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 3nne_1_G DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE ACIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.053 0.000 1.140 1 M CA 0.000 55.337 55.300 0.061 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 H N 3.606 122.666 119.070 -0.018 0.000 2.594 2 H HA 0.527 5.083 4.556 -0.000 0.000 0.304 2 H C -1.532 173.777 175.328 -0.033 0.000 1.068 2 H CA -0.647 55.380 56.048 -0.035 0.000 1.308 2 H CB 0.946 30.705 29.762 -0.004 0.000 1.409 2 H HN 0.574 nan 8.280 nan 0.000 0.460 3 I N 5.878 126.336 120.570 -0.186 0.000 2.336 3 I HA -0.006 4.164 4.170 -0.000 0.000 0.292 3 I C 0.540 176.462 176.117 -0.325 0.000 0.991 3 I CA -0.539 60.599 61.300 -0.269 0.000 1.227 3 I CB 1.330 39.263 38.000 -0.111 0.000 1.366 3 I HN 0.795 nan 8.210 nan 0.000 0.466 4 D N 3.206 123.379 120.400 -0.379 0.000 2.433 4 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 4 D C 0.258 176.505 176.300 -0.088 0.000 1.114 4 D CA 0.095 53.983 54.000 -0.186 0.000 0.837 4 D CB 0.208 40.902 40.800 -0.176 0.000 0.984 4 D HN 0.243 nan 8.370 nan 0.000 0.505 5 N N 0.727 119.368 118.700 -0.099 0.000 2.573 5 N HA 0.175 4.915 4.740 -0.000 0.000 0.262 5 N C 0.329 175.796 175.510 -0.072 0.000 1.029 5 N CA -0.617 52.397 53.050 -0.060 0.000 0.882 5 N CB 1.070 39.528 38.487 -0.049 0.000 1.204 5 N HN -0.008 nan 8.380 nan 0.000 0.519 6 I N 2.567 123.091 120.570 -0.076 0.000 2.300 6 I HA -0.225 3.945 4.170 -0.000 0.000 0.252 6 I C 1.382 177.404 176.117 -0.159 0.000 1.119 6 I CA 1.600 62.820 61.300 -0.132 0.000 1.384 6 I CB 0.246 38.120 38.000 -0.211 0.000 1.062 6 I HN 0.530 nan 8.210 nan 0.000 0.426 7 E N 0.380 120.508 120.200 -0.119 0.000 2.515 7 E HA -0.121 4.229 4.350 -0.000 0.000 0.201 7 E C 1.404 177.964 176.600 -0.067 0.000 1.071 7 E CA 0.419 56.767 56.400 -0.088 0.000 0.880 7 E CB -0.293 29.389 29.700 -0.031 0.000 0.828 7 E HN 0.533 nan 8.360 nan 0.000 0.540 8 N N -0.726 117.932 118.700 -0.069 0.000 2.368 8 N HA 0.031 4.771 4.740 -0.000 0.000 0.178 8 N C -0.260 175.218 175.510 -0.054 0.000 1.076 8 N CA -0.085 52.931 53.050 -0.056 0.000 0.889 8 N CB 0.269 38.721 38.487 -0.060 0.000 1.040 8 N HN 0.129 nan 8.380 nan 0.000 0.463 9 L N 1.570 122.757 121.223 -0.060 0.000 2.313 9 L HA 0.170 4.510 4.340 -0.000 0.000 0.282 9 L C 1.463 178.299 176.870 -0.058 0.000 1.092 9 L CA 0.091 54.906 54.840 -0.043 0.000 0.831 9 L CB 0.803 42.850 42.059 -0.020 0.000 1.159 9 L HN 0.080 nan 8.230 nan 0.000 0.442 10 S N 2.534 118.199 115.700 -0.058 0.000 2.339 10 S HA 0.074 4.544 4.470 -0.000 0.000 0.213 10 S C 0.552 175.095 174.600 -0.094 0.000 1.033 10 S CA 0.100 58.260 58.200 -0.067 0.000 0.950 10 S CB -0.258 62.907 63.200 -0.058 0.000 0.893 10 S HN 0.678 nan 8.310 nan 0.000 0.492 11 D N 1.512 121.834 120.400 -0.130 0.000 2.317 11 D HA 0.309 4.949 4.640 -0.000 0.000 0.252 11 D C 0.140 176.250 176.300 -0.316 0.000 1.174 11 D CA -0.056 53.816 54.000 -0.214 0.000 0.866 11 D CB 0.734 41.386 40.800 -0.247 0.000 1.127 11 D HN 0.327 nan 8.370 nan 0.000 0.467 12 R N 2.825 123.158 120.500 -0.278 0.000 2.586 12 R HA 0.159 4.499 4.340 -0.000 0.000 0.336 12 R C 0.033 176.153 176.300 -0.301 0.000 1.060 12 R CA -0.246 55.733 56.100 -0.203 0.000 1.079 12 R CB 0.796 31.079 30.300 -0.027 0.000 1.317 12 R HN 0.416 nan 8.270 nan 0.000 0.568 13 E N 0.937 120.768 120.200 -0.615 0.000 2.176 13 E HA 0.380 4.730 4.350 -0.000 0.000 0.267 13 E C -1.296 174.864 176.600 -0.734 0.000 0.893 13 E CA -0.524 55.615 56.400 -0.435 0.000 0.761 13 E CB 0.899 30.455 29.700 -0.240 0.000 1.133 13 E HN -0.129 nan 8.360 nan 0.000 0.409 14 F N 1.330 121.251 119.950 -0.047 0.000 2.629 14 F HA 0.288 4.815 4.527 -0.000 0.000 0.316 14 F C 1.076 176.823 175.800 -0.088 0.000 1.081 14 F CA -0.915 57.062 58.000 -0.039 0.000 0.954 14 F CB 1.107 40.103 39.000 -0.007 0.000 1.337 14 F HN 0.368 nan 8.300 nan 0.000 0.474 15 D N -0.177 120.282 120.400 0.097 0.000 2.178 15 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 15 D C -0.510 175.509 176.300 -0.468 0.000 0.974 15 D CA 1.974 55.850 54.000 -0.207 0.000 0.841 15 D CB 0.071 40.764 40.800 -0.178 0.000 0.953 15 D HN 0.339 nan 8.370 nan 0.000 0.478 16 Y N -0.713 119.663 120.300 0.126 0.000 2.433 16 Y HA 0.446 4.996 4.550 -0.000 0.000 0.337 16 Y C -0.291 175.604 175.900 -0.008 0.000 1.026 16 Y CA -0.770 57.363 58.100 0.056 0.000 1.037 16 Y CB 1.982 40.468 38.460 0.043 0.000 1.245 16 Y HN -0.325 nan 8.280 nan 0.000 0.443 17 I N 3.911 124.549 120.570 0.113 0.000 2.436 17 I HA 0.550 4.720 4.170 -0.000 0.000 0.289 17 I C -1.091 175.039 176.117 0.022 0.000 1.010 17 I CA -1.090 60.198 61.300 -0.020 0.000 1.098 17 I CB 1.792 39.761 38.000 -0.050 0.000 1.266 17 I HN 0.241 nan 8.210 nan 0.000 0.434 18 V N 6.742 126.652 119.914 -0.006 0.000 2.495 18 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 18 V C -0.159 175.927 176.094 -0.014 0.000 1.031 18 V CA -0.734 61.568 62.300 0.004 0.000 0.871 18 V CB 2.109 33.937 31.823 0.009 0.000 0.988 18 V HN 0.401 nan 8.190 nan 0.000 0.432 19 V N 3.581 123.489 119.914 -0.010 0.000 2.313 19 V HA 0.862 4.982 4.120 -0.000 0.000 0.278 19 V C 0.529 176.625 176.094 0.004 0.000 1.017 19 V CA 0.164 62.458 62.300 -0.010 0.000 0.823 19 V CB 0.738 32.550 31.823 -0.018 0.000 1.010 19 V HN 1.302 nan 8.190 nan 0.000 0.443 20 G N 3.324 112.139 108.800 0.025 0.000 3.373 20 G HA2 0.080 4.040 3.960 -0.000 0.000 0.685 20 G HA3 0.080 4.040 3.960 -0.000 0.000 0.685 20 G C 0.251 175.176 174.900 0.042 0.000 1.166 20 G CA -0.502 44.627 45.100 0.047 0.000 1.063 20 G HN 1.230 nan 8.290 nan 0.000 0.481 21 G N 0.897 109.734 108.800 0.062 0.000 3.452 21 G HA2 0.579 4.539 3.960 -0.000 0.000 0.258 21 G HA3 0.579 4.539 3.960 -0.000 0.000 0.258 21 G C 1.086 176.015 174.900 0.048 0.000 1.305 21 G CA 1.004 46.138 45.100 0.056 0.000 1.514 21 G HN 1.224 nan 8.290 nan 0.000 0.593 22 G N 0.305 109.127 108.800 0.037 0.000 2.546 22 G HA2 0.293 4.253 3.960 -0.000 0.000 0.239 22 G HA3 0.293 4.253 3.960 -0.000 0.000 0.239 22 G C 1.370 176.276 174.900 0.011 0.000 1.476 22 G CA 0.507 45.628 45.100 0.035 0.000 1.064 22 G HN 0.232 nan 8.290 nan 0.000 0.561 23 S N 0.106 115.817 115.700 0.019 0.000 2.343 23 S HA -0.114 4.356 4.470 -0.000 0.000 0.219 23 S C 2.721 177.295 174.600 -0.043 0.000 1.033 23 S CA 1.625 59.834 58.200 0.015 0.000 1.014 23 S CB -0.601 62.623 63.200 0.040 0.000 0.915 23 S HN 0.755 nan 8.310 nan 0.000 0.435 24 A N 1.475 124.270 122.820 -0.042 0.000 1.872 24 A HA 0.191 4.511 4.320 -0.000 0.000 0.214 24 A C 2.358 179.873 177.584 -0.115 0.000 1.187 24 A CA 1.562 53.553 52.037 -0.076 0.000 0.614 24 A CB -1.473 17.506 19.000 -0.036 0.000 0.826 24 A HN 0.509 nan 8.150 nan 0.000 0.442 25 G N -0.223 108.533 108.800 -0.073 0.000 2.446 25 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.217 25 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.217 25 G C 1.756 176.598 174.900 -0.098 0.000 1.168 25 G CA 1.618 46.680 45.100 -0.063 0.000 0.771 25 G HN 0.797 nan 8.290 nan 0.000 0.551 26 A N 1.100 123.851 122.820 -0.115 0.000 1.902 26 A HA 0.257 4.577 4.320 -0.000 0.000 0.217 26 A C 2.824 180.186 177.584 -0.371 0.000 1.181 26 A CA 2.334 54.286 52.037 -0.142 0.000 0.623 26 A CB -0.787 18.172 19.000 -0.068 0.000 0.818 26 A HN 0.816 nan 8.150 nan 0.000 0.443 27 A N -0.639 121.798 122.820 -0.638 0.000 1.898 27 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 27 A C 2.248 179.547 177.584 -0.475 0.000 1.181 27 A CA 1.737 53.144 52.037 -1.051 0.000 0.620 27 A CB -0.934 17.478 19.000 -0.981 0.000 0.819 27 A HN 0.361 nan 8.150 nan 0.000 0.442 28 V N -0.072 119.671 119.914 -0.285 0.000 2.261 28 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 28 V C 3.092 179.091 176.094 -0.158 0.000 1.047 28 V CA 2.040 64.232 62.300 -0.179 0.000 1.015 28 V CB -1.330 30.424 31.823 -0.116 0.000 0.642 28 V HN 0.629 nan 8.190 nan 0.000 0.446 29 A N 0.102 122.851 122.820 -0.117 0.000 1.859 29 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 29 A C 2.437 179.955 177.584 -0.109 0.000 1.198 29 A CA 2.644 54.656 52.037 -0.042 0.000 0.629 29 A CB -1.081 17.965 19.000 0.076 0.000 0.830 29 A HN 0.623 nan 8.150 nan 0.000 0.446 30 A N -0.987 121.721 122.820 -0.187 0.000 1.940 30 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 30 A C 2.214 179.730 177.584 -0.113 0.000 1.176 30 A CA 1.643 53.563 52.037 -0.195 0.000 0.631 30 A CB -0.425 18.517 19.000 -0.097 0.000 0.814 30 A HN 0.418 nan 8.150 nan 0.000 0.446 31 R N -0.457 119.978 120.500 -0.108 0.000 2.090 31 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 31 R C 2.073 178.315 176.300 -0.098 0.000 1.110 31 R CA 0.863 56.917 56.100 -0.077 0.000 0.973 31 R CB -1.065 29.189 30.300 -0.078 0.000 0.869 31 R HN 0.580 nan 8.270 nan 0.000 0.440 32 L N 0.530 121.669 121.223 -0.140 0.000 2.079 32 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 32 L C 2.075 178.897 176.870 -0.079 0.000 1.081 32 L CA 1.208 55.937 54.840 -0.185 0.000 0.752 32 L CB -0.361 41.514 42.059 -0.306 0.000 0.896 32 L HN 0.101 nan 8.230 nan 0.000 0.433 33 S N -0.708 114.968 115.700 -0.041 0.000 2.547 33 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 33 S C 1.561 176.164 174.600 0.006 0.000 0.980 33 S CA 0.597 58.807 58.200 0.017 0.000 0.941 33 S CB -0.198 62.992 63.200 -0.017 0.000 0.763 33 S HN 0.441 nan 8.310 nan 0.000 0.532 34 E N 0.921 121.110 120.200 -0.019 0.000 2.347 34 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 34 E C 0.274 176.879 176.600 0.009 0.000 1.008 34 E CA 0.301 56.696 56.400 -0.008 0.000 0.852 34 E CB 0.091 29.781 29.700 -0.016 0.000 0.783 34 E HN 0.277 nan 8.360 nan 0.000 0.505 35 D N 0.744 121.155 120.400 0.018 0.000 2.347 35 D HA 0.033 4.673 4.640 -0.000 0.000 0.235 35 D C -1.663 174.672 176.300 0.059 0.000 1.149 35 D CA -2.524 51.498 54.000 0.036 0.000 0.850 35 D CB 1.347 42.171 40.800 0.040 0.000 1.061 35 D HN -0.148 nan 8.370 nan 0.000 0.487 36 P HA -0.050 nan 4.420 nan 0.000 0.223 36 P C 0.933 178.275 177.300 0.069 0.000 1.151 36 P CA 0.493 63.630 63.100 0.062 0.000 0.787 36 P CB 0.147 31.875 31.700 0.047 0.000 0.788 37 A N -0.544 122.316 122.820 0.066 0.000 2.216 37 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 37 A C 1.125 178.763 177.584 0.090 0.000 1.160 37 A CA 0.738 52.815 52.037 0.067 0.000 0.725 37 A CB -0.613 18.422 19.000 0.058 0.000 0.784 37 A HN 0.165 nan 8.150 nan 0.000 0.472 38 V N 0.685 120.673 119.914 0.122 0.000 2.680 38 V HA 0.461 4.581 4.120 -0.000 0.000 0.309 38 V C 0.005 176.219 176.094 0.200 0.000 1.052 38 V CA -0.254 62.152 62.300 0.177 0.000 0.908 38 V CB 2.182 34.161 31.823 0.259 0.000 1.001 38 V HN 0.452 nan 8.190 nan 0.000 0.431 39 S N 4.480 120.310 115.700 0.216 0.000 2.578 39 S HA 0.854 5.323 4.470 -0.000 0.000 0.283 39 S C -0.830 173.975 174.600 0.341 0.000 1.195 39 S CA -0.675 57.684 58.200 0.265 0.000 1.050 39 S CB 1.837 65.189 63.200 0.254 0.000 1.012 39 S HN 0.515 nan 8.310 nan 0.000 0.511 40 V N 1.086 121.185 119.914 0.308 0.000 2.668 40 V HA 0.767 4.886 4.120 -0.000 0.000 0.304 40 V C -0.215 175.870 176.094 -0.016 0.000 1.071 40 V CA -0.674 61.767 62.300 0.234 0.000 0.894 40 V CB 1.538 33.539 31.823 0.296 0.000 1.008 40 V HN 1.244 nan 8.190 nan 0.000 0.425 41 A N 4.533 127.150 122.820 -0.339 0.000 2.330 41 A HA 0.932 5.252 4.320 -0.000 0.000 0.327 41 A C -1.238 176.162 177.584 -0.307 0.000 1.155 41 A CA -0.549 51.087 52.037 -0.669 0.000 0.803 41 A CB 1.433 19.506 19.000 -1.545 0.000 1.208 41 A HN 0.904 nan 8.150 nan 0.000 0.477 42 L N 3.433 124.508 121.223 -0.246 0.000 2.325 42 L HA 0.666 5.005 4.340 -0.000 0.000 0.281 42 L C -0.965 175.848 176.870 -0.096 0.000 1.004 42 L CA -0.251 54.552 54.840 -0.062 0.000 0.823 42 L CB 1.759 43.907 42.059 0.149 0.000 1.236 42 L HN 0.423 nan 8.230 nan 0.000 0.415 43 V N 3.819 123.696 119.914 -0.062 0.000 2.435 43 V HA 0.707 4.826 4.120 -0.000 0.000 0.290 43 V C -0.433 175.676 176.094 0.024 0.000 1.030 43 V CA -0.561 61.720 62.300 -0.033 0.000 0.881 43 V CB 1.334 33.130 31.823 -0.044 0.000 0.983 43 V HN 0.794 nan 8.190 nan 0.000 0.445 44 E N 3.331 123.560 120.200 0.049 0.000 2.275 44 E HA 0.722 5.072 4.350 -0.000 0.000 0.270 44 E C 0.302 176.964 176.600 0.103 0.000 0.882 44 E CA -0.059 56.394 56.400 0.088 0.000 0.758 44 E CB 2.039 31.790 29.700 0.086 0.000 1.195 44 E HN 0.582 nan 8.360 nan 0.000 0.419 45 A N 3.461 126.376 122.820 0.157 0.000 1.930 45 A HA 0.279 4.599 4.320 -0.000 0.000 0.215 45 A C 1.225 178.839 177.584 0.050 0.000 1.176 45 A CA 1.206 53.335 52.037 0.154 0.000 0.632 45 A CB -0.680 18.525 19.000 0.342 0.000 0.819 45 A HN 0.562 nan 8.150 nan 0.000 0.445 46 G N -0.590 108.228 108.800 0.029 0.000 2.563 46 G HA2 0.481 4.441 3.960 -0.000 0.000 0.283 46 G HA3 0.481 4.441 3.960 -0.000 0.000 0.283 46 G C -2.562 172.366 174.900 0.046 0.000 1.309 46 G CA -1.181 43.904 45.100 -0.026 0.000 1.022 46 G HN 0.223 nan 8.290 nan 0.000 0.501 47 P HA 0.154 nan 4.420 nan 0.000 0.277 47 P C -0.476 176.882 177.300 0.096 0.000 1.271 47 P CA -0.534 62.631 63.100 0.108 0.000 0.795 47 P CB 0.827 32.617 31.700 0.150 0.000 1.101 48 D N -0.136 120.302 120.400 0.063 0.000 2.390 48 D HA -0.064 4.576 4.640 -0.000 0.000 0.236 48 D C 0.879 177.191 176.300 0.021 0.000 1.189 48 D CA 0.313 54.301 54.000 -0.020 0.000 0.887 48 D CB 0.400 41.129 40.800 -0.117 0.000 1.198 48 D HN 0.360 nan 8.370 nan 0.000 0.444 49 D N 1.406 121.817 120.400 0.018 0.000 2.423 49 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 49 D C 0.239 176.551 176.300 0.020 0.000 1.060 49 D CA -0.171 53.840 54.000 0.019 0.000 0.872 49 D CB -0.080 40.749 40.800 0.048 0.000 1.012 49 D HN 0.242 nan 8.370 nan 0.000 0.503 50 R N 0.724 121.203 120.500 -0.035 0.000 2.566 50 R HA 0.237 4.577 4.340 -0.000 0.000 0.273 50 R C 1.293 177.574 176.300 -0.032 0.000 0.981 50 R CA 1.157 57.202 56.100 -0.093 0.000 1.091 50 R CB -0.182 29.968 30.300 -0.249 0.000 0.924 50 R HN 0.340 nan 8.270 nan 0.000 0.411 51 G N 1.412 110.204 108.800 -0.012 0.000 2.180 51 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 51 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 51 G C 0.099 175.004 174.900 0.009 0.000 0.989 51 G CA 0.357 45.459 45.100 0.003 0.000 0.692 51 G HN 0.435 nan 8.290 nan 0.000 0.526 52 V N 1.516 121.426 119.914 -0.008 0.000 2.288 52 V HA 0.293 4.413 4.120 -0.000 0.000 0.266 52 V C -0.443 175.625 176.094 -0.043 0.000 1.048 52 V CA -0.659 61.620 62.300 -0.036 0.000 0.842 52 V CB 1.449 33.201 31.823 -0.120 0.000 1.064 52 V HN 0.138 nan 8.190 nan 0.000 0.472 53 P HA -0.038 nan 4.420 nan 0.000 0.222 53 P C 1.052 178.357 177.300 0.009 0.000 1.153 53 P CA 0.714 63.819 63.100 0.009 0.000 0.798 53 P CB 0.514 32.228 31.700 0.024 0.000 0.796 54 E N -0.356 119.841 120.200 -0.006 0.000 2.204 54 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 54 E C 1.879 178.465 176.600 -0.022 0.000 0.989 54 E CA 0.769 57.172 56.400 0.006 0.000 0.824 54 E CB -0.840 28.877 29.700 0.028 0.000 0.756 54 E HN 0.099 nan 8.360 nan 0.000 0.477 55 V N 0.560 120.408 119.914 -0.110 0.000 2.436 55 V HA -0.093 4.027 4.120 -0.000 0.000 0.240 55 V C 2.106 178.192 176.094 -0.013 0.000 1.040 55 V CA 0.829 63.071 62.300 -0.098 0.000 1.052 55 V CB -0.353 31.328 31.823 -0.235 0.000 0.707 55 V HN 0.214 nan 8.190 nan 0.000 0.469 56 L N -0.397 120.819 121.223 -0.012 0.000 2.012 56 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 56 L C 1.475 178.365 176.870 0.033 0.000 1.073 56 L CA 1.383 56.233 54.840 0.015 0.000 0.748 56 L CB -0.400 41.673 42.059 0.022 0.000 0.891 56 L HN 0.362 nan 8.230 nan 0.000 0.431 57 Q N 0.862 120.691 119.800 0.048 0.000 2.307 57 Q HA -0.010 4.330 4.340 -0.000 0.000 0.261 57 Q C 0.924 176.994 176.000 0.116 0.000 1.051 57 Q CA -0.298 55.548 55.803 0.071 0.000 0.911 57 Q CB 1.323 30.106 28.738 0.075 0.000 1.227 57 Q HN 0.175 nan 8.270 nan 0.000 0.418 58 L N 4.826 126.119 121.223 0.115 0.000 2.083 58 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 58 L C 1.615 178.675 176.870 0.316 0.000 1.083 58 L CA 2.284 57.230 54.840 0.176 0.000 0.752 58 L CB -0.303 41.819 42.059 0.104 0.000 0.899 58 L HN 0.731 nan 8.230 nan 0.000 0.433 59 D N -1.079 119.466 120.400 0.241 0.000 2.378 59 D HA -0.197 4.443 4.640 -0.000 0.000 0.222 59 D C 1.530 178.097 176.300 0.444 0.000 0.980 59 D CA 0.737 54.923 54.000 0.311 0.000 0.907 59 D CB -0.453 40.416 40.800 0.116 0.000 0.899 59 D HN 0.423 nan 8.370 nan 0.000 0.527 60 R N 0.393 121.072 120.500 0.298 0.000 2.310 60 R HA 0.054 4.394 4.340 -0.000 0.000 0.202 60 R C 1.669 178.066 176.300 0.162 0.000 0.933 60 R CA 0.062 56.279 56.100 0.195 0.000 1.054 60 R CB -0.470 29.912 30.300 0.138 0.000 0.985 60 R HN 0.520 nan 8.270 nan 0.000 0.489 61 W N 0.433 121.837 121.300 0.174 0.000 2.392 61 W HA -0.108 4.552 4.660 -0.000 0.000 0.279 61 W C 1.103 177.674 176.519 0.087 0.000 1.225 61 W CA 0.430 57.842 57.345 0.111 0.000 1.233 61 W CB -0.655 28.862 29.460 0.095 0.000 1.122 61 W HN -0.034 nan 8.180 nan 0.000 0.561 62 M N 1.217 120.410 119.600 -0.677 0.000 2.296 62 M HA -0.121 4.359 4.480 -0.000 0.000 0.265 62 M C 1.851 178.002 176.300 -0.247 0.000 1.064 62 M CA 1.692 56.565 55.300 -0.712 0.000 1.109 62 M CB -0.529 31.563 32.600 -0.847 0.000 1.396 62 M HN 0.015 nan 8.290 nan 0.000 0.430 63 E N 0.677 120.799 120.200 -0.131 0.000 2.265 63 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 63 E C 1.852 178.472 176.600 0.034 0.000 0.996 63 E CA 0.832 57.211 56.400 -0.035 0.000 0.832 63 E CB -0.195 29.507 29.700 0.003 0.000 0.756 63 E HN 0.556 nan 8.360 nan 0.000 0.491 64 L N 0.665 121.935 121.223 0.078 0.000 2.313 64 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 64 L C 0.892 177.856 176.870 0.157 0.000 1.119 64 L CA 0.052 54.990 54.840 0.163 0.000 0.809 64 L CB -0.115 42.082 42.059 0.230 0.000 0.933 64 L HN 0.083 nan 8.230 nan 0.000 0.449 65 L N 0.342 121.620 121.223 0.092 0.000 2.453 65 L HA -0.011 4.328 4.340 -0.000 0.000 0.272 65 L C 1.036 177.947 176.870 0.068 0.000 1.182 65 L CA 0.101 54.992 54.840 0.085 0.000 0.858 65 L CB 0.377 42.459 42.059 0.039 0.000 1.120 65 L HN 0.144 nan 8.230 nan 0.000 0.474 66 E N -0.446 119.800 120.200 0.077 0.000 3.680 66 E HA -0.270 4.080 4.350 -0.000 0.000 0.309 66 E C 0.626 177.240 176.600 0.023 0.000 0.793 66 E CA 1.199 57.626 56.400 0.046 0.000 1.083 66 E CB -0.725 28.996 29.700 0.035 0.000 1.548 66 E HN 0.848 nan 8.360 nan 0.000 0.456 67 S N -1.455 114.270 115.700 0.042 0.000 2.562 67 S HA 0.379 4.849 4.470 -0.000 0.000 0.256 67 S C 1.518 176.091 174.600 -0.046 0.000 1.248 67 S CA -0.131 58.084 58.200 0.025 0.000 0.988 67 S CB 0.911 64.173 63.200 0.103 0.000 