236 0.000 2.312 45 D HA 0.138 4.778 4.640 0.000 0.000 0.211 45 D C 0.139 176.516 176.300 0.128 0.000 0.964 45 D CA 0.948 55.040 54.000 0.153 0.000 0.877 45 D CB 0.387 41.265 40.800 0.129 0.000 0.924 45 D HN 0.545 nan 8.370 nan 0.000 0.515 46 A N 0.265 123.172 122.820 0.145 0.000 2.580 46 A HA 0.457 4.777 4.320 0.000 0.000 0.301 46 A C -1.430 176.132 177.584 -0.037 0.000 1.054 46 A CA -0.633 51.395 52.037 -0.016 0.000 0.751 46 A CB 0.649 19.523 19.000 -0.209 0.000 1.275 46 A HN 0.012 nan 8.150 nan 0.000 0.403 47 I N 2.022 122.512 120.570 -0.134 0.000 2.362 47 I HA 0.415 4.585 4.170 0.000 0.000 0.289 47 I C -1.089 174.931 176.117 -0.162 0.000 0.994 47 I CA -0.452 60.771 61.300 -0.129 0.000 1.158 47 I CB 1.363 39.282 38.000 -0.136 0.000 1.315 47 I HN 0.565 nan 8.210 nan 0.000 0.451 48 F N 6.430 126.322 119.950 -0.097 0.000 2.421 48 F HA 0.290 4.817 4.527 0.000 0.000 0.358 48 F C 0.493 176.260 175.800 -0.054 0.000 1.115 48 F CA -0.594 57.376 58.000 -0.050 0.000 1.160 48 F CB 0.524 39.502 39.000 -0.038 0.000 1.123 48 F HN 0.192 nan 8.300 nan 0.000 0.508 49 I N 4.083 124.697 120.570 0.074 0.000 2.311 49 I HA 0.367 4.537 4.170 0.000 0.000 0.297 49 I C 0.644 176.803 176.117 0.071 0.000 1.131 49 I CA -0.235 61.090 61.300 0.042 0.000 1.289 49 I CB -0.664 37.344 38.000 0.013 0.000 1.446 49 I HN 0.697 nan 8.210 nan 0.000 0.524 50 G N 4.027 112.866 108.800 0.065 0.000 3.226 50 G HA2 0.053 4.013 3.960 0.000 0.000 0.685 50 G HA3 0.053 4.013 3.960 0.000 0.000 0.685 50 G C 0.057 175.004 174.900 0.078 0.000 1.207 50 G CA -0.544 44.592 45.100 0.061 0.000 0.877 50 G HN 0.892 nan 8.290 nan 0.000 0.585 51 G N 0.665 109.480 108.800 0.024 0.000 4.098 51 G HA2 0.679 4.639 3.960 0.000 0.000 0.300 51 G HA3 0.679 4.639 3.960 0.000 0.000 0.300 51 G C 0.864 175.764 174.900 -0.001 0.000 1.187 51 G CA 0.910 45.995 45.100 -0.025 0.000 0.964 51 G HN 1.270 nan 8.290 nan 0.000 0.559 52 G N 0.066 108.907 108.800 0.069 0.000 2.714 52 G HA2 0.474 4.434 3.960 0.000 0.000 0.197 52 G HA3 0.474 4.434 3.960 0.000 0.000 0.197 52 G C 1.554 176.510 174.900 0.094 0.000 1.449 52 G CA 0.478 45.643 45.100 0.108 0.000 1.065 52 G HN 0.413 nan 8.290 nan 0.000 0.575 53 A N -0.265 122.619 122.820 0.107 0.000 1.870 53 A HA -0.025 4.296 4.320 0.000 0.000 0.219 53 A C 2.772 180.414 177.584 0.097 0.000 1.224 53 A CA 3.662 55.756 52.037 0.094 0.000 0.650 53 A CB -1.283 17.751 19.000 0.058 0.000 0.836 53 A HN 1.380 nan 8.150 nan 0.000 0.454 54 A N -1.114 121.752 122.820 0.076 0.000 1.873 54 A HA 0.200 4.520 4.320 0.000 0.000 0.215 54 A C 2.495 180.164 177.584 0.142 0.000 1.186 54 A CA 2.020 54.111 52.037 0.090 0.000 0.616 54 A CB -1.555 17.496 19.000 0.085 0.000 0.823 54 A HN 0.900 nan 8.150 nan 0.000 0.442 55 G N -0.350 108.531 108.800 0.135 0.000 2.587 55 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 55 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 55 G C 1.786 176.578 174.900 -0.180 0.000 1.240 55 G CA 1.104 46.264 45.100 0.101 0.000 0.794 55 G HN 0.408 nan 8.290 nan 0.000 0.580 56 R N -0.091 120.349 120.500 -0.100 0.000 2.122 56 R HA -0.150 4.190 4.340 0.000 0.000 0.236 56 R C 2.372 178.584 176.300 -0.147 0.000 1.129 56 R CA 1.959 57.971 56.100 -0.148 0.000 0.925 56 R CB -1.235 29.028 30.300 -0.063 0.000 0.850 56 R HN 0.345 nan 8.270 nan 0.000 0.431 57 F N 0.507 120.380 119.950 -0.129 0.000 2.063 57 F HA -0.216 4.311 4.527 0.001 0.000 0.298 57 F C 2.413 178.153 175.800 -0.100 0.000 1.109 57 F CA 2.271 60.220 58.000 -0.084 0.000 1.212 57 F CB -1.006 37.961 39.000 -0.056 0.000 0.973 57 F HN 0.276 nan 8.300 nan 0.000 0.480 58 G N -0.963 107.911 108.800 0.123 0.000 2.553 58 G HA2 -0.332 3.628 3.960 0.000 0.000 0.218 58 G HA3 -0.332 3.628 3.960 0.000 0.000 0.218 58 G C 1.842 176.588 174.900 -0.256 0.000 1.195 58 G CA 1.313 46.462 45.100 0.081 0.000 0.779 58 G HN 0.430 nan 8.290 nan 0.000 0.577 59 S N 1.199 116.321 115.700 -0.964 0.000 2.365 59 S HA -0.112 4.358 4.470 0.000 0.000 0.225 59 S C 2.792 177.230 174.600 -0.270 0.000 1.039 59 S CA 1.519 59.254 58.200 -0.775 0.000 1.033 59 S CB -0.568 62.163 63.200 -0.782 0.000 0.887 59 S HN 0.670 nan 8.310 nan 0.000 0.447 60 A N 0.168 122.840 122.820 -0.247 0.000 1.933 60 A HA -0.130 4.191 4.320 0.000 0.000 0.218 60 A C 1.990 179.497 177.584 -0.128 0.000 1.175 60 A CA 1.551 53.465 52.037 -0.204 0.000 0.628 60 A CB -0.861 17.954 19.000 -0.308 0.000 0.814 60 A HN 0.560 nan 8.150 nan 0.000 0.444 61 Y N -0.467 119.740 120.300 -0.155 0.000 2.220 61 Y HA -0.036 4.514 4.550 0.000 0.000 0.291 61 Y C 2.103 178.008 175.900 0.008 0.000 1.129 61 Y CA 1.601 59.673 58.100 -0.046 0.000 1.161 61 Y CB -0.153 38.344 38.460 0.062 0.000 0.997 61 Y HN 0.284 nan 8.280 nan 0.000 0.522 62 L N -0.327 121.047 121.223 0.252 0.000 2.027 62 L HA -0.199 4.141 4.340 0.000 0.000 0.206 62 L C 2.626 179.555 176.870 0.099 0.000 1.074 62 L CA 1.546 56.516 54.840 0.217 0.000 0.745 62 L CB -0.311 41.914 42.059 0.277 0.000 0.898 62 L HN 0.079 nan 8.230 nan 0.000 0.433 63 R N 0.467 120.992 120.500 0.042 0.000 2.103 63 R HA -0.185 4.155 4.340 0.000 0.000 0.242 63 R C 2.030 178.308 176.300 -0.037 0.000 1.142 63 R CA 1.811 57.911 56.100 0.001 0.000 0.960 63 R CB -0.725 29.551 30.300 -0.040 0.000 0.858 63 R HN 0.495 nan 8.270 nan 0.000 0.439 64 A N -0.423 122.343 122.820 -0.091 0.000 2.121 64 A HA -0.058 4.263 4.320 0.000 0.000 0.218 64 A C 1.893 179.411 177.584 -0.111 0.000 1.154 64 A CA 1.364 53.315 52.037 -0.143 0.000 0.679 64 A CB -0.375 18.463 19.000 -0.270 0.000 0.795 64 A HN 0.417 nan 8.150 nan 0.000 0.458 65 M N -1.801 117.768 119.600 -0.051 0.000 2.502 65 M HA 0.196 4.676 4.480 0.000 0.000 0.243 65 M C 1.371 177.678 176.300 0.011 0.000 1.130 65 M CA 0.868 56.166 55.300 -0.004 0.000 1.055 65 M CB 0.468 33.110 32.600 0.070 0.000 1.457 65 M HN 0.580 nan 8.290 nan 0.000 0.488 66 G N -0.011 108.792 108.800 0.005 0.000 2.184 66 G HA2 -0.156 3.804 3.960 0.000 0.000 0.206 66 G HA3 -0.156 3.804 3.960 0.000 0.000 0.206 66 G C 0.326 175.242 174.900 0.027 0.000 0.995 66 G CA -0.398 44.707 45.100 0.009 0.000 0.651 66 G HN 0.596 nan 8.290 nan 0.000 0.511 67 G N -0.546 108.284 108.800 0.050 0.000 2.580 67 G HA2 0.559 4.519 3.960 0.000 0.000 0.278 67 G HA3 0.559 4.519 3.960 0.000 0.000 0.278 67 G C -0.075 174.878 174.900 0.087 0.000 1.212 67 G CA -0.032 45.113 45.100 0.075 0.000 0.939 67 G HN 0.547 nan 8.290 nan 0.000 0.513 68 R N 0.077 120.650 120.500 0.123 0.000 2.387 68 R HA 0.480 4.820 4.340 0.000 0.000 0.314 68 R C -0.652 175.853 176.300 0.342 0.000 0.958 68 R CA -0.614 55.590 56.100 0.173 0.000 0.846 68 R CB 1.205 31.553 30.300 0.080 0.000 1.147 68 R HN 0.656 nan 8.270 nan 0.000 0.447 69 Q N 3.294 123.294 119.800 0.335 0.000 2.528 69 Q HA 0.624 4.964 4.340 0.000 0.000 0.289 69 Q C -1.783 174.225 176.000 0.015 0.000 1.091 69 Q CA -1.001 54.967 55.803 0.275 0.000 0.797 69 Q CB 1.785 30.681 28.738 0.264 0.000 1.466 69 Q HN 0.444 nan 8.270 nan 0.000 0.436 70 L N 0.416 121.505 121.223 -0.224 0.000 2.482 70 L HA 0.689 5.029 4.340 0.000 0.000 0.263 70 L C -1.846 174.936 176.870 -0.146 0.000 0.957 70 L CA -0.549 54.025 54.840 -0.443 0.000 0.836 70 L CB 2.027 43.402 42.059 -1.141 0.000 1.324 70 L HN 0.872 nan 8.230 nan 0.000 0.406 71 I N 4.494 125.003 120.570 -0.101 0.000 2.562 71 I HA 0.702 4.872 4.170 0.000 0.000 0.301 71 I C -0.954 175.130 176.117 -0.055 0.000 1.003 71 I CA -1.065 60.225 61.300 -0.018 0.000 1.127 71 I CB 2.158 40.142 38.000 -0.026 0.000 1.304 71 I HN 0.291 nan 8.210 nan 0.000 0.446 72 V N 3.843 123.736 119.914 -0.035 0.000 2.760 72 V HA 0.512 4.632 4.120 0.000 0.000 0.309 72 V C -0.954 175.120 176.094 -0.033 0.000 1.077 72 V CA -0.580 61.694 62.300 -0.045 0.000 0.910 72 V CB 2.407 34.193 31.823 -0.062 0.000 1.008 72 V HN 0.725 nan 8.190 nan 0.000 0.424 73 D N 1.782 122.155 120.400 -0.045 0.000 2.655 73 D HA 0.397 5.037 4.640 0.000 0.000 0.229 73 D C 0.387 176.634 176.300 -0.089 0.000 1.229 73 D CA -0.623 53.335 54.000 -0.071 0.000 0.807 73 D CB 2.907 43.648 40.800 -0.099 0.000 1.514 73 D HN 0.384 nan 8.370 nan 0.000 0.444 74 R N 0.913 121.321 120.500 -0.154 0.000 2.073 74 R HA 0.029 4.369 4.340 0.000 0.000 0.229 74 R C 0.788 176.975 176.300 -0.188 0.000 1.120 74 R CA 0.578 56.557 56.100 -0.201 0.000 0.967 74 R CB 0.206 30.297 30.300 -0.349 0.000 0.862 74 R HN 0.412 nan 8.270 nan 0.000 0.436 75 W N 2.290 123.395 121.300 -0.325 0.000 2.150 75 W HA 0.096 4.756 4.660 0.000 0.000 0.341 75 W C -1.591 174.602 176.519 -0.543 0.000 1.276 75 W CA -2.056 54.939 57.345 -0.582 0.000 1.238 75 W CB 0.119 28.871 29.460 -1.179 0.000 1.128 75 W HN -0.018 nan 8.180 nan 0.000 0.581 76 P HA -0.004 nan 4.420 nan 0.000 0.255 76 P C -0.683 176.569 177.300 -0.080 0.000 1.301 76 P CA 0.548 63.635 63.100 -0.021 0.000 0.817 76 P CB -0.190 31.605 31.700 0.160 0.000 1.259 77 F N -1.873 117.955 119.950 -0.203 0.000 2.645 77 F HA 0.571 5.098 4.527 0.000 0.000 0.310 77 F C -0.966 174.611 175.800 -0.371 0.000 1.102 77 F CA -2.036 55.731 58.000 -0.389 0.000 0.952 77 F CB 0.332 38.961 39.000 -0.619 0.000 1.326 77 F HN -0.383 nan 8.300 nan 0.000 0.456 78 L N 0.904 122.053 121.223 -0.124 0.000 2.448 78 L HA 0.811 5.152 4.340 0.000 0.000 0.258 78 L C 1.074 178.024 176.870 0.133 0.000 1.104 78 L CA -0.198 54.572 54.840 -0.117 0.000 0.800 78 L CB 1.001 42.911 42.059 -0.249 0.000 1.241 78 L HN 1.177 nan 8.230 nan 0.000 0.472 79 G N -0.998 107.859 108.800 0.096 0.000 2.541 79 G HA2 0.143 4.103 3.960 0.000 0.000 0.201 79 G HA3 0.143 4.103 3.960 0.000 0.000 0.201 79 G C 0.507 175.514 174.900 0.178 0.000 1.026 79 G CA -0.217 44.975 45.100 0.152 0.000 0.687 79 G HN 1.520 nan 8.290 nan 0.000 0.492 80 G N -0.568 108.367 108.800 0.225 0.000 2.660 80 G HA2 0.213 4.173 3.960 0.000 0.000 0.215 80 G HA3 0.213 4.173 3.960 0.000 0.000 0.215 80 G C 1.285 176.329 174.900 0.240 0.000 1.345 80 G CA 1.599 46.856 45.100 0.261 0.000 0.877 80 G HN 1.986 nan 8.290 nan 0.000 0.549 81 S N -1.048 114.840 115.700 0.313 0.000 2.348 81 S HA -0.212 4.258 4.470 0.000 0.000 0.221 81 S C 2.564 177.308 174.600 0.240 0.000 1.033 81 S CA 2.644 61.039 58.200 0.327 0.000 1.010 81 S CB -1.186 62.231 63.200 0.361 0.000 0.891 81 S HN 2.004 nan 8.310 nan 0.000 0.442 82 c N 3.671 122.379 118.600 0.180 0.000 2.326 82 c HA -0.094 4.477 4.570 0.000 0.000 0.269 82 c C -0.111 174.053 174.090 0.124 0.000 1.140 82 c CA 1.966 58.375 56.329 0.134 0.000 1.798 82 c CB -1.453 41.117 42.510 0.100 0.000 2.053 82 c HN 0.636 nan 8.230 nan 0.000 0.438 83 P HA 0.028 nan 4.420 nan 0.000 0.255 83 P C 0.522 177.919 177.300 0.162 0.000 1.248 83 P CA 1.573 64.720 63.100 0.079 0.000 0.807 83 P CB -0.166 31.531 31.700 -0.006 0.000 1.150 84 H N 1.211 120.361 119.070 0.134 0.000 2.800 84 H HA 0.117 4.673 4.556 0.000 0.000 0.257 84 H C 0.942 176.529 175.328 0.431 0.000 0.967 84 H CA 1.236 57.387 56.048 0.173 0.000 1.192 84 H CB 0.435 30.126 29.762 -0.118 0.000 1.441 84 H HN 0.090 nan 8.280 nan 0.000 0.461 85 N N -1.254 117.661 118.700 0.357 0.000 1.958 85 N HA 0.247 4.987 4.740 0.000 0.000 0.223 85 N C -0.134 175.596 175.510 0.365 0.000 1.395 85 N CA 0.404 53.675 53.050 0.368 0.000 0.737 85 N CB 0.247 39.026 38.487 0.487 0.000 1.155 85 N HN 0.218 nan 8.380 nan 0.000 0.529 86 A N 0.456 123.414 122.820 0.230 0.000 3.411 86 A HA 0.500 4.821 4.320 0.000 0.000 0.197 86 A C 1.638 179.339 177.584 0.194 0.000 1.630 86 A CA 0.392 52.514 52.037 0.142 0.000 1.807 86 A CB -0.777 18.286 19.000 0.105 0.000 1.519 86 A HN 0.254 nan 8.150 nan 0.000 0.502 87 c N -0.607 118.132 118.600 0.231 0.000 2.271 87 c HA -0.188 4.382 4.570 0.000 0.000 0.269 87 c C 2.461 176.643 174.090 0.155 0.000 1.131 87 c CA 1.316 57.870 56.329 0.376 0.000 1.794 87 c CB -1.956 40.648 42.510 0.158 0.000 1.930 87 c HN 0.481 nan 8.230 nan 0.000 0.417 88 V N 3.452 123.331 119.914 -0.058 0.000 2.225 88 V HA -0.254 3.866 4.120 0.000 0.000 0.252 88 V C 0.249 176.111 176.094 -0.388 0.000 1.055 88 V CA 3.209 65.397 62.300 -0.186 0.000 1.032 88 V CB -2.281 29.511 31.823 -0.050 0.000 0.655 88 V HN 0.490 nan 8.190 nan 0.000 0.458 89 P HA -0.234 nan 4.420 nan 0.000 0.220 89 P C 1.444 177.902 177.300 -1.404 0.000 1.144 89 P CA 2.432 64.639 63.100 -1.489 0.000 0.800 89 P CB -0.258 30.256 31.700 -1.977 0.000 0.772 90 H N -0.346 118.323 119.070 -0.668 0.000 2.363 90 H HA -0.122 4.434 4.556 0.000 0.000 0.301 90 H C 1.903 176.950 175.328 -0.468 0.000 1.074 90 H CA 1.758 57.516 56.048 -0.484 0.000 1.354 90 H CB -1.241 28.533 29.762 0.019 0.000 1.397 90 H HN 0.097 nan 8.280 nan 0.000 0.516 91 H N -0.503 118.037 119.070 -0.884 0.000 2.353 91 H HA -0.038 4.519 4.556 0.000 0.000 0.300 91 H C 2.143 177.097 175.328 -0.624 0.000 1.090 91 H CA 1.301 56.893 56.048 -0.760 0.000 1.327 91 H CB -0.347 29.123 29.762 -0.485 0.000 1.383 91 H HN 0.340 nan 8.280 nan 0.000 0.508 92 L N 0.004 120.886 121.223 -0.569 0.000 2.013 92 L HA -0.182 4.158 4.340 0.000 0.000 0.212 92 L C 1.753 178.293 176.870 -0.551 0.000 1.073 92 L CA 1.674 56.181 54.840 -0.556 0.000 0.753 92 L CB -0.846 40.793 42.059 -0.700 0.000 0.890 92 L HN 0.283 nan 8.230 nan 0.000 0.432 93 F N -1.567 117.947 119.950 -0.726 0.000 2.206 93 F HA -0.150 4.377 4.527 0.000 0.000 0.298 93 F C 2.432 177.800 175.800 -0.721 0.000 1.090 93 F CA 0.629 57.932 58.000 -1.162 0.000 1.323 93 F CB -0.488 37.582 39.000 -1.550 0.000 1.028 93 F HN 0.024 nan 8.300 nan 0.000 0.492 94 S N -0.099 115.334 115.700 -0.445 0.000 2.383 94 S HA -0.176 4.294 4.470 0.000 0.000 0.227 94 S C 1.471 175.889 174.600 -0.304 0.000 1.026 94 S CA 1.280 59.217 58.200 -0.440 0.000 0.981 94 S CB -0.315 62.291 63.200 -0.990 0.000 0.818 94 S HN 0.305 nan 8.310 nan 0.000 0.472 95 D N 1.210 121.431 120.400 -0.299 0.000 2.092 95 D HA -0.085 4.555 4.640 0.000 0.000 0.193 95 D C 2.180 178.442 176.300 -0.064 0.000 0.994 95 D CA 1.054 54.960 54.000 -0.156 0.000 0.828 95 D CB -0.620 40.094 40.800 -0.143 0.000 0.963 95 D HN 0.347 nan 8.370 nan 0.000 0.450 96 C N 1.317 120.580 119.300 -0.062 0.000 2.398 96 C HA -0.134 4.326 4.460 0.000 0.000 0.276 96 C C 2.898 177.966 174.990 0.129 0.000 1.222 96 C CA 0.837 59.888 59.018 0.054 0.000 1.746 96 C CB -1.191 26.612 27.740 0.105 0.000 2.039 96 C HN 0.379 nan 8.230 nan 0.000 0.470 97 A N 0.817 123.725 122.820 0.148 0.000 1.873 97 A HA -0.087 4.233 4.320 0.000 0.000 0.218 97 A C 2.398 180.116 177.584 0.222 0.000 1.193 97 A CA 2.658 54.839 52.037 0.240 0.000 0.629 97 A CB -1.099 17.992 19.000 0.152 0.000 0.826 97 A HN 0.651 nan 8.150 nan 0.000 0.447 98 A N -0.965 121.943 122.820 0.147 0.000 1.930 98 A HA -0.120 4.201 4.320 0.000 0.000 0.217 98 A C 1.983 179.621 177.584 0.091 0.000 1.175 98 A CA 1.698 53.835 52.037 0.167 0.000 0.627 98 A CB -0.381 18.739 19.000 0.201 0.000 0.815 98 A HN 0.491 nan 8.150 nan 0.000 0.443 99 E N 0.177 120.415 120.200 0.063 0.000 2.028 99 E HA -0.109 4.241 4.350 0.000 0.000 0.191 99 E C 2.118 178.749 176.600 0.052 0.000 0.988 99 E CA 0.918 57.357 56.400 0.064 0.000 0.799 99 E CB -0.553 29.195 29.700 0.079 0.000 0.755 99 E HN 0.651 nan 8.360 nan 0.000 0.447 100 L N 0.676 121.934 121.223 0.059 0.000 2.042 100 L HA -0.143 4.197 4.340 0.000 0.000 0.210 100 L C 2.744 179.578 176.870 -0.060 0.000 1.076 100 L CA 1.118 55.968 54.840 0.018 0.000 0.749 100 L CB -0.387 41.699 42.059 0.046 0.000 0.893 100 L HN 0.182 nan 8.230 nan 0.000 0.432 101 M N -0.660 118.901 119.600 -0.066 0.000 2.279 101 M HA -0.221 4.259 4.480 0.000 0.000 0.264 101 M C 2.118 178.358 176.300 -0.100 0.000 1.062 101 M CA 1.594 56.796 55.300 -0.164 0.000 1.099 101 M CB 0.133 32.599 32.600 -0.224 0.000 1.394 101 M HN 0.247 nan 8.290 nan 0.000 0.426 102 L N 0.695 121.884 121.223 -0.057 0.000 2.049 102 L HA 0.089 4.429 4.340 0.000 0.000 0.203 102 L C 2.573 179.148 176.870 -0.491 0.000 1.074 102 L CA 2.059 56.799 54.840 -0.167 0.000 0.749 102 L CB -1.015 40.979 42.059 -0.109 0.000 0.907 102 L HN 0.288 nan 8.230 nan 0.000 0.439 103 A N -0.468 122.108 122.820 -0.406 0.000 1.986 103 A HA -0.244 4.076 4.320 0.000 0.000 0.220 103 A C 2.388 179.766 177.584 -0.344 0.000 1.171 103 A CA 1.978 53.751 52.037 -0.439 0.000 0.640 103 A CB -0.586 18.407 19.000 -0.010 0.000 0.811 103 A HN 0.521 nan 8.150 nan 0.000 0.451 104 R N -1.582 118.759 120.500 -0.264 0.000 2.161 104 R HA 0.008 4.349 4.340 0.000 0.000 0.213 104 R C 1.788 177.913 176.300 -0.291 0.000 1.055 104 R CA 1.298 57.266 56.100 -0.219 0.000 0.996 104 R CB -0.279 29.917 30.300 -0.174 0.000 0.901 104 R HN 0.463 nan 8.270 nan 0.000 0.456 105 T N -0.046 114.249 114.554 -0.431 0.000 3.023 105 T HA 0.027 4.377 4.350 0.000 0.000 0.266 105 T C 0.434 174.614 174.700 -0.867 0.000 1.093 105 T CA 0.945 62.661 62.100 -0.639 0.000 1.129 105 T CB 0.085 68.491 68.868 -0.770 0.000 0.899 105 T HN 0.099 nan 8.240 nan 0.000 0.491 106 