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 1bhg_1_A DATA FIRST_RESID 22 DATA SEQUENCE GLQGGMLYPQ ESPSRECKEL DGLWSFRADF SDNRRRGFEE QWYRRPLWES DATA SEQUENCE GPTVDMPVPS SFNDISQDWR LRHFVGWVWY EREVILPERW TQDLRTRVVL DATA SEQUENCE RIGSAHSYAI VWVNGVDTLE HEGGYLPFEA DISNLVQVGP LPSRLRITIA DATA SEQUENCE INNTLTPTTL PPGTIQYLTD TSKYPKGYFV QNTYFDFFNY AGLQRSVLLY DATA SEQUENCE TTPTTYIDDI TVTTSVEQDS GLVNYQISVK GSNLFKLEVR LLDAENKVVA DATA SEQUENCE NGTGTQGQLK VPGVSLWWPY LMHERPAYLY SLEVQLTAQT SLGPVSDFYT DATA SEQUENCE LPVGIRTVAV TKSQFLINGK PFYFHGVNKH EDADIRGKGF DWPLLVKDFN DATA SEQUENCE LLRWLGANAF RTSHYPYAEE VMQMCDRYGI VVIDECPGVG LALPQFFNNV DATA SEQUENCE SLHHHMQVME EVVRRDKNHP AVVMWSVANE PASHLESAGY YLKMVIAHTK DATA SEQUENCE SLDPSRPVTF VSNSNYAADK GAPYVDVICL NSYYSWYHDY GHLELIQLQL DATA SEQUENCE ATQFENWYKK YQKPIIQSEY GAETIAGFHQ DPPLMFTEEY QKSLLEQYHL DATA SEQUENCE GLDQKRRKYV VGELIWNFAD FMTEQSPTRV LGNKKGIFTR QRQPKSAAFL DATA SEQUENCE LRERYWKIAN E 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 22 G HA2 0.000 nan 3.960 nan 0.000 0.244 22 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 22 G C 0.000 174.882 174.900 -0.030 0.000 0.946 22 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 23 L N 0.125 121.329 121.223 -0.031 0.000 2.467 23 L HA 0.501 4.841 4.340 0.000 0.000 0.270 23 L C 0.182 177.042 176.870 -0.018 0.000 1.205 23 L CA -0.938 53.888 54.840 -0.023 0.000 0.828 23 L CB 0.448 42.491 42.059 -0.027 0.000 1.101 23 L HN 0.364 nan 8.230 nan 0.000 0.479 24 Q N 2.967 122.758 119.800 -0.016 0.000 2.442 24 Q HA 0.371 4.711 4.340 0.000 0.000 0.244 24 Q C 0.338 176.337 176.000 -0.001 0.000 1.302 24 Q CA 0.739 56.535 55.803 -0.011 0.000 0.889 24 Q CB -0.416 28.314 28.738 -0.014 0.000 1.578 24 Q HN 0.982 nan 8.270 nan 0.000 0.526 25 G N -0.237 108.564 108.800 0.003 0.000 2.344 25 G HA2 0.526 4.486 3.960 0.000 0.000 0.282 25 G HA3 0.526 4.486 3.960 0.000 0.000 0.282 25 G C -1.252 173.657 174.900 0.015 0.000 1.281 25 G CA -0.188 44.923 45.100 0.018 0.000 0.877 25 G HN 0.696 nan 8.290 nan 0.000 0.494 26 G N -1.480 107.335 108.800 0.026 0.000 2.703 26 G HA2 0.683 4.643 3.960 0.000 0.000 0.294 26 G HA3 0.683 4.643 3.960 0.000 0.000 0.294 26 G C -1.789 173.120 174.900 0.016 0.000 1.451 26 G CA -0.381 44.728 45.100 0.015 0.000 0.869 26 G HN 1.110 nan 8.290 nan 0.000 0.516 27 M N 0.892 120.489 119.600 -0.005 0.000 2.277 27 M HA 0.754 5.234 4.480 0.000 0.000 0.282 27 M C -1.655 174.625 176.300 -0.033 0.000 1.074 27 M CA -0.655 54.643 55.300 -0.003 0.000 0.954 27 M CB 1.794 34.401 32.600 0.013 0.000 1.672 27 M HN 0.464 nan 8.290 nan 0.000 0.471 28 L N 3.066 124.263 121.223 -0.043 0.000 2.466 28 L HA 0.487 4.827 4.340 0.000 0.000 0.258 28 L C -1.533 175.383 176.870 0.077 0.000 0.973 28 L CA -1.061 53.739 54.840 -0.066 0.000 0.826 28 L CB 2.313 44.120 42.059 -0.420 0.000 1.372 28 L HN 0.640 nan 8.230 nan 0.000 0.409 29 Y N 4.737 125.085 120.300 0.079 0.000 2.402 29 Y HA 0.252 4.802 4.550 0.000 0.000 0.333 29 Y C -1.874 174.056 175.900 0.051 0.000 1.076 29 Y CA -2.367 55.756 58.100 0.038 0.000 1.299 29 Y CB 0.665 39.160 38.460 0.058 0.000 1.197 29 Y HN 0.213 nan 8.280 nan 0.000 0.517 30 P HA -0.056 nan 4.420 nan 0.000 0.254 30 P C -1.323 175.606 177.300 -0.619 0.000 1.186 30 P CA 0.662 63.345 63.100 -0.695 0.000 0.868 30 P CB 0.077 31.202 31.700 -0.958 0.000 0.856 31 Q N 2.197 121.838 119.800 -0.265 0.000 2.414 31 Q HA 0.109 4.449 4.340 0.000 0.000 0.256 31 Q C 0.496 176.432 176.000 -0.106 0.000 0.974 31 Q CA -0.694 54.983 55.803 -0.210 0.000 0.723 31 Q CB 2.086 30.709 28.738 -0.192 0.000 1.281 31 Q HN 0.505 nan 8.270 nan 0.000 0.470 32 E N 2.100 122.260 120.200 -0.067 0.000 2.461 32 E HA 0.086 4.436 4.350 0.000 0.000 0.263 32 E C -0.294 176.286 176.600 -0.032 0.000 1.143 32 E CA 0.872 57.264 56.400 -0.013 0.000 0.994 32 E CB 0.779 30.481 29.700 0.003 0.000 0.973 32 E HN 0.678 nan 8.360 nan 0.000 0.457 33 S N 0.275 115.965 115.700 -0.017 0.000 3.102 33 S HA 0.194 4.665 4.470 0.000 0.000 0.292 33 S C -2.882 171.681 174.600 -0.060 0.000 1.249 33 S CA -0.837 57.324 58.200 -0.065 0.000 1.397 33 S CB -0.421 62.743 63.200 -0.060 0.000 1.421 33 S HN 0.431 nan 8.310 nan 0.000 0.410 34 P HA 0.546 nan 4.420 nan 0.000 0.252 34 P C -1.141 176.188 177.300 0.048 0.000 1.694 34 P CA 0.653 63.707 63.100 -0.078 0.000 1.163 34 P CB -0.157 31.421 31.700 -0.204 0.000 1.934 35 S N 0.506 116.238 115.700 0.054 0.000 4.110 35 S HA -0.015 4.455 4.470 0.000 0.000 0.186 35 S C 0.134 174.792 174.600 0.097 0.000 0.720 35 S CA -0.814 57.432 58.200 0.078 0.000 0.976 35 S CB -0.410 62.841 63.200 0.085 0.000 0.659 35 S HN 0.304 nan 8.310 nan 0.000 0.849 36 R N 1.741 122.311 120.500 0.116 0.000 2.896 36 R HA 0.453 4.793 4.340 0.000 0.000 0.258 36 R C 0.352 176.778 176.300 0.210 0.000 1.240 36 R CA -0.395 55.791 56.100 0.143 0.000 1.109 36 R CB 0.258 30.644 30.300 0.143 0.000 1.081 36 R HN 0.710 nan 8.270 nan 0.000 0.562 37 E N 0.171 120.493 120.200 0.204 0.000 2.311 37 E HA 0.111 4.461 4.350 0.000 0.000 0.281 37 E C -1.166 175.559 176.600 0.208 0.000 0.905 37 E CA -0.616 55.927 56.400 0.238 0.000 0.778 37 E CB 0.984 30.751 29.700 0.111 0.000 1.240 37 E HN 0.506 nan 8.360 nan 0.000 0.410 38 C N 3.513 122.992 119.300 0.298 0.000 2.396 38 C HA 0.730 5.190 4.460 0.000 0.000 0.359 38 C C -0.832 174.252 174.990 0.157 0.000 1.307 38 C CA -0.082 59.055 59.018 0.199 0.000 2.392 38 C CB 0.122 28.024 27.740 0.270 0.000 2.245 38 C HN 0.828 nan 8.230 nan 0.000 0.615 39 K N 2.328 122.798 120.400 0.116 0.000 2.592 39 K HA 0.188 4.508 4.320 0.000 0.000 0.265 39 K C -0.559 176.112 176.600 0.117 0.000 1.006 39 K CA -0.104 56.252 56.287 0.116 0.000 0.907 39 K CB 0.498 33.063 32.500 0.107 0.000 1.309 39 K HN 0.857 nan 8.250 nan 0.000 0.452 40 E N 3.323 123.608 120.200 0.142 0.000 2.465 40 E HA 0.000 4.350 4.350 0.000 0.000 0.195 40 E C 1.208 177.959 176.600 0.253 0.000 1.028 40 E CA -0.150 56.350 56.400 0.167 0.000 0.899 40 E CB -0.256 29.523 29.700 0.131 0.000 1.032 40 E HN 0.617 nan 8.360 nan 0.000 0.468 41 L N 0.711 122.044 121.223 0.183 0.000 2.456 41 L HA -0.040 4.301 4.340 0.000 0.000 0.225 41 L C -0.083 176.874 176.870 0.145 0.000 1.142 41 L CA 1.498 56.422 54.840 0.141 0.000 0.796 41 L CB -1.253 40.871 42.059 0.109 0.000 0.920 41 L HN 0.129 nan 8.230 nan 0.000 0.446 42 D N -2.601 117.911 120.400 0.186 0.000 2.596 42 D HA 0.742 5.382 4.640 0.000 0.000 0.234 42 D C -0.065 176.366 176.300 0.219 0.000 1.181 42 D CA -0.172 53.934 54.000 0.176 0.000 0.856 42 D CB 1.872 42.767 40.800 0.158 0.000 1.498 42 D HN 0.308 nan 8.370 nan 0.000 0.446 43 G N -0.723 108.207 108.800 0.217 0.000 2.353 43 G HA2 0.319 4.279 3.960 0.000 0.000 0.424 43 G HA3 0.319 4.279 3.960 0.000 0.000 0.424 43 G C -1.978 173.112 174.900 0.317 0.000 1.320 43 G CA -0.971 44.264 45.100 0.225 0.000 0.995 43 G HN 0.587 nan 8.290 nan 0.000 0.580 44 L N -1.063 120.318 121.223 0.263 0.000 2.375 44 L HA 0.964 5.305 4.340 0.000 0.000 0.268 44 L C -0.819 176.327 176.870 0.459 0.000 1.058 44 L CA -0.482 54.538 54.840 0.300 0.000 0.803 44 L CB 1.367 43.525 42.059 0.165 0.000 1.212 44 L HN 0.688 nan 8.230 nan 0.000 0.451 45 W N 0.588 121.983 121.300 0.158 0.000 3.296 45 W HA 0.460 5.120 4.660 0.000 0.000 0.314 45 W C -0.409 176.262 176.519 0.254 0.000 1.238 45 W CA -0.409 57.074 57.345 0.231 0.000 1.193 45 W CB 1.683 31.358 29.460 0.357 0.000 1.383 45 W HN 0.261 nan 8.180 nan 0.000 0.545 46 S N 2.423 118.421 115.700 0.496 0.000 2.564 46 S HA 0.528 4.999 4.470 0.000 0.000 0.278 46 S C -0.949 173.921 174.600 0.450 0.000 1.333 46 S CA 0.023 58.444 58.200 0.369 0.000 1.048 46 S CB 0.247 63.599 63.200 0.253 0.000 0.900 46 S HN 0.308 nan 8.310 nan 0.000 0.505 47 F N 1.906 121.905 119.950 0.083 0.000 2.643 47 F HA 0.747 5.275 4.527 0.000 0.000 0.314 47 F C -0.567 175.157 175.800 -0.128 0.000 1.096 47 F CA -0.917 57.026 58.000 -0.095 0.000 0.953 47 F CB 1.488 40.385 39.000 -0.171 0.000 1.345 47 F HN 0.530 nan 8.300 nan 0.000 0.468 48 R N 2.676 122.607 120.500 -0.947 0.000 2.633 48 R HA 0.704 5.044 4.340 0.000 0.000 0.255 48 R C -2.045 173.774 176.300 -0.801 0.000 1.106 48 R CA -0.602 55.109 56.100 -0.649 0.000 0.959 48 R CB 1.637 31.661 30.300 -0.459 0.000 1.259 48 R HN 0.956 nan 8.270 nan 0.000 0.453 49 A N 1.889 124.381 122.820 -0.547 0.000 2.325 49 A HA 0.472 4.792 4.320 0.000 0.000 0.333 49 A C -1.223 176.329 177.584 -0.053 0.000 1.155 49 A CA -0.472 51.226 52.037 -0.565 0.000 0.814 49 A CB 1.473 19.844 19.000 -1.049 0.000 1.206 49 A HN 0.628 nan 8.150 nan 0.000 0.482 50 D N 0.539 121.150 120.400 0.352 0.000 2.453 50 D HA 0.654 5.295 4.640 0.000 0.000 0.238 50 D C -1.503 175.348 176.300 0.918 0.000 1.088 50 D CA 0.150 54.506 54.000 0.594 0.000 0.854 50 D CB 0.193 41.302 40.800 0.515 0.000 1.076 50 D HN 0.222 nan 8.370 nan 0.000 0.533 51 F N 1.924 122.131 119.950 0.429 0.000 2.770 51 F HA 0.488 5.015 4.527 0.000 0.000 0.313 51 F C 0.524 176.472 175.800 0.247 0.000 1.154 51 F CA -0.514 57.710 58.000 0.373 0.000 0.923 51 F CB 1.732 41.052 39.000 0.534 0.000 1.301 51 F HN 0.281 nan 8.300 nan 0.000 0.449 52 S N 0.205 115.901 115.700 -0.007 0.000 2.709 52 S HA 0.060 4.530 4.470 0.000 0.000 0.121 52 S C -0.663 173.843 174.600 -0.156 0.000 0.686 52 S CA 0.920 59.132 58.200 0.020 0.000 1.635 52 S CB -0.817 62.423 63.200 0.068 0.000 0.964 52 S HN 0.887 nan 8.310 nan 0.000 0.538 53 D N 0.963 121.107 120.400 -0.426 0.000 2.010 53 D HA 0.142 4.782 4.640 0.000 0.000 0.056 53 D C 0.277 176.301 176.300 -0.459 0.000 1.444 53 D CA 0.262 54.045 54.000 -0.362 0.000 0.983 53 D CB -0.951 39.766 40.800 -0.138 0.000 2.961 53 D HN 0.350 nan 8.370 nan 0.000 0.194 54 N N 1.026 119.570 118.700 -0.260 0.000 2.332 54 N HA 0.007 4.747 4.740 0.000 0.000 0.285 54 N C 1.362 176.815 175.510 -0.095 0.000 1.292 54 N CA -0.154 52.796 53.050 -0.166 0.000 0.947 54 N CB 0.309 38.746 38.487 -0.083 0.000 1.084 54 N HN 0.333 nan 8.380 nan 0.000 0.529 55 R N -0.178 120.358 120.500 0.060 0.000 2.170 55 R HA -0.086 4.254 4.340 0.000 0.000 0.242 55 R C -0.115 176.358 176.300 0.289 0.000 1.145 55 R CA 0.709 56.980 56.100 0.286 0.000 0.984 55 R CB -0.775 29.693 30.300 0.279 0.000 0.869 55 R HN 0.611 nan 8.270 nan 0.000 0.455 56 R N -1.110 119.445 120.500 0.093 0.000 3.967 56 R HA -0.168 4.172 4.340 0.000 0.000 0.450 56 R C 1.006 177.257 176.300 -0.082 0.000 0.241 56 R CA 0.943 57.047 56.100 0.007 0.000 1.421 56 R CB -1.085 29.239 30.300 0.040 0.000 1.115 56 R HN 0.361 nan 8.270 nan 0.000 0.508 57 R N 0.917 121.297 120.500 -0.199 0.000 2.316 57 R HA -0.112 4.228 4.340 0.000 0.000 0.232 57 R C 2.167 177.906 176.300 -0.935 0.000 1.137 57 R CA 1.493 57.374 56.100 -0.365 0.000 1.012 57 R CB -0.468 29.710 30.300 -0.203 0.000 0.859 57 R HN 0.780 nan 8.270 nan 0.000 0.474 58 G N 0.528 108.562 108.800 -1.276 0.000 2.550 58 G HA2 -0.276 3.684 3.960 0.000 0.000 0.222 58 G HA3 -0.276 3.684 3.960 0.000 0.000 0.222 58 G C 0.956 175.207 174.900 -1.081 0.000 1.113 58 G CA 1.117 45.077 45.100 -1.901 0.000 0.748 58 G HN 0.347 nan 8.290 nan 0.000 0.585 59 F N -0.238 119.462 119.950 -0.416 0.000 2.680 59 F HA 0.268 4.795 4.527 0.000 0.000 0.290 59 F C 2.383 178.059 175.800 -0.207 0.000 1.114 59 F CA 0.137 58.042 58.000 -0.157 0.000 1.333 59 F CB 0.275 39.247 39.000 -0.047 0.000 1.091 59 F HN 0.110 nan 8.300 nan 0.000 0.606 60 E N 0.589 120.747 120.200 -0.069 0.000 2.478 60 E HA -0.106 4.244 4.350 0.000 0.000 0.198 60 E C 0.895 177.415 176.600 -0.133 0.000 1.046 60 E CA 0.870 57.224 56.400 -0.077 0.000 0.870 60 E CB -0.137 29.523 29.700 -0.066 0.000 0.818 60 E HN 0.566 nan 8.360 nan 0.000 0.527 61 E N 0.144 120.195 120.200 -0.248 0.000 2.572 61 E HA 0.050 4.400 4.350 0.000 0.000 0.220 61 E C -0.476 175.946 176.600 -0.296 0.000 0.945 61 E CA -0.115 56.164 56.400 -0.201 0.000 1.070 61 E CB 0.636 30.280 29.700 -0.094 0.000 1.090 61 E HN 0.084 nan 8.360 nan 0.000 0.506 62 Q N -0.236 119.280 119.800 -0.473 0.000 2.452 62 Q HA -0.208 4.132 4.340 0.000 0.000 0.318 62 Q C -0.246 175.218 176.000 -0.892 0.000 1.386 62 Q CA 0.183 55.410 55.803 -0.959 0.000 0.872 62 Q CB -1.383 26.830 28.738 -0.876 0.000 1.151 62 Q HN 0.466 nan 8.270 nan 0.000 0.417 63 W N -0.415 120.409 121.300 -0.794 0.000 2.296 63 W HA -0.271 4.390 4.660 0.000 0.000 0.296 63 W C 1.997 178.213 176.519 -0.504 0.000 1.220 63 W CA 1.950 58.863 57.345 -0.721 0.000 1.223 63 W CB -1.471 27.292 29.460 -1.161 0.000 1.139 63 W HN 0.754 nan 8.180 nan 0.000 0.534 64 Y N 1.200 121.418 120.300 -0.138 0.000 2.315 64 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 64 Y C 1.977 177.766 175.900 -0.184 0.000 1.154 64 Y CA 1.637 59.526 58.100 -0.352 0.000 1.229 64 Y CB -1.662 36.045 38.460 -1.255 0.000 0.980 64 Y HN 0.084 nan 8.280 nan 0.000 0.540 65 R N 0.918 121.297 120.500 -0.202 0.000 2.555 65 R HA 0.464 4.804 4.340 0.000 0.000 0.272 65 R C -0.667 175.574 176.300 -0.098 0.000 1.089 65 R CA -0.217 55.842 56.100 -0.068 0.000 1.126 65 R CB -0.071 30.175 30.300 -0.089 0.000 1.250 65 R HN 0.229 nan 8.270 nan 0.000 0.551 66 R N 0.330 120.759 120.500 -0.119 0.000 4.828 66 R HA 0.104 4.444 4.340 0.000 0.000 0.253 66 R C -2.952 173.204 176.300 -0.240 0.000 1.005 66 R CA -1.420 54.575 56.100 -0.175 0.000 1.405 66 R CB 1.140 31.304 30.300 -0.227 0.000 1.224 66 R HN 0.038 nan 8.270 nan 0.000 0.617 67 P HA -0.206 nan 4.420 nan 0.000 0.251 67 P C 0.922 178.008 177.300 -0.357 0.000 1.105 67 P CA 0.756 63.726 63.100 -0.217 0.000 0.775 67 P CB 0.382 31.897 31.700 -0.307 0.000 0.689 68 L N 3.683 124.814 121.223 -0.153 0.000 2.085 68 L HA -0.251 4.090 4.340 0.000 0.000 0.218 68 L C 2.499 179.211 176.870 -0.262 0.000 1.080 68 L CA 2.036 56.723 54.840 -0.255 0.000 0.776 68 L CB -0.930 41.065 42.059 -0.106 0.000 0.891 68 L HN 0.635 nan 8.230 nan 0.000 0.437 69 W N 1.049 122.243 121.300 -0.177 0.000 2.321 69 W HA -0.204 4.456 4.660 0.000 0.000 0.306 69 W C 1.785 178.190 176.519 -0.190 0.000 1.217 69 W CA 1.306 58.553 57.345 -0.164 0.000 1.257 69 W CB -1.180 28.222 29.460 -0.096 0.000 1.145 69 W HN 0.286 nan 8.180 nan 0.000 0.509 70 E N 1.353 121.050 120.200 -0.839 0.000 2.118 70 E HA -0.219 4.131 4.350 0.000 0.000 0.195 70 E C 2.527 178.840 176.600 -0.477 0.000 0.992 70 E CA 2.298 58.211 56.400 -0.812 0.000 0.804 70 E CB -0.463 28.629 29.700 -1.013 0.000 0.741 70 E HN 0.376 nan 8.360 nan 0.000 0.458 71 S N 0.151 115.526 115.700 -0.541 0.000 2.356 71 S HA -0.022 4.448 4.470 0.000 0.000 0.223 71 S C 0.999 175.299 174.600 -0.500 0.000 1.032 71 S CA 0.961 58.791 58.200 -0.617 0.000 1.005 71 S CB 0.007 62.494 63.200 -1.188 0.000 0.867 71 S HN 0.340 nan 8.310 nan 0.000 0.449 72 G N -0.130 108.395 108.800 -0.458 0.000 2.322 72 G HA2 0.440 4.400 3.960 0.000 0.000 0.295 72 G HA3 0.440 4.400 3.960 0.000 0.000 0.295 72 G C -3.480 171.279 174.900 -0.236 0.000 1.369 72 G CA -0.973 43.947 45.100 -0.300 0.000 0.821 72 G HN 0.019 nan 8.290 nan 0.000 0.536 73 P HA 0.105 nan 4.420 nan 0.000 0.235 73 P C 0.715 177.960 177.300 -0.092 0.000 1.080 73 P CA 0.719 63.771 63.100 -0.081 0.000 1.096 73 P CB -0.436 31.233 31.700 -0.052 0.000 1.085 74 T N 0.050 114.570 114.554 -0.056 0.000 2.788 74 T HA 0.571 4.921 4.350 0.000 0.000 0.280 74 T C 0.237 174.961 174.700 0.040 0.000 0.984 74 T CA -0.698 61.386 62.100 -0.026 0.000 0.972 74 T CB 1.049 69.926 68.868 0.014 0.000 1.039 74 T HN 0.034 nan 8.240 nan 0.000 0.530 75 V N -0.209 119.768 119.914 0.105 0.000 3.181 75 V HA 0.406 4.526 4.120 0.000 0.000 0.308 75 V C -1.205 174.988 176.094 0.166 0.000 1.214 75 V CA -1.012 61.365 62.300 0.128 0.000 1.053 75 V CB 2.536 34.448 31.823 0.148 0.000 1.069 75 V HN 0.972 nan 8.190 nan 0.000 0.441 76 D N 2.301 122.770 120.400 0.114 0.000 2.225 76 D HA 0.605 5.245 4.640 0.000 0.000 0.249 76 D C -0.586 175.766 176.300 0.087 0.000 1.052 76 D CA -0.128 53.953 54.000 0.134 0.000 0.909 76 D CB 1.462 42.321 40.800 0.098 0.000 1.186 76 D HN 0.142 nan 8.370 nan 0.000 0.431 77 M N 2.441 122.151 119.600 0.183 0.000 2.271 77 M HA 0.294 4.774 4.480 0.000 0.000 0.285 77 M C -2.730 173.690 176.300 0.199 0.000 1.059 77 M CA -1.926 53.445 55.300 0.119 0.000 0.940 77 M CB 2.564 35.215 32.600 0.085 0.000 1.636 77 M HN -0.002 nan 8.290 nan 0.000 0.460 78 P HA 0.561 nan 4.420 nan 0.000 0.279 78 P C -1.068 176.227 177.300 -0.008 0.000 1.252 78 P CA -0.481 62.674 63.100 0.092 0.000 0.811 78 P CB 1.596 33.330 31.700 0.056 0.000 1.035 79 V N 2.592 122.502 119.914 -0.008 0.000 2.623 79 V HA 0.334 4.454 4.120 0.000 0.000 0.304 79 V C -2.571 173.515 176.094 -0.013 0.000 1.054 79 V CA -1.992 60.234 62.300 -0.122 0.000 0.882 79 V CB 2.197 33.839 31.823 -0.303 0.000 1.002 79 V HN 0.457 nan 8.190 nan 0.000 0.424 80 P HA 0.484 nan 4.420 nan 0.000 0.287 80 P C -0.824 176.421 177.300 -0.090 0.000 1.281 80 P CA -0.053 62.994 63.100 -0.089 0.000 0.781 80 P CB 1.006 32.681 31.700 -0.042 0.000 0.903 81 S N 0.977 116.611 115.700 -0.110 0.000 2.604 81 S HA 0.352 4.822 4.470 0.000 0.000 0.296 81 S C -0.791 173.771 174.600 -0.062 0.000 1.097 81 S CA -0.840 57.306 58.200 -0.090 0.000 0.883 81 S CB 0.155 63.322 63.200 -0.055 0.000 1.081 81 S HN 0.129 nan 8.310 nan 0.000 0.448 82 S N 2.145 117.784 115.700 -0.102 0.000 2.564 82 S HA 0.362 4.832 4.470 0.000 0.000 0.278 82 S C 0.979 175.561 174.600 -0.030 0.000 1.333 82 S CA -0.385 57.752 58.200 -0.105 0.000 1.048 82 S CB -0.263 62.870 63.200 -0.112 0.000 0.900 82 S HN 0.896 nan 8.310 nan 0.000 0.505 83 F N 1.295 121.293 119.950 0.080 0.000 2.710 83 F HA 0.181 4.709 4.527 0.000 0.000 0.298 83 F C 1.179 177.008 175.800 0.049 0.000 1.137 83 F CA -0.195 57.786 58.000 -0.031 0.000 1.444 83 F CB -1.277 37.651 39.000 -0.120 0.000 1.111 83 F HN 0.438 nan 8.300 nan 0.000 0.580 84 N N 1.375 119.935 118.700 -0.234 0.000 2.021 84 N HA -0.221 4.520 4.740 0.000 0.000 