1.035 67 S HN 0.312 nan 8.310 nan 0.000 0.548 68 G N -1.334 107.386 108.800 -0.135 0.000 2.985 68 G HA2 0.155 4.115 3.960 -0.000 0.000 0.209 68 G HA3 0.155 4.115 3.960 -0.000 0.000 0.209 68 G C 0.223 174.791 174.900 -0.553 0.000 1.165 68 G CA -0.058 44.833 45.100 -0.350 0.000 0.776 68 G HN 0.704 nan 8.290 nan 0.000 0.541 69 Y N -0.089 120.163 120.300 -0.081 0.000 2.524 69 Y HA 0.291 4.841 4.550 -0.000 0.000 0.266 69 Y C 0.207 176.025 175.900 -0.137 0.000 1.180 69 Y CA -0.869 57.167 58.100 -0.106 0.000 1.244 69 Y CB 0.708 39.150 38.460 -0.030 0.000 1.125 69 Y HN 0.020 nan 8.280 nan 0.000 0.524 70 D N -1.231 119.133 120.400 -0.060 0.000 2.391 70 D HA 0.089 4.729 4.640 -0.000 0.000 0.245 70 D C 0.081 176.285 176.300 -0.160 0.000 1.069 70 D CA -0.775 53.206 54.000 -0.031 0.000 0.831 70 D CB 0.832 41.675 40.800 0.071 0.000 1.204 70 D HN 0.095 nan 8.370 nan 0.000 0.503 71 W N 1.890 123.098 121.300 -0.153 0.000 2.358 71 W HA -0.036 4.624 4.660 -0.000 0.000 0.303 71 W C 0.713 176.920 176.519 -0.520 0.000 1.208 71 W CA 0.727 57.852 57.345 -0.367 0.000 1.274 71 W CB -0.085 29.055 29.460 -0.532 0.000 1.138 71 W HN 0.490 nan 8.180 nan 0.000 0.515 72 D N -1.523 118.772 120.400 -0.176 0.000 3.061 72 D HA -0.201 4.439 4.640 -0.000 0.000 0.252 72 D C -1.497 174.733 176.300 -0.117 0.000 1.080 72 D CA 0.279 54.233 54.000 -0.077 0.000 0.871 72 D CB -1.702 39.084 40.800 -0.023 0.000 1.018 72 D HN 0.136 nan 8.370 nan 0.000 0.425 73 Y N 1.482 121.921 120.300 0.232 0.000 2.477 73 Y HA 0.373 4.923 4.550 -0.000 0.000 0.349 73 Y C -1.420 174.591 175.900 0.185 0.000 0.977 73 Y CA -1.967 56.241 58.100 0.180 0.000 1.214 73 Y CB 0.636 39.183 38.460 0.144 0.000 1.124 73 Y HN 0.052 nan 8.280 nan 0.000 0.521 74 P HA 0.099 nan 4.420 nan 0.000 0.272 74 P C -0.101 177.313 177.300 0.189 0.000 1.223 74 P CA -0.104 63.105 63.100 0.182 0.000 0.784 74 P CB 1.346 33.108 31.700 0.104 0.000 0.923 75 I N -1.639 119.032 120.570 0.168 0.000 2.664 75 I HA 0.432 4.602 4.170 -0.000 0.000 0.308 75 I C 0.467 176.633 176.117 0.082 0.000 0.984 75 I CA -1.141 60.251 61.300 0.153 0.000 1.213 75 I CB 0.550 38.682 38.000 0.221 0.000 1.379 75 I HN 0.079 nan 8.210 nan 0.000 0.501 76 E N 2.837 123.071 120.200 0.057 0.000 2.438 76 E HA 0.174 4.524 4.350 -0.000 0.000 0.261 76 E C -2.255 174.368 176.600 0.039 0.000 1.103 76 E CA -1.734 54.684 56.400 0.031 0.000 0.959 76 E CB -0.365 29.342 29.700 0.011 0.000 0.958 76 E HN 0.446 nan 8.360 nan 0.000 0.447 77 P HA -0.030 nan 4.420 nan 0.000 0.263 77 P C -0.477 176.862 177.300 0.064 0.000 1.195 77 P CA 0.428 63.548 63.100 0.033 0.000 0.762 77 P CB 0.405 32.116 31.700 0.019 0.000 0.799 78 Q N 2.864 122.728 119.800 0.106 0.000 2.294 78 Q HA 0.032 4.372 4.340 -0.000 0.000 0.257 78 Q C 1.308 177.389 176.000 0.135 0.000 0.955 78 Q CA 0.031 55.924 55.803 0.150 0.000 0.936 78 Q CB 0.947 29.840 28.738 0.258 0.000 1.188 78 Q HN 0.601 nan 8.270 nan 0.000 0.420 79 E N 1.041 121.310 120.200 0.113 0.000 2.347 79 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 79 E C 0.320 176.993 176.600 0.122 0.000 1.008 79 E CA 0.826 57.284 56.400 0.098 0.000 0.852 79 E CB 0.289 30.032 29.700 0.072 0.000 0.783 79 E HN 0.308 nan 8.360 nan 0.000 0.505 80 N N -0.265 118.539 118.700 0.174 0.000 2.453 80 N HA 0.202 4.942 4.740 -0.000 0.000 0.267 80 N C -0.972 174.719 175.510 0.301 0.000 1.482 80 N CA 0.352 53.521 53.050 0.197 0.000 0.841 80 N CB 1.360 39.963 38.487 0.194 0.000 1.408 80 N HN 0.232 nan 8.380 nan 0.000 0.490 81 G N -0.388 108.610 108.800 0.329 0.000 2.827 81 G HA2 0.245 4.205 3.960 -0.000 0.000 0.296 81 G HA3 0.245 4.205 3.960 -0.000 0.000 0.296 81 G C -1.504 173.601 174.900 0.341 0.000 1.362 81 G CA -0.647 44.749 45.100 0.493 0.000 0.809 81 G HN 0.170 nan 8.290 nan 0.000 0.522 82 N N 0.073 118.931 118.700 0.263 0.000 2.420 82 N HA 0.287 5.026 4.740 -0.000 0.000 0.249 82 N C 0.811 176.398 175.510 0.127 0.000 1.033 82 N CA -0.155 52.922 53.050 0.045 0.000 0.944 82 N CB 1.487 39.783 38.487 -0.318 0.000 1.113 82 N HN 0.139 nan 8.380 nan 0.000 0.502 83 S N 2.693 118.512 115.700 0.198 0.000 2.562 83 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 83 S C 0.602 175.185 174.600 -0.029 0.000 0.975 83 S CA 0.106 58.354 58.200 0.081 0.000 0.918 83 S CB -0.262 62.943 63.200 0.008 0.000 0.772 83 S HN 0.583 nan 8.310 nan 0.000 0.531 84 F N 0.932 120.894 119.950 0.019 0.000 2.765 84 F HA 0.352 4.878 4.527 -0.000 0.000 0.302 84 F C 0.947 176.739 175.800 -0.014 0.000 1.111 84 F CA -0.078 57.926 58.000 0.007 0.000 1.359 84 F CB -0.185 38.814 39.000 -0.002 0.000 1.097 84 F HN 0.157 nan 8.300 nan 0.000 0.577 85 M N 1.232 120.902 119.600 0.115 0.000 2.245 85 M HA 0.177 4.657 4.480 -0.000 0.000 0.344 85 M C -0.148 176.196 176.300 0.075 0.000 1.170 85 M CA 0.727 56.039 55.300 0.020 0.000 1.135 85 M CB 0.580 33.151 32.600 -0.048 0.000 1.574 85 M HN 0.029 nan 8.290 nan 0.000 0.452 86 R N 2.504 123.038 120.500 0.056 0.000 2.514 86 R HA 0.264 4.604 4.340 -0.000 0.000 0.296 86 R C -1.010 175.398 176.300 0.180 0.000 1.012 86 R CA -0.711 55.474 56.100 0.141 0.000 0.897 86 R CB 1.351 31.744 30.300 0.154 0.000 1.184 86 R HN 0.660 nan 8.270 nan 0.000 0.440 87 H N 2.182 121.437 119.070 0.308 0.000 3.118 87 H HA 0.150 4.706 4.556 -0.000 0.000 0.266 87 H C 0.069 175.661 175.328 0.440 0.000 1.465 87 H CA -0.099 56.189 56.048 0.401 0.000 1.460 87 H CB 0.524 30.496 29.762 0.350 0.000 1.661 87 H HN 0.631 nan 8.280 nan 0.000 0.516 88 A N 4.823 127.979 122.820 0.560 0.000 2.540 88 A HA 0.190 4.510 4.320 -0.000 0.000 0.239 88 A C 0.459 178.343 177.584 0.501 0.000 1.061 88 A CA 0.168 52.445 52.037 0.400 0.000 0.758 88 A CB 0.319 19.435 19.000 0.194 0.000 0.991 88 A HN 0.612 nan 8.150 nan 0.000 0.502 89 R N 1.271 122.005 120.500 0.390 0.000 2.515 89 R HA 0.468 4.808 4.340 -0.000 0.000 0.291 89 R C -0.425 175.925 176.300 0.083 0.000 1.046 89 R CA -0.258 56.017 56.100 0.291 0.000 0.914 89 R CB 1.779 32.372 30.300 0.488 0.000 1.191 89 R HN 0.929 nan 8.270 nan 0.000 0.435 90 A N 2.957 125.479 122.820 -0.498 0.000 2.511 90 A HA 0.093 4.413 4.320 -0.000 0.000 0.242 90 A C 0.118 177.731 177.584 0.048 0.000 1.069 90 A CA 0.399 52.264 52.037 -0.287 0.000 0.763 90 A CB 0.234 18.984 19.000 -0.416 0.000 1.001 90 A HN 0.592 nan 8.150 nan 0.000 0.498 91 K N 2.503 122.855 120.400 -0.080 0.000 2.579 91 K HA 0.545 4.865 4.320 -0.000 0.000 0.225 91 K C -1.449 175.137 176.600 -0.023 0.000 0.992 91 K CA -0.245 55.919 56.287 -0.205 0.000 1.018 91 K CB 0.936 32.836 32.500 -0.999 0.000 1.249 91 K HN 0.918 nan 8.250 nan 0.000 0.489 92 V N 3.711 123.669 119.914 0.073 0.000 2.760 92 V HA 0.065 4.185 4.120 -0.000 0.000 0.260 92 V C -1.466 174.678 176.094 0.083 0.000 1.825 92 V CA -0.980 61.387 62.300 0.111 0.000 0.867 92 V CB 1.679 33.586 31.823 0.139 0.000 1.377 92 V HN 0.681 nan 8.190 nan 0.000 0.434 93 M N 3.436 123.082 119.600 0.076 0.000 2.245 93 M HA 0.312 4.791 4.480 -0.000 0.000 0.335 93 M C 1.568 177.907 176.300 0.065 0.000 1.155 93 M CA 1.923 57.269 55.300 0.077 0.000 1.055 93 M CB -0.269 32.381 32.600 0.084 0.000 1.670 93 M HN 1.849 nan 8.290 nan 0.000 0.447 94 G N 1.982 110.819 108.800 0.062 0.000 2.199 94 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.254 94 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.254 94 G C 0.774 175.704 174.900 0.049 0.000 0.982 94 G CA 0.508 45.635 45.100 0.045 0.000 0.632 94 G HN 1.504 nan 8.290 nan 0.000 0.529 95 G N -1.102 107.732 108.800 0.057 0.000 2.574 95 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.282 95 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.282 95 G C 1.334 176.243 174.900 0.016 0.000 1.257 95 G CA 1.064 46.197 45.100 0.054 0.000 0.956 95 G HN 1.373 nan 8.290 nan 0.000 0.560 96 C N 0.934 120.236 119.300 0.005 0.000 2.437 96 C HA 0.130 4.589 4.460 -0.000 0.000 0.283 96 C C 3.314 178.424 174.990 0.201 0.000 1.424 96 C CA 1.987 61.020 59.018 0.025 0.000 1.782 96 C CB -1.554 26.263 27.740 0.127 0.000 1.833 96 C HN 1.134 nan 8.230 nan 0.000 0.532 97 S N 0.193 115.957 115.700 0.106 0.000 2.419 97 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 97 S C 1.744 176.389 174.600 0.075 0.000 1.016 97 S CA 2.041 60.289 58.200 0.080 0.000 0.974 97 S CB -0.305 62.932 63.200 0.061 0.000 0.786 97 S HN 0.563 nan 8.310 nan 0.000 0.492 98 S N 0.213 115.961 115.700 0.081 0.000 2.558 98 S HA 0.117 4.587 4.470 -0.000 0.000 0.217 98 S C 1.233 175.920 174.600 0.146 0.000 0.975 98 S CA 0.453 58.696 58.200 0.071 0.000 0.912 98 S CB -0.280 62.939 63.200 0.032 0.000 0.776 98 S HN 1.001 nan 8.310 nan 0.000 0.526 99 H N 0.020 119.116 119.070 0.044 0.000 2.827 99 H HA 0.328 4.884 4.556 -0.000 0.000 0.269 99 H C 0.542 175.900 175.328 0.051 0.000 1.031 99 H CA -0.468 55.632 56.048 0.087 0.000 1.202 99 H CB 0.097 29.925 29.762 0.110 0.000 1.511 99 H HN 0.283 nan 8.280 nan 0.000 0.517 100 N N 1.037 119.740 118.700 0.006 0.000 2.405 100 N HA 0.123 4.863 4.740 -0.000 0.000 0.269 100 N C 0.891 175.987 175.510 -0.690 0.000 1.249 100 N CA 0.047 52.878 53.050 -0.364 0.000 0.974 100 N CB 0.766 39.168 38.487 -0.143 0.000 1.204 100 N HN 0.231 nan 8.380 nan 0.000 0.565 101 A N -1.172 121.080 122.820 -0.948 0.000 2.238 101 A HA 0.190 4.510 4.320 -0.000 0.000 0.208 101 A C 0.727 178.058 177.584 -0.422 0.000 1.177 101 A CA -0.071 51.346 52.037 -1.033 0.000 0.804 101 A CB -1.234 17.182 19.000 -0.974 0.000 0.823 101 A HN 0.823 nan 8.150 nan 0.000 0.482 102 C N -1.385 117.741 119.300 -0.290 0.000 4.297 102 C HA -0.173 4.287 4.460 -0.000 0.000 0.290 102 C C 0.582 175.484 174.990 -0.146 0.000 1.444 102 C CA 0.199 59.127 59.018 -0.152 0.000 1.982 102 C CB -2.995 24.690 27.740 -0.092 0.000 1.276 102 C HN 0.589 nan 8.230 nan 0.000 0.797 103 I N 1.086 121.522 120.570 -0.223 0.000 2.471 103 I HA 0.395 4.565 4.170 -0.000 0.000 0.286 103 I C 0.673 176.643 176.117 -0.245 0.000 1.079 103 I CA 0.900 61.990 61.300 -0.350 0.000 1.398 103 I CB 0.656 38.265 38.000 -0.652 0.000 1.403 103 I HN 0.432 nan 8.210 nan 0.000 0.530 104 A N 7.691 130.341 122.820 -0.284 0.000 2.310 104 A HA 0.723 5.043 4.320 -0.000 0.000 0.304 104 A C -1.014 176.406 177.584 -0.274 0.000 1.231 104 A CA -0.297 51.647 52.037 -0.155 0.000 0.799 104 A CB 0.223 19.185 19.000 -0.063 0.000 1.162 104 A HN 0.548 nan 8.150 nan 0.000 0.486 105 F N 1.430 121.394 119.950 0.023 0.000 2.507 105 F HA 0.532 5.059 4.527 -0.000 0.000 0.325 105 F C -0.384 175.467 175.800 0.084 0.000 1.116 105 F CA -0.484 57.548 58.000 0.054 0.000 0.930 105 F CB 1.542 40.536 39.000 -0.010 0.000 1.146 105 F HN 0.624 nan 8.300 nan 0.000 0.447 106 W N 2.758 123.994 121.300 -0.107 0.000 2.181 106 W HA 0.479 5.139 4.660 -0.000 0.000 0.335 106 W C 0.215 176.634 176.519 -0.167 0.000 1.310 106 W CA -0.776 56.236 57.345 -0.555 0.000 1.226 106 W CB 0.056 29.010 29.460 -0.843 0.000 1.155 106 W HN 0.521 nan 8.180 nan 0.000 0.565 107 A N 5.278 128.185 122.820 0.146 0.000 2.371 107 A HA 0.500 4.820 4.320 -0.000 0.000 0.257 107 A C -2.186 175.575 177.584 0.295 0.000 1.089 107 A CA -1.375 50.794 52.037 0.220 0.000 0.794 107 A CB -0.433 18.705 19.000 0.231 0.000 1.029 107 A HN 0.401 nan 8.150 nan 0.000 0.488 108 P HA 0.013 nan 4.420 nan 0.000 0.265 108 P C 0.751 178.175 177.300 0.207 0.000 1.193 108 P CA 0.002 63.217 63.100 0.192 0.000 0.765 108 P CB 0.483 32.228 31.700 0.074 0.000 0.823 109 R N 2.680 123.288 120.500 0.179 0.000 2.170 109 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 109 R C 0.869 177.137 176.300 -0.054 0.000 1.145 109 R CA 1.654 57.710 56.100 -0.073 0.000 0.984 109 R CB -0.658 29.452 30.300 -0.317 0.000 0.869 109 R HN 0.331 nan 8.270 nan 0.000 0.455 110 E N 1.186 121.384 120.200 -0.004 0.000 2.072 110 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 110 E C 1.605 178.232 176.600 0.045 0.000 0.982 110 E CA 1.375 57.779 56.400 0.006 0.000 0.803 110 E CB -0.152 29.553 29.700 0.007 0.000 0.755 110 E HN 0.334 nan 8.360 nan 0.000 0.453 111 D N 0.401 120.844 120.400 0.072 0.000 2.087 111 D HA -0.155 4.485 4.640 -0.000 0.000 0.192 111 D C 2.012 178.267 176.300 -0.075 0.000 0.993 111 D CA 1.073 55.146 54.000 0.122 0.000 0.828 111 D CB -0.239 40.660 40.800 0.164 0.000 0.968 111 D HN 0.156 nan 8.370 nan 0.000 0.448 112 L N 0.673 121.737 121.223 -0.265 0.000 2.093 112 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 112 L C 1.945 178.708 176.870 -0.178 0.000 1.085 112 L CA 0.809 55.321 54.840 -0.548 0.000 0.755 112 L CB -0.333 41.513 42.059 -0.354 0.000 0.904 112 L HN -0.118 nan 8.230 nan 0.000 0.435 113 D N 0.287 120.654 120.400 -0.056 0.000 2.218 113 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 113 D C 2.082 178.448 176.300 0.111 0.000 0.976 113 D CA 0.956 54.967 54.000 0.017 0.000 0.853 113 D CB 0.033 40.818 40.800 -0.025 0.000 0.939 113 D HN 0.378 nan 8.370 nan 0.000 0.481 114 E N -0.628 119.676 120.200 0.173 0.000 2.150 114 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 114 E C 1.725 178.633 176.600 0.512 0.000 0.985 114 E CA 0.342 56.915 56.400 0.288 0.000 0.814 114 E CB -0.032 29.891 29.700 0.371 0.000 0.752 114 E HN 0.354 nan 8.360 nan 0.000 0.466 115 W N 1.438 122.905 121.300 0.278 0.000 2.350 115 W HA -0.166 4.494 4.660 -0.000 0.000 0.289 115 W C 2.136 178.792 176.519 0.227 0.000 1.215 115 W CA 0.953 58.462 57.345 0.274 0.000 1.236 115 W CB -0.559 29.006 29.460 0.175 0.000 1.130 115 W HN 0.211 nan 8.180 nan 0.000 0.541 116 E N -0.710 119.737 120.200 0.412 0.000 2.099 116 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 116 E C 2.220 178.908 176.600 0.146 0.000 0.962 116 E CA 0.985 57.542 56.400 0.261 0.000 0.826 116 E CB -0.108 29.726 29.700 0.222 0.000 0.788 116 E HN 0.010 nan 8.360 nan 0.000 0.461 117 A N 1.052 123.937 122.820 0.109 0.000 1.970 117 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 117 A C 2.044 179.610 177.584 -0.029 0.000 1.170 117 A CA 1.210 53.267 52.037 0.034 0.000 0.645 117 A CB -0.100 18.913 19.000 0.021 0.000 0.816 117 A HN 0.126 nan 8.150 nan 0.000 0.447 118 K N -2.417 117.938 120.400 -0.073 0.000 2.350 118 K HA 0.133 4.453 4.320 -0.000 0.000 0.196 118 K C 0.595 176.897 176.600 -0.497 0.000 1.084 118 K CA 0.291 56.383 56.287 -0.325 0.000 0.967 118 K CB 0.219 32.426 32.500 -0.488 0.000 0.950 118 K HN 0.490 nan 8.250 nan 0.000 0.512 119 Y N -0.310 120.020 120.300 0.050 0.000 2.485 119 Y HA 0.266 4.816 4.550 -0.000 0.000 0.260 119 Y C 1.011 176.897 175.900 -0.023 0.000 1.173 119 Y CA 0.196 58.288 58.100 -0.014 0.000 1.252 119 Y CB 1.354 39.773 38.460 -0.069 0.000 1.123 119 Y HN 0.265 nan 8.280 nan 0.000 0.524 120 G N 0.832 109.687 108.800 0.091 0.000 2.153 120 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 120 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 120 G C 0.288 175.244 174.900 0.094 0.000 0.994 120 G CA 0.156 45.296 45.100 0.068 0.000 0.698 120 G HN 0.581 nan 8.290 nan 0.000 0.521 121 A N 1.135 124.043 122.820 0.146 0.000 2.923 121 A HA 0.646 4.965 4.320 -0.000 0.000 0.306 121 A C 1.014 178.786 177.584 0.314 0.000 1.542 121 A CA 0.730 52.874 52.037 0.178 0.000 1.225 121 A CB -0.164 18.893 19.000 0.095 0.000 1.147 121 A HN 0.843 nan 8.150 nan 0.000 0.542 122 T N 0.917 115.609 114.554 0.230 0.000 2.903 122 T HA 0.318 4.668 4.350 -0.000 0.000 0.299 122 T C 1.630 176.479 174.700 0.249 0.000 1.041 122 T CA 1.551 63.769 62.100 0.197 0.000 1.138 122 T CB 0.384 69.327 68.868 0.124 0.000 1.040 122 T HN 1.824 nan 8.240 nan 0.000 0.524 123 G N 2.162 111.051 108.800 0.149 0.000 2.234 123 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 123 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 123 G C -0.078 174.783 174.900 -0.065 0.000 0.987 123 G CA -0.289 44.821 45.100 0.016 0.000 0.625 123 G HN 0.730 nan 8.290 nan 0.000 0.532 124 W N 2.545 123.913 121.300 0.113 0.000 2.317 124 W HA 0.625 5.285 4.660 -0.000 0.000 0.327 124 W C 0.441 177.020 176.519 0.100 0.000 1.036 124 W CA -0.064 57.373 57.345 0.153 0.000 1.419 124 W CB 0.403 30.063 29.460 0.333 0.000 1.253 124 W HN 0.592 nan 8.180 nan 0.000 0.392 125 N N 0.200 118.980 118.700 0.132 0.000 3.039 125 N HA 0.586 5.325 4.740 -0.000 0.000 0.257 125 N C 0.496 175.996 175.510 -0.016 0.000 1.497 125 N CA -0.427 52.647 53.050 0.040 0.000 0.861 125 N CB 0.413 38.908 38.487 0.014 0.000 1.479 125 N HN 0.082 nan 8.380 nan 0.000 0.547 126 A N -0.203 122.565 122.820 -0.087 0.000 1.986 126 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 126 A C 1.480 179.006 177.584 -0.097 0.000 1.171 126 A CA 1.791 53.731 52.037 -0.161 0.000 0.640 126 A CB -1.021 17.613 19.000 -0.611 0.000 0.811 126 A HN 0.793 nan 8.150 nan 0.000 0.451 127 E N -0.353 119.782 120.200 -0.107 0.000 2.204 127 E HA -0.019 4.330 4.350 -0.000 0.000 0.194 127 E C 2.162 178.757 176.600 -0.009 0.000 0.989 127 E CA 0.750 57.118 56.400 -0.053 0.000 0.824 127 E CB -0.233 29.430 29.700 -0.062 0.000 0.756 127 E HN 0.663 nan 8.360 nan 0.000 0.477 128 A N 1.269 124.063 122.820 -0.043 0.000 1.898 128 A HA 0.106 4.426 4.320 -0.000 0.000 0.214 128 A C 2.293 179.828 177.584 -0.083 0.000 1.183 128 A CA 1.307 53.278 52.037 -0.110 0.000 0.622 128 A CB -0.262 18.595 19.000 -0.239 0.000 0.824 128 A HN 0.269 nan 8.150 nan 0.000 0.444 129 A N -1.832 120.990 122.820 0.003 0.000 1.911 129 A HA 0.027 4.347 4.320 -0.000 0.000 0.212 129 A C 2.088 179.723 177.584 0.086 0.000 1.189 129 A CA 0.584 52.590 52.037 -0.052 0.000 0.639 129 A CB -0.824 18.203 19.000 0.044 0.000 0.839 129 A HN 0.719 nan 8.150 nan 0.000 0.449 130 W N 0.759 122.090 121.300 0.051 0.000 2.318 130 W HA -0.164 4.496 4.660 -0.000 0.000 0.313 130 W C -0.872 175.701 176.519 0.089 0.000 1.221 130 W CA 2.079 59.550 57.345 0.211 0.000 1.266 130 W CB -1.117 28.500 29.460 0.262 0.000 1.150 130 W HN 0.308 nan 8.180 nan 0.000 0.496 131 P HA -0.124 nan 4.420 nan 0.000 0.223 131 P C 1.597 178.890 177.300 -0.013 0.000 1.151 131 P CA 1.437 64.601 63.100 0.107 0.000 0.787 131 P CB -0.345 31.399 31.700 0.074 0.000 0.788 132 L N -2.693 118.465 121.223 -0.108 0.000 2.131 132 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 132 L C 2.467 179.182 176.870 -0.259 0.000 1.087 132 L CA 1.255 55.980 54.840 -0.192 0.000 0.767 132 L CB -1.021 40.883 42.059 -0.258 0.000 0.917 132 L HN -0.052 nan 8.230 nan 0.000 0.441 133 Y N 0.627 120.670 120.300 -0.428 0.000 2.114 133 Y HA -0.347 4.202 4.550 -0.000 0.000 0.282 133 Y C 2.847 178.443 175.900 -0.506 0.000 1.165 133 Y CA 1.557 59.191 58.100 -0.778 0.000 1.148 133 Y CB -0.144 37.164 38.460 -1.920 0.000 0.972 133 Y HN 0.089 nan 8.280 nan 0.000 0.504 134 K N 0.538 120.862 120.400 -0.127 0.000 2.063 134 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 