F N 1.351 121.106 119.950 -0.324 0.000 2.879 106 F HA 0.403 4.931 4.527 0.000 0.000 0.354 106 F C 0.782 176.451 175.800 -0.217 0.000 1.291 106 F CA -0.825 57.010 58.000 -0.274 0.000 1.238 106 F CB 0.422 39.231 39.000 -0.317 0.000 1.005 106 F HN -0.087 nan 8.300 nan 0.000 0.508 107 S N 0.549 116.198 115.700 -0.085 0.000 2.563 107 S HA 0.345 4.815 4.470 0.000 0.000 0.294 107 S C 1.376 175.982 174.600 0.009 0.000 1.279 107 S CA 1.229 59.411 58.200 -0.029 0.000 1.069 107 S CB 0.472 63.637 63.200 -0.058 0.000 0.828 107 S HN 0.964 nan 8.310 nan 0.000 0.497 108 G N 4.056 112.881 108.800 0.042 0.000 2.779 108 G HA2 -0.310 3.650 3.960 0.000 0.000 0.230 108 G HA3 -0.310 3.650 3.960 0.000 0.000 0.230 108 G C 0.180 175.071 174.900 -0.015 0.000 1.243 108 G CA 0.560 45.668 45.100 0.014 0.000 0.769 108 G HN 0.807 nan 8.290 nan 0.000 0.516 109 Q N 0.359 120.123 119.800 -0.060 0.000 2.428 109 Q HA 0.435 4.775 4.340 0.000 0.000 0.276 109 Q C 1.087 176.958 176.000 -0.216 0.000 1.059 109 Q CA 0.420 56.056 55.803 -0.278 0.000 0.923 109 Q CB 0.119 28.599 28.738 -0.430 0.000 1.283 109 Q HN 0.694 nan 8.270 nan 0.000 0.447 110 Y N -1.761 118.515 120.300 -0.040 0.000 2.682 110 Y HA -0.410 4.140 4.550 0.000 0.000 0.431 110 Y C 0.969 176.798 175.900 -0.119 0.000 1.103 110 Y CA 1.229 59.267 58.100 -0.103 0.000 2.395 110 Y CB -1.239 37.029 38.460 -0.319 0.000 1.128 110 Y HN 0.930 nan 8.280 nan 0.000 0.663 111 W N -0.237 121.007 121.300 -0.093 0.000 3.377 111 W HA 0.497 5.157 4.660 0.000 0.000 0.277 111 W C -0.793 175.566 176.519 -0.268 0.000 1.311 111 W CA -0.880 56.333 57.345 -0.220 0.000 1.703 111 W CB -0.618 28.658 29.460 -0.308 0.000 1.095 111 W HN 0.081 nan 8.180 nan 0.000 0.715 112 F N 4.628 124.393 119.950 -0.308 0.000 2.411 112 F HA 0.400 4.928 4.527 0.001 0.000 0.350 112 F C -1.356 174.401 175.800 -0.071 0.000 1.114 112 F CA -3.182 54.685 58.000 -0.221 0.000 1.135 112 F CB 0.393 39.240 39.000 -0.254 0.000 1.120 112 F HN -0.252 nan 8.300 nan 0.000 0.495 113 P HA 0.024 nan 4.420 nan 0.000 0.274 113 P C -0.828 176.518 177.300 0.076 0.000 1.237 113 P CA -0.389 62.772 63.100 0.102 0.000 0.793 113 P CB 0.937 32.694 31.700 0.096 0.000 0.977 114 D N 1.406 121.831 120.400 0.042 0.000 2.358 114 D HA 0.043 4.683 4.640 0.000 0.000 0.258 114 D C 1.079 177.385 176.300 0.011 0.000 1.223 114 D CA 0.060 54.070 54.000 0.017 0.000 0.886 114 D CB 0.251 41.056 40.800 0.007 0.000 1.120 114 D HN 0.056 nan 8.370 nan 0.000 0.482 115 M N 1.844 121.440 119.600 -0.006 0.000 2.514 115 M HA 0.026 4.507 4.480 0.000 0.000 0.258 115 M C 0.503 176.788 176.300 -0.025 0.000 1.119 115 M CA 0.311 55.602 55.300 -0.016 0.000 1.111 115 M CB -1.016 31.561 32.600 -0.038 0.000 1.390 115 M HN 0.293 nan 8.290 nan 0.000 0.475 116 T N 2.592 117.130 114.554 -0.026 0.000 2.819 116 T HA -0.043 4.307 4.350 0.000 0.000 0.282 116 T C 0.842 175.530 174.700 -0.021 0.000 1.013 116 T CA 0.561 62.645 62.100 -0.027 0.000 1.159 116 T CB 0.066 68.920 68.868 -0.023 0.000 1.007 116 T HN 0.468 nan 8.240 nan 0.000 0.514 117 E N -1.286 118.900 120.200 -0.023 0.000 3.799 117 E HA -0.223 4.127 4.350 0.000 0.000 0.320 117 E C 0.254 176.842 176.600 -0.020 0.000 0.760 117 E CA 1.272 57.660 56.400 -0.020 0.000 1.153 117 E CB -0.571 29.121 29.700 -0.014 0.000 1.589 117 E HN 0.531 nan 8.360 nan 0.000 0.448 118 K N 1.569 121.956 120.400 -0.021 0.000 2.276 118 K HA 0.347 4.668 4.320 0.000 0.000 0.285 118 K C -0.744 175.838 176.600 -0.030 0.000 1.062 118 K CA -0.357 55.919 56.287 -0.019 0.000 0.918 118 K CB 1.344 33.838 32.500 -0.009 0.000 1.055 118 K HN 0.106 nan 8.250 nan 0.000 0.477 119 V N 3.331 123.225 119.914 -0.034 0.000 2.378 119 V HA 0.547 4.667 4.120 0.000 0.000 0.288 119 V C -0.390 175.673 176.094 -0.052 0.000 1.016 119 V CA -0.964 61.304 62.300 -0.053 0.000 0.840 119 V CB 1.389 33.173 31.823 -0.065 0.000 0.994 119 V HN 0.458 nan 8.190 nan 0.000 0.431 120 V N 4.435 124.316 119.914 -0.054 0.000 2.924 120 V HA 0.456 4.576 4.120 0.000 0.000 0.305 120 V C 1.450 177.508 176.094 -0.060 0.000 1.073 120 V CA 0.664 62.944 62.300 -0.035 0.000 1.098 120 V CB 1.161 32.981 31.823 -0.006 0.000 1.000 120 V HN 1.167 nan 8.190 nan 0.000 0.484 121 G N 2.532 111.314 108.800 -0.030 0.000 2.394 121 G HA2 0.393 4.354 3.960 0.000 0.000 0.298 121 G HA3 0.393 4.354 3.960 0.000 0.000 0.298 121 G C 0.701 175.583 174.900 -0.030 0.000 1.087 121 G CA -0.359 44.712 45.100 -0.048 0.000 1.035 121 G HN 0.690 nan 8.290 nan 0.000 0.420 122 I N 1.977 122.484 120.570 -0.106 0.000 2.090 122 I HA -0.189 3.981 4.170 0.000 0.000 0.236 122 I C 2.772 178.879 176.117 -0.017 0.000 1.064 122 I CA 1.318 62.584 61.300 -0.055 0.000 1.324 122 I CB -0.175 37.687 38.000 -0.230 0.000 1.044 122 I HN 0.564 nan 8.210 nan 0.000 0.399 123 K N 1.243 121.578 120.400 -0.108 0.000 2.071 123 K HA -0.337 3.983 4.320 0.000 0.000 0.217 123 K C 2.113 178.732 176.600 0.032 0.000 1.054 123 K CA 2.410 58.665 56.287 -0.053 0.000 0.937 123 K CB -0.275 32.174 32.500 -0.085 0.000 0.719 123 K HN 0.286 nan 8.250 nan 0.000 0.454 124 E N -0.167 120.050 120.200 0.028 0.000 2.114 124 E HA -0.223 4.127 4.350 0.000 0.000 0.199 124 E C 1.919 178.574 176.600 0.092 0.000 1.008 124 E CA 1.647 58.080 56.400 0.054 0.000 0.810 124 E CB -0.058 29.667 29.700 0.041 0.000 0.739 124 E HN 0.303 nan 8.360 nan 0.000 0.456 125 V N 0.400 120.388 119.914 0.123 0.000 2.379 125 V HA -0.135 3.985 4.120 0.000 0.000 0.245 125 V C 2.346 178.589 176.094 0.248 0.000 1.044 125 V CA 1.643 64.045 62.300 0.171 0.000 1.036 125 V CB 0.299 32.245 31.823 0.204 0.000 0.664 125 V HN 0.405 nan 8.190 nan 0.000 0.453 126 V N -1.079 118.994 119.914 0.264 0.000 3.141 126 V HA -0.090 4.030 4.120 0.000 0.000 0.265 126 V C 1.964 178.238 176.094 0.301 0.000 1.126 126 V CA 2.297 64.821 62.300 0.374 0.000 1.141 126 V CB -0.688 31.311 31.823 0.294 0.000 0.743 126 V HN 0.561 nan 8.190 nan 0.000 0.492 127 D N 0.177 120.692 120.400 0.191 0.000 2.137 127 D HA -0.048 4.592 4.640 0.000 0.000 0.202 127 D C 1.909 178.276 176.300 0.112 0.000 0.970 127 D CA 1.504 55.586 54.000 0.135 0.000 0.837 127 D CB -0.002 40.854 40.800 0.093 0.000 0.981 127 D HN 0.524 nan 8.370 nan 0.000 0.475 128 L N 0.365 121.660 121.223 0.120 0.000 1.989 128 L HA -0.130 4.210 4.340 0.000 0.000 0.211 128 L C 2.174 179.092 176.870 0.079 0.000 1.071 128 L CA 1.523 56.411 54.840 0.081 0.000 0.749 128 L CB -0.929 41.178 42.059 0.080 0.000 0.890 128 L HN 0.016 nan 8.230 nan 0.000 0.431 129 F N 0.567 120.513 119.950 -0.006 0.000 2.065 129 F HA -0.312 4.216 4.527 0.001 0.000 0.298 129 F C 2.516 178.288 175.800 -0.048 0.000 1.112 129 F CA 2.046 60.012 58.000 -0.056 0.000 1.212 129 F CB -0.227 38.735 39.000 -0.063 0.000 0.975 129 F HN 0.048 nan 8.300 nan 0.000 0.476 130 R N 0.471 120.884 120.500 -0.144 0.000 2.105 130 R HA -0.146 4.195 4.340 0.000 0.000 0.239 130 R C 2.360 178.529 176.300 -0.219 0.000 1.135 130 R CA 1.171 57.122 56.100 -0.248 0.000 0.967 130 R CB -0.950 29.349 30.300 -0.003 0.000 0.861 130 R HN 0.427 nan 8.270 nan 0.000 0.442 131 A N 0.363 123.110 122.820 -0.122 0.000 2.121 131 A HA -0.027 4.294 4.320 0.000 0.000 0.218 131 A C 1.973 179.481 177.584 -0.127 0.000 1.154 131 A CA 1.617 53.602 52.037 -0.087 0.000 0.679 131 A CB -0.227 18.751 19.000 -0.035 0.000 0.795 131 A HN 0.491 nan 8.150 nan 0.000 0.458 132 G N -0.715 107.960 108.800 -0.209 0.000 2.801 132 G HA2 0.095 4.055 3.960 0.000 0.000 0.213 132 G HA3 0.095 4.055 3.960 0.000 0.000 0.213 132 G C 1.329 176.036 174.900 -0.321 0.000 1.052 132 G CA 0.439 45.414 45.100 -0.208 0.000 0.868 132 G HN 0.593 nan 8.290 nan 0.000 0.589 133 R N 0.871 121.043 120.500 -0.546 0.000 2.226 133 R HA -0.067 4.273 4.340 0.000 0.000 0.246 133 R C 1.425 177.327 176.300 -0.664 0.000 1.161 133 R CA 1.617 57.293 56.100 -0.707 0.000 0.997 133 R CB -0.438 29.145 30.300 -1.193 0.000 0.870 133 R HN 0.132 nan 8.270 nan 0.000 0.465 134 N N 0.614 119.088 118.700 -0.378 0.000 2.457 134 N HA -0.026 4.714 4.740 0.000 0.000 0.180 134 N C 1.741 177.157 175.510 -0.156 0.000 1.050 134 N CA 1.116 54.047 53.050 -0.198 0.000 0.906 134 N CB -0.138 38.343 38.487 -0.010 0.000 0.968 134 N HN 0.485 nan 8.380 nan 0.000 0.445 135 G N 2.330 111.021 108.800 -0.181 0.000 2.480 135 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 135 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 135 G C -0.704 174.127 174.900 -0.115 0.000 1.200 135 G CA 0.625 45.658 45.100 -0.112 0.000 0.782 135 G HN 0.317 nan 8.290 nan 0.000 0.554 136 P HA -0.090 nan 4.420 nan 0.000 0.216 136 P C 1.494 178.725 177.300 -0.116 0.000 1.150 136 P CA 1.191 64.191 63.100 -0.166 0.000 0.837 136 P CB -0.067 31.494 31.700 -0.231 0.000 0.786 137 H N -0.540 118.408 119.070 -0.204 0.000 2.251 137 H HA -0.100 4.456 4.556 0.000 0.000 0.294 137 H C 2.299 177.548 175.328 -0.132 0.000 1.078 137 H CA 2.011 57.916 56.048 -0.239 0.000 1.246 137 H CB -1.394 28.125 29.762 -0.404 0.000 1.358 137 H HN 0.104 nan 8.280 nan 0.000 0.488 138 G N 0.769 109.630 108.800 0.102 0.000 2.507 138 G HA2 -0.236 3.725 3.960 0.000 0.000 0.221 138 G HA3 -0.236 3.725 3.960 0.000 0.000 0.221 138 G C 1.930 176.871 174.900 0.069 0.000 1.119 138 G CA 1.193 46.377 45.100 0.141 0.000 0.751 138 G HN 0.373 nan 8.290 nan 0.000 0.574 139 I N -0.275 120.323 120.570 0.047 0.000 2.252 139 I HA -0.125 4.045 4.170 0.000 0.000 0.245 139 I C 2.685 178.835 176.117 0.056 0.000 1.102 139 I CA 1.342 62.687 61.300 0.075 0.000 1.385 139 I CB -0.250 37.764 38.000 0.023 0.000 1.064 139 I HN 0.222 nan 8.210 nan 0.000 0.414 140 M N 1.397 120.983 119.600 -0.022 0.000 2.080 140 M HA -0.249 4.231 4.480 0.000 0.000 0.260 140 M C 1.809 178.007 176.300 -0.170 0.000 1.068 140 M CA 2.091 57.349 55.300 -0.070 0.000 1.109 140 M CB -0.757 31.811 32.600 -0.052 0.000 1.342 140 M HN 0.146 nan 8.290 nan 0.000 0.405 141 N N -1.160 117.344 118.700 -0.326 0.000 2.058 141 N HA -0.187 4.553 4.740 0.000 0.000 0.191 141 N C 1.722 176.941 175.510 -0.486 0.000 1.037 141 N CA 1.611 54.276 53.050 -0.642 0.000 0.848 141 N CB -0.397 37.313 38.487 -1.295 0.000 1.021 141 N HN 0.414 nan 8.380 nan 0.000 0.422 142 F N 2.250 121.874 119.950 -0.543 0.000 2.069 142 F HA -0.222 4.305 4.527 0.000 0.000 0.298 142 F C 2.697 178.514 175.800 0.029 0.000 1.113 142 F CA 1.508 59.486 58.000 -0.037 0.000 1.214 142 F CB -0.409 38.718 39.000 0.210 0.000 0.978 142 F HN 0.035 nan 8.300 nan 0.000 0.474 143 Q N -0.271 119.544 119.800 0.025 0.000 2.224 143 Q HA -0.147 4.194 4.340 0.000 0.000 0.203 143 Q C 1.985 177.898 176.000 -0.144 0.000 0.970 143 Q CA 1.700 57.465 55.803 -0.064 0.000 0.865 143 Q CB -0.129 28.662 28.738 0.088 0.000 0.922 143 Q HN 0.481 nan 8.270 nan 0.000 0.445 144 S N 0.286 115.915 115.700 -0.118 0.000 2.406 144 S HA -0.038 4.432 4.470 0.000 0.000 0.224 144 S C 1.686 176.261 174.600 -0.040 0.000 1.030 144 S CA 0.932 59.089 58.200 -0.071 0.000 0.958 144 S CB 0.034 63.210 63.200 -0.041 0.000 0.811 144 S HN 0.355 nan 8.310 nan 0.000 0.489 145 K N 0.964 121.346 120.400 -0.030 0.000 2.044 145 K HA 0.005 4.325 4.320 0.000 0.000 0.204 145 K C 1.667 178.182 176.600 -0.142 0.000 1.049 145 K CA 1.007 57.247 56.287 -0.078 0.000 0.945 145 K CB 0.062 32.556 32.500 -0.010 0.000 0.724 145 K HN 0.076 nan 8.250 nan 0.000 0.440 146 E N 0.607 120.648 120.200 -0.264 0.000 2.086 146 E HA -0.098 4.252 4.350 0.000 0.000 0.190 146 E C 2.041 178.505 176.600 -0.227 0.000 0.975 146 E CA 1.105 57.333 56.400 -0.287 0.000 0.813 146 E CB 0.121 29.476 29.700 -0.575 0.000 0.768 146 E HN 0.465 nan 8.360 nan 0.000 0.457 147 Q N -0.121 119.532 119.800 -0.244 0.000 2.259 147 Q HA 0.191 4.531 4.340 0.000 0.000 0.201 147 Q C 2.130 178.062 176.000 -0.113 0.000 0.938 147 Q CA 0.364 56.082 55.803 -0.143 0.000 0.872 147 Q CB 0.434 29.108 28.738 -0.108 0.000 0.971 147 Q HN 0.159 nan 8.270 nan 0.000 0.494 148 L N 0.702 121.852 121.223 -0.121 0.000 2.567 148 L HA 0.106 4.446 4.340 0.000 0.000 0.225 148 L C 0.039 176.852 176.870 -0.094 0.000 1.119 148 L CA -0.081 54.695 54.840 -0.107 0.000 0.871 148 L CB 0.019 42.008 42.059 -0.117 0.000 1.036 148 L HN 0.282 nan 8.230 nan 0.000 0.459 149 N N 0.281 118.922 118.700 -0.097 0.000 2.732 149 N HA -0.196 4.544 4.740 0.000 0.000 0.250 149 N C 0.149 175.605 175.510 -0.090 0.000 1.097 149 N CA 0.761 53.757 53.050 -0.089 0.000 0.812 149 N CB -1.444 37.001 38.487 -0.070 0.000 1.148 149 N HN 0.320 nan 8.380 nan 0.000 0.572 150 L N 1.274 122.448 121.223 -0.083 0.000 2.485 150 L HA 0.049 4.389 4.340 0.000 0.000 0.275 150 L C 0.940 177.736 176.870 -0.123 0.000 1.207 150 L CA 0.763 55.564 54.840 -0.064 0.000 0.855 150 L CB 0.239 42.282 42.059 -0.027 0.000 1.114 150 L HN 0.007 nan 8.230 nan 0.000 0.485 151 E N 2.460 122.594 120.200 -0.111 0.000 2.191 151 E HA 0.537 4.887 4.350 0.000 0.000 0.278 151 E C -1.415 175.085 176.600 -0.167 0.000 0.972 151 E CA -0.472 55.792 56.400 -0.226 0.000 0.804 151 E CB 1.754 31.397 29.700 -0.095 0.000 1.110 151 E HN 0.420 nan 8.360 nan 0.000 0.394 152 Y N -0.647 119.524 120.300 -0.214 0.000 2.725 152 Y HA 0.646 5.196 4.550 0.000 0.000 0.333 152 Y C -1.451 174.320 175.900 -0.215 0.000 1.242 152 Y CA -1.427 56.543 58.100 -0.216 0.000 1.059 152 Y CB 1.050 39.402 38.460 -0.179 0.000 1.306 152 Y HN 0.340 nan 8.280 nan 0.000 0.454 153 I N 3.084 123.746 120.570 0.154 0.000 2.529 153 I HA 0.388 4.559 4.170 0.000 0.000 0.284 153 I C -1.186 175.009 176.117 0.129 0.000 1.088 153 I CA -0.440 60.938 61.300 0.130 0.000 1.062 153 I CB 1.523 39.558 38.000 0.059 0.000 1.218 153 I HN 0.493 nan 8.210 nan 0.000 0.442 154 L N 4.782 126.108 121.223 0.171 0.000 2.332 154 L HA 0.533 4.873 4.340 0.000 0.000 0.269 154 L C 0.570 177.497 176.870 0.095 0.000 1.016 154 L CA -0.939 53.937 54.840 0.059 0.000 0.809 154 L CB 0.987 43.032 42.059 -0.023 0.000 1.280 154 L HN 0.653 nan 8.230 nan 0.000 0.447 155 N N 0.440 119.160 118.700 0.033 0.000 2.727 155 N HA -0.199 4.541 4.740 0.000 0.000 0.251 155 N C -1.092 174.453 175.510 0.058 0.000 1.040 155 N CA 0.603 53.685 53.050 0.054 0.000 0.712 155 N CB -0.649 37.914 38.487 0.126 0.000 0.912 155 N HN 0.791 nan 8.380 nan 0.000 0.545 156 C N 1.249 120.562 119.300 0.021 0.000 3.050 156 C HA 0.516 4.977 4.460 0.000 0.000 0.416 156 C C -2.731 172.256 174.990 -0.004 0.000 0.994 156 C CA -1.150 57.886 59.018 0.029 0.000 1.222 156 C CB 1.335 29.119 27.740 0.074 0.000 1.612 156 C HN 0.417 nan 8.230 nan 0.000 0.550 157 P HA 0.360 nan 4.420 nan 0.000 0.276 157 P C -0.333 176.965 177.300 -0.003 0.000 1.230 157 P CA 0.390 63.471 63.100 -0.032 0.000 0.776 157 P CB 1.080 32.756 31.700 -0.040 0.000 0.888 158 A N 4.440 127.254 122.820 -0.009 0.000 2.366 158 A HA 0.295 4.616 4.320 0.000 0.000 0.272 158 A C 0.193 177.789 177.584 0.019 0.000 1.135 158 A CA -0.455 51.589 52.037 0.011 0.000 0.804 158 A CB 0.008 19.008 19.000 -0.001 0.000 1.064 158 A HN 0.436 nan 8.150 nan 0.000 0.499 159 K N 2.717 123.143 120.400 0.043 0.000 2.354 159 K HA 0.371 4.691 4.320 0.000 0.000 0.257 159 K C -1.086 175.543 176.600 0.048 0.000 1.062 159 K CA -0.471 55.841 56.287 0.040 0.000 0.971 159 K CB 1.568 34.098 32.500 0.049 0.000 1.305 159 K HN 0.350 nan 8.250 nan 0.000 0.449 160 V N 5.659 125.592 119.914 0.031 0.000 2.364 160 V HA -0.049 4.071 4.120 0.000 0.000 0.252 160 V C 1.645 177.756 176.094 0.028 0.000 1.075 160 V CA 0.024 62.342 62.300 0.030 0.000 1.033 160 V CB -0.493 31.337 31.823 0.011 0.000 1.116 160 V HN 0.742 nan 8.190 nan 0.000 0.488 161 I N 3.163 123.759 120.570 0.043 0.000 2.142 161 I HA -0.058 4.112 4.170 0.000 0.000 0.240 161 I C 1.087 177.219 176.117 0.025 0.000 1.078 161 I CA 1.506 62.828 61.300 0.037 0.000 1.343 161 I CB -0.612 37.417 38.000 0.049 0.000 1.046 161 I HN 0.862 nan 8.210 nan 0.000 0.405 162 D N -2.327 118.089 120.400 0.027 0.000 2.921 162 D HA 0.003 4.643 4.640 0.000 0.000 0.329 162 D C 0.499 176.783 176.300 -0.027 0.000 1.293 162 D CA -0.503 53.500 54.000 0.006 0.000 0.964 162 D CB 0.074 40.887 40.800 0.021 0.000 1.435 162 D HN -0.153 nan 8.370 nan 0.000 0.548 163 N N -1.327 117.323 118.700 -0.084 0.000 2.205 163 N HA -0.204 4.537 4.740 0.000 0.000 0.186 163 N C 0.549 175.837 175.510 -0.370 0.000 1.015 163 N CA 1.715 54.622 53.050 -0.238 0.000 0.862 163 N CB -0.078 38.222 38.487 -0.311 0.000 0.986 163 N HN 0.417 nan 8.380 nan 0.000 0.429 164 H N -2.209 116.887 119.070 0.045 0.000 2.923 164 H HA 0.249 4.805 4.556 0.000 0.000 0.268 164 H C -0.232 175.145 175.328 0.082 0.000 1.148 164 H CA 0.415 56.500 56.048 0.062 0.000 1.146 164 H CB 0.301 30.097 29.762 0.057 0.000 1.607 164 H HN 0.257 nan 8.280 nan 0.000 0.566 165 T N -0.995 113.649 114.554 0.150 0.000 2.893 165 T HA 0.672 5.023 4.350 0.000 0.000 0.293 165 T C -0.372 174.406 174.700 0.129 0.000 1.027 165 T CA -0.758 61.433 62.100 0.151 0.000 0.988 165 T