0.198 84 N C 1.035 176.629 175.510 0.140 0.000 1.041 84 N CA 2.141 55.193 53.050 0.004 0.000 0.862 84 N CB -0.328 38.221 38.487 0.103 0.000 1.048 84 N HN 0.277 nan 8.380 nan 0.000 0.427 85 D N 0.034 120.536 120.400 0.170 0.000 2.354 85 D HA 0.048 4.688 4.640 0.000 0.000 0.209 85 D C 1.569 177.919 176.300 0.083 0.000 1.015 85 D CA 0.148 54.225 54.000 0.130 0.000 0.867 85 D CB -0.021 40.873 40.800 0.156 0.000 0.933 85 D HN 0.490 nan 8.370 nan 0.000 0.520 86 I N -2.145 118.465 120.570 0.067 0.000 3.444 86 I HA 0.061 4.231 4.170 0.000 0.000 0.287 86 I C 0.738 176.879 176.117 0.039 0.000 1.302 86 I CA 0.155 61.478 61.300 0.039 0.000 1.368 86 I CB 0.168 38.177 38.000 0.015 0.000 1.048 86 I HN -0.260 nan 8.210 nan 0.000 0.487 87 S N -0.213 115.523 115.700 0.060 0.000 2.759 87 S HA 0.434 4.904 4.470 0.000 0.000 0.310 87 S C 0.509 175.157 174.600 0.080 0.000 1.123 87 S CA -0.629 57.609 58.200 0.063 0.000 0.959 87 S CB 1.495 64.737 63.200 0.071 0.000 1.172 87 S HN 0.314 nan 8.310 nan 0.000 0.539 88 Q N 0.909 120.761 119.800 0.086 0.000 2.281 88 Q HA 0.226 4.566 4.340 0.000 0.000 0.215 88 Q C -0.727 175.359 176.000 0.144 0.000 0.867 88 Q CA 0.095 55.959 55.803 0.102 0.000 0.940 88 Q CB -0.076 28.713 28.738 0.085 0.000 1.111 88 Q HN 0.651 nan 8.270 nan 0.000 0.513 89 D N 0.504 120.992 120.400 0.146 0.000 2.280 89 D HA -0.006 4.634 4.640 0.000 0.000 0.243 89 D C 1.174 177.597 176.300 0.206 0.000 1.129 89 D CA -0.502 53.609 54.000 0.185 0.000 0.848 89 D CB 0.527 41.400 40.800 0.121 0.000 1.107 89 D HN 0.135 nan 8.370 nan 0.000 0.471 90 W N 5.524 126.901 121.300 0.129 0.000 2.425 90 W HA -0.093 4.567 4.660 0.000 0.000 0.277 90 W C 0.623 177.280 176.519 0.230 0.000 1.231 90 W CA 0.317 57.767 57.345 0.174 0.000 1.248 90 W CB -0.506 29.064 29.460 0.183 0.000 1.117 90 W HN 0.408 nan 8.180 nan 0.000 0.568 91 R N 0.503 120.517 120.500 -0.811 0.000 2.189 91 R HA -0.075 4.265 4.340 0.000 0.000 0.218 91 R C 2.193 178.400 176.300 -0.154 0.000 1.074 91 R CA 0.981 56.636 56.100 -0.742 0.000 0.991 91 R CB -0.553 29.354 30.300 -0.654 0.000 0.883 91 R HN 0.164 nan 8.270 nan 0.000 0.457 92 L N 1.321 122.524 121.223 -0.033 0.000 2.162 92 L HA 0.009 4.349 4.340 0.000 0.000 0.205 92 L C 2.394 179.410 176.870 0.244 0.000 1.086 92 L CA 1.467 56.362 54.840 0.092 0.000 0.778 92 L CB -0.503 41.615 42.059 0.097 0.000 0.928 92 L HN -0.038 nan 8.230 nan 0.000 0.446 93 R N -1.127 119.452 120.500 0.132 0.000 2.073 93 R HA -0.156 4.184 4.340 0.000 0.000 0.234 93 R C 0.870 177.176 176.300 0.010 0.000 1.134 93 R CA 1.540 57.672 56.100 0.053 0.000 0.952 93 R CB -0.261 29.985 30.300 -0.090 0.000 0.850 93 R HN 0.488 nan 8.270 nan 0.000 0.433 94 H N -0.794 118.376 119.070 0.167 0.000 2.577 94 H HA 0.061 4.617 4.556 0.000 0.000 0.306 94 H C -0.838 174.501 175.328 0.018 0.000 1.109 94 H CA -0.364 55.752 56.048 0.113 0.000 1.063 94 H CB -0.484 29.315 29.762 0.061 0.000 1.535 94 H HN 0.098 nan 8.280 nan 0.000 0.532 95 F N 2.150 122.110 119.950 0.018 0.000 2.382 95 F HA 0.303 4.830 4.527 0.000 0.000 0.331 95 F C 0.150 175.894 175.800 -0.093 0.000 1.121 95 F CA -0.718 57.222 58.000 -0.101 0.000 1.183 95 F CB 0.896 39.889 39.000 -0.013 0.000 1.207 95 F HN -0.103 nan 8.300 nan 0.000 0.555 96 V N 2.740 122.130 119.914 -0.873 0.000 2.567 96 V HA 0.950 5.070 4.120 0.000 0.000 0.298 96 V C -0.383 175.114 176.094 -0.995 0.000 1.047 96 V CA 0.086 62.037 62.300 -0.582 0.000 0.880 96 V CB 0.463 32.138 31.823 -0.246 0.000 1.009 96 V HN 1.342 nan 8.190 nan 0.000 0.429 97 G N 3.054 111.539 108.800 -0.526 0.000 2.373 97 G HA2 0.211 4.171 3.960 0.000 0.000 0.250 97 G HA3 0.211 4.171 3.960 0.000 0.000 0.250 97 G C -2.058 172.887 174.900 0.075 0.000 1.304 97 G CA -0.642 44.297 45.100 -0.269 0.000 0.948 97 G HN 0.725 nan 8.290 nan 0.000 0.474 98 W N -0.269 121.307 121.300 0.460 0.000 2.365 98 W HA 0.648 5.308 4.660 0.000 0.000 0.316 98 W C 0.081 176.896 176.519 0.492 0.000 1.164 98 W CA -0.395 57.225 57.345 0.458 0.000 1.204 98 W CB 1.924 31.688 29.460 0.507 0.000 1.213 98 W HN 0.312 nan 8.180 nan 0.000 0.539 99 V N 3.905 124.125 119.914 0.510 0.000 2.638 99 V HA 0.474 4.595 4.120 0.000 0.000 0.306 99 V C -1.403 174.704 176.094 0.021 0.000 1.052 99 V CA -0.861 61.526 62.300 0.145 0.000 0.885 99 V CB 1.041 32.733 31.823 -0.218 0.000 0.999 99 V HN 0.523 nan 8.190 nan 0.000 0.424 100 W N 4.562 125.653 121.300 -0.347 0.000 2.578 100 W HA 0.759 5.419 4.660 0.000 0.000 0.346 100 W C -0.688 175.583 176.519 -0.413 0.000 1.075 100 W CA -0.552 56.684 57.345 -0.182 0.000 1.233 100 W CB 0.876 30.307 29.460 -0.049 0.000 1.358 100 W HN 0.423 nan 8.180 nan 0.000 0.574 101 Y N 0.231 120.759 120.300 0.381 0.000 2.669 101 Y HA 0.565 5.116 4.550 0.000 0.000 0.335 101 Y C -0.386 175.886 175.900 0.621 0.000 1.116 101 Y CA -1.575 56.815 58.100 0.483 0.000 1.081 101 Y CB 2.566 41.193 38.460 0.279 0.000 1.297 101 Y HN 0.425 nan 8.280 nan 0.000 0.484 102 E N 0.931 121.748 120.200 1.028 0.000 2.431 102 E HA 0.533 4.884 4.350 0.000 0.000 0.287 102 E C -2.003 174.686 176.600 0.148 0.000 1.032 102 E CA -0.784 55.959 56.400 0.571 0.000 0.839 102 E CB 2.039 31.958 29.700 0.365 0.000 1.218 102 E HN 0.580 nan 8.360 nan 0.000 0.424 103 R N 1.629 121.977 120.500 -0.252 0.000 2.643 103 R HA 0.318 4.658 4.340 0.000 0.000 0.269 103 R C -1.691 174.465 176.300 -0.240 0.000 1.037 103 R CA -0.403 55.366 56.100 -0.552 0.000 0.894 103 R CB 1.678 31.141 30.300 -1.395 0.000 1.238 103 R HN 0.409 nan 8.270 nan 0.000 0.459 104 E N 3.300 123.399 120.200 -0.169 0.000 2.173 104 E HA 0.242 4.592 4.350 0.000 0.000 0.249 104 E C -0.553 176.004 176.600 -0.072 0.000 0.923 104 E CA -0.637 55.721 56.400 -0.070 0.000 0.754 104 E CB 1.576 31.266 29.700 -0.017 0.000 1.177 104 E HN 0.290 nan 8.360 nan 0.000 0.430 105 V N 2.990 122.872 119.914 -0.054 0.000 2.881 105 V HA 0.169 4.289 4.120 0.000 0.000 0.303 105 V C 0.555 176.641 176.094 -0.012 0.000 1.070 105 V CA -0.411 61.870 62.300 -0.033 0.000 1.074 105 V CB 1.081 32.909 31.823 0.008 0.000 1.012 105 V HN 0.569 nan 8.190 nan 0.000 0.482 106 I N 4.712 125.259 120.570 -0.039 0.000 2.330 106 I HA 0.254 4.424 4.170 0.000 0.000 0.286 106 I C -0.301 175.758 176.117 -0.097 0.000 1.025 106 I CA -0.385 60.884 61.300 -0.052 0.000 1.197 106 I CB 1.229 39.185 38.000 -0.074 0.000 1.358 106 I HN 0.345 nan 8.210 nan 0.000 0.467 107 L N 8.407 129.609 121.223 -0.034 0.000 2.367 107 L HA 0.334 4.674 4.340 0.000 0.000 0.275 107 L C -1.922 174.834 176.870 -0.189 0.000 1.129 107 L CA -1.442 53.364 54.840 -0.057 0.000 0.839 107 L CB -0.119 42.098 42.059 0.263 0.000 1.133 107 L HN 0.153 nan 8.230 nan 0.000 0.453 108 P HA 0.003 nan 4.420 nan 0.000 0.270 108 P C 0.835 178.113 177.300 -0.036 0.000 1.227 108 P CA -0.066 62.831 63.100 -0.338 0.000 0.788 108 P CB 0.874 32.211 31.700 -0.605 0.000 0.926 109 E N 1.452 121.645 120.200 -0.012 0.000 2.072 109 E HA -0.205 4.146 4.350 0.000 0.000 0.190 109 E C 1.629 178.287 176.600 0.097 0.000 0.982 109 E CA 0.831 57.257 56.400 0.043 0.000 0.803 109 E CB -0.017 29.693 29.700 0.017 0.000 0.755 109 E HN 0.147 nan 8.360 nan 0.000 0.453 110 R N 0.169 120.729 120.500 0.100 0.000 2.193 110 R HA -0.121 4.220 4.340 0.000 0.000 0.229 110 R C 1.883 178.337 176.300 0.257 0.000 1.110 110 R CA 0.769 56.954 56.100 0.143 0.000 0.988 110 R CB -0.666 29.706 30.300 0.121 0.000 0.871 110 R HN 0.513 nan 8.270 nan 0.000 0.458 111 W N 1.133 122.428 121.300 -0.008 0.000 2.329 111 W HA -0.203 4.457 4.660 0.000 0.000 0.324 111 W C 1.313 177.824 176.519 -0.012 0.000 1.222 111 W CA 1.616 58.953 57.345 -0.013 0.000 1.270 111 W CB -0.090 29.363 29.460 -0.011 0.000 1.167 111 W HN 0.112 nan 8.180 nan 0.000 0.467 112 T N -1.036 113.677 114.554 0.265 0.000 3.324 112 T HA 0.112 4.462 4.350 0.000 0.000 0.250 112 T C 0.236 174.984 174.700 0.080 0.000 1.059 112 T CA 0.274 62.451 62.100 0.128 0.000 0.951 112 T CB -0.047 68.893 68.868 0.121 0.000 1.030 112 T HN 0.228 nan 8.240 nan 0.000 0.576 113 Q N -0.018 119.829 119.800 0.078 0.000 2.556 113 Q HA 0.204 4.544 4.340 0.000 0.000 0.301 113 Q C -0.566 175.461 176.000 0.045 0.000 0.768 113 Q CA -0.039 55.795 55.803 0.052 0.000 1.054 113 Q CB 0.773 29.541 28.738 0.050 0.000 1.425 113 Q HN 0.282 nan 8.270 nan 0.000 0.378 114 D N -0.801 119.622 120.400 0.037 0.000 2.460 114 D HA 0.121 4.761 4.640 0.000 0.000 0.263 114 D C 0.435 176.744 176.300 0.015 0.000 1.209 114 D CA -0.036 53.982 54.000 0.030 0.000 0.818 114 D CB 0.610 41.436 40.800 0.043 0.000 1.239 114 D HN 0.171 nan 8.370 nan 0.000 0.530 115 L N -0.215 121.010 121.223 0.003 0.000 4.708 115 L HA -0.313 4.027 4.340 0.000 0.000 0.447 115 L C 1.352 178.218 176.870 -0.008 0.000 1.091 115 L CA 1.321 56.158 54.840 -0.005 0.000 0.937 115 L CB -1.079 40.982 42.059 0.003 0.000 1.771 115 L HN 0.087 nan 8.230 nan 0.000 1.002 116 R N -1.160 119.337 120.500 -0.005 0.000 2.254 116 R HA 0.219 4.560 4.340 0.000 0.000 0.193 116 R C 0.832 177.121 176.300 -0.020 0.000 0.929 116 R CA 0.895 56.995 56.100 0.000 0.000 1.038 116 R CB 0.185 30.494 30.300 0.016 0.000 1.009 116 R HN 0.569 nan 8.270 nan 0.000 0.512 117 T N -0.813 113.715 114.554 -0.044 0.000 2.897 117 T HA 0.298 4.648 4.350 0.000 0.000 0.294 117 T C 0.012 174.613 174.700 -0.164 0.000 1.004 117 T CA -0.736 61.301 62.100 -0.104 0.000 1.106 117 T CB 1.645 70.439 68.868 -0.123 0.000 0.949 117 T HN 0.053 nan 8.240 nan 0.000 0.520 118 R N 2.193 122.554 120.500 -0.232 0.000 2.320 118 R HA 0.508 4.848 4.340 0.000 0.000 0.319 118 R C -1.079 174.941 176.300 -0.468 0.000 0.969 118 R CA -0.757 55.166 56.100 -0.295 0.000 0.857 118 R CB 1.100 31.231 30.300 -0.283 0.000 1.160 118 R HN 0.614 nan 8.270 nan 0.000 0.491 119 V N 7.019 126.647 119.914 -0.476 0.000 2.304 119 V HA 0.298 4.418 4.120 0.000 0.000 0.262 119 V C -0.772 175.035 176.094 -0.478 0.000 1.061 119 V CA -0.383 61.558 62.300 -0.599 0.000 0.872 119 V CB 1.150 32.547 31.823 -0.710 0.000 1.077 119 V HN 0.512 nan 8.190 nan 0.000 0.480 120 V N 7.845 127.389 119.914 -0.618 0.000 2.406 120 V HA 0.365 4.486 4.120 0.000 0.000 0.272 120 V C 0.114 176.119 176.094 -0.149 0.000 1.043 120 V CA -0.679 61.356 62.300 -0.442 0.000 0.915 120 V CB 1.232 32.655 31.823 -0.667 0.000 0.988 120 V HN 0.759 nan 8.190 nan 0.000 0.466 121 L N 6.220 127.411 121.223 -0.053 0.000 2.290 121 L HA 0.550 4.890 4.340 0.000 0.000 0.284 121 L C -0.013 176.868 176.870 0.017 0.000 1.078 121 L CA 0.288 55.142 54.840 0.023 0.000 0.815 121 L CB 0.637 42.709 42.059 0.021 0.000 1.162 121 L HN 0.723 nan 8.230 nan 0.000 0.435 122 R N 4.950 125.461 120.500 0.018 0.000 2.740 122 R HA 0.736 5.076 4.340 0.000 0.000 0.282 122 R C -1.380 174.785 176.300 -0.225 0.000 0.969 122 R CA -0.734 55.304 56.100 -0.103 0.000 0.918 122 R CB 1.366 31.633 30.300 -0.055 0.000 1.175 122 R HN 0.633 nan 8.270 nan 0.000 0.464 123 I N 2.379 122.665 120.570 -0.473 0.000 2.545 123 I HA 0.286 4.456 4.170 0.000 0.000 0.292 123 I C 1.093 176.929 176.117 -0.467 0.000 1.040 123 I CA -0.615 60.353 61.300 -0.555 0.000 1.068 123 I CB 1.639 39.020 38.000 -1.031 0.000 1.251 123 I HN 0.945 nan 8.210 nan 0.000 0.424 124 G N 3.695 112.322 108.800 -0.288 0.000 2.551 124 G HA2 0.139 4.100 3.960 0.000 0.000 0.216 124 G HA3 0.139 4.100 3.960 0.000 0.000 0.216 124 G C 0.351 175.149 174.900 -0.171 0.000 1.137 124 G CA 0.820 45.798 45.100 -0.202 0.000 0.798 124 G HN 0.792 nan 8.290 nan 0.000 0.536 125 S N -2.729 112.866 115.700 -0.176 0.000 2.715 125 S HA 0.644 5.115 4.470 0.000 0.000 0.290 125 S C -0.538 174.063 174.600 0.002 0.000 1.008 125 S CA 0.088 58.253 58.200 -0.058 0.000 0.850 125 S CB 0.874 63.992 63.200 -0.137 0.000 1.059 125 S HN 1.053 nan 8.310 nan 0.000 0.455 126 A N 1.518 124.436 122.820 0.164 0.000 3.474 126 A HA 0.933 5.253 4.320 0.000 0.000 0.187 126 A C 0.172 177.838 177.584 0.136 0.000 1.195 126 A CA 0.101 52.247 52.037 0.181 0.000 1.405 126 A CB -0.321 18.884 19.000 0.341 0.000 1.629 126 A HN 1.193 nan 8.150 nan 0.000 0.632 127 H N -1.717 117.402 119.070 0.081 0.000 4.439 127 H HA 0.475 5.031 4.556 0.000 0.000 0.333 127 H C 1.544 176.908 175.328 0.060 0.000 1.354 127 H CA 0.506 56.584 56.048 0.051 0.000 0.910 127 H CB 0.310 30.126 29.762 0.090 0.000 1.131 127 H HN 0.324 nan 8.280 nan 0.000 0.641 128 S N -0.924 114.714 115.700 -0.104 0.000 2.461 128 S HA 0.059 4.529 4.470 0.000 0.000 0.228 128 S C -0.564 174.067 174.600 0.051 0.000 1.005 128 S CA 0.621 58.748 58.200 -0.121 0.000 0.942 128 S CB 0.165 63.172 63.200 -0.322 0.000 0.776 128 S HN 0.408 nan 8.310 nan 0.000 0.514 129 Y N -0.193 120.061 120.300 -0.077 0.000 2.376 129 Y HA 0.493 5.043 4.550 0.000 0.000 0.321 129 Y C -1.221 174.770 175.900 0.153 0.000 1.189 129 Y CA -1.020 57.075 58.100 -0.008 0.000 1.069 129 Y CB 0.849 39.285 38.460 -0.041 0.000 1.292 129 Y HN -0.027 nan 8.280 nan 0.000 0.430 130 A N 6.194 128.943 122.820 -0.117 0.000 2.343 130 A HA 0.857 5.177 4.320 0.000 0.000 0.316 130 A C -1.498 176.100 177.584 0.024 0.000 1.104 130 A CA -0.622 51.478 52.037 0.105 0.000 0.768 130 A CB 0.804 19.878 19.000 0.123 0.000 1.213 130 A HN 0.633 nan 8.150 nan 0.000 0.456 131 I N 3.133 123.765 120.570 0.103 0.000 2.411 131 I HA 0.286 4.456 4.170 0.000 0.000 0.284 131 I C -0.806 175.018 176.117 -0.488 0.000 1.012 131 I CA -0.736 60.402 61.300 -0.269 0.000 1.119 131 I CB 1.854 39.605 38.000 -0.415 0.000 1.261 131 I HN 0.317 nan 8.210 nan 0.000 0.448 132 V N 5.567 125.227 119.914 -0.423 0.000 2.383 132 V HA 0.238 4.358 4.120 0.000 0.000 0.275 132 V C -1.024 174.832 176.094 -0.397 0.000 1.036 132 V CA -0.402 61.769 62.300 -0.215 0.000 0.889 132 V CB 0.604 32.449 31.823 0.037 0.000 0.985 132 V HN 0.579 nan 8.190 nan 0.000 0.459 133 W N 4.330 125.680 121.300 0.083 0.000 2.347 133 W HA 0.688 5.348 4.660 0.000 0.000 0.321 133 W C 0.138 176.723 176.519 0.109 0.000 0.971 133 W CA -0.642 56.748 57.345 0.075 0.000 1.508 133 W CB 0.368 29.881 29.460 0.088 0.000 1.299 133 W HN 0.338 nan 8.180 nan 0.000 0.399 134 V N 0.879 120.934 119.914 0.235 0.000 3.654 134 V HA 0.058 4.178 4.120 0.000 0.000 0.204 134 V C 1.134 177.315 176.094 0.146 0.000 1.135 134 V CA -0.061 62.345 62.300 0.177 0.000 1.368 134 V CB -0.727 31.166 31.823 0.115 0.000 1.519 134 V HN 0.354 nan 8.190 nan 0.000 0.496 135 N N 1.733 120.494 118.700 0.102 0.000 3.063 135 N HA 0.105 4.845 4.740 0.000 0.000 0.327 135 N C 1.000 176.565 175.510 0.092 0.000 1.225 135 N CA 0.822 53.919 53.050 0.078 0.000 1.184 135 N CB -0.818 37.696 38.487 0.045 0.000 1.438 135 N HN 0.805 nan 8.380 nan 0.000 0.555 136 G N -0.202 108.668 108.800 0.117 0.000 2.338 136 G HA2 -0.157 3.803 3.960 0.000 0.000 0.296 136 G HA3 -0.157 3.803 3.960 0.000 0.000 0.296 136 G C 0.017 175.006 174.900 0.148 0.000 1.040 136 G CA 0.718 45.893 45.100 0.124 0.000 1.004 136 G HN 0.823 nan 8.290 nan 0.000 0.509 137 V N -1.796 118.237 119.914 0.198 0.000 2.970 137 V HA 0.260 4.381 4.120 0.000 0.000 0.281 137 V C -1.072 175.148 176.094 0.209 0.000 1.967 137 V CA -0.148 62.285 62.300 0.221 0.000 0.908 137 V CB 0.668 32.570 31.823 0.132 0.000 1.298 137 V HN 0.468 nan 8.190 nan 0.000 0.407 138 D N 1.143 121.610 120.400 0.112 0.000 2.382 138 D HA 0.312 4.952 4.640 0.000 0.000 0.259 138 D C 0.765 176.993 176.300 -0.121 0.000 1.224 138 D CA 1.122 55.009 54.000 -0.189 0.000 0.894 138 D CB 1.523 42.158 40.800 -0.274 0.000 1.127 138 D HN 0.713 nan 8.370 nan 0.000 0.487 139 T N 3.207 117.683 114.554 -0.130 0.000 2.990 139 T HA 0.154 4.504 4.350 0.000 0.000 0.249 139 T C 0.175 174.836 174.700 -0.065 0.000 1.039 139 T CA -0.187 61.879 62.100 -0.058 0.000 1.036 139 T CB 0.510 69.375 68.868 -0.006 0.000 0.994 139 T HN 0.276 nan 8.240 nan 0.000 0.489 140 L N 0.758 121.912 121.223 -0.115 0.000 2.582 140 L HA 0.585 4.925 4.340 0.000 0.000 0.257 140 L C -2.011 174.777 176.870 -0.137 0.000 0.974 140 L CA -0.480 54.330 54.840 -0.050 0.000 0.851 140 L CB 2.380 44.502 42.059 0.104 0.000 1.424 140 L HN -0.063 nan 8.230 nan 0.000 0.412 141 E N 0.970 121.076 120.200 -0.156 0.000 2.390 141 E HA 0.558 4.908 4.350 0.000 0.000 0.277 141 E C -1.970 174.348 176.600 -0.471 0.000 0.939 141 E CA -0.885 55.329 56.400 -0.311 0.000 0.769 141 E CB 2.532 32.129 29.700 -0.172 0.000 1.251 141 E HN 0.661 nan 8.360 nan 0.000 0.450 142 H N 0.453 118.942 119.070 -0.968 0.000 3.038 142 H HA 0.313 4.870 4.556 0.000 0.000 0.362 142 H C -1.769 173.007 175.328 -0.919 0.000 1.167 142 H CA -0.725 54.752 56.048 -0.951 0.000 1.197 142 H CB 1.680 30.500 29.762 -1.570 0.000 1.840 142 H HN 0.391 nan 8.280 nan 0.000 0.540 143 E N 3.769 123.415 120.200 -0.923 0.000 2.134 143 E HA 0.485 4.835 4.350 0.000 0.000 0.278 143 E C 0.927 177.359 176.600 -0.282 0.000 0.959 143 E CA 0.298 56.442 56.400 -0.427 0.000 0.783 143 E CB 0.707 30.351 29.700 -0.094 0.000 1.095 143 E HN 0.995 nan 8.360 nan 0.000 0.399 144 G N 3.733 112.509 108.800 -0.040 0.000 2.602 144 G HA2 -0.009 3.951 3.960 0.000 0.000 0.317 144 G HA3 -0.009 3.951 3.960 0.000 0.000 0.317 144 G C 0.777 175.791 174.900 0.189 0.000 1.327 144 G CA 0.275 45.434 45.100 0.098 0.000 0.971 144 G HN 1.813 nan 8.290 nan 0.000 0.540 145 G N -3.236 105.705 108.800 0.234 0.000 2.916 145 G HA2 0.110 4.071 3.960 0.000 0.000 0.533 145 G HA3 0.110 4.071 3.960 0.000 0.000 0.533 145 G C -0.229 174.901 174.900 0.385 0.000 1.516 145 G CA 0.732 46.005 45.100 0.289 0.000 0.944 145 G HN 1.757 nan 8.290 nan 0.000 0.555 146 Y N 0.032 120.383 120.300 0.085 0.000 2.685 146 Y HA 0.576 5.126 4.550 0.000 0.000 0.339 146 Y C 0.743 176.675 175.900 0.054 0.000 0.961 146 Y CA -0.422 57.701 58.100 0.039 0.000 1.330 146 Y CB 0.119 38.584 38.460 0.008 0.000 1.269 146 Y HN 0.504 nan 8.280 nan 0.000 0.566 147 L N 1.303 122.624 121.223 0.163 0.000 2.303 147 L HA 0.704 5.044 4.340 0.000 0.000 0.256 147 L C -2.496 174.382 176.870 0.013 