134 K C 2.279 178.893 176.600 0.025 0.000 1.048 134 K CA 1.533 57.866 56.287 0.077 0.000 0.928 134 K CB -0.161 32.422 32.500 0.139 0.000 0.713 134 K HN 0.179 nan 8.250 nan 0.000 0.442 135 R N 0.582 121.073 120.500 -0.015 0.000 2.115 135 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 135 R C 2.294 178.580 176.300 -0.022 0.000 1.111 135 R CA 1.367 57.458 56.100 -0.014 0.000 0.976 135 R CB -0.160 30.128 30.300 -0.019 0.000 0.870 135 R HN 0.269 nan 8.270 nan 0.000 0.445 136 L N -0.292 120.914 121.223 -0.028 0.000 2.341 136 L HA 0.123 4.463 4.340 -0.000 0.000 0.214 136 L C 0.521 177.354 176.870 -0.061 0.000 1.115 136 L CA 0.739 55.561 54.840 -0.029 0.000 0.820 136 L CB -0.378 41.705 42.059 0.040 0.000 0.944 136 L HN 0.046 nan 8.230 nan 0.000 0.452 137 E N -0.056 120.131 120.200 -0.022 0.000 2.214 137 E HA 0.393 4.743 4.350 -0.000 0.000 0.274 137 E C -1.009 175.562 176.600 -0.050 0.000 0.977 137 E CA -0.729 55.663 56.400 -0.013 0.000 0.827 137 E CB 1.231 30.971 29.700 0.066 0.000 1.130 137 E HN 0.053 nan 8.360 nan 0.000 0.394 138 T N 3.247 117.734 114.554 -0.112 0.000 2.874 138 T HA 0.214 4.563 4.350 -0.000 0.000 0.321 138 T C -0.541 174.029 174.700 -0.218 0.000 1.075 138 T CA -0.712 61.267 62.100 -0.202 0.000 0.966 138 T CB 0.134 68.773 68.868 -0.381 0.000 1.001 138 T HN 0.383 nan 8.240 nan 0.000 0.476 139 N N 2.321 120.914 118.700 -0.178 0.000 2.455 139 N HA 0.085 4.825 4.740 -0.000 0.000 0.280 139 N C 1.188 176.544 175.510 -0.256 0.000 1.055 139 N CA -0.210 52.688 53.050 -0.253 0.000 0.961 139 N CB 1.547 39.762 38.487 -0.454 0.000 1.121 139 N HN 0.703 nan 8.380 nan 0.000 0.476 140 E N 2.320 122.387 120.200 -0.221 0.000 2.130 140 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 140 E C -0.065 176.430 176.600 -0.175 0.000 0.998 140 E CA 1.452 57.751 56.400 -0.170 0.000 0.806 140 E CB 0.212 29.837 29.700 -0.124 0.000 0.738 140 E HN 0.529 nan 8.360 nan 0.000 0.459 141 D N 0.458 120.706 120.400 -0.253 0.000 2.363 141 D HA 0.053 4.693 4.640 -0.000 0.000 0.226 141 D C 0.007 176.226 176.300 -0.135 0.000 1.020 141 D CA 0.603 54.490 54.000 -0.190 0.000 0.892 141 D CB -0.130 40.554 40.800 -0.193 0.000 0.900 141 D HN 0.251 nan 8.370 nan 0.000 0.531 142 A N 0.260 122.982 122.820 -0.163 0.000 2.520 142 A HA 0.503 4.823 4.320 -0.000 0.000 0.235 142 A C 0.980 178.541 177.584 -0.039 0.000 1.065 142 A CA 0.810 52.807 52.037 -0.067 0.000 0.764 142 A CB 0.349 19.308 19.000 -0.068 0.000 1.002 142 A HN 0.267 nan 8.150 nan 0.000 0.502 143 G N 0.742 109.533 108.800 -0.015 0.000 2.313 143 G HA2 0.424 4.384 3.960 -0.000 0.000 0.296 143 G HA3 0.424 4.384 3.960 -0.000 0.000 0.296 143 G C -2.697 172.206 174.900 0.004 0.000 1.356 143 G CA -0.005 45.090 45.100 -0.010 0.000 0.833 143 G HN 0.287 nan 8.290 nan 0.000 0.552 144 P HA 0.032 nan 4.420 nan 0.000 0.220 144 P C 1.177 178.489 177.300 0.020 0.000 1.148 144 P CA 1.736 64.843 63.100 0.013 0.000 0.803 144 P CB 0.078 31.782 31.700 0.008 0.000 0.782 145 D N -0.766 119.645 120.400 0.017 0.000 2.355 145 D HA 0.052 4.692 4.640 -0.000 0.000 0.218 145 D C 0.574 176.901 176.300 0.046 0.000 1.004 145 D CA 0.245 54.260 54.000 0.025 0.000 0.880 145 D CB -0.507 40.302 40.800 0.015 0.000 0.911 145 D HN 0.057 nan 8.370 nan 0.000 0.528 146 A N 0.944 123.794 122.820 0.050 0.000 3.317 146 A HA 0.402 4.722 4.320 -0.000 0.000 0.307 146 A C -1.980 175.617 177.584 0.022 0.000 1.003 146 A CA -0.956 51.133 52.037 0.086 0.000 0.882 146 A CB 0.914 19.972 19.000 0.096 0.000 1.136 146 A HN -0.054 nan 8.150 nan 0.000 0.488 147 P HA -0.183 nan 4.420 nan 0.000 0.230 147 P C 1.076 178.408 177.300 0.054 0.000 1.158 147 P CA 1.161 64.293 63.100 0.053 0.000 0.769 147 P CB -0.290 31.453 31.700 0.072 0.000 0.807 148 H N -2.441 116.609 119.070 -0.033 0.000 2.495 148 H HA -0.015 4.541 4.556 -0.000 0.000 0.287 148 H C 0.490 175.823 175.328 0.009 0.000 1.033 148 H CA 0.517 56.547 56.048 -0.031 0.000 1.307 148 H CB -1.202 28.458 29.762 -0.170 0.000 1.401 148 H HN 0.161 nan 8.280 nan 0.000 0.555 149 H N 1.082 119.805 119.070 -0.579 0.000 2.615 149 H HA 0.313 4.869 4.556 -0.000 0.000 0.363 149 H C 0.502 175.796 175.328 -0.056 0.000 1.148 149 H CA 0.508 56.368 56.048 -0.314 0.000 1.401 149 H CB 1.024 30.538 29.762 -0.412 0.000 1.461 149 H HN 0.448 nan 8.280 nan 0.000 0.588 150 G N 0.586 109.501 108.800 0.192 0.000 2.372 150 G HA2 0.167 4.127 3.960 -0.000 0.000 0.283 150 G HA3 0.167 4.127 3.960 -0.000 0.000 0.283 150 G C 0.254 175.154 174.900 0.000 0.000 1.177 150 G CA -0.550 44.597 45.100 0.078 0.000 0.842 150 G HN 0.696 nan 8.290 nan 0.000 0.503 151 D N -0.383 120.002 120.400 -0.025 0.000 2.433 151 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 151 D C 1.267 177.518 176.300 -0.081 0.000 1.114 151 D CA 0.011 53.971 54.000 -0.067 0.000 0.837 151 D CB 0.830 41.599 40.800 -0.051 0.000 0.984 151 D HN 0.215 nan 8.370 nan 0.000 0.505 152 S N -0.799 114.865 115.700 -0.061 0.000 2.687 152 S HA 0.391 4.861 4.470 -0.000 0.000 0.247 152 S C 0.936 175.502 174.600 -0.056 0.000 1.050 152 S CA -0.190 57.978 58.200 -0.053 0.000 1.063 152 S CB 1.123 64.304 63.200 -0.031 0.000 1.039 152 S HN 0.450 nan 8.310 nan 0.000 0.580 153 G N 2.379 111.139 108.800 -0.067 0.000 2.572 153 G HA2 0.373 4.333 3.960 -0.000 0.000 0.261 153 G HA3 0.373 4.333 3.960 -0.000 0.000 0.261 153 G C -1.914 172.926 174.900 -0.099 0.000 1.197 153 G CA -1.074 43.978 45.100 -0.080 0.000 0.870 153 G HN 0.021 nan 8.290 nan 0.000 0.548 154 P HA -0.019 nan 4.420 nan 0.000 0.219 154 P C 0.507 177.706 177.300 -0.168 0.000 1.150 154 P CA 0.482 63.423 63.100 -0.265 0.000 0.814 154 P CB 0.098 31.413 31.700 -0.642 0.000 0.787 155 V N 1.029 120.843 119.914 -0.166 0.000 2.407 155 V HA 0.166 4.286 4.120 -0.000 0.000 0.278 155 V C 0.037 176.184 176.094 0.089 0.000 1.037 155 V CA -0.559 61.709 62.300 -0.055 0.000 0.900 155 V CB 0.154 31.928 31.823 -0.082 0.000 0.983 155 V HN 0.052 nan 8.190 nan 0.000 0.459 156 H N 4.993 124.006 119.070 -0.096 0.000 2.594 156 H HA 0.567 5.123 4.556 -0.000 0.000 0.304 156 H C -0.299 174.992 175.328 -0.062 0.000 1.068 156 H CA -0.459 55.544 56.048 -0.076 0.000 1.308 156 H CB 0.784 30.504 29.762 -0.070 0.000 1.409 156 H HN 0.507 nan 8.280 nan 0.000 0.460 157 L N 4.610 125.835 121.223 0.002 0.000 2.307 157 L HA 0.540 4.880 4.340 -0.000 0.000 0.284 157 L C 0.128 176.970 176.870 -0.046 0.000 1.023 157 L CA -0.770 54.059 54.840 -0.018 0.000 0.810 157 L CB 1.126 43.168 42.059 -0.028 0.000 1.231 157 L HN 0.514 nan 8.230 nan 0.000 0.423 158 M N 0.783 120.371 119.600 -0.021 0.000 2.662 158 M HA 0.564 5.044 4.480 -0.000 0.000 0.310 158 M C -0.902 175.390 176.300 -0.014 0.000 1.204 158 M CA -0.840 54.442 55.300 -0.029 0.000 0.891 158 M CB 1.665 34.258 32.600 -0.013 0.000 1.732 158 M HN 0.309 nan 8.290 nan 0.000 0.467 159 N N 1.461 120.146 118.700 -0.025 0.000 2.470 159 N HA 0.245 4.985 4.740 -0.000 0.000 0.268 159 N C -0.764 174.739 175.510 -0.011 0.000 1.136 159 N CA -0.278 52.771 53.050 -0.002 0.000 0.961 159 N CB 1.343 39.812 38.487 -0.029 0.000 1.067 159 N HN 0.516 nan 8.380 nan 0.000 0.468 160 V N 4.751 124.686 119.914 0.035 0.000 2.493 160 V HA 0.036 4.156 4.120 -0.000 0.000 0.292 160 V C -1.749 174.244 176.094 -0.169 0.000 1.016 160 V CA -0.944 61.353 62.300 -0.005 0.000 1.097 160 V CB -0.166 31.739 31.823 0.137 0.000 0.947 160 V HN 0.527 nan 8.190 nan 0.000 0.479 161 P HA 0.126 nan 4.420 nan 0.000 0.264 161 P C -2.111 174.847 177.300 -0.569 0.000 1.193 161 P CA -1.212 61.712 63.100 -0.295 0.000 0.763 161 P CB -0.027 31.558 31.700 -0.190 0.000 0.810 162 P HA 0.036 nan 4.420 nan 0.000 0.261 162 P C 0.697 177.666 177.300 -0.552 0.000 1.650 162 P CA 0.306 62.672 63.100 -1.224 0.000 0.846 162 P CB -0.032 31.229 31.700 -0.732 0.000 1.758 163 K N 0.476 120.647 120.400 -0.381 0.000 2.432 163 K HA -0.071 4.249 4.320 -0.000 0.000 0.196 163 K C 0.418 176.975 176.600 -0.072 0.000 1.038 163 K CA 0.241 56.427 56.287 -0.167 0.000 0.986 163 K CB 0.012 32.429 32.500 -0.137 0.000 0.782 163 K HN 0.033 nan 8.250 nan 0.000 0.485 164 D N 0.881 121.275 120.400 -0.010 0.000 2.380 164 D HA 0.066 4.706 4.640 -0.000 0.000 0.230 164 D C -1.697 174.579 176.300 -0.040 0.000 1.154 164 D CA -2.636 51.381 54.000 0.028 0.000 0.859 164 D CB 1.473 42.357 40.800 0.140 0.000 1.045 164 D HN -0.041 nan 8.370 nan 0.000 0.495 165 P HA -0.184 nan 4.420 nan 0.000 0.216 165 P C 1.112 178.141 177.300 -0.451 0.000 1.153 165 P CA 1.357 64.377 63.100 -0.133 0.000 0.858 165 P CB 0.072 31.803 31.700 0.051 0.000 0.789 166 T N -0.796 113.203 114.554 -0.925 0.000 2.788 166 T HA -0.060 4.289 4.350 -0.000 0.000 0.268 166 T C 2.186 176.371 174.700 -0.857 0.000 1.044 166 T CA 1.659 62.972 62.100 -1.312 0.000 1.139 166 T CB -1.229 66.886 68.868 -1.254 0.000 0.867 166 T HN 0.215 nan 8.240 nan 0.000 0.454 167 G N 1.398 109.854 108.800 -0.573 0.000 2.404 167 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 167 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 167 G C 1.691 176.288 174.900 -0.505 0.000 1.174 167 G CA 0.868 45.572 45.100 -0.661 0.000 0.780 167 G HN 0.436 nan 8.290 nan 0.000 0.537 168 V N 1.876 121.691 119.914 -0.164 0.000 2.233 168 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 168 V C 3.361 179.346 176.094 -0.182 0.000 1.050 168 V CA 2.189 64.445 62.300 -0.074 0.000 1.010 168 V CB -1.201 30.634 31.823 0.020 0.000 0.637 168 V HN 0.464 nan 8.190 nan 0.000 0.444 169 A N -0.355 122.341 122.820 -0.206 0.000 1.986 169 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 169 A C 2.200 179.640 177.584 -0.240 0.000 1.171 169 A CA 2.279 54.219 52.037 -0.161 0.000 0.640 169 A CB -0.575 18.382 19.000 -0.071 0.000 0.811 169 A HN 0.523 nan 8.150 nan 0.000 0.451 170 L N -1.388 119.591 121.223 -0.406 0.000 2.109 170 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 170 L C 2.034 178.702 176.870 -0.337 0.000 1.086 170 L CA 1.196 55.772 54.840 -0.440 0.000 0.760 170 L CB -0.219 41.405 42.059 -0.725 0.000 0.910 170 L HN 0.225 nan 8.230 nan 0.000 0.437 171 L N -0.311 120.703 121.223 -0.349 0.000 2.072 171 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 171 L C 2.230 179.000 176.870 -0.166 0.000 1.079 171 L CA 1.460 56.142 54.840 -0.264 0.000 0.752 171 L CB -1.345 40.544 42.059 -0.283 0.000 0.906 171 L HN 0.299 nan 8.230 nan 0.000 0.436 172 D N -0.163 120.152 120.400 -0.142 0.000 2.104 172 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 172 D C 2.144 178.393 176.300 -0.086 0.000 0.994 172 D CA 1.629 55.574 54.000 -0.092 0.000 0.830 172 D CB -0.015 40.745 40.800 -0.067 0.000 0.959 172 D HN 0.310 nan 8.370 nan 0.000 0.452 173 A N 0.168 122.924 122.820 -0.106 0.000 2.070 173 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 173 A C 2.491 180.025 177.584 -0.082 0.000 1.159 173 A CA 0.958 52.942 52.037 -0.089 0.000 0.656 173 A CB -0.726 18.210 19.000 -0.106 0.000 0.800 173 A HN 0.330 nan 8.150 nan 0.000 0.453 174 C N -0.983 118.256 119.300 -0.103 0.000 2.466 174 C HA -0.037 4.423 4.460 -0.000 0.000 0.278 174 C C 2.590 177.548 174.990 -0.054 0.000 1.288 174 C CA 1.040 60.010 59.018 -0.081 0.000 1.722 174 C CB -1.088 26.589 27.740 -0.104 0.000 2.017 174 C HN 0.713 nan 8.230 nan 0.000 0.488 175 E N 0.489 120.655 120.200 -0.057 0.000 2.058 175 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 175 E C 2.182 178.764 176.600 -0.030 0.000 0.997 175 E CA 1.396 57.772 56.400 -0.040 0.000 0.801 175 E CB -0.207 29.469 29.700 -0.041 0.000 0.746 175 E HN 0.649 nan 8.360 nan 0.000 0.450 176 Q N -0.382 119.398 119.800 -0.033 0.000 2.181 176 Q HA -0.120 4.220 4.340 -0.000 0.000 0.205 176 Q C 1.760 177.750 176.000 -0.016 0.000 0.980 176 Q CA 1.331 57.120 55.803 -0.023 0.000 0.862 176 Q CB -0.022 28.701 28.738 -0.024 0.000 0.905 176 Q HN 0.238 nan 8.270 nan 0.000 0.429 177 A N -0.398 122.411 122.820 -0.018 0.000 2.275 177 A HA 0.366 4.686 4.320 -0.000 0.000 0.212 177 A C 1.217 178.800 177.584 -0.003 0.000 1.201 177 A CA 0.572 52.604 52.037 -0.008 0.000 0.843 177 A CB -0.084 18.911 19.000 -0.008 0.000 0.873 177 A HN 0.393 nan 8.150 nan 0.000 0.492 178 G N -0.573 108.223 108.800 -0.007 0.000 2.204 178 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 178 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 178 G C -0.175 174.728 174.900 0.004 0.000 1.062 178 G CA 0.227 45.327 45.100 -0.001 0.000 0.798 178 G HN 0.492 nan 8.290 nan 0.000 0.496 179 I N 1.328 121.897 120.570 -0.002 0.000 2.420 179 I HA 0.330 4.500 4.170 -0.000 0.000 0.282 179 I C -2.171 173.940 176.117 -0.010 0.000 1.019 179 I CA -2.492 58.811 61.300 0.005 0.000 1.130 179 I CB 2.294 40.298 38.000 0.005 0.000 1.262 179 I HN -0.093 nan 8.210 nan 0.000 0.454 180 P HA 0.266 nan 4.420 nan 0.000 0.276 180 P C -0.615 176.661 177.300 -0.039 0.000 1.252 180 P CA -0.735 62.352 63.100 -0.022 0.000 0.802 180 P CB 0.608 32.299 31.700 -0.014 0.000 1.035 181 R N 0.541 121.004 120.500 -0.061 0.000 2.421 181 R HA 0.451 4.790 4.340 -0.000 0.000 0.305 181 R C 0.152 176.390 176.300 -0.103 0.000 1.039 181 R CA 0.212 56.255 56.100 -0.095 0.000 1.003 181 R CB -0.167 30.079 30.300 -0.089 0.000 0.959 181 R HN 0.551 nan 8.270 nan 0.000 0.427 182 A N 3.388 126.112 122.820 -0.161 0.000 2.346 182 A HA 0.506 4.826 4.320 -0.000 0.000 0.313 182 A C -0.859 176.512 177.584 -0.356 0.000 1.140 182 A CA -0.685 51.250 52.037 -0.171 0.000 0.826 182 A CB 1.369 20.334 19.000 -0.058 0.000 1.332 182 A HN 0.519 nan 8.150 nan 0.000 0.457 183 K N 0.897 121.154 120.400 -0.239 0.000 2.244 183 K HA 0.518 4.838 4.320 -0.000 0.000 0.260 183 K C -1.580 174.974 176.600 -0.076 0.000 0.951 183 K CA -0.174 55.980 56.287 -0.222 0.000 0.826 183 K CB 0.856 33.309 32.500 -0.079 0.000 1.108 183 K HN 0.622 nan 8.250 nan 0.000 0.433 184 F N 2.431 122.440 119.950 0.099 0.000 2.375 184 F HA 0.147 4.673 4.527 -0.000 0.000 0.333 184 F C 1.152 176.970 175.800 0.030 0.000 1.104 184 F CA -0.638 57.437 58.000 0.125 0.000 1.149 184 F CB 0.752 39.817 39.000 0.109 0.000 1.190 184 F HN 0.664 nan 8.300 nan 0.000 0.533 185 N N 0.119 118.960 118.700 0.235 0.000 2.776 185 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 185 N C 0.940 176.282 175.510 -0.280 0.000 1.111 185 N CA 1.109 54.077 53.050 -0.137 0.000 0.711 185 N CB -1.622 36.801 38.487 -0.107 0.000 1.065 185 N HN 0.844 nan 8.380 nan 0.000 0.556 186 T N -4.601 109.848 114.554 -0.174 0.000 3.067 186 T HA 0.319 4.669 4.350 -0.000 0.000 0.261 186 T C 1.619 175.893 174.700 -0.709 0.000 1.110 186 T CA 1.634 63.579 62.100 -0.257 0.000 1.113 186 T CB 0.496 69.299 68.868 -0.109 0.000 0.917 186 T HN 0.781 nan 8.240 nan 0.000 0.499 187 G N 0.437 108.895 108.800 -0.570 0.000 2.259 187 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 187 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 187 G C 0.247 175.164 174.900 0.028 0.000 1.001 187 G CA -0.027 44.925 45.100 -0.246 0.000 0.627 187 G HN 0.704 nan 8.290 nan 0.000 0.501 188 T N 2.829 117.356 114.554 -0.045 0.000 2.758 188 T HA 0.552 4.901 4.350 -0.000 0.000 0.285 188 T C 0.307 175.022 174.700 0.024 0.000 0.981 188 T CA 0.208 62.308 62.100 0.000 0.000 0.965 188 T CB 1.560 70.414 68.868 -0.023 0.000 0.927 188 T HN 0.251 nan 8.240 nan 0.000 0.448 189 T N 3.429 117.998 114.554 0.025 0.000 2.908 189 T HA 0.130 4.480 4.350 -0.000 0.000 0.301 189 T C 0.484 175.165 174.700 -0.032 0.000 1.019 189 T CA -0.130 61.963 62.100 -0.011 0.000 1.152 189 T CB 0.159 69.016 68.868 -0.017 0.000 0.966 189 T HN 0.311 nan 8.240 nan 0.000 0.540 190 V N 5.821 125.688 119.914 -0.078 0.000 2.406 190 V HA 0.131 4.251 4.120 -0.000 0.000 0.272 190 V C 1.064 177.097 176.094 -0.102 0.000 1.043 190 V CA -0.156 62.127 62.300 -0.030 0.000 0.915 190 V CB 1.274 33.163 31.823 0.110 0.000 0.988 190 V HN 0.837 nan 8.190 nan 0.000 0.466 191 V N 3.533 123.442 119.914 -0.008 0.000 2.690 191 V HA 0.165 4.285 4.120 -0.000 0.000 0.240 191 V C 0.757 176.908 176.094 0.095 0.000 1.078 191 V CA 0.593 62.903 62.300 0.016 0.000 1.102 191 V CB -0.077 31.754 31.823 0.015 0.000 0.800 191 V HN 0.836 nan 8.190 nan 0.000 0.479 192 N N 0.519 119.274 118.700 0.092 0.000 2.569 192 N HA 0.576 5.316 4.740 -0.000 0.000 0.254 192 N C -0.455 175.124 175.510 0.115 0.000 1.004 192 N CA 0.653 53.768 53.050 0.107 0.000 0.904 192 N CB 1.249 39.775 38.487 0.065 0.000 1.165 192 N HN 0.499 nan 8.380 nan 0.000 0.513 193 G N 0.570 109.474 108.800 0.172 0.000 2.340 193 G HA2 0.641 4.601 3.960 -0.000 0.000 0.298 193 G HA3 0.641 4.601 3.960 -0.000 0.000 0.298 193 G C -2.009 173.018 174.900 0.212 0.000 1.498 193 G CA -0.152 45.037 45.100 0.148 0.000 0.847 193 G HN 0.646 nan 8.290 nan 0.000 0.594 194 A N 0.431 123.292 122.820 0.069 0.000 2.587 194 A HA 0.945 5.265 4.320 -0.000 0.000 0.293 194 A C -0.829 176.649 177.584 -0.177 0.000 1.087 194 A CA -0.622 51.422 52.037 0.011 0.000 0.692 194 A CB 2.398 21.352 19.000 -0.077 0.000 1.291 194 A HN 1.497 nan 8.150 nan 0.000 0.407 195 N N -0.963 117.608 118.700 -0.214 0.000 3.533 195 N HA 0.342 5.081 4.740 -0.000 0.000 0.229 195 N C -1.226 174.117 175.510 -0.278 0.000 1.418 195 N CA -0.675 52.184 53.050 -0.318 0.000 0.880 195 N CB 0.305 38.511 38.487 -0.468 0.000 1.415 195 N HN 0.434 nan 8.380 nan 0.000 0.491 196 F N 1.120 120.967 119.950 -0.173 0.000 2.647 196 F HA 0.061 4.587 4.527 -0.000 0.000 0.363 196 F C 1.097 176.921 175.800 0.041 0.000 1.130 196 F CA 0.722 58.654 58.000 -0.113 0.000 1.351 196 F CB 0.197 39.161 39.000 -0.062 0.000 1.026 196 F HN 0.218 nan 8.300 nan 0.000 0.607 197 F N 0.947 121.141 119.950 0.405 0.000 2.370 197 F HA 0.227 4.754 4.527 -0.000 0.000 0.324 197 F C 0.573 176.473 175.800 0.166 0.000 1.116 197 F CA -0.841 57.333 58.000 0.290 0.000 1.123 197 F CB 0.583 39.669 39.000 0.143 0.000 1.238 197 F HN 0.312 nan 8.300 nan 0.000 0.536 198 Q N 2.928 122.904 119.800 0.294 0.000 2.288 198 Q HA 0.483 4.823 4.340 -0.000 0.000 0.254 198 Q C -0.570 175.437 176.000 0.011 0.000 0.932 198 Q CA -0.361 55.494 55.803 0.087 0.000 0.902 198 Q CB 1.872 30.607 28.738 -0.005 0.000 1.203 198 Q HN 0.528 nan 8.270 nan 0.000 0.415 199 I N -0.272 120.308 120.570 0.018 0.000 2.934 199 I HA 0.430 4.600 4.170 -0.000 0.000 0.306 199 I C -0.564 175.545 176.117 -0.013 0.000 1.110 199 I CA -1.215 60.078 61.300 -0.012 0.000 1.019 199 I CB 2.182 40.199 38.000 0.028 0.000 1.227 199 I HN 0.483 nan 8.210 nan 0.000 0.434 200 N N 4.084 122.771 118.700 -0.021 0.000 3.234 200 N HA 0.295 5.035 4.740 -0.000 0.000 0.272 200 N C -0.855 174.654 175.510 -0.002 0.000 1.254 200 N CA -0.476 52.572 53.050 -0.003 0.000 1.087 200 N CB 0.839 39.324 38.487 -0.003 0.000 1.356 200 N HN 0.712 nan 8.380 nan 0.000 0.511 