CB 2.605 71.546 68.868 0.122 0.000 1.043 165 T HN -0.127 nan 8.240 nan 0.000 0.461 166 V N 1.312 121.336 119.914 0.184 0.000 3.049 166 V HA 0.677 4.797 4.120 0.000 0.000 0.309 166 V C -0.596 175.673 176.094 0.293 0.000 1.148 166 V CA -0.921 61.486 62.300 0.178 0.000 0.990 166 V CB 2.058 33.958 31.823 0.128 0.000 1.039 166 V HN 1.099 nan 8.190 nan 0.000 0.430 167 E N 1.501 121.840 120.200 0.232 0.000 2.277 167 E HA 0.864 5.215 4.350 0.000 0.000 0.266 167 E C -1.033 175.733 176.600 0.277 0.000 0.901 167 E CA -0.549 56.015 56.400 0.272 0.000 0.782 167 E CB 2.369 32.149 29.700 0.134 0.000 1.228 167 E HN 1.079 nan 8.360 nan 0.000 0.424 168 A N 1.454 124.498 122.820 0.374 0.000 2.590 168 A HA 0.569 4.889 4.320 0.000 0.000 0.294 168 A C -0.199 177.569 177.584 0.307 0.000 1.046 168 A CA 0.103 52.310 52.037 0.284 0.000 0.684 168 A CB 0.667 19.789 19.000 0.203 0.000 1.279 168 A HN 1.389 nan 8.150 nan 0.000 0.415 169 A N -0.101 122.826 122.820 0.179 0.000 2.829 169 A HA 0.273 4.593 4.320 0.000 0.000 0.267 169 A C 2.075 179.678 177.584 0.032 0.000 1.370 169 A CA 2.465 54.561 52.037 0.098 0.000 0.900 169 A CB -1.880 17.166 19.000 0.078 0.000 1.044 169 A HN 3.222 nan 8.150 nan 0.000 0.691 170 G N -2.919 105.917 108.800 0.060 0.000 2.159 170 G HA2 -0.198 3.762 3.960 0.000 0.000 0.256 170 G HA3 -0.198 3.762 3.960 0.000 0.000 0.256 170 G C 0.047 174.933 174.900 -0.023 0.000 0.977 170 G CA 1.436 46.544 45.100 0.013 0.000 0.652 170 G HN 1.167 nan 8.290 nan 0.000 0.531 171 K N -0.910 119.480 120.400 -0.017 0.000 2.258 171 K HA 0.834 5.154 4.320 0.000 0.000 0.236 171 K C -0.212 176.215 176.600 -0.288 0.000 1.008 171 K CA -0.739 55.432 56.287 -0.194 0.000 0.869 171 K CB 2.349 34.664 32.500 -0.308 0.000 1.171 171 K HN 0.465 nan 8.250 nan 0.000 0.447 172 V N 2.371 121.997 119.914 -0.479 0.000 2.495 172 V HA 0.638 4.758 4.120 0.000 0.000 0.298 172 V C -1.681 174.054 176.094 -0.598 0.000 1.031 172 V CA -0.540 61.555 62.300 -0.342 0.000 0.871 172 V CB 0.529 32.270 31.823 -0.137 0.000 0.988 172 V HN 0.547 nan 8.190 nan 0.000 0.432 173 F N 4.806 124.824 119.950 0.113 0.000 2.546 173 F HA 0.733 5.261 4.527 0.000 0.000 0.320 173 F C 0.081 175.973 175.800 0.154 0.000 1.076 173 F CA -0.799 57.298 58.000 0.162 0.000 0.928 173 F CB 2.125 41.233 39.000 0.180 0.000 1.189 173 F HN 0.263 nan 8.300 nan 0.000 0.465 174 K N 1.350 121.964 120.400 0.357 0.000 2.318 174 K HA 0.940 5.260 4.320 0.000 0.000 0.249 174 K C -1.371 175.419 176.600 0.317 0.000 0.942 174 K CA -0.860 55.586 56.287 0.265 0.000 0.808 174 K CB 2.453 35.047 32.500 0.158 0.000 1.189 174 K HN 0.743 nan 8.250 nan 0.000 0.428 175 A N 1.521 124.507 122.820 0.275 0.000 2.566 175 A HA 0.296 4.616 4.320 0.000 0.000 0.297 175 A C -0.165 177.575 177.584 0.260 0.000 1.059 175 A CA -0.778 51.424 52.037 0.276 0.000 0.691 175 A CB 1.132 20.299 19.000 0.279 0.000 1.282 175 A HN 0.745 nan 8.150 nan 0.000 0.401 176 K N 0.500 121.012 120.400 0.187 0.000 2.218 176 K HA -0.128 4.192 4.320 0.000 0.000 0.205 176 K C 0.379 177.149 176.600 0.283 0.000 1.046 176 K CA 1.547 57.935 56.287 0.168 0.000 0.933 176 K CB -0.044 32.520 32.500 0.107 0.000 0.728 176 K HN 0.671 nan 8.250 nan 0.000 0.454 177 N N -0.785 118.049 118.700 0.223 0.000 2.774 177 N HA 0.414 5.154 4.740 0.000 0.000 0.264 177 N C -1.384 174.176 175.510 0.084 0.000 1.415 177 N CA -0.597 52.559 53.050 0.177 0.000 0.815 177 N CB 1.952 40.537 38.487 0.164 0.000 1.514 177 N HN -0.151 nan 8.380 nan 0.000 0.523 178 L N 1.495 122.753 121.223 0.058 0.000 2.470 178 L HA 0.553 4.893 4.340 0.000 0.000 0.268 178 L C -1.046 175.816 176.870 -0.015 0.000 0.964 178 L CA -0.553 54.272 54.840 -0.025 0.000 0.839 178 L CB 2.497 44.542 42.059 -0.023 0.000 1.276 178 L HN 0.483 nan 8.230 nan 0.000 0.403 179 I N 4.751 125.200 120.570 -0.202 0.000 2.411 179 I HA 0.388 4.559 4.170 0.000 0.000 0.284 179 I C -0.967 175.082 176.117 -0.113 0.000 1.012 179 I CA -0.513 60.681 61.300 -0.178 0.000 1.119 179 I CB 1.120 38.824 38.000 -0.493 0.000 1.261 179 I HN 0.501 nan 8.210 nan 0.000 0.448 180 L N 8.208 129.433 121.223 0.003 0.000 2.369 180 L HA 0.523 4.863 4.340 0.000 0.000 0.279 180 L C 0.491 177.398 176.870 0.063 0.000 1.108 180 L CA -0.171 54.685 54.840 0.027 0.000 0.852 180 L CB 1.000 43.074 42.059 0.026 0.000 1.169 180 L HN 0.785 nan 8.230 nan 0.000 0.452 181 A N 3.714 126.584 122.820 0.083 0.000 3.410 181 A HA 0.417 4.738 4.320 0.000 0.000 0.276 181 A C 0.388 178.025 177.584 0.088 0.000 0.995 181 A CA -0.262 51.840 52.037 0.109 0.000 0.934 181 A CB 0.718 19.830 19.000 0.186 0.000 1.191 181 A HN 0.508 nan 8.150 nan 0.000 0.511 182 V N 0.099 120.049 119.914 0.060 0.000 3.590 182 V HA 0.338 4.458 4.120 0.000 0.000 0.265 182 V C 1.655 177.781 176.094 0.052 0.000 1.239 182 V CA 1.504 63.830 62.300 0.043 0.000 1.117 182 V CB -0.494 31.338 31.823 0.015 0.000 0.818 182 V HN 1.516 nan 8.190 nan 0.000 0.451 183 G N 0.605 109.440 108.800 0.058 0.000 2.601 183 G HA2 0.022 3.982 3.960 0.000 0.000 0.252 183 G HA3 0.022 3.982 3.960 0.000 0.000 0.252 183 G C -0.019 174.911 174.900 0.050 0.000 1.294 183 G CA -0.032 45.105 45.100 0.061 0.000 0.912 183 G HN 1.332 nan 8.290 nan 0.000 0.574 184 A N -0.807 122.051 122.820 0.064 0.000 2.380 184 A HA 0.968 5.288 4.320 0.000 0.000 0.315 184 A C 0.531 178.169 177.584 0.089 0.000 1.101 184 A CA 0.716 52.788 52.037 0.058 0.000 0.771 184 A CB 1.588 20.616 19.000 0.046 0.000 1.287 184 A HN 2.387 nan 8.150 nan 0.000 0.436 185 G N 0.644 109.483 108.800 0.066 0.000 2.437 185 G HA2 0.655 4.615 3.960 0.000 0.000 0.319 185 G HA3 0.655 4.615 3.960 0.000 0.000 0.319 185 G C -2.719 172.235 174.900 0.089 0.000 1.158 185 G CA -1.783 43.363 45.100 0.075 0.000 0.899 185 G HN 0.540 nan 8.290 nan 0.000 0.502 186 P HA 0.082 nan 4.420 nan 0.000 0.264 186 P C 0.810 178.112 177.300 0.003 0.000 1.193 186 P CA 0.165 63.304 63.100 0.065 0.000 0.763 186 P CB 0.750 32.388 31.700 -0.103 0.000 0.810 187 G N 2.132 110.936 108.800 0.006 0.000 2.699 187 G HA2 0.368 4.328 3.960 0.000 0.000 0.246 187 G HA3 0.368 4.328 3.960 0.000 0.000 0.246 187 G C -0.298 174.569 174.900 -0.055 0.000 1.219 187 G CA 0.143 45.230 45.100 -0.020 0.000 0.866 187 G HN 0.651 nan 8.290 nan 0.000 0.572 188 T N -1.429 113.093 114.554 -0.052 0.000 2.816 188 T HA 0.504 4.854 4.350 0.000 0.000 0.299 188 T C -1.734 172.932 174.700 -0.057 0.000 1.230 188 T CA -0.574 61.485 62.100 -0.068 0.000 1.007 188 T CB 1.496 70.326 68.868 -0.064 0.000 1.289 188 T HN 0.441 nan 8.240 nan 0.000 0.508 189 L N 2.429 123.614 121.223 -0.063 0.000 2.333 189 L HA 0.586 4.927 4.340 0.000 0.000 0.280 189 L C -0.879 175.964 176.870 -0.046 0.000 1.004 189 L CA -0.282 54.527 54.840 -0.051 0.000 0.820 189 L CB 1.634 43.660 42.059 -0.055 0.000 1.247 189 L HN 0.646 nan 8.230 nan 0.000 0.416 190 D N 3.248 123.626 120.400 -0.036 0.000 2.558 190 D HA 0.385 5.025 4.640 0.000 0.000 0.221 190 D C -0.965 175.316 176.300 -0.030 0.000 1.143 190 D CA 0.588 54.569 54.000 -0.033 0.000 1.010 190 D CB 0.340 41.124 40.800 -0.027 0.000 1.068 190 D HN 0.231 nan 8.370 nan 0.000 0.511 191 V N 2.920 122.814 119.914 -0.035 0.000 2.971 191 V HA 0.531 4.651 4.120 0.000 0.000 0.309 191 V C -2.448 173.625 176.094 -0.034 0.000 1.130 191 V CA -2.218 60.064 62.300 -0.031 0.000 0.964 191 V CB 2.718 34.522 31.823 -0.032 0.000 1.029 191 V HN 0.225 nan 8.190 nan 0.000 0.427 192 P HA 0.319 nan 4.420 nan 0.000 0.267 192 P C 0.572 177.851 177.300 -0.034 0.000 1.209 192 P CA 1.316 64.398 63.100 -0.030 0.000 0.763 192 P CB 0.953 32.639 31.700 -0.024 0.000 0.816 193 G N 2.265 111.042 108.800 -0.039 0.000 2.213 193 G HA2 -0.314 3.646 3.960 0.000 0.000 0.226 193 G HA3 -0.314 3.646 3.960 0.000 0.000 0.226 193 G C 0.813 175.677 174.900 -0.060 0.000 0.992 193 G CA 0.029 45.102 45.100 -0.045 0.000 0.632 193 G HN 0.482 nan 8.290 nan 0.000 0.511 194 V N 0.900 120.777 119.914 -0.062 0.000 2.764 194 V HA -0.141 3.980 4.120 0.000 0.000 0.261 194 V C 1.783 177.818 176.094 -0.098 0.000 1.108 194 V CA 2.789 65.042 62.300 -0.079 0.000 1.129 194 V CB -0.283 31.497 31.823 -0.072 0.000 0.701 194 V HN 0.605 nan 8.190 nan 0.000 0.495 195 N N -0.400 118.247 118.700 -0.088 0.000 2.187 195 N HA 0.261 5.001 4.740 0.000 0.000 0.212 195 N C 0.538 175.984 175.510 -0.107 0.000 1.152 195 N CA 0.534 53.523 53.050 -0.101 0.000 0.872 195 N CB 0.589 39.029 38.487 -0.078 0.000 1.025 195 N HN 0.496 nan 8.380 nan 0.000 0.514 196 A N 1.442 124.204 122.820 -0.097 0.000 2.546 196 A HA -0.003 4.318 4.320 0.000 0.000 0.243 196 A C 1.293 178.803 177.584 -0.123 0.000 1.063 196 A CA 0.143 52.127 52.037 -0.089 0.000 0.757 196 A CB 0.332 19.291 19.000 -0.068 0.000 0.991 196 A HN 0.217 nan 8.150 nan 0.000 0.503 197 K N 2.409 122.740 120.400 -0.115 0.000 2.148 197 K HA -0.264 4.056 4.320 0.000 0.000 0.213 197 K C 1.846 178.353 176.600 -0.155 0.000 1.050 197 K CA 1.973 58.176 56.287 -0.139 0.000 0.932 197 K CB -0.276 32.153 32.500 -0.118 0.000 0.717 197 K HN 0.853 nan 8.250 nan 0.000 0.462 198 G N 0.929 109.692 108.800 -0.061 0.000 2.598 198 G HA2 -0.021 3.939 3.960 0.000 0.000 0.215 198 G HA3 -0.021 3.939 3.960 0.000 0.000 0.215 198 G C 0.479 175.380 174.900 0.003 0.000 1.131 198 G CA 0.015 45.195 45.100 0.132 0.000 0.785 198 G HN 0.042 nan 8.290 nan 0.000 0.539 199 V N 0.491 120.268 119.914 -0.228 0.000 2.649 199 V HA 0.582 4.703 4.120 0.000 0.000 0.292 199 V C -0.390 175.380 176.094 -0.539 0.000 1.055 199 V CA -0.304 61.832 62.300 -0.273 0.000 1.023 199 V CB 0.762 32.457 31.823 -0.213 0.000 0.992 199 V HN 0.090 nan 8.190 nan 0.000 0.480 200 F N 1.729 121.555 119.950 -0.206 0.000 2.613 200 F HA 0.609 5.136 4.527 0.000 0.000 0.310 200 F C -0.362 175.187 175.800 -0.419 0.000 1.085 200 F CA -0.928 56.977 58.000 -0.158 0.000 0.945 200 F CB 2.195 41.201 39.000 0.011 0.000 1.298 200 F HN 0.716 nan 8.300 nan 0.000 0.455 201 D N -1.949 118.343 120.400 -0.181 0.000 2.531 201 D HA 0.255 4.896 4.640 0.000 0.000 0.244 201 D C 0.632 176.793 176.300 -0.232 0.000 1.090 201 D CA -0.588 53.036 54.000 -0.626 0.000 0.989 201 D CB 0.517 41.073 40.800 -0.407 0.000 1.433 201 D HN 0.626 nan 8.370 nan 0.000 0.492 202 H N -0.223 118.730 119.070 -0.195 0.000 2.362 202 H HA -0.190 4.366 4.556 0.000 0.000 0.294 202 H C 1.584 177.072 175.328 0.267 0.000 1.113 202 H CA 2.718 58.851 56.048 0.142 0.000 1.253 202 H CB -0.587 29.186 29.762 0.017 0.000 1.363 202 H HN 0.405 nan 8.280 nan 0.000 0.494 203 A N -0.228 122.280 122.820 -0.520 0.000 1.855 203 A HA -0.102 4.219 4.320 0.000 0.000 0.213 203 A C 2.598 180.282 177.584 0.167 0.000 1.195 203 A CA 1.698 53.681 52.037 -0.090 0.000 0.610 203 A CB -1.189 17.677 19.000 -0.223 0.000 0.837 203 A HN 0.580 nan 8.150 nan 0.000 0.444 204 T N -0.631 114.000 114.554 0.128 0.000 3.051 204 T HA -0.053 4.298 4.350 0.000 0.000 0.269 204 T C 1.601 176.607 174.700 0.511 0.000 1.127 204 T CA 1.269 63.526 62.100 0.261 0.000 1.107 204 T CB -0.492 68.462 68.868 0.144 0.000 0.898 204 T HN 0.234 nan 8.240 nan 0.000 0.517 205 L N 1.706 123.235 121.223 0.511 0.000 2.179 205 L HA 0.176 4.516 4.340 0.000 0.000 0.208 205 L C 2.194 179.277 176.870 0.355 0.000 1.096 205 L CA 1.390 56.504 54.840 0.457 0.000 0.779 205 L CB -0.393 41.977 42.059 0.517 0.000 0.922 205 L HN 0.285 nan 8.230 nan 0.000 0.443 206 V N -4.130 116.018 119.914 0.390 0.000 3.577 206 V HA 0.201 4.322 4.120 0.000 0.000 0.294 206 V C 1.219 177.498 176.094 0.307 0.000 1.317 206 V CA 0.686 63.213 62.300 0.378 0.000 1.169 206 V CB -0.255 31.841 31.823 0.454 0.000 1.011 206 V HN 0.408 nan 8.190 nan 0.000 0.426 207 E N 0.100 120.491 120.200 0.317 0.000 2.576 207 E HA 0.240 4.590 4.350 0.000 0.000 0.214 207 E C 1.308 178.086 176.600 0.297 0.000 0.859 207 E CA 0.282 56.852 56.400 0.284 0.000 1.399 207 E CB 0.691 30.563 29.700 0.286 0.000 1.374 207 E HN 0.676 nan 8.360 nan 0.000 0.718 208 E N -0.003 120.437 120.200 0.399 0.000 2.630 208 E HA 0.145 4.495 4.350 0.000 0.000 0.218 208 E C -0.478 176.494 176.600 0.621 0.000 0.977 208 E CA -0.138 56.540 56.400 0.462 0.000 1.038 208 E CB 0.827 30.774 29.700 0.413 0.000 1.051 208 E HN -0.055 nan 8.360 nan 0.000 0.487 209 L N 3.204 124.682 121.223 0.426 0.000 2.382 209 L HA 0.057 4.397 4.340 0.000 0.000 0.259 209 L C 0.444 177.457 176.870 0.239 0.000 1.291 209 L CA 0.314 55.288 54.840 0.223 0.000 1.176 209 L CB -0.060 41.950 42.059 -0.081 0.000 1.373 209 L HN 0.017 nan 8.230 nan 0.000 0.426 210 D N 2.055 122.694 120.400 0.399 0.000 2.336 210 D HA 0.005 4.645 4.640 0.000 0.000 0.228 210 D C -0.133 176.383 176.300 0.360 0.000 1.120 210 D CA -0.054 54.133 54.000 0.312 0.000 0.839 210 D CB -0.309 40.652 40.800 0.269 0.000 0.932 210 D HN 0.490 nan 8.370 nan 0.000 0.509 211 Y N -2.433 117.933 120.300 0.110 0.000 2.689 211 Y HA 0.622 5.172 4.550 0.000 0.000 0.333 211 Y C -1.337 174.568 175.900 0.008 0.000 1.208 211 Y CA -1.710 56.430 58.100 0.066 0.000 1.055 211 Y CB 0.820 39.333 38.460 0.088 0.000 1.304 211 Y HN -0.223 nan 8.280 nan 0.000 0.455 212 E N 2.993 123.104 120.200 -0.149 0.000 2.146 212 E HA 0.517 4.867 4.350 0.000 0.000 0.282 212 E C -2.711 173.660 176.600 -0.382 0.000 0.989 212 E CA -2.429 53.785 56.400 -0.310 0.000 0.799 212 E CB 1.127 30.748 29.700 -0.131 0.000 1.088 212 E HN 0.451 nan 8.360 nan 0.000 0.397 213 P HA 0.134 nan 4.420 nan 0.000 0.270 213 P C -0.113 177.050 177.300 -0.228 0.000 1.227 213 P CA -0.037 62.741 63.100 -0.537 0.000 0.788 213 P CB 0.712 31.690 31.700 -1.203 0.000 0.926 214 G N -0.445 108.311 108.800 -0.074 0.000 2.525 214 G HA2 0.247 4.207 3.960 0.000 0.000 0.287 214 G HA3 0.247 4.207 3.960 0.000 0.000 0.287 214 G C 1.002 175.866 174.900 -0.061 0.000 1.350 214 G CA 0.001 45.083 45.100 -0.029 0.000 1.039 214 G HN 0.490 nan 8.290 nan 0.000 0.513 215 S N -1.794 113.888 115.700 -0.030 0.000 2.537 215 S HA 0.066 4.536 4.470 0.000 0.000 0.240 215 S C 0.724 175.312 174.600 -0.020 0.000 0.981 215 S CA 0.981 59.162 58.200 -0.032 0.000 0.948 215 S CB -0.253 62.936 63.200 -0.018 0.000 0.759 215 S HN 0.483 nan 8.310 nan 0.000 0.531 216 T N 1.088 115.641 114.554 -0.001 0.000 2.912 216 T HA 0.680 5.030 4.350 0.000 0.000 0.299 216 T C -1.064 173.668 174.700 0.053 0.000 1.052 216 T CA -0.636 61.476 62.100 0.021 0.000 0.996 216 T CB 2.074 70.959 68.868 0.029 0.000 1.070 216 T HN 0.030 nan 8.240 nan 0.000 0.465 217 V N 2.067 122.016 119.914 0.058 0.000 2.925 217 V HA 0.650 4.770 4.120 0.000 0.000 0.311 217 V C -0.823 175.307 176.094 0.060 0.000 1.104 217 V CA -0.813 61.543 62.300 0.092 0.000 0.954 217 V CB 2.373 34.231 31.823 0.059 0.000 1.022 217 V HN 0.743 nan 8.190 nan 0.000 0.427 218 V N 3.906 123.839 119.914 0.032 0.000 2.448 218 V HA 0.578 4.698 4.120 0.000 0.000 0.295 218 V C -0.516 175.613 176.094 0.058 0.000 1.025 218 V CA -0.573 61.751 62.300 0.040 0.000 0.859 218 V CB 2.020 33.855 31.823 0.021 0.000 0.988 218 V HN 0.608 nan 8.190 nan 0.000 0.431 219 V N 5.494 125.482 119.914 0.122 0.000 2.448 219 V HA 0.467 4.587 4.120 0.000 0.000 0.295 219 V C -0.277 175.900 176.094 0.139 0.000 1.025 219 V CA -0.632 61.794 62.300 0.210 0.000 0.859 219 V CB 2.059 34.065 31.823 0.305 0.000 0.988 219 V HN 0.612 nan 8.190 nan 0.000 0.431 220 V N 4.207 124.186 119.914 0.109 0.000 2.350 220 V HA 0.970 5.090 4.120 0.000 0.000 0.276 220 V C 0.602 176.734 176.094 0.064 0.000 1.028 220 V CA 0.395 62.728 62.300 0.055 0.000 0.860 220 V CB 0.602 32.426 31.823 0.003 0.000 0.990 220 V HN 1.262 nan 8.190 nan 0.000 0.453 221 G N 3.328 112.165 108.800 0.062 0.000 2.339 221 G HA2 0.441 4.401 3.960 0.000 0.000 0.381 221 G HA3 0.441 4.401 3.960 0.000 0.000 0.381 221 G C -0.018 174.921 174.900 0.064 0.000 1.400 221 G CA -0.120 45.015 45.100 0.059 0.000 1.002 221 G HN 1.066 nan 8.290 nan 0.000 0.633 222 G N -0.922 107.907 108.800 0.049 0.000 3.815 222 G HA2 0.551 4.511 3.960 0.000 0.000 0.265 222 G HA3 0.551 4.511 3.960 0.000 0.000 0.265 222 G C 0.434 175.354 174.900 0.034 0.000 1.026 222 G CA 1.536 46.660 45.100 0.041 0.000 0.868 222 G HN 1.118 nan 8.290 nan 0.000 0.476 223 S N -0.580 115.144 115.700 0.040 0.000 2.713 223 S HA 0.467 4.937 4.470 0.000 0.000 0.296 223 S C 1.547 176.170 174.600 0.038 0.000 1.114 223 S CA -0.458 57.761 58.200 0.031 0.000 0.997 223 S CB 1.137 64.352 63.200 0.026 0.000 1.249 223 S HN 0.165 nan 8.310 nan 0.000 0.534 224 K N 0.206 120.616 120.400 0.017 0.000 2.050 224 K HA -0.240 4.080 4.320 0.000 0.000 0.233 224 K C 2.178 178.790 176.600 0.019 0.000 0.929 224 K CA 2.703 58.980 56.287 -0.016 0.000 1.037 224 K CB -1.349 31.104 32.500 -0.078 0.000 0.663 224 K HN 0.904 nan 8.250 nan 0.000 0.589 225 T N -0.517 114.045 114.554 0.014 0.000 2.680 225 T HA -0.265 4.085 4.350 0.000 0.000 0.268 225 T C 1.992 176.850 174.700 0.263 0.000 1.033 225 T CA 1.920 64.096 62.100 0.126 0.000 1.152 225 