0.000 1.034 147 L CA -2.032 52.867 54.840 0.097 0.000 0.832 147 L CB 2.251 44.389 42.059 0.131 0.000 1.403 147 L HN -0.121 nan 8.230 nan 0.000 0.419 148 P HA 0.494 nan 4.420 nan 0.000 0.283 148 P C -1.652 175.649 177.300 0.003 0.000 1.271 148 P CA -0.417 62.638 63.100 -0.076 0.000 0.841 148 P CB 1.424 33.064 31.700 -0.100 0.000 1.122 149 F N -1.897 117.898 119.950 -0.259 0.000 2.581 149 F HA 0.634 5.161 4.527 0.000 0.000 0.311 149 F C -0.595 175.157 175.800 -0.081 0.000 1.113 149 F CA -1.394 56.497 58.000 -0.182 0.000 0.935 149 F CB 1.352 40.200 39.000 -0.254 0.000 1.232 149 F HN 0.306 nan 8.300 nan 0.000 0.445 150 E N 2.085 122.320 120.200 0.058 0.000 2.227 150 E HA 0.909 5.259 4.350 0.000 0.000 0.268 150 E C -1.244 175.381 176.600 0.042 0.000 0.907 150 E CA -1.322 55.090 56.400 0.021 0.000 0.786 150 E CB 2.435 32.167 29.700 0.053 0.000 1.191 150 E HN 0.956 nan 8.360 nan 0.000 0.411 151 A N 2.052 124.877 122.820 0.008 0.000 2.443 151 A HA 0.646 4.966 4.320 0.000 0.000 0.278 151 A C -0.572 176.978 177.584 -0.057 0.000 1.252 151 A CA -0.268 51.766 52.037 -0.005 0.000 0.816 151 A CB 0.866 19.872 19.000 0.011 0.000 1.369 151 A HN 0.885 nan 8.150 nan 0.000 0.446 152 D N -2.146 118.222 120.400 -0.053 0.000 11.052 152 D HA -0.187 4.453 4.640 0.000 0.000 0.365 152 D C 0.481 176.707 176.300 -0.123 0.000 3.091 152 D CA 1.600 55.552 54.000 -0.080 0.000 2.581 152 D CB -0.255 40.489 40.800 -0.093 0.000 1.116 152 D HN 1.065 nan 8.370 nan 0.000 0.945 153 I N -1.998 118.501 120.570 -0.119 0.000 4.033 153 I HA 0.293 4.463 4.170 0.000 0.000 0.296 153 I C 1.593 177.605 176.117 -0.175 0.000 1.210 153 I CA 0.594 61.811 61.300 -0.139 0.000 1.341 153 I CB 0.441 38.406 38.000 -0.060 0.000 1.369 153 I HN 0.276 nan 8.210 nan 0.000 0.453 154 S N 0.140 115.755 115.700 -0.142 0.000 3.897 154 S HA 0.090 4.560 4.470 0.000 0.000 0.214 154 S C 0.248 174.779 174.600 -0.114 0.000 1.102 154 S CA -0.190 57.917 58.200 -0.156 0.000 1.116 154 S CB -0.867 62.267 63.200 -0.110 0.000 1.288 154 S HN 0.447 nan 8.310 nan 0.000 0.458 155 N N 1.871 120.529 118.700 -0.070 0.000 1.981 155 N HA -0.130 4.610 4.740 0.000 0.000 0.289 155 N C -0.253 175.237 175.510 -0.033 0.000 1.371 155 N CA 0.285 53.313 53.050 -0.038 0.000 0.932 155 N CB 0.024 38.497 38.487 -0.024 0.000 1.309 155 N HN 0.311 nan 8.380 nan 0.000 0.487 156 L N 5.657 126.868 121.223 -0.020 0.000 3.141 156 L HA 0.239 4.579 4.340 0.000 0.000 0.267 156 L C 0.428 177.315 176.870 0.029 0.000 1.281 156 L CA -0.086 54.755 54.840 0.001 0.000 1.037 156 L CB 0.286 42.344 42.059 -0.002 0.000 1.407 156 L HN 0.407 nan 8.230 nan 0.000 0.566 157 V N 0.663 120.593 119.914 0.026 0.000 5.767 157 V HA -0.409 3.711 4.120 0.000 0.000 0.311 157 V C 1.342 177.457 176.094 0.034 0.000 0.532 157 V CA 1.319 63.640 62.300 0.034 0.000 0.659 157 V CB -1.201 30.651 31.823 0.048 0.000 0.353 157 V HN 0.800 nan 8.190 nan 0.000 1.082 158 Q N 0.660 120.477 119.800 0.027 0.000 2.224 158 Q HA 0.050 4.390 4.340 0.000 0.000 0.203 158 Q C 1.122 177.137 176.000 0.027 0.000 0.970 158 Q CA 1.544 57.364 55.803 0.028 0.000 0.865 158 Q CB -0.010 28.741 28.738 0.022 0.000 0.922 158 Q HN 1.307 nan 8.270 nan 0.000 0.445 159 V N -0.760 119.169 119.914 0.025 0.000 2.393 159 V HA 0.438 4.559 4.120 0.000 0.000 0.257 159 V C 0.685 176.795 176.094 0.027 0.000 1.040 159 V CA 0.115 62.429 62.300 0.024 0.000 1.097 159 V CB -0.791 31.045 31.823 0.022 0.000 1.101 159 V HN 0.396 nan 8.190 nan 0.000 0.479 160 G N 5.386 114.202 108.800 0.026 0.000 2.422 160 G HA2 -0.121 3.839 3.960 0.000 0.000 0.290 160 G HA3 -0.121 3.839 3.960 0.000 0.000 0.290 160 G C -1.426 173.492 174.900 0.030 0.000 1.059 160 G CA 0.081 45.197 45.100 0.026 0.000 1.242 160 G HN 0.868 nan 8.290 nan 0.000 0.520 161 P HA 0.501 nan 4.420 nan 0.000 0.383 161 P C 1.318 178.637 177.300 0.032 0.000 0.722 161 P CA 0.758 63.879 63.100 0.035 0.000 1.807 161 P CB 0.325 32.049 31.700 0.040 0.000 0.963 162 L N -2.605 118.638 121.223 0.032 0.000 4.543 162 L HA -0.065 4.275 4.340 0.000 0.000 0.054 162 L C -1.966 174.922 176.870 0.030 0.000 4.015 162 L CA 0.728 55.585 54.840 0.029 0.000 0.816 162 L CB -2.425 39.648 42.059 0.024 0.000 3.416 162 L HN 0.114 nan 8.230 nan 0.000 1.100 163 P HA 0.258 nan 4.420 nan 0.000 0.273 163 P C -0.920 176.400 177.300 0.033 0.000 1.428 163 P CA 0.107 63.222 63.100 0.025 0.000 0.995 163 P CB 0.955 32.666 31.700 0.020 0.000 1.286 164 S N 4.020 119.744 115.700 0.040 0.000 2.808 164 S HA -0.022 4.448 4.470 0.000 0.000 0.342 164 S C 0.413 175.042 174.600 0.049 0.000 1.154 164 S CA -0.153 58.082 58.200 0.059 0.000 1.476 164 S CB -0.883 62.368 63.200 0.084 0.000 1.290 164 S HN 0.428 nan 8.310 nan 0.000 0.582 165 R N 1.420 121.950 120.500 0.051 0.000 2.472 165 R HA 0.516 4.857 4.340 0.000 0.000 0.294 165 R C -1.170 175.165 176.300 0.059 0.000 1.243 165 R CA -0.841 55.285 56.100 0.043 0.000 1.023 165 R CB 0.346 30.664 30.300 0.031 0.000 1.157 165 R HN 0.305 nan 8.270 nan 0.000 0.530 166 L N 2.623 123.888 121.223 0.069 0.000 2.360 166 L HA 0.311 4.651 4.340 0.000 0.000 0.276 166 L C -0.104 176.805 176.870 0.065 0.000 1.121 166 L CA 0.014 54.903 54.840 0.081 0.000 0.845 166 L CB 0.608 42.729 42.059 0.104 0.000 1.143 166 L HN 0.675 nan 8.230 nan 0.000 0.452 167 R N 6.329 126.880 120.500 0.085 0.000 2.215 167 R HA 0.514 4.854 4.340 0.000 0.000 0.337 167 R C -1.062 175.322 176.300 0.138 0.000 1.010 167 R CA -0.453 55.703 56.100 0.093 0.000 0.871 167 R CB 0.315 30.679 30.300 0.106 0.000 1.134 167 R HN 0.710 nan 8.270 nan 0.000 0.477 168 I N 3.120 123.765 120.570 0.126 0.000 2.437 168 I HA 0.366 4.536 4.170 0.000 0.000 0.298 168 I C -0.163 176.159 176.117 0.342 0.000 0.984 168 I CA -0.738 60.695 61.300 0.223 0.000 1.214 168 I CB 2.159 40.283 38.000 0.207 0.000 1.365 168 I HN 0.521 nan 8.210 nan 0.000 0.469 169 T N 6.276 121.109 114.554 0.465 0.000 2.912 169 T HA 0.679 5.029 4.350 0.000 0.000 0.299 169 T C -0.458 174.645 174.700 0.671 0.000 1.052 169 T CA -0.466 61.981 62.100 0.579 0.000 0.996 169 T CB 1.923 71.096 68.868 0.508 0.000 1.070 169 T HN 0.318 nan 8.240 nan 0.000 0.465 170 I N 1.542 122.452 120.570 0.566 0.000 2.656 170 I HA 0.705 4.875 4.170 0.000 0.000 0.292 170 I C -0.609 175.658 176.117 0.250 0.000 1.144 170 I CA -1.220 60.326 61.300 0.410 0.000 1.038 170 I CB 2.109 40.323 38.000 0.357 0.000 1.244 170 I HN 0.745 nan 8.210 nan 0.000 0.420 171 A N 6.990 129.888 122.820 0.130 0.000 2.365 171 A HA 0.939 5.259 4.320 0.000 0.000 0.318 171 A C -0.892 176.946 177.584 0.424 0.000 1.091 171 A CA -0.495 51.479 52.037 -0.105 0.000 0.763 171 A CB 1.457 20.077 19.000 -0.633 0.000 1.248 171 A HN 0.645 nan 8.150 nan 0.000 0.442 172 I N 1.069 121.946 120.570 0.512 0.000 2.934 172 I HA 0.352 4.522 4.170 0.000 0.000 0.306 172 I C -0.209 176.042 176.117 0.224 0.000 1.110 172 I CA -0.746 60.822 61.300 0.446 0.000 1.019 172 I CB 2.671 40.922 38.000 0.418 0.000 1.227 172 I HN 0.798 nan 8.210 nan 0.000 0.434 173 N N 1.897 120.568 118.700 -0.048 0.000 2.518 173 N HA 0.259 4.999 4.740 0.000 0.000 0.284 173 N C -0.434 174.999 175.510 -0.128 0.000 1.230 173 N CA -0.762 52.089 53.050 -0.331 0.000 0.941 173 N CB 0.881 38.982 38.487 -0.644 0.000 1.219 173 N HN 0.709 nan 8.380 nan 0.000 0.560 174 N N -1.096 117.475 118.700 -0.214 0.000 2.174 174 N HA -0.128 4.613 4.740 0.000 0.000 0.215 174 N C 0.245 175.667 175.510 -0.146 0.000 1.322 174 N CA 0.409 53.382 53.050 -0.128 0.000 0.880 174 N CB 0.269 38.667 38.487 -0.148 0.000 1.090 174 N HN 0.439 nan 8.380 nan 0.000 0.436 175 T N -0.601 113.932 114.554 -0.035 0.000 2.595 175 T HA -0.034 4.316 4.350 0.000 0.000 0.264 175 T C 0.596 175.278 174.700 -0.030 0.000 1.058 175 T CA 0.763 62.883 62.100 0.032 0.000 1.166 175 T CB -0.138 68.750 68.868 0.034 0.000 0.863 175 T HN 0.379 nan 8.240 nan 0.000 0.415 176 L N -1.666 119.532 121.223 -0.041 0.000 2.892 176 L HA 0.653 4.993 4.340 0.000 0.000 0.269 176 L C -0.428 176.395 176.870 -0.079 0.000 1.058 176 L CA -0.497 54.311 54.840 -0.054 0.000 0.923 176 L CB 1.477 43.562 42.059 0.044 0.000 1.518 176 L HN 0.202 nan 8.230 nan 0.000 0.402 177 T N -0.522 113.957 114.554 -0.126 0.000 2.762 177 T HA 0.521 4.871 4.350 0.000 0.000 0.301 177 T C -2.369 172.187 174.700 -0.240 0.000 1.299 177 T CA -0.923 61.097 62.100 -0.134 0.000 1.005 177 T CB 2.190 70.985 68.868 -0.121 0.000 1.377 177 T HN 0.298 nan 8.240 nan 0.000 0.504 178 P HA 0.080 nan 4.420 nan 0.000 0.229 178 P C 0.939 178.101 177.300 -0.230 0.000 1.160 178 P CA 0.875 63.828 63.100 -0.244 0.000 0.777 178 P CB 0.031 31.780 31.700 0.083 0.000 0.814 179 T N -5.366 109.066 114.554 -0.204 0.000 3.023 179 T HA 0.087 4.437 4.350 0.000 0.000 0.253 179 T C 0.967 175.394 174.700 -0.455 0.000 1.038 179 T CA 0.052 62.010 62.100 -0.237 0.000 0.962 179 T CB -0.843 67.933 68.868 -0.153 0.000 1.018 179 T HN 0.134 nan 8.240 nan 0.000 0.521 180 T N 0.906 115.220 114.554 -0.399 0.000 2.814 180 T HA 0.691 5.041 4.350 0.000 0.000 0.284 180 T C -0.339 174.185 174.700 -0.293 0.000 0.998 180 T CA -0.856 60.991 62.100 -0.421 0.000 0.935 180 T CB 0.633 69.372 68.868 -0.215 0.000 1.167 180 T HN 0.211 nan 8.240 nan 0.000 0.545 181 L N 0.875 122.039 121.223 -0.098 0.000 2.528 181 L HA 0.401 4.741 4.340 0.000 0.000 0.267 181 L C -2.757 174.125 176.870 0.021 0.000 0.961 181 L CA -2.175 52.659 54.840 -0.010 0.000 0.866 181 L CB 2.522 44.633 42.059 0.087 0.000 1.248 181 L HN 0.497 nan 8.230 nan 0.000 0.404 182 P HA 0.070 nan 4.420 nan 0.000 0.266 182 P C -2.502 174.743 177.300 -0.092 0.000 1.195 182 P CA -0.623 62.388 63.100 -0.149 0.000 0.768 182 P CB 0.048 31.422 31.700 -0.544 0.000 0.838 183 P HA 0.280 nan 4.420 nan 0.000 0.288 183 P C -0.278 176.900 177.300 -0.204 0.000 1.267 183 P CA 0.051 62.949 63.100 -0.336 0.000 0.815 183 P CB 1.592 32.893 31.700 -0.666 0.000 0.989 184 G N 0.500 109.124 108.800 -0.294 0.000 3.086 184 G HA2 0.718 4.678 3.960 0.000 0.000 0.282 184 G HA3 0.718 4.678 3.960 0.000 0.000 0.282 184 G C -1.463 173.447 174.900 0.016 0.000 1.343 184 G CA -0.663 44.417 45.100 -0.033 0.000 0.895 184 G HN 0.461 nan 8.290 nan 0.000 0.557 185 T N 0.262 114.905 114.554 0.147 0.000 3.393 185 T HA 0.378 4.729 4.350 0.000 0.000 0.359 185 T C -0.809 173.977 174.700 0.142 0.000 1.380 185 T CA -0.416 61.805 62.100 0.201 0.000 1.132 185 T CB 1.162 70.255 68.868 0.375 0.000 1.284 185 T HN 0.379 nan 8.240 nan 0.000 0.477 186 I N 2.364 123.008 120.570 0.124 0.000 3.062 186 I HA 0.729 4.899 4.170 0.000 0.000 0.318 186 I C 0.095 176.294 176.117 0.137 0.000 1.026 186 I CA -0.672 60.700 61.300 0.121 0.000 1.096 186 I CB 1.570 39.642 38.000 0.119 0.000 1.348 186 I HN 0.731 nan 8.210 nan 0.000 0.543 187 Q N 1.520 121.392 119.800 0.121 0.000 2.613 187 Q HA 0.287 4.627 4.340 0.000 0.000 0.231 187 Q C -2.176 173.894 176.000 0.117 0.000 0.879 187 Q CA -0.269 55.627 55.803 0.155 0.000 1.083 187 Q CB 0.480 29.287 28.738 0.116 0.000 1.588 187 Q HN 0.359 nan 8.270 nan 0.000 0.500 188 Y N 2.975 123.348 120.300 0.122 0.000 2.316 188 Y HA 0.619 5.169 4.550 0.000 0.000 0.324 188 Y C 0.089 176.042 175.900 0.087 0.000 1.267 188 Y CA -0.483 57.706 58.100 0.148 0.000 1.311 188 Y CB 1.113 39.634 38.460 0.103 0.000 1.267 188 Y HN 0.601 nan 8.280 nan 0.000 0.516 189 L N 2.213 123.565 121.223 0.216 0.000 2.490 189 L HA 0.274 4.614 4.340 0.000 0.000 0.256 189 L C -0.546 176.410 176.870 0.144 0.000 1.089 189 L CA -0.831 54.036 54.840 0.045 0.000 0.916 189 L CB 0.858 42.684 42.059 -0.390 0.000 1.188 189 L HN 0.638 nan 8.230 nan 0.000 0.476 190 T N -2.315 112.339 114.554 0.166 0.000 2.758 190 T HA -0.043 4.307 4.350 0.000 0.000 0.281 190 T C 0.472 175.270 174.700 0.163 0.000 0.963 190 T CA -0.514 61.683 62.100 0.161 0.000 1.201 190 T CB 0.317 69.254 68.868 0.116 0.000 0.906 190 T HN 0.420 nan 8.240 nan 0.000 0.528 191 D N 3.993 124.499 120.400 0.176 0.000 6.342 191 D HA -0.139 4.501 4.640 0.000 0.000 0.190 191 D C 1.025 177.399 176.300 0.122 0.000 1.340 191 D CA 0.828 54.921 54.000 0.156 0.000 0.816 191 D CB 0.100 40.968 40.800 0.114 0.000 1.452 191 D HN 0.813 nan 8.370 nan 0.000 0.840 192 T N -0.012 114.629 114.554 0.145 0.000 3.260 192 T HA 0.363 4.713 4.350 0.000 0.000 0.254 192 T C 0.950 175.665 174.700 0.024 0.000 0.951 192 T CA 0.077 62.235 62.100 0.096 0.000 0.918 192 T CB 0.280 69.235 68.868 0.145 0.000 1.098 192 T HN 0.280 nan 8.240 nan 0.000 0.563 193 S N -0.118 115.583 115.700 0.002 0.000 1.565 193 S HA -0.129 4.341 4.470 0.000 0.000 0.246 193 S C 0.119 174.659 174.600 -0.101 0.000 0.839 193 S CA 0.953 59.130 58.200 -0.037 0.000 1.251 193 S CB -0.815 62.359 63.200 -0.043 0.000 1.483 193 S HN 0.780 nan 8.310 nan 0.000 0.514 194 K N 0.305 120.588 120.400 -0.196 0.000 2.295 194 K HA 0.704 5.024 4.320 0.000 0.000 0.239 194 K C -1.067 175.271 176.600 -0.437 0.000 0.991 194 K CA -0.754 55.259 56.287 -0.457 0.000 0.845 194 K CB 0.875 32.880 32.500 -0.825 0.000 1.197 194 K HN 0.217 nan 8.250 nan 0.000 0.441 195 Y N -2.835 117.346 120.300 -0.199 0.000 2.564 195 Y HA -0.199 4.352 4.550 0.000 0.000 0.026 195 Y C -2.571 173.293 175.900 -0.060 0.000 1.760 195 Y CA -1.036 56.875 58.100 -0.316 0.000 1.378 195 Y CB -1.789 36.369 38.460 -0.503 0.000 2.026 195 Y HN 0.535 nan 8.280 nan 0.000 0.263 196 P HA 0.062 nan 4.420 nan 0.000 0.280 196 P C 0.870 178.317 177.300 0.244 0.000 1.278 196 P CA -0.233 62.996 63.100 0.215 0.000 0.787 196 P CB 0.708 32.567 31.700 0.266 0.000 1.163 197 K N 0.627 121.150 120.400 0.205 0.000 1.969 197 K HA -0.114 4.206 4.320 0.000 0.000 0.223 197 K C 1.836 178.588 176.600 0.252 0.000 1.048 197 K CA 2.407 58.811 56.287 0.194 0.000 0.983 197 K CB -1.511 31.079 32.500 0.150 0.000 0.738 197 K HN 0.574 nan 8.250 nan 0.000 0.446 198 G N -0.942 108.020 108.800 0.271 0.000 3.210 198 G HA2 -0.105 3.855 3.960 0.000 0.000 0.220 198 G HA3 -0.105 3.855 3.960 0.000 0.000 0.220 198 G C -0.401 174.774 174.900 0.458 0.000 1.200 198 G CA -0.303 45.004 45.100 0.344 0.000 0.834 198 G HN 0.365 nan 8.290 nan 0.000 0.524 199 Y N 2.090 122.545 120.300 0.258 0.000 2.729 199 Y HA 0.356 4.906 4.550 0.000 0.000 0.331 199 Y C -0.089 175.867 175.900 0.093 0.000 1.208 199 Y CA -1.205 56.992 58.100 0.162 0.000 1.521 199 Y CB -0.260 38.285 38.460 0.141 0.000 1.233 199 Y HN 0.211 nan 8.280 nan 0.000 0.539 200 F N 4.253 124.003 119.950 -0.332 0.000 2.613 200 F HA 0.816 5.343 4.527 0.000 0.000 0.314 200 F C -1.975 173.536 175.800 -0.482 0.000 1.075 200 F CA -1.540 56.140 58.000 -0.532 0.000 0.945 200 F CB 0.788 39.041 39.000 -1.246 0.000 1.310 200 F HN 0.204 nan 8.300 nan 0.000 0.467 201 V N 1.202 120.967 119.914 -0.248 0.000 3.078 201 V HA 0.500 4.620 4.120 0.000 0.000 0.311 201 V C -1.430 174.609 176.094 -0.093 0.000 1.138 201 V CA -0.592 61.547 62.300 -0.269 0.000 1.007 201 V CB 2.288 34.041 31.823 -0.117 0.000 1.045 201 V HN 0.920 nan 8.190 nan 0.000 0.432 202 Q N 3.661 123.396 119.800 -0.108 0.000 2.400 202 Q HA 0.421 4.762 4.340 0.000 0.000 0.255 202 Q C -0.808 175.166 176.000 -0.045 0.000 1.008 202 Q CA -0.090 55.691 55.803 -0.036 0.000 0.841 202 Q CB 0.724 29.432 28.738 -0.050 0.000 1.220 202 Q HN 0.710 nan 8.270 nan 0.000 0.474 203 N N 2.760 121.459 118.700 -0.002 0.000 2.438 203 N HA 0.411 5.151 4.740 0.000 0.000 0.282 203 N C -0.758 174.708 175.510 -0.073 0.000 1.037 203 N CA -0.081 52.935 53.050 -0.058 0.000 0.942 203 N CB 1.674 40.201 38.487 0.067 0.000 1.136 203 N HN 0.724 nan 8.380 nan 0.000 0.481 204 T N -1.501 112.839 114.554 -0.358 0.000 2.901 204 T HA 0.536 4.886 4.350 0.000 0.000 0.293 204 T C -0.722 173.517 174.700 -0.767 0.000 1.084 204 T CA -0.563 61.324 62.100 -0.355 0.000 1.008 204 T CB 1.070 69.607 68.868 -0.552 0.000 1.170 204 T HN 0.375 nan 8.240 nan 0.000 0.509 205 Y N 0.752 120.984 120.300 -0.112 0.000 2.666 205 Y HA 0.474 5.024 4.550 0.000 0.000 0.264 205 Y C -0.522 175.390 175.900 0.019 0.000 1.054 205 Y CA -1.643 56.451 58.100 -0.010 0.000 1.121 205 Y CB 0.044 38.596 38.460 0.154 0.000 1.190 205 Y HN 0.728 nan 8.280 nan 0.000 0.587 206 F N -2.892 117.056 119.950 -0.003 0.000 2.593 206 F HA 0.639 5.166 4.527 0.000 0.000 0.320 206 F C -0.151 175.664 175.800 0.025 0.000 1.060 206 F CA -1.780 56.204 58.000 -0.028 0.000 0.940 206 F CB 1.122 39.963 39.000 -0.265 0.000 1.268 206 F HN -0.254 nan 8.300 nan 0.000 0.475 207 D N 2.354 123.032 120.400 0.462 0.000 2.845 207 D HA 0.292 4.932 4.640 0.000 0.000 0.235 207 D C -1.296 175.587 176.300 0.972 0.000 1.158 207 D CA 0.254 54.597 54.000 0.572 0.000 0.990 207 D CB -0.596 40.556 40.800 0.587 0.000 1.094 207 D HN 0.494 nan 8.370 nan 0.000 0.486 208 F N -1.180 119.144 119.950 0.624 0.000 2.744 208 F HA 0.375 4.902 4.527 0.000 0.000 0.311 208 F C -1.587 174.597 175.800 0.640 0.000 1.144 208 F CA -1.762 56.643 58.000 0.675 0.000 0.938 208 F CB 0.411 39.816 39.000 0.676 0.000 1.292 208 F HN -0.188 nan 8.300 nan 0.000 0.444 209 F N 3.413 123.734 119.950 0.619 0.000 2.427 209 F HA 0.311 4.838 4.527 0.000 0.000 0.352 209 F C 0.564 176.604 175.800 0.400 0.000 1.100 209 F CA -0.564 57.605 58.000 0.281 0.000 1.191 209 F CB 0.664 39.631 39.000 -0.056 0.000 1.128 209 F HN 0.712 nan 8.300 nan 0.000 0.533 210 N N 6.520 125.141 118.700 -0.132 0.000 2.739 210 N HA -0.021 4.719 4.740 0.000 0.000 0.266 210 N C -0.935 174.333 175.510 -0.403 0.000 1.168 210 N CA -0.076 52.974 53.050 -0.001 0.000 1.055 210 N CB -0.077 38.539 38.487 0.215 0.000 1.393 210 N HN 0.514 nan 8.380 nan 0.000 0.514 211 Y N 1.222 121.350 120.300 -0.288 0.000 2.357 211 Y HA 0.285 4.836 4.550 0.000 0.000 0.340 211 Y C 0.985 176.602 175.900 -0.472 0.000 1.260 211 Y CA 0.093 57.965 58.100 -0.380 0.000 1.425 211 Y CB 0.953 39.318 38.460 -0.159 0.000 1.326 211 Y HN 0.458 nan 8.280 nan 0.000 0.580 212 A N 0.609 123.209 122.820 -0.366 0.000 2.539 212 A HA 0.899 