201 R N 0.887 121.393 120.500 0.011 0.000 2.740 201 R HA 0.429 4.769 4.340 -0.000 0.000 0.282 201 R C -0.244 176.068 176.300 0.020 0.000 0.969 201 R CA -0.667 55.436 56.100 0.005 0.000 0.918 201 R CB 2.215 32.519 30.300 0.007 0.000 1.175 201 R HN 0.313 nan 8.270 nan 0.000 0.464 202 R N 0.611 121.100 120.500 -0.019 0.000 2.583 202 R HA 0.261 4.601 4.340 -0.000 0.000 0.268 202 R C 1.111 177.415 176.300 0.008 0.000 1.101 202 R CA 0.246 56.331 56.100 -0.024 0.000 1.180 202 R CB 0.628 30.846 30.300 -0.137 0.000 1.128 202 R HN 0.784 nan 8.270 nan 0.000 0.568 203 A N 1.274 124.110 122.820 0.027 0.000 1.948 203 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 203 A C 1.371 178.955 177.584 -0.001 0.000 1.177 203 A CA 2.111 54.157 52.037 0.015 0.000 0.636 203 A CB -0.534 18.479 19.000 0.022 0.000 0.815 203 A HN 0.886 nan 8.150 nan 0.000 0.449 204 D N -1.808 118.587 120.400 -0.009 0.000 2.324 204 D HA 0.234 4.874 4.640 -0.000 0.000 0.235 204 D C 1.117 177.415 176.300 -0.004 0.000 1.095 204 D CA 0.970 54.965 54.000 -0.007 0.000 0.871 204 D CB -0.553 40.241 40.800 -0.010 0.000 0.906 204 D HN 0.822 nan 8.370 nan 0.000 0.522 205 G N -0.105 108.692 108.800 -0.005 0.000 2.176 205 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.253 205 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.253 205 G C 0.379 175.283 174.900 0.008 0.000 0.979 205 G CA 0.381 45.483 45.100 0.003 0.000 0.641 205 G HN 0.456 nan 8.290 nan 0.000 0.530 206 T N 1.797 116.346 114.554 -0.008 0.000 2.832 206 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 206 T C 0.916 175.600 174.700 -0.027 0.000 0.968 206 T CA -0.059 62.033 62.100 -0.013 0.000 1.107 206 T CB 0.627 69.480 68.868 -0.026 0.000 0.916 206 T HN 0.728 nan 8.240 nan 0.000 0.517 207 R N 1.874 122.365 120.500 -0.014 0.000 2.537 207 R HA 0.288 4.628 4.340 -0.000 0.000 0.280 207 R C -0.299 175.967 176.300 -0.057 0.000 1.058 207 R CA -0.364 55.723 56.100 -0.021 0.000 1.057 207 R CB 0.068 30.367 30.300 -0.001 0.000 0.973 207 R HN 0.368 nan 8.270 nan 0.000 0.438 208 S N 2.423 118.089 115.700 -0.057 0.000 4.120 208 S HA 0.031 4.501 4.470 -0.000 0.000 0.196 208 S C 0.211 174.775 174.600 -0.059 0.000 1.447 208 S CA -0.471 57.678 58.200 -0.085 0.000 0.939 208 S CB -0.418 62.749 63.200 -0.055 0.000 1.496 208 S HN 0.746 nan 8.310 nan 0.000 0.460 209 S N 1.662 117.324 115.700 -0.064 0.000 2.606 209 S HA 0.135 4.605 4.470 -0.000 0.000 0.257 209 S C 1.588 176.183 174.600 -0.009 0.000 1.327 209 S CA -0.194 57.990 58.200 -0.027 0.000 0.984 209 S CB 0.483 63.665 63.200 -0.029 0.000 0.941 209 S HN 0.577 nan 8.310 nan 0.000 0.576 210 S N 0.289 116.028 115.700 0.065 0.000 2.447 210 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 210 S C 1.783 176.456 174.600 0.121 0.000 1.006 210 S CA 0.851 59.168 58.200 0.195 0.000 0.957 210 S CB -1.095 62.195 63.200 0.150 0.000 0.773 210 S HN 0.882 nan 8.310 nan 0.000 0.507 211 S N 1.579 117.271 115.700 -0.014 0.000 2.371 211 S HA 0.067 4.537 4.470 -0.000 0.000 0.221 211 S C 1.834 176.159 174.600 -0.459 0.000 1.036 211 S CA 0.743 58.894 58.200 -0.082 0.000 0.965 211 S CB -0.971 62.231 63.200 0.003 0.000 0.845 211 S HN 0.340 nan 8.310 nan 0.000 0.475 212 V N 2.453 121.995 119.914 -0.621 0.000 2.343 212 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 212 V C 2.754 178.597 176.094 -0.418 0.000 1.051 212 V CA 2.185 63.990 62.300 -0.825 0.000 1.036 212 V CB -0.957 30.619 31.823 -0.413 0.000 0.654 212 V HN 0.555 nan 8.190 nan 0.000 0.451 213 S N -1.644 113.899 115.700 -0.261 0.000 2.371 213 S HA -0.045 4.425 4.470 -0.000 0.000 0.221 213 S C 1.819 176.271 174.600 -0.245 0.000 1.036 213 S CA 1.153 59.197 58.200 -0.260 0.000 0.965 213 S CB -0.285 62.725 63.200 -0.317 0.000 0.845 213 S HN 0.626 nan 8.310 nan 0.000 0.475 214 Y N 0.172 120.398 120.300 -0.123 0.000 2.476 214 Y HA 0.284 4.834 4.550 -0.000 0.000 0.283 214 Y C 1.899 177.718 175.900 -0.136 0.000 1.109 214 Y CA 0.135 58.166 58.100 -0.114 0.000 1.246 214 Y CB 0.180 38.577 38.460 -0.105 0.000 1.068 214 Y HN 0.181 nan 8.280 nan 0.000 0.552 215 I N -1.237 119.366 120.570 0.056 0.000 3.039 215 I HA -0.086 4.084 4.170 -0.000 0.000 0.270 215 I C 1.962 178.170 176.117 0.151 0.000 1.150 215 I CA 0.974 62.303 61.300 0.048 0.000 1.448 215 I CB -1.361 36.725 38.000 0.143 0.000 1.197 215 I HN 0.291 nan 8.210 nan 0.000 0.450 216 H N 1.737 120.802 119.070 -0.008 0.000 2.289 216 H HA -0.139 4.417 4.556 -0.000 0.000 0.294 216 H C -0.604 174.718 175.328 -0.010 0.000 1.095 216 H CA 1.556 57.599 56.048 -0.007 0.000 1.256 216 H CB -1.328 28.422 29.762 -0.020 0.000 1.359 216 H HN 0.294 nan 8.280 nan 0.000 0.487 217 P HA -0.042 nan 4.420 nan 0.000 0.233 217 P C 0.989 178.300 177.300 0.019 0.000 1.167 217 P CA 1.003 64.126 63.100 0.039 0.000 0.770 217 P CB -0.260 31.443 31.700 0.004 0.000 0.837 218 I N -5.892 114.670 120.570 -0.012 0.000 3.941 218 I HA 0.141 4.311 4.170 -0.000 0.000 0.335 218 I C 1.187 177.354 176.117 0.085 0.000 1.402 218 I CA -0.120 61.152 61.300 -0.046 0.000 1.112 218 I CB -0.212 37.653 38.000 -0.226 0.000 1.043 218 I HN -0.346 nan 8.210 nan 0.000 0.395 219 V N 1.642 121.650 119.914 0.157 0.000 2.407 219 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 219 V C 2.028 178.281 176.094 0.264 0.000 1.055 219 V CA 1.784 64.257 62.300 0.289 0.000 1.049 219 V CB -0.590 31.334 31.823 0.168 0.000 0.662 219 V HN 0.528 nan 8.190 nan 0.000 0.455 220 E N -0.015 120.285 120.200 0.166 0.000 2.419 220 E HA 0.088 4.438 4.350 -0.000 0.000 0.190 220 E C 0.762 177.443 176.600 0.135 0.000 1.040 220 E CA -0.169 56.311 56.400 0.133 0.000 0.900 220 E CB 0.079 29.831 29.700 0.086 0.000 1.054 220 E HN 0.693 nan 8.360 nan 0.000 0.462 221 Q N 1.242 121.149 119.800 0.178 0.000 2.364 221 Q HA -0.042 4.298 4.340 -0.000 0.000 0.267 221 Q C 0.948 177.051 176.000 0.172 0.000 0.999 221 Q CA 0.008 55.904 55.803 0.154 0.000 0.886 221 Q CB 0.968 29.785 28.738 0.133 0.000 1.243 221 Q HN -0.155 nan 8.270 nan 0.000 0.415 222 E N 2.484 122.758 120.200 0.123 0.000 2.130 222 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 222 E C 0.846 177.524 176.600 0.130 0.000 0.998 222 E CA 2.126 58.590 56.400 0.107 0.000 0.806 222 E CB 0.073 29.820 29.700 0.078 0.000 0.738 222 E HN 0.783 nan 8.360 nan 0.000 0.459 223 N N -0.617 118.181 118.700 0.163 0.000 2.235 223 N HA -0.012 4.728 4.740 -0.000 0.000 0.209 223 N C -0.655 175.017 175.510 0.269 0.000 1.122 223 N CA -0.199 52.963 53.050 0.186 0.000 0.845 223 N CB -0.126 38.458 38.487 0.161 0.000 1.004 223 N HN 0.074 nan 8.380 nan 0.000 0.499 224 F N 1.308 121.314 119.950 0.093 0.000 2.493 224 F HA 0.554 5.081 4.527 -0.000 0.000 0.329 224 F C -0.971 174.879 175.800 0.082 0.000 1.126 224 F CA -0.607 57.439 58.000 0.077 0.000 0.937 224 F CB 1.823 40.855 39.000 0.054 0.000 1.146 224 F HN -0.186 nan 8.300 nan 0.000 0.442 225 T N 7.830 121.966 114.554 -0.697 0.000 2.833 225 T HA 0.404 4.754 4.350 -0.000 0.000 0.297 225 T C -1.080 173.102 174.700 -0.863 0.000 1.015 225 T CA -0.405 61.355 62.100 -0.566 0.000 0.963 225 T CB 0.999 69.778 68.868 -0.148 0.000 0.955 225 T HN 0.568 nan 8.240 nan 0.000 0.449 226 L N 5.178 126.013 121.223 -0.647 0.000 2.264 226 L HA 0.591 4.930 4.340 -0.000 0.000 0.289 226 L C -1.204 175.639 176.870 -0.045 0.000 1.044 226 L CA -0.380 54.248 54.840 -0.353 0.000 0.807 226 L CB 0.282 42.285 42.059 -0.094 0.000 1.192 226 L HN 0.596 nan 8.230 nan 0.000 0.425 227 L N 5.490 126.679 121.223 -0.057 0.000 2.319 227 L HA 0.594 4.934 4.340 -0.000 0.000 0.281 227 L C 0.099 177.008 176.870 0.066 0.000 1.005 227 L CA -0.442 54.404 54.840 0.010 0.000 0.828 227 L CB 1.745 43.769 42.059 -0.057 0.000 1.227 227 L HN 0.735 nan 8.230 nan 0.000 0.415 228 T N -1.608 113.026 114.554 0.134 0.000 2.942 228 T HA 0.654 5.004 4.350 -0.000 0.000 0.289 228 T C 0.861 175.616 174.700 0.092 0.000 1.044 228 T CA -0.044 62.134 62.100 0.130 0.000 1.023 228 T CB 1.891 70.876 68.868 0.194 0.000 1.123 228 T HN 0.852 nan 8.240 nan 0.000 0.512 229 G N 0.493 109.336 108.800 0.072 0.000 2.153 229 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.252 229 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.252 229 G C -0.182 174.746 174.900 0.047 0.000 0.994 229 G CA 0.293 45.421 45.100 0.046 0.000 0.698 229 G HN 0.882 nan 8.290 nan 0.000 0.521 230 L N -0.056 121.202 121.223 0.058 0.000 2.349 230 L HA 0.594 4.934 4.340 -0.000 0.000 0.278 230 L C 0.499 177.411 176.870 0.071 0.000 0.996 230 L CA -0.881 53.993 54.840 0.057 0.000 0.825 230 L CB 1.884 43.967 42.059 0.039 0.000 1.243 230 L HN 0.163 nan 8.230 nan 0.000 0.412 231 R N 2.402 122.944 120.500 0.070 0.000 2.445 231 R HA 0.742 5.082 4.340 -0.000 0.000 0.308 231 R C -0.648 175.645 176.300 -0.012 0.000 0.961 231 R CA -0.452 55.707 56.100 0.099 0.000 0.862 231 R CB 1.985 32.396 30.300 0.185 0.000 1.144 231 R HN 0.719 nan 8.270 nan 0.000 0.447 232 A N 3.360 126.169 122.820 -0.019 0.000 2.327 232 A HA 0.295 4.615 4.320 -0.000 0.000 0.283 232 A C 0.642 178.108 177.584 -0.197 0.000 1.127 232 A CA -0.590 51.388 52.037 -0.098 0.000 0.810 232 A CB 0.568 19.534 19.000 -0.057 0.000 1.066 232 A HN 1.023 nan 8.150 nan 0.000 0.492 233 R N 0.364 120.685 120.500 -0.299 0.000 2.513 233 R HA 0.352 4.692 4.340 -0.000 0.000 0.245 233 R C 0.152 176.337 176.300 -0.191 0.000 0.908 233 R CA 0.025 55.868 56.100 -0.427 0.000 1.023 233 R CB 0.547 30.289 30.300 -0.931 0.000 1.338 233 R HN 0.656 nan 8.270 nan 0.000 0.575 234 Q N 0.805 120.524 119.800 -0.135 0.000 2.545 234 Q HA 0.378 4.718 4.340 -0.000 0.000 0.273 234 Q C -1.897 174.065 176.000 -0.063 0.000 0.975 234 Q CA -0.633 55.132 55.803 -0.063 0.000 0.876 234 Q CB 2.446 31.153 28.738 -0.052 0.000 1.472 234 Q HN 0.136 nan 8.270 nan 0.000 0.389 235 L N 2.215 123.421 121.223 -0.027 0.000 2.325 235 L HA 0.649 4.989 4.340 -0.000 0.000 0.279 235 L C -0.493 176.270 176.870 -0.178 0.000 1.054 235 L CA -0.850 53.916 54.840 -0.125 0.000 0.804 235 L CB 1.635 43.641 42.059 -0.088 0.000 1.200 235 L HN 0.321 nan 8.230 nan 0.000 0.436 236 V N 2.550 122.250 119.914 -0.356 0.000 2.547 236 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 236 V C -0.640 175.131 176.094 -0.537 0.000 1.040 236 V CA -0.501 61.645 62.300 -0.256 0.000 0.913 236 V CB 1.692 33.444 31.823 -0.118 0.000 0.992 236 V HN 0.378 nan 8.190 nan 0.000 0.449 237 F N 0.898 120.843 119.950 -0.007 0.000 2.529 237 F HA 0.462 4.989 4.527 -0.000 0.000 0.320 237 F C 0.438 176.235 175.800 -0.005 0.000 1.118 237 F CA -0.867 57.129 58.000 -0.006 0.000 0.915 237 F CB 1.418 40.414 39.000 -0.006 0.000 1.161 237 F HN 0.416 nan 8.300 nan 0.000 0.445 238 D N 1.001 121.495 120.400 0.157 0.000 2.341 238 D HA 0.087 4.727 4.640 -0.000 0.000 0.233 238 D C 1.043 177.403 176.300 0.099 0.000 1.270 238 D CA 0.623 54.682 54.000 0.098 0.000 0.883 238 D CB 0.794 41.642 40.800 0.080 0.000 1.207 238 D HN 0.639 nan 8.370 nan 0.000 0.471 239 A N 1.011 123.866 122.820 0.058 0.000 2.067 239 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 239 A C 1.428 179.033 177.584 0.036 0.000 1.156 239 A CA 0.902 52.963 52.037 0.041 0.000 0.683 239 A CB -0.083 18.933 19.000 0.026 0.000 0.808 239 A HN 0.524 nan 8.150 nan 0.000 0.455 240 D N -0.543 119.882 120.400 0.042 0.000 2.371 240 D HA -0.049 4.590 4.640 -0.000 0.000 0.221 240 D C 0.150 176.480 176.300 0.051 0.000 0.986 240 D CA 0.268 54.291 54.000 0.038 0.000 0.899 240 D CB -0.133 40.688 40.800 0.036 0.000 0.902 240 D HN 0.332 nan 8.370 nan 0.000 0.530 241 R N 0.500 121.045 120.500 0.075 0.000 3.525 241 R HA -0.181 4.159 4.340 -0.000 0.000 0.276 241 R C 0.204 176.610 176.300 0.177 0.000 1.116 241 R CA 0.295 56.454 56.100 0.098 0.000 0.745 241 R CB -1.535 28.766 30.300 0.001 0.000 1.185 241 R HN 0.255 nan 8.270 nan 0.000 0.454 242 R N 0.205 120.812 120.500 0.178 0.000 2.457 242 R HA 0.267 4.607 4.340 -0.000 0.000 0.284 242 R C -0.228 176.190 176.300 0.197 0.000 1.024 242 R CA -0.307 55.892 56.100 0.166 0.000 1.025 242 R CB 1.186 31.530 30.300 0.073 0.000 1.063 242 R HN 0.270 nan 8.270 nan 0.000 0.493 243 C N 3.939 123.290 119.300 0.085 0.000 2.325 243 C HA 0.318 4.778 4.460 -0.000 0.000 0.347 243 C C 1.680 176.534 174.990 -0.227 0.000 1.263 243 C CA -0.066 58.752 59.018 -0.332 0.000 1.806 243 C CB -0.006 27.502 27.740 -0.387 0.000 2.405 243 C HN 0.974 nan 8.230 nan 0.000 0.537 244 T N 2.339 116.737 114.554 -0.259 0.000 2.990 244 T HA 0.538 4.888 4.350 -0.000 0.000 0.250 244 T C 0.875 175.498 174.700 -0.128 0.000 1.041 244 T CA 0.784 62.800 62.100 -0.140 0.000 1.010 244 T CB 0.238 69.051 68.868 -0.091 0.000 1.003 244 T HN 1.557 nan 8.240 nan 0.000 0.499 245 G N 0.347 109.034 108.800 -0.189 0.000 2.534 245 G HA2 0.378 4.338 3.960 -0.000 0.000 0.142 245 G HA3 0.378 4.338 3.960 -0.000 0.000 0.142 245 G C -1.752 173.060 174.900 -0.147 0.000 1.178 245 G CA -0.001 45.023 45.100 -0.127 0.000 1.037 245 G HN 0.861 nan 8.290 nan 0.000 0.474 246 V N 0.633 120.497 119.914 -0.084 0.000 3.012 246 V HA 0.652 4.772 4.120 -0.000 0.000 0.307 246 V C -1.775 174.286 176.094 -0.054 0.000 1.166 246 V CA -0.783 61.468 62.300 -0.082 0.000 0.974 246 V CB 2.205 33.984 31.823 -0.073 0.000 1.040 246 V HN 0.714 nan 8.190 nan 0.000 0.428 247 D N 5.445 125.802 120.400 -0.073 0.000 2.232 247 D HA 0.565 5.205 4.640 -0.000 0.000 0.242 247 D C -0.094 176.147 176.300 -0.099 0.000 1.093 247 D CA 0.312 54.270 54.000 -0.071 0.000 0.845 247 D CB 1.515 42.259 40.800 -0.093 0.000 1.124 247 D HN 0.694 nan 8.370 nan 0.000 0.467 248 I N -1.303 119.238 120.570 -0.049 0.000 2.957 248 I HA 0.714 4.883 4.170 -0.000 0.000 0.310 248 I C -0.294 175.805 176.117 -0.030 0.000 1.063 248 I CA -1.339 59.932 61.300 -0.047 0.000 1.033 248 I CB 2.093 40.103 38.000 0.016 0.000 1.230 248 I HN 0.071 nan 8.210 nan 0.000 0.447 249 V N 0.101 119.994 119.914 -0.034 0.000 2.735 249 V HA 0.465 4.585 4.120 -0.000 0.000 0.310 249 V C 0.066 176.205 176.094 0.076 0.000 1.061 249 V CA -0.527 61.787 62.300 0.024 0.000 0.913 249 V CB 1.750 33.572 31.823 -0.002 0.000 1.005 249 V HN 0.887 nan 8.190 nan 0.000 0.428 250 D N 2.696 123.162 120.400 0.109 0.000 2.312 250 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 250 D C 0.789 177.115 176.300 0.044 0.000 0.964 250 D CA 1.337 55.389 54.000 0.087 0.000 0.877 250 D CB 0.158 41.028 40.800 0.117 0.000 0.924 250 D HN 0.980 nan 8.370 nan 0.000 0.515 251 S N -1.973 113.744 115.700 0.029 0.000 2.578 251 S HA 0.548 5.018 4.470 -0.000 0.000 0.272 251 S C 0.686 175.249 174.600 -0.060 0.000 1.145 251 S CA -0.405 57.788 58.200 -0.012 0.000 0.835 251 S CB 1.607 64.801 63.200 -0.009 0.000 1.104 251 S HN -0.002 nan 8.310 nan 0.000 0.458 252 A N 0.544 123.231 122.820 -0.223 0.000 2.009 252 A HA 0.076 4.396 4.320 -0.000 0.000 0.222 252 A C 0.464 177.526 177.584 -0.871 0.000 1.175 252 A CA 1.526 53.216 52.037 -0.578 0.000 0.651 252 A CB -0.961 17.477 19.000 -0.936 0.000 0.815 252 A HN 0.986 nan 8.150 nan 0.000 0.459 253 F N -1.095 118.879 119.950 0.040 0.000 2.660 253 F HA 0.602 5.129 4.527 -0.000 0.000 0.352 253 F C 0.612 176.388 175.800 -0.041 0.000 1.257 253 F CA -0.214 57.793 58.000 0.013 0.000 1.200 253 F CB 0.823 39.811 39.000 -0.019 0.000 1.473 253 F HN 0.177 nan 8.300 nan 0.000 0.561 254 G N -0.226 108.590 108.800 0.027 0.000 3.015 254 G HA2 0.431 4.391 3.960 -0.000 0.000 0.281 254 G HA3 0.431 4.391 3.960 -0.000 0.000 0.281 254 G C -1.106 173.678 174.900 -0.193 0.000 1.386 254 G CA -0.778 44.234 45.100 -0.147 0.000 0.959 254 G HN 0.346 nan 8.290 nan 0.000 0.522 255 H N -0.419 118.661 119.070 0.017 0.000 2.679 255 H HA 0.321 4.877 4.556 -0.000 0.000 0.369 255 H C 0.045 175.223 175.328 -0.250 0.000 1.178 255 H CA 0.313 56.292 56.048 -0.115 0.000 1.419 255 H CB 0.674 30.334 29.762 -0.170 0.000 1.458 255 H HN 0.254 nan 8.280 nan 0.000 0.605 256 T N 3.246 117.689 114.554 -0.186 0.000 2.875 256 T HA 0.275 4.625 4.350 -0.000 0.000 0.284 256 T C 0.078 174.527 174.700 -0.419 0.000 0.995 256 T CA -0.543 61.427 62.100 -0.218 0.000 1.060 256 T CB 0.655 69.456 68.868 -0.112 0.000 0.967 256 T HN 0.463 nan 8.240 nan 0.000 0.476 257 H N 1.256 120.332 119.070 0.010 0.000 2.821 257 H HA 0.491 5.047 4.556 -0.000 0.000 0.373 257 H C -0.349 174.975 175.328 -0.007 0.000 1.165 257 H CA -0.819 55.234 56.048 0.009 0.000 1.154 257 H CB 2.062 31.837 29.762 0.021 0.000 1.765 257 H HN 0.413 nan 8.280 nan 0.000 0.549 258 R N 1.918 122.494 120.500 0.126 0.000 2.338 258 R HA 0.448 4.788 4.340 -0.000 0.000 0.317 258 R C -1.102 175.242 176.300 0.074 0.000 0.968 258 R CA -0.529 55.609 56.100 0.063 0.000 0.849 258 R CB 0.523 30.837 30.300 0.024 0.000 1.128 258 R HN 0.435 nan 8.270 nan 0.000 0.448 259 L N 3.734 125.000 121.223 0.072 0.000 2.295 259 L HA 0.445 4.785 4.340 -0.000 0.000 0.285 259 L C 0.145 177.068 176.870 0.089 0.000 1.035 259 L CA -0.674 54.240 54.840 0.124 0.000 0.806 259 L CB 1.915 44.060 42.059 0.143 0.000 1.214 259 L HN 0.736 nan 8.230 nan 0.000 0.426 260 T N 1.133 115.751 114.554 0.107 0.000 2.856 260 T HA 0.804 5.153 4.350 -0.000 0.000 0.283 260 T C -0.599 174.146 174.700 0.075 0.000 1.008 260 T CA -0.582 61.543 62.100 0.042 0.000 0.997 260 T CB 1.856 70.718 68.868 -0.010 0.000 0.992 260 T HN 0.665 nan 8.240 nan 0.000 0.454 261 A N 3.563 126.392 122.820 0.015 0.000 2.318 261 A HA 0.621 4.941 4.320 -0.000 0.000 0.324 261 A C 1.064 178.610 177.584 -0.064 0.000 1.170 261 A CA -0.933 51.101 52.037 -0.005 0.000 0.810 261 A CB 1.132 20.117 19.000 -0.024 0.000 1.198 261 A HN 0.994 nan 8.150 nan 0.000 0.484 262 R N 1.201 121.642 120.500 -0.098 0.000 2.127 262 R HA -0.037 4.303 4.340 -0.000 0.000 0.217 262 R C 0.818 177.024 176.300 -0.158 0.000 1.074 262 R CA 1.321 57.352 56.100 -0.115 0.000 0.991 262 R CB 0.075 30.308 30.300 -0.111 0.000 0.895 262 R HN 0.756 nan 8.270 nan 0.000 0.450 263 N N -0.089 118.439 118.700 -0.286 0.000 2.530 263 N HA 0.076 4.816 4.740 -0.000 0.000 0.216 263 N C -0.290 175.125 175.510 -0.158 0.000 1.031 263 N CA 0.761 53.626 53.050 -0.309 0.000 1.063 263 N CB 0.563 38.647 38.487 -0.672 0.000 1.346 263 N HN 0.054 nan 8.380 nan 0.000 0.515 264 E N -0.580 119.529 120.200 -0.150 0.000 2.413 264 E HA 0.434 4.784 4.350 -0.000 0.000 0.277 264 E C -1.361 175.293 176.600 0.091 0.000 0.958 264 E CA -0.875 55.555 56.400 0.050 0.000 0.779 264 E CB 2.937 32.752 29.700 0.190 0.000 1.278 264 E HN -0.012 nan 8.360 nan 0.000 0.456 265 V N -1.304 118.647 119.914 0.061 0.000 2.483 265 V HA 0.668 4.788 4.120 -0.000 0.000 0.295 265 V C -0.471 175.660 176.094 0.062 0.000 1.035 265 V CA -0.683 61.648 62.300 0.052 0.000 0.896 265 V CB 1.465 33.275 31.823 -0.021 0.000 0.986 265 V HN 0.404 nan 