T CB -0.567 68.353 68.868 0.085 0.000 0.859 225 T HN 0.413 nan 8.240 nan 0.000 0.452 226 A N 1.061 124.008 122.820 0.211 0.000 1.858 226 A HA 0.052 4.372 4.320 0.000 0.000 0.216 226 A C 2.755 180.457 177.584 0.196 0.000 1.190 226 A CA 1.913 54.102 52.037 0.254 0.000 0.617 226 A CB -1.174 17.930 19.000 0.173 0.000 0.827 226 A HN 0.462 nan 8.150 nan 0.000 0.443 227 V N 0.045 120.033 119.914 0.123 0.000 2.343 227 V HA -0.279 3.841 4.120 0.000 0.000 0.247 227 V C 2.425 178.555 176.094 0.059 0.000 1.051 227 V CA 2.377 64.723 62.300 0.077 0.000 1.036 227 V CB -0.928 30.923 31.823 0.047 0.000 0.654 227 V HN 0.651 nan 8.190 nan 0.000 0.451 228 E N -0.756 119.501 120.200 0.094 0.000 2.012 228 E HA -0.254 4.096 4.350 0.000 0.000 0.197 228 E C 2.139 178.738 176.600 -0.001 0.000 1.007 228 E CA 2.136 58.586 56.400 0.083 0.000 0.816 228 E CB -0.343 29.432 29.700 0.126 0.000 0.762 228 E HN 0.704 nan 8.360 nan 0.000 0.451 229 Y N 0.358 120.572 120.300 -0.144 0.000 2.333 229 Y HA -0.136 4.414 4.550 0.000 0.000 0.290 229 Y C 2.377 177.993 175.900 -0.473 0.000 1.144 229 Y CA 0.655 58.483 58.100 -0.454 0.000 1.228 229 Y CB -0.377 37.583 38.460 -0.834 0.000 0.985 229 Y HN 0.140 nan 8.280 nan 0.000 0.542 230 G N -0.719 108.100 108.800 0.031 0.000 2.453 230 G HA2 -0.267 3.693 3.960 0.000 0.000 0.215 230 G HA3 -0.267 3.693 3.960 0.000 0.000 0.215 230 G C 1.612 176.531 174.900 0.032 0.000 1.201 230 G CA 1.260 46.437 45.100 0.129 0.000 0.784 230 G HN 0.454 nan 8.290 nan 0.000 0.545 231 C N 0.243 119.497 119.300 -0.077 0.000 2.422 231 C HA 0.037 4.497 4.460 0.000 0.000 0.286 231 C C 2.352 177.316 174.990 -0.043 0.000 1.412 231 C CA 0.493 59.368 59.018 -0.238 0.000 1.786 231 C CB -1.371 25.913 27.740 -0.760 0.000 1.835 231 C HN 0.466 nan 8.230 nan 0.000 0.533 232 F N 0.788 120.579 119.950 -0.265 0.000 2.219 232 F HA 0.105 4.632 4.527 0.000 0.000 0.294 232 F C 1.759 177.428 175.800 -0.218 0.000 1.086 232 F CA 1.113 58.935 58.000 -0.296 0.000 1.330 232 F CB -0.749 37.922 39.000 -0.550 0.000 1.047 232 F HN 0.147 nan 8.300 nan 0.000 0.495 233 F N 1.002 120.659 119.950 -0.488 0.000 2.186 233 F HA -0.082 4.445 4.527 0.000 0.000 0.299 233 F C 2.404 178.033 175.800 -0.285 0.000 1.090 233 F CA 1.409 59.087 58.000 -0.536 0.000 1.307 233 F CB -1.715 37.156 39.000 -0.216 0.000 1.019 233 F HN 0.139 nan 8.300 nan 0.000 0.489 234 N N 0.748 119.492 118.700 0.074 0.000 2.025 234 N HA -0.216 4.524 4.740 0.000 0.000 0.194 234 N C 1.946 177.470 175.510 0.023 0.000 1.044 234 N CA 1.820 54.923 53.050 0.087 0.000 0.851 234 N CB -0.427 38.174 38.487 0.191 0.000 1.036 234 N HN 0.129 nan 8.380 nan 0.000 0.422 235 A N -0.572 122.292 122.820 0.074 0.000 1.997 235 A HA -0.193 4.127 4.320 0.000 0.000 0.221 235 A C 2.122 179.664 177.584 -0.069 0.000 1.172 235 A CA 2.314 54.359 52.037 0.013 0.000 0.645 235 A CB -1.651 17.435 19.000 0.142 0.000 0.813 235 A HN 0.686 nan 8.150 nan 0.000 0.454 236 T N -3.326 111.123 114.554 -0.174 0.000 3.227 236 T HA 0.360 4.710 4.350 0.000 0.000 0.257 236 T C 1.210 175.838 174.700 -0.119 0.000 1.162 236 T CA 0.937 62.927 62.100 -0.183 0.000 1.051 236 T CB -0.648 68.016 68.868 -0.340 0.000 0.953 236 T HN 1.833 nan 8.240 nan 0.000 0.535 237 G N 1.516 110.264 108.800 -0.087 0.000 2.256 237 G HA2 -0.239 3.721 3.960 0.000 0.000 0.272 237 G HA3 -0.239 3.721 3.960 0.000 0.000 0.272 237 G C -0.181 174.682 174.900 -0.061 0.000 1.076 237 G CA -0.420 44.640 45.100 -0.066 0.000 0.882 237 G HN 0.692 nan 8.290 nan 0.000 0.497 238 R N -0.274 120.194 120.500 -0.055 0.000 2.439 238 R HA 0.409 4.749 4.340 0.000 0.000 0.310 238 R C 0.712 177.008 176.300 -0.007 0.000 0.955 238 R CA -1.023 55.051 56.100 -0.044 0.000 0.853 238 R CB 1.398 31.654 30.300 -0.073 0.000 1.171 238 R HN 0.308 nan 8.270 nan 0.000 0.449 239 R N 2.228 122.726 120.500 -0.003 0.000 2.485 239 R HA -0.032 4.308 4.340 0.000 0.000 0.304 239 R C -0.969 175.351 176.300 0.033 0.000 0.934 239 R CA 0.913 57.021 56.100 0.012 0.000 1.102 239 R CB 0.306 30.611 30.300 0.009 0.000 0.906 239 R HN 0.478 nan 8.270 nan 0.000 0.407 240 T N 4.569 119.154 114.554 0.051 0.000 2.786 240 T HA 0.304 4.654 4.350 0.000 0.000 0.283 240 T C -0.698 174.044 174.700 0.070 0.000 0.992 240 T CA -0.574 61.575 62.100 0.080 0.000 0.954 240 T CB 1.657 70.600 68.868 0.125 0.000 0.934 240 T HN 0.320 nan 8.240 nan 0.000 0.440 241 V N 5.291 125.246 119.914 0.067 0.000 2.334 241 V HA 0.406 4.526 4.120 0.000 0.000 0.281 241 V C 0.010 176.144 176.094 0.066 0.000 1.016 241 V CA -0.714 61.619 62.300 0.055 0.000 0.832 241 V CB 1.188 33.034 31.823 0.038 0.000 0.999 241 V HN 0.879 nan 8.190 nan 0.000 0.439 242 M N 5.922 125.562 119.600 0.066 0.000 2.188 242 M HA 0.515 4.995 4.480 0.000 0.000 0.357 242 M C -0.867 175.463 176.300 0.049 0.000 1.204 242 M CA -0.210 55.133 55.300 0.072 0.000 1.095 242 M CB 1.221 33.865 32.600 0.073 0.000 1.604 242 M HN 0.421 nan 8.290 nan 0.000 0.464 243 L N 4.458 125.709 121.223 0.047 0.000 2.324 243 L HA 0.477 4.817 4.340 0.000 0.000 0.274 243 L C -0.812 176.075 176.870 0.027 0.000 1.012 243 L CA -0.807 54.050 54.840 0.029 0.000 0.859 243 L CB 1.125 43.197 42.059 0.022 0.000 1.224 243 L HN 0.397 nan 8.230 nan 0.000 0.429 244 V N 3.424 123.351 119.914 0.022 0.000 2.439 244 V HA 0.274 4.395 4.120 0.000 0.000 0.282 244 V C 1.244 177.343 176.094 0.009 0.000 1.039 244 V CA -0.459 61.852 62.300 0.018 0.000 0.913 244 V CB 1.800 33.633 31.823 0.016 0.000 0.983 244 V HN 0.761 nan 8.190 nan 0.000 0.460 245 R N 1.994 122.499 120.500 0.007 0.000 2.092 245 R HA -0.099 4.242 4.340 0.000 0.000 0.231 245 R C 1.562 177.863 176.300 0.000 0.000 1.119 245 R CA 2.097 58.199 56.100 0.002 0.000 0.970 245 R CB 0.185 30.485 30.300 0.000 0.000 0.864 245 R HN 0.989 nan 8.270 nan 0.000 0.440 246 T N -2.749 111.806 114.554 0.001 0.000 3.257 246 T HA 0.265 4.615 4.350 0.000 0.000 0.176 246 T C -0.040 174.657 174.700 -0.004 0.000 0.892 246 T CA -0.574 61.525 62.100 -0.002 0.000 1.147 246 T CB 0.438 69.304 68.868 -0.003 0.000 1.840 246 T HN -0.106 nan 8.240 nan 0.000 0.375 247 E N 2.173 122.370 120.200 -0.006 0.000 2.314 247 E HA 0.486 4.836 4.350 0.000 0.000 0.272 247 E C -2.917 173.677 176.600 -0.009 0.000 0.884 247 E CA -2.330 54.064 56.400 -0.010 0.000 0.753 247 E CB 2.487 32.177 29.700 -0.016 0.000 1.213 247 E HN 0.335 nan 8.360 nan 0.000 0.432 248 P HA 0.239 nan 4.420 nan 0.000 0.278 248 P C 0.222 177.509 177.300 -0.021 0.000 1.238 248 P CA -0.328 62.768 63.100 -0.006 0.000 0.794 248 P CB 0.883 32.581 31.700 -0.002 0.000 0.955 249 L N 0.203 121.415 121.223 -0.017 0.000 3.762 249 L HA -0.251 4.089 4.340 0.000 0.000 0.460 249 L C 1.452 178.281 176.870 -0.068 0.000 1.255 249 L CA 0.390 55.206 54.840 -0.040 0.000 0.783 249 L CB -1.469 40.562 42.059 -0.047 0.000 1.600 249 L HN 0.536 nan 8.230 nan 0.000 0.862 250 K N -0.180 120.191 120.400 -0.047 0.000 2.211 250 K HA -0.109 4.212 4.320 0.000 0.000 0.203 250 K C 1.803 178.355 176.600 -0.080 0.000 1.050 250 K CA 0.864 57.119 56.287 -0.053 0.000 0.945 250 K CB 0.066 32.551 32.500 -0.025 0.000 0.732 250 K HN 0.253 nan 8.250 nan 0.000 0.451 251 L N 1.323 122.500 121.223 -0.077 0.000 2.261 251 L HA -0.096 4.244 4.340 0.000 0.000 0.216 251 L C 0.944 177.573 176.870 -0.401 0.000 1.114 251 L CA 1.386 56.165 54.840 -0.101 0.000 0.777 251 L CB -0.234 41.838 42.059 0.022 0.000 0.910 251 L HN 0.095 nan 8.230 nan 0.000 0.440 252 I N -0.203 120.109 120.570 -0.429 0.000 2.224 252 I HA -0.004 4.167 4.170 0.000 0.000 0.293 252 I C 1.266 177.207 176.117 -0.292 0.000 1.155 252 I CA -0.146 60.813 61.300 -0.569 0.000 1.297 252 I CB 0.020 37.796 38.000 -0.373 0.000 1.487 252 I HN 0.117 nan 8.210 nan 0.000 0.564 253 K N 2.002 122.265 120.400 -0.228 0.000 2.044 253 K HA -0.202 4.119 4.320 0.000 0.000 0.210 253 K C 0.634 177.153 176.600 -0.135 0.000 1.049 253 K CA 1.270 57.489 56.287 -0.114 0.000 0.927 253 K CB -0.197 32.284 32.500 -0.031 0.000 0.713 253 K HN 0.477 nan 8.250 nan 0.000 0.443 254 D N 0.714 120.984 120.400 -0.215 0.000 2.434 254 D HA -0.012 4.628 4.640 0.000 0.000 0.252 254 D C 0.436 176.632 176.300 -0.174 0.000 1.185 254 D CA 0.257 54.082 54.000 -0.293 0.000 0.886 254 D CB 0.444 40.836 40.800 -0.679 0.000 1.148 254 D HN 0.088 nan 8.370 nan 0.000 0.483 255 N N 2.761 121.386 118.700 -0.123 0.000 2.013 255 N HA -0.209 4.531 4.740 0.000 0.000 0.195 255 N C 1.225 176.670 175.510 -0.109 0.000 1.051 255 N CA 1.095 54.086 53.050 -0.098 0.000 0.851 255 N CB 0.013 38.457 38.487 -0.071 0.000 1.044 255 N HN 0.582 nan 8.380 nan 0.000 0.422 256 E N 0.048 120.192 120.200 -0.094 0.000 2.086 256 E HA -0.217 4.133 4.350 0.000 0.000 0.200 256 E C 2.013 178.418 176.600 -0.325 0.000 1.012 256 E CA 1.690 57.994 56.400 -0.160 0.000 0.812 256 E CB -0.222 29.466 29.700 -0.020 0.000 0.743 256 E HN 0.418 nan 8.360 nan 0.000 0.453 257 T N 0.679 115.148 114.554 -0.142 0.000 2.652 257 T HA -0.213 4.137 4.350 0.000 0.000 0.267 257 T C 1.839 176.479 174.700 -0.100 0.000 1.039 257 T CA 1.396 63.456 62.100 -0.067 0.000 1.153 257 T CB -0.254 68.709 68.868 0.158 0.000 0.863 257 T HN 0.160 nan 8.240 nan 0.000 0.428 258 R N 0.906 121.343 120.500 -0.105 0.000 2.127 258 R HA -0.082 4.258 4.340 0.000 0.000 0.238 258 R C 2.523 178.757 176.300 -0.110 0.000 1.134 258 R CA 1.407 57.445 56.100 -0.105 0.000 0.975 258 R CB -0.408 29.822 30.300 -0.116 0.000 0.865 258 R HN 0.410 nan 8.270 nan 0.000 0.447 259 A N 0.083 122.822 122.820 -0.135 0.000 1.855 259 A HA -0.210 4.110 4.320 0.000 0.000 0.215 259 A C 1.976 179.462 177.584 -0.164 0.000 1.191 259 A CA 1.230 53.184 52.037 -0.137 0.000 0.613 259 A CB -0.983 17.935 19.000 -0.138 0.000 0.829 259 A HN 0.561 nan 8.150 nan 0.000 0.442 260 Y N 1.001 121.086 120.300 -0.359 0.000 2.114 260 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 260 Y C 2.343 178.094 175.900 -0.249 0.000 1.165 260 Y CA 2.099 59.969 58.100 -0.383 0.000 1.148 260 Y CB -0.588 37.468 38.460 -0.674 0.000 0.972 260 Y HN 0.069 nan 8.280 nan 0.000 0.504 261 V N 0.639 120.440 119.914 -0.189 0.000 2.219 261 V HA -0.394 3.727 4.120 0.000 0.000 0.248 261 V C 2.549 178.536 176.094 -0.179 0.000 1.053 261 V CA 2.294 64.489 62.300 -0.174 0.000 1.009 261 V CB -1.096 30.702 31.823 -0.042 0.000 0.636 261 V HN 0.491 nan 8.190 nan 0.000 0.445 262 L N -0.011 121.134 121.223 -0.131 0.000 1.978 262 L HA -0.284 4.057 4.340 0.000 0.000 0.218 262 L C 2.483 179.281 176.870 -0.120 0.000 1.075 262 L CA 2.138 56.920 54.840 -0.097 0.000 0.767 262 L CB -1.069 40.940 42.059 -0.083 0.000 0.890 262 L HN 0.381 nan 8.230 nan 0.000 0.434 263 D N -0.484 119.813 120.400 -0.171 0.000 2.190 263 D HA -0.181 4.459 4.640 0.000 0.000 0.200 263 D C 2.350 178.544 176.300 -0.178 0.000 0.992 263 D CA 1.015 54.913 54.000 -0.170 0.000 0.854 263 D CB -0.228 40.454 40.800 -0.197 0.000 0.936 263 D HN 0.259 nan 8.370 nan 0.000 0.462 264 R N 0.066 120.412 120.500 -0.256 0.000 2.073 264 R HA 0.057 4.397 4.340 0.000 0.000 0.229 264 R C 2.441 178.743 176.300 0.002 0.000 1.120 264 R CA 0.477 56.485 56.100 -0.154 0.000 0.967 264 R CB -0.633 29.562 30.300 -0.174 0.000 0.862 264 R HN 0.325 nan 8.270 nan 0.000 0.436 265 M N 0.496 120.111 119.600 0.025 0.000 2.067 265 M HA -0.176 4.304 4.480 0.000 0.000 0.260 265 M C 2.085 178.412 176.300 0.045 0.000 1.069 265 M CA 1.687 57.043 55.300 0.092 0.000 1.117 265 M CB -0.252 32.385 32.600 0.062 0.000 1.334 265 M HN -0.135 nan 8.290 nan 0.000 0.407 266 K N 0.590 120.988 120.400 -0.003 0.000 2.034 266 K HA -0.224 4.096 4.320 0.000 0.000 0.214 266 K C 1.707 178.295 176.600 -0.020 0.000 1.051 266 K CA 1.723 58.001 56.287 -0.014 0.000 0.931 266 K CB -0.524 31.953 32.500 -0.037 0.000 0.715 266 K HN 0.355 nan 8.250 nan 0.000 0.446 267 E N 0.123 120.302 120.200 -0.035 0.000 2.333 267 E HA -0.223 4.127 4.350 0.000 0.000 0.200 267 E C 0.992 177.567 176.600 -0.042 0.000 1.010 267 E CA 0.883 57.260 56.400 -0.040 0.000 0.841 267 E CB 0.173 29.851 29.700 -0.038 0.000 0.757 267 E HN 0.234 nan 8.360 nan 0.000 0.508 268 Q N -1.082 118.698 119.800 -0.034 0.000 2.280 268 Q HA 0.094 4.434 4.340 0.000 0.000 0.201 268 Q C 0.910 176.888 176.000 -0.037 0.000 0.890 268 Q CA 0.686 56.446 55.803 -0.071 0.000 0.947 268 Q CB 1.360 30.024 28.738 -0.123 0.000 1.081 268 Q HN 0.454 nan 8.270 nan 0.000 0.502 269 G N 0.920 109.710 108.800 -0.017 0.000 2.157 269 G HA2 -0.257 3.703 3.960 0.000 0.000 0.239 269 G HA3 -0.257 3.703 3.960 0.000 0.000 0.239 269 G C 0.243 175.153 174.900 0.015 0.000 0.982 269 G CA -0.007 45.089 45.100 -0.008 0.000 0.650 269 G HN 0.249 nan 8.290 nan 0.000 0.527 270 M N 1.048 120.669 119.600 0.036 0.000 2.200 270 M HA 0.334 4.814 4.480 0.000 0.000 0.355 270 M C 0.135 176.454 176.300 0.033 0.000 1.283 270 M CA 0.474 55.806 55.300 0.053 0.000 1.124 270 M CB 0.602 33.251 32.600 0.082 0.000 1.625 270 M HN 0.220 nan 8.290 nan 0.000 0.463 271 E N 4.624 124.844 120.200 0.034 0.000 2.073 271 E HA 0.416 4.766 4.350 0.000 0.000 0.269 271 E C -1.041 175.575 176.600 0.027 0.000 0.917 271 E CA -0.230 56.184 56.400 0.023 0.000 0.757 271 E CB 1.107 30.819 29.700 0.019 0.000 1.111 271 E HN 0.565 nan 8.360 nan 0.000 0.410 272 I N 4.312 124.893 120.570 0.019 0.000 2.307 272 I HA 0.234 4.404 4.170 0.000 0.000 0.289 272 I C -0.285 175.839 176.117 0.012 0.000 1.021 272 I CA -0.745 60.567 61.300 0.020 0.000 1.224 272 I CB 0.682 38.690 38.000 0.014 0.000 1.376 272 I HN 0.368 nan 8.210 nan 0.000 0.470 273 I N 5.311 125.890 120.570 0.015 0.000 2.312 273 I HA 0.229 4.399 4.170 0.000 0.000 0.290 273 I C 0.343 176.464 176.117 0.007 0.000 1.008 273 I CA -0.031 61.274 61.300 0.009 0.000 1.226 273 I CB 1.247 39.253 38.000 0.010 0.000 1.371 273 I HN 0.480 nan 8.210 nan 0.000 0.468 274 S N 4.114 119.814 115.700 0.001 0.000 2.525 274 S HA 0.545 5.015 4.470 0.000 0.000 0.278 274 S C 0.885 175.485 174.600 -0.002 0.000 1.234 274 S CA -0.088 58.112 58.200 -0.001 0.000 1.058 274 S CB 1.411 64.607 63.200 -0.006 0.000 0.983 274 S HN 1.025 nan 8.310 nan 0.000 0.495 275 G N 1.845 110.644 108.800 -0.001 0.000 2.212 275 G HA2 -0.218 3.742 3.960 0.000 0.000 0.255 275 G HA3 -0.218 3.742 3.960 0.000 0.000 0.255 275 G C -0.026 174.873 174.900 -0.001 0.000 1.062 275 G CA 0.214 45.312 45.100 -0.002 0.000 0.815 275 G HN 0.849 nan 8.290 nan 0.000 0.497 276 S N -0.034 115.667 115.700 0.001 0.000 2.449 276 S HA 0.677 5.147 4.470 0.000 0.000 0.310 276 S C -0.169 174.431 174.600 0.000 0.000 1.096 276 S CA -0.787 57.413 58.200 0.002 0.000 1.095 276 S CB 0.725 63.928 63.200 0.005 0.000 1.007 276 S HN 0.345 nan 8.310 nan 0.000 0.474 277 N N 3.261 121.960 118.700 -0.002 0.000 2.342 277 N HA 0.301 5.041 4.740 0.000 0.000 0.293 277 N C -0.894 174.612 175.510 -0.007 0.000 1.026 277 N CA -0.444 52.603 53.050 -0.005 0.000 0.857 277 N CB 1.985 40.468 38.487 -0.007 0.000 1.256 277 N HN 0.427 nan 8.380 nan 0.000 0.484 278 V N 2.236 122.144 119.914 -0.010 0.000 2.485 278 V HA -0.021 4.100 4.120 0.000 0.000 0.287 278 V C 1.611 177.696 176.094 -0.014 0.000 1.022 278 V CA 0.546 62.839 62.300 -0.012 0.000 1.067 278 V CB 0.763 32.575 31.823 -0.018 0.000 0.967 278 V HN 0.737 nan 8.190 nan 0.000 0.479 279 T N 5.622 120.169 114.554 -0.012 0.000 2.809 279 T HA 0.050 4.400 4.350 0.000 0.000 0.260 279 T C 0.673 175.363 174.700 -0.016 0.000 1.039 279 T CA 1.312 63.404 62.100 -0.012 0.000 1.141 279 T CB -0.007 68.855 68.868 -0.010 0.000 0.869 279 T HN 0.861 nan 8.240 nan 0.000 0.437 280 R N -0.814 119.676 120.500 -0.016 0.000 2.780 280 R HA 0.486 4.826 4.340 0.000 0.000 0.280 280 R C -2.262 174.026 176.300 -0.020 0.000 1.016 280 R CA -0.846 55.242 56.100 -0.020 0.000 0.854 280 R CB 0.351 30.640 30.300 -0.018 0.000 1.293 280 R HN 0.078 nan 8.270 nan 0.000 0.483 281 I N 1.687 122.242 120.570 -0.025 0.000 2.411 281 I HA 0.263 4.434 4.170 0.000 0.000 0.284 281 I C -0.163 175.941 176.117 -0.022 0.000 1.012 281 I CA -0.794 60.491 61.300 -0.025 0.000 1.119 281 I CB 1.944 39.922 38.000 -0.036 0.000 1.261 281 I HN 0.546 nan 8.210 nan 0.000 0.448 282 E N 5.933 126.124 120.200 -0.015 0.000 2.404 282 E HA 0.208 4.558 4.350 0.000 0.000 0.261 282 E C -0.467 176.124 176.600 -0.015 0.000 1.074 282 E CA -0.098 56.294 56.400 -0.014 0.000 0.917 282 E CB 1.171 30.866 29.700 -0.008 0.000 0.965 282 E HN 0.541 nan 8.360 nan 0.000 0.433 283 E N 1.248 121.437 120.200 -0.017 0.000 2.447 283 E HA 0.321 4.671 4.350 0.000 0.000 0.251 283 E C -0.880 175.710 176.600 -0.018 0.000 0.910 283 E CA -0.858 55.529 56.400 -0.021 0.000 0.841 283 E CB 1.014 30.697 29.700 -0.028 0.000 1.403 283 E HN 0.321 nan 8.360 nan 0.000 0.400 284 D N -0.715 119.671 120.400 -0.023 0.000 2.494 284 D HA 0.352 4.992 4.640 0.000 0.000 0.259 284 D C 0.438 176.726 176.300 -0.020 0.000 1.109 284 D CA -0.508 53.480 54.000 -0.020 0.000 1.040 284 D CB 1.274 