5.219 4.320 0.000 0.000 0.272 212 A C 0.039 177.593 177.584 -0.049 0.000 1.286 212 A CA -0.306 51.566 52.037 -0.275 0.000 0.792 212 A CB 0.773 19.880 19.000 0.178 0.000 1.355 212 A HN 1.478 nan 8.150 nan 0.000 0.472 213 G N -2.020 107.043 108.800 0.438 0.000 2.712 213 G HA2 0.145 4.105 3.960 0.000 0.000 0.683 213 G HA3 0.145 4.105 3.960 0.000 0.000 0.683 213 G C -0.708 174.268 174.900 0.127 0.000 1.320 213 G CA -0.339 45.120 45.100 0.598 0.000 0.847 213 G HN 1.258 nan 8.290 nan 0.000 0.553 214 L N 0.984 122.125 121.223 -0.138 0.000 2.407 214 L HA 0.315 4.655 4.340 0.000 0.000 0.282 214 L C 1.612 178.331 176.870 -0.251 0.000 1.110 214 L CA 0.121 54.757 54.840 -0.340 0.000 0.863 214 L CB 0.947 42.560 42.059 -0.743 0.000 1.207 214 L HN 0.720 nan 8.230 nan 0.000 0.454 215 Q N 2.867 122.545 119.800 -0.202 0.000 2.281 215 Q HA 0.234 4.574 4.340 0.000 0.000 0.215 215 Q C 0.119 176.031 176.000 -0.147 0.000 0.867 215 Q CA 0.174 55.870 55.803 -0.178 0.000 0.940 215 Q CB 0.828 29.440 28.738 -0.210 0.000 1.111 215 Q HN 0.584 nan 8.270 nan 0.000 0.513 216 R N 0.086 120.485 120.500 -0.168 0.000 3.045 216 R HA 0.391 4.731 4.340 0.000 0.000 0.245 216 R C -0.242 175.965 176.300 -0.154 0.000 1.333 216 R CA -0.620 55.388 56.100 -0.154 0.000 1.036 216 R CB 0.530 30.722 30.300 -0.180 0.000 1.340 216 R HN 0.037 nan 8.270 nan 0.000 0.488 217 S N 0.070 115.676 115.700 -0.157 0.000 2.599 217 S HA 0.054 4.524 4.470 0.000 0.000 0.303 217 S C 0.145 174.688 174.600 -0.096 0.000 1.267 217 S CA -0.432 57.708 58.200 -0.101 0.000 1.055 217 S CB 0.182 63.336 63.200 -0.078 0.000 0.790 217 S HN 0.306 nan 8.310 nan 0.000 0.500 218 V N 4.822 124.725 119.914 -0.019 0.000 2.454 218 V HA 0.418 4.538 4.120 0.000 0.000 0.267 218 V C -0.672 175.478 176.094 0.093 0.000 0.993 218 V CA -0.666 61.653 62.300 0.032 0.000 0.836 218 V CB 0.176 32.079 31.823 0.134 0.000 1.055 218 V HN 0.934 nan 8.190 nan 0.000 0.452 219 L N 2.390 123.644 121.223 0.052 0.000 2.439 219 L HA 0.775 5.115 4.340 0.000 0.000 0.270 219 L C -0.805 176.145 176.870 0.133 0.000 0.972 219 L CA -0.551 54.342 54.840 0.088 0.000 0.836 219 L CB 1.727 43.812 42.059 0.044 0.000 1.255 219 L HN 0.247 nan 8.230 nan 0.000 0.404 220 L N 4.472 125.807 121.223 0.187 0.000 2.380 220 L HA 0.467 4.807 4.340 0.000 0.000 0.273 220 L C -0.338 176.717 176.870 0.308 0.000 1.138 220 L CA -0.168 54.806 54.840 0.223 0.000 0.832 220 L CB 0.567 42.782 42.059 0.259 0.000 1.124 220 L HN 0.826 nan 8.230 nan 0.000 0.454 221 Y N 1.036 121.310 120.300 -0.043 0.000 2.715 221 Y HA 0.849 5.399 4.550 0.000 0.000 0.331 221 Y C -0.532 175.214 175.900 -0.257 0.000 1.197 221 Y CA -1.518 56.537 58.100 -0.075 0.000 1.079 221 Y CB 1.436 39.855 38.460 -0.069 0.000 1.298 221 Y HN 0.519 nan 8.280 nan 0.000 0.477 222 T N -0.851 113.516 114.554 -0.310 0.000 2.900 222 T HA 0.776 5.127 4.350 0.000 0.000 0.303 222 T C -0.701 173.854 174.700 -0.242 0.000 1.142 222 T CA -0.143 61.677 62.100 -0.466 0.000 1.007 222 T CB 1.518 70.086 68.868 -0.500 0.000 1.156 222 T HN 1.402 nan 8.240 nan 0.000 0.490 223 T N -1.136 113.258 114.554 -0.268 0.000 2.778 223 T HA 0.825 5.175 4.350 0.000 0.000 0.293 223 T C -3.091 171.568 174.700 -0.068 0.000 1.144 223 T CA -1.821 60.215 62.100 -0.107 0.000 1.010 223 T CB 1.546 70.338 68.868 -0.126 0.000 1.325 223 T HN 0.571 nan 8.240 nan 0.000 0.515 224 P HA 0.202 nan 4.420 nan 0.000 0.293 224 P C 1.057 178.401 177.300 0.074 0.000 1.304 224 P CA -0.072 63.049 63.100 0.035 0.000 0.767 224 P CB 0.383 32.119 31.700 0.061 0.000 1.247 225 T N -4.705 109.886 114.554 0.062 0.000 2.995 225 T HA 0.004 4.355 4.350 0.000 0.000 0.269 225 T C 0.707 175.484 174.700 0.127 0.000 1.091 225 T CA 1.026 63.185 62.100 0.099 0.000 1.128 225 T CB -1.059 67.833 68.868 0.041 0.000 0.891 225 T HN 0.279 nan 8.240 nan 0.000 0.492 226 T N 2.949 117.527 114.554 0.039 0.000 2.874 226 T HA 0.537 4.887 4.350 0.000 0.000 0.321 226 T C -1.159 173.486 174.700 -0.090 0.000 1.075 226 T CA -0.820 61.206 62.100 -0.123 0.000 0.966 226 T CB 0.001 68.796 68.868 -0.123 0.000 1.001 226 T HN 0.535 nan 8.240 nan 0.000 0.476 227 Y N 0.475 120.699 120.300 -0.126 0.000 2.524 227 Y HA 0.698 5.249 4.550 0.000 0.000 0.344 227 Y C -0.091 175.723 175.900 -0.143 0.000 1.012 227 Y CA -2.004 56.030 58.100 -0.109 0.000 1.068 227 Y CB 0.651 39.064 38.460 -0.078 0.000 1.249 227 Y HN 0.367 nan 8.280 nan 0.000 0.468 228 I N 2.832 123.416 120.570 0.024 0.000 2.668 228 I HA -0.051 4.119 4.170 0.000 0.000 0.309 228 I C 0.721 176.848 176.117 0.017 0.000 1.195 228 I CA 0.659 61.923 61.300 -0.060 0.000 1.919 228 I CB -0.484 37.505 38.000 -0.018 0.000 1.551 228 I HN 0.863 nan 8.210 nan 0.000 0.908 229 D N 3.462 123.858 120.400 -0.007 0.000 2.133 229 D HA -0.229 4.411 4.640 0.000 0.000 0.195 229 D C 0.578 176.889 176.300 0.018 0.000 0.997 229 D CA 1.554 55.640 54.000 0.143 0.000 0.840 229 D CB 0.343 41.133 40.800 -0.016 0.000 0.947 229 D HN 0.530 nan 8.370 nan 0.000 0.452 230 D N -1.210 119.153 120.400 -0.061 0.000 2.614 230 D HA 0.112 4.752 4.640 0.000 0.000 0.203 230 D C -0.461 175.796 176.300 -0.071 0.000 1.312 230 D CA -0.456 53.497 54.000 -0.079 0.000 0.889 230 D CB 0.518 41.293 40.800 -0.042 0.000 1.615 230 D HN 0.115 nan 8.370 nan 0.000 0.567 231 I N 0.836 121.356 120.570 -0.083 0.000 4.202 231 I HA 0.604 4.774 4.170 0.000 0.000 0.242 231 I C 0.367 176.478 176.117 -0.010 0.000 1.483 231 I CA -0.527 60.761 61.300 -0.019 0.000 1.007 231 I CB 1.331 39.333 38.000 0.004 0.000 1.638 231 I HN 0.314 nan 8.210 nan 0.000 0.682 232 T N 0.839 115.406 114.554 0.022 0.000 3.619 232 T HA 0.303 4.653 4.350 0.000 0.000 0.445 232 T C -1.308 173.413 174.700 0.036 0.000 1.406 232 T CA -0.649 61.458 62.100 0.011 0.000 1.078 232 T CB 0.787 69.651 68.868 -0.006 0.000 1.447 232 T HN 0.636 nan 8.240 nan 0.000 0.441 233 V N 0.866 120.790 119.914 0.018 0.000 2.769 233 V HA 1.033 5.153 4.120 0.000 0.000 0.312 233 V C -0.203 175.886 176.094 -0.007 0.000 1.061 233 V CA -0.611 61.704 62.300 0.025 0.000 0.931 233 V CB 2.061 33.895 31.823 0.020 0.000 1.010 233 V HN 0.990 nan 8.190 nan 0.000 0.433 234 T N 2.291 116.841 114.554 -0.006 0.000 2.881 234 T HA 0.786 5.136 4.350 0.000 0.000 0.290 234 T C -0.264 174.418 174.700 -0.030 0.000 1.000 234 T CA 0.401 62.487 62.100 -0.024 0.000 0.978 234 T CB 1.485 70.343 68.868 -0.017 0.000 0.997 234 T HN 1.597 nan 8.240 nan 0.000 0.443 235 T N 1.428 115.951 114.554 -0.051 0.000 2.910 235 T HA 0.912 5.262 4.350 0.000 0.000 0.287 235 T C -0.282 174.384 174.700 -0.057 0.000 1.050 235 T CA -0.661 61.405 62.100 -0.057 0.000 1.011 235 T CB 1.840 70.662 68.868 -0.076 0.000 1.195 235 T HN 0.675 nan 8.240 nan 0.000 0.540 236 S N -1.181 114.487 115.700 -0.053 0.000 2.755 236 S HA 0.711 5.181 4.470 0.000 0.000 0.286 236 S C -1.741 172.834 174.600 -0.042 0.000 1.207 236 S CA -0.699 57.472 58.200 -0.048 0.000 0.892 236 S CB 1.226 64.405 63.200 -0.035 0.000 1.240 236 S HN 0.950 nan 8.310 nan 0.000 0.525 237 V N 1.627 121.522 119.914 -0.030 0.000 2.733 237 V HA 0.542 4.663 4.120 0.000 0.000 0.306 237 V C -1.307 174.785 176.094 -0.004 0.000 1.084 237 V CA -0.503 61.787 62.300 -0.016 0.000 0.905 237 V CB 1.870 33.683 31.823 -0.017 0.000 1.010 237 V HN 0.859 nan 8.190 nan 0.000 0.424 238 E N 3.916 124.119 120.200 0.005 0.000 3.386 238 E HA 0.259 4.609 4.350 0.000 0.000 0.236 238 E C 0.316 176.927 176.600 0.019 0.000 1.227 238 E CA -0.160 56.245 56.400 0.009 0.000 0.970 238 E CB 1.536 31.238 29.700 0.004 0.000 1.343 238 E HN 0.817 nan 8.360 nan 0.000 0.397 239 Q N 1.166 120.982 119.800 0.026 0.000 1.984 239 Q HA -0.316 4.024 4.340 0.000 0.000 0.269 239 Q C -0.668 175.356 176.000 0.041 0.000 2.610 239 Q CA 2.613 58.437 55.803 0.035 0.000 0.582 239 Q CB -1.048 27.708 28.738 0.030 0.000 1.004 239 Q HN 0.502 nan 8.270 nan 0.000 0.603 240 D N 2.343 122.763 120.400 0.034 0.000 2.597 240 D HA 0.358 4.999 4.640 0.000 0.000 0.228 240 D C -0.212 176.110 176.300 0.037 0.000 1.120 240 D CA 0.881 54.903 54.000 0.037 0.000 1.083 240 D CB 0.152 40.970 40.800 0.030 0.000 1.116 240 D HN 0.505 nan 8.370 nan 0.000 0.487 241 S N -0.606 115.123 115.700 0.050 0.000 3.845 241 S HA -0.046 4.425 4.470 0.000 0.000 0.641 241 S C 0.809 175.424 174.600 0.024 0.000 1.900 241 S CA -0.236 57.994 58.200 0.051 0.000 2.062 241 S CB -0.874 62.356 63.200 0.050 0.000 0.327 241 S HN 0.590 nan 8.310 nan 0.000 1.788 242 G N -0.387 108.418 108.800 0.008 0.000 2.606 242 G HA2 0.745 4.705 3.960 0.000 0.000 0.262 242 G HA3 0.745 4.705 3.960 0.000 0.000 0.262 242 G C -0.753 174.124 174.900 -0.039 0.000 1.394 242 G CA -0.425 44.663 45.100 -0.020 0.000 1.044 242 G HN 1.622 nan 8.290 nan 0.000 0.553 243 L N -2.340 118.852 121.223 -0.052 0.000 2.845 243 L HA 0.388 4.728 4.340 0.000 0.000 0.253 243 L C -0.716 176.128 176.870 -0.043 0.000 0.959 243 L CA -0.895 53.916 54.840 -0.047 0.000 1.001 243 L CB 0.977 43.022 42.059 -0.023 0.000 1.374 243 L HN 0.246 nan 8.230 nan 0.000 0.469 244 V N 2.286 122.165 119.914 -0.059 0.000 2.521 244 V HA 0.189 4.309 4.120 0.000 0.000 0.286 244 V C 0.262 176.382 176.094 0.044 0.000 1.034 244 V CA 0.355 62.637 62.300 -0.030 0.000 1.045 244 V CB 0.839 32.623 31.823 -0.064 0.000 0.974 244 V HN 0.810 nan 8.190 nan 0.000 0.480 245 N N 4.571 123.303 118.700 0.053 0.000 2.424 245 N HA 0.447 5.187 4.740 0.000 0.000 0.271 245 N C -1.174 174.413 175.510 0.128 0.000 0.985 245 N CA -0.430 52.665 53.050 0.075 0.000 0.921 245 N CB 1.987 40.478 38.487 0.006 0.000 1.149 245 N HN 0.726 nan 8.380 nan 0.000 0.492 246 Y N 0.198 120.480 120.300 -0.030 0.000 2.528 246 Y HA 0.535 5.085 4.550 0.000 0.000 0.335 246 Y C -0.828 175.059 175.900 -0.021 0.000 1.093 246 Y CA -0.921 57.163 58.100 -0.025 0.000 1.134 246 Y CB 1.183 39.630 38.460 -0.021 0.000 1.253 246 Y HN 0.231 nan 8.280 nan 0.000 0.478 247 Q N 3.247 123.079 119.800 0.054 0.000 2.359 247 Q HA 0.626 4.966 4.340 0.000 0.000 0.274 247 Q C -1.303 174.736 176.000 0.064 0.000 1.074 247 Q CA -0.577 55.205 55.803 -0.034 0.000 0.810 247 Q CB 3.370 32.086 28.738 -0.035 0.000 1.342 247 Q HN 0.946 nan 8.270 nan 0.000 0.427 248 I N -0.037 120.558 120.570 0.040 0.000 3.074 248 I HA 0.584 4.754 4.170 0.000 0.000 0.310 248 I C -0.490 175.621 176.117 -0.010 0.000 1.153 248 I CA -0.825 60.502 61.300 0.044 0.000 0.993 248 I CB 2.470 40.532 38.000 0.104 0.000 1.237 248 I HN 0.432 nan 8.210 nan 0.000 0.443 249 S N 1.778 117.448 115.700 -0.050 0.000 2.546 249 S HA 0.750 5.220 4.470 0.000 0.000 0.272 249 S C -1.314 173.186 174.600 -0.167 0.000 1.140 249 S CA -0.421 57.731 58.200 -0.081 0.000 0.920 249 S CB 1.645 64.805 63.200 -0.066 0.000 1.083 249 S HN 0.298 nan 8.310 nan 0.000 0.476 250 V N 3.206 122.974 119.914 -0.243 0.000 3.103 250 V HA 0.722 4.842 4.120 0.000 0.000 0.318 250 V C -0.667 175.158 176.094 -0.449 0.000 1.114 250 V CA -0.923 61.115 62.300 -0.436 0.000 1.020 250 V CB 2.226 33.612 31.823 -0.728 0.000 1.085 250 V HN 0.813 nan 8.190 nan 0.000 0.446 251 K N 1.319 121.310 120.400 -0.683 0.000 2.626 251 K HA 0.668 4.988 4.320 0.000 0.000 0.223 251 K C -0.288 176.060 176.600 -0.419 0.000 0.992 251 K CA 0.698 56.625 56.287 -0.599 0.000 1.024 251 K CB 0.655 32.595 32.500 -0.934 0.000 1.225 251 K HN 1.265 nan 8.250 nan 0.000 0.498 252 G N 1.250 109.924 108.800 -0.211 0.000 2.352 252 G HA2 0.142 4.102 3.960 0.000 0.000 0.324 252 G HA3 0.142 4.102 3.960 0.000 0.000 0.324 252 G C 0.001 174.889 174.900 -0.020 0.000 1.249 252 G CA 0.180 45.219 45.100 -0.102 0.000 1.053 252 G HN 1.415 nan 8.290 nan 0.000 0.492 253 S N -1.558 114.148 115.700 0.009 0.000 3.949 253 S HA -0.307 4.164 4.470 0.000 0.000 0.626 253 S C 1.195 175.849 174.600 0.090 0.000 2.168 253 S CA 2.835 61.073 58.200 0.063 0.000 4.124 253 S CB -1.306 61.957 63.200 0.105 0.000 0.220 253 S HN 2.385 nan 8.310 nan 0.000 0.750 254 N N -1.707 117.078 118.700 0.141 0.000 2.532 254 N HA 0.262 5.003 4.740 0.000 0.000 0.324 254 N C -1.287 174.225 175.510 0.005 0.000 0.609 254 N CA 0.350 53.440 53.050 0.066 0.000 1.102 254 N CB -0.090 38.404 38.487 0.011 0.000 2.059 254 N HN 0.442 nan 8.380 nan 0.000 1.570 255 L N 2.610 123.845 121.223 0.020 0.000 2.290 255 L HA 0.601 4.942 4.340 0.000 0.000 0.284 255 L C -0.843 176.083 176.870 0.093 0.000 1.078 255 L CA -0.253 54.557 54.840 -0.049 0.000 0.815 255 L CB -0.168 41.882 42.059 -0.015 0.000 1.162 255 L HN 0.259 nan 8.230 nan 0.000 0.435 256 F N 0.951 120.883 119.950 -0.030 0.000 2.978 256 F HA 0.770 5.297 4.527 0.000 0.000 0.324 256 F C -1.463 174.318 175.800 -0.032 0.000 1.157 256 F CA -1.249 56.731 58.000 -0.033 0.000 0.879 256 F CB 1.353 40.328 39.000 -0.043 0.000 1.364 256 F HN 0.128 nan 8.300 nan 0.000 0.465 257 K N 1.506 122.121 120.400 0.358 0.000 2.501 257 K HA 0.670 4.990 4.320 0.000 0.000 0.252 257 K C -2.163 174.571 176.600 0.223 0.000 0.934 257 K CA -0.522 55.884 56.287 0.198 0.000 0.797 257 K CB 2.320 34.861 32.500 0.068 0.000 1.270 257 K HN 0.855 nan 8.250 nan 0.000 0.431 258 L N 2.442 123.778 121.223 0.189 0.000 2.349 258 L HA 0.467 4.807 4.340 0.000 0.000 0.278 258 L C -0.491 176.425 176.870 0.077 0.000 0.996 258 L CA -0.510 54.404 54.840 0.125 0.000 0.825 258 L CB 1.934 44.105 42.059 0.187 0.000 1.243 258 L HN 0.610 nan 8.230 nan 0.000 0.412 259 E N 3.355 123.560 120.200 0.010 0.000 2.260 259 E HA 0.551 4.901 4.350 0.000 0.000 0.266 259 E C -1.401 175.154 176.600 -0.074 0.000 0.887 259 E CA -0.712 55.681 56.400 -0.012 0.000 0.777 259 E CB 2.170 31.859 29.700 -0.018 0.000 1.205 259 E HN 0.345 nan 8.360 nan 0.000 0.414 260 V N 1.792 121.626 119.914 -0.134 0.000 2.732 260 V HA 0.793 4.913 4.120 0.000 0.000 0.310 260 V C -0.453 175.541 176.094 -0.168 0.000 1.053 260 V CA -0.862 61.307 62.300 -0.219 0.000 0.957 260 V CB 1.473 32.992 31.823 -0.507 0.000 1.018 260 V HN 0.802 nan 8.190 nan 0.000 0.452 261 R N 2.581 123.006 120.500 -0.125 0.000 2.740 261 R HA 0.837 5.177 4.340 0.000 0.000 0.273 261 R C -2.045 174.215 176.300 -0.067 0.000 0.998 261 R CA -0.940 55.113 56.100 -0.078 0.000 0.900 261 R CB 2.100 32.383 30.300 -0.028 0.000 1.223 261 R HN 0.680 nan 8.270 nan 0.000 0.466 262 L N 3.374 124.564 121.223 -0.055 0.000 2.319 262 L HA 0.472 4.812 4.340 0.000 0.000 0.281 262 L C -1.333 175.559 176.870 0.036 0.000 1.005 262 L CA -0.758 54.060 54.840 -0.037 0.000 0.828 262 L CB 1.628 43.618 42.059 -0.115 0.000 1.227 262 L HN 0.740 nan 8.230 nan 0.000 0.415 263 L N 1.822 123.099 121.223 0.091 0.000 2.325 263 L HA 0.774 5.114 4.340 0.000 0.000 0.278 263 L C 0.067 177.085 176.870 0.247 0.000 1.023 263 L CA -0.832 54.093 54.840 0.141 0.000 0.811 263 L CB 1.098 43.215 42.059 0.097 0.000 1.249 263 L HN 0.631 nan 8.230 nan 0.000 0.431 264 D N 2.821 123.394 120.400 0.288 0.000 2.249 264 D HA 0.121 4.761 4.640 0.000 0.000 0.269 264 D C 1.567 177.947 176.300 0.133 0.000 1.220 264 D CA 0.276 54.428 54.000 0.252 0.000 1.016 264 D CB -0.037 40.961 40.800 0.330 0.000 1.133 264 D HN 0.712 nan 8.370 nan 0.000 0.533 265 A N -0.616 122.347 122.820 0.238 0.000 2.038 265 A HA -0.308 4.012 4.320 0.000 0.000 0.224 265 A C 1.477 179.133 177.584 0.120 0.000 1.190 265 A CA 3.012 55.199 52.037 0.250 0.000 0.668 265 A CB -0.768 18.308 19.000 0.127 0.000 0.820 265 A HN 0.679 nan 8.150 nan 0.000 0.474 266 E N -3.275 116.981 120.200 0.092 0.000 3.275 266 E HA 0.249 4.599 4.350 0.000 0.000 0.182 266 E C 0.904 177.542 176.600 0.063 0.000 1.217 266 E CA 0.454 56.892 56.400 0.062 0.000 1.276 266 E CB 0.134 29.860 29.700 0.044 0.000 1.980 266 E HN 0.472 nan 8.360 nan 0.000 0.516 267 N N -0.564 118.176 118.700 0.066 0.000 2.330 267 N HA 0.110 4.850 4.740 0.000 0.000 0.249 267 N C -1.090 174.463 175.510 0.071 0.000 1.413 267 N CA -0.015 53.074 53.050 0.065 0.000 0.817 267 N CB 0.393 38.908 38.487 0.046 0.000 1.362 267 N HN -0.135 nan 8.380 nan 0.000 0.499 268 K N 1.776 122.229 120.400 0.088 0.000 2.363 268 K HA 0.161 4.481 4.320 0.000 0.000 0.289 268 K C -0.216 176.444 176.600 0.099 0.000 1.063 268 K CA -0.159 56.181 56.287 0.088 0.000 0.967 268 K CB 0.906 33.467 32.500 0.101 0.000 0.987 268 K HN -0.020 nan 8.250 nan 0.000 0.473 269 V N 4.958 124.916 119.914 0.074 0.000 2.493 269 V HA -0.058 4.062 4.120 0.000 0.000 0.292 269 V C 0.904 177.038 176.094 0.067 0.000 1.016 269 V CA 0.258 62.596 62.300 0.064 0.000 1.097 269 V CB 1.106 32.956 31.823 0.044 0.000 0.947 269 V HN 0.633 nan 8.190 nan 0.000 0.479 270 V N 4.058 124.013 119.914 0.068 0.000 3.477 270 V HA 0.762 4.883 4.120 0.000 0.000 0.297 270 V C 0.502 176.600 176.094 0.006 0.000 1.433 270 V CA 0.924 63.259 62.300 0.059 0.000 1.052 270 V CB 0.286 32.183 31.823 0.122 0.000 0.895 270 V HN 1.057 nan 8.190 nan 0.000 0.438 271 A N 0.382 123.195 122.820 -0.011 0.000 2.583 271 A HA 0.706 5.026 4.320 0.000 0.000 0.292 271 A C -1.170 176.390 177.584 -0.040 0.000 1.045 271 A CA -0.465 51.551 52.037 -0.034 0.000 0.672 271 A CB 1.228 20.186 19.000 -0.070 0.000 1.283 271 A HN 0.337 nan 8.150 nan 0.000 0.419 272 N N -0.849 117.829 118.700 -0.037 0.000 2.371 272 N HA 0.622 5.362 4.740 0.000 0.000 0.280 272 N C -0.365 175.127 175.510 -0.031 0.000 1.084 272 N CA 0.139 53.163 53.050 -0.043 0.000 0.892 272 N CB 2.019 40.495 38.487 -0.020 0.000 1.653 272 N HN 1.193 nan 8.380 nan 0.000 0.480 273 G N -0.095 108.673 108.800 -0.053 0.000 2.730 273 G HA2 0.717 4.677 3.960 0.000 0.000 0.289 273 G HA3 0.717 4.677 3.960 0.000 0.000 0.289 273 G C -1.497 173.430 174.900 0.046 0.000 1.341 273 G CA -0.431 44.685 45.100 0.027 0.000 0.932 273 G HN 0.353 nan 8.290 nan 0.000 0.481 274 T N -0.477 114.160 114.554 0.137 0.000 3.566 274 T HA 0.689 5.039 4.350 0.000 0.000 0.330 274 T C 0.001 174.785 174.700 0.141 0.000 0.877 274 T CA 0.185 62.352 62.100 0.113 0.000 1.030 274 T CB 0.918 69.819 68.868 0.055 0.000 1.033 274 T HN 1.827 nan 8.240 nan 0.000 0.463 