8.190 nan 0.000 0.447 266 V N 5.896 125.844 119.914 0.057 0.000 2.357 266 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 266 V C -0.171 175.929 176.094 0.011 0.000 1.018 266 V CA -0.451 61.870 62.300 0.036 0.000 0.841 266 V CB 1.230 33.071 31.823 0.029 0.000 0.991 266 V HN 0.867 nan 8.190 nan 0.000 0.437 267 L N 4.884 126.110 121.223 0.004 0.000 2.281 267 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 267 L C 0.626 177.484 176.870 -0.021 0.000 1.074 267 L CA 1.042 55.876 54.840 -0.011 0.000 0.817 267 L CB 1.442 43.495 42.059 -0.009 0.000 1.168 267 L HN 0.662 nan 8.230 nan 0.000 0.434 268 S N 1.310 116.996 115.700 -0.024 0.000 2.941 268 S HA 0.057 4.527 4.470 -0.000 0.000 0.248 268 S C 0.907 175.491 174.600 -0.026 0.000 0.962 268 S CA 0.211 58.394 58.200 -0.027 0.000 1.092 268 S CB 0.229 63.416 63.200 -0.021 0.000 1.113 268 S HN 0.824 nan 8.310 nan 0.000 0.512 269 T N -0.351 114.177 114.554 -0.043 0.000 3.129 269 T HA 0.494 4.844 4.350 -0.000 0.000 0.251 269 T C 1.120 175.772 174.700 -0.081 0.000 1.117 269 T CA 0.317 62.384 62.100 -0.054 0.000 1.034 269 T CB -0.043 68.777 68.868 -0.081 0.000 0.968 269 T HN 0.811 nan 8.240 nan 0.000 0.526 270 G N 0.505 109.260 108.800 -0.075 0.000 2.746 270 G HA2 0.169 4.129 3.960 -0.000 0.000 0.685 270 G HA3 0.169 4.129 3.960 -0.000 0.000 0.685 270 G C 0.785 175.610 174.900 -0.126 0.000 1.350 270 G CA -0.506 44.545 45.100 -0.081 0.000 0.837 270 G HN 0.805 nan 8.290 nan 0.000 0.564 271 A N -0.472 122.272 122.820 -0.127 0.000 1.986 271 A HA 0.003 4.323 4.320 -0.000 0.000 0.220 271 A C 2.470 179.927 177.584 -0.213 0.000 1.171 271 A CA 2.505 54.443 52.037 -0.166 0.000 0.640 271 A CB -0.291 18.610 19.000 -0.165 0.000 0.811 271 A HN 1.020 nan 8.150 nan 0.000 0.451 272 I N -1.454 118.965 120.570 -0.251 0.000 2.628 272 I HA -0.057 4.113 4.170 -0.000 0.000 0.255 272 I C 1.494 177.384 176.117 -0.377 0.000 1.119 272 I CA 0.927 62.007 61.300 -0.367 0.000 1.448 272 I CB -0.057 37.632 38.000 -0.518 0.000 1.133 272 I HN 0.148 nan 8.210 nan 0.000 0.438 273 D N -0.117 120.074 120.400 -0.348 0.000 2.305 273 D HA -0.037 4.603 4.640 -0.000 0.000 0.206 273 D C 2.055 178.230 176.300 -0.208 0.000 0.974 273 D CA 0.863 54.667 54.000 -0.328 0.000 0.871 273 D CB 0.237 40.789 40.800 -0.412 0.000 0.947 273 D HN 0.194 nan 8.370 nan 0.000 0.516 274 T N 1.549 116.001 114.554 -0.170 0.000 2.701 274 T HA -0.066 4.283 4.350 -0.000 0.000 0.263 274 T C -0.945 173.692 174.700 -0.106 0.000 1.040 274 T CA 1.116 63.145 62.100 -0.119 0.000 1.147 274 T CB -0.838 67.968 68.868 -0.103 0.000 0.865 274 T HN 0.196 nan 8.240 nan 0.000 0.426 275 P HA -0.076 nan 4.420 nan 0.000 0.217 275 P C 1.409 178.657 177.300 -0.088 0.000 1.150 275 P CA 1.255 64.293 63.100 -0.103 0.000 0.832 275 P CB -0.031 31.593 31.700 -0.127 0.000 0.787 276 K N -0.270 120.059 120.400 -0.119 0.000 2.020 276 K HA -0.185 4.134 4.320 -0.000 0.000 0.212 276 K C 2.111 178.673 176.600 -0.062 0.000 1.050 276 K CA 1.373 57.600 56.287 -0.100 0.000 0.929 276 K CB -0.769 31.643 32.500 -0.146 0.000 0.714 276 K HN -0.057 nan 8.250 nan 0.000 0.443 277 L N 1.416 122.600 121.223 -0.066 0.000 2.083 277 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 277 L C 2.036 178.902 176.870 -0.008 0.000 1.083 277 L CA 1.408 56.226 54.840 -0.037 0.000 0.752 277 L CB -0.290 41.739 42.059 -0.049 0.000 0.899 277 L HN 0.262 nan 8.230 nan 0.000 0.433 278 L N -1.833 119.383 121.223 -0.011 0.000 2.093 278 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 278 L C 2.447 179.322 176.870 0.010 0.000 1.085 278 L CA 1.356 56.205 54.840 0.014 0.000 0.755 278 L CB -0.299 41.757 42.059 -0.005 0.000 0.904 278 L HN 0.311 nan 8.230 nan 0.000 0.435 279 M N -0.799 118.797 119.600 -0.006 0.000 2.081 279 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 279 M C 2.229 178.524 176.300 -0.009 0.000 1.075 279 M CA 1.662 56.959 55.300 -0.005 0.000 1.133 279 M CB -0.363 32.242 32.600 0.007 0.000 1.330 279 M HN 0.139 nan 8.290 nan 0.000 0.414 280 L N -0.351 120.866 121.223 -0.011 0.000 2.283 280 L HA -0.253 4.087 4.340 -0.000 0.000 0.217 280 L C 1.837 178.722 176.870 0.025 0.000 1.104 280 L CA 0.830 55.673 54.840 0.005 0.000 0.772 280 L CB -0.601 41.468 42.059 0.016 0.000 0.899 280 L HN 0.271 nan 8.230 nan 0.000 0.439 281 S N -1.123 114.602 115.700 0.042 0.000 2.540 281 S HA 0.276 4.745 4.470 -0.000 0.000 0.218 281 S C 1.288 175.928 174.600 0.067 0.000 0.977 281 S CA 0.536 58.794 58.200 0.097 0.000 0.918 281 S CB 0.904 64.216 63.200 0.187 0.000 0.806 281 S HN 0.620 nan 8.310 nan 0.000 0.496 282 G N 1.659 110.466 108.800 0.011 0.000 2.134 282 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.209 282 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.209 282 G C -0.124 174.737 174.900 -0.064 0.000 0.993 282 G CA -0.438 44.645 45.100 -0.029 0.000 0.669 282 G HN 0.483 nan 8.290 nan 0.000 0.519 283 I N 1.058 121.600 120.570 -0.047 0.000 2.437 283 I HA 0.658 4.828 4.170 -0.000 0.000 0.279 283 I C 0.698 176.796 176.117 -0.031 0.000 1.028 283 I CA 0.085 61.348 61.300 -0.062 0.000 1.142 283 I CB 1.232 39.187 38.000 -0.075 0.000 1.266 283 I HN 0.447 nan 8.210 nan 0.000 0.461 284 G N 6.244 115.029 108.800 -0.025 0.000 2.321 284 G HA2 0.297 4.257 3.960 -0.000 0.000 0.296 284 G HA3 0.297 4.257 3.960 -0.000 0.000 0.296 284 G C -3.351 171.552 174.900 0.005 0.000 1.287 284 G CA -0.809 44.289 45.100 -0.004 0.000 0.846 284 G HN 0.138 nan 8.290 nan 0.000 0.508 285 P HA 0.327 nan 4.420 nan 0.000 0.262 285 P C 0.969 178.294 177.300 0.042 0.000 1.199 285 P CA 0.768 63.881 63.100 0.022 0.000 0.763 285 P CB 1.131 32.840 31.700 0.015 0.000 0.790 286 A N 5.403 128.231 122.820 0.012 0.000 1.884 286 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 286 A C 2.185 179.777 177.584 0.014 0.000 1.197 286 A CA 2.532 54.571 52.037 0.003 0.000 0.637 286 A CB -1.659 17.335 19.000 -0.009 0.000 0.827 286 A HN 0.519 nan 8.150 nan 0.000 0.450 287 A N -1.773 121.060 122.820 0.023 0.000 1.933 287 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 287 A C 2.112 179.731 177.584 0.057 0.000 1.175 287 A CA 1.804 53.855 52.037 0.023 0.000 0.628 287 A CB -0.942 18.067 19.000 0.016 0.000 0.814 287 A HN 0.822 nan 8.150 nan 0.000 0.444 288 H N -0.469 118.588 119.070 -0.021 0.000 2.395 288 H HA 0.037 4.593 4.556 -0.000 0.000 0.299 288 H C 1.800 177.155 175.328 0.046 0.000 1.070 288 H CA 1.354 57.404 56.048 0.003 0.000 1.356 288 H CB 0.026 29.797 29.762 0.015 0.000 1.401 288 H HN 0.443 nan 8.280 nan 0.000 0.524 289 L N 0.186 121.376 121.223 -0.055 0.000 2.109 289 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 289 L C 3.069 179.897 176.870 -0.069 0.000 1.086 289 L CA 0.721 55.506 54.840 -0.091 0.000 0.760 289 L CB -0.412 41.624 42.059 -0.039 0.000 0.910 289 L HN 0.252 nan 8.230 nan 0.000 0.437 290 A N 1.201 123.988 122.820 -0.056 0.000 1.940 290 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 290 A C 2.149 179.678 177.584 -0.092 0.000 1.176 290 A CA 1.959 53.964 52.037 -0.054 0.000 0.631 290 A CB -0.532 18.445 19.000 -0.038 0.000 0.814 290 A HN 0.636 nan 8.150 nan 0.000 0.446 291 E N -1.767 118.338 120.200 -0.159 0.000 2.482 291 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 291 E C 1.027 177.357 176.600 -0.449 0.000 1.047 291 E CA 1.020 57.254 56.400 -0.277 0.000 0.869 291 E CB -0.224 29.294 29.700 -0.303 0.000 0.836 291 E HN 0.708 nan 8.360 nan 0.000 0.520 292 H N -0.649 118.354 119.070 -0.112 0.000 2.893 292 H HA 0.273 4.829 4.556 -0.000 0.000 0.270 292 H C 0.982 176.270 175.328 -0.066 0.000 1.095 292 H CA 0.415 56.403 56.048 -0.101 0.000 1.186 292 H CB 1.569 31.235 29.762 -0.159 0.000 1.562 292 H HN 0.380 nan 8.280 nan 0.000 0.536 293 G N 1.666 110.473 108.800 0.012 0.000 2.132 293 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.234 293 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.234 293 G C 0.104 175.009 174.900 0.009 0.000 0.989 293 G CA 0.033 45.137 45.100 0.007 0.000 0.676 293 G HN 0.271 nan 8.290 nan 0.000 0.522 294 I N 1.228 121.802 120.570 0.006 0.000 2.365 294 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 294 I C 0.818 176.930 176.117 -0.009 0.000 1.004 294 I CA -0.674 60.627 61.300 0.001 0.000 1.311 294 I CB 1.020 39.017 38.000 -0.005 0.000 1.401 294 I HN 0.005 nan 8.210 nan 0.000 0.491 295 E N 4.715 124.911 120.200 -0.006 0.000 2.384 295 E HA 0.110 4.460 4.350 -0.000 0.000 0.266 295 E C -0.835 175.751 176.600 -0.023 0.000 1.012 295 E CA -0.142 56.250 56.400 -0.013 0.000 0.901 295 E CB 1.373 31.068 29.700 -0.009 0.000 0.967 295 E HN 0.252 nan 8.360 nan 0.000 0.435 296 V N 5.771 125.667 119.914 -0.029 0.000 2.432 296 V HA -0.019 4.101 4.120 -0.000 0.000 0.271 296 V C 1.104 177.164 176.094 -0.057 0.000 1.046 296 V CA -0.014 62.261 62.300 -0.041 0.000 0.945 296 V CB 0.990 32.792 31.823 -0.035 0.000 0.992 296 V HN 0.614 nan 8.190 nan 0.000 0.471 297 L N 6.257 127.428 121.223 -0.088 0.000 2.189 297 L HA 0.345 4.685 4.340 -0.000 0.000 0.199 297 L C 0.579 177.369 176.870 -0.134 0.000 1.074 297 L CA 1.564 56.325 54.840 -0.130 0.000 0.783 297 L CB 0.624 42.551 42.059 -0.220 0.000 0.955 297 L HN 0.448 nan 8.230 nan 0.000 0.460 298 V N 1.050 120.883 119.914 -0.134 0.000 2.483 298 V HA 0.301 4.420 4.120 -0.000 0.000 0.297 298 V C -1.209 174.842 176.094 -0.071 0.000 1.027 298 V CA -0.905 61.330 62.300 -0.108 0.000 0.855 298 V CB 1.280 33.025 31.823 -0.130 0.000 0.995 298 V HN 0.160 nan 8.190 nan 0.000 0.424 299 D N 3.399 123.767 120.400 -0.053 0.000 2.374 299 D HA 0.183 4.823 4.640 -0.000 0.000 0.240 299 D C 0.005 176.284 176.300 -0.034 0.000 1.229 299 D CA 0.479 54.458 54.000 -0.036 0.000 0.895 299 D CB 1.094 41.877 40.800 -0.029 0.000 1.046 299 D HN 0.489 nan 8.370 nan 0.000 0.498 300 S N 4.583 120.263 115.700 -0.033 0.000 2.399 300 S HA 0.378 4.848 4.470 -0.000 0.000 0.215 300 S C -1.930 172.653 174.600 -0.029 0.000 1.456 300 S CA -1.448 56.733 58.200 -0.032 0.000 1.199 300 S CB 1.028 64.204 63.200 -0.040 0.000 1.063 300 S HN 0.255 nan 8.310 nan 0.000 0.476 301 P HA 0.023 nan 4.420 nan 0.000 0.220 301 P C 1.424 178.689 177.300 -0.058 0.000 1.148 301 P CA 0.844 63.923 63.100 -0.035 0.000 0.803 301 P CB 0.011 31.696 31.700 -0.025 0.000 0.782 302 G N -0.747 108.034 108.800 -0.032 0.000 2.813 302 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.209 302 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.209 302 G C 0.336 175.185 174.900 -0.084 0.000 1.150 302 G CA -0.032 45.050 45.100 -0.030 0.000 0.785 302 G HN 0.155 nan 8.290 nan 0.000 0.535 303 V N 1.071 120.940 119.914 -0.075 0.000 2.479 303 V HA 0.458 4.578 4.120 -0.000 0.000 0.281 303 V C 1.606 177.630 176.094 -0.117 0.000 1.031 303 V CA 1.202 63.454 62.300 -0.081 0.000 1.038 303 V CB 0.361 32.153 31.823 -0.052 0.000 0.981 303 V HN 0.657 nan 8.190 nan 0.000 0.478 304 G N 3.722 112.437 108.800 -0.140 0.000 2.225 304 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 304 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 304 G C 0.207 174.964 174.900 -0.239 0.000 0.988 304 G CA 0.067 45.063 45.100 -0.174 0.000 0.625 304 G HN 0.594 nan 8.290 nan 0.000 0.527 305 E N 0.359 120.365 120.200 -0.323 0.000 2.312 305 E HA 0.472 4.822 4.350 -0.000 0.000 0.259 305 E C 0.978 177.260 176.600 -0.531 0.000 1.122 305 E CA -0.157 55.918 56.400 -0.542 0.000 0.922 305 E CB 0.120 29.307 29.700 -0.854 0.000 1.109 305 E HN 0.515 nan 8.360 nan 0.000 0.442 306 H N -1.591 117.396 119.070 -0.137 0.000 2.936 306 H HA -0.190 4.366 4.556 -0.000 0.000 0.276 306 H C 0.143 175.368 175.328 -0.173 0.000 1.216 306 H CA 0.106 56.065 56.048 -0.148 0.000 1.132 306 H CB -2.298 27.367 29.762 -0.161 0.000 1.303 306 H HN 0.178 nan 8.280 nan 0.000 0.370 307 L N 2.167 123.315 121.223 -0.125 0.000 2.615 307 L HA 0.092 4.432 4.340 -0.000 0.000 0.271 307 L C 0.514 177.303 176.870 -0.134 0.000 1.183 307 L CA 0.840 55.587 54.840 -0.155 0.000 0.933 307 L CB 0.374 42.318 42.059 -0.193 0.000 1.199 307 L HN 0.268 nan 8.230 nan 0.000 0.487 308 Q N 3.709 123.428 119.800 -0.135 0.000 2.399 308 Q HA 0.676 5.016 4.340 -0.000 0.000 0.276 308 Q C -1.307 174.677 176.000 -0.027 0.000 1.098 308 Q CA -0.946 54.814 55.803 -0.072 0.000 0.827 308 Q CB 2.568 31.270 28.738 -0.060 0.000 1.386 308 Q HN 0.675 nan 8.270 nan 0.000 0.443 309 D N -0.880 119.599 120.400 0.131 0.000 2.671 309 D HA 0.182 4.822 4.640 -0.000 0.000 0.273 309 D C -1.666 174.731 176.300 0.162 0.000 1.264 309 D CA -0.549 53.574 54.000 0.205 0.000 0.788 309 D CB 1.208 42.161 40.800 0.256 0.000 1.324 309 D HN 0.558 nan 8.370 nan 0.000 0.424 310 H N 1.230 120.417 119.070 0.195 0.000 2.872 310 H HA 0.354 4.910 4.556 -0.000 0.000 0.273 310 H C -1.709 173.609 175.328 -0.016 0.000 1.205 310 H CA -1.638 54.427 56.048 0.028 0.000 1.342 310 H CB 0.809 30.583 29.762 0.020 0.000 1.469 310 H HN 0.036 nan 8.280 nan 0.000 0.487 311 P HA 0.005 nan 4.420 nan 0.000 0.272 311 P C -0.252 177.013 177.300 -0.059 0.000 1.223 311 P CA -0.094 62.911 63.100 -0.159 0.000 0.784 311 P CB 1.539 32.977 31.700 -0.437 0.000 0.923 312 E N 0.463 120.625 120.200 -0.063 0.000 2.248 312 E HA 0.566 4.916 4.350 -0.000 0.000 0.267 312 E C -0.355 176.293 176.600 0.080 0.000 0.877 312 E CA -0.932 55.475 56.400 0.012 0.000 0.759 312 E CB 1.652 31.318 29.700 -0.056 0.000 1.182 312 E HN 0.562 nan 8.360 nan 0.000 0.418 313 G N 1.088 109.943 108.800 0.093 0.000 2.521 313 G HA2 0.578 4.538 3.960 -0.000 0.000 0.323 313 G HA3 0.578 4.538 3.960 -0.000 0.000 0.323 313 G C -1.227 173.746 174.900 0.123 0.000 1.211 313 G CA -0.444 44.709 45.100 0.089 0.000 0.979 313 G HN 0.373 nan 8.290 nan 0.000 0.490 314 V N -0.658 119.345 119.914 0.148 0.000 2.841 314 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 314 V C -1.181 175.035 176.094 0.204 0.000 1.090 314 V CA -0.583 61.839 62.300 0.203 0.000 0.930 314 V CB 2.179 34.157 31.823 0.258 0.000 1.014 314 V HN 0.584 nan 8.190 nan 0.000 0.425 315 V N 6.385 126.396 119.914 0.161 0.000 2.487 315 V HA 0.569 4.688 4.120 -0.000 0.000 0.298 315 V C -0.462 175.599 176.094 -0.055 0.000 1.028 315 V CA -0.499 61.811 62.300 0.017 0.000 0.860 315 V CB 1.681 33.558 31.823 0.090 0.000 0.991 315 V HN 0.944 nan 8.190 nan 0.000 0.427 316 Q N 3.711 123.326 119.800 -0.309 0.000 2.333 316 Q HA 0.691 5.031 4.340 -0.000 0.000 0.267 316 Q C -1.719 173.926 176.000 -0.592 0.000 1.012 316 Q CA -0.397 55.241 55.803 -0.275 0.000 0.824 316 Q CB 2.845 31.503 28.738 -0.134 0.000 1.290 316 Q HN 0.649 nan 8.270 nan 0.000 0.449 317 F N 0.332 120.056 119.950 -0.377 0.000 2.576 317 F HA 0.286 4.813 4.527 -0.000 0.000 0.313 317 F C 0.372 175.961 175.800 -0.352 0.000 1.078 317 F CA -0.930 56.810 58.000 -0.433 0.000 0.921 317 F CB 1.784 40.299 39.000 -0.808 0.000 1.232 317 F HN 0.314 nan 8.300 nan 0.000 0.459 318 E N 1.567 121.791 120.200 0.039 0.000 2.331 318 E HA 0.549 4.899 4.350 -0.000 0.000 0.272 318 E C -0.890 175.825 176.600 0.191 0.000 1.036 318 E CA -0.302 56.148 56.400 0.083 0.000 0.864 318 E CB 1.705 31.452 29.700 0.079 0.000 1.035 318 E HN 0.692 nan 8.360 nan 0.000 0.408 319 A N 4.048 127.028 122.820 0.268 0.000 2.290 319 A HA 0.236 4.556 4.320 -0.000 0.000 0.310 319 A C 0.853 178.597 177.584 0.267 0.000 1.202 319 A CA -0.387 51.904 52.037 0.422 0.000 0.837 319 A CB 0.611 19.964 19.000 0.588 0.000 1.139 319 A HN 0.690 nan 8.150 nan 0.000 0.509 320 K N 0.478 121.006 120.400 0.214 0.000 2.283 320 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 320 K C 0.517 177.097 176.600 -0.034 0.000 1.048 320 K CA 1.218 57.536 56.287 0.053 0.000 0.948 320 K CB 0.061 32.549 32.500 -0.021 0.000 0.742 320 K HN 0.816 nan 8.250 nan 0.000 0.458 321 Q N -0.511 119.271 119.800 -0.031 0.000 2.552 321 Q HA 0.308 4.648 4.340 -0.000 0.000 0.289 321 Q C -2.685 173.448 176.000 0.221 0.000 1.097 321 Q CA -2.483 53.277 55.803 -0.072 0.000 0.812 321 Q CB 1.663 30.073 28.738 -0.546 0.000 1.460 321 Q HN -0.118 nan 8.270 nan 0.000 0.452 322 P HA 0.014 nan 4.420 nan 0.000 0.271 322 P C -0.715 176.812 177.300 0.380 0.000 1.233 322 P CA 0.287 63.537 63.100 0.250 0.000 0.764 322 P CB 0.375 32.172 31.700 0.162 0.000 0.825 323 M N 2.826 122.610 119.600 0.307 0.000 2.232 323 M HA 0.054 4.534 4.480 -0.000 0.000 0.321 323 M C 0.797 177.199 176.300 0.170 0.000 1.101 323 M CA -0.441 54.992 55.300 0.222 0.000 1.181 323 M CB -0.006 32.707 32.600 0.189 0.000 1.432 323 M HN 0.158 nan 8.290 nan 0.000 0.457 324 V N 0.571 120.559 119.914 0.123 0.000 2.814 324 V HA 0.180 4.300 4.120 -0.000 0.000 0.307 324 V C 1.052 177.266 176.094 0.201 0.000 1.089 324 V CA 0.150 62.529 62.300 0.131 0.000 1.212 324 V CB -0.587 31.287 31.823 0.086 0.000 0.912 324 V HN 0.961 nan 8.190 nan 0.000 0.497 325 A N 2.884 125.812 122.820 0.181 0.000 2.220 325 A HA 0.264 4.584 4.320 -0.000 0.000 0.211 325 A C 0.813 178.592 177.584 0.326 0.000 1.176 325 A CA 0.514 52.685 52.037 0.223 0.000 0.834 325 A CB -0.224 18.862 19.000 0.145 0.000 0.868 325 A HN 1.043 nan 8.150 nan 0.000 0.488 326 E N -1.463 118.853 120.200 0.194 0.000 2.393 326 E HA 0.704 5.054 4.350 -0.000 0.000 0.273 326 E C -0.972 175.453 176.600 -0.291 0.000 0.918 326 E CA -0.731 55.685 56.400 0.027 0.000 0.773 326 E CB 1.478 31.187 29.700 0.014 0.000 1.275 326 E HN -0.016 nan 8.360 nan 0.000 0.451 327 S N -0.805 114.484 115.700 -0.686 0.000 2.672 327 S HA 0.318 4.788 4.470 -0.000 0.000 0.271 327 S C 0.389 174.662 174.600 -0.544 0.000 1.171 327 S CA 0.218 57.992 58.200 -0.709 0.000 0.817 327 S CB 1.156 63.635 63.200 -1.202 0.000 1.150 327 S HN 0.695 nan 8.310 nan 0.000 0.478 328 T N -0.238 114.109 114.554 -0.345 0.000 2.937 328 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 328 T C 0.797 175.404 174.700 -0.156 0.000 1.051 328 T CA 1.512 63.503 62.100 -0.181 0.000 1.141 328 T CB -0.263 68.576 68.868 -0.048 0.000 0.879 328 T HN 0.719 nan 8.240 nan 0.000 0.459 329 Q N -2.118 117.552 119.800 -0.216 0.000 1.638 329 Q HA 0.253 4.593 4.340 -0.000 0.000 0.156 329 Q C 0.202 176.491 176.000 0.481 0.000 0.781 329 Q CA -0.628 55.281 55.803 0.178 0.000 0.770 329 Q CB -1.388 27.547 28.738 0.328 0.000 1.217 329 Q HN 0.544 nan 8.270 nan 0.000 0.362 330 W N -1.854 119.618 121.300 0.287 0.000 1.828 330 W HA -0.208 4.452 4.660 -0.000 0.000 0.253 330 W C -0.749 175.581 176.519 -0.315 0.000 1.019 330 W CA 0.580 57.918 57.345 -0.011 0.000 0.447 330 W CB -1.730 27.706 29.460 -0.040 0.000 2.033 330 W HN 0.390 nan 8.180 nan 0.000 1.268 331 W N 1.228 122.732 121.300 0.340 0.000 2.036 331 W HA 0.487 5.147 4.660 -0.000 0.000 0.294 331 W C 0.876 177.666 176.519 0.451 0.000 0.948 331 W CA -0.572 56.959 57.345 0.310 0.000 1.774 331 W CB -0.237 