42.059 40.800 -0.025 0.000 1.175 284 D HN 0.455 nan 8.370 nan 0.000 0.584 285 A N 0.168 122.978 122.820 -0.017 0.000 2.015 285 A HA -0.151 4.169 4.320 0.000 0.000 0.219 285 A C 1.455 179.028 177.584 -0.019 0.000 1.163 285 A CA 1.340 53.368 52.037 -0.015 0.000 0.646 285 A CB -0.675 18.318 19.000 -0.012 0.000 0.806 285 A HN 0.576 nan 8.150 nan 0.000 0.448 286 N N -1.562 117.124 118.700 -0.023 0.000 2.333 286 N HA 0.187 4.927 4.740 0.000 0.000 0.178 286 N C 1.148 176.637 175.510 -0.034 0.000 1.018 286 N CA 0.576 53.610 53.050 -0.028 0.000 0.882 286 N CB 0.119 38.586 38.487 -0.034 0.000 0.984 286 N HN 0.585 nan 8.380 nan 0.000 0.434 287 G N 1.181 109.959 108.800 -0.038 0.000 2.229 287 G HA2 -0.218 3.743 3.960 0.000 0.000 0.189 287 G HA3 -0.218 3.743 3.960 0.000 0.000 0.189 287 G C 0.132 174.999 174.900 -0.054 0.000 1.000 287 G CA -0.447 44.627 45.100 -0.042 0.000 0.663 287 G HN 0.275 nan 8.290 nan 0.000 0.493 288 R N 0.654 121.116 120.500 -0.064 0.000 2.637 288 R HA 0.594 4.934 4.340 0.000 0.000 0.269 288 R C 0.882 177.155 176.300 -0.045 0.000 1.089 288 R CA -0.234 55.819 56.100 -0.077 0.000 1.177 288 R CB 0.623 30.849 30.300 -0.123 0.000 1.091 288 R HN 0.048 nan 8.270 nan 0.000 0.540 289 V N 2.414 122.312 119.914 -0.026 0.000 3.032 289 V HA -0.093 4.027 4.120 0.000 0.000 0.307 289 V C 1.128 177.231 176.094 0.015 0.000 1.097 289 V CA 0.809 63.110 62.300 0.001 0.000 1.191 289 V CB 1.223 33.065 31.823 0.032 0.000 0.964 289 V HN 0.967 nan 8.190 nan 0.000 0.494 290 Q N 1.606 121.414 119.800 0.014 0.000 2.181 290 Q HA 0.521 4.861 4.340 0.000 0.000 0.244 290 Q C -0.002 176.011 176.000 0.021 0.000 0.745 290 Q CA 0.679 56.492 55.803 0.017 0.000 0.934 290 Q CB 1.367 30.108 28.738 0.004 0.000 1.220 290 Q HN 0.981 nan 8.270 nan 0.000 0.478 291 A N 0.002 122.831 122.820 0.015 0.000 2.569 291 A HA 0.551 4.872 4.320 0.000 0.000 0.292 291 A C -1.812 175.775 177.584 0.005 0.000 1.032 291 A CA -0.428 51.617 52.037 0.014 0.000 0.669 291 A CB 1.407 20.413 19.000 0.010 0.000 1.290 291 A HN 0.022 nan 8.150 nan 0.000 0.422 292 V N 1.020 120.937 119.914 0.006 0.000 2.495 292 V HA 0.614 4.734 4.120 0.000 0.000 0.298 292 V C -0.357 175.737 176.094 -0.001 0.000 1.031 292 V CA -0.573 61.726 62.300 -0.001 0.000 0.871 292 V CB 1.635 33.458 31.823 -0.000 0.000 0.988 292 V HN 0.813 nan 8.190 nan 0.000 0.432 293 V N 3.786 123.697 119.914 -0.005 0.000 2.459 293 V HA 0.945 5.065 4.120 0.000 0.000 0.295 293 V C 0.172 176.263 176.094 -0.005 0.000 1.029 293 V CA -0.215 62.082 62.300 -0.004 0.000 0.874 293 V CB 1.511 33.330 31.823 -0.006 0.000 0.985 293 V HN 1.086 nan 8.190 nan 0.000 0.438 294 A N 4.770 127.587 122.820 -0.003 0.000 2.589 294 A HA 0.837 5.158 4.320 0.000 0.000 0.296 294 A C -1.068 176.514 177.584 -0.003 0.000 1.062 294 A CA -0.687 51.348 52.037 -0.004 0.000 0.686 294 A CB 1.718 20.717 19.000 -0.002 0.000 1.282 294 A HN 0.800 nan 8.150 nan 0.000 0.404 295 M N 2.019 121.617 119.600 -0.004 0.000 2.216 295 M HA 0.629 5.109 4.480 0.000 0.000 0.356 295 M C 0.270 176.568 176.300 -0.003 0.000 1.205 295 M CA 0.449 55.747 55.300 -0.004 0.000 1.122 295 M CB 0.876 33.473 32.600 -0.005 0.000 1.571 295 M HN 1.147 nan 8.290 nan 0.000 0.464 296 T N 2.185 116.738 114.554 -0.003 0.000 2.903 296 T HA 0.632 4.982 4.350 0.000 0.000 0.299 296 T C -2.429 172.269 174.700 -0.003 0.000 1.093 296 T CA -1.601 60.497 62.100 -0.002 0.000 1.002 296 T CB 1.436 70.303 68.868 -0.001 0.000 1.127 296 T HN 0.493 nan 8.240 nan 0.000 0.488 297 P HA -0.110 nan 4.420 nan 0.000 0.218 297 P C 0.518 177.815 177.300 -0.005 0.000 1.150 297 P CA 1.219 64.316 63.100 -0.005 0.000 0.841 297 P CB -0.031 31.666 31.700 -0.005 0.000 0.784 298 N N -0.268 118.430 118.700 -0.004 0.000 3.131 298 N HA 0.348 5.088 4.740 0.000 0.000 0.312 298 N C 0.039 175.547 175.510 -0.004 0.000 1.433 298 N CA 0.178 53.225 53.050 -0.004 0.000 1.141 298 N CB -0.730 37.755 38.487 -0.005 0.000 1.431 298 N HN 0.054 nan 8.380 nan 0.000 0.523 299 G N 0.563 109.360 108.800 -0.004 0.000 2.846 299 G HA2 -0.251 3.709 3.960 0.000 0.000 0.660 299 G HA3 -0.251 3.709 3.960 0.000 0.000 0.660 299 G C -0.439 174.460 174.900 -0.003 0.000 1.464 299 G CA -0.411 44.687 45.100 -0.004 0.000 0.891 299 G HN 0.587 nan 8.290 nan 0.000 0.552 300 E N -0.555 119.643 120.200 -0.003 0.000 2.410 300 E HA 0.584 4.934 4.350 0.000 0.000 0.255 300 E C 0.820 177.419 176.600 -0.002 0.000 1.194 300 E CA 0.338 56.736 56.400 -0.003 0.000 0.955 300 E CB 0.280 29.978 29.700 -0.004 0.000 0.988 300 E HN 1.020 nan 8.360 nan 0.000 0.461 301 M N 0.789 120.388 119.600 -0.001 0.000 2.490 301 M HA 0.441 4.921 4.480 0.000 0.000 0.286 301 M C -1.250 175.050 176.300 0.001 0.000 1.185 301 M CA -0.896 54.404 55.300 0.000 0.000 0.912 301 M CB 1.962 34.563 32.600 0.001 0.000 1.744 301 M HN 0.323 nan 8.290 nan 0.000 0.494 302 R N 2.272 122.773 120.500 0.002 0.000 2.637 302 R HA 0.898 5.238 4.340 0.000 0.000 0.291 302 R C -1.979 174.325 176.300 0.005 0.000 0.963 302 R CA -0.718 55.384 56.100 0.002 0.000 0.901 302 R CB 1.971 32.272 30.300 0.001 0.000 1.160 302 R HN 0.979 nan 8.270 nan 0.000 0.457 303 I N 2.545 123.120 120.570 0.008 0.000 2.548 303 I HA 0.273 4.443 4.170 0.000 0.000 0.287 303 I C -1.067 175.060 176.117 0.016 0.000 1.103 303 I CA -0.591 60.716 61.300 0.012 0.000 1.049 303 I CB 2.038 40.047 38.000 0.015 0.000 1.232 303 I HN 0.732 nan 8.210 nan 0.000 0.429 304 E N 5.015 125.226 120.200 0.018 0.000 2.290 304 E HA 0.395 4.745 4.350 0.000 0.000 0.277 304 E C -0.671 175.950 176.600 0.036 0.000 1.035 304 E CA 0.002 56.416 56.400 0.024 0.000 0.873 304 E CB 1.381 31.093 29.700 0.020 0.000 1.029 304 E HN 0.534 nan 8.360 nan 0.000 0.419 305 T N 1.523 116.106 114.554 0.049 0.000 3.393 305 T HA 0.051 4.401 4.350 0.000 0.000 0.359 305 T C -1.135 173.632 174.700 0.112 0.000 1.380 305 T CA -0.910 61.238 62.100 0.080 0.000 1.132 305 T CB 0.838 69.755 68.868 0.082 0.000 1.284 305 T HN 0.477 nan 8.240 nan 0.000 0.477 306 D N 3.012 123.512 120.400 0.167 0.000 2.395 306 D HA 0.234 4.874 4.640 0.000 0.000 0.226 306 D C -0.080 176.477 176.300 0.428 0.000 1.146 306 D CA -0.176 53.960 54.000 0.227 0.000 0.830 306 D CB -0.239 40.700 40.800 0.230 0.000 0.958 306 D HN 0.288 nan 8.370 nan 0.000 0.501 307 F N 0.405 120.436 119.950 0.134 0.000 2.605 307 F HA 0.434 4.961 4.527 0.000 0.000 0.320 307 F C -1.952 173.890 175.800 0.070 0.000 1.159 307 F CA -0.989 57.098 58.000 0.145 0.000 0.999 307 F CB 1.840 40.835 39.000 -0.008 0.000 1.258 307 F HN -0.230 nan 8.300 nan 0.000 0.464 308 V N 6.932 126.613 119.914 -0.388 0.000 2.569 308 V HA 0.386 4.507 4.120 0.000 0.000 0.301 308 V C -1.229 174.660 176.094 -0.342 0.000 1.044 308 V CA -0.831 61.289 62.300 -0.301 0.000 0.874 308 V CB 1.778 33.525 31.823 -0.126 0.000 1.002 308 V HN 0.635 nan 8.190 nan 0.000 0.424 309 F N 5.645 125.350 119.950 -0.409 0.000 2.427 309 F HA 0.678 5.205 4.527 0.000 0.000 0.346 309 F C -0.357 175.414 175.800 -0.048 0.000 1.120 309 F CA -0.643 57.244 58.000 -0.189 0.000 1.033 309 F CB 1.145 40.137 39.000 -0.014 0.000 1.126 309 F HN 0.345 nan 8.300 nan 0.000 0.462 310 L N 6.223 127.048 121.223 -0.663 0.000 2.281 310 L HA 0.418 4.758 4.340 0.000 0.000 0.285 310 L C 0.678 177.190 176.870 -0.596 0.000 1.074 310 L CA -0.472 54.090 54.840 -0.463 0.000 0.817 310 L CB 1.002 42.844 42.059 -0.362 0.000 1.168 310 L HN 0.929 nan 8.230 nan 0.000 0.434 311 G N 5.327 114.042 108.800 -0.141 0.000 4.975 311 G HA2 0.498 4.458 3.960 0.000 0.000 0.312 311 G HA3 0.498 4.458 3.960 0.000 0.000 0.312 311 G C -0.239 174.676 174.900 0.025 0.000 1.425 311 G CA -0.289 44.832 45.100 0.036 0.000 1.076 311 G HN 0.350 nan 8.290 nan 0.000 0.586 312 L N 0.539 121.744 121.223 -0.029 0.000 2.387 312 L HA 0.668 5.008 4.340 0.000 0.000 0.266 312 L C 1.383 178.257 176.870 0.007 0.000 1.059 312 L CA -1.105 53.729 54.840 -0.010 0.000 0.801 312 L CB 0.965 43.006 42.059 -0.030 0.000 1.223 312 L HN 0.293 nan 8.230 nan 0.000 0.456 313 G N 0.221 109.026 108.800 0.010 0.000 2.647 313 G HA2 0.088 4.048 3.960 0.000 0.000 0.234 313 G HA3 0.088 4.048 3.960 0.000 0.000 0.234 313 G C -0.383 174.530 174.900 0.022 0.000 1.252 313 G CA -0.210 44.899 45.100 0.014 0.000 0.846 313 G HN 0.649 nan 8.290 nan 0.000 0.589 314 E N -0.044 120.173 120.200 0.029 0.000 2.289 314 E HA 0.219 4.569 4.350 0.000 0.000 0.278 314 E C -0.161 176.457 176.600 0.031 0.000 1.032 314 E CA -0.310 56.118 56.400 0.048 0.000 0.854 314 E CB 0.637 30.370 29.700 0.054 0.000 1.046 314 E HN 0.233 nan 8.360 nan 0.000 0.409 315 Q N 4.968 124.786 119.800 0.031 0.000 2.360 315 Q HA 0.304 4.644 4.340 0.000 0.000 0.254 315 Q C -2.245 173.766 176.000 0.018 0.000 0.975 315 Q CA -2.627 53.186 55.803 0.017 0.000 0.912 315 Q CB 0.814 29.556 28.738 0.007 0.000 1.212 315 Q HN 0.383 nan 8.270 nan 0.000 0.452 316 P HA -0.067 nan 4.420 nan 0.000 0.258 316 P C -0.263 177.043 177.300 0.009 0.000 1.172 316 P CA 0.393 63.501 63.100 0.014 0.000 0.762 316 P CB 0.356 32.062 31.700 0.009 0.000 0.764 317 R N 2.435 122.941 120.500 0.010 0.000 4.164 317 R HA 0.069 4.409 4.340 0.000 0.000 0.195 317 R C 1.143 177.442 176.300 -0.001 0.000 1.712 317 R CA 0.127 56.227 56.100 -0.000 0.000 1.457 317 R CB -0.430 29.867 30.300 -0.006 0.000 1.387 317 R HN 0.563 nan 8.270 nan 0.000 0.785 318 S N 0.042 115.741 115.700 -0.002 0.000 2.452 318 S HA 0.032 4.502 4.470 0.000 0.000 0.225 318 S C 2.130 176.726 174.600 -0.006 0.000 1.057 318 S CA 0.293 58.492 58.200 -0.002 0.000 0.949 318 S CB 0.006 63.206 63.200 -0.001 0.000 0.836 318 S HN 0.424 nan 8.310 nan 0.000 0.518 319 A N 2.594 125.410 122.820 -0.007 0.000 1.883 319 A HA -0.416 3.904 4.320 0.000 0.000 0.269 319 A C 2.063 179.641 177.584 -0.010 0.000 2.559 319 A CA 2.677 54.709 52.037 -0.009 0.000 0.908 319 A CB -1.777 17.216 19.000 -0.011 0.000 0.807 319 A HN 0.732 nan 8.150 nan 0.000 0.505 320 E N -0.693 119.500 120.200 -0.011 0.000 2.118 320 E HA -0.166 4.184 4.350 0.000 0.000 0.195 320 E C 2.015 178.609 176.600 -0.010 0.000 0.992 320 E CA 1.327 57.720 56.400 -0.011 0.000 0.804 320 E CB -0.197 29.495 29.700 -0.014 0.000 0.741 320 E HN 0.682 nan 8.360 nan 0.000 0.458 321 L N -0.174 121.043 121.223 -0.009 0.000 2.131 321 L HA -0.017 4.323 4.340 0.000 0.000 0.206 321 L C 2.427 179.291 176.870 -0.011 0.000 1.087 321 L CA 0.764 55.599 54.840 -0.009 0.000 0.767 321 L CB -0.195 41.859 42.059 -0.007 0.000 0.917 321 L HN 0.115 nan 8.230 nan 0.000 0.441 322 A N -0.390 122.424 122.820 -0.010 0.000 2.209 322 A HA -0.154 4.166 4.320 0.000 0.000 0.212 322 A C 2.293 179.870 177.584 -0.012 0.000 1.158 322 A CA 1.186 53.216 52.037 -0.011 0.000 0.742 322 A CB -0.264 18.731 19.000 -0.010 0.000 0.790 322 A HN 0.340 nan 8.150 nan 0.000 0.472 323 K N -0.192 120.202 120.400 -0.010 0.000 2.121 323 K HA 0.143 4.463 4.320 0.000 0.000 0.203 323 K C 1.648 178.242 176.600 -0.009 0.000 1.041 323 K CA 0.696 56.978 56.287 -0.009 0.000 0.969 323 K CB -0.171 32.324 32.500 -0.008 0.000 0.799 323 K HN 0.392 nan 8.250 nan 0.000 0.456 324 I N 1.571 122.135 120.570 -0.009 0.000 2.179 324 I HA -0.241 3.929 4.170 0.000 0.000 0.242 324 I C 1.718 177.827 176.117 -0.013 0.000 1.088 324 I CA 0.866 62.161 61.300 -0.008 0.000 1.357 324 I CB -0.088 37.909 38.000 -0.006 0.000 1.051 324 I HN 0.208 nan 8.210 nan 0.000 0.409 325 L N 0.218 121.430 121.223 -0.018 0.000 2.529 325 L HA 0.216 4.556 4.340 0.000 0.000 0.223 325 L C 1.380 178.234 176.870 -0.026 0.000 1.113 325 L CA 0.892 55.715 54.840 -0.028 0.000 0.861 325 L CB -1.473 40.565 42.059 -0.036 0.000 1.012 325 L HN 0.494 nan 8.230 nan 0.000 0.461 326 G N 1.472 110.260 108.800 -0.020 0.000 2.298 326 G HA2 -0.264 3.697 3.960 0.000 0.000 0.287 326 G HA3 -0.264 3.697 3.960 0.000 0.000 0.287 326 G C 0.173 175.061 174.900 -0.021 0.000 1.075 326 G CA 0.123 45.212 45.100 -0.018 0.000 0.960 326 G HN 0.302 nan 8.290 nan 0.000 0.502 327 L N -0.589 120.621 121.223 -0.021 0.000 2.456 327 L HA 0.515 4.855 4.340 0.000 0.000 0.257 327 L C 0.388 177.248 176.870 -0.017 0.000 1.162 327 L CA -1.051 53.776 54.840 -0.022 0.000 0.808 327 L CB 0.420 42.466 42.059 -0.021 0.000 1.136 327 L HN -0.013 nan 8.230 nan 0.000 0.466 328 D N 1.522 121.913 120.400 -0.017 0.000 2.256 328 D HA 0.554 5.194 4.640 0.000 0.000 0.250 328 D C -0.326 175.968 176.300 -0.009 0.000 1.093 328 D CA 0.019 54.012 54.000 -0.012 0.000 0.882 328 D CB 1.351 42.144 40.800 -0.012 0.000 1.185 328 D HN 0.233 nan 8.370 nan 0.000 0.437 329 L N 0.714 121.933 121.223 -0.008 0.000 2.301 329 L HA 0.704 5.045 4.340 0.000 0.000 0.264 329 L C 1.028 177.896 176.870 -0.005 0.000 1.016 329 L CA -1.071 53.766 54.840 -0.006 0.000 0.821 329 L CB 1.911 43.966 42.059 -0.005 0.000 1.346 329 L HN 0.325 nan 8.230 nan 0.000 0.429 330 G N -0.383 108.415 108.800 -0.003 0.000 2.613 330 G HA2 0.464 4.424 3.960 0.000 0.000 0.303 330 G HA3 0.464 4.424 3.960 0.000 0.000 0.303 330 G C -1.924 172.975 174.900 -0.002 0.000 1.312 330 G CA -0.926 44.173 45.100 -0.003 0.000 1.036 330 G HN 0.475 nan 8.290 nan 0.000 0.513 331 P HA -0.045 nan 4.420 nan 0.000 0.228 331 P C 0.749 178.048 177.300 -0.001 0.000 1.151 331 P CA 1.079 64.178 63.100 -0.001 0.000 0.770 331 P CB 0.370 32.070 31.700 -0.001 0.000 0.786 332 K N -0.818 119.582 120.400 -0.000 0.000 2.387 332 K HA 0.317 4.638 4.320 0.000 0.000 0.203 332 K C 0.970 177.570 176.600 -0.000 0.000 1.030 332 K CA 0.576 56.863 56.287 0.001 0.000 1.099 332 K CB -0.001 32.501 32.500 0.003 0.000 0.863 332 K HN 0.064 nan 8.250 nan 0.000 0.529 333 G N 1.813 110.613 108.800 -0.001 0.000 2.141 333 G HA2 -0.235 3.725 3.960 0.000 0.000 0.242 333 G HA3 -0.235 3.725 3.960 0.000 0.000 0.242 333 G C -0.540 174.361 174.900 0.000 0.000 0.982 333 G CA 0.339 45.438 45.100 -0.001 0.000 0.662 333 G HN 0.462 nan 8.290 nan 0.000 0.527 334 E N 1.238 121.439 120.200 0.001 0.000 2.223 334 E HA 0.416 4.766 4.350 0.000 0.000 0.282 334 E C 0.372 176.973 176.600 0.002 0.000 1.046 334 E CA -0.716 55.685 56.400 0.002 0.000 0.857 334 E CB 1.761 31.462 29.700 0.002 0.000 1.055 334 E HN 0.276 nan 8.360 nan 0.000 0.409 335 V N 5.379 125.295 119.914 0.004 0.000 2.475 335 V HA -0.094 4.026 4.120 0.000 0.000 0.292 335 V C 0.949 177.045 176.094 0.004 0.000 1.003 335 V CA 0.292 62.594 62.300 0.003 0.000 1.120 335 V CB -0.514 31.314 31.823 0.008 0.000 0.937 335 V HN 0.576 nan 8.190 nan 0.000 0.476 336 L N 6.574 127.796 121.223 -0.002 0.000 2.456 336 L HA 0.443 4.783 4.340 0.000 0.000 0.272 336 L C 0.008 176.877 176.870 -0.002 0.000 1.189 336 L CA 0.149 54.987 54.840 -0.003 0.000 0.846 336 L CB 0.976 43.031 42.059 -0.007 0.000 1.111 336 L HN 0.655 nan 8.230 nan 0.000 0.475 337 V N -0.416 119.500 119.914 0.003 0.000 2.932 337 V HA 0.520 4.640 4.120 0.000 0.000 0.307 337 V C -0.479 175.619 176.094 0.007 0.000 1.147 337 V CA -1.121 61.187 62.300 0.012 0.000 0.951 337 V CB 1.718 33.568 31.823 0.044 0.000 1.031 337 V HN 0.830 nan 8.190 nan 0.000 0.426 338 N N 2.203 120.913 118.700 0.016 0.000 2.374 338 N HA 0.156 4.896 4.740 0.000 0.000 0.284 338 N C 0.776 176.256 175.510 -0.050 0.000 1.280 338 N CA 0.173 53.223 53.050 0.000 0.000 0.963 338 N CB 0.163 38.682 38.487 0.054 0.000 1.141 338 N HN 0.937 nan 8.380 nan 0.000 0.565 339 E N -1.796 118.290 120.200 -0.191 0.000 2.515 339 E HA -0.142 4.209 4.350 0.000 0.000 0.201 339 E C -0.267 176.028 176.600 -0.507 0.000 1.071 339 E CA 0.851 57.024 56.400 -0.379 0.000 0.880 339 E CB -0.622 28.753 29.700 -0.541 0.000 0.828 339 E HN 0.597 nan 8.360 nan 0.000 0.540 340 Y N 0.254 120.611 120.300 0.095 0.000 2.716 340 Y HA 0.257 4.807 4.550 0.001 0.000 0.260 340 Y C 0.259 176.308 175.900 0.249 0.000 1.141 340 Y CA -0.879 57.315 58.100 0.157 0.000 1.168 340 Y CB 0.833 39.373 38.460 0.135 0.000 1.189 340 Y HN -0.076 nan 8.280 nan 0.000 0.549 341 L N -0.265 121.125 121.223 0.279 0.000 4.367 341 L HA -0.341 3.999 4.340 0.000 0.000 0.424 341 L C -0.106 176.911 176.870 0.245 0.000 1.152 341 L CA 1.080 56.100 54.840 0.300 0.000 0.974 341 L CB -2.275 40.020 42.059 0.394 0.000 2.012 341 L HN 0.501 nan 8.230 nan 0.000 0.922 342 Q N 0.138 119.982 119.800 0.073 0.000 2.267 342 Q HA 0.442 4.783 4.340 0.000 0.000 0.255 342 Q C 1.067 176.997 176.000 -0.117 0.000 0.923 342 Q CA 0.234 55.906 55.803 -0.219 0.000 0.925 342 Q CB 1.415 30.041 28.738 -0.187 0.000 1.195 342 Q HN 0.432 nan 8.270 nan 0.000 0.417 343 T N -1.859 112.601 114.554 -0.157 0.000 2.810 343 T HA 0.124 4.474 4.350 0.000 0.000 0.277 343 T C 1.439 176.090 174.700 -0.082 0.000 0.973 343 T CA -0.182 61.868 62.100 -0.083 0.000 0.949 343 T CB 0.915 69.742 68.868 -0.069 0.000 1.075 343 T HN 0.637 nan 8.240 nan 0.000 0.537 344 S N -0.404 115.264 115.700 -0.053 0.000 2.374 344 S HA -0.064 4.406 4.470 0.000 0.000 0.227 344 S C 1.001 175.565 174.600 -0.059 0.000 1.037 