275 G N 0.602 109.514 108.800 0.187 0.000 2.327 275 G HA2 0.394 4.354 3.960 0.000 0.000 0.291 275 G HA3 0.394 4.354 3.960 0.000 0.000 0.291 275 G C -0.577 174.440 174.900 0.194 0.000 1.290 275 G CA -0.201 44.981 45.100 0.136 0.000 0.857 275 G HN 0.431 nan 8.290 nan 0.000 0.520 276 T N 0.327 114.948 114.554 0.112 0.000 3.275 276 T HA 0.543 4.893 4.350 0.000 0.000 0.265 276 T C -0.248 174.424 174.700 -0.047 0.000 0.978 276 T CA 0.312 62.480 62.100 0.113 0.000 0.923 276 T CB -0.698 68.270 68.868 0.167 0.000 1.126 276 T HN 0.676 nan 8.240 nan 0.000 0.538 277 Q N -0.295 119.362 119.800 -0.237 0.000 2.978 277 Q HA 0.432 4.773 4.340 0.000 0.000 0.207 277 Q C -0.886 174.724 176.000 -0.651 0.000 1.007 277 Q CA 0.036 55.551 55.803 -0.480 0.000 1.100 277 Q CB 0.976 29.576 28.738 -0.230 0.000 1.971 277 Q HN 0.585 nan 8.270 nan 0.000 0.536 278 G N 1.905 110.120 108.800 -0.976 0.000 2.364 278 G HA2 0.404 4.364 3.960 0.000 0.000 0.286 278 G HA3 0.404 4.364 3.960 0.000 0.000 0.286 278 G C -1.518 173.247 174.900 -0.226 0.000 1.241 278 G CA -0.277 44.525 45.100 -0.496 0.000 0.887 278 G HN 0.340 nan 8.290 nan 0.000 0.484 279 Q N -1.288 118.581 119.800 0.116 0.000 2.892 279 Q HA 0.834 5.174 4.340 0.000 0.000 0.307 279 Q C -1.440 174.684 176.000 0.206 0.000 1.039 279 Q CA -0.747 55.144 55.803 0.147 0.000 0.792 279 Q CB 2.463 31.232 28.738 0.052 0.000 1.504 279 Q HN 0.593 nan 8.270 nan 0.000 0.487 280 L N 1.598 122.875 121.223 0.089 0.000 3.007 280 L HA 0.146 4.486 4.340 0.000 0.000 0.237 280 L C -0.779 176.077 176.870 -0.023 0.000 0.965 280 L CA -0.198 54.654 54.840 0.020 0.000 1.116 280 L CB 1.182 43.227 42.059 -0.024 0.000 1.491 280 L HN 0.249 nan 8.230 nan 0.000 0.565 281 K N 3.319 123.708 120.400 -0.018 0.000 2.142 281 K HA 0.247 4.567 4.320 0.000 0.000 0.250 281 K C -0.221 176.354 176.600 -0.042 0.000 1.148 281 K CA -0.327 55.944 56.287 -0.027 0.000 1.040 281 K CB 0.440 32.935 32.500 -0.008 0.000 1.569 281 K HN 0.375 nan 8.250 nan 0.000 0.361 282 V N 3.321 123.184 119.914 -0.086 0.000 2.390 282 V HA 0.189 4.309 4.120 0.000 0.000 0.260 282 V C -1.699 174.371 176.094 -0.039 0.000 1.043 282 V CA -1.527 60.712 62.300 -0.102 0.000 1.047 282 V CB -0.429 31.236 31.823 -0.264 0.000 1.066 282 V HN 0.449 nan 8.190 nan 0.000 0.481 283 P HA 0.278 nan 4.420 nan 0.000 0.282 283 P C 1.118 178.465 177.300 0.077 0.000 1.286 283 P CA 1.050 64.173 63.100 0.038 0.000 0.777 283 P CB 0.785 32.506 31.700 0.035 0.000 1.184 284 G N -2.006 106.846 108.800 0.087 0.000 2.435 284 G HA2 -0.309 3.651 3.960 0.000 0.000 0.245 284 G HA3 -0.309 3.651 3.960 0.000 0.000 0.245 284 G C 0.325 175.315 174.900 0.151 0.000 1.073 284 G CA 0.256 45.425 45.100 0.115 0.000 0.638 284 G HN 0.828 nan 8.290 nan 0.000 0.521 285 V N -1.216 118.799 119.914 0.168 0.000 3.713 285 V HA 0.151 4.271 4.120 0.000 0.000 0.529 285 V C 0.452 176.744 176.094 0.330 0.000 0.682 285 V CA 1.993 64.418 62.300 0.209 0.000 2.089 285 V CB -0.088 31.834 31.823 0.165 0.000 2.494 285 V HN 2.365 nan 8.190 nan 0.000 0.516 286 S N 3.413 119.357 115.700 0.406 0.000 3.275 286 S HA 0.244 4.714 4.470 0.000 0.000 0.130 286 S C -0.757 174.183 174.600 0.568 0.000 0.772 286 S CA -0.111 58.410 58.200 0.536 0.000 0.791 286 S CB -0.266 63.346 63.200 0.686 0.000 1.421 286 S HN 0.835 nan 8.310 nan 0.000 0.596 287 L N 1.305 122.742 121.223 0.357 0.000 2.476 287 L HA 0.447 4.787 4.340 0.000 0.000 0.255 287 L C 0.514 177.365 176.870 -0.031 0.000 1.218 287 L CA -0.351 54.496 54.840 0.012 0.000 0.819 287 L CB 0.431 42.197 42.059 -0.488 0.000 1.119 287 L HN 0.689 nan 8.230 nan 0.000 0.485 288 W N 1.535 122.644 121.300 -0.319 0.000 2.318 288 W HA 0.309 4.969 4.660 0.000 0.000 0.362 288 W C -1.119 175.217 176.519 -0.305 0.000 0.978 288 W CA -0.751 56.501 57.345 -0.155 0.000 1.509 288 W CB 0.248 29.647 29.460 -0.103 0.000 1.437 288 W HN 0.269 nan 8.180 nan 0.000 0.361 289 W N 8.213 129.476 121.300 -0.061 0.000 2.381 289 W HA 0.397 5.058 4.660 0.000 0.000 0.329 289 W C -1.786 174.534 176.519 -0.332 0.000 1.157 289 W CA -2.326 54.986 57.345 -0.055 0.000 1.240 289 W CB 0.269 29.742 29.460 0.023 0.000 1.199 289 W HN 0.164 nan 8.180 nan 0.000 0.579 290 P HA -0.065 nan 4.420 nan 0.000 0.281 290 P C 0.419 177.803 177.300 0.140 0.000 1.249 290 P CA -0.258 62.846 63.100 0.007 0.000 0.810 290 P CB 0.967 32.761 31.700 0.157 0.000 1.008 291 Y N 2.358 122.635 120.300 -0.037 0.000 2.265 291 Y HA -0.258 4.292 4.550 0.000 0.000 0.280 291 Y C 1.843 177.735 175.900 -0.013 0.000 1.222 291 Y CA 1.376 59.462 58.100 -0.023 0.000 1.226 291 Y CB -1.000 37.449 38.460 -0.018 0.000 0.968 291 Y HN 0.182 nan 8.280 nan 0.000 0.540 292 L N 0.339 121.594 121.223 0.052 0.000 1.956 292 L HA -0.268 4.073 4.340 0.000 0.000 0.216 292 L C 2.220 179.097 176.870 0.012 0.000 1.073 292 L CA 3.161 57.973 54.840 -0.047 0.000 0.762 292 L CB -0.967 41.094 42.059 0.003 0.000 0.889 292 L HN 0.465 nan 8.230 nan 0.000 0.433 293 M N -2.176 117.499 119.600 0.124 0.000 2.738 293 M HA 0.053 4.533 4.480 0.000 0.000 0.256 293 M C 1.317 177.630 176.300 0.022 0.000 1.253 293 M CA 0.630 55.987 55.300 0.094 0.000 1.223 293 M CB -1.303 31.399 32.600 0.171 0.000 1.263 293 M HN 0.168 nan 8.290 nan 0.000 0.521 294 H N 1.936 120.927 119.070 -0.130 0.000 2.652 294 H HA 0.108 4.665 4.556 0.000 0.000 0.349 294 H C 0.065 175.293 175.328 -0.167 0.000 1.099 294 H CA 0.021 55.854 56.048 -0.360 0.000 1.417 294 H CB 1.541 30.801 29.762 -0.838 0.000 1.457 294 H HN 0.242 nan 8.280 nan 0.000 0.568 295 E N 2.098 121.948 120.200 -0.584 0.000 2.268 295 E HA -0.098 4.252 4.350 0.000 0.000 0.195 295 E C 0.669 177.100 176.600 -0.283 0.000 0.995 295 E CA 0.701 56.888 56.400 -0.355 0.000 0.836 295 E CB 0.190 29.674 29.700 -0.360 0.000 0.763 295 E HN 0.334 nan 8.360 nan 0.000 0.491 296 R N 1.127 121.402 120.500 -0.374 0.000 2.402 296 R HA 0.140 4.480 4.340 0.000 0.000 0.290 296 R C -2.408 173.992 176.300 0.167 0.000 1.321 296 R CA -1.913 54.142 56.100 -0.075 0.000 1.283 296 R CB 0.736 31.004 30.300 -0.054 0.000 1.111 296 R HN 0.000 nan 8.270 nan 0.000 0.578 297 P HA -0.039 nan 4.420 nan 0.000 0.224 297 P C 0.004 177.275 177.300 -0.048 0.000 1.190 297 P CA 0.299 63.472 63.100 0.122 0.000 0.644 297 P CB -0.037 31.678 31.700 0.024 0.000 0.895 298 A N -0.116 122.444 122.820 -0.434 0.000 3.093 298 A HA -0.083 4.237 4.320 0.000 0.000 0.287 298 A C -0.040 177.380 177.584 -0.273 0.000 1.952 298 A CA 0.182 51.660 52.037 -0.933 0.000 1.421 298 A CB -2.474 16.125 19.000 -0.668 0.000 0.943 298 A HN 0.306 nan 8.150 nan 0.000 0.599 299 Y N 2.864 123.032 120.300 -0.220 0.000 2.452 299 Y HA 0.465 5.015 4.550 0.000 0.000 0.348 299 Y C -0.293 175.694 175.900 0.145 0.000 0.985 299 Y CA -1.239 56.859 58.100 -0.003 0.000 1.214 299 Y CB 0.378 38.854 38.460 0.026 0.000 1.136 299 Y HN 0.473 nan 8.280 nan 0.000 0.523 300 L N 8.003 129.209 121.223 -0.029 0.000 2.272 300 L HA 0.338 4.679 4.340 0.000 0.000 0.289 300 L C -0.882 175.745 176.870 -0.405 0.000 1.032 300 L CA -0.779 54.002 54.840 -0.097 0.000 0.810 300 L CB 0.652 42.786 42.059 0.125 0.000 1.205 300 L HN 0.527 nan 8.230 nan 0.000 0.422 301 Y N 1.102 121.196 120.300 -0.344 0.000 2.376 301 Y HA 0.351 4.902 4.550 0.000 0.000 0.325 301 Y C 0.613 176.449 175.900 -0.107 0.000 1.199 301 Y CA -0.049 57.896 58.100 -0.258 0.000 1.206 301 Y CB 2.052 40.375 38.460 -0.229 0.000 1.229 301 Y HN 0.450 nan 8.280 nan 0.000 0.480 302 S N 2.223 117.995 115.700 0.121 0.000 2.472 302 S HA 0.469 4.939 4.470 0.000 0.000 0.303 302 S C -1.408 173.218 174.600 0.043 0.000 1.099 302 S CA -0.617 57.621 58.200 0.062 0.000 1.077 302 S CB 0.873 64.098 63.200 0.042 0.000 1.031 302 S HN 0.461 nan 8.310 nan 0.000 0.487 303 L N 3.489 124.723 121.223 0.018 0.000 2.264 303 L HA 0.476 4.816 4.340 0.000 0.000 0.289 303 L C -0.079 176.793 176.870 0.003 0.000 1.044 303 L CA 0.035 54.867 54.840 -0.012 0.000 0.807 303 L CB 1.038 43.080 42.059 -0.030 0.000 1.192 303 L HN 0.645 nan 8.230 nan 0.000 0.425 304 E N 4.063 124.259 120.200 -0.006 0.000 2.055 304 E HA 0.346 4.696 4.350 0.000 0.000 0.274 304 E C -1.393 175.203 176.600 -0.007 0.000 0.949 304 E CA -0.589 55.829 56.400 0.030 0.000 0.775 304 E CB 1.051 30.794 29.700 0.072 0.000 1.097 304 E HN 0.469 nan 8.360 nan 0.000 0.404 305 V N 5.048 124.977 119.914 0.025 0.000 2.406 305 V HA 0.188 4.308 4.120 0.000 0.000 0.272 305 V C -0.072 175.971 176.094 -0.085 0.000 1.043 305 V CA -0.292 61.995 62.300 -0.020 0.000 0.915 305 V CB 1.174 33.026 31.823 0.047 0.000 0.988 305 V HN 0.673 nan 8.190 nan 0.000 0.466 306 Q N 4.756 124.425 119.800 -0.219 0.000 2.321 306 Q HA 0.755 5.095 4.340 0.000 0.000 0.270 306 Q C -1.567 174.245 176.000 -0.314 0.000 1.032 306 Q CA -0.664 54.834 55.803 -0.509 0.000 0.784 306 Q CB 2.129 30.499 28.738 -0.613 0.000 1.264 306 Q HN 0.750 nan 8.270 nan 0.000 0.448 307 L N 2.714 123.748 121.223 -0.314 0.000 2.410 307 L HA 0.710 5.050 4.340 0.000 0.000 0.270 307 L C -1.566 175.228 176.870 -0.127 0.000 0.983 307 L CA -0.007 54.735 54.840 -0.164 0.000 0.822 307 L CB 2.658 44.612 42.059 -0.174 0.000 1.285 307 L HN 0.658 nan 8.230 nan 0.000 0.409 308 T N 4.056 118.591 114.554 -0.032 0.000 2.809 308 T HA 0.844 5.195 4.350 0.000 0.000 0.284 308 T C -0.551 174.204 174.700 0.091 0.000 0.992 308 T CA -0.348 61.759 62.100 0.011 0.000 0.957 308 T CB 1.494 70.368 68.868 0.010 0.000 0.942 308 T HN 0.798 nan 8.240 nan 0.000 0.439 309 A N 2.836 125.702 122.820 0.078 0.000 2.371 309 A HA 0.725 5.045 4.320 0.000 0.000 0.311 309 A C -0.490 177.145 177.584 0.085 0.000 1.068 309 A CA -0.872 51.246 52.037 0.134 0.000 0.744 309 A CB 1.546 20.599 19.000 0.088 0.000 1.239 309 A HN 0.658 nan 8.150 nan 0.000 0.435 310 Q N 1.375 121.227 119.800 0.087 0.000 2.423 310 Q HA 0.387 4.727 4.340 0.000 0.000 0.235 310 Q C 0.701 176.731 176.000 0.050 0.000 1.100 310 Q CA 0.409 56.244 55.803 0.053 0.000 0.908 310 Q CB 0.649 29.410 28.738 0.038 0.000 1.312 310 Q HN 0.921 nan 8.270 nan 0.000 0.497 311 T N 0.463 115.041 114.554 0.040 0.000 4.593 311 T HA 0.125 4.476 4.350 0.000 0.000 0.269 311 T C 1.100 175.814 174.700 0.024 0.000 0.942 311 T CA 0.726 62.844 62.100 0.031 0.000 1.517 311 T CB 0.199 69.082 68.868 0.025 0.000 2.123 311 T HN 0.528 nan 8.240 nan 0.000 0.377 312 S N -0.784 114.928 115.700 0.019 0.000 2.444 312 S HA 0.268 4.738 4.470 0.000 0.000 0.223 312 S C 1.277 175.887 174.600 0.016 0.000 1.054 312 S CA 0.073 58.283 58.200 0.015 0.000 0.947 312 S CB -0.520 62.687 63.200 0.013 0.000 0.850 312 S HN 0.521 nan 8.310 nan 0.000 0.527 313 L N 2.578 123.812 121.223 0.018 0.000 3.035 313 L HA 0.551 4.892 4.340 0.000 0.000 0.232 313 L C 0.822 177.705 176.870 0.022 0.000 1.341 313 L CA -0.135 54.716 54.840 0.018 0.000 1.177 313 L CB -0.477 41.593 42.059 0.018 0.000 1.555 313 L HN 0.540 nan 8.230 nan 0.000 0.473 314 G N 1.220 110.034 108.800 0.023 0.000 2.655 314 G HA2 -0.141 3.819 3.960 0.000 0.000 0.680 314 G HA3 -0.141 3.819 3.960 0.000 0.000 0.680 314 G C -3.095 171.824 174.900 0.031 0.000 1.302 314 G CA -1.027 44.089 45.100 0.026 0.000 0.872 314 G HN 0.110 nan 8.290 nan 0.000 0.540 315 P HA 0.422 nan 4.420 nan 0.000 0.274 315 P C 0.592 177.919 177.300 0.045 0.000 1.470 315 P CA 0.180 63.305 63.100 0.041 0.000 1.001 315 P CB 0.643 32.366 31.700 0.039 0.000 1.332 316 V N 1.482 121.423 119.914 0.045 0.000 3.036 316 V HA 0.627 4.747 4.120 0.000 0.000 0.308 316 V C 0.189 176.317 176.094 0.056 0.000 1.070 316 V CA -0.333 62.000 62.300 0.054 0.000 1.056 316 V CB 1.159 33.011 31.823 0.049 0.000 1.084 316 V HN 0.367 nan 8.190 nan 0.000 0.471 317 S N 0.751 116.504 115.700 0.088 0.000 2.638 317 S HA 0.684 5.154 4.470 0.000 0.000 0.302 317 S C -1.031 173.656 174.600 0.146 0.000 1.096 317 S CA -0.465 57.786 58.200 0.085 0.000 0.953 317 S CB 1.668 64.949 63.200 0.135 0.000 1.107 317 S HN 1.140 nan 8.310 nan 0.000 0.503 318 D N -0.399 120.056 120.400 0.091 0.000 2.753 318 D HA 0.631 5.271 4.640 0.000 0.000 0.224 318 D C -1.837 174.538 176.300 0.125 0.000 1.213 318 D CA -0.300 53.823 54.000 0.205 0.000 0.833 318 D CB 0.918 41.783 40.800 0.109 0.000 1.607 318 D HN 0.243 nan 8.370 nan 0.000 0.463 319 F N 1.831 121.827 119.950 0.078 0.000 2.599 319 F HA 0.431 4.958 4.527 0.000 0.000 0.311 319 F C -0.400 175.491 175.800 0.152 0.000 1.076 319 F CA -0.683 57.367 58.000 0.083 0.000 0.937 319 F CB 1.488 40.514 39.000 0.044 0.000 1.282 319 F HN 0.468 nan 8.300 nan 0.000 0.460 320 Y N -0.231 120.186 120.300 0.194 0.000 2.912 320 Y HA 0.201 4.752 4.550 0.000 0.000 0.250 320 Y C -0.016 175.941 175.900 0.095 0.000 1.073 320 Y CA 0.666 58.836 58.100 0.118 0.000 1.275 320 Y CB 0.253 38.757 38.460 0.073 0.000 1.470 320 Y HN 0.589 nan 8.280 nan 0.000 0.447 321 T N 2.150 116.703 114.554 -0.000 0.000 0.690 321 T HA -0.213 4.137 4.350 0.000 0.000 0.758 321 T C -1.063 173.514 174.700 -0.205 0.000 0.990 321 T CA 0.979 63.032 62.100 -0.077 0.000 3.999 321 T CB -1.503 67.318 68.868 -0.078 0.000 2.259 321 T HN 0.487 nan 8.240 nan 0.000 0.391 322 L N 5.871 127.094 121.223 0.001 0.000 2.349 322 L HA 0.631 4.971 4.340 0.000 0.000 0.278 322 L C -2.488 174.405 176.870 0.038 0.000 0.996 322 L CA -2.119 52.759 54.840 0.063 0.000 0.825 322 L CB 1.940 44.131 42.059 0.220 0.000 1.243 322 L HN 0.195 nan 8.230 nan 0.000 0.412 323 P HA 0.108 nan 4.420 nan 0.000 0.265 323 P C -1.244 176.079 177.300 0.038 0.000 1.222 323 P CA 0.053 63.181 63.100 0.047 0.000 0.767 323 P CB 0.772 32.514 31.700 0.070 0.000 0.801 324 V N 4.408 124.346 119.914 0.040 0.000 2.384 324 V HA 0.657 4.777 4.120 0.000 0.000 0.287 324 V C 0.773 176.893 176.094 0.043 0.000 1.020 324 V CA -0.480 61.828 62.300 0.014 0.000 0.850 324 V CB 1.726 33.548 31.823 -0.001 0.000 0.987 324 V HN 0.632 nan 8.190 nan 0.000 0.436 325 G N 4.878 113.666 108.800 -0.022 0.000 2.502 325 G HA2 0.674 4.634 3.960 0.000 0.000 0.311 325 G HA3 0.674 4.634 3.960 0.000 0.000 0.311 325 G C -0.643 174.218 174.900 -0.065 0.000 1.270 325 G CA -0.554 44.557 45.100 0.018 0.000 0.948 325 G HN 0.663 nan 8.290 nan 0.000 0.487 326 I N 2.615 123.208 120.570 0.038 0.000 2.337 326 I HA 0.454 4.624 4.170 0.000 0.000 0.291 326 I C 0.321 176.405 176.117 -0.054 0.000 1.046 326 I CA -0.442 60.843 61.300 -0.026 0.000 1.324 326 I CB 0.748 38.740 38.000 -0.013 0.000 1.409 326 I HN 0.658 nan 8.210 nan 0.000 0.494 327 R N 3.186 123.611 120.500 -0.126 0.000 2.664 327 R HA 0.573 4.913 4.340 0.000 0.000 0.266 327 R C -1.244 174.960 176.300 -0.160 0.000 1.046 327 R CA -0.869 55.132 56.100 -0.166 0.000 0.885 327 R CB 0.766 30.981 30.300 -0.141 0.000 1.254 327 R HN 0.448 nan 8.270 nan 0.000 0.465 328 T N -0.901 113.564 114.554 -0.148 0.000 2.855 328 T HA 0.717 5.067 4.350 0.000 0.000 0.281 328 T C -0.620 174.010 174.700 -0.116 0.000 1.007 328 T CA -0.905 61.124 62.100 -0.118 0.000 1.009 328 T CB 1.765 70.579 68.868 -0.089 0.000 0.983 328 T HN 0.358 nan 8.240 nan 0.000 0.455 329 V N 2.214 122.057 119.914 -0.119 0.000 2.357 329 V HA 0.706 4.826 4.120 0.000 0.000 0.281 329 V C 0.403 176.374 176.094 -0.204 0.000 1.015 329 V CA -0.557 61.660 62.300 -0.139 0.000 0.827 329 V CB 0.448 32.213 31.823 -0.097 0.000 1.018 329 V HN 1.320 nan 8.190 nan 0.000 0.432 330 A N 5.041 127.712 122.820 -0.247 0.000 3.158 330 A HA 1.050 5.370 4.320 0.000 0.000 0.217 330 A C -0.281 177.049 177.584 -0.423 0.000 1.469 330 A CA -0.288 51.607 52.037 -0.237 0.000 0.885 330 A CB 1.762 20.687 19.000 -0.125 0.000 1.662 330 A HN 1.609 nan 8.150 nan 0.000 0.512 331 V N -3.738 116.019 119.914 -0.263 0.000 3.088 331 V HA 0.617 4.737 4.120 0.000 0.000 0.272 331 V C -0.463 175.598 176.094 -0.055 0.000 1.611 331 V CA -0.165 61.997 62.300 -0.229 0.000 0.990 331 V CB 0.669 32.355 31.823 -0.229 0.000 1.234 331 V HN 1.741 nan 8.190 nan 0.000 0.453 332 T N -0.880 113.688 114.554 0.023 0.000 2.644 332 T HA 0.578 4.928 4.350 0.000 0.000 0.253 332 T C 0.609 175.377 174.700 0.115 0.000 0.910 332 T CA 0.027 62.166 62.100 0.066 0.000 1.066 332 T CB 1.702 70.621 68.868 0.084 0.000 1.484 332 T HN 1.008 nan 8.240 nan 0.000 0.560 333 K N 0.423 120.910 120.400 0.145 0.000 2.400 333 K HA 0.152 4.472 4.320 0.000 0.000 0.194 333 K C 1.696 178.513 176.600 0.361 0.000 1.033 333 K CA 1.060 57.472 56.287 0.209 0.000 1.021 333 K CB -0.153 32.441 32.500 0.156 0.000 0.808 333 K HN 0.616 nan 8.250 nan 0.000 0.505 334 S N -0.325 115.536 115.700 0.269 0.000 2.818 334 S HA -0.005 4.465 4.470 0.000 0.000 0.251 334 S C 0.632 175.352 174.600 0.199 0.000 1.083 334 S CA -0.546 57.800 58.200 0.242 0.000 0.871 334 S CB -0.036 63.276 63.200 0.187 0.000 0.831 334 S HN 0.335 nan 8.310 nan 0.000 0.470 335 Q N 0.492 120.404 119.800 0.187 0.000 2.365 335 Q HA 0.541 4.881 4.340 0.000 0.000 0.269 335 Q C -1.719 174.430 176.000 0.249 0.000 1.061 335 Q CA -0.817 55.115 55.803 0.215 0.000 0.816 335 Q CB 1.417 30.266 28.738 0.185 0.000 1.325 335 Q HN 0.300 nan 8.270 nan 0.000 0.446 336 F N 2.523 122.594 119.950 0.201 0.000 2.399 336 F HA 0.500 5.027 4.527 0.000 0.000 0.342 336 F C -0.825 175.116 175.800 0.236 0.000 1.106 336 F CA -0.400 57.749 58.000 0.248 0.000 1.196 336 F CB 0.757 40.022 39.000 0.442 0.000 1.163 336 F HN 0.523 nan 8.300 nan 0.000 0.547 337 L N 7.226 128.521 121.223 0.121 0.000 2.439 337 L HA 0.484 4.825 4.340 0.000 0.000 0.270 337 L C -0.987 175.937 176.870 0.091 0.000 0.972 337 L CA -0.492 54.443 54.840 0.158 0.000 0.836 337 L CB 1.889 43.983 42.059 0.059 0.000 1.255 337 L HN 0.458 nan 8.230 nan 0.000 0.404 338 I N 3.161 123.824 120.570 0.155 0.000 2.441 338 I HA 0.346 4.516 4.170 0.000 0.000 0.295 338 I C -0.095 176.032 176.117 0.017 0.000 0.994 338 I CA -0.733 60.582 61.300 0.024 0.000 1.144 338 I CB 1.767 39.704 38.000 -0.105 0.000 1.314 338 I HN 0.666 nan 8.210 nan 0.000 0.445 339 N N 4.306 122.956 118.700 -0.083 0.000 2.721 339 