29.417 29.460 0.324 0.000 1.950 331 W HN -0.137 nan 8.180 nan 0.000 0.384 332 E N 0.770 121.250 120.200 0.467 0.000 2.385 332 E HA 0.122 4.472 4.350 -0.000 0.000 0.194 332 E C 0.399 177.090 176.600 0.153 0.000 1.013 332 E CA 0.521 57.210 56.400 0.481 0.000 0.866 332 E CB 0.914 30.883 29.700 0.448 0.000 0.832 332 E HN 0.302 nan 8.360 nan 0.000 0.500 333 I N 0.387 120.929 120.570 -0.047 0.000 2.569 333 I HA 0.352 4.521 4.170 -0.000 0.000 0.296 333 I C 0.041 175.727 176.117 -0.717 0.000 1.028 333 I CA -0.745 60.198 61.300 -0.595 0.000 1.082 333 I CB 2.135 39.873 38.000 -0.436 0.000 1.264 333 I HN -0.128 nan 8.210 nan 0.000 0.429 334 G N 6.274 114.447 108.800 -1.046 0.000 2.453 334 G HA2 0.813 4.773 3.960 -0.000 0.000 0.323 334 G HA3 0.813 4.773 3.960 -0.000 0.000 0.323 334 G C -1.100 173.626 174.900 -0.290 0.000 1.198 334 G CA -0.440 44.397 45.100 -0.439 0.000 0.959 334 G HN 0.455 nan 8.290 nan 0.000 0.482 335 I N 0.695 121.007 120.570 -0.430 0.000 2.478 335 I HA 0.365 4.534 4.170 -0.000 0.000 0.287 335 I C -1.223 174.662 176.117 -0.387 0.000 1.042 335 I CA -0.452 60.683 61.300 -0.275 0.000 1.067 335 I CB 2.035 39.954 38.000 -0.136 0.000 1.233 335 I HN 0.272 nan 8.210 nan 0.000 0.431 336 F N 3.430 123.424 119.950 0.073 0.000 2.469 336 F HA 0.671 5.198 4.527 -0.000 0.000 0.332 336 F C 0.379 176.203 175.800 0.040 0.000 1.103 336 F CA -0.684 57.343 58.000 0.045 0.000 0.979 336 F CB 2.303 41.340 39.000 0.061 0.000 1.137 336 F HN 0.233 nan 8.300 nan 0.000 0.463 337 T N 3.922 118.610 114.554 0.224 0.000 3.435 337 T HA 0.306 4.656 4.350 -0.000 0.000 0.344 337 T C -2.966 171.798 174.700 0.107 0.000 1.211 337 T CA -1.378 60.800 62.100 0.131 0.000 1.104 337 T CB 1.453 70.372 68.868 0.084 0.000 1.196 337 T HN 0.109 nan 8.240 nan 0.000 0.471 338 P HA 0.191 nan 4.420 nan 0.000 0.269 338 P C 0.815 178.149 177.300 0.056 0.000 1.209 338 P CA -0.077 63.065 63.100 0.069 0.000 0.776 338 P CB 0.618 32.350 31.700 0.053 0.000 0.876 339 T N -1.764 112.820 114.554 0.050 0.000 3.000 339 T HA 0.167 4.517 4.350 -0.000 0.000 0.248 339 T C 0.319 175.036 174.700 0.028 0.000 1.034 339 T CA 0.178 62.298 62.100 0.033 0.000 1.060 339 T CB -0.103 68.775 68.868 0.017 0.000 0.983 339 T HN 0.390 nan 8.240 nan 0.000 0.482 340 E N 0.878 121.098 120.200 0.035 0.000 2.316 340 E HA 0.516 4.865 4.350 -0.000 0.000 0.258 340 E C -1.047 175.572 176.600 0.033 0.000 0.952 340 E CA -1.092 55.328 56.400 0.033 0.000 0.818 340 E CB 1.095 30.819 29.700 0.040 0.000 1.260 340 E HN 0.225 nan 8.360 nan 0.000 0.416 341 D N -0.749 119.667 120.400 0.028 0.000 2.440 341 D HA 0.348 4.988 4.640 -0.000 0.000 0.258 341 D C 0.576 176.890 176.300 0.022 0.000 1.092 341 D CA -0.117 53.897 54.000 0.024 0.000 1.016 341 D CB 1.480 42.291 40.800 0.019 0.000 1.141 341 D HN 0.727 nan 8.370 nan 0.000 0.552 342 G N 0.085 108.895 108.800 0.017 0.000 2.147 342 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 342 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 342 G C -0.014 174.894 174.900 0.012 0.000 1.005 342 G CA -0.022 45.086 45.100 0.013 0.000 0.713 342 G HN 0.318 nan 8.290 nan 0.000 0.515 343 L N 0.690 121.923 121.223 0.015 0.000 2.289 343 L HA 0.445 4.785 4.340 -0.000 0.000 0.285 343 L C 1.222 178.094 176.870 0.004 0.000 1.049 343 L CA -0.387 54.460 54.840 0.012 0.000 0.804 343 L CB 1.263 43.337 42.059 0.025 0.000 1.195 343 L HN 0.268 nan 8.230 nan 0.000 0.428 344 D N 0.799 121.195 120.400 -0.007 0.000 2.340 344 D HA 0.002 4.642 4.640 -0.000 0.000 0.220 344 D C 0.341 176.631 176.300 -0.017 0.000 1.039 344 D CA 0.307 54.300 54.000 -0.012 0.000 0.866 344 D CB 0.305 41.096 40.800 -0.016 0.000 0.913 344 D HN 0.326 nan 8.370 nan 0.000 0.523 345 R N 0.168 120.659 120.500 -0.015 0.000 2.725 345 R HA 0.432 4.772 4.340 -0.000 0.000 0.277 345 R C -2.736 173.578 176.300 0.024 0.000 0.987 345 R CA -2.114 53.978 56.100 -0.012 0.000 0.901 345 R CB 2.152 32.450 30.300 -0.004 0.000 1.207 345 R HN -0.044 nan 8.270 nan 0.000 0.463 346 P HA -0.022 nan 4.420 nan 0.000 0.267 346 P C -0.514 176.879 177.300 0.155 0.000 1.209 346 P CA 0.090 63.254 63.100 0.108 0.000 0.763 346 P CB 0.750 32.557 31.700 0.177 0.000 0.816 347 D N 2.588 123.082 120.400 0.156 0.000 2.349 347 D HA 0.030 4.670 4.640 -0.000 0.000 0.215 347 D C 0.301 176.709 176.300 0.180 0.000 1.016 347 D CA 0.257 54.379 54.000 0.203 0.000 0.870 347 D CB -0.114 40.803 40.800 0.195 0.000 0.917 347 D HN 0.235 nan 8.370 nan 0.000 0.524 348 L N -0.188 121.125 121.223 0.149 0.000 2.436 348 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 348 L C -1.569 175.361 176.870 0.101 0.000 0.974 348 L CA -0.676 54.230 54.840 0.109 0.000 0.826 348 L CB 2.389 44.499 42.059 0.086 0.000 1.291 348 L HN -0.060 nan 8.230 nan 0.000 0.406 349 M N 5.053 124.667 119.600 0.023 0.000 2.591 349 M HA 0.666 5.146 4.480 -0.000 0.000 0.306 349 M C -1.707 174.533 176.300 -0.100 0.000 1.190 349 M CA -0.584 54.643 55.300 -0.122 0.000 0.889 349 M CB 2.245 34.715 32.600 -0.216 0.000 1.728 349 M HN 0.754 nan 8.290 nan 0.000 0.458 350 M N 2.188 121.690 119.600 -0.163 0.000 2.395 350 M HA 0.406 4.886 4.480 -0.000 0.000 0.307 350 M C -1.472 174.791 176.300 -0.062 0.000 1.091 350 M CA -0.685 54.604 55.300 -0.019 0.000 0.919 350 M CB 2.275 34.903 32.600 0.047 0.000 1.662 350 M HN 0.656 nan 8.290 nan 0.000 0.440 351 H N 0.313 119.479 119.070 0.159 0.000 2.488 351 H HA 0.396 4.952 4.556 -0.000 0.000 0.347 351 H C -1.545 174.030 175.328 0.412 0.000 1.174 351 H CA -0.011 56.234 56.048 0.328 0.000 1.307 351 H CB 1.033 31.026 29.762 0.386 0.000 1.517 351 H HN 0.545 nan 8.280 nan 0.000 0.554 352 Y N 0.935 121.478 120.300 0.404 0.000 2.328 352 Y HA 0.494 5.044 4.550 -0.000 0.000 0.333 352 Y C -0.302 175.706 175.900 0.179 0.000 0.958 352 Y CA -1.124 57.112 58.100 0.227 0.000 1.167 352 Y CB 0.757 39.211 38.460 -0.010 0.000 1.151 352 Y HN 0.727 nan 8.280 nan 0.000 0.470 353 G N 2.753 111.138 108.800 -0.693 0.000 2.343 353 G HA2 0.344 4.304 3.960 -0.000 0.000 0.319 353 G HA3 0.344 4.304 3.960 -0.000 0.000 0.319 353 G C -0.079 174.108 174.900 -1.188 0.000 1.126 353 G CA -0.500 43.681 45.100 -1.532 0.000 0.889 353 G HN 0.862 nan 8.290 nan 0.000 0.457 354 S N 0.366 115.500 115.700 -0.942 0.000 2.859 354 S HA 0.327 4.797 4.470 -0.000 0.000 0.245 354 S C 0.461 174.971 174.600 -0.151 0.000 1.008 354 S CA 0.136 58.102 58.200 -0.390 0.000 1.089 354 S CB -0.989 62.134 63.200 -0.127 0.000 0.798 354 S HN 1.268 nan 8.310 nan 0.000 0.477 355 V N -5.018 114.741 119.914 -0.258 0.000 3.232 355 V HA 0.694 4.814 4.120 -0.000 0.000 0.303 355 V C -3.228 172.823 176.094 -0.072 0.000 1.311 355 V CA -2.820 59.395 62.300 -0.142 0.000 1.061 355 V CB 0.804 32.496 31.823 -0.219 0.000 1.085 355 V HN -0.013 nan 8.190 nan 0.000 0.447 356 P HA 0.385 nan 4.420 nan 0.000 0.272 356 P C -1.155 176.283 177.300 0.231 0.000 1.254 356 P CA 0.183 63.327 63.100 0.073 0.000 0.795 356 P CB 0.170 31.889 31.700 0.033 0.000 1.022 357 F N 1.033 121.009 119.950 0.043 0.000 3.159 357 F HA 0.178 4.705 4.527 -0.000 0.000 0.394 357 F C -0.484 175.352 175.800 0.059 0.000 1.214 357 F CA -0.720 57.345 58.000 0.108 0.000 1.241 357 F CB 0.011 39.168 39.000 0.262 0.000 2.238 357 F HN 0.132 nan 8.300 nan 0.000 0.658 358 D N 1.811 122.113 120.400 -0.163 0.000 2.342 358 D HA -0.002 4.638 4.640 -0.000 0.000 0.221 358 D C 2.039 178.189 176.300 -0.250 0.000 1.101 358 D CA 0.122 54.036 54.000 -0.145 0.000 0.837 358 D CB -0.100 40.658 40.800 -0.070 0.000 0.938 358 D HN 0.556 nan 8.370 nan 0.000 0.508 359 M N 0.378 119.673 119.600 -0.510 0.000 2.144 359 M HA -0.166 4.314 4.480 -0.000 0.000 0.260 359 M C 0.368 176.516 176.300 -0.254 0.000 1.067 359 M CA 1.478 56.521 55.300 -0.428 0.000 1.095 359 M CB 0.076 32.291 32.600 -0.641 0.000 1.365 359 M HN -0.032 nan 8.290 nan 0.000 0.406 360 N N -0.893 117.667 118.700 -0.233 0.000 2.205 360 N HA 0.065 4.805 4.740 -0.000 0.000 0.201 360 N C 1.148 176.624 175.510 -0.056 0.000 1.128 360 N CA 1.061 54.028 53.050 -0.138 0.000 0.867 360 N CB 0.621 39.015 38.487 -0.155 0.000 0.996 360 N HN 0.553 nan 8.380 nan 0.000 0.503 361 T N -2.173 112.359 114.554 -0.035 0.000 3.026 361 T HA 0.082 4.432 4.350 -0.000 0.000 0.245 361 T C 1.851 176.652 174.700 0.167 0.000 1.004 361 T CA -0.101 62.057 62.100 0.096 0.000 1.069 361 T CB -0.188 68.691 68.868 0.019 0.000 1.005 361 T HN -0.117 nan 8.240 nan 0.000 0.472 362 L N 2.990 124.235 121.223 0.036 0.000 2.064 362 L HA -0.134 4.206 4.340 -0.000 0.000 0.216 362 L C 2.696 179.544 176.870 -0.038 0.000 1.077 362 L CA 2.304 57.143 54.840 -0.001 0.000 0.766 362 L CB -0.642 41.385 42.059 -0.053 0.000 0.890 362 L HN 0.542 nan 8.230 nan 0.000 0.435 363 R N -2.599 117.839 120.500 -0.103 0.000 2.276 363 R HA -0.088 4.252 4.340 -0.000 0.000 0.203 363 R C 1.145 177.210 176.300 -0.392 0.000 1.017 363 R CA 1.447 57.375 56.100 -0.288 0.000 1.010 363 R CB -0.625 29.369 30.300 -0.511 0.000 0.900 363 R HN 0.448 nan 8.270 nan 0.000 0.469 364 H N -0.572 118.461 119.070 -0.062 0.000 2.549 364 H HA 0.299 4.855 4.556 -0.000 0.000 0.279 364 H C 0.771 176.000 175.328 -0.165 0.000 1.018 364 H CA 0.562 56.573 56.048 -0.061 0.000 1.175 364 H CB 1.472 31.280 29.762 0.076 0.000 1.485 364 H HN 0.526 nan 8.280 nan 0.000 0.543 365 G N -0.342 108.429 108.800 -0.048 0.000 2.157 365 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.239 365 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.239 365 G C -0.291 174.528 174.900 -0.136 0.000 0.982 365 G CA -0.396 44.634 45.100 -0.117 0.000 0.650 365 G HN 0.317 nan 8.290 nan 0.000 0.527 366 Y N 1.189 121.500 120.300 0.018 0.000 2.457 366 Y HA 0.443 4.993 4.550 -0.000 0.000 0.341 366 Y C -1.222 174.669 175.900 -0.015 0.000 1.240 366 Y CA -1.006 57.097 58.100 0.005 0.000 1.437 366 Y CB 0.303 38.780 38.460 0.028 0.000 1.328 366 Y HN 0.099 nan 8.280 nan 0.000 0.588 367 P HA 0.394 nan 4.420 nan 0.000 0.283 367 P C -0.738 176.589 177.300 0.047 0.000 1.271 367 P CA -0.664 62.469 63.100 0.056 0.000 0.841 367 P CB 1.535 33.253 31.700 0.030 0.000 1.122 368 T N -3.051 111.516 114.554 0.022 0.000 2.724 368 T HA 0.835 5.185 4.350 -0.000 0.000 0.274 368 T C -0.581 174.125 174.700 0.009 0.000 0.984 368 T CA -0.660 61.447 62.100 0.012 0.000 1.024 368 T CB 1.367 70.236 68.868 0.002 0.000 1.320 368 T HN 0.557 nan 8.240 nan 0.000 0.555 369 T N -1.069 113.489 114.554 0.007 0.000 2.831 369 T HA 0.316 4.666 4.350 -0.000 0.000 0.333 369 T C -1.133 173.574 174.700 0.011 0.000 1.684 369 T CA -0.526 61.583 62.100 0.015 0.000 1.049 369 T CB 1.706 70.588 68.868 0.024 0.000 1.518 369 T HN 0.721 nan 8.240 nan 0.000 0.491 370 E N 1.331 121.541 120.200 0.016 0.000 2.501 370 E HA 0.202 4.552 4.350 -0.000 0.000 0.201 370 E C -0.381 176.238 176.600 0.031 0.000 1.016 370 E CA -0.142 56.263 56.400 0.009 0.000 0.920 370 E CB 0.441 30.142 29.700 0.002 0.000 1.023 370 E HN 0.326 nan 8.360 nan 0.000 0.474 371 N N 0.337 119.073 118.700 0.059 0.000 2.533 371 N HA 0.400 5.140 4.740 -0.000 0.000 0.289 371 N C -0.998 174.592 175.510 0.133 0.000 1.103 371 N CA -0.206 52.906 53.050 0.104 0.000 0.877 371 N CB 1.680 40.239 38.487 0.121 0.000 1.419 371 N HN 0.108 nan 8.380 nan 0.000 0.517 372 G N 0.899 109.792 108.800 0.156 0.000 2.495 372 G HA2 0.557 4.517 3.960 -0.000 0.000 0.294 372 G HA3 0.557 4.517 3.960 -0.000 0.000 0.294 372 G C -1.785 173.258 174.900 0.239 0.000 1.397 372 G CA -0.730 44.464 45.100 0.156 0.000 0.790 372 G HN 0.426 nan 8.290 nan 0.000 0.486 373 F N -1.603 118.425 119.950 0.131 0.000 2.692 373 F HA 0.921 5.447 4.527 -0.000 0.000 0.320 373 F C -0.373 175.507 175.800 0.133 0.000 1.123 373 F CA -1.338 56.697 58.000 0.059 0.000 0.961 373 F CB 1.676 40.761 39.000 0.141 0.000 1.383 373 F HN 0.545 nan 8.300 nan 0.000 0.483 374 S N 0.823 116.646 115.700 0.206 0.000 2.564 374 S HA 0.773 5.243 4.470 -0.000 0.000 0.274 374 S C -1.483 173.335 174.600 0.364 0.000 1.124 374 S CA -0.743 57.580 58.200 0.205 0.000 0.869 374 S CB 1.953 65.239 63.200 0.142 0.000 1.105 374 S HN 0.657 nan 8.310 nan 0.000 0.472 375 L N 2.316 123.777 121.223 0.397 0.000 2.381 375 L HA 0.616 4.956 4.340 -0.000 0.000 0.274 375 L C -0.521 176.547 176.870 0.330 0.000 0.988 375 L CA -0.562 54.518 54.840 0.401 0.000 0.824 375 L CB 2.259 44.557 42.059 0.399 0.000 1.263 375 L HN 0.832 nan 8.230 nan 0.000 0.410 376 T N 0.096 114.845 114.554 0.325 0.000 3.064 376 T HA 0.436 4.786 4.350 -0.000 0.000 0.367 376 T C -2.643 172.169 174.700 0.186 0.000 1.202 376 T CA -2.004 60.235 62.100 0.232 0.000 1.133 376 T CB 1.068 70.030 68.868 0.158 0.000 1.074 376 T HN 0.181 nan 8.240 nan 0.000 0.519 377 P HA 0.262 nan 4.420 nan 0.000 0.271 377 P C -0.798 176.561 177.300 0.098 0.000 1.218 377 P CA -0.235 62.931 63.100 0.111 0.000 0.780 377 P CB 0.744 32.508 31.700 0.106 0.000 0.901 378 N N 0.095 118.840 118.700 0.075 0.000 2.455 378 N HA 0.425 5.164 4.740 -0.000 0.000 0.278 378 N C -1.651 173.896 175.510 0.061 0.000 1.291 378 N CA -1.050 52.039 53.050 0.065 0.000 0.780 378 N CB 1.186 39.700 38.487 0.046 0.000 1.520 378 N HN -0.017 nan 8.380 nan 0.000 0.486 379 V N 1.396 121.364 119.914 0.089 0.000 2.333 379 V HA 0.243 4.363 4.120 -0.000 0.000 0.274 379 V C 1.321 177.482 176.094 0.111 0.000 1.028 379 V CA -0.205 62.175 62.300 0.132 0.000 0.851 379 V CB 0.540 32.477 31.823 0.191 0.000 1.000 379 V HN 1.050 nan 8.190 nan 0.000 0.456 380 T N 0.839 115.433 114.554 0.067 0.000 2.951 380 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 380 T C 0.616 175.259 174.700 -0.095 0.000 1.073 380 T CA 0.997 63.029 62.100 -0.113 0.000 1.134 380 T CB -0.204 68.660 68.868 -0.008 0.000 0.884 380 T HN 0.689 nan 8.240 nan 0.000 0.479 381 H N 0.917 120.075 119.070 0.147 0.000 2.429 381 H HA 0.689 5.245 4.556 -0.000 0.000 0.231 381 H C -0.111 175.261 175.328 0.073 0.000 1.416 381 H CA -0.549 55.575 56.048 0.128 0.000 1.443 381 H CB 0.210 30.028 29.762 0.094 0.000 1.591 381 H HN 0.493 nan 8.280 nan 0.000 0.507 382 A N 1.149 124.072 122.820 0.171 0.000 2.462 382 A HA 0.183 4.503 4.320 -0.000 0.000 0.243 382 A C 1.088 178.697 177.584 0.041 0.000 1.076 382 A CA -0.292 51.815 52.037 0.116 0.000 0.773 382 A CB 0.465 19.518 19.000 0.088 0.000 1.010 382 A HN 0.804 nan 8.150 nan 0.000 0.493 383 R N 1.263 121.763 120.500 -0.000 0.000 2.312 383 R HA 0.085 4.425 4.340 -0.000 0.000 0.205 383 R C 0.138 176.440 176.300 0.003 0.000 0.904 383 R CA 0.147 56.234 56.100 -0.022 0.000 1.052 383 R CB 0.109 30.367 30.300 -0.070 0.000 1.014 383 R HN 0.668 nan 8.270 nan 0.000 0.503 384 S N 1.742 117.442 115.700 -0.001 0.000 2.552 384 S HA 0.126 4.596 4.470 -0.000 0.000 0.289 384 S C 0.168 174.738 174.600 -0.050 0.000 1.304 384 S CA 0.128 58.307 58.200 -0.034 0.000 1.063 384 S CB 0.640 63.791 63.200 -0.083 0.000 0.848 384 S HN 0.108 nan 8.310 nan 0.000 0.499 385 R N 1.615 122.080 120.500 -0.057 0.000 2.476 385 R HA 0.587 4.927 4.340 -0.000 0.000 0.305 385 R C 0.405 176.636 176.300 -0.114 0.000 0.965 385 R CA -0.430 55.629 56.100 -0.069 0.000 0.867 385 R CB 1.486 31.774 30.300 -0.018 0.000 1.176 385 R HN 0.777 nan 8.270 nan 0.000 0.447 386 G N 0.345 109.049 108.800 -0.159 0.000 2.971 386 G HA2 0.617 4.577 3.960 -0.000 0.000 0.235 386 G HA3 0.617 4.577 3.960 -0.000 0.000 0.235 386 G C -0.801 173.987 174.900 -0.187 0.000 1.351 386 G CA -0.311 44.679 45.100 -0.183 0.000 1.039 386 G HN 0.471 nan 8.290 nan 0.000 0.563 387 T N -2.992 111.450 114.554 -0.187 0.000 2.906 387 T HA 0.649 4.998 4.350 -0.000 0.000 0.295 387 T C -1.093 173.492 174.700 -0.191 0.000 1.061 387 T CA -0.666 61.316 62.100 -0.197 0.000 1.000 387 T CB 1.898 70.648 68.868 -0.196 0.000 1.103 387 T HN 0.479 nan 8.240 nan 0.000 0.486 388 V N 2.170 121.966 119.914 -0.198 0.000 2.448 388 V HA 0.703 4.823 4.120 -0.000 0.000 0.295 388 V C -0.137 175.859 176.094 -0.163 0.000 1.025 388 V CA -0.815 61.373 62.300 -0.187 0.000 0.859 388 V CB 1.405 33.103 31.823 -0.208 0.000 0.988 388 V HN 0.893 nan 8.190 nan 0.000 0.431 389 R N 3.601 124.028 120.500 -0.122 0.000 2.799 389 R HA 0.654 4.994 4.340 -0.000 0.000 0.270 389 R C -1.462 174.869 176.300 0.053 0.000 1.010 389 R CA -1.080 55.003 56.100 -0.028 0.000 0.916 389 R CB 2.057 32.249 30.300 -0.180 0.000 1.228 389 R HN 0.485 nan 8.270 nan 0.000 0.469 390 L N 1.912 123.246 121.223 0.185 0.000 2.416 390 L HA 0.262 4.602 4.340 -0.000 0.000 0.272 390 L C 1.773 178.538 176.870 -0.174 0.000 1.161 390 L CA 0.002 54.786 54.840 -0.093 0.000 0.845 390 L CB 0.603 42.476 42.059 -0.309 0.000 1.119 390 L HN 0.628 nan 8.230 nan 0.000 0.464 391 R N 1.443 121.841 120.500 -0.169 0.000 2.119 391 R HA -0.034 4.306 4.340 -0.000 0.000 0.222 391 R C 0.554 176.712 176.300 -0.236 0.000 1.088 391 R CA 1.091 57.121 56.100 -0.115 0.000 0.984 391 R CB 0.377 30.650 30.300 -0.045 0.000 0.884 391 R HN 0.897 nan 8.270 nan 0.000 0.447 392 S N -1.952 113.523 115.700 -0.375 0.000 2.703 392 S HA 0.132 4.602 4.470 -0.000 0.000 0.273 392 S C -0.068 174.369 174.600 -0.272 0.000 1.178 392 S CA -0.957 57.049 58.200 -0.324 0.000 0.838 392 S CB 0.792 63.949 63.200 -0.071 0.000 1.178 392 S HN 0.337 nan 8.310 nan 0.000 0.494 393 R N 0.071 120.512 120.500 -0.099 0.000 2.320 393 R HA 0.233 4.573 4.340 -0.000 0.000 0.211 393 R C -0.428 175.884 176.300 0.020 0.000 0.931 393 R CA 0.161 56.241 56.100 -0.034 0.000 1.071 393 R CB -0.390 29.924 30.300 0.024 0.000 1.025 393 R HN 0.531 nan 8.270 nan 0.000 0.495 394 D N 1.291 121.693 120.400 0.004 0.000 2.329 394 D HA -0.022 4.618 4.640 -0.000 0.000 0.232 394 D C 0.788 177.082 176.300 -0.010 0.000 1.088 394 D CA -1.157 52.858 54.000 0.025 0.000 0.835 394 D CB 0.693 41.481 40.800 -0.019 0.000 1.078 394 D HN 0.229 nan 8.370 nan 0.000 0.495 395 F N 3.323 123.267 119.950 -0.011 0.000 2.449 395 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 395 F C 1.441 177.241 175.800 -0.000 0.000 1.092 395 F CA 0.572 58.561 58.000 -0.018 0.000 1.446 395 F CB -0.156 38.834 39.000 -0.016 0.000 1.084 395 F HN 0.214 nan 8.300 nan 0.000 0.567 396 R N 0.230 120.304 120.500 -0.710 0.000 2.210 396 R HA 0.024 4.364 4.340 -0.000 0.000 0.203 396 R C -0.185 176.003 176.300 -0.187 0.000 1.010 396 R CA 0.400 56.144 56.100 -0.593 0.000 1.008 396 R CB -0.287 29.608 30.300 -0.675 0.000 0.923 396 R HN 0.214 nan 8.270 nan 0.000 0.469 397 D N 2.414 122.742 120.400 -0.120 0.000 2.343 397 D HA 0.034 4.674 4.640 -0.000 0.000 0.255 397 D C -0.301 176.009 176.300 0.016 0.000 1.187 397 D CA 0.280 54.261 54.000 -0.033 0.000 0.875 397 D CB 0.765 41.542 40.800 -0.039 0.000 1.136 397 D HN -0.060 nan 8.370 nan 0.000 0.469 398 K N 4.090 124.540 120.400 0.085 0.000 2.550 398 K HA 0.015 4.335 4.320 -0.000 0.000 