344 S CA 0.577 58.750 58.200 -0.045 0.000 1.024 344 S CB -0.976 62.206 63.200 -0.031 0.000 0.861 344 S HN 0.619 nan 8.310 nan 0.000 0.456 345 V N 5.260 125.132 119.914 -0.070 0.000 2.686 345 V HA 0.306 4.426 4.120 0.000 0.000 0.295 345 V C -1.842 174.182 176.094 -0.117 0.000 1.055 345 V CA -1.976 60.276 62.300 -0.080 0.000 1.050 345 V CB 0.717 32.493 31.823 -0.079 0.000 0.984 345 V HN 0.355 nan 8.190 nan 0.000 0.482 346 P HA 0.205 nan 4.420 nan 0.000 0.274 346 P C -0.005 177.218 177.300 -0.127 0.000 1.231 346 P CA -0.115 62.917 63.100 -0.114 0.000 0.790 346 P CB 0.589 32.258 31.700 -0.052 0.000 0.951 347 N N -2.009 116.618 118.700 -0.122 0.000 2.900 347 N HA -0.117 4.623 4.740 0.000 0.000 0.240 347 N C -0.423 175.076 175.510 -0.019 0.000 0.953 347 N CA 0.835 53.884 53.050 -0.002 0.000 0.950 347 N CB -1.582 36.941 38.487 0.059 0.000 1.102 347 N HN 0.249 nan 8.380 nan 0.000 0.593 348 V N 1.448 121.251 119.914 -0.184 0.000 2.459 348 V HA 0.505 4.625 4.120 0.000 0.000 0.295 348 V C -0.327 175.639 176.094 -0.213 0.000 1.029 348 V CA -0.516 61.723 62.300 -0.102 0.000 0.874 348 V CB 1.262 33.024 31.823 -0.102 0.000 0.985 348 V HN 0.052 nan 8.190 nan 0.000 0.438 349 Y N 2.139 122.412 120.300 -0.045 0.000 2.499 349 Y HA 0.807 5.358 4.550 0.000 0.000 0.347 349 Y C 0.282 176.172 175.900 -0.016 0.000 0.987 349 Y CA -0.838 57.253 58.100 -0.016 0.000 1.044 349 Y CB 2.169 40.621 38.460 -0.013 0.000 1.245 349 Y HN 0.694 nan 8.280 nan 0.000 0.461 350 A N 1.078 123.998 122.820 0.166 0.000 2.365 350 A HA 0.758 5.078 4.320 0.000 0.000 0.318 350 A C 0.057 177.716 177.584 0.126 0.000 1.091 350 A CA -0.118 51.982 52.037 0.105 0.000 0.763 350 A CB 1.087 20.123 19.000 0.061 0.000 1.248 350 A HN 0.995 nan 8.150 nan 0.000 0.442 351 V N 0.010 119.986 119.914 0.104 0.000 3.193 351 V HA 0.422 4.542 4.120 0.000 0.000 0.237 351 V C 1.182 177.317 176.094 0.068 0.000 1.447 351 V CA 1.020 63.384 62.300 0.106 0.000 1.227 351 V CB -1.009 30.886 31.823 0.120 0.000 1.040 351 V HN 1.125 nan 8.190 nan 0.000 0.458 352 G N 0.848 109.684 108.800 0.059 0.000 2.394 352 G HA2 0.064 4.024 3.960 0.000 0.000 0.256 352 G HA3 0.064 4.024 3.960 0.000 0.000 0.256 352 G C 0.510 175.415 174.900 0.008 0.000 1.504 352 G CA 0.837 45.957 45.100 0.034 0.000 1.051 352 G HN 0.331 nan 8.290 nan 0.000 0.550 353 D N -0.710 119.694 120.400 0.007 0.000 2.310 353 D HA -0.084 4.556 4.640 0.000 0.000 0.212 353 D C 2.383 178.686 176.300 0.005 0.000 0.965 353 D CA 0.106 54.102 54.000 -0.007 0.000 0.879 353 D CB -0.106 40.699 40.800 0.008 0.000 0.921 353 D HN 0.126 nan 8.370 nan 0.000 0.510 354 L N 0.674 121.908 121.223 0.019 0.000 2.197 354 L HA -0.146 4.194 4.340 0.000 0.000 0.215 354 L C 1.514 178.394 176.870 0.016 0.000 1.095 354 L CA 1.411 56.263 54.840 0.021 0.000 0.764 354 L CB -0.208 41.870 42.059 0.030 0.000 0.897 354 L HN 0.033 nan 8.230 nan 0.000 0.436 355 I N -0.638 119.941 120.570 0.014 0.000 3.884 355 I HA 0.301 4.471 4.170 0.000 0.000 0.330 355 I C 1.286 177.401 176.117 -0.004 0.000 1.451 355 I CA 0.104 61.410 61.300 0.010 0.000 1.165 355 I CB -1.072 36.940 38.000 0.020 0.000 1.097 355 I HN 0.354 nan 8.210 nan 0.000 0.404 356 G N 1.169 109.965 108.800 -0.006 0.000 2.645 356 G HA2 -0.210 3.750 3.960 0.000 0.000 0.246 356 G HA3 -0.210 3.750 3.960 0.000 0.000 0.246 356 G C 0.343 175.226 174.900 -0.027 0.000 1.322 356 G CA -0.497 44.597 45.100 -0.011 0.000 0.898 356 G HN 0.556 nan 8.290 nan 0.000 0.573 357 G N 1.042 109.833 108.800 -0.016 0.000 2.554 357 G HA2 0.539 4.500 3.960 0.000 0.000 0.238 357 G HA3 0.539 4.500 3.960 0.000 0.000 0.238 357 G C -1.315 173.563 174.900 -0.035 0.000 1.259 357 G CA 0.388 45.476 45.100 -0.021 0.000 0.843 357 G HN 0.766 nan 8.290 nan 0.000 0.582 358 P HA 0.174 nan 4.420 nan 0.000 0.279 358 P C -0.198 176.960 177.300 -0.237 0.000 1.239 358 P CA -0.198 62.805 63.100 -0.162 0.000 0.789 358 P CB 1.105 32.567 31.700 -0.396 0.000 0.933 359 M N 2.216 121.718 119.600 -0.164 0.000 3.590 359 M HA 0.196 4.676 4.480 0.000 0.000 0.214 359 M C 0.197 176.383 176.300 -0.189 0.000 1.306 359 M CA 0.084 55.293 55.300 -0.152 0.000 1.479 359 M CB 0.080 32.635 32.600 -0.074 0.000 1.083 359 M HN 0.207 nan 8.290 nan 0.000 0.617 360 E N 0.649 120.641 120.200 -0.348 0.000 2.263 360 E HA 0.370 4.720 4.350 0.000 0.000 0.264 360 E C 0.707 177.106 176.600 -0.334 0.000 0.923 360 E CA -0.658 55.541 56.400 -0.334 0.000 0.802 360 E CB 1.630 31.043 29.700 -0.478 0.000 1.228 360 E HN 0.305 nan 8.360 nan 0.000 0.417 361 M N 0.650 120.173 119.600 -0.128 0.000 2.073 361 M HA -0.150 4.330 4.480 0.000 0.000 0.258 361 M C 2.205 178.433 176.300 -0.120 0.000 1.070 361 M CA 1.742 57.000 55.300 -0.070 0.000 1.103 361 M CB -1.260 31.359 32.600 0.032 0.000 1.321 361 M HN 0.628 nan 8.290 nan 0.000 0.405 362 F N 0.870 120.758 119.950 -0.105 0.000 2.091 362 F HA -0.195 4.333 4.527 0.000 0.000 0.299 362 F C 2.258 177.940 175.800 -0.197 0.000 1.103 362 F CA 1.728 59.625 58.000 -0.172 0.000 1.228 362 F CB -1.249 37.674 39.000 -0.128 0.000 0.984 362 F HN 0.068 nan 8.300 nan 0.000 0.477 363 K N 0.963 120.883 120.400 -0.801 0.000 2.032 363 K HA -0.149 4.171 4.320 0.000 0.000 0.209 363 K C 2.365 178.844 176.600 -0.202 0.000 1.048 363 K CA 1.349 57.391 56.287 -0.408 0.000 0.927 363 K CB -0.647 31.499 32.500 -0.591 0.000 0.712 363 K HN 0.423 nan 8.250 nan 0.000 0.441 364 A N 1.756 124.438 122.820 -0.230 0.000 1.883 364 A HA -0.191 4.130 4.320 0.000 0.000 0.217 364 A C 2.124 179.603 177.584 -0.176 0.000 1.186 364 A CA 1.500 53.457 52.037 -0.134 0.000 0.624 364 A CB -0.439 18.507 19.000 -0.089 0.000 0.822 364 A HN 0.328 nan 8.150 nan 0.000 0.444 365 R N -0.493 119.829 120.500 -0.297 0.000 2.073 365 R HA -0.044 4.297 4.340 0.000 0.000 0.229 365 R C 2.248 178.100 176.300 -0.746 0.000 1.120 365 R CA 1.374 57.112 56.100 -0.603 0.000 0.967 365 R CB -0.320 29.482 30.300 -0.829 0.000 0.862 365 R HN 0.505 nan 8.270 nan 0.000 0.436 366 K N 0.742 120.745 120.400 -0.663 0.000 1.984 366 K HA -0.106 4.214 4.320 0.000 0.000 0.209 366 K C 2.409 178.475 176.600 -0.890 0.000 1.046 366 K CA 1.846 57.517 56.287 -1.026 0.000 0.934 366 K CB -0.221 31.623 32.500 -1.094 0.000 0.717 366 K HN 0.155 nan 8.250 nan 0.000 0.438 367 S N 0.563 116.013 115.700 -0.417 0.000 2.372 367 S HA -0.185 4.285 4.470 0.000 0.000 0.227 367 S C 2.270 176.862 174.600 -0.015 0.000 1.044 367 S CA 1.551 59.739 58.200 -0.020 0.000 1.050 367 S CB -1.222 62.070 63.200 0.154 0.000 0.901 367 S HN 0.426 nan 8.310 nan 0.000 0.447 368 G N 0.081 108.852 108.800 -0.048 0.000 2.422 368 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 368 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 368 G C 1.763 176.709 174.900 0.077 0.000 1.140 368 G CA 0.850 45.998 45.100 0.080 0.000 0.775 368 G HN 0.689 nan 8.290 nan 0.000 0.545 369 C N -0.645 118.586 119.300 -0.116 0.000 2.518 369 C HA 0.145 4.605 4.460 0.000 0.000 0.279 369 C C 2.429 177.302 174.990 -0.194 0.000 1.279 369 C CA 0.833 59.736 59.018 -0.190 0.000 1.703 369 C CB -1.140 26.358 27.740 -0.402 0.000 2.072 369 C HN 0.555 nan 8.230 nan 0.000 0.487 370 Y N 1.369 121.538 120.300 -0.220 0.000 2.193 370 Y HA -0.219 4.331 4.550 0.000 0.000 0.285 370 Y C 2.820 178.686 175.900 -0.057 0.000 1.166 370 Y CA 0.989 59.002 58.100 -0.146 0.000 1.181 370 Y CB -0.447 37.948 38.460 -0.110 0.000 0.976 370 Y HN 0.476 nan 8.280 nan 0.000 0.520 371 A N 0.470 123.362 122.820 0.121 0.000 1.845 371 A HA -0.208 4.113 4.320 0.000 0.000 0.215 371 A C 2.439 179.913 177.584 -0.183 0.000 1.195 371 A CA 1.813 53.823 52.037 -0.044 0.000 0.616 371 A CB -1.306 17.655 19.000 -0.065 0.000 0.832 371 A HN 0.431 nan 8.150 nan 0.000 0.443 372 A N -0.220 122.580 122.820 -0.033 0.000 1.948 372 A HA -0.251 4.069 4.320 0.000 0.000 0.220 372 A C 2.235 179.853 177.584 0.057 0.000 1.177 372 A CA 1.904 53.977 52.037 0.059 0.000 0.636 372 A CB -0.532 18.637 19.000 0.282 0.000 0.815 372 A HN 0.594 nan 8.150 nan 0.000 0.449 373 R N -0.553 119.985 120.500 0.064 0.000 2.073 373 R HA -0.111 4.229 4.340 0.000 0.000 0.234 373 R C 1.957 178.300 176.300 0.072 0.000 1.134 373 R CA 1.428 57.590 56.100 0.102 0.000 0.952 373 R CB -0.389 29.959 30.300 0.081 0.000 0.850 373 R HN 0.527 nan 8.270 nan 0.000 0.433 374 N N 0.514 119.241 118.700 0.045 0.000 2.120 374 N HA -0.142 4.598 4.740 0.000 0.000 0.188 374 N C 1.952 177.482 175.510 0.034 0.000 1.024 374 N CA 1.646 54.737 53.050 0.068 0.000 0.852 374 N CB -0.423 38.165 38.487 0.168 0.000 1.003 374 N HN 0.210 nan 8.380 nan 0.000 0.424 375 V N -0.923 118.938 119.914 -0.088 0.000 2.720 375 V HA -0.049 4.071 4.120 0.000 0.000 0.256 375 V C 1.536 177.651 176.094 0.036 0.000 1.082 375 V CA 1.220 63.498 62.300 -0.038 0.000 1.101 375 V CB -0.453 31.276 31.823 -0.156 0.000 0.693 375 V HN 0.089 nan 8.190 nan 0.000 0.479 376 M N 0.930 120.557 119.600 0.046 0.000 2.654 376 M HA 0.367 4.847 4.480 0.000 0.000 0.217 376 M C 1.706 178.042 176.300 0.060 0.000 1.183 376 M CA 0.711 56.050 55.300 0.066 0.000 0.991 376 M CB -1.015 31.639 32.600 0.091 0.000 1.749 376 M HN 0.786 nan 8.290 nan 0.000 0.475 377 G N 0.054 108.887 108.800 0.054 0.000 2.234 377 G HA2 -0.211 3.749 3.960 0.000 0.000 0.235 377 G HA3 -0.211 3.749 3.960 0.000 0.000 0.235 377 G C 0.184 175.105 174.900 0.036 0.000 0.997 377 G CA -0.183 44.942 45.100 0.042 0.000 0.623 377 G HN 0.478 nan 8.290 nan 0.000 0.514 378 E N 0.617 120.849 120.200 0.052 0.000 2.418 378 E HA 0.330 4.680 4.350 0.000 0.000 0.261 378 E C 0.139 176.765 176.600 0.042 0.000 1.070 378 E CA 0.128 56.561 56.400 0.055 0.000 0.931 378 E CB 0.371 30.118 29.700 0.079 0.000 0.954 378 E HN 0.068 nan 8.360 nan 0.000 0.439 379 K N 2.365 122.791 120.400 0.043 0.000 3.174 379 K HA 0.252 4.572 4.320 0.000 0.000 0.207 379 K C -0.754 175.976 176.600 0.216 0.000 1.190 379 K CA -0.448 55.859 56.287 0.033 0.000 1.054 379 K CB -0.046 32.436 32.500 -0.029 0.000 1.154 379 K HN 0.287 nan 8.250 nan 0.000 0.495 380 I N 1.554 122.247 120.570 0.206 0.000 2.395 380 I HA 0.023 4.193 4.170 0.000 0.000 0.289 380 I C 0.670 176.895 176.117 0.180 0.000 1.023 380 I CA 0.055 61.423 61.300 0.113 0.000 1.350 380 I CB 1.270 39.235 38.000 -0.059 0.000 1.409 380 I HN 0.164 nan 8.210 nan 0.000 0.507 381 S N 6.157 121.852 115.700 -0.009 0.000 2.475 381 S HA 0.645 5.116 4.470 0.000 0.000 0.298 381 S C -0.981 173.556 174.600 -0.104 0.000 1.119 381 S CA -0.672 57.402 58.200 -0.211 0.000 1.085 381 S CB 1.362 64.343 63.200 -0.365 0.000 1.028 381 S HN 0.452 nan 8.310 nan 0.000 0.489 382 Y N 2.010 122.198 120.300 -0.185 0.000 2.346 382 Y HA 0.555 5.105 4.550 0.000 0.000 0.332 382 Y C -0.735 175.167 175.900 0.004 0.000 0.985 382 Y CA -0.832 57.230 58.100 -0.064 0.000 1.112 382 Y CB 1.923 40.469 38.460 0.144 0.000 1.170 382 Y HN 0.954 nan 8.280 nan 0.000 0.447 383 T N 5.231 119.518 114.554 -0.444 0.000 3.198 383 T HA 0.338 4.688 4.350 0.000 0.000 0.352 383 T C -3.147 171.325 174.700 -0.379 0.000 1.197 383 T CA -1.803 60.039 62.100 -0.429 0.000 1.427 383 T CB 0.809 69.568 68.868 -0.182 0.000 0.983 383 T HN 0.503 nan 8.240 nan 0.000 0.560 384 P HA 0.076 nan 4.420 nan 0.000 0.253 384 P C -0.617 176.833 177.300 0.250 0.000 1.159 384 P CA 0.435 63.511 63.100 -0.040 0.000 0.779 384 P CB 0.012 31.692 31.700 -0.033 0.000 0.745 385 K N 1.762 122.349 120.400 0.311 0.000 2.557 385 K HA 0.373 4.693 4.320 0.000 0.000 0.257 385 K C -0.708 175.939 176.600 0.078 0.000 0.933 385 K CA -1.041 55.346 56.287 0.167 0.000 0.820 385 K CB 0.964 33.499 32.500 0.058 0.000 1.330 385 K HN 0.085 nan 8.250 nan 0.000 0.432 386 N N 1.144 119.748 118.700 -0.161 0.000 2.688 386 N HA -0.172 4.569 4.740 0.000 0.000 0.261 386 N C -1.606 173.859 175.510 -0.076 0.000 1.116 386 N CA 1.204 54.163 53.050 -0.152 0.000 0.689 386 N CB -1.364 37.096 38.487 -0.046 0.000 0.882 386 N HN 0.699 nan 8.380 nan 0.000 0.554 387 Y N -1.513 118.819 120.300 0.054 0.000 2.562 387 Y HA 0.859 5.410 4.550 0.001 0.000 0.343 387 Y C -2.474 173.431 175.900 0.008 0.000 1.025 387 Y CA -2.672 55.423 58.100 -0.009 0.000 1.082 387 Y CB 0.548 39.026 38.460 0.030 0.000 1.264 387 Y HN -0.064 nan 8.280 nan 0.000 0.478 388 P HA 0.255 nan 4.420 nan 0.000 0.277 388 P C -1.122 176.273 177.300 0.159 0.000 1.240 388 P CA 0.247 63.421 63.100 0.123 0.000 0.798 388 P CB 1.965 33.704 31.700 0.066 0.000 0.979 389 D N 0.312 120.656 120.400 -0.095 0.000 2.610 389 D HA 0.717 5.357 4.640 0.000 0.000 0.271 389 D C -1.170 174.770 176.300 -0.600 0.000 1.174 389 D CA -0.218 53.612 54.000 -0.283 0.000 0.949 389 D CB 1.864 42.442 40.800 -0.371 0.000 1.430 389 D HN 0.400 nan 8.370 nan 0.000 0.467 390 F N -0.413 119.173 119.950 -0.608 0.000 2.799 390 F HA 0.665 5.192 4.527 -0.000 0.000 0.316 390 F C -2.423 173.311 175.800 -0.111 0.000 1.155 390 F CA -1.154 56.601 58.000 -0.408 0.000 0.916 390 F CB 0.531 39.336 39.000 -0.326 0.000 1.294 390 F HN 0.282 nan 8.300 nan 0.000 0.447 391 L N -0.231 120.843 121.223 -0.248 0.000 2.653 391 L HA 0.652 4.992 4.340 0.000 0.000 0.257 391 L C -1.614 175.185 176.870 -0.119 0.000 0.969 391 L CA -0.777 53.874 54.840 -0.315 0.000 0.869 391 L CB 1.548 43.562 42.059 -0.075 0.000 1.439 391 L HN 0.831 nan 8.230 nan 0.000 0.414 392 H N -0.038 119.092 119.070 0.100 0.000 2.523 392 H HA 0.899 5.456 4.556 0.000 0.000 0.345 392 H C -0.206 175.142 175.328 0.034 0.000 1.261 392 H CA 0.326 56.432 56.048 0.097 0.000 1.343 392 H CB 2.017 31.823 29.762 0.072 0.000 1.650 392 H HN 1.040 nan 8.280 nan 0.000 0.591 393 T N -2.975 111.663 114.554 0.141 0.000 2.607 393 T HA 0.054 4.404 4.350 0.000 0.000 0.210 393 T C 0.489 175.071 174.700 -0.197 0.000 1.027 393 T CA -0.440 61.617 62.100 -0.072 0.000 1.277 393 T CB 0.525 69.407 68.868 0.023 0.000 1.988 393 T HN 0.609 nan 8.240 nan 0.000 0.425 394 H N -0.618 118.501 119.070 0.081 0.000 2.622 394 H HA 0.523 5.079 4.556 0.000 0.000 0.269 394 H C -0.407 174.844 175.328 -0.128 0.000 0.977 394 H CA -0.040 55.984 56.048 -0.039 0.000 1.179 394 H CB 0.278 29.950 29.762 -0.149 0.000 1.458 394 H HN 0.292 nan 8.280 nan 0.000 0.531 395 Y N 0.414 120.765 120.300 0.084 0.000 2.650 395 Y HA 0.322 4.873 4.550 0.001 0.000 0.331 395 Y C 0.073 175.943 175.900 -0.051 0.000 1.082 395 Y CA -1.217 56.781 58.100 -0.169 0.000 1.171 395 Y CB 1.314 39.675 38.460 -0.165 0.000 1.326 395 Y HN -0.068 nan 8.280 nan 0.000 0.513 396 E N 0.825 121.038 120.200 0.021 0.000 2.133 396 E HA 0.456 4.806 4.350 0.000 0.000 0.274 396 E C -1.538 175.139 176.600 0.129 0.000 0.930 396 E CA -0.567 55.911 56.400 0.130 0.000 0.770 396 E CB 1.646 31.419 29.700 0.121 0.000 1.104 396 E HN 0.226 nan 8.360 nan 0.000 0.403 397 V N 3.046 123.051 119.914 0.151 0.000 2.334 397 V HA 0.265 4.385 4.120 0.000 0.000 0.281 397 V C -0.250 175.965 176.094 0.203 0.000 1.016 397 V CA -0.541 61.887 62.300 0.214 0.000 0.832 397 V CB 1.286 33.264 31.823 0.258 0.000 0.999 397 V HN 0.553 nan 8.190 nan 0.000 0.439 398 S N 5.628 121.345 115.700 0.028 0.000 2.472 398 S HA 0.910 5.380 4.470 0.000 0.000 0.303 398 S C -0.700 173.754 174.600 -0.244 0.000 1.099 398 S CA -0.483 57.463 58.200 -0.423 0.000 1.077 398 S CB 1.199 63.724 63.200 -1.125 0.000 1.031 398 S HN 0.641 nan 8.310 nan 0.000 0.487 399 F N 1.180 121.101 119.950 -0.048 0.000 2.641 399 F HA 0.858 5.385 4.527 0.001 0.000 0.308 399 F C -1.526 174.461 175.800 0.310 0.000 1.105 399 F CA -1.505 56.634 58.000 0.232 0.000 0.964 399 F CB 0.911 40.059 39.000 0.246 0.000 1.294 399 F HN 0.409 nan 8.300 nan 0.000 0.442 400 L N 0.387 121.798 121.223 0.313 0.000 2.506 400 L HA 1.057 5.398 4.340 0.000 0.000 0.257 400 L C -0.083 176.790 176.870 0.005 0.000 0.964 400 L CA -0.165 54.750 54.840 0.125 0.000 0.836 400 L CB 1.412 43.490 42.059 0.032 0.000 1.384 400 L HN 1.802 nan 8.230 nan 0.000 0.410 401 G N 1.235 110.040 108.800 0.007 0.000 2.642 401 G HA2 -0.155 3.805 3.960 0.000 0.000 0.231 401 G HA3 -0.155 3.805 3.960 0.000 0.000 0.231 401 G C -0.291 174.654 174.900 0.075 0.000 1.338 401 G CA -0.099 44.996 45.100 -0.009 0.000 0.883 401 G HN 0.935 nan 8.290 nan 0.000 0.570 402 M N 1.404 121.036 119.600 0.052 0.000 2.233 402 M HA 0.477 4.957 4.480 0.000 0.000 0.350 402 M C 1.368 177.790 176.300 0.202 0.000 1.176 402 M CA 0.469 55.819 55.300 0.083 0.000 1.150 402 M CB 0.787 33.385 32.600 -0.003 0.000 1.530 402 M HN 0.960 nan 8.290 nan 0.000 0.459 403 G N 0.780 109.652 108.800 0.121 0.000 2.621 403 G HA2 0.111 4.071 3.960 0.000 0.000 0.271 403 G HA3 0.111 4.071 3.960 0.000 0.000 0.271 403 G C 0.459 175.336 174.900 -0.038 0.000 1.236 403 G CA -0.360 44.715 45.100 -0.042 0.000 0.958 403 G HN 0.932 nan 8.290 nan 0.000 0.512 404 E N -0.318 119.822 120.200 -0.101 0.000 2.012 404 E HA -0.189 4.161 4.350 0.000 0.000 0.197 404 E C 2.231 178.820 176.600 -0.018 0.000 1.007 404 E CA 1.751 58.128 