N HA -0.203 4.537 4.740 0.000 0.000 0.249 339 N C 0.984 176.500 175.510 0.010 0.000 1.072 339 N CA 1.293 54.258 53.050 -0.142 0.000 0.710 339 N CB -1.241 36.997 38.487 -0.416 0.000 0.993 339 N HN 1.140 nan 8.380 nan 0.000 0.547 340 G N -1.177 107.635 108.800 0.019 0.000 2.205 340 G HA2 -0.411 3.549 3.960 0.000 0.000 0.269 340 G HA3 -0.411 3.549 3.960 0.000 0.000 0.269 340 G C 0.112 175.073 174.900 0.102 0.000 0.977 340 G CA 1.412 46.544 45.100 0.053 0.000 0.652 340 G HN 0.893 nan 8.290 nan 0.000 0.539 341 K N -0.253 120.237 120.400 0.151 0.000 2.281 341 K HA 0.698 5.019 4.320 0.000 0.000 0.242 341 K C -3.140 173.591 176.600 0.219 0.000 0.971 341 K CA -2.518 53.878 56.287 0.183 0.000 0.834 341 K CB 2.381 35.012 32.500 0.219 0.000 1.181 341 K HN -0.046 nan 8.250 nan 0.000 0.435 342 P HA -0.044 nan 4.420 nan 0.000 0.265 342 P C -1.376 176.119 177.300 0.325 0.000 1.187 342 P CA 0.194 63.444 63.100 0.250 0.000 0.766 342 P CB 0.116 31.925 31.700 0.181 0.000 0.820 343 F N 3.965 124.026 119.950 0.185 0.000 2.617 343 F HA 0.439 4.966 4.527 0.000 0.000 0.325 343 F C -1.820 174.027 175.800 0.078 0.000 1.179 343 F CA -1.058 56.989 58.000 0.079 0.000 0.965 343 F CB 0.969 39.969 39.000 0.001 0.000 1.232 343 F HN 0.196 nan 8.300 nan 0.000 0.461 344 Y N 6.660 126.520 120.300 -0.733 0.000 2.328 344 Y HA 0.563 5.113 4.550 0.000 0.000 0.337 344 Y C -1.311 174.036 175.900 -0.922 0.000 1.008 344 Y CA -0.982 56.835 58.100 -0.472 0.000 1.129 344 Y CB 0.650 38.996 38.460 -0.190 0.000 1.185 344 Y HN 0.460 nan 8.280 nan 0.000 0.476 345 F N 5.543 124.854 119.950 -1.066 0.000 2.472 345 F HA 0.231 4.758 4.527 0.000 0.000 0.364 345 F C -0.132 175.330 175.800 -0.564 0.000 1.090 345 F CA -0.399 57.144 58.000 -0.763 0.000 1.188 345 F CB 0.067 38.802 39.000 -0.441 0.000 1.105 345 F HN 0.543 nan 8.300 nan 0.000 0.536 346 H N 0.441 119.337 119.070 -0.290 0.000 2.488 346 H HA 0.676 5.232 4.556 0.000 0.000 0.237 346 H C -0.049 174.840 175.328 -0.731 0.000 1.395 346 H CA -0.918 54.857 56.048 -0.454 0.000 1.491 346 H CB 0.303 29.757 29.762 -0.513 0.000 1.567 346 H HN 0.606 nan 8.280 nan 0.000 0.508 347 G N 0.161 108.836 108.800 -0.208 0.000 3.356 347 G HA2 0.644 4.604 3.960 0.000 0.000 0.178 347 G HA3 0.644 4.604 3.960 0.000 0.000 0.178 347 G C -1.155 173.840 174.900 0.158 0.000 1.130 347 G CA -0.232 44.835 45.100 -0.056 0.000 0.800 347 G HN 0.514 nan 8.290 nan 0.000 0.669 348 V N -0.861 119.156 119.914 0.172 0.000 3.258 348 V HA 0.552 4.672 4.120 0.000 0.000 0.298 348 V C -1.715 174.469 176.094 0.149 0.000 1.489 348 V CA -1.035 61.366 62.300 0.167 0.000 1.062 348 V CB 2.335 34.274 31.823 0.193 0.000 1.116 348 V HN 0.628 nan 8.190 nan 0.000 0.464 349 N N 1.873 120.626 118.700 0.087 0.000 2.314 349 N HA 0.506 5.246 4.740 0.000 0.000 0.294 349 N C -1.050 174.384 175.510 -0.126 0.000 1.029 349 N CA -0.619 52.479 53.050 0.080 0.000 0.845 349 N CB 2.215 40.845 38.487 0.237 0.000 1.321 349 N HN 0.563 nan 8.380 nan 0.000 0.481 350 K N 1.081 121.390 120.400 -0.152 0.000 2.096 350 K HA 0.522 4.842 4.320 0.000 0.000 0.263 350 K C -0.549 175.948 176.600 -0.172 0.000 1.013 350 K CA -0.450 55.667 56.287 -0.283 0.000 1.218 350 K CB 0.693 32.757 32.500 -0.726 0.000 1.961 350 K HN 0.570 nan 8.250 nan 0.000 0.851 351 H N -0.887 117.975 119.070 -0.346 0.000 2.883 351 H HA 0.096 4.653 4.556 0.000 0.000 0.266 351 H C -1.661 173.462 175.328 -0.340 0.000 1.446 351 H CA -0.498 55.340 56.048 -0.351 0.000 1.179 351 H CB 1.357 30.817 29.762 -0.504 0.000 1.806 351 H HN 0.395 nan 8.280 nan 0.000 0.467 352 E N 1.824 122.045 120.200 0.034 0.000 2.101 352 E HA 0.280 4.630 4.350 0.000 0.000 0.260 352 E C -1.353 175.263 176.600 0.026 0.000 0.897 352 E CA -0.427 55.956 56.400 -0.029 0.000 0.744 352 E CB 1.560 31.307 29.700 0.079 0.000 1.140 352 E HN 0.332 nan 8.360 nan 0.000 0.419 353 D N 1.929 122.309 120.400 -0.035 0.000 2.745 353 D HA 0.520 5.160 4.640 0.000 0.000 0.221 353 D C -1.867 174.408 176.300 -0.041 0.000 1.237 353 D CA -0.383 53.596 54.000 -0.036 0.000 0.781 353 D CB 2.112 42.966 40.800 0.090 0.000 1.575 353 D HN 0.464 nan 8.370 nan 0.000 0.482 354 A N 2.531 125.312 122.820 -0.066 0.000 2.571 354 A HA 0.325 4.646 4.320 0.000 0.000 0.296 354 A C -1.091 176.465 177.584 -0.046 0.000 1.005 354 A CA -0.787 51.221 52.037 -0.049 0.000 0.682 354 A CB 0.866 19.821 19.000 -0.075 0.000 1.292 354 A HN 0.485 nan 8.150 nan 0.000 0.420 355 D N 1.549 121.937 120.400 -0.020 0.000 2.622 355 D HA 0.124 4.764 4.640 0.000 0.000 0.227 355 D C 1.444 177.733 176.300 -0.018 0.000 1.159 355 D CA 1.448 55.445 54.000 -0.005 0.000 0.865 355 D CB 0.321 41.117 40.800 -0.006 0.000 1.207 355 D HN 0.648 nan 8.370 nan 0.000 0.492 356 I N 0.436 121.010 120.570 0.005 0.000 4.687 356 I HA -0.474 3.696 4.170 0.000 0.000 0.047 356 I C 2.123 178.226 176.117 -0.024 0.000 0.625 356 I CA 2.112 63.413 61.300 0.002 0.000 0.733 356 I CB -1.760 36.236 38.000 -0.007 0.000 0.682 356 I HN 0.664 nan 8.210 nan 0.000 0.158 357 R N 3.542 124.002 120.500 -0.067 0.000 2.328 357 R HA 0.097 4.438 4.340 0.000 0.000 0.207 357 R C 1.458 177.636 176.300 -0.203 0.000 1.056 357 R CA 1.551 57.584 56.100 -0.111 0.000 1.016 357 R CB -0.615 29.612 30.300 -0.122 0.000 0.872 357 R HN 0.911 nan 8.270 nan 0.000 0.471 358 G N 2.125 110.755 108.800 -0.283 0.000 2.634 358 G HA2 -0.396 3.565 3.960 0.000 0.000 0.318 358 G HA3 -0.396 3.565 3.960 0.000 0.000 0.318 358 G C 0.344 174.906 174.900 -0.564 0.000 1.207 358 G CA 0.737 45.393 45.100 -0.739 0.000 0.987 358 G HN 0.396 nan 8.290 nan 0.000 0.547 359 K N 1.790 121.867 120.400 -0.538 0.000 2.397 359 K HA 0.355 4.675 4.320 0.000 0.000 0.202 359 K C 1.330 177.813 176.600 -0.195 0.000 1.022 359 K CA 0.349 56.465 56.287 -0.284 0.000 1.141 359 K CB 0.659 33.027 32.500 -0.220 0.000 0.857 359 K HN 0.670 nan 8.250 nan 0.000 0.514 360 G N 1.199 109.881 108.800 -0.197 0.000 2.554 360 G HA2 -0.019 3.941 3.960 0.000 0.000 0.238 360 G HA3 -0.019 3.941 3.960 0.000 0.000 0.238 360 G C -0.543 174.293 174.900 -0.107 0.000 1.259 360 G CA -0.344 44.674 45.100 -0.136 0.000 0.843 360 G HN 0.137 nan 8.290 nan 0.000 0.582 361 F N 0.555 120.373 119.950 -0.220 0.000 2.459 361 F HA 0.449 4.976 4.527 0.000 0.000 0.346 361 F C 0.058 175.699 175.800 -0.265 0.000 1.128 361 F CA -0.461 57.373 58.000 -0.277 0.000 1.268 361 F CB 1.528 40.314 39.000 -0.357 0.000 1.161 361 F HN 0.407 nan 8.300 nan 0.000 0.583 362 D N 4.957 124.493 120.400 -1.440 0.000 2.891 362 D HA 0.142 4.783 4.640 0.000 0.000 0.224 362 D C -0.017 175.617 176.300 -1.109 0.000 1.321 362 D CA -0.462 52.974 54.000 -0.939 0.000 0.929 362 D CB 0.605 41.121 40.800 -0.473 0.000 1.551 362 D HN 0.485 nan 8.370 nan 0.000 0.574 363 W N 3.591 124.529 121.300 -0.604 0.000 2.407 363 W HA -0.008 4.652 4.660 0.000 0.000 0.305 363 W C -0.946 175.441 176.519 -0.220 0.000 1.196 363 W CA 0.825 57.963 57.345 -0.346 0.000 1.311 363 W CB -1.328 28.075 29.460 -0.096 0.000 1.135 363 W HN 0.501 nan 8.180 nan 0.000 0.514 364 P HA -0.153 nan 4.420 nan 0.000 0.216 364 P C 1.883 179.162 177.300 -0.034 0.000 1.153 364 P CA 1.165 64.272 63.100 0.013 0.000 0.848 364 P CB -0.191 31.507 31.700 -0.003 0.000 0.787 365 L N -0.666 120.493 121.223 -0.107 0.000 2.275 365 L HA -0.036 4.304 4.340 0.000 0.000 0.215 365 L C 2.428 179.248 176.870 -0.084 0.000 1.119 365 L CA 1.125 55.900 54.840 -0.110 0.000 0.790 365 L CB -1.862 40.105 42.059 -0.153 0.000 0.919 365 L HN -0.058 nan 8.230 nan 0.000 0.443 366 L N -1.735 119.424 121.223 -0.107 0.000 2.044 366 L HA -0.154 4.186 4.340 0.000 0.000 0.205 366 L C 2.302 179.265 176.870 0.155 0.000 1.075 366 L CA 0.819 55.662 54.840 0.004 0.000 0.747 366 L CB -0.026 41.999 42.059 -0.057 0.000 0.903 366 L HN 0.045 nan 8.230 nan 0.000 0.435 367 V N -0.067 119.918 119.914 0.118 0.000 2.295 367 V HA -0.279 3.841 4.120 0.000 0.000 0.246 367 V C 2.535 178.726 176.094 0.162 0.000 1.049 367 V CA 1.933 64.326 62.300 0.155 0.000 1.024 367 V CB -0.771 31.123 31.823 0.119 0.000 0.648 367 V HN 0.375 nan 8.190 nan 0.000 0.447 368 K N 1.105 121.551 120.400 0.076 0.000 2.001 368 K HA -0.234 4.086 4.320 0.000 0.000 0.214 368 K C 1.766 178.388 176.600 0.037 0.000 1.050 368 K CA 2.201 58.501 56.287 0.022 0.000 0.934 368 K CB -0.959 31.516 32.500 -0.042 0.000 0.718 368 K HN 0.445 nan 8.250 nan 0.000 0.443 369 D N -0.751 119.677 120.400 0.047 0.000 2.158 369 D HA -0.161 4.479 4.640 0.000 0.000 0.197 369 D C 1.581 177.828 176.300 -0.089 0.000 0.995 369 D CA 1.147 55.161 54.000 0.023 0.000 0.846 369 D CB -0.203 40.557 40.800 -0.065 0.000 0.941 369 D HN 0.226 nan 8.370 nan 0.000 0.456 370 F N 0.343 120.283 119.950 -0.017 0.000 2.558 370 F HA 0.059 4.586 4.527 0.000 0.000 0.298 370 F C 2.122 178.039 175.800 0.193 0.000 1.119 370 F CA 0.412 58.448 58.000 0.060 0.000 1.451 370 F CB -0.009 38.992 39.000 0.001 0.000 1.091 370 F HN -0.058 nan 8.300 nan 0.000 0.563 371 N N 0.001 118.860 118.700 0.266 0.000 2.290 371 N HA -0.008 4.732 4.740 0.000 0.000 0.179 371 N C 2.027 177.682 175.510 0.242 0.000 1.016 371 N CA 0.759 53.943 53.050 0.224 0.000 0.871 371 N CB -0.245 38.325 38.487 0.140 0.000 0.987 371 N HN 0.284 nan 8.380 nan 0.000 0.431 372 L N 0.926 122.248 121.223 0.166 0.000 2.093 372 L HA -0.067 4.273 4.340 0.000 0.000 0.208 372 L C 2.226 179.371 176.870 0.458 0.000 1.085 372 L CA 0.669 55.652 54.840 0.238 0.000 0.755 372 L CB -0.347 41.611 42.059 -0.167 0.000 0.904 372 L HN 0.088 nan 8.230 nan 0.000 0.435 373 L N -0.211 121.180 121.223 0.280 0.000 2.012 373 L HA -0.230 4.110 4.340 0.000 0.000 0.210 373 L C 2.925 179.999 176.870 0.340 0.000 1.073 373 L CA 1.350 56.326 54.840 0.226 0.000 0.748 373 L CB -0.715 41.271 42.059 -0.123 0.000 0.891 373 L HN 0.367 nan 8.230 nan 0.000 0.431 374 R N -0.062 120.647 120.500 0.349 0.000 2.115 374 R HA -0.234 4.106 4.340 0.000 0.000 0.226 374 R C 2.092 178.774 176.300 0.637 0.000 1.100 374 R CA 1.554 57.936 56.100 0.469 0.000 0.980 374 R CB -1.079 29.302 30.300 0.135 0.000 0.875 374 R HN 0.454 nan 8.270 nan 0.000 0.445 375 W N 1.733 123.265 121.300 0.386 0.000 2.338 375 W HA -0.113 4.548 4.660 0.000 0.000 0.304 375 W C 1.920 178.771 176.519 0.553 0.000 1.212 375 W CA 1.485 59.074 57.345 0.407 0.000 1.264 375 W CB -0.425 29.184 29.460 0.248 0.000 1.142 375 W HN 0.052 nan 8.180 nan 0.000 0.512 376 L N -0.067 121.367 121.223 0.351 0.000 2.044 376 L HA 0.057 4.397 4.340 0.000 0.000 0.205 376 L C 2.053 178.968 176.870 0.074 0.000 1.075 376 L CA 1.705 56.615 54.840 0.115 0.000 0.747 376 L CB -0.891 41.379 42.059 0.351 0.000 0.903 376 L HN 0.332 nan 8.230 nan 0.000 0.435 377 G N -1.041 107.731 108.800 -0.047 0.000 2.148 377 G HA2 -0.132 3.828 3.960 0.000 0.000 0.157 377 G HA3 -0.132 3.828 3.960 0.000 0.000 0.157 377 G C 0.140 174.839 174.900 -0.336 0.000 1.012 377 G CA -0.200 44.460 45.100 -0.733 0.000 0.677 377 G HN 0.493 nan 8.290 nan 0.000 0.506 378 A N 0.716 123.527 122.820 -0.015 0.000 2.309 378 A HA 0.613 4.933 4.320 0.000 0.000 0.290 378 A C 1.049 178.636 177.584 0.004 0.000 1.206 378 A CA 0.362 52.363 52.037 -0.060 0.000 0.850 378 A CB 0.219 19.285 19.000 0.109 0.000 1.118 378 A HN 0.899 nan 8.150 nan 0.000 0.523 379 N N 1.379 119.998 118.700 -0.135 0.000 2.230 379 N HA 0.421 5.161 4.740 0.000 0.000 0.202 379 N C -0.216 175.317 175.510 0.039 0.000 1.119 379 N CA 0.561 53.604 53.050 -0.012 0.000 0.851 379 N CB 0.459 38.826 38.487 -0.200 0.000 0.990 379 N HN 0.769 nan 8.380 nan 0.000 0.497 380 A N -0.240 122.598 122.820 0.030 0.000 2.605 380 A HA 0.672 4.992 4.320 0.000 0.000 0.294 380 A C -1.797 175.913 177.584 0.209 0.000 1.062 380 A CA -0.981 51.116 52.037 0.100 0.000 0.682 380 A CB 0.862 19.914 19.000 0.086 0.000 1.278 380 A HN 0.325 nan 8.150 nan 0.000 0.410 381 F N -0.090 119.855 119.950 -0.007 0.000 2.686 381 F HA 0.849 5.376 4.527 0.000 0.000 0.311 381 F C -0.855 174.933 175.800 -0.021 0.000 1.128 381 F CA -0.855 57.127 58.000 -0.030 0.000 0.946 381 F CB 1.385 40.318 39.000 -0.111 0.000 1.336 381 F HN 0.701 nan 8.300 nan 0.000 0.457 382 R N 1.295 121.952 120.500 0.262 0.000 2.445 382 R HA 0.361 4.701 4.340 0.000 0.000 0.308 382 R C -0.964 175.363 176.300 0.045 0.000 0.961 382 R CA -0.513 55.610 56.100 0.037 0.000 0.862 382 R CB 1.894 32.239 30.300 0.075 0.000 1.144 382 R HN 0.954 nan 8.270 nan 0.000 0.447 383 T N 2.679 117.071 114.554 -0.270 0.000 4.280 383 T HA -0.010 4.340 4.350 0.000 0.000 0.245 383 T C 0.351 174.675 174.700 -0.626 0.000 1.100 383 T CA 0.528 62.234 62.100 -0.656 0.000 1.137 383 T CB -0.403 68.044 68.868 -0.702 0.000 1.296 383 T HN 0.417 nan 8.240 nan 0.000 0.998 384 S N 3.700 119.111 115.700 -0.481 0.000 3.452 384 S HA -0.105 4.365 4.470 0.000 0.000 0.410 384 S C 0.702 174.649 174.600 -1.088 0.000 1.076 384 S CA -0.066 57.739 58.200 -0.657 0.000 1.538 384 S CB -0.474 62.335 63.200 -0.652 0.000 1.006 384 S HN 0.811 nan 8.310 nan 0.000 0.576 385 H N 0.191 119.040 119.070 -0.369 0.000 2.921 385 H HA -0.218 4.338 4.556 0.000 0.000 0.281 385 H C -0.442 174.760 175.328 -0.210 0.000 1.165 385 H CA 1.803 57.738 56.048 -0.189 0.000 1.151 385 H CB -2.974 26.837 29.762 0.082 0.000 1.311 385 H HN 0.863 nan 8.280 nan 0.000 0.361 386 Y N -5.200 114.908 120.300 -0.319 0.000 2.575 386 Y HA 0.440 4.990 4.550 0.000 0.000 0.346 386 Y C -3.229 172.437 175.900 -0.391 0.000 1.260 386 Y CA -2.335 55.507 58.100 -0.430 0.000 1.317 386 Y CB 0.206 38.115 38.460 -0.917 0.000 1.352 386 Y HN -0.134 nan 8.280 nan 0.000 0.492 387 P HA 0.032 nan 4.420 nan 0.000 0.266 387 P C -0.879 176.557 177.300 0.228 0.000 1.195 387 P CA 0.740 63.856 63.100 0.026 0.000 0.768 387 P CB 0.812 32.577 31.700 0.109 0.000 0.838 388 Y N 1.095 121.482 120.300 0.144 0.000 2.392 388 Y HA 0.330 4.880 4.550 0.000 0.000 0.323 388 Y C 2.103 178.023 175.900 0.033 0.000 1.291 388 Y CA -1.043 57.138 58.100 0.136 0.000 1.345 388 Y CB -0.376 38.148 38.460 0.106 0.000 1.320 388 Y HN 0.484 nan 8.280 nan 0.000 0.518 389 A N 1.034 123.964 122.820 0.183 0.000 1.882 389 A HA -0.265 4.055 4.320 0.000 0.000 0.220 389 A C 1.486 178.927 177.584 -0.237 0.000 1.253 389 A CA 3.216 55.200 52.037 -0.088 0.000 0.664 389 A CB -0.448 18.425 19.000 -0.211 0.000 0.838 389 A HN 0.929 nan 8.150 nan 0.000 0.460 390 E N -2.714 117.323 120.200 -0.272 0.000 1.452 390 E HA -0.113 4.237 4.350 0.000 0.000 0.199 390 E C 0.927 177.329 176.600 -0.330 0.000 0.890 390 E CA 0.756 56.919 56.400 -0.394 0.000 1.031 390 E CB -1.208 28.080 29.700 -0.687 0.000 4.262 390 E HN 0.716 nan 8.360 nan 0.000 0.686 391 E N 2.523 122.582 120.200 -0.234 0.000 2.526 391 E HA -0.067 4.283 4.350 0.000 0.000 0.206 391 E C 1.457 177.958 176.600 -0.165 0.000 1.139 391 E CA 1.188 57.491 56.400 -0.161 0.000 0.913 391 E CB -0.362 29.325 29.700 -0.021 0.000 0.868 391 E HN 0.279 nan 8.360 nan 0.000 0.564 392 V N -0.680 119.061 119.914 -0.288 0.000 3.217 392 V HA -0.158 3.963 4.120 0.000 0.000 0.264 392 V C 2.378 178.143 176.094 -0.548 0.000 1.135 392 V CA 1.354 63.359 62.300 -0.491 0.000 1.142 392 V CB -1.039 30.323 31.823 -0.768 0.000 0.754 392 V HN 0.427 nan 8.190 nan 0.000 0.484 393 M N -0.729 118.675 119.600 -0.326 0.000 2.447 393 M HA 0.053 4.533 4.480 0.000 0.000 0.264 393 M C 2.118 178.376 176.300 -0.070 0.000 1.095 393 M CA 1.561 56.814 55.300 -0.078 0.000 1.125 393 M CB -0.513 32.099 32.600 0.019 0.000 1.389 393 M HN 0.355 nan 8.290 nan 0.000 0.459 394 Q N 1.548 121.218 119.800 -0.218 0.000 2.079 394 Q HA -0.058 4.282 4.340 0.000 0.000 0.200 394 Q C 1.878 177.730 176.000 -0.246 0.000 0.974 394 Q CA 2.023 57.543 55.803 -0.472 0.000 0.840 394 Q CB -0.229 27.900 28.738 -1.016 0.000 0.898 394 Q HN 0.458 nan 8.270 nan 0.000 0.430 395 M N -1.033 118.566 119.600 -0.002 0.000 2.213 395 M HA -0.157 4.323 4.480 0.000 0.000 0.263 395 M C 2.064 178.597 176.300 0.387 0.000 1.062 395 M CA 1.051 56.492 55.300 0.236 0.000 1.105 395 M CB -0.587 32.088 32.600 0.126 0.000 1.385 395 M HN 0.315 nan 8.290 nan 0.000 0.417 396 C N -0.682 118.806 119.300 0.313 0.000 2.476 396 C HA -0.038 4.422 4.460 0.000 0.000 0.278 396 C C 1.206 176.514 174.990 0.531 0.000 1.274 396 C CA -0.618 58.722 59.018 0.538 0.000 1.713 396 C CB -0.963 26.965 27.740 0.313 0.000 2.039 396 C HN 0.414 nan 8.230 nan 0.000 0.484 397 D N -0.082 120.521 120.400 0.338 0.000 2.383 397 D HA -0.005 4.635 4.640 0.000 0.000 0.233 397 D C 1.544 178.022 176.300 0.295 0.000 1.233 397 D CA 0.257 54.451 54.000 0.323 0.000 0.881 397 D CB 0.281 41.315 40.800 0.390 0.000 1.212 397 D HN 0.417 nan 8.370 nan 0.000 0.467 398 R N 0.747 121.326 120.500 0.131 0.000 2.265 398 R HA -0.363 3.977 4.340 0.000 0.000 0.268 398 R C 1.604 177.852 176.300 -0.087 0.000 1.178 398 R CA 1.915 57.990 56.100 -0.041 0.000 1.005 398 R CB -1.022 29.199 30.300 -0.131 0.000 0.891 398 R HN 0.548 nan 8.270 nan 0.000 0.472 399 Y N 1.107 121.383 120.300 -0.040 0.000 2.096 399 Y HA -0.170 4.380 4.550 0.000 0.000 0.278 399 Y C 2.127 177.990 175.900 -0.061 0.000 1.192 399 Y CA 1.888 59.968 58.100 -0.032 0.000 1.143 399 Y CB -0.892 37.650 38.460 0.137 0.000 0.963 399 Y HN 0.507 nan 8.280 nan 0.000 0.505 400 G N 0.438 109.297 108.800 0.099 0.000 2.338 400 G HA2 -0.255 3.705 3.960 0.000 0.000 0.296 400 G HA3 -0.255 3.705 3.960 0.000 0.000 0.296 400 G C -0.328 174.674 174.900 0.170 0.000 1.040 400 G CA 0.137 45.138 45.100 -0.165 0.000 1.004 400 G HN 0.227 nan 8.290 nan 0.000 0.509 401 I N 1.236 122.010 120.570 0.339 0.000 2.313 401 I HA 0.196 4.366 4.170 0.000 0.000 0.286 401 I C 1.360 177.615 176.117 0.230 0.000 1.091 401 I CA -1.016 60.463 61.300 0.298 0.000 1.216 401 I CB 0.584 38.788 38.000 0.341 0.000 1.434 401 I HN -0.014 nan 8.210 nan 0.000 0.487 402 V N 7.146 127.166 119.914 0.176 0.000 2.975 402 V HA -0.092 4.028 4.120 0.000 0.000 0.300 402 V C 0.411 176.431 176.094 -0.123 0.000 