0.280 398 K C -1.948 174.692 176.600 0.066 0.000 0.987 398 K CA -0.692 55.705 56.287 0.182 0.000 1.048 398 K CB 0.037 32.703 32.500 0.277 0.000 0.879 398 K HN 0.302 nan 8.250 nan 0.000 0.491 399 P HA -0.042 nan 4.420 nan 0.000 0.271 399 P C -0.538 176.719 177.300 -0.072 0.000 1.244 399 P CA 0.099 63.130 63.100 -0.116 0.000 0.793 399 P CB 0.550 32.094 31.700 -0.260 0.000 0.984 400 M N 0.780 120.339 119.600 -0.069 0.000 2.080 400 M HA 0.212 4.692 4.480 -0.000 0.000 0.350 400 M C -0.650 175.605 176.300 -0.076 0.000 1.143 400 M CA -0.610 54.666 55.300 -0.040 0.000 1.064 400 M CB 0.742 33.335 32.600 -0.012 0.000 1.429 400 M HN -0.018 nan 8.290 nan 0.000 0.418 401 V N 2.529 122.406 119.914 -0.062 0.000 2.334 401 V HA 0.196 4.316 4.120 -0.000 0.000 0.267 401 V C -0.403 175.659 176.094 -0.053 0.000 1.040 401 V CA -0.314 61.932 62.300 -0.090 0.000 0.866 401 V CB 0.992 32.768 31.823 -0.080 0.000 1.019 401 V HN 0.616 nan 8.190 nan 0.000 0.468 402 D N 7.063 127.402 120.400 -0.101 0.000 2.446 402 D HA 0.428 5.068 4.640 -0.000 0.000 0.251 402 D C -1.952 174.235 176.300 -0.189 0.000 1.137 402 D CA -2.007 51.930 54.000 -0.105 0.000 0.890 402 D CB 2.419 43.167 40.800 -0.087 0.000 1.071 402 D HN 0.191 nan 8.370 nan 0.000 0.528 403 P HA 0.022 nan 4.420 nan 0.000 0.231 403 P C -0.307 176.686 177.300 -0.511 0.000 1.168 403 P CA 0.169 62.962 63.100 -0.512 0.000 0.779 403 P CB 0.232 31.319 31.700 -1.023 0.000 0.844 404 R N -2.339 117.944 120.500 -0.360 0.000 3.336 404 R HA -0.192 4.148 4.340 -0.000 0.000 0.260 404 R C -0.641 175.567 176.300 -0.153 0.000 1.032 404 R CA 0.221 56.217 56.100 -0.173 0.000 0.693 404 R CB -3.231 27.004 30.300 -0.109 0.000 1.134 404 R HN 0.353 nan 8.270 nan 0.000 0.433 405 Y N 0.881 121.154 120.300 -0.045 0.000 2.895 405 Y HA -0.146 4.403 4.550 -0.000 0.000 0.334 405 Y C 1.344 177.185 175.900 -0.098 0.000 1.261 405 Y CA 0.776 58.728 58.100 -0.247 0.000 1.560 405 Y CB 0.060 38.369 38.460 -0.252 0.000 1.253 405 Y HN 0.204 nan 8.280 nan 0.000 0.582 406 F N 0.698 120.741 119.950 0.156 0.000 3.040 406 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 406 F C 0.851 176.700 175.800 0.080 0.000 0.948 406 F CA 0.973 59.029 58.000 0.093 0.000 1.022 406 F CB -2.187 36.846 39.000 0.054 0.000 1.023 406 F HN 0.620 nan 8.300 nan 0.000 0.742 407 T N -4.047 110.603 114.554 0.160 0.000 3.111 407 T HA 0.131 4.481 4.350 -0.000 0.000 0.284 407 T C 0.211 174.963 174.700 0.086 0.000 0.983 407 T CA 0.053 62.221 62.100 0.113 0.000 0.900 407 T CB 0.121 69.030 68.868 0.067 0.000 1.132 407 T HN 0.477 nan 8.240 nan 0.000 0.531 408 D N 2.305 122.765 120.400 0.099 0.000 2.424 408 D HA 0.081 4.721 4.640 -0.000 0.000 0.244 408 D C -1.694 174.662 176.300 0.093 0.000 1.134 408 D CA -1.216 52.835 54.000 0.085 0.000 0.881 408 D CB 1.711 42.570 40.800 0.097 0.000 1.191 408 D HN 0.035 nan 8.370 nan 0.000 0.445 409 P HA -0.159 nan 4.420 nan 0.000 0.215 409 P C 0.615 177.959 177.300 0.074 0.000 1.153 409 P CA 1.318 64.456 63.100 0.064 0.000 0.853 409 P CB 0.078 31.807 31.700 0.048 0.000 0.788 410 E N -1.043 119.209 120.200 0.087 0.000 2.494 410 E HA 0.253 4.603 4.350 -0.000 0.000 0.193 410 E C 1.136 177.806 176.600 0.116 0.000 1.074 410 E CA 0.375 56.831 56.400 0.095 0.000 0.867 410 E CB -0.755 29.006 29.700 0.102 0.000 0.924 410 E HN 0.153 nan 8.360 nan 0.000 0.502 411 G N 1.808 110.687 108.800 0.132 0.000 2.283 411 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.280 411 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.280 411 G C 0.513 175.513 174.900 0.167 0.000 1.029 411 G CA 1.037 46.223 45.100 0.143 0.000 0.840 411 G HN 0.617 nan 8.290 nan 0.000 0.505 412 H N 0.019 119.150 119.070 0.103 0.000 2.289 412 H HA -0.100 4.455 4.556 -0.000 0.000 0.296 412 H C 2.293 177.706 175.328 0.141 0.000 1.091 412 H CA 2.457 58.568 56.048 0.106 0.000 1.274 412 H CB 0.149 29.969 29.762 0.096 0.000 1.364 412 H HN 0.406 nan 8.280 nan 0.000 0.490 413 D N -0.017 120.607 120.400 0.373 0.000 2.097 413 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 413 D C 2.222 178.753 176.300 0.385 0.000 0.989 413 D CA 1.312 55.543 54.000 0.385 0.000 0.827 413 D CB -0.472 40.501 40.800 0.287 0.000 0.966 413 D HN 0.394 nan 8.370 nan 0.000 0.456 414 M N 0.522 120.352 119.600 0.384 0.000 2.213 414 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 414 M C 1.949 178.269 176.300 0.033 0.000 1.062 414 M CA 1.246 56.615 55.300 0.115 0.000 1.105 414 M CB 0.001 32.613 32.600 0.021 0.000 1.385 414 M HN -0.149 nan 8.290 nan 0.000 0.417 415 R N -0.901 119.616 120.500 0.029 0.000 2.070 415 R HA -0.114 4.226 4.340 -0.000 0.000 0.233 415 R C 1.874 178.149 176.300 -0.041 0.000 1.137 415 R CA 1.982 58.067 56.100 -0.025 0.000 0.945 415 R CB -0.527 29.739 30.300 -0.057 0.000 0.845 415 R HN 0.319 nan 8.270 nan 0.000 0.430 416 V N 1.189 121.053 119.914 -0.083 0.000 2.295 416 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 416 V C 2.419 178.533 176.094 0.032 0.000 1.049 416 V CA 1.930 64.203 62.300 -0.046 0.000 1.024 416 V CB -0.435 31.349 31.823 -0.065 0.000 0.648 416 V HN 0.420 nan 8.190 nan 0.000 0.447 417 M N -0.039 119.609 119.600 0.079 0.000 2.080 417 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 417 M C 2.006 178.332 176.300 0.043 0.000 1.068 417 M CA 1.917 57.271 55.300 0.090 0.000 1.109 417 M CB -0.723 31.949 32.600 0.120 0.000 1.342 417 M HN 0.121 nan 8.290 nan 0.000 0.405 418 V N 0.419 120.340 119.914 0.011 0.000 2.287 418 V HA -0.282 3.837 4.120 -0.000 0.000 0.248 418 V C 2.545 178.653 176.094 0.023 0.000 1.053 418 V CA 1.941 64.247 62.300 0.009 0.000 1.027 418 V CB -1.569 30.249 31.823 -0.009 0.000 0.646 418 V HN 0.663 nan 8.190 nan 0.000 0.447 419 A N 0.190 123.021 122.820 0.019 0.000 1.972 419 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 419 A C 2.383 179.992 177.584 0.042 0.000 1.169 419 A CA 1.894 53.946 52.037 0.025 0.000 0.635 419 A CB -1.099 17.910 19.000 0.015 0.000 0.810 419 A HN 0.547 nan 8.150 nan 0.000 0.446 420 G N 0.113 108.945 108.800 0.052 0.000 2.421 420 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 420 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 420 G C 1.519 176.469 174.900 0.083 0.000 1.171 420 G CA 1.084 46.225 45.100 0.069 0.000 0.775 420 G HN 0.473 nan 8.290 nan 0.000 0.543 421 I N 0.218 120.837 120.570 0.082 0.000 2.208 421 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 421 I C 3.078 179.242 176.117 0.078 0.000 1.097 421 I CA 1.065 62.417 61.300 0.087 0.000 1.363 421 I CB -0.171 37.874 38.000 0.075 0.000 1.051 421 I HN 0.109 nan 8.210 nan 0.000 0.413 422 R N 0.428 120.963 120.500 0.059 0.000 2.073 422 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 422 R C 2.333 178.673 176.300 0.067 0.000 1.134 422 R CA 1.234 57.367 56.100 0.054 0.000 0.952 422 R CB -0.319 30.004 30.300 0.037 0.000 0.850 422 R HN 0.100 nan 8.270 nan 0.000 0.433 423 K N 1.039 121.478 120.400 0.065 0.000 2.057 423 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 423 K C 1.852 178.500 176.600 0.081 0.000 1.050 423 K CA 1.488 57.812 56.287 0.062 0.000 0.935 423 K CB -0.430 32.102 32.500 0.053 0.000 0.715 423 K HN 0.138 nan 8.250 nan 0.000 0.439 424 A N 1.052 123.939 122.820 0.111 0.000 1.869 424 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 424 A C 2.204 179.904 177.584 0.194 0.000 1.203 424 A CA 2.301 54.438 52.037 0.166 0.000 0.638 424 A CB -0.713 18.415 19.000 0.212 0.000 0.831 424 A HN 0.402 nan 8.150 nan 0.000 0.450 425 R N -0.786 119.841 120.500 0.213 0.000 2.105 425 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 425 R C 2.371 178.746 176.300 0.125 0.000 1.135 425 R CA 1.612 57.850 56.100 0.231 0.000 0.967 425 R CB -0.317 30.089 30.300 0.176 0.000 0.861 425 R HN 0.847 nan 8.270 nan 0.000 0.442 426 E N 0.864 121.115 120.200 0.085 0.000 2.077 426 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 426 E C 1.840 178.458 176.600 0.029 0.000 0.989 426 E CA 1.218 57.649 56.400 0.051 0.000 0.800 426 E CB -0.022 29.702 29.700 0.040 0.000 0.746 426 E HN 0.296 nan 8.360 nan 0.000 0.452 427 I N 1.186 121.772 120.570 0.026 0.000 2.202 427 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 427 I C 2.540 178.631 176.117 -0.043 0.000 1.091 427 I CA 1.184 62.478 61.300 -0.011 0.000 1.368 427 I CB -0.262 37.729 38.000 -0.015 0.000 1.058 427 I HN 0.165 nan 8.210 nan 0.000 0.410 428 A N 0.374 123.159 122.820 -0.058 0.000 2.121 428 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 428 A C 2.118 179.639 177.584 -0.106 0.000 1.154 428 A CA 1.419 53.354 52.037 -0.170 0.000 0.679 428 A CB -0.574 18.115 19.000 -0.519 0.000 0.795 428 A HN 0.413 nan 8.150 nan 0.000 0.458 429 A N -0.875 121.928 122.820 -0.028 0.000 2.415 429 A HA 0.312 4.632 4.320 -0.000 0.000 0.248 429 A C 0.610 178.194 177.584 0.001 0.000 1.299 429 A CA -0.283 51.757 52.037 0.006 0.000 0.899 429 A CB -0.045 18.980 19.000 0.043 0.000 0.997 429 A HN 0.399 nan 8.150 nan 0.000 0.506 430 Q N 0.109 119.900 119.800 -0.016 0.000 2.306 430 Q HA 0.205 4.545 4.340 -0.000 0.000 0.241 430 Q C -1.655 174.337 176.000 -0.013 0.000 0.948 430 Q CA -2.101 53.693 55.803 -0.016 0.000 0.886 430 Q CB 0.677 29.399 28.738 -0.027 0.000 1.227 430 Q HN 0.109 nan 8.270 nan 0.000 0.457 431 P HA -0.177 nan 4.420 nan 0.000 0.216 431 P C 0.743 178.040 177.300 -0.006 0.000 1.153 431 P CA 1.900 64.996 63.100 -0.006 0.000 0.858 431 P CB 0.098 31.794 31.700 -0.007 0.000 0.789 432 A N -1.066 121.747 122.820 -0.012 0.000 2.019 432 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 432 A C 2.058 179.650 177.584 0.012 0.000 1.164 432 A CA 1.511 53.543 52.037 -0.009 0.000 0.644 432 A CB -1.133 17.850 19.000 -0.029 0.000 0.805 432 A HN 0.075 nan 8.150 nan 0.000 0.449 433 M N -1.052 118.547 119.600 -0.002 0.000 2.502 433 M HA 0.180 4.660 4.480 -0.000 0.000 0.243 433 M C 2.233 178.572 176.300 0.065 0.000 1.130 433 M CA 0.668 55.981 55.300 0.022 0.000 1.055 433 M CB -1.048 31.520 32.600 -0.054 0.000 1.457 433 M HN 0.486 nan 8.290 nan 0.000 0.488 434 A N 1.572 124.409 122.820 0.029 0.000 1.940 434 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 434 A C 1.913 179.490 177.584 -0.011 0.000 1.190 434 A CA 2.399 54.444 52.037 0.012 0.000 0.647 434 A CB -0.822 18.176 19.000 -0.004 0.000 0.821 434 A HN 0.706 nan 8.150 nan 0.000 0.457 435 E N -2.569 117.595 120.200 -0.059 0.000 2.482 435 E HA -0.090 4.259 4.350 -0.000 0.000 0.196 435 E C 1.347 177.711 176.600 -0.393 0.000 1.047 435 E CA 0.610 56.866 56.400 -0.241 0.000 0.869 435 E CB -0.211 29.291 29.700 -0.329 0.000 0.836 435 E HN 0.838 nan 8.360 nan 0.000 0.520 436 W N 0.922 122.213 121.300 -0.014 0.000 3.033 436 W HA 0.204 4.864 4.660 -0.000 0.000 0.250 436 W C 0.512 177.124 176.519 0.155 0.000 1.105 436 W CA -0.007 57.351 57.345 0.021 0.000 1.655 436 W CB -0.183 29.202 29.460 -0.125 0.000 1.001 436 W HN -0.259 nan 8.180 nan 0.000 0.653 437 T N 1.833 116.583 114.554 0.326 0.000 2.758 437 T HA 0.342 4.692 4.350 -0.000 0.000 0.281 437 T C 0.617 175.457 174.700 0.233 0.000 0.963 437 T CA 0.615 62.896 62.100 0.302 0.000 1.201 437 T CB 0.151 69.065 68.868 0.076 0.000 0.906 437 T HN 0.166 nan 8.240 nan 0.000 0.528 438 G N 2.329 111.297 108.800 0.281 0.000 2.782 438 G HA2 0.439 4.399 3.960 -0.000 0.000 0.201 438 G HA3 0.439 4.399 3.960 -0.000 0.000 0.201 438 G C -0.059 174.980 174.900 0.232 0.000 1.374 438 G CA -0.950 44.273 45.100 0.206 0.000 1.039 438 G HN 0.719 nan 8.290 nan 0.000 0.576 439 R N 0.646 121.237 120.500 0.151 0.000 2.640 439 R HA 0.050 4.390 4.340 -0.000 0.000 0.270 439 R C 0.043 176.395 176.300 0.086 0.000 1.024 439 R CA 0.093 56.257 56.100 0.107 0.000 1.085 439 R CB 0.266 30.596 30.300 0.050 0.000 0.963 439 R HN 0.573 nan 8.270 nan 0.000 0.426 440 E N 4.608 124.805 120.200 -0.004 0.000 2.257 440 E HA 0.010 4.360 4.350 -0.000 0.000 0.278 440 E C 0.435 176.870 176.600 -0.274 0.000 1.049 440 E CA -0.288 55.903 56.400 -0.348 0.000 0.876 440 E CB 0.704 30.172 29.700 -0.387 0.000 1.035 440 E HN 0.648 nan 8.360 nan 0.000 0.419 441 L N 3.056 124.086 121.223 -0.321 0.000 2.145 441 L HA 0.092 4.432 4.340 -0.000 0.000 0.201 441 L C 1.069 177.857 176.870 -0.138 0.000 1.075 441 L CA 0.307 55.055 54.840 -0.153 0.000 0.773 441 L CB -0.197 41.803 42.059 -0.098 0.000 0.936 441 L HN 0.503 nan 8.230 nan 0.000 0.451 442 S N -1.171 114.354 115.700 -0.292 0.000 2.538 442 S HA 0.430 4.900 4.470 -0.000 0.000 0.288 442 S C -2.332 171.928 174.600 -0.567 0.000 1.108 442 S CA -1.229 56.701 58.200 -0.449 0.000 0.971 442 S CB 2.187 65.096 63.200 -0.486 0.000 1.041 442 S HN -0.160 nan 8.310 nan 0.000 0.483 443 P HA 0.242 nan 4.420 nan 0.000 0.236 443 P C 0.803 177.884 177.300 -0.364 0.000 1.177 443 P CA 0.996 63.440 63.100 -1.093 0.000 0.773 443 P CB -0.488 30.286 31.700 -1.544 0.000 0.878 444 G N 0.125 108.748 108.800 -0.295 0.000 2.712 444 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.686 444 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.686 444 G C 0.512 175.336 174.900 -0.128 0.000 1.181 444 G CA -0.463 44.551 45.100 -0.145 0.000 0.762 444 G HN 0.068 nan 8.290 nan 0.000 0.641 445 V N -1.127 118.739 119.914 -0.079 0.000 2.867 445 V HA -0.056 4.064 4.120 -0.000 0.000 0.260 445 V C 2.098 178.170 176.094 -0.036 0.000 1.099 445 V CA 2.662 64.935 62.300 -0.045 0.000 1.122 445 V CB -0.631 31.184 31.823 -0.013 0.000 0.708 445 V HN 0.813 nan 8.190 nan 0.000 0.490 446 E N 1.710 121.888 120.200 -0.036 0.000 2.153 446 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 446 E C 1.332 177.914 176.600 -0.031 0.000 0.988 446 E CA 0.957 57.342 56.400 -0.026 0.000 0.811 446 E CB -0.201 29.487 29.700 -0.020 0.000 0.746 446 E HN 0.759 nan 8.360 nan 0.000 0.466 447 A N 1.127 123.914 122.820 -0.055 0.000 2.376 447 A HA 0.143 4.463 4.320 -0.000 0.000 0.298 447 A C 0.560 178.111 177.584 -0.054 0.000 1.271 447 A CA -0.069 51.930 52.037 -0.062 0.000 0.926 447 A CB 0.740 19.665 19.000 -0.125 0.000 1.141 447 A HN 0.019 nan 8.150 nan 0.000 0.539 448 Q N 1.002 120.785 119.800 -0.028 0.000 2.360 448 Q HA 0.095 4.434 4.340 -0.000 0.000 0.261 448 Q C 1.083 177.078 176.000 -0.008 0.000 0.802 448 Q CA 1.161 56.954 55.803 -0.017 0.000 0.983 448 Q CB 0.681 29.413 28.738 -0.010 0.000 1.211 448 Q HN 0.848 nan 8.270 nan 0.000 0.523 449 T N -1.382 113.169 114.554 -0.004 0.000 2.788 449 T HA 0.158 4.508 4.350 -0.000 0.000 0.280 449 T C 0.517 175.217 174.700 0.001 0.000 0.984 449 T CA -0.139 61.962 62.100 0.001 0.000 0.972 449 T CB 0.613 69.483 68.868 0.003 0.000 1.039 449 T HN -0.060 nan 8.240 nan 0.000 0.530 450 D N 0.199 120.601 120.400 0.003 0.000 2.097 450 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 450 D C 2.183 178.484 176.300 0.001 0.000 0.989 450 D CA 1.212 55.213 54.000 0.002 0.000 0.827 450 D CB -0.059 40.743 40.800 0.003 0.000 0.966 450 D HN 0.691 nan 8.370 nan 0.000 0.456 451 E N 0.692 120.895 120.200 0.005 0.000 2.150 451 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 451 E C 1.935 178.543 176.600 0.012 0.000 0.985 451 E CA 0.617 57.022 56.400 0.007 0.000 0.814 451 E CB -0.158 29.547 29.700 0.010 0.000 0.752 451 E HN 0.497 nan 8.360 nan 0.000 0.466 452 E N 0.847 121.055 120.200 0.014 0.000 2.047 452 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 452 E C 2.300 178.924 176.600 0.040 0.000 0.987 452 E CA 0.616 57.029 56.400 0.023 0.000 0.799 452 E CB -0.030 29.676 29.700 0.010 0.000 0.752 452 E HN 0.153 nan 8.360 nan 0.000 0.449 453 L N 0.755 121.994 121.223 0.026 0.000 2.109 453 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 453 L C 2.413 179.313 176.870 0.050 0.000 1.086 453 L CA 1.012 55.883 54.840 0.052 0.000 0.760 453 L CB -0.266 41.806 42.059 0.021 0.000 0.910 453 L HN 0.132 nan 8.230 nan 0.000 0.437 454 Q N -0.411 119.385 119.800 -0.006 0.000 2.291 454 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 454 Q C 1.496 177.464 176.000 -0.055 0.000 0.976 454 Q CA 1.737 57.501 55.803 -0.064 0.000 0.875 454 Q CB -0.073 28.634 28.738 -0.051 0.000 0.927 454 Q HN 0.520 nan 8.270 nan 0.000 0.450 455 D N -0.682 119.723 120.400 0.007 0.000 2.240 455 D HA -0.156 4.484 4.640 -0.000 0.000 0.206 455 D C 1.590 177.909 176.300 0.030 0.000 0.963 455 D CA 0.309 54.319 54.000 0.018 0.000 0.863 455 D CB -0.018 40.806 40.800 0.040 0.000 0.973 455 D HN 0.297 nan 8.370 nan 0.000 0.501 456 Y N 0.372 120.633 120.300 -0.064 0.000 2.373 456 Y HA 0.038 4.588 4.550 -0.000 0.000 0.293 456 Y C 1.683 177.512 175.900 -0.119 0.000 1.129 456 Y CA 1.106 59.158 58.100 -0.080 0.000 1.226 456 Y CB -0.004 38.411 38.460 -0.074 0.000 1.000 456 Y HN 0.003 nan 8.280 nan 0.000 0.549 457 I N 0.118 120.562 120.570 -0.209 0.000 2.193 457 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 457 I C 2.459 178.445 176.117 -0.217 0.000 1.084 457 I CA 1.296 62.403 61.300 -0.321 0.000 1.365 457 I CB -0.368 37.409 38.000 -0.372 0.000 1.064 457 I HN 0.067 nan 8.210 nan 0.000 0.410 458 R N 0.669 121.073 120.500 -0.160 0.000 2.133 458 R HA -0.253 4.087 4.340 -0.000 0.000 0.247 458 R C 2.209 178.504 176.300 -0.009 0.000 1.151 458 R CA 1.747 57.848 56.100 0.002 0.000 0.971 458 R CB -0.239 30.063 30.300 0.003 0.000 0.866 458 R HN 0.295 nan 8.270 nan 0.000 0.447 459 K N -1.192 119.101 120.400 -0.177 0.000 2.137 459 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 459 K C 1.400 177.769 176.600 -0.386 0.000 1.052 459 K CA 1.557 57.634 56.287 -0.350 0.000 0.961 459 K CB 0.501 32.645 32.500 -0.594 0.000 0.741 459 K HN 0.284 nan 8.250 nan 0.000 0.452 460 T N -2.138 112.157 114.554 -0.433 0.000 3.170 460 T HA 0.104 4.454 4.350 -0.000 0.000 0.288 460 T C -0.047 174.448 174.700 -0.341 0.000 0.992 460 T CA -0.659 61.174 62.100 -0.445 0.000 0.909 460 T CB -0.411 68.018 68.868 -0.733 0.000 1.133 460 T HN 0.215 nan 8.240 nan 0.000 0.530 461 H N 0.727 119.643 119.070 -0.257 0.000 2.551 461 H HA 0.772 5.328 4.556 -0.000 0.000 0.358 461 H C 0.154 175.389 175.328 -0.156 0.000 1.151 461 H CA -0.496 55.444 56.048 -0.180 0.000 1.374 461 H CB 0.541 30.245 29.762 -0.096 0.000 1.473 461 H HN 0.054 nan 8.280 nan 0.000 0.574 462 N N -0.368 118.341 118.700 0.015 0.000 3.040 462 N HA 0.391 5.131 4.740 -0.000 0.000 0.339 462 N C -0.976 174.442 175.510 -0.153 0.000 1.387 462 N CA -0.085 52.898 53.050 -0.111 0.000 0.745 462 N CB 1.630 40.091 38.487 -0.044 0.000 1.237 462 N HN 0.831 nan 8.380 nan 0.000 0.565 463 T N -1.316 113.008 114.554 -0.382 0.000 2.896 463 T HA 0.409 4.759 4.350 -0.000 0.000 0.297 463 T C 0.433 174.789 174.700 -0.574 0.000 1.108 463 T CA -0.657 61.192 62.100 -0.419 0.000 1.004 463 T CB 0.844 69.454 68.868 -0.431 0.000 1.159 463 T HN 0.039 nan 8.240 