56.400 -0.038 0.000 0.816 404 E CB -0.086 29.594 29.700 -0.034 0.000 0.762 404 E HN 0.539 nan 8.360 nan 0.000 0.451 405 E N 0.903 121.087 120.200 -0.027 0.000 2.065 405 E HA -0.312 4.038 4.350 0.000 0.000 0.201 405 E C 2.049 178.650 176.600 0.001 0.000 1.016 405 E CA 1.637 58.029 56.400 -0.013 0.000 0.818 405 E CB -0.731 28.955 29.700 -0.023 0.000 0.749 405 E HN 0.514 nan 8.360 nan 0.000 0.453 406 E N 1.093 121.292 120.200 -0.002 0.000 2.068 406 E HA -0.270 4.080 4.350 0.000 0.000 0.207 406 E C 2.120 178.741 176.600 0.035 0.000 1.032 406 E CA 1.700 58.108 56.400 0.014 0.000 0.839 406 E CB -0.187 29.521 29.700 0.013 0.000 0.758 406 E HN 0.271 nan 8.360 nan 0.000 0.457 407 A N 1.151 123.988 122.820 0.027 0.000 1.917 407 A HA -0.266 4.054 4.320 0.000 0.000 0.219 407 A C 2.154 179.814 177.584 0.127 0.000 1.182 407 A CA 1.931 53.996 52.037 0.047 0.000 0.633 407 A CB -0.622 18.363 19.000 -0.024 0.000 0.819 407 A HN 0.244 nan 8.150 nan 0.000 0.448 408 R N -0.821 119.723 120.500 0.073 0.000 2.073 408 R HA -0.087 4.253 4.340 0.000 0.000 0.234 408 R C 2.497 178.831 176.300 0.056 0.000 1.134 408 R CA 1.246 57.385 56.100 0.066 0.000 0.952 408 R CB -0.601 29.720 30.300 0.035 0.000 0.850 408 R HN 0.515 nan 8.270 nan 0.000 0.433 409 A N 1.273 124.120 122.820 0.044 0.000 2.024 409 A HA -0.098 4.222 4.320 0.000 0.000 0.220 409 A C 2.044 179.652 177.584 0.041 0.000 1.164 409 A CA 1.694 53.750 52.037 0.032 0.000 0.643 409 A CB -0.351 18.663 19.000 0.023 0.000 0.806 409 A HN 0.401 nan 8.150 nan 0.000 0.451 410 A N -1.968 120.903 122.820 0.085 0.000 2.302 410 A HA 0.444 4.764 4.320 0.000 0.000 0.219 410 A C 1.772 179.370 177.584 0.023 0.000 1.243 410 A CA 1.023 53.121 52.037 0.103 0.000 0.856 410 A CB -1.006 18.122 19.000 0.214 0.000 0.893 410 A HN 1.808 nan 8.150 nan 0.000 0.491 411 G N -0.911 107.890 108.800 0.001 0.000 2.284 411 G HA2 -0.303 3.658 3.960 0.000 0.000 0.247 411 G HA3 -0.303 3.658 3.960 0.000 0.000 0.247 411 G C 0.236 175.073 174.900 -0.104 0.000 1.012 411 G CA 0.490 45.541 45.100 -0.082 0.000 0.618 411 G HN 0.747 nan 8.290 nan 0.000 0.521 412 H N 1.110 120.179 119.070 -0.003 0.000 2.948 412 H HA 0.438 4.994 4.556 -0.000 0.000 0.351 412 H C 0.611 175.938 175.328 -0.003 0.000 1.079 412 H CA 0.917 56.964 56.048 -0.003 0.000 1.407 412 H CB 0.685 30.445 29.762 -0.003 0.000 1.373 412 H HN 0.349 nan 8.280 nan 0.000 0.605 413 E N 4.444 124.709 120.200 0.108 0.000 2.042 413 E HA 0.160 4.510 4.350 0.000 0.000 0.260 413 E C -0.249 176.389 176.600 0.064 0.000 0.975 413 E CA -0.416 56.020 56.400 0.061 0.000 0.799 413 E CB 0.026 29.745 29.700 0.032 0.000 1.131 413 E HN 0.535 nan 8.360 nan 0.000 0.423 414 I N 0.891 121.496 120.570 0.059 0.000 3.156 414 I HA 0.528 4.698 4.170 0.000 0.000 0.306 414 I C -0.090 176.038 176.117 0.018 0.000 1.048 414 I CA -0.897 60.423 61.300 0.033 0.000 1.207 414 I CB 1.176 39.190 38.000 0.022 0.000 1.456 414 I HN 0.119 nan 8.210 nan 0.000 0.616 415 V N -0.513 119.405 119.914 0.007 0.000 3.012 415 V HA 0.707 4.827 4.120 0.000 0.000 0.307 415 V C -0.557 175.535 176.094 -0.004 0.000 1.166 415 V CA -0.378 61.924 62.300 0.004 0.000 0.974 415 V CB 1.376 33.200 31.823 0.002 0.000 1.040 415 V HN 0.996 nan 8.190 nan 0.000 0.428 416 T N 3.294 117.848 114.554 0.000 0.000 2.879 416 T HA 0.702 5.052 4.350 0.000 0.000 0.290 416 T C -1.414 173.286 174.700 -0.001 0.000 0.993 416 T CA -0.292 61.806 62.100 -0.004 0.000 0.975 416 T CB 1.203 70.076 68.868 0.008 0.000 0.981 416 T HN 1.019 nan 8.240 nan 0.000 0.439 417 I N 5.650 126.213 120.570 -0.012 0.000 2.377 417 I HA 0.690 4.860 4.170 0.000 0.000 0.293 417 I C -0.519 175.609 176.117 0.018 0.000 0.987 417 I CA -0.240 61.067 61.300 0.011 0.000 1.185 417 I CB 0.782 38.796 38.000 0.024 0.000 1.341 417 I HN 0.799 nan 8.210 nan 0.000 0.455 418 K N 6.647 127.055 120.400 0.014 0.000 2.548 418 K HA 0.707 5.027 4.320 0.000 0.000 0.282 418 K C -1.793 174.773 176.600 -0.056 0.000 1.006 418 K CA -1.068 55.191 56.287 -0.047 0.000 0.892 418 K CB 1.759 34.169 32.500 -0.150 0.000 1.499 418 K HN 0.332 nan 8.250 nan 0.000 0.433 419 M N 1.466 120.960 119.600 -0.176 0.000 2.446 419 M HA 0.421 4.902 4.480 0.000 0.000 0.294 419 M C -2.733 173.406 176.300 -0.269 0.000 1.158 419 M CA -2.328 52.902 55.300 -0.115 0.000 0.899 419 M CB 1.859 34.477 32.600 0.030 0.000 1.687 419 M HN 0.591 nan 8.290 nan 0.000 0.455 420 P HA 0.306 nan 4.420 nan 0.000 0.274 420 P C -2.747 174.560 177.300 0.012 0.000 1.260 420 P CA -0.802 62.300 63.100 0.002 0.000 0.793 420 P CB -0.508 31.214 31.700 0.036 0.000 1.048 421 P HA 0.218 nan 4.420 nan 0.000 0.279 421 P C -0.761 176.565 177.300 0.042 0.000 1.276 421 P CA -0.212 62.908 63.100 0.033 0.000 0.801 421 P CB 0.287 32.007 31.700 0.032 0.000 1.127 422 D N 0.183 120.607 120.400 0.040 0.000 2.346 422 D HA 0.356 4.996 4.640 0.000 0.000 0.260 422 D C 0.217 176.538 176.300 0.034 0.000 1.252 422 D CA 0.909 54.934 54.000 0.041 0.000 0.895 422 D CB -0.154 40.667 40.800 0.036 0.000 1.097 422 D HN 0.358 nan 8.370 nan 0.000 0.489 423 T N -1.368 113.207 114.554 0.036 0.000 2.853 423 T HA 0.259 4.609 4.350 0.000 0.000 0.311 423 T C 0.733 175.452 174.700 0.031 0.000 1.307 423 T CA -1.027 61.091 62.100 0.031 0.000 1.019 423 T CB 1.259 70.146 68.868 0.031 0.000 1.264 423 T HN 0.331 nan 8.240 nan 0.000 0.497 424 E N 0.845 121.061 120.200 0.026 0.000 2.510 424 E HA -0.106 4.244 4.350 0.000 0.000 0.202 424 E C 0.868 177.484 176.600 0.026 0.000 1.072 424 E CA 1.048 57.462 56.400 0.024 0.000 0.883 424 E CB -0.598 29.114 29.700 0.020 0.000 0.818 424 E HN 0.719 nan 8.360 nan 0.000 0.548 425 N N 0.532 119.251 118.700 0.032 0.000 2.236 425 N HA 0.114 4.854 4.740 0.000 0.000 0.196 425 N C 0.946 176.485 175.510 0.047 0.000 1.114 425 N CA -0.147 52.925 53.050 0.036 0.000 0.859 425 N CB 0.653 39.162 38.487 0.036 0.000 0.982 425 N HN 0.304 nan 8.380 nan 0.000 0.493 426 G N 2.150 110.979 108.800 0.048 0.000 2.652 426 G HA2 -0.367 3.594 3.960 0.000 0.000 0.318 426 G HA3 -0.367 3.594 3.960 0.000 0.000 0.318 426 G C 0.670 175.620 174.900 0.084 0.000 1.295 426 G CA 0.319 45.456 45.100 0.062 0.000 0.999 426 G HN 0.200 nan 8.290 nan 0.000 0.548 427 L N 1.445 122.734 121.223 0.111 0.000 2.395 427 L HA 0.088 4.428 4.340 0.000 0.000 0.218 427 L C 1.212 178.178 176.870 0.160 0.000 1.130 427 L CA 0.389 55.320 54.840 0.153 0.000 0.826 427 L CB -0.379 41.817 42.059 0.230 0.000 0.941 427 L HN 0.362 nan 8.230 nan 0.000 0.451 428 N N 1.887 120.670 118.700 0.139 0.000 3.127 428 N HA 0.087 4.828 4.740 0.000 0.000 0.317 428 N C -0.419 175.140 175.510 0.081 0.000 1.242 428 N CA 0.262 53.395 53.050 0.138 0.000 1.203 428 N CB 0.101 38.654 38.487 0.110 0.000 1.462 428 N HN 0.116 nan 8.380 nan 0.000 0.546 429 V N -3.511 116.441 119.914 0.063 0.000 3.007 429 V HA 0.706 4.826 4.120 0.000 0.000 0.311 429 V C 0.337 176.416 176.094 -0.026 0.000 1.120 429 V CA -1.409 60.900 62.300 0.016 0.000 0.980 429 V CB 1.650 33.487 31.823 0.024 0.000 1.033 429 V HN 0.075 nan 8.190 nan 0.000 0.429 430 A N 3.990 126.744 122.820 -0.111 0.000 2.958 430 A HA 0.698 5.019 4.320 0.000 0.000 0.247 430 A C -0.023 177.497 177.584 -0.107 0.000 1.679 430 A CA 0.129 52.029 52.037 -0.229 0.000 1.345 430 A CB -1.350 17.298 19.000 -0.587 0.000 1.013 430 A HN 0.834 nan 8.150 nan 0.000 0.641 431 L N 0.722 121.935 121.223 -0.017 0.000 2.513 431 L HA 0.436 4.776 4.340 0.000 0.000 0.261 431 L C -2.719 174.181 176.870 0.050 0.000 0.945 431 L CA -1.961 52.901 54.840 0.037 0.000 0.848 431 L CB 3.471 45.551 42.059 0.035 0.000 1.334 431 L HN 0.120 nan 8.230 nan 0.000 0.407 432 P HA 0.491 nan 4.420 nan 0.000 0.282 432 P C -1.414 176.007 177.300 0.201 0.000 1.259 432 P CA -0.395 62.826 63.100 0.202 0.000 0.826 432 P CB 2.379 34.208 31.700 0.215 0.000 1.064 433 A N 1.042 124.019 122.820 0.261 0.000 2.515 433 A HA 0.824 5.145 4.320 0.000 0.000 0.296 433 A C -0.368 177.318 177.584 0.171 0.000 1.094 433 A CA -0.267 51.882 52.037 0.188 0.000 0.718 433 A CB 1.336 20.423 19.000 0.144 0.000 1.307 433 A HN 0.800 nan 8.150 nan 0.000 0.408 434 S N 0.089 115.875 115.700 0.142 0.000 2.636 434 S HA 0.339 4.810 4.470 0.000 0.000 0.266 434 S C -1.688 172.976 174.600 0.108 0.000 1.116 434 S CA -0.768 57.480 58.200 0.082 0.000 0.893 434 S CB -0.039 63.227 63.200 0.111 0.000 1.171 434 S HN 0.693 nan 8.310 nan 0.000 0.482 435 D N 1.488 121.936 120.400 0.080 0.000 2.548 435 D HA 0.161 4.801 4.640 0.000 0.000 0.231 435 D C 0.615 176.991 176.300 0.127 0.000 1.142 435 D CA 0.570 54.615 54.000 0.075 0.000 0.866 435 D CB 0.058 40.889 40.800 0.051 0.000 1.190 435 D HN 0.607 nan 8.370 nan 0.000 0.469 436 R N 0.060 120.600 120.500 0.066 0.000 4.016 436 R HA -0.198 4.142 4.340 0.000 0.000 0.385 436 R C 1.078 177.493 176.300 0.192 0.000 1.158 436 R CA 1.661 57.770 56.100 0.015 0.000 1.117 436 R CB -2.867 27.315 30.300 -0.197 0.000 1.635 436 R HN 0.707 nan 8.270 nan 0.000 0.560 437 T N -4.739 109.992 114.554 0.294 0.000 3.058 437 T HA 0.263 4.614 4.350 0.000 0.000 0.278 437 T C 1.558 176.458 174.700 0.332 0.000 0.974 437 T CA -0.390 61.990 62.100 0.467 0.000 0.893 437 T CB 0.170 69.325 68.868 0.479 0.000 1.138 437 T HN -0.169 nan 8.240 nan 0.000 0.529 438 M N 1.613 121.341 119.600 0.212 0.000 2.067 438 M HA 0.169 4.649 4.480 0.000 0.000 0.260 438 M C 2.131 178.585 176.300 0.257 0.000 1.069 438 M CA 1.288 56.730 55.300 0.236 0.000 1.117 438 M CB -1.543 31.132 32.600 0.125 0.000 1.334 438 M HN 0.304 nan 8.290 nan 0.000 0.407 439 L N -1.300 119.962 121.223 0.065 0.000 1.990 439 L HA -0.289 4.051 4.340 0.000 0.000 0.213 439 L C 2.534 179.536 176.870 0.219 0.000 1.072 439 L CA 1.765 56.575 54.840 -0.051 0.000 0.755 439 L CB -0.984 40.864 42.059 -0.351 0.000 0.889 439 L HN 0.237 nan 8.230 nan 0.000 0.432 440 Y N -0.584 119.943 120.300 0.378 0.000 2.193 440 Y HA -0.333 4.217 4.550 0.001 0.000 0.285 440 Y C 2.607 178.624 175.900 0.195 0.000 1.166 440 Y CA 0.745 59.039 58.100 0.322 0.000 1.181 440 Y CB -0.485 38.114 38.460 0.231 0.000 0.976 440 Y HN 0.232 nan 8.280 nan 0.000 0.520 441 A N -0.375 122.631 122.820 0.311 0.000 1.898 441 A HA -0.131 4.189 4.320 0.000 0.000 0.216 441 A C 1.649 179.152 177.584 -0.134 0.000 1.181 441 A CA 1.464 53.535 52.037 0.056 0.000 0.620 441 A CB -0.900 18.098 19.000 -0.005 0.000 0.819 441 A HN 0.461 nan 8.150 nan 0.000 0.442 442 F N 0.062 120.092 119.950 0.132 0.000 2.746 442 F HA 0.276 4.804 4.527 0.001 0.000 0.297 442 F C 1.766 177.653 175.800 0.145 0.000 1.113 442 F CA -0.237 57.825 58.000 0.105 0.000 1.367 442 F CB -0.303 38.724 39.000 0.045 0.000 1.111 442 F HN 0.216 nan 8.300 nan 0.000 0.590 443 G N 0.538 109.552 108.800 0.357 0.000 2.664 443 G HA2 0.093 4.053 3.960 0.000 0.000 0.242 443 G HA3 0.093 4.053 3.960 0.000 0.000 0.242 443 G C -0.449 174.640 174.900 0.315 0.000 1.225 443 G CA -0.515 44.850 45.100 0.441 0.000 0.849 443 G HN 0.030 nan 8.290 nan 0.000 0.581 444 K N 0.380 120.954 120.400 0.291 0.000 2.338 444 K HA 0.427 4.747 4.320 0.000 0.000 0.290 444 K C 1.076 177.778 176.600 0.169 0.000 1.069 444 K CA 0.753 57.155 56.287 0.191 0.000 0.941 444 K CB 0.073 32.664 32.500 0.153 0.000 1.023 444 K HN 1.291 nan 8.250 nan 0.000 0.477 445 G N 3.306 112.201 108.800 0.159 0.000 2.198 445 G HA2 -0.294 3.666 3.960 0.000 0.000 0.260 445 G HA3 -0.294 3.666 3.960 0.000 0.000 0.260 445 G C 0.484 175.533 174.900 0.248 0.000 1.025 445 G CA 0.849 46.061 45.100 0.185 0.000 0.769 445 G HN 0.804 nan 8.290 nan 0.000 0.507 446 T N -4.186 110.456 114.554 0.147 0.000 3.003 446 T HA 0.601 4.951 4.350 0.000 0.000 0.261 446 T C 2.335 176.925 174.700 -0.183 0.000 1.003 446 T CA 1.229 63.289 62.100 -0.066 0.000 0.917 446 T CB 0.391 69.328 68.868 0.115 0.000 1.084 446 T HN 1.304 nan 8.240 nan 0.000 0.522 447 A N 3.110 125.942 122.820 0.021 0.000 1.958 447 A HA -0.256 4.064 4.320 0.000 0.000 0.221 447 A C 1.988 179.578 177.584 0.011 0.000 1.178 447 A CA 2.259 54.316 52.037 0.034 0.000 0.642 447 A CB -1.384 17.645 19.000 0.048 0.000 0.816 447 A HN 0.970 nan 8.150 nan 0.000 0.453 448 H N -2.623 116.512 119.070 0.108 0.000 2.560 448 H HA 0.143 4.699 4.556 0.000 0.000 0.283 448 H C 1.456 176.891 175.328 0.179 0.000 1.028 448 H CA 1.299 57.425 56.048 0.129 0.000 1.221 448 H CB -0.486 29.331 29.762 0.092 0.000 1.363 448 H HN 0.490 nan 8.280 nan 0.000 0.594 449 M N 0.687 120.122 119.600 -0.275 0.000 2.441 449 M HA 0.048 4.528 4.480 0.000 0.000 0.244 449 M C 1.830 178.178 176.300 0.080 0.000 1.122 449 M CA 0.464 55.688 55.300 -0.127 0.000 1.041 449 M CB 0.362 32.709 32.600 -0.422 0.000 1.438 449 M HN 0.483 nan 8.290 nan 0.000 0.484 450 S N 0.263 116.040 115.700 0.129 0.000 2.461 450 S HA 0.050 4.520 4.470 0.000 0.000 0.246 450 S C 1.133 175.819 174.600 0.143 0.000 1.007 450 S CA 0.658 58.971 58.200 0.188 0.000 0.976 450 S CB -0.792 62.477 63.200 0.114 0.000 0.763 450 S HN 0.649 nan 8.310 nan 0.000 0.508 451 G N 0.129 108.957 108.800 0.047 0.000 2.479 451 G HA2 0.232 4.192 3.960 0.000 0.000 0.686 451 G HA3 0.232 4.192 3.960 0.000 0.000 0.686 451 G C -1.154 173.516 174.900 -0.383 0.000 1.295 451 G CA -0.544 44.466 45.100 -0.150 0.000 0.922 451 G HN 0.784 nan 8.290 nan 0.000 0.582 452 F N 1.026 120.523 119.950 -0.755 0.000 2.601 452 F HA 0.822 5.348 4.527 -0.001 0.000 0.309 452 F C -0.366 175.183 175.800 -0.418 0.000 1.089 452 F CA -0.064 57.497 58.000 -0.731 0.000 0.940 452 F CB 2.061 40.294 39.000 -1.279 0.000 1.273 452 F HN 1.043 nan 8.300 nan 0.000 0.450 453 Q N 4.687 123.887 119.800 -1.002 0.000 2.522 453 Q HA 0.491 4.831 4.340 0.000 0.000 0.285 453 Q C -2.267 173.468 176.000 -0.442 0.000 0.982 453 Q CA -1.189 54.347 55.803 -0.445 0.000 0.805 453 Q CB 3.036 31.683 28.738 -0.152 0.000 1.457 453 Q HN 0.798 nan 8.270 nan 0.000 0.394 454 K N 1.442 121.885 120.400 0.070 0.000 2.579 454 K HA 0.637 4.957 4.320 0.000 0.000 0.284 454 K C -1.981 174.637 176.600 0.031 0.000 0.990 454 K CA -0.749 55.569 56.287 0.052 0.000 0.880 454 K CB 2.392 34.909 32.500 0.030 0.000 1.488 454 K HN 0.777 nan 8.250 nan 0.000 0.425 455 I N 2.728 123.226 120.570 -0.119 0.000 2.607 455 I HA 0.274 4.444 4.170 0.000 0.000 0.290 455 I C -1.125 174.922 176.117 -0.117 0.000 1.129 455 I CA -1.036 60.083 61.300 -0.303 0.000 1.042 455 I CB 2.265 39.876 38.000 -0.649 0.000 1.242 455 I HN 0.321 nan 8.210 nan 0.000 0.421 456 V N 7.632 127.503 119.914 -0.071 0.000 2.394 456 V HA 0.500 4.620 4.120 0.000 0.000 0.282 456 V C 0.024 176.067 176.094 -0.085 0.000 1.031 456 V CA -0.284 61.992 62.300 -0.040 0.000 0.881 456 V CB 1.459 33.289 31.823 0.011 0.000 0.982 456 V HN 0.414 nan 8.190 nan 0.000 0.451 457 I N 3.097 123.627 120.570 -0.066 0.000 2.689 457 I HA 0.422 4.592 4.170 0.000 0.000 0.299 457 I C -0.603 175.493 176.117 -0.036 0.000 1.059 457 I CA -0.676 60.586 61.300 -0.063 0.000 1.055 457 I CB 2.328 40.296 38.000 -0.053 0.000 1.243 457 I HN 0.463 nan 8.210 nan 0.000 0.425 458 D N 4.661 125.044 120.400 -0.027 0.000 2.339 458 D HA 0.360 5.000 4.640 0.000 0.000 0.241 458 D C -0.134 176.182 176.300 0.026 0.000 1.183 458 D CA -0.090 53.924 54.000 0.022 0.000 0.859 458 D CB 1.559 42.395 40.800 0.059 0.000 1.067 458 D HN 0.621 nan 8.370 nan 0.000 0.484 459 A N 3.959 126.797 122.820 0.030 0.000 2.511 459 A HA 0.254 4.574 4.320 0.000 0.000 0.242 459 A C 0.159 177.757 177.584 0.025 0.000 1.069 459 A CA -0.057 51.992 52.037 0.021 0.000 0.763 459 A CB 0.044 19.056 19.000 0.019 0.000 1.001 459 A HN 0.641 nan 8.150 nan 0.000 0.498 460 K N 1.141 121.551 120.400 0.017 0.000 6.691 460 K HA -0.095 4.225 4.320 0.000 0.000 0.741 460 K C 0.406 177.020 176.600 0.023 0.000 2.096 460 K CA 1.354 57.651 56.287 0.016 0.000 1.671 460 K CB -1.689 30.819 32.500 0.013 0.000 1.891 460 K HN 1.358 nan 8.250 nan 0.000 0.314 461 T N 0.527 115.091 114.554 0.017 0.000 5.401 461 T HA -0.176 4.174 4.350 0.000 0.000 0.268 461 T C 0.381 175.088 174.700 0.012 0.000 2.216 461 T CA 0.593 62.705 62.100 0.020 0.000 3.796 461 T CB -0.642 68.249 68.868 0.039 0.000 0.342 461 T HN 0.675 nan 8.240 nan 0.000 0.838 462 R N 1.265 121.770 120.500 0.008 0.000 3.615 462 R HA -0.207 4.133 4.340 0.000 0.000 0.248 462 R C -0.036 176.255 176.300 -0.015 0.000 1.073 462 R CA 1.244 57.342 56.100 -0.004 0.000 0.710 462 R CB -1.230 29.067 30.300 -0.005 0.000 1.074 462 R HN 0.476 nan 8.270 nan 0.000 0.494 463 K N 0.720 121.112 120.400 -0.014 0.000 2.185 463 K HA 0.264 4.585 4.320 0.000 0.000 0.271 463 K C 0.221 176.784 176.600 -0.063 0.000 1.013 463 K CA -0.499 55.768 56.287 -0.033 0.000 0.943 463 K CB 1.396 33.882 32.500 -0.023 0.000 0.998 463 K HN -0.170 nan 8.250 nan 0.000 0.468 464 V N 4.724 124.590 119.914 -0.082 0.000 2.439 464 V HA -0.037 4.084 4.120 0.000 0.000 0.271 464 V C 0.932 176.948 176.094 -0.129 0.000 1.040 464 V CA -0.000 62.229 62.300 -0.118 