1.186 402 V CA 0.610 62.914 62.300 0.007 0.000 1.311 402 V CB 1.258 32.991 31.823 -0.149 0.000 0.917 402 V HN 0.420 nan 8.190 nan 0.000 0.512 403 V N 6.238 126.016 119.914 -0.226 0.000 2.760 403 V HA 0.449 4.570 4.120 0.000 0.000 0.309 403 V C -0.274 175.637 176.094 -0.304 0.000 1.077 403 V CA -0.519 61.559 62.300 -0.369 0.000 0.910 403 V CB 2.058 33.570 31.823 -0.518 0.000 1.008 403 V HN 0.636 nan 8.190 nan 0.000 0.424 404 I N 3.532 123.944 120.570 -0.263 0.000 2.307 404 I HA 0.277 4.447 4.170 0.000 0.000 0.287 404 I C -0.278 175.721 176.117 -0.197 0.000 1.054 404 I CA -0.198 60.991 61.300 -0.186 0.000 1.218 404 I CB 0.904 38.836 38.000 -0.113 0.000 1.398 404 I HN 0.545 nan 8.210 nan 0.000 0.475 405 D N 7.718 128.013 120.400 -0.176 0.000 2.336 405 D HA 0.164 4.804 4.640 0.000 0.000 0.249 405 D C -0.031 176.310 176.300 0.069 0.000 1.213 405 D CA 0.176 54.130 54.000 -0.078 0.000 0.870 405 D CB 0.877 41.683 40.800 0.009 0.000 1.076 405 D HN 0.462 nan 8.370 nan 0.000 0.483 406 E N 1.308 121.486 120.200 -0.037 0.000 2.227 406 E HA 0.427 4.777 4.350 0.000 0.000 0.268 406 E C -0.192 176.421 176.600 0.023 0.000 0.990 406 E CA -0.803 55.615 56.400 0.030 0.000 0.856 406 E CB 1.469 31.172 29.700 0.007 0.000 1.159 406 E HN 0.507 nan 8.360 nan 0.000 0.401 407 C N -0.590 118.750 119.300 0.067 0.000 2.529 407 C HA 0.466 4.927 4.460 0.000 0.000 0.329 407 C C -2.319 172.698 174.990 0.045 0.000 1.194 407 C CA -2.582 56.449 59.018 0.022 0.000 1.779 407 C CB 0.766 28.482 27.740 -0.041 0.000 2.322 407 C HN 0.498 nan 8.230 nan 0.000 0.500 408 P HA 0.146 nan 4.420 nan 0.000 0.248 408 P C 0.626 177.983 177.300 0.095 0.000 1.553 408 P CA 0.963 64.086 63.100 0.039 0.000 0.901 408 P CB -0.702 30.984 31.700 -0.024 0.000 1.816 409 G N 0.591 109.504 108.800 0.189 0.000 3.515 409 G HA2 0.284 4.244 3.960 0.000 0.000 0.288 409 G HA3 0.284 4.244 3.960 0.000 0.000 0.288 409 G C 0.977 175.983 174.900 0.177 0.000 1.012 409 G CA -0.386 44.872 45.100 0.264 0.000 1.689 409 G HN 0.235 nan 8.290 nan 0.000 0.572 410 V N 0.766 120.762 119.914 0.137 0.000 2.523 410 V HA 0.395 4.515 4.120 0.000 0.000 0.226 410 V C 1.893 178.113 176.094 0.210 0.000 1.107 410 V CA 1.198 63.590 62.300 0.152 0.000 1.121 410 V CB -0.859 31.056 31.823 0.153 0.000 0.753 410 V HN 0.318 nan 8.190 nan 0.000 0.497 411 G N 1.127 110.105 108.800 0.297 0.000 3.471 411 G HA2 0.359 4.319 3.960 0.000 0.000 0.254 411 G HA3 0.359 4.319 3.960 0.000 0.000 0.254 411 G C 0.073 175.166 174.900 0.322 0.000 1.199 411 G CA -0.235 45.095 45.100 0.382 0.000 1.683 411 G HN 0.322 nan 8.290 nan 0.000 0.625 412 L N 1.591 122.938 121.223 0.207 0.000 2.533 412 L HA 0.397 4.737 4.340 0.000 0.000 0.239 412 L C 1.488 178.536 176.870 0.297 0.000 1.376 412 L CA -0.270 54.626 54.840 0.093 0.000 1.240 412 L CB -0.140 41.860 42.059 -0.099 0.000 1.487 412 L HN 0.299 nan 8.230 nan 0.000 0.419 413 A N 0.208 123.170 122.820 0.235 0.000 1.938 413 A HA 0.253 4.573 4.320 0.000 0.000 0.207 413 A C 0.796 178.355 177.584 -0.041 0.000 1.292 413 A CA 0.076 52.187 52.037 0.123 0.000 0.700 413 A CB -0.050 18.989 19.000 0.065 0.000 0.947 413 A HN 0.257 nan 8.150 nan 0.000 0.476 414 L N 1.043 122.014 121.223 -0.419 0.000 2.461 414 L HA 0.168 4.508 4.340 0.000 0.000 0.272 414 L C -1.153 175.534 176.870 -0.305 0.000 1.197 414 L CA -1.329 53.143 54.840 -0.614 0.000 0.836 414 L CB -0.059 41.232 42.059 -1.281 0.000 1.105 414 L HN 0.177 nan 8.230 nan 0.000 0.477 415 P HA -0.153 nan 4.420 nan 0.000 0.223 415 P C 0.789 178.108 177.300 0.032 0.000 1.151 415 P CA 1.010 64.088 63.100 -0.037 0.000 0.787 415 P CB 0.375 32.012 31.700 -0.105 0.000 0.788 416 Q N -0.721 118.987 119.800 -0.153 0.000 2.119 416 Q HA -0.071 4.269 4.340 0.000 0.000 0.201 416 Q C 1.717 177.808 176.000 0.152 0.000 0.972 416 Q CA 1.200 56.981 55.803 -0.036 0.000 0.847 416 Q CB -0.986 27.701 28.738 -0.085 0.000 0.903 416 Q HN 0.208 nan 8.270 nan 0.000 0.433 417 F N -0.778 119.164 119.950 -0.013 0.000 2.664 417 F HA -0.026 4.501 4.527 0.000 0.000 0.297 417 F C 0.428 176.065 175.800 -0.271 0.000 1.164 417 F CA 0.048 57.946 58.000 -0.171 0.000 1.472 417 F CB -0.625 38.191 39.000 -0.306 0.000 1.108 417 F HN 0.010 nan 8.300 nan 0.000 0.596 418 F N 0.326 120.390 119.950 0.189 0.000 2.925 418 F HA 0.199 4.726 4.527 0.000 0.000 0.302 418 F C 0.645 176.591 175.800 0.244 0.000 1.189 418 F CA -1.231 56.914 58.000 0.243 0.000 1.346 418 F CB -0.877 38.128 39.000 0.008 0.000 0.954 418 F HN -0.101 nan 8.300 nan 0.000 0.506 419 N N -1.560 117.307 118.700 0.278 0.000 2.463 419 N HA 0.050 4.790 4.740 0.000 0.000 0.270 419 N C 0.892 176.445 175.510 0.071 0.000 1.205 419 N CA -0.530 52.608 53.050 0.146 0.000 0.974 419 N CB 0.371 38.919 38.487 0.101 0.000 1.197 419 N HN 0.125 nan 8.380 nan 0.000 0.504 420 N N -0.366 118.326 118.700 -0.012 0.000 2.205 420 N HA -0.170 4.570 4.740 0.000 0.000 0.186 420 N C 0.933 176.328 175.510 -0.192 0.000 1.015 420 N CA 0.856 53.814 53.050 -0.153 0.000 0.862 420 N CB 0.071 38.484 38.487 -0.124 0.000 0.986 420 N HN 0.399 nan 8.380 nan 0.000 0.429 421 V N 0.258 120.168 119.914 -0.006 0.000 2.358 421 V HA -0.153 3.967 4.120 0.000 0.000 0.246 421 V C 2.280 178.403 176.094 0.047 0.000 1.047 421 V CA 1.406 63.757 62.300 0.085 0.000 1.035 421 V CB -0.538 31.329 31.823 0.073 0.000 0.658 421 V HN 0.282 nan 8.190 nan 0.000 0.452 422 S N 0.085 115.792 115.700 0.011 0.000 2.370 422 S HA -0.198 4.272 4.470 0.000 0.000 0.226 422 S C 1.937 176.504 174.600 -0.055 0.000 1.033 422 S CA 1.794 60.009 58.200 0.025 0.000 1.011 422 S CB -0.444 62.819 63.200 0.104 0.000 0.852 422 S HN 0.526 nan 8.310 nan 0.000 0.457 423 L N 0.868 121.912 121.223 -0.298 0.000 2.093 423 L HA -0.145 4.195 4.340 0.000 0.000 0.208 423 L C 2.420 179.111 176.870 -0.299 0.000 1.085 423 L CA 1.465 55.932 54.840 -0.622 0.000 0.755 423 L CB -0.312 41.339 42.059 -0.680 0.000 0.904 423 L HN 0.374 nan 8.230 nan 0.000 0.435 424 H N -1.810 117.206 119.070 -0.090 0.000 2.357 424 H HA -0.207 4.350 4.556 0.000 0.000 0.301 424 H C 2.041 177.365 175.328 -0.007 0.000 1.082 424 H CA 1.788 57.801 56.048 -0.057 0.000 1.342 424 H CB -0.436 29.303 29.762 -0.037 0.000 1.389 424 H HN 0.541 nan 8.280 nan 0.000 0.511 425 H N 0.068 119.172 119.070 0.056 0.000 2.290 425 H HA -0.153 4.403 4.556 0.000 0.000 0.298 425 H C 2.382 177.716 175.328 0.009 0.000 1.087 425 H CA 1.871 57.928 56.048 0.016 0.000 1.291 425 H CB -0.129 29.633 29.762 0.001 0.000 1.369 425 H HN 0.267 nan 8.280 nan 0.000 0.492 426 H N -0.103 119.020 119.070 0.089 0.000 2.518 426 H HA -0.099 4.457 4.556 0.000 0.000 0.292 426 H C 1.792 177.112 175.328 -0.013 0.000 1.068 426 H CA 1.599 57.671 56.048 0.040 0.000 1.275 426 H CB 0.026 29.819 29.762 0.051 0.000 1.375 426 H HN 0.489 nan 8.280 nan 0.000 0.563 427 M N -0.807 118.862 119.600 0.115 0.000 2.435 427 M HA -0.080 4.400 4.480 0.000 0.000 0.265 427 M C 2.347 178.707 176.300 0.100 0.000 1.104 427 M CA 0.559 55.975 55.300 0.194 0.000 1.140 427 M CB 0.178 32.839 32.600 0.102 0.000 1.372 427 M HN 0.107 nan 8.290 nan 0.000 0.456 428 Q N 0.829 120.602 119.800 -0.045 0.000 1.969 428 Q HA -0.115 4.225 4.340 0.000 0.000 0.198 428 Q C 2.204 178.098 176.000 -0.177 0.000 0.978 428 Q CA 2.151 57.880 55.803 -0.123 0.000 0.830 428 Q CB -0.596 28.003 28.738 -0.232 0.000 0.896 428 Q HN 0.476 nan 8.270 nan 0.000 0.431 429 V N -0.530 119.209 119.914 -0.291 0.000 2.370 429 V HA -0.253 3.867 4.120 0.000 0.000 0.252 429 V C 2.182 178.159 176.094 -0.195 0.000 1.068 429 V CA 1.944 64.092 62.300 -0.254 0.000 1.061 429 V CB -0.793 30.848 31.823 -0.304 0.000 0.656 429 V HN 0.239 nan 8.190 nan 0.000 0.455 430 M N -0.092 119.394 119.600 -0.189 0.000 2.476 430 M HA 0.019 4.499 4.480 0.000 0.000 0.262 430 M C 2.056 178.189 176.300 -0.278 0.000 1.079 430 M CA 1.279 56.454 55.300 -0.209 0.000 1.104 430 M CB -1.026 31.483 32.600 -0.151 0.000 1.409 430 M HN 0.616 nan 8.290 nan 0.000 0.467 431 E N -0.192 119.882 120.200 -0.210 0.000 2.086 431 E HA -0.108 4.242 4.350 0.000 0.000 0.190 431 E C 1.822 178.336 176.600 -0.143 0.000 0.975 431 E CA 0.624 56.906 56.400 -0.198 0.000 0.813 431 E CB 0.183 29.814 29.700 -0.116 0.000 0.768 431 E HN 0.563 nan 8.360 nan 0.000 0.457 432 E N 0.665 120.804 120.200 -0.101 0.000 2.031 432 E HA -0.153 4.198 4.350 0.000 0.000 0.193 432 E C 2.294 178.871 176.600 -0.039 0.000 0.994 432 E CA 1.163 57.538 56.400 -0.042 0.000 0.800 432 E CB -0.112 29.588 29.700 0.000 0.000 0.752 432 E HN 0.048 nan 8.360 nan 0.000 0.447 433 V N 1.577 121.455 119.914 -0.061 0.000 2.380 433 V HA -0.227 3.893 4.120 0.000 0.000 0.251 433 V C 2.368 178.438 176.094 -0.040 0.000 1.063 433 V CA 1.469 63.755 62.300 -0.023 0.000 1.055 433 V CB -0.359 31.442 31.823 -0.036 0.000 0.657 433 V HN 0.123 nan 8.190 nan 0.000 0.455 434 V N -0.901 118.875 119.914 -0.229 0.000 2.719 434 V HA -0.105 4.015 4.120 0.000 0.000 0.252 434 V C 2.494 178.545 176.094 -0.071 0.000 1.065 434 V CA 1.351 63.460 62.300 -0.318 0.000 1.086 434 V CB -0.711 30.742 31.823 -0.617 0.000 0.700 434 V HN 0.410 nan 8.190 nan 0.000 0.467 435 R N 0.482 120.942 120.500 -0.067 0.000 2.075 435 R HA -0.147 4.193 4.340 0.000 0.000 0.230 435 R C 2.547 178.854 176.300 0.011 0.000 1.140 435 R CA 1.994 58.076 56.100 -0.029 0.000 0.928 435 R CB -0.386 29.899 30.300 -0.026 0.000 0.834 435 R HN 0.369 nan 8.270 nan 0.000 0.429 436 R N 0.497 121.016 120.500 0.031 0.000 2.103 436 R HA -0.142 4.198 4.340 0.000 0.000 0.242 436 R C 0.562 176.914 176.300 0.087 0.000 1.142 436 R CA 2.267 58.400 56.100 0.056 0.000 0.960 436 R CB -0.065 30.275 30.300 0.068 0.000 0.858 436 R HN 0.354 nan 8.270 nan 0.000 0.439 437 D N -0.336 120.169 120.400 0.176 0.000 2.402 437 D HA -0.022 4.618 4.640 0.000 0.000 0.216 437 D C 0.702 177.126 176.300 0.208 0.000 1.128 437 D CA 0.076 54.236 54.000 0.267 0.000 0.833 437 D CB 0.430 41.441 40.800 0.350 0.000 0.971 437 D HN 0.472 nan 8.370 nan 0.000 0.503 438 K N 0.675 121.188 120.400 0.189 0.000 2.555 438 K HA -0.001 4.319 4.320 0.000 0.000 0.193 438 K C 0.976 177.575 176.600 -0.001 0.000 1.032 438 K CA 0.693 57.095 56.287 0.191 0.000 1.004 438 K CB -0.107 32.492 32.500 0.164 0.000 0.804 438 K HN -0.025 nan 8.250 nan 0.000 0.496 439 N N -0.065 118.549 118.700 -0.143 0.000 2.388 439 N HA 0.006 4.747 4.740 0.000 0.000 0.176 439 N C -0.394 174.943 175.510 -0.288 0.000 1.062 439 N CA -0.283 52.633 53.050 -0.222 0.000 0.895 439 N CB 0.279 38.614 38.487 -0.253 0.000 1.018 439 N HN 0.196 nan 8.380 nan 0.000 0.456 440 H N 1.370 120.370 119.070 -0.116 0.000 2.899 440 H HA 0.051 4.608 4.556 0.000 0.000 0.303 440 H C -1.536 173.582 175.328 -0.349 0.000 1.042 440 H CA -1.213 54.717 56.048 -0.198 0.000 1.479 440 H CB 0.924 30.578 29.762 -0.180 0.000 1.493 440 H HN 0.248 nan 8.280 nan 0.000 0.534 441 P HA -0.022 nan 4.420 nan 0.000 0.237 441 P C 1.069 177.725 177.300 -1.073 0.000 1.178 441 P CA 0.549 63.187 63.100 -0.770 0.000 0.766 441 P CB 0.293 31.341 31.700 -1.085 0.000 0.876 442 A N 0.433 122.811 122.820 -0.736 0.000 1.898 442 A HA -0.010 4.310 4.320 0.000 0.000 0.214 442 A C 1.283 178.637 177.584 -0.384 0.000 1.183 442 A CA 0.468 52.196 52.037 -0.515 0.000 0.622 442 A CB -1.158 17.762 19.000 -0.133 0.000 0.824 442 A HN 0.159 nan 8.150 nan 0.000 0.444 443 V N 2.069 121.764 119.914 -0.365 0.000 2.493 443 V HA 0.217 4.337 4.120 0.000 0.000 0.292 443 V C 1.116 176.938 176.094 -0.452 0.000 1.016 443 V CA 0.855 62.896 62.300 -0.433 0.000 1.097 443 V CB 1.153 32.656 31.823 -0.535 0.000 0.947 443 V HN 0.667 nan 8.190 nan 0.000 0.479 444 V N 4.028 123.728 119.914 -0.357 0.000 3.604 444 V HA 0.546 4.666 4.120 0.000 0.000 0.277 444 V C 0.276 176.286 176.094 -0.140 0.000 1.399 444 V CA 0.349 62.526 62.300 -0.205 0.000 1.034 444 V CB -0.062 31.731 31.823 -0.051 0.000 0.824 444 V HN 0.772 nan 8.190 nan 0.000 0.439 445 M N -0.232 119.189 119.600 -0.298 0.000 2.534 445 M HA 0.580 5.060 4.480 0.000 0.000 0.280 445 M C -2.350 173.772 176.300 -0.297 0.000 1.217 445 M CA -0.349 54.824 55.300 -0.212 0.000 0.893 445 M CB 2.594 35.203 32.600 0.015 0.000 1.730 445 M HN 0.241 nan 8.290 nan 0.000 0.483 446 W N 0.551 121.865 121.300 0.023 0.000 2.576 446 W HA 0.784 5.444 4.660 0.000 0.000 0.360 446 W C -0.400 176.141 176.519 0.036 0.000 1.109 446 W CA -0.660 56.693 57.345 0.013 0.000 1.237 446 W CB 1.746 31.215 29.460 0.016 0.000 1.369 446 W HN 0.513 nan 8.180 nan 0.000 0.609 447 S N 0.264 116.154 115.700 0.316 0.000 2.619 447 S HA 0.349 4.819 4.470 0.000 0.000 0.280 447 S C -0.073 174.680 174.600 0.255 0.000 1.150 447 S CA -0.665 57.674 58.200 0.231 0.000 0.978 447 S CB 1.163 64.452 63.200 0.148 0.000 1.041 447 S HN 0.628 nan 8.310 nan 0.000 0.485 448 V N 2.006 122.092 119.914 0.286 0.000 3.644 448 V HA 0.839 4.959 4.120 0.000 0.000 0.267 448 V C 0.433 176.743 176.094 0.360 0.000 1.277 448 V CA 0.794 63.287 62.300 0.322 0.000 1.096 448 V CB -0.331 31.632 31.823 0.232 0.000 0.828 448 V HN 1.017 nan 8.190 nan 0.000 0.446 449 A N 0.858 123.880 122.820 0.336 0.000 2.608 449 A HA 0.739 5.059 4.320 0.000 0.000 0.292 449 A C -1.477 176.262 177.584 0.259 0.000 1.066 449 A CA -0.250 51.978 52.037 0.317 0.000 0.676 449 A CB 1.365 20.553 19.000 0.313 0.000 1.277 449 A HN 0.407 nan 8.150 nan 0.000 0.413 450 N N 0.523 119.323 118.700 0.167 0.000 2.399 450 N HA 0.446 5.186 4.740 0.000 0.000 0.284 450 N C -0.811 174.733 175.510 0.058 0.000 1.025 450 N CA -0.096 52.980 53.050 0.044 0.000 0.885 450 N CB 1.013 39.401 38.487 -0.164 0.000 1.339 450 N HN 0.693 nan 8.380 nan 0.000 0.487 451 E N 0.970 121.210 120.200 0.068 0.000 2.197 451 E HA -0.183 4.167 4.350 0.000 0.000 0.184 451 E C -2.233 174.483 176.600 0.192 0.000 1.439 451 E CA 0.236 56.701 56.400 0.108 0.000 0.688 451 E CB -0.972 28.757 29.700 0.049 0.000 1.090 451 E HN 0.569 nan 8.360 nan 0.000 0.341 452 P HA 0.192 nan 4.420 nan 0.000 0.281 452 P C -0.460 177.006 177.300 0.277 0.000 1.281 452 P CA -0.429 62.858 63.100 0.313 0.000 0.811 452 P CB 0.965 32.867 31.700 0.336 0.000 1.154 453 A N 0.719 123.681 122.820 0.237 0.000 3.074 453 A HA 0.134 4.454 4.320 0.000 0.000 0.251 453 A C 1.468 178.951 177.584 -0.168 0.000 1.695 453 A CA 0.118 52.201 52.037 0.076 0.000 1.343 453 A CB -1.659 17.314 19.000 -0.045 0.000 1.078 453 A HN 0.499 nan 8.150 nan 0.000 0.644 454 S N -0.300 115.437 115.700 0.060 0.000 2.584 454 S HA -0.182 4.288 4.470 0.000 0.000 0.240 454 S C 1.374 175.999 174.600 0.041 0.000 0.975 454 S CA 1.197 59.416 58.200 0.031 0.000 0.949 454 S CB -0.834 62.547 63.200 0.301 0.000 0.761 454 S HN 0.944 nan 8.310 nan 0.000 0.536 455 H N -0.642 118.431 119.070 0.005 0.000 2.465 455 H HA 0.413 4.970 4.556 0.000 0.000 0.289 455 H C 0.732 176.025 175.328 -0.058 0.000 1.022 455 H CA -0.320 55.729 56.048 0.002 0.000 1.340 455 H CB -0.461 29.306 29.762 0.009 0.000 1.437 455 H HN 0.313 nan 8.280 nan 0.000 0.539 456 L N 2.543 123.288 121.223 -0.798 0.000 2.483 456 L HA -0.043 4.297 4.340 0.000 0.000 0.276 456 L C 1.138 177.805 176.870 -0.338 0.000 1.213 456 L CA 0.277 54.752 54.840 -0.608 0.000 0.843 456 L CB 0.701 42.324 42.059 -0.727 0.000 1.107 456 L HN 0.393 nan 8.230 nan 0.000 0.487 457 E N 1.427 121.494 120.200 -0.222 0.000 2.046 457 E HA -0.153 4.198 4.350 0.000 0.000 0.190 457 E C 1.870 178.396 176.600 -0.123 0.000 0.982 457 E CA 1.477 57.803 56.400 -0.124 0.000 0.800 457 E CB -0.423 29.230 29.700 -0.078 0.000 0.756 457 E HN 0.849 nan 8.360 nan 0.000 0.449 458 S N 2.066 117.662 115.700 -0.174 0.000 2.370 458 S HA -0.106 4.364 4.470 0.000 0.000 0.226 458 S C 2.372 176.893 174.600 -0.130 0.000 1.033 458 S CA 1.181 59.311 58.200 -0.117 0.000 1.011 458 S CB -0.523 62.612 63.200 -0.108 0.000 0.852 458 S HN 0.334 nan 8.310 nan 0.000 0.457 459 A N 2.074 124.598 122.820 -0.493 0.000 1.940 459 A HA 0.141 4.461 4.320 0.000 0.000 0.219 459 A C 2.391 179.820 177.584 -0.259 0.000 1.176 459 A CA 1.669 53.288 52.037 -0.696 0.000 0.631 459 A CB -1.733 16.501 19.000 -1.277 0.000 0.814 459 A HN 0.655 nan 8.150 nan 0.000 0.446 460 G N -1.890 106.818 108.800 -0.153 0.000 2.432 460 G HA2 -0.232 3.729 3.960 0.000 0.000 0.219 460 G HA3 -0.232 3.729 3.960 0.000 0.000 0.219 460 G C 1.498 176.368 174.900 -0.050 0.000 1.135 460 G CA 1.230 46.305 45.100 -0.041 0.000 0.767 460 G HN 0.619 nan 8.290 nan 0.000 0.550 461 Y N 0.016 120.263 120.300 -0.087 0.000 2.109 461 Y HA -0.135 4.415 4.550 0.000 0.000 0.285 461 Y C 2.513 178.381 175.900 -0.053 0.000 1.131 461 Y CA 1.639 59.684 58.100 -0.092 0.000 1.121 461 Y CB -0.605 37.825 38.460 -0.050 0.000 0.987 461 Y HN 0.189 nan 8.280 nan 0.000 0.495 462 Y N 0.316 120.633 120.300 0.028 0.000 2.102 462 Y HA -0.319 4.232 4.550 0.000 0.000 0.280 462 Y C 2.138 177.915 175.900 -0.205 0.000 1.178 462 Y CA 1.931 60.027 58.100 -0.006 0.000 1.146 462 Y CB -0.939 37.639 38.460 0.197 0.000 0.968 462 Y HN 0.249 nan 8.280 nan 0.000 0.504 463 L N 0.907 122.157 121.223 0.046 0.000 1.989 463 L HA -0.226 4.114 4.340 0.000 0.000 0.211 463 L C 2.589 179.288 176.870 -0.285 0.000 1.071 463 L CA 2.267 57.001 54.840 -0.177 0.000 0.749 463 L CB -1.389 40.426 42.059 -0.407 0.000 0.890 463 L HN 0.271 nan 8.230 nan 0.000 0.431 464 K N -1.436 118.677 120.400 -0.477 0.000 2.113 464 K HA -0.217 4.103 4.320 0.000 0.000 0.208 464 K C 2.008 178.340 176.600 -0.447 0.000 1.047 464 K CA 1.267 57.142 56.287 -0.686 0.000 0.928 464 K CB 0.076 31.904 32.500 -1.121 0.000 0.716 464 K HN 0.127 nan 8.250 nan 0.000 0.446 465 M N 0.396 119.731 119.600 -0.442 0.000 2.139 465 M HA -0.150 4.330 4.480 0.000 0.000 0.260 465 M C 2.305 178.495 176.300 -0.182 0.000 1.078 465 M CA 1.258 56.348 55.300 -0.351 0.000 1.106 465 M CB -1.104 31.259 32.600 -0.395 0.000 1.275 465 M HN -0.002 nan 8.290 nan 0.000 0.425 466 V N 0.942 120.770 119.914 -0.144 0.000 2.313 466 