nan 0.000 0.499 464 V N 2.721 122.368 119.914 -0.444 0.000 3.380 464 V HA 0.125 4.245 4.120 -0.000 0.000 0.268 464 V C 0.264 176.001 176.094 -0.595 0.000 1.168 464 V CA 0.606 62.565 62.300 -0.568 0.000 1.156 464 V CB -1.958 29.509 31.823 -0.594 0.000 0.785 464 V HN 1.040 nan 8.190 nan 0.000 0.487 465 Y N -1.239 118.881 120.300 -0.300 0.000 4.095 465 Y HA -0.195 4.355 4.550 -0.000 0.000 0.240 465 Y C 0.533 176.549 175.900 0.194 0.000 1.276 465 Y CA 0.351 58.455 58.100 0.007 0.000 2.014 465 Y CB -2.882 35.609 38.460 0.053 0.000 1.616 465 Y HN 0.582 nan 8.280 nan 0.000 0.703 466 H N -0.397 118.843 119.070 0.283 0.000 2.474 466 H HA 0.268 4.823 4.556 -0.000 0.000 0.250 466 H C -2.326 173.069 175.328 0.113 0.000 1.307 466 H CA -2.158 54.022 56.048 0.220 0.000 1.058 466 H CB 0.514 30.424 29.762 0.246 0.000 1.693 466 H HN 0.031 nan 8.280 nan 0.000 0.552 467 P HA 0.131 nan 4.420 nan 0.000 0.275 467 P C -0.091 177.118 177.300 -0.152 0.000 1.228 467 P CA -0.104 62.981 63.100 -0.026 0.000 0.786 467 P CB 2.483 34.099 31.700 -0.140 0.000 0.927 468 V N 0.719 120.473 119.914 -0.266 0.000 3.225 468 V HA 0.568 4.688 4.120 -0.000 0.000 0.293 468 V C 0.672 176.584 176.094 -0.303 0.000 1.405 468 V CA 0.314 62.403 62.300 -0.351 0.000 1.038 468 V CB 1.690 33.096 31.823 -0.694 0.000 1.123 468 V HN 0.791 nan 8.190 nan 0.000 0.447 469 G N 1.862 110.486 108.800 -0.293 0.000 2.157 469 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.239 469 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.239 469 G C 0.715 175.513 174.900 -0.170 0.000 0.982 469 G CA 1.212 46.154 45.100 -0.263 0.000 0.650 469 G HN 1.492 nan 8.290 nan 0.000 0.527 470 T N -2.300 112.152 114.554 -0.170 0.000 3.067 470 T HA 0.401 4.751 4.350 -0.000 0.000 0.261 470 T C 0.831 175.461 174.700 -0.115 0.000 1.110 470 T CA 1.096 63.110 62.100 -0.143 0.000 1.113 470 T CB 0.704 69.471 68.868 -0.169 0.000 0.917 470 T HN 0.850 nan 8.240 nan 0.000 0.499 471 V N 2.988 122.827 119.914 -0.124 0.000 2.462 471 V HA 0.346 4.466 4.120 -0.000 0.000 0.257 471 V C 0.127 176.136 176.094 -0.142 0.000 0.944 471 V CA -1.340 60.896 62.300 -0.106 0.000 0.903 471 V CB 0.280 32.041 31.823 -0.104 0.000 1.128 471 V HN 0.525 nan 8.190 nan 0.000 0.486 472 R N 3.442 123.859 120.500 -0.137 0.000 2.615 472 R HA 0.696 5.035 4.340 -0.000 0.000 0.270 472 R C 0.188 176.340 176.300 -0.247 0.000 1.081 472 R CA -0.586 55.365 56.100 -0.247 0.000 1.154 472 R CB 1.050 31.174 30.300 -0.294 0.000 1.063 472 R HN 0.610 nan 8.270 nan 0.000 0.519 473 M N 0.571 119.961 119.600 -0.351 0.000 2.291 473 M HA 0.664 5.144 4.480 -0.000 0.000 0.324 473 M C -0.200 175.952 176.300 -0.246 0.000 1.148 473 M CA 0.050 55.169 55.300 -0.300 0.000 1.104 473 M CB 1.692 34.033 32.600 -0.432 0.000 1.483 473 M HN 0.865 nan 8.290 nan 0.000 0.467 474 G N 0.461 109.178 108.800 -0.138 0.000 2.341 474 G HA2 0.565 4.525 3.960 -0.000 0.000 0.299 474 G HA3 0.565 4.525 3.960 -0.000 0.000 0.299 474 G C -1.922 172.966 174.900 -0.021 0.000 1.274 474 G CA -0.514 44.541 45.100 -0.076 0.000 0.853 474 G HN 1.073 nan 8.290 nan 0.000 0.493 475 A N -0.535 122.281 122.820 -0.007 0.000 2.425 475 A HA 0.542 4.862 4.320 -0.000 0.000 0.249 475 A C 1.643 179.230 177.584 0.005 0.000 1.084 475 A CA 0.351 52.394 52.037 0.009 0.000 0.781 475 A CB 0.890 19.894 19.000 0.008 0.000 1.019 475 A HN 1.385 nan 8.150 nan 0.000 0.490 476 V N 1.747 121.670 119.914 0.014 0.000 2.453 476 V HA -0.222 3.897 4.120 -0.000 0.000 0.252 476 V C 2.432 178.528 176.094 0.003 0.000 1.068 476 V CA 2.497 64.804 62.300 0.011 0.000 1.070 476 V CB -0.733 31.101 31.823 0.017 0.000 0.664 476 V HN 1.041 nan 8.190 nan 0.000 0.461 477 E N -0.228 119.973 120.200 0.003 0.000 2.474 477 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 477 E C 0.455 177.052 176.600 -0.004 0.000 1.041 477 E CA 0.010 56.410 56.400 -0.000 0.000 0.874 477 E CB -0.104 29.596 29.700 0.001 0.000 0.914 477 E HN 0.534 nan 8.360 nan 0.000 0.498 478 D N 2.227 122.623 120.400 -0.007 0.000 2.325 478 D HA 0.008 4.648 4.640 -0.000 0.000 0.251 478 D C 0.619 176.913 176.300 -0.010 0.000 1.196 478 D CA -0.074 53.920 54.000 -0.010 0.000 0.866 478 D CB 1.103 41.892 40.800 -0.018 0.000 1.101 478 D HN 0.004 nan 8.370 nan 0.000 0.476 479 E N 3.127 123.323 120.200 -0.006 0.000 2.285 479 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 479 E C 1.257 177.859 176.600 0.003 0.000 0.997 479 E CA 0.434 56.831 56.400 -0.005 0.000 0.845 479 E CB 0.186 29.883 29.700 -0.005 0.000 0.782 479 E HN 0.588 nan 8.360 nan 0.000 0.491 480 M N 0.378 119.987 119.600 0.015 0.000 2.618 480 M HA 0.056 4.536 4.480 -0.000 0.000 0.240 480 M C 0.534 176.869 176.300 0.059 0.000 1.123 480 M CA 0.529 55.864 55.300 0.059 0.000 1.060 480 M CB -0.020 32.641 32.600 0.101 0.000 1.535 480 M HN -0.261 nan 8.290 nan 0.000 0.507 481 S N 1.358 117.055 115.700 -0.006 0.000 2.474 481 S HA 0.261 4.731 4.470 -0.000 0.000 0.320 481 S C -1.603 172.975 174.600 -0.037 0.000 1.067 481 S CA -1.118 57.056 58.200 -0.043 0.000 1.127 481 S CB 1.365 64.520 63.200 -0.075 0.000 0.971 481 S HN 0.062 nan 8.310 nan 0.000 0.472 482 P HA -0.073 nan 4.420 nan 0.000 0.216 482 P C -0.208 177.068 177.300 -0.041 0.000 1.150 482 P CA 1.123 64.201 63.100 -0.038 0.000 0.843 482 P CB 0.108 31.781 31.700 -0.044 0.000 0.787 483 L N -0.443 120.745 121.223 -0.060 0.000 2.331 483 L HA 0.359 4.699 4.340 -0.000 0.000 0.275 483 L C 0.554 177.399 176.870 -0.042 0.000 1.022 483 L CA -1.343 53.466 54.840 -0.051 0.000 0.812 483 L CB 0.889 42.900 42.059 -0.081 0.000 1.257 483 L HN -0.108 nan 8.230 nan 0.000 0.435 484 D N 1.101 121.497 120.400 -0.008 0.000 2.411 484 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 484 D C -2.196 174.129 176.300 0.042 0.000 1.201 484 D CA -2.125 51.885 54.000 0.016 0.000 0.996 484 D CB 0.291 41.111 40.800 0.034 0.000 1.101 484 D HN 0.161 nan 8.370 nan 0.000 0.504 485 P HA -0.048 nan 4.420 nan 0.000 0.236 485 P C 0.109 177.605 177.300 0.326 0.000 1.172 485 P CA 0.948 64.170 63.100 0.203 0.000 0.759 485 P CB 0.094 31.924 31.700 0.217 0.000 0.843 486 E N -0.711 119.610 120.200 0.202 0.000 2.501 486 E HA 0.223 4.573 4.350 -0.000 0.000 0.200 486 E C 0.366 177.068 176.600 0.171 0.000 1.016 486 E CA -0.116 56.403 56.400 0.199 0.000 0.921 486 E CB 0.061 29.833 29.700 0.120 0.000 1.034 486 E HN 0.105 nan 8.360 nan 0.000 0.468 487 L N 0.122 121.427 121.223 0.137 0.000 4.560 487 L HA -0.256 4.084 4.340 -0.000 0.000 0.415 487 L C 0.071 176.970 176.870 0.049 0.000 1.123 487 L CA 0.604 55.487 54.840 0.071 0.000 0.991 487 L CB -1.568 40.558 42.059 0.111 0.000 2.127 487 L HN 0.168 nan 8.230 nan 0.000 0.765 488 R N 0.566 121.099 120.500 0.055 0.000 2.265 488 R HA 0.481 4.821 4.340 -0.000 0.000 0.314 488 R C 0.160 176.479 176.300 0.032 0.000 1.053 488 R CA -0.630 55.501 56.100 0.051 0.000 0.931 488 R CB 1.478 31.812 30.300 0.057 0.000 1.024 488 R HN -0.066 nan 8.270 nan 0.000 0.457 489 V N 4.820 124.757 119.914 0.037 0.000 2.485 489 V HA -0.041 4.079 4.120 -0.000 0.000 0.287 489 V C 0.541 176.644 176.094 0.014 0.000 1.022 489 V CA 0.282 62.595 62.300 0.022 0.000 1.067 489 V CB 0.047 31.897 31.823 0.045 0.000 0.967 489 V HN 0.631 nan 8.190 nan 0.000 0.479 490 K N 3.610 124.007 120.400 -0.005 0.000 2.326 490 K HA 0.479 4.799 4.320 -0.000 0.000 0.275 490 K C 1.211 177.794 176.600 -0.028 0.000 1.018 490 K CA 0.627 56.908 56.287 -0.010 0.000 0.962 490 K CB 0.602 33.094 32.500 -0.013 0.000 0.953 490 K HN 1.011 nan 8.250 nan 0.000 0.475 491 G N 0.197 108.981 108.800 -0.027 0.000 2.175 491 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 491 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 491 G C -0.221 174.638 174.900 -0.069 0.000 0.982 491 G CA -0.093 44.978 45.100 -0.048 0.000 0.641 491 G HN 0.446 nan 8.290 nan 0.000 0.527 492 V N 0.100 119.992 119.914 -0.038 0.000 3.188 492 V HA 0.896 5.016 4.120 -0.000 0.000 0.305 492 V C 0.205 176.339 176.094 0.067 0.000 1.232 492 V CA 0.219 62.514 62.300 -0.008 0.000 1.043 492 V CB 2.416 34.207 31.823 -0.053 0.000 1.068 492 V HN 1.064 nan 8.190 nan 0.000 0.439 493 T N -0.992 113.633 114.554 0.118 0.000 2.924 493 T HA 0.678 5.028 4.350 -0.000 0.000 0.291 493 T C 0.586 175.362 174.700 0.126 0.000 1.045 493 T CA 0.134 62.295 62.100 0.102 0.000 1.015 493 T CB 1.589 70.500 68.868 0.071 0.000 1.103 493 T HN 2.320 nan 8.240 nan 0.000 0.496 494 G N 0.539 109.394 108.800 0.092 0.000 2.147 494 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.244 494 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.244 494 G C -0.296 174.650 174.900 0.077 0.000 1.005 494 G CA 0.212 45.356 45.100 0.073 0.000 0.713 494 G HN 1.025 nan 8.290 nan 0.000 0.515 495 L N -0.073 121.211 121.223 0.101 0.000 2.476 495 L HA 0.634 4.974 4.340 -0.000 0.000 0.269 495 L C -0.188 176.732 176.870 0.083 0.000 0.965 495 L CA -0.927 53.970 54.840 0.095 0.000 0.845 495 L CB 1.364 43.516 42.059 0.154 0.000 1.259 495 L HN 0.191 nan 8.230 nan 0.000 0.403 496 R N 3.166 123.707 120.500 0.068 0.000 2.778 496 R HA 0.693 5.033 4.340 -0.000 0.000 0.277 496 R C -1.217 175.102 176.300 0.032 0.000 0.977 496 R CA -0.881 55.251 56.100 0.054 0.000 0.950 496 R CB 2.787 33.124 30.300 0.063 0.000 1.165 496 R HN 0.287 nan 8.270 nan 0.000 0.474 497 V N 1.044 120.965 119.914 0.012 0.000 2.532 497 V HA 0.694 4.814 4.120 -0.000 0.000 0.295 497 V C -0.366 175.717 176.094 -0.018 0.000 1.041 497 V CA -0.536 61.755 62.300 -0.015 0.000 0.926 497 V CB 1.592 33.390 31.823 -0.042 0.000 0.992 497 V HN 0.947 nan 8.190 nan 0.000 0.457 498 A N 4.202 127.008 122.820 -0.023 0.000 2.604 498 A HA 0.772 5.092 4.320 -0.000 0.000 0.285 498 A C -1.075 176.491 177.584 -0.029 0.000 1.095 498 A CA -0.479 51.549 52.037 -0.016 0.000 0.842 498 A CB 0.848 19.858 19.000 0.017 0.000 1.385 498 A HN 1.018 nan 8.150 nan 0.000 0.404 499 D N 0.163 120.535 120.400 -0.046 0.000 2.871 499 D HA 0.374 5.014 4.640 -0.000 0.000 0.330 499 D C 0.693 176.948 176.300 -0.074 0.000 1.364 499 D CA 0.073 54.044 54.000 -0.047 0.000 0.759 499 D CB 0.356 41.126 40.800 -0.051 0.000 1.325 499 D HN 0.868 nan 8.370 nan 0.000 0.452 500 A N -0.233 122.546 122.820 -0.068 0.000 2.194 500 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 500 A C 1.729 179.207 177.584 -0.178 0.000 1.162 500 A CA 2.166 54.139 52.037 -0.106 0.000 0.674 500 A CB -1.070 17.878 19.000 -0.088 0.000 0.789 500 A HN 0.497 nan 8.150 nan 0.000 0.470 501 S N -0.307 115.293 115.700 -0.168 0.000 2.447 501 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 501 S C 1.818 176.269 174.600 -0.248 0.000 1.006 501 S CA 1.309 59.393 58.200 -0.194 0.000 0.957 501 S CB -0.646 62.459 63.200 -0.157 0.000 0.773 501 S HN 0.989 nan 8.310 nan 0.000 0.507 502 V N -0.670 119.076 119.914 -0.280 0.000 2.871 502 V HA 0.167 4.286 4.120 -0.000 0.000 0.256 502 V C 0.783 176.528 176.094 -0.582 0.000 1.082 502 V CA 0.315 62.389 62.300 -0.377 0.000 1.105 502 V CB -1.034 30.564 31.823 -0.374 0.000 0.713 502 V HN 0.393 nan 8.190 nan 0.000 0.473 503 M N 2.816 122.044 119.600 -0.619 0.000 2.338 503 M HA 0.092 4.572 4.480 -0.000 0.000 0.360 503 M C -0.986 174.802 176.300 -0.853 0.000 1.547 503 M CA -0.338 54.408 55.300 -0.923 0.000 1.001 503 M CB 0.334 32.583 32.600 -0.585 0.000 2.008 503 M HN 0.180 nan 8.290 nan 0.000 0.464 504 P HA -0.034 nan 4.420 nan 0.000 0.227 504 P C -0.054 176.710 177.300 -0.892 0.000 1.161 504 P CA 1.327 63.907 63.100 -0.867 0.000 0.788 504 P CB 0.337 31.546 31.700 -0.817 0.000 0.822 505 E N -1.148 118.531 120.200 -0.869 0.000 2.343 505 E HA 0.272 4.621 4.350 -0.000 0.000 0.278 505 E C -0.833 175.740 176.600 -0.046 0.000 0.910 505 E CA -0.859 55.278 56.400 -0.439 0.000 0.757 505 E CB 0.728 30.138 29.700 -0.483 0.000 1.218 505 E HN -0.127 nan 8.360 nan 0.000 0.435 506 H N 1.876 120.910 119.070 -0.060 0.000 2.852 506 H HA 0.264 4.819 4.556 -0.000 0.000 0.362 506 H C -0.147 175.228 175.328 0.077 0.000 1.122 506 H CA 0.532 56.563 56.048 -0.028 0.000 1.419 506 H CB 0.721 30.401 29.762 -0.137 0.000 1.401 506 H HN 0.390 nan 8.280 nan 0.000 0.609 507 V N 1.451 121.662 119.914 0.495 0.000 2.837 507 V HA 0.255 4.375 4.120 -0.000 0.000 0.310 507 V C 1.107 177.217 176.094 0.027 0.000 1.059 507 V CA -0.454 62.009 62.300 0.272 0.000 1.004 507 V CB 1.318 33.323 31.823 0.303 0.000 1.045 507 V HN 0.820 nan 8.190 nan 0.000 0.465 508 T N 1.754 116.287 114.554 -0.036 0.000 2.951 508 T HA 0.043 4.393 4.350 -0.000 0.000 0.268 508 T C 0.734 175.305 174.700 -0.215 0.000 1.073 508 T CA 1.542 63.561 62.100 -0.135 0.000 1.134 508 T CB -0.267 68.613 68.868 0.021 0.000 0.884 508 T HN 0.973 nan 8.240 nan 0.000 0.479 509 V N -0.617 119.202 119.914 -0.158 0.000 3.267 509 V HA 0.478 4.597 4.120 -0.000 0.000 0.317 509 V C -0.281 175.783 176.094 -0.050 0.000 1.131 509 V CA -1.754 60.392 62.300 -0.256 0.000 1.031 509 V CB 0.959 32.471 31.823 -0.517 0.000 1.159 509 V HN 0.099 nan 8.190 nan 0.000 0.454 510 N N 2.588 121.289 118.700 0.001 0.000 2.447 510 N HA 0.178 4.918 4.740 -0.000 0.000 0.263 510 N C -1.918 173.563 175.510 -0.048 0.000 1.226 510 N CA -0.630 52.360 53.050 -0.101 0.000 0.906 510 N CB 1.089 39.617 38.487 0.068 0.000 1.060 510 N HN 0.627 nan 8.380 nan 0.000 0.468 511 P HA -0.049 nan 4.420 nan 0.000 0.245 511 P C 0.838 178.179 177.300 0.068 0.000 1.206 511 P CA 0.500 63.626 63.100 0.043 0.000 0.781 511 P CB 0.212 31.953 31.700 0.067 0.000 0.994 512 N N 0.828 119.549 118.700 0.036 0.000 2.037 512 N HA -0.157 4.583 4.740 -0.000 0.000 0.196 512 N C 1.556 177.120 175.510 0.091 0.000 1.034 512 N CA 1.377 54.464 53.050 0.061 0.000 0.861 512 N CB -0.140 38.373 38.487 0.042 0.000 1.039 512 N HN -0.045 nan 8.380 nan 0.000 0.427 513 I N 0.876 121.514 120.570 0.114 0.000 2.394 513 I HA -0.144 4.026 4.170 -0.000 0.000 0.251 513 I C 1.959 178.199 176.117 0.206 0.000 1.136 513 I CA 1.066 62.453 61.300 0.144 0.000 1.425 513 I CB -1.365 36.715 38.000 0.133 0.000 1.079 513 I HN 0.196 nan 8.210 nan 0.000 0.425 514 T N 1.030 115.728 114.554 0.240 0.000 2.915 514 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 514 T C 2.111 176.892 174.700 0.135 0.000 1.071 514 T CA 0.815 63.046 62.100 0.218 0.000 1.132 514 T CB -0.086 68.938 68.868 0.260 0.000 0.878 514 T HN 0.125 nan 8.240 nan 0.000 0.479 515 V N 1.506 121.489 119.914 0.115 0.000 2.346 515 V HA -0.073 4.047 4.120 -0.000 0.000 0.244 515 V C 2.469 178.592 176.094 0.048 0.000 1.037 515 V CA 1.230 63.578 62.300 0.080 0.000 1.029 515 V CB -0.587 31.272 31.823 0.059 0.000 0.663 515 V HN 0.476 nan 8.190 nan 0.000 0.454 516 M N -0.728 118.901 119.600 0.049 0.000 2.144 516 M HA -0.265 4.215 4.480 -0.000 0.000 0.260 516 M C 2.336 178.629 176.300 -0.012 0.000 1.067 516 M CA 1.951 57.269 55.300 0.029 0.000 1.095 516 M CB -0.557 32.114 32.600 0.119 0.000 1.365 516 M HN 0.363 nan 8.290 nan 0.000 0.406 517 M N 1.221 120.793 119.600 -0.047 0.000 2.077 517 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 517 M C 2.056 178.332 176.300 -0.039 0.000 1.070 517 M CA 1.820 57.019 55.300 -0.169 0.000 1.125 517 M CB -0.701 31.596 32.600 -0.506 0.000 1.339 517 M HN 0.226 nan 8.290 nan 0.000 0.409 518 I N 0.551 121.184 120.570 0.105 0.000 2.182 518 I HA -0.316 3.854 4.170 -0.000 0.000 0.248 518 I C 2.436 178.625 176.117 0.121 0.000 1.073 518 I CA 1.685 63.132 61.300 0.244 0.000 1.335 518 I CB -1.188 36.936 38.000 0.208 0.000 1.031 518 I HN 0.477 nan 8.210 nan 0.000 0.420 519 G N -0.360 108.446 108.800 0.009 0.000 2.421 519 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 519 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 519 G C 1.557 176.406 174.900 -0.084 0.000 1.143 519 G CA 0.234 45.297 45.100 -0.062 0.000 0.784 519 G HN 0.335 nan 8.290 nan 0.000 0.541 520 E N 0.300 120.451 120.200 -0.081 0.000 2.107 520 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 520 E C 2.559 179.107 176.600 -0.086 0.000 0.982 520 E CA 0.734 57.084 56.400 -0.084 0.000 0.809 520 E CB -0.036 29.623 29.700 -0.069 0.000 0.756 520 E HN 0.324 nan 8.360 nan 0.000 0.459 521 R N 1.023 121.474 120.500 -0.081 0.000 2.073 521 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 521 R C 2.448 178.713 176.300 -0.059 0.000 1.120 521 R CA 1.372 57.388 56.100 -0.139 0.000 0.967 521 R CB -1.101 29.030 30.300 -0.282 0.000 0.862 521 R HN 0.194 nan 8.270 nan 0.000 0.436 522 C N 0.151 119.473 119.300 0.038 0.000 2.401 522 C HA -0.064 4.396 4.460 -0.000 0.000 0.276 522 C C 2.735 177.711 174.990 -0.023 0.000 1.233 522 C CA 1.252 60.301 59.018 0.051 0.000 1.753 522 C CB -1.313 26.461 27.740 0.057 0.000 2.029 522 C HN 0.665 nan 8.230 nan 0.000 0.478 523 A N 0.081 122.862 122.820 -0.065 0.000 1.902 523 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 523 A C 1.862 179.393 177.584 -0.090 0.000 1.181 523 A CA 2.210 54.185 52.037 -0.104 0.000 0.623 523 A CB -0.753 18.176 19.000 -0.119 0.000 0.818 523 A HN 0.631 nan 8.150 nan 0.000 0.443 524 D N 0.121 120.474 120.400 -0.079 0.000 2.144 524 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 524 D C 1.826 178.091 176.300 -0.058 0.000 0.984 524 D CA 0.869 54.825 54.000 -0.074 0.000 0.834 524 D CB -0.363 40.382 40.800 -0.092 0.000 0.955 524 D HN 0.453 nan 8.370 nan 0.000 0.465 525 L N 0.058 121.252 121.223 -0.049 0.000 2.265 525 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 525 L C 2.142 179.013 176.870 0.002 0.000 1.117 525 L CA 0.610 55.441 54.840 -0.015 0.000 0.782 525 L CB -0.144 41.930 42.059 0.024 0.000 0.914 525 L HN 0.065 nan 8.230 nan 0.000 0.441 526 I N -0.477 120.083 120.570 -0.017 0.000 2.522 526 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 526 I C 2.065 178.174 176.117 -0.013 0.000 1.078 526 I CA 0.421 61.715 61.300 -0.011 0.000 1.422 526 I CB -0.072 37.885 38.000 -0.072 0.000 1.188 526 I HN 0.152 nan 8.210 nan 0.000 0.442 527 R N 1.465 121.931 120.500 -0.057 0.000 2.366 527 R HA 0.060 4.400 4.340 -0.000 0.000 0.201 527 R C 0.227 176.520 176.300 -0.012 0.000 1.057 527 R CA 0.790 56.870 56.100 -0.033 0.000 1.086 527 R CB -0.636 29.630 30.300 -0.057 0.000 0.914 527 R HN 0.346 nan 8.270 nan 0.000 0.476 528 S N -1.991 113.704 115.700 -0.008 0.000 2.552 528 S HA 0.647 5.117 4.470 -0.000 0.000 0.183 528 S C -0.369 174.231 174.600 0.000 0.000 0.841 528 S CA -0.351 57.846 58.200 -0.003 0.000 1.048 528 S CB 0.224 63.415 63.200 -0.013 0.000 1.714 528 S HN 0.555 nan 8.310 nan 0.000 0.488 529 A N 0.000 122.829 122.820 0.015 0.000 2.254 529 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 529 A CA 0.000 52.050 52.037 0.022 0.000 0.836 529 A CB 0.000 19.008 19.000 0.013 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486