0.000 1.002 464 V CB 0.767 32.502 31.823 -0.146 0.000 1.000 464 V HN 0.616 nan 8.190 nan 0.000 0.477 465 L N 4.264 125.402 121.223 -0.142 0.000 2.354 465 L HA 0.485 4.825 4.340 0.000 0.000 0.212 465 L C 1.080 177.879 176.870 -0.118 0.000 1.091 465 L CA 0.824 55.570 54.840 -0.157 0.000 0.828 465 L CB -0.605 41.319 42.059 -0.225 0.000 0.973 465 L HN 0.815 nan 8.230 nan 0.000 0.461 466 G N -1.302 107.428 108.800 -0.117 0.000 2.655 466 G HA2 0.630 4.590 3.960 0.000 0.000 0.296 466 G HA3 0.630 4.590 3.960 0.000 0.000 0.296 466 G C -1.857 172.891 174.900 -0.252 0.000 1.485 466 G CA 0.046 45.074 45.100 -0.121 0.000 0.869 466 G HN 0.131 nan 8.290 nan 0.000 0.540 467 A N 1.981 124.535 122.820 -0.442 0.000 2.343 467 A HA 0.887 5.207 4.320 0.000 0.000 0.316 467 A C -0.828 176.593 177.584 -0.272 0.000 1.104 467 A CA -0.733 51.062 52.037 -0.403 0.000 0.768 467 A CB 1.070 19.750 19.000 -0.534 0.000 1.213 467 A HN 0.764 nan 8.150 nan 0.000 0.456 468 H N 2.412 121.755 119.070 0.454 0.000 2.689 468 H HA 0.468 5.024 4.556 0.001 0.000 0.346 468 H C -1.431 174.218 175.328 0.535 0.000 1.037 468 H CA -0.363 55.990 56.048 0.509 0.000 1.234 468 H CB 1.947 31.907 29.762 0.330 0.000 1.572 468 H HN 0.837 nan 8.280 nan 0.000 0.524 469 H N 2.149 121.434 119.070 0.358 0.000 2.954 469 H HA 0.381 4.937 4.556 0.000 0.000 0.361 469 H C -1.876 173.496 175.328 0.073 0.000 1.122 469 H CA -0.529 55.623 56.048 0.173 0.000 1.217 469 H CB 1.809 31.641 29.762 0.116 0.000 1.776 469 H HN 0.368 nan 8.280 nan 0.000 0.533 470 V N 4.729 124.450 119.914 -0.321 0.000 2.540 470 V HA 0.706 4.826 4.120 0.000 0.000 0.302 470 V C 0.635 176.428 176.094 -0.502 0.000 1.035 470 V CA 0.407 62.591 62.300 -0.192 0.000 0.873 470 V CB 1.079 32.874 31.823 -0.047 0.000 0.992 470 V HN 1.108 nan 8.190 nan 0.000 0.428 471 G N 3.864 112.553 108.800 -0.186 0.000 2.451 471 G HA2 0.186 4.146 3.960 0.000 0.000 0.083 471 G HA3 0.186 4.146 3.960 0.000 0.000 0.083 471 G C -1.729 173.036 174.900 -0.225 0.000 1.107 471 G CA -0.261 44.782 45.100 -0.095 0.000 1.117 471 G HN 0.507 nan 8.290 nan 0.000 0.454 472 Y N -0.743 119.800 120.300 0.406 0.000 2.609 472 Y HA 0.509 5.060 4.550 0.001 0.000 0.336 472 Y C 0.866 176.849 175.900 0.138 0.000 1.129 472 Y CA 0.212 58.462 58.100 0.251 0.000 1.040 472 Y CB 2.049 40.632 38.460 0.205 0.000 1.310 472 Y HN 2.033 nan 8.280 nan 0.000 0.460 473 G N 0.106 109.037 108.800 0.218 0.000 2.249 473 G HA2 -0.099 3.861 3.960 0.000 0.000 0.273 473 G HA3 -0.099 3.861 3.960 0.000 0.000 0.273 473 G C 0.368 175.234 174.900 -0.056 0.000 1.036 473 G CA 0.800 45.945 45.100 0.075 0.000 0.824 473 G HN 1.315 nan 8.290 nan 0.000 0.504 474 A N -1.034 121.666 122.820 -0.200 0.000 2.141 474 A HA 0.498 4.818 4.320 0.000 0.000 0.201 474 A C 1.886 179.337 177.584 -0.222 0.000 1.344 474 A CA 1.512 53.333 52.037 -0.361 0.000 0.971 474 A CB -0.049 18.255 19.000 -1.159 0.000 1.035 474 A HN 0.394 nan 8.150 nan 0.000 0.480 475 K N 0.716 120.954 120.400 -0.270 0.000 1.988 475 K HA -0.304 4.016 4.320 0.000 0.000 0.221 475 K C 1.480 177.981 176.600 -0.164 0.000 1.053 475 K CA 2.399 58.502 56.287 -0.306 0.000 0.959 475 K CB -0.457 31.799 32.500 -0.406 0.000 0.728 475 K HN 0.338 nan 8.250 nan 0.000 0.447 476 D N -0.676 119.647 120.400 -0.128 0.000 2.271 476 D HA -0.144 4.496 4.640 0.000 0.000 0.207 476 D C 1.501 177.809 176.300 0.013 0.000 0.983 476 D CA 1.223 55.178 54.000 -0.074 0.000 0.878 476 D CB 0.049 40.854 40.800 0.008 0.000 0.920 476 D HN 0.433 nan 8.370 nan 0.000 0.479 477 A N -0.793 122.088 122.820 0.102 0.000 1.970 477 A HA -0.038 4.283 4.320 0.000 0.000 0.216 477 A C 1.729 179.424 177.584 0.186 0.000 1.170 477 A CA 0.469 52.627 52.037 0.202 0.000 0.645 477 A CB -0.699 18.406 19.000 0.175 0.000 0.816 477 A HN 0.233 nan 8.150 nan 0.000 0.447 478 F N 0.992 120.880 119.950 -0.102 0.000 2.216 478 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 478 F C 2.612 178.309 175.800 -0.172 0.000 1.085 478 F CA 1.401 59.339 58.000 -0.103 0.000 1.326 478 F CB -0.646 38.288 39.000 -0.109 0.000 1.027 478 F HN 0.376 nan 8.300 nan 0.000 0.497 479 Q N -1.094 118.608 119.800 -0.164 0.000 2.061 479 Q HA -0.245 4.096 4.340 0.000 0.000 0.204 479 Q C 1.989 177.750 176.000 -0.399 0.000 0.984 479 Q CA 2.323 57.882 55.803 -0.406 0.000 0.846 479 Q CB -0.664 27.609 28.738 -0.776 0.000 0.902 479 Q HN 0.500 nan 8.270 nan 0.000 0.421 480 Y N -0.124 120.162 120.300 -0.023 0.000 2.314 480 Y HA -0.075 4.476 4.550 0.000 0.000 0.294 480 Y C 2.133 177.998 175.900 -0.059 0.000 1.119 480 Y CA -0.011 58.069 58.100 -0.034 0.000 1.179 480 Y CB -0.075 38.373 38.460 -0.020 0.000 1.025 480 Y HN 0.081 nan 8.280 nan 0.000 0.541 481 L N 1.132 122.375 121.223 0.032 0.000 2.083 481 L HA -0.209 4.131 4.340 0.000 0.000 0.209 481 L C 1.851 178.640 176.870 -0.136 0.000 1.083 481 L CA 1.839 56.628 54.840 -0.085 0.000 0.752 481 L CB -1.039 40.873 42.059 -0.244 0.000 0.899 481 L HN 0.185 nan 8.230 nan 0.000 0.433 482 N N -0.793 117.816 118.700 -0.151 0.000 2.084 482 N HA -0.185 4.555 4.740 0.000 0.000 0.190 482 N C 1.807 177.274 175.510 -0.073 0.000 1.030 482 N CA 1.886 54.859 53.050 -0.128 0.000 0.849 482 N CB -0.374 38.052 38.487 -0.102 0.000 1.012 482 N HN 0.227 nan 8.380 nan 0.000 0.423 483 V N 0.922 120.812 119.914 -0.040 0.000 2.252 483 V HA -0.261 3.859 4.120 0.000 0.000 0.249 483 V C 2.375 178.465 176.094 -0.007 0.000 1.056 483 V CA 1.709 64.005 62.300 -0.007 0.000 1.022 483 V CB -0.638 31.206 31.823 0.034 0.000 0.641 483 V HN 0.356 nan 8.190 nan 0.000 0.445 484 L N -0.881 120.340 121.223 -0.004 0.000 2.012 484 L HA -0.223 4.117 4.340 0.000 0.000 0.210 484 L C 2.343 179.194 176.870 -0.033 0.000 1.073 484 L CA 1.769 56.602 54.840 -0.011 0.000 0.748 484 L CB -0.540 41.515 42.059 -0.008 0.000 0.891 484 L HN 0.274 nan 8.230 nan 0.000 0.431 485 I N -0.244 120.289 120.570 -0.061 0.000 2.248 485 I HA -0.338 3.832 4.170 0.000 0.000 0.248 485 I C 2.408 178.492 176.117 -0.055 0.000 1.107 485 I CA 1.481 62.734 61.300 -0.078 0.000 1.373 485 I CB -0.296 37.630 38.000 -0.123 0.000 1.055 485 I HN 0.242 nan 8.210 nan 0.000 0.418 486 K N 0.285 120.659 120.400 -0.042 0.000 2.362 486 K HA -0.153 4.167 4.320 0.000 0.000 0.200 486 K C 1.904 178.497 176.600 -0.012 0.000 1.046 486 K CA 0.874 57.146 56.287 -0.024 0.000 0.952 486 K CB -0.002 32.490 32.500 -0.012 0.000 0.753 486 K HN 0.483 nan 8.250 nan 0.000 0.466 487 Q N -0.588 119.205 119.800 -0.012 0.000 2.398 487 Q HA 0.062 4.402 4.340 0.000 0.000 0.204 487 Q C 0.170 176.165 176.000 -0.007 0.000 0.932 487 Q CA 0.444 56.245 55.803 -0.004 0.000 0.916 487 Q CB 0.876 29.613 28.738 -0.001 0.000 1.024 487 Q HN 0.351 nan 8.270 nan 0.000 0.504 488 G N 1.876 110.666 108.800 -0.016 0.000 2.859 488 G HA2 -0.117 3.844 3.960 0.000 0.000 0.251 488 G HA3 -0.117 3.844 3.960 0.000 0.000 0.251 488 G C -1.256 173.631 174.900 -0.021 0.000 0.978 488 G CA -0.720 44.370 45.100 -0.017 0.000 1.270 488 G HN 0.105 nan 8.290 nan 0.000 0.601 489 L N 3.023 124.226 121.223 -0.034 0.000 2.265 489 L HA 0.837 5.177 4.340 0.000 0.000 0.288 489 L C 0.969 177.817 176.870 -0.037 0.000 1.058 489 L CA 0.230 55.048 54.840 -0.035 0.000 0.809 489 L CB 1.203 43.233 42.059 -0.049 0.000 1.179 489 L HN 0.711 nan 8.230 nan 0.000 0.429 490 T N 1.272 115.810 114.554 -0.026 0.000 2.928 490 T HA 0.236 4.586 4.350 0.000 0.000 0.284 490 T C 1.160 175.845 174.700 -0.025 0.000 1.008 490 T CA -0.137 61.949 62.100 -0.023 0.000 1.057 490 T CB 1.516 70.376 68.868 -0.013 0.000 1.018 490 T HN 0.468 nan 8.240 nan 0.000 0.493 491 V N 1.273 121.171 119.914 -0.026 0.000 2.453 491 V HA -0.190 3.930 4.120 0.000 0.000 0.252 491 V C 1.942 178.031 176.094 -0.009 0.000 1.068 491 V CA 2.334 64.620 62.300 -0.023 0.000 1.070 491 V CB -0.872 30.938 31.823 -0.021 0.000 0.664 491 V HN 0.942 nan 8.190 nan 0.000 0.461 492 D N -0.164 120.232 120.400 -0.007 0.000 2.078 492 D HA -0.206 4.434 4.640 0.000 0.000 0.193 492 D C 2.017 178.316 176.300 -0.001 0.000 0.990 492 D CA 1.972 55.971 54.000 -0.003 0.000 0.827 492 D CB -0.268 40.530 40.800 -0.003 0.000 0.975 492 D HN 0.652 nan 8.370 nan 0.000 0.451 493 E N 0.412 120.610 120.200 -0.004 0.000 2.209 493 E HA -0.179 4.171 4.350 0.000 0.000 0.196 493 E C 2.114 178.715 176.600 0.002 0.000 0.993 493 E CA 0.328 56.727 56.400 -0.002 0.000 0.819 493 E CB -0.051 29.646 29.700 -0.006 0.000 0.745 493 E HN 0.115 nan 8.360 nan 0.000 0.477 494 L N 0.468 121.692 121.223 0.001 0.000 2.044 494 L HA 0.032 4.372 4.340 0.000 0.000 0.205 494 L C 2.181 179.068 176.870 0.028 0.000 1.075 494 L CA 2.005 56.853 54.840 0.013 0.000 0.747 494 L CB -0.720 41.343 42.059 0.006 0.000 0.903 494 L HN 0.067 nan 8.230 nan 0.000 0.435 495 G N -1.508 107.305 108.800 0.022 0.000 2.708 495 G HA2 -0.166 3.794 3.960 0.000 0.000 0.210 495 G HA3 -0.166 3.794 3.960 0.000 0.000 0.210 495 G C 1.038 175.948 174.900 0.016 0.000 1.141 495 G CA 0.590 45.705 45.100 0.024 0.000 0.788 495 G HN 0.428 nan 8.290 nan 0.000 0.531 496 D N -0.081 120.326 120.400 0.013 0.000 2.360 496 D HA 0.147 4.788 4.640 0.000 0.000 0.210 496 D C 1.404 177.710 176.300 0.010 0.000 1.047 496 D CA 0.017 54.022 54.000 0.008 0.000 0.854 496 D CB 0.338 41.141 40.800 0.004 0.000 0.936 496 D HN 0.312 nan 8.370 nan 0.000 0.514 497 M N 0.560 120.171 119.600 0.017 0.000 2.114 497 M HA 0.095 4.575 4.480 0.000 0.000 0.293 497 M C 0.063 176.375 176.300 0.020 0.000 1.201 497 M CA 0.194 55.504 55.300 0.018 0.000 1.107 497 M CB 0.700 33.316 32.600 0.026 0.000 1.405 497 M HN -0.279 nan 8.290 nan 0.000 0.486 498 D N 2.343 122.754 120.400 0.019 0.000 2.412 498 D HA 0.118 4.758 4.640 0.000 0.000 0.224 498 D C -0.213 176.109 176.300 0.037 0.000 1.093 498 D CA -0.176 53.837 54.000 0.022 0.000 0.850 498 D CB 0.683 41.491 40.800 0.014 0.000 1.046 498 D HN 0.435 nan 8.370 nan 0.000 0.507 499 E N 2.375 122.606 120.200 0.052 0.000 2.374 499 E HA 0.164 4.514 4.350 0.000 0.000 0.260 499 E C -0.515 176.147 176.600 0.103 0.000 1.101 499 E CA -0.455 55.997 56.400 0.087 0.000 0.907 499 E CB 1.492 31.262 29.700 0.116 0.000 1.014 499 E HN 0.370 nan 8.360 nan 0.000 0.427 500 L N 2.775 124.075 121.223 0.128 0.000 2.435 500 L HA 0.288 4.629 4.340 0.000 0.000 0.253 500 L C -0.279 176.706 176.870 0.192 0.000 1.087 500 L CA -0.843 54.072 54.840 0.126 0.000 0.950 500 L CB -0.060 42.043 42.059 0.074 0.000 1.304 500 L HN 0.413 nan 8.230 nan 0.000 0.453 501 F N 2.903 122.875 119.950 0.037 0.000 2.572 501 F HA 0.171 4.698 4.527 0.000 0.000 0.370 501 F C 0.445 176.271 175.800 0.043 0.000 1.103 501 F CA -0.191 57.834 58.000 0.043 0.000 1.286 501 F CB 0.585 39.597 39.000 0.020 0.000 1.105 501 F HN 0.159 nan 8.300 nan 0.000 0.583 502 L N 5.704 126.722 121.223 -0.342 0.000 2.319 502 L HA 0.246 4.586 4.340 0.000 0.000 0.280 502 L C -0.537 176.240 176.870 -0.156 0.000 1.099 502 L CA -0.873 53.500 54.840 -0.778 0.000 0.828 502 L CB 0.381 42.021 42.059 -0.698 0.000 1.150 502 L HN 0.573 nan 8.230 nan 0.000 0.442 503 N N 2.841 121.588 118.700 0.079 0.000 2.421 503 N HA 0.381 5.121 4.740 0.000 0.000 0.285 503 N C -2.358 173.192 175.510 0.066 0.000 1.027 503 N CA -2.360 50.767 53.050 0.128 0.000 0.918 503 N CB 1.085 39.678 38.487 0.176 0.000 1.152 503 N HN 0.119 nan 8.380 nan 0.000 0.485 504 P HA -0.174 nan 4.420 nan 0.000 0.218 504 P C -0.081 177.080 177.300 -0.232 0.000 1.154 504 P CA 1.926 65.013 63.100 -0.023 0.000 0.872 504 P CB -0.034 31.648 31.700 -0.030 0.000 0.790 505 T N -2.949 111.406 114.554 -0.333 0.000 2.749 505 T HA 0.245 4.595 4.350 0.000 0.000 0.287 505 T C 0.326 174.726 174.700 -0.499 0.000 0.970 505 T CA -0.591 61.086 62.100 -0.704 0.000 0.980 505 T CB 0.405 68.766 68.868 -0.845 0.000 0.924 505 T HN 0.138 nan 8.240 nan 0.000 0.456 506 H N 2.794 121.667 119.070 -0.330 0.000 2.519 506 H HA 0.224 4.780 4.556 -0.000 0.000 0.289 506 H C 0.650 176.022 175.328 0.074 0.000 1.040 506 H CA -1.026 55.008 56.048 -0.023 0.000 1.165 506 H CB -0.347 29.466 29.762 0.084 0.000 1.462 506 H HN 0.572 nan 8.280 nan 0.000 0.555 507 F N 0.986 121.019 119.950 0.139 0.000 2.095 507 F HA -0.176 4.352 4.527 0.001 0.000 0.298 507 F C 2.370 178.205 175.800 0.058 0.000 1.104 507 F CA 0.439 58.483 58.000 0.073 0.000 1.232 507 F CB -1.111 37.903 39.000 0.023 0.000 0.987 507 F HN 0.136 nan 8.300 nan 0.000 0.475 508 I N 0.499 121.215 120.570 0.244 0.000 2.068 508 I HA -0.386 3.784 4.170 0.000 0.000 0.238 508 I C 2.824 179.000 176.117 0.099 0.000 1.046 508 I CA 2.143 63.527 61.300 0.140 0.000 1.306 508 I CB -0.964 37.100 38.000 0.106 0.000 1.023 508 I HN 0.254 nan 8.210 nan 0.000 0.399 509 Q N 1.588 121.439 119.800 0.085 0.000 2.096 509 Q HA -0.205 4.136 4.340 0.000 0.000 0.204 509 Q C 2.190 178.212 176.000 0.036 0.000 0.982 509 Q CA 1.822 57.639 55.803 0.024 0.000 0.850 509 Q CB -0.979 27.728 28.738 -0.051 0.000 0.901 509 Q HN 0.557 nan 8.270 nan 0.000 0.422 510 L N 1.255 122.530 121.223 0.087 0.000 2.131 510 L HA -0.124 4.216 4.340 0.000 0.000 0.210 510 L C 2.581 179.491 176.870 0.066 0.000 1.092 510 L CA 1.174 56.066 54.840 0.086 0.000 0.759 510 L CB -0.325 41.822 42.059 0.146 0.000 0.903 510 L HN 0.188 nan 8.230 nan 0.000 0.435 511 S N -0.515 115.229 115.700 0.073 0.000 2.357 511 S HA -0.157 4.313 4.470 0.000 0.000 0.221 511 S C 2.000 176.614 174.600 0.024 0.000 1.031 511 S CA 0.985 59.209 58.200 0.041 0.000 0.982 511 S CB -0.184 63.041 63.200 0.042 0.000 0.853 511 S HN 0.332 nan 8.310 nan 0.000 0.458 512 R N 0.795 121.309 120.500 0.024 0.000 2.096 512 R HA -0.130 4.211 4.340 0.000 0.000 0.240 512 R C 2.217 178.519 176.300 0.004 0.000 1.139 512 R CA 1.429 57.535 56.100 0.010 0.000 0.952 512 R CB -0.540 29.762 30.300 0.004 0.000 0.854 512 R HN 0.293 nan 8.270 nan 0.000 0.436 513 L N 0.581 121.807 121.223 0.005 0.000 2.027 513 L HA -0.071 4.269 4.340 0.000 0.000 0.206 513 L C 2.354 179.227 176.870 0.005 0.000 1.074 513 L CA 1.782 56.623 54.840 0.001 0.000 0.745 513 L CB -0.530 41.528 42.059 -0.001 0.000 0.898 513 L HN 0.082 nan 8.230 nan 0.000 0.433 514 R N -0.299 120.208 120.500 0.011 0.000 2.075 514 R HA 0.042 4.382 4.340 0.000 0.000 0.232 514 R C 2.216 178.519 176.300 0.005 0.000 1.126 514 R CA 1.365 57.470 56.100 0.009 0.000 0.963 514 R CB -1.008 29.299 30.300 0.012 0.000 0.858 514 R HN 0.458 nan 8.270 nan 0.000 0.435 515 A N -0.447 122.376 122.820 0.004 0.000 2.024 515 A HA -0.086 4.234 4.320 0.000 0.000 0.220 515 A C 2.271 179.855 177.584 0.001 0.000 1.164 515 A CA 1.779 53.817 52.037 0.002 0.000 0.643 515 A CB -1.190 17.811 19.000 0.001 0.000 0.806 515 A HN 0.470 nan 8.150 nan 0.000 0.451 516 G N -0.403 108.398 108.800 0.001 0.000 2.422 516 G HA2 0.006 3.966 3.960 0.000 0.000 0.218 516 G HA3 0.006 3.966 3.960 0.000 0.000 0.218 516 G C 1.012 175.912 174.900 0.000 0.000 1.146 516 G CA 0.836 45.935 45.100 -0.000 0.000 0.769 516 G HN 0.479 nan 8.290 nan 0.000 0.547 517 S N 0.496 116.197 115.700 0.001 0.000 2.566 517 S HA 0.138 4.608 4.470 0.000 0.000 0.280 517 S C 1.407 176.008 174.600 0.002 0.000 1.343 517 S CA -0.432 57.769 58.200 0.002 0.000 1.036 517 S CB 1.182 64.384 63.200 0.003 0.000 0.866 517 S HN 0.209 nan 8.310 nan 0.000 0.526 518 K N 1.565 121.966 120.400 0.002 0.000 2.025 518 K HA 0.031 4.351 4.320 0.000 0.000 0.207 518 K C 0.097 176.699 176.600 0.003 0.000 1.049 518 K CA 1.142 57.430 56.287 0.002 0.000 0.933 518 K CB -0.309 32.192 32.500 0.002 0.000 0.714 518 K HN 0.494 nan 8.250 nan 0.000 0.438 519 N N 1.240 119.942 118.700 0.003 0.000 2.392 519 N HA 0.157 4.897 4.740 0.000 0.000 0.283 519 N C 1.092 176.604 175.510 0.004 0.000 1.003 519 N CA -0.138 52.914 53.050 0.004 0.000 0.892 519 N CB 1.918 40.408 38.487 0.004 0.000 1.193 519 N HN -0.079 nan 8.380 nan 0.000 0.487 520 L N 0.952 122.178 121.223 0.004 0.000 2.129 520 L HA -0.096 4.244 4.340 0.000 0.000 0.212 520 L C 0.584 177.457 176.870 0.005 0.000 1.087 520 L CA 0.881 55.724 54.840 0.004 0.000 0.757 520 L CB -0.245 41.815 42.059 0.002 0.000 0.896 520 L HN 0.313 nan 8.230 nan 0.000 0.434 521 V N -0.116 119.802 119.914 0.006 0.000 2.790 521 V HA -0.129 3.991 4.120 0.000 0.000 0.304 521 V C 1.070 177.169 176.094 0.008 0.000 1.142 521 V CA 1.345 63.650 62.300 0.008 0.000 1.282 521 V CB 0.835 32.663 31.823 0.008 0.000 0.877 521 V HN 0.522 nan 8.190 nan 0.000 0.504 522 S N 2.763 118.469 115.700 0.010 0.000 6.009 522 S HA 0.096 4.566 4.470 0.000 0.000 0.104 522 S C -0.127 174.481 174.600 0.014 0.000 1.171 522 S CA 0.449 58.656 58.200 0.011 0.000 1.364 522 S CB -0.725 62.482 63.200 0.011 0.000 1.747 522 S HN 0.682 nan 8.310 nan 0.000 0.498 523 L N 0.000 121.232 121.223 0.015 0.000 2.949 523 L HA 0.000 4.340 4.340 0.000 0.000 0.249 523 L CA 0.000 54.851 54.840 0.019 0.000 0.813 523 L CB 0.000 42.071 42.059 0.020 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502