V HA -0.315 3.805 4.120 0.000 0.000 0.253 466 V C 2.503 178.599 176.094 0.003 0.000 1.070 466 V CA 1.905 64.185 62.300 -0.033 0.000 1.057 466 V CB -0.744 31.013 31.823 -0.110 0.000 0.653 466 V HN 0.404 nan 8.190 nan 0.000 0.450 467 I N 0.003 120.540 120.570 -0.054 0.000 2.163 467 I HA -0.214 3.957 4.170 0.000 0.000 0.240 467 I C 2.651 178.758 176.117 -0.018 0.000 1.081 467 I CA 1.556 62.842 61.300 -0.023 0.000 1.353 467 I CB -0.642 37.343 38.000 -0.024 0.000 1.054 467 I HN 0.326 nan 8.210 nan 0.000 0.407 468 A N -0.283 122.505 122.820 -0.052 0.000 2.019 468 A HA -0.294 4.027 4.320 0.000 0.000 0.219 468 A C 2.124 179.722 177.584 0.023 0.000 1.164 468 A CA 1.828 53.846 52.037 -0.031 0.000 0.644 468 A CB -0.868 18.081 19.000 -0.084 0.000 0.805 468 A HN 0.512 nan 8.150 nan 0.000 0.449 469 H N 0.033 119.043 119.070 -0.100 0.000 2.395 469 H HA -0.014 4.542 4.556 0.000 0.000 0.299 469 H C 1.895 177.158 175.328 -0.109 0.000 1.070 469 H CA 2.027 58.018 56.048 -0.095 0.000 1.356 469 H CB -0.349 29.357 29.762 -0.093 0.000 1.401 469 H HN 0.376 nan 8.280 nan 0.000 0.524 470 T N 0.345 114.804 114.554 -0.158 0.000 2.985 470 T HA -0.017 4.333 4.350 0.000 0.000 0.266 470 T C 1.836 176.417 174.700 -0.198 0.000 1.076 470 T CA 0.649 62.564 62.100 -0.308 0.000 1.135 470 T CB 0.143 68.827 68.868 -0.306 0.000 0.890 470 T HN 0.324 nan 8.240 nan 0.000 0.480 471 K N 1.777 122.132 120.400 -0.075 0.000 2.211 471 K HA 0.008 4.328 4.320 0.000 0.000 0.203 471 K C 1.355 177.936 176.600 -0.031 0.000 1.050 471 K CA 0.626 56.902 56.287 -0.018 0.000 0.945 471 K CB -0.007 32.503 32.500 0.017 0.000 0.732 471 K HN 0.427 nan 8.250 nan 0.000 0.451 472 S N -0.409 115.263 115.700 -0.047 0.000 2.693 472 S HA 0.364 4.834 4.470 0.000 0.000 0.276 472 S C 1.047 175.578 174.600 -0.114 0.000 1.192 472 S CA -0.824 57.354 58.200 -0.036 0.000 0.994 472 S CB 1.570 64.785 63.200 0.026 0.000 1.012 472 S HN 0.253 nan 8.310 nan 0.000 0.550 473 L N -2.048 119.117 121.223 -0.097 0.000 2.848 473 L HA -0.226 4.114 4.340 0.000 0.000 0.400 473 L C 0.016 176.821 176.870 -0.108 0.000 2.308 473 L CA 1.800 56.555 54.840 -0.141 0.000 2.916 473 L CB -1.692 40.198 42.059 -0.281 0.000 1.824 473 L HN 0.812 nan 8.230 nan 0.000 0.807 474 D N 1.587 121.918 120.400 -0.114 0.000 2.421 474 D HA 0.364 5.004 4.640 0.000 0.000 0.254 474 D C -2.008 174.319 176.300 0.045 0.000 1.238 474 D CA -1.387 52.604 54.000 -0.015 0.000 0.919 474 D CB 1.573 42.394 40.800 0.034 0.000 1.152 474 D HN 0.046 nan 8.370 nan 0.000 0.552 475 P HA 0.093 nan 4.420 nan 0.000 0.259 475 P C 0.419 177.749 177.300 0.050 0.000 1.530 475 P CA -0.026 63.099 63.100 0.042 0.000 1.022 475 P CB 0.420 32.129 31.700 0.015 0.000 1.514 476 S N -0.484 115.264 115.700 0.080 0.000 2.456 476 S HA 0.068 4.538 4.470 0.000 0.000 0.224 476 S C 1.109 175.726 174.600 0.028 0.000 1.035 476 S CA -0.187 58.038 58.200 0.041 0.000 0.940 476 S CB -0.223 62.995 63.200 0.029 0.000 0.799 476 S HN 0.199 nan 8.310 nan 0.000 0.508 477 R N 0.899 121.455 120.500 0.094 0.000 2.698 477 R HA 0.580 4.920 4.340 0.000 0.000 0.275 477 R C -3.786 172.602 176.300 0.146 0.000 1.001 477 R CA -1.967 54.157 56.100 0.040 0.000 0.896 477 R CB 0.025 30.263 30.300 -0.103 0.000 1.218 477 R HN -0.077 nan 8.270 nan 0.000 0.462 478 P HA 0.030 nan 4.420 nan 0.000 0.270 478 P C -0.647 176.807 177.300 0.256 0.000 1.221 478 P CA -0.297 62.891 63.100 0.147 0.000 0.788 478 P CB 0.502 32.262 31.700 0.101 0.000 0.904 479 V N 0.100 120.155 119.914 0.236 0.000 2.914 479 V HA 0.789 4.909 4.120 0.000 0.000 0.314 479 V C 0.149 176.375 176.094 0.220 0.000 1.084 479 V CA -0.223 62.240 62.300 0.271 0.000 0.963 479 V CB 2.129 34.077 31.823 0.209 0.000 1.025 479 V HN 0.700 nan 8.190 nan 0.000 0.432 480 T N 1.876 116.576 114.554 0.242 0.000 2.677 480 T HA 0.718 5.068 4.350 0.000 0.000 0.305 480 T C -2.310 172.590 174.700 0.334 0.000 1.569 480 T CA -0.358 61.895 62.100 0.255 0.000 0.984 480 T CB 1.520 70.461 68.868 0.120 0.000 1.629 480 T HN 1.104 nan 8.240 nan 0.000 0.494 481 F N 1.149 121.137 119.950 0.063 0.000 2.596 481 F HA 0.727 5.254 4.527 0.000 0.000 0.311 481 F C -0.795 175.030 175.800 0.042 0.000 1.116 481 F CA -1.480 56.562 58.000 0.070 0.000 0.957 481 F CB 0.338 39.385 39.000 0.078 0.000 1.250 481 F HN 0.444 nan 8.300 nan 0.000 0.444 482 V N 1.546 121.296 119.914 -0.272 0.000 2.649 482 V HA 0.864 4.984 4.120 0.000 0.000 0.292 482 V C -0.180 175.683 176.094 -0.385 0.000 1.055 482 V CA 0.242 62.347 62.300 -0.324 0.000 1.023 482 V CB 0.609 32.375 31.823 -0.094 0.000 0.992 482 V HN 1.308 nan 8.190 nan 0.000 0.480 483 S N 2.529 118.011 115.700 -0.363 0.000 2.569 483 S HA 0.565 5.035 4.470 0.000 0.000 0.280 483 S C -0.209 174.390 174.600 -0.003 0.000 1.111 483 S CA -0.380 57.721 58.200 -0.164 0.000 0.887 483 S CB 1.814 64.909 63.200 -0.175 0.000 1.095 483 S HN 1.109 nan 8.310 nan 0.000 0.476 484 N N 0.138 118.895 118.700 0.095 0.000 2.389 484 N HA 0.202 4.942 4.740 0.000 0.000 0.260 484 N C -0.771 174.867 175.510 0.213 0.000 1.191 484 N CA -0.448 52.691 53.050 0.148 0.000 0.885 484 N CB 0.449 38.996 38.487 0.100 0.000 1.162 484 N HN 0.358 nan 8.380 nan 0.000 0.512 485 S N 0.917 116.792 115.700 0.292 0.000 2.525 485 S HA 0.183 4.653 4.470 0.000 0.000 0.278 485 S C -0.030 174.838 174.600 0.447 0.000 1.234 485 S CA -0.640 57.762 58.200 0.337 0.000 1.058 485 S CB 0.605 64.032 63.200 0.378 0.000 0.983 485 S HN 0.487 nan 8.310 nan 0.000 0.495 486 N N 2.775 121.618 118.700 0.240 0.000 2.411 486 N HA -0.011 4.729 4.740 0.000 0.000 0.261 486 N C -0.349 175.148 175.510 -0.021 0.000 1.248 486 N CA -0.058 53.080 53.050 0.146 0.000 0.885 486 N CB 0.039 38.526 38.487 0.001 0.000 1.062 486 N HN 0.530 nan 8.380 nan 0.000 0.471 487 Y N 3.606 123.669 120.300 -0.395 0.000 2.652 487 Y HA 0.239 4.790 4.550 0.000 0.000 0.344 487 Y C 1.329 176.992 175.900 -0.395 0.000 1.254 487 Y CA -0.291 57.268 58.100 -0.902 0.000 1.480 487 Y CB 0.069 37.732 38.460 -1.328 0.000 1.345 487 Y HN 0.786 nan 8.280 nan 0.000 0.617 488 A N 1.568 123.992 122.820 -0.660 0.000 4.030 488 A HA -0.293 4.027 4.320 0.000 0.000 0.261 488 A C 1.483 178.885 177.584 -0.304 0.000 0.920 488 A CA 1.859 53.544 52.037 -0.586 0.000 1.304 488 A CB -2.514 15.877 19.000 -1.014 0.000 1.035 488 A HN 2.021 nan 8.150 nan 0.000 0.829 489 A N -1.282 121.406 122.820 -0.220 0.000 2.324 489 A HA 0.424 4.745 4.320 0.000 0.000 0.220 489 A C 0.589 178.230 177.584 0.095 0.000 1.209 489 A CA 1.095 53.098 52.037 -0.057 0.000 0.918 489 A CB 0.057 19.014 19.000 -0.072 0.000 0.959 489 A HN 0.595 nan 8.150 nan 0.000 0.507 490 D N 0.663 121.152 120.400 0.149 0.000 2.325 490 D HA 0.200 4.840 4.640 0.000 0.000 0.251 490 D C 0.734 177.190 176.300 0.259 0.000 1.196 490 D CA 0.044 54.224 54.000 0.299 0.000 0.866 490 D CB 0.904 42.012 40.800 0.513 0.000 1.101 490 D HN 0.134 nan 8.370 nan 0.000 0.476 491 K N 2.357 122.877 120.400 0.200 0.000 2.211 491 K HA 0.042 4.362 4.320 0.000 0.000 0.201 491 K C 1.743 178.462 176.600 0.198 0.000 1.052 491 K CA 0.521 56.902 56.287 0.157 0.000 0.973 491 K CB 0.189 32.737 32.500 0.080 0.000 0.766 491 K HN 0.467 nan 8.250 nan 0.000 0.466 492 G N 1.490 110.406 108.800 0.192 0.000 2.464 492 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 492 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 492 G C 1.646 176.694 174.900 0.247 0.000 1.138 492 G CA 0.721 45.920 45.100 0.166 0.000 0.793 492 G HN 0.286 nan 8.290 nan 0.000 0.539 493 A N 1.544 124.529 122.820 0.275 0.000 2.093 493 A HA -0.023 4.297 4.320 0.000 0.000 0.222 493 A C 0.433 177.715 177.584 -0.505 0.000 1.162 493 A CA 1.708 53.732 52.037 -0.022 0.000 0.655 493 A CB -0.993 17.985 19.000 -0.036 0.000 0.805 493 A HN 0.379 nan 8.150 nan 0.000 0.461 494 P HA -0.058 nan 4.420 nan 0.000 0.233 494 P C 0.181 177.137 177.300 -0.574 0.000 1.167 494 P CA 0.817 63.592 63.100 -0.542 0.000 0.770 494 P CB -0.082 31.267 31.700 -0.586 0.000 0.837 495 Y N -1.769 118.524 120.300 -0.011 0.000 2.457 495 Y HA 0.109 4.659 4.550 0.000 0.000 0.263 495 Y C 1.238 177.166 175.900 0.046 0.000 1.164 495 Y CA -0.709 57.396 58.100 0.007 0.000 1.274 495 Y CB -0.764 37.679 38.460 -0.028 0.000 1.097 495 Y HN -0.220 nan 8.280 nan 0.000 0.523 496 V N -2.150 117.861 119.914 0.161 0.000 2.686 496 V HA 0.253 4.373 4.120 0.000 0.000 0.295 496 V C 0.625 176.780 176.094 0.101 0.000 1.057 496 V CA -0.694 61.712 62.300 0.177 0.000 1.012 496 V CB 1.540 33.487 31.823 0.206 0.000 1.006 496 V HN 0.093 nan 8.190 nan 0.000 0.477 497 D N 1.797 122.264 120.400 0.111 0.000 2.323 497 D HA 0.140 4.780 4.640 0.000 0.000 0.209 497 D C 0.203 176.558 176.300 0.092 0.000 0.973 497 D CA 1.049 55.104 54.000 0.091 0.000 0.874 497 D CB 1.014 41.869 40.800 0.092 0.000 0.930 497 D HN 0.432 nan 8.370 nan 0.000 0.521 498 V N 1.518 121.484 119.914 0.086 0.000 2.817 498 V HA 0.205 4.325 4.120 0.000 0.000 0.303 498 V C -0.375 175.717 176.094 -0.004 0.000 1.151 498 V CA -0.803 61.542 62.300 0.074 0.000 0.929 498 V CB 3.060 34.944 31.823 0.101 0.000 1.030 498 V HN -0.096 nan 8.190 nan 0.000 0.427 499 I N 3.315 123.870 120.570 -0.026 0.000 2.471 499 I HA 0.234 4.404 4.170 0.000 0.000 0.286 499 I C -0.226 175.761 176.117 -0.218 0.000 1.079 499 I CA 0.168 61.377 61.300 -0.151 0.000 1.398 499 I CB 0.779 38.703 38.000 -0.128 0.000 1.403 499 I HN 0.512 nan 8.210 nan 0.000 0.530 500 C N 7.741 126.863 119.300 -0.298 0.000 2.301 500 C HA 0.558 5.018 4.460 0.000 0.000 0.323 500 C C -0.140 174.683 174.990 -0.278 0.000 1.265 500 C CA -0.599 58.272 59.018 -0.245 0.000 1.503 500 C CB 0.744 28.358 27.740 -0.210 0.000 2.195 500 C HN 0.457 nan 8.230 nan 0.000 0.477 501 L N 4.431 125.554 121.223 -0.167 0.000 2.346 501 L HA 0.614 4.954 4.340 0.000 0.000 0.274 501 L C -0.412 176.486 176.870 0.047 0.000 1.007 501 L CA 0.009 54.785 54.840 -0.107 0.000 0.818 501 L CB 1.738 43.740 42.059 -0.096 0.000 1.284 501 L HN 0.625 nan 8.230 nan 0.000 0.424 502 N N 1.188 119.938 118.700 0.084 0.000 2.342 502 N HA 0.734 5.474 4.740 0.000 0.000 0.293 502 N C -1.135 174.508 175.510 0.221 0.000 1.026 502 N CA -0.507 52.645 53.050 0.171 0.000 0.857 502 N CB 2.048 40.621 38.487 0.143 0.000 1.256 502 N HN 0.538 nan 8.380 nan 0.000 0.484 503 S N 0.501 116.356 115.700 0.258 0.000 2.562 503 S HA 0.418 4.888 4.470 0.000 0.000 0.274 503 S C -1.633 173.115 174.600 0.246 0.000 1.160 503 S CA -0.761 57.504 58.200 0.108 0.000 0.933 503 S CB 0.732 63.699 63.200 -0.388 0.000 1.100 503 S HN 0.413 nan 8.310 nan 0.000 0.468 504 Y N 1.426 121.796 120.300 0.117 0.000 2.495 504 Y HA 0.394 4.944 4.550 0.000 0.000 0.362 504 Y C -0.818 175.223 175.900 0.234 0.000 0.956 504 Y CA -1.494 56.755 58.100 0.248 0.000 1.127 504 Y CB -0.055 38.642 38.460 0.397 0.000 1.173 504 Y HN 0.676 nan 8.280 nan 0.000 0.639 505 Y N -0.052 120.482 120.300 0.390 0.000 2.620 505 Y HA 0.230 4.780 4.550 0.000 0.000 0.330 505 Y C 1.518 177.506 175.900 0.147 0.000 1.186 505 Y CA 0.166 58.317 58.100 0.085 0.000 1.467 505 Y CB 0.507 38.984 38.460 0.029 0.000 1.262 505 Y HN 0.552 nan 8.280 nan 0.000 0.550 506 S N -0.861 114.973 115.700 0.223 0.000 1.670 506 S HA -0.181 4.289 4.470 0.000 0.000 0.245 506 S C -0.317 174.457 174.600 0.291 0.000 0.926 506 S CA 0.647 59.027 58.200 0.301 0.000 1.287 506 S CB -1.125 62.305 63.200 0.384 0.000 1.553 506 S HN 0.760 nan 8.310 nan 0.000 0.527 507 W N 0.841 122.255 121.300 0.191 0.000 2.606 507 W HA 0.530 5.190 4.660 0.000 0.000 0.332 507 W C 0.511 177.166 176.519 0.227 0.000 1.052 507 W CA -0.012 57.405 57.345 0.121 0.000 1.223 507 W CB 0.813 30.279 29.460 0.011 0.000 1.383 507 W HN 0.354 nan 8.180 nan 0.000 0.524 508 Y N -0.338 120.054 120.300 0.154 0.000 3.707 508 Y HA -0.323 4.227 4.550 0.000 0.000 0.395 508 Y C 0.399 176.629 175.900 0.549 0.000 1.233 508 Y CA 2.247 60.601 58.100 0.423 0.000 2.151 508 Y CB -1.909 36.826 38.460 0.458 0.000 0.880 508 Y HN 0.592 nan 8.280 nan 0.000 0.464 509 H N -2.220 117.113 119.070 0.438 0.000 3.121 509 H HA 0.427 4.984 4.556 0.000 0.000 0.337 509 H C -0.384 174.968 175.328 0.041 0.000 1.198 509 H CA -0.375 55.700 56.048 0.044 0.000 1.274 509 H CB 1.402 31.213 29.762 0.081 0.000 1.954 509 H HN 0.060 nan 8.280 nan 0.000 0.531 510 D N 0.789 121.099 120.400 -0.149 0.000 2.775 510 D HA -0.186 4.454 4.640 0.000 0.000 0.235 510 D C -0.646 175.802 176.300 0.247 0.000 1.120 510 D CA 0.590 54.524 54.000 -0.111 0.000 0.708 510 D CB -1.572 39.182 40.800 -0.077 0.000 1.084 510 D HN 0.401 nan 8.370 nan 0.000 0.434 511 Y N 0.643 121.010 120.300 0.111 0.000 2.867 511 Y HA 0.173 4.723 4.550 0.000 0.000 0.367 511 Y C 2.038 178.016 175.900 0.130 0.000 1.310 511 Y CA 1.018 59.125 58.100 0.012 0.000 1.655 511 Y CB -0.699 37.722 38.460 -0.066 0.000 1.181 511 Y HN 0.381 nan 8.280 nan 0.000 0.533 512 G N 2.028 110.950 108.800 0.204 0.000 2.143 512 G HA2 -0.281 3.679 3.960 0.000 0.000 0.249 512 G HA3 -0.281 3.679 3.960 0.000 0.000 0.249 512 G C -0.032 174.931 174.900 0.105 0.000 0.981 512 G CA -0.091 45.092 45.100 0.138 0.000 0.665 512 G HN 0.825 nan 8.290 nan 0.000 0.528 513 H N 0.513 119.703 119.070 0.199 0.000 2.638 513 H HA 0.372 4.928 4.556 0.000 0.000 0.242 513 H C 1.634 177.028 175.328 0.109 0.000 1.610 513 H CA -0.232 55.894 56.048 0.130 0.000 1.275 513 H CB 0.169 29.977 29.762 0.076 0.000 1.583 513 H HN 0.277 nan 8.280 nan 0.000 0.556 514 L N 0.963 122.271 121.223 0.142 0.000 2.465 514 L HA -0.127 4.213 4.340 0.000 0.000 0.224 514 L C 2.508 179.398 176.870 0.033 0.000 1.145 514 L CA 0.675 55.544 54.840 0.048 0.000 0.834 514 L CB -0.168 41.851 42.059 -0.068 0.000 0.944 514 L HN 0.461 nan 8.230 nan 0.000 0.451 515 E N 0.282 120.517 120.200 0.059 0.000 2.347 515 E HA -0.155 4.195 4.350 0.000 0.000 0.196 515 E C 1.767 178.386 176.600 0.032 0.000 1.008 515 E CA 0.937 57.361 56.400 0.040 0.000 0.852 515 E CB 0.008 29.739 29.700 0.051 0.000 0.783 515 E HN 0.365 nan 8.360 nan 0.000 0.505 516 L N 0.801 122.055 121.223 0.051 0.000 2.253 516 L HA 0.182 4.522 4.340 0.000 0.000 0.205 516 L C 2.460 179.295 176.870 -0.058 0.000 1.078 516 L CA 0.428 55.267 54.840 -0.002 0.000 0.805 516 L CB -0.862 41.204 42.059 0.012 0.000 0.963 516 L HN 0.036 nan 8.230 nan 0.000 0.459 517 I N -0.229 120.322 120.570 -0.031 0.000 2.151 517 I HA -0.506 3.664 4.170 0.000 0.000 0.236 517 I C 2.630 178.654 176.117 -0.155 0.000 1.000 517 I CA 1.985 63.232 61.300 -0.088 0.000 1.285 517 I CB -0.404 37.511 38.000 -0.142 0.000 0.994 517 I HN 0.383 nan 8.210 nan 0.000 0.396 518 Q N 0.118 119.841 119.800 -0.128 0.000 2.096 518 Q HA -0.291 4.049 4.340 0.000 0.000 0.208 518 Q C 2.230 178.170 176.000 -0.100 0.000 0.993 518 Q CA 2.303 58.041 55.803 -0.108 0.000 0.862 518 Q CB -0.199 28.501 28.738 -0.062 0.000 0.915 518 Q HN 0.431 nan 8.270 nan 0.000 0.416 519 L N 0.771 121.937 121.223 -0.094 0.000 1.961 519 L HA -0.252 4.088 4.340 0.000 0.000 0.210 519 L C 2.214 178.994 176.870 -0.150 0.000 1.072 519 L CA 2.039 56.822 54.840 -0.096 0.000 0.749 519 L CB -0.656 41.354 42.059 -0.082 0.000 0.889 519 L HN 0.291 nan 8.230 nan 0.000 0.432 520 Q N -0.827 118.825 119.800 -0.246 0.000 2.248 520 Q HA -0.242 4.098 4.340 0.000 0.000 0.208 520 Q C 2.192 177.984 176.000 -0.347 0.000 0.984 520 Q CA 1.655 57.204 55.803 -0.423 0.000 0.875 520 Q CB -0.452 27.764 28.738 -0.870 0.000 0.910 520 Q HN 0.479 nan 8.270 nan 0.000 0.433 521 L N 0.723 121.824 121.223 -0.204 0.000 2.022 521 L HA -0.052 4.288 4.340 0.000 0.000 0.204 521 L C 2.397 179.070 176.870 -0.329 0.000 1.076 521 L CA 1.755 56.473 54.840 -0.204 0.000 0.749 521 L CB -0.818 41.077 42.059 -0.272 0.000 0.903 521 L HN 0.145 nan 8.230 nan 0.000 0.439 522 A N -1.015 121.728 122.820 -0.129 0.000 1.958 522 A HA -0.316 4.004 4.320 0.000 0.000 0.221 522 A C 2.270 179.899 177.584 0.076 0.000 1.178 522 A CA 2.823 54.887 52.037 0.045 0.000 0.642 522 A CB -1.469 17.567 19.000 0.060 0.000 0.816 522 A HN 0.632 nan 8.150 nan 0.000 0.453 523 T N -0.296 114.254 114.554 -0.008 0.000 2.701 523 T HA -0.253 4.097 4.350 0.000 0.000 0.263 523 T C 2.018 176.741 174.700 0.039 0.000 1.040 523 T CA 1.549 63.651 62.100 0.005 0.000 1.147 523 T CB -0.795 68.043 68.868 -0.049 0.000 0.865 523 T HN 0.805 nan 8.240 nan 0.000 0.426 524 Q N 0.634 120.454 119.800 0.033 0.000 2.173 524 Q HA -0.192 4.149 4.340 0.000 0.000 0.208 524 Q C 1.919 178.213 176.000 0.489 0.000 0.989 524 Q CA 1.718 57.649 55.803 0.214 0.000 0.872 524 Q CB -0.818 28.078 28.738 0.262 0.000 0.909 524 Q HN 0.455 nan 8.270 nan 0.000 0.420 525 F N 1.318 121.483 119.950 0.358 0.000 2.113 525 F HA -0.042 4.485 4.527 0.000 0.000 0.297 525 F C 2.553 178.604 175.800 0.419 0.000 1.103 525 F CA 1.034 59.286 58.000 0.419 0.000 1.248 525 F CB -0.841 38.352 39.000 0.321 0.000 0.999 525 F HN 0.142 nan 8.300 nan 0.000 0.475 526 E N 0.687 121.168 120.200 0.468 0.000 2.058 526 E HA -0.188 4.162 4.350 0.000 0.000 0.194 526 E C 2.007 178.666 176.600 0.098 0.000 0.997 526 E CA 1.035 57.602 56.400 0.278 0.000 0.801 526 E CB -0.407 29.397 29.700 0.172 0.000 0.746 526 E HN 0.362 nan 8.360 nan 0.000 0.450 527 N N -0.185 118.470 118.700 -0.075 0.000 2.104 527 N HA -0.186 4.554 4.740 0.000 0.000 0.190 527 N C 1.837 177.139 175.510 -0.347 0.000 1.024 527 N CA 1.070 53.833 53.050 -0.479 0.000 0.853 527 N CB -0.639 37.194 38.487 -1.090 0.000 1.008 527 N HN 0.273 nan 8.380 nan 0.000 0.424 528 W N 0.581 121.867 121.300 -0.022 0.000 2.354 528 W HA -0.163 4.497 4.660 0.000 0.000 0.315 528 W C 2.378 179.004 176.519 0.178 0.000 1.206 528 W CA 0.725 58.181 57.345 0.184 0.000 1.290 528 W CB -0.790 28.874 29.460 0.340 0.000 1.152 528 W HN 0.105 nan 8.180 nan 0.000 0.489 529 Y N 1.924 122.369 120.300 0.241 0.000 2.263 529 Y HA -0.217 4.334 4.550 0.000 0.000 0.292 529 Y C 2.655 178.502 175.900 -0.087 0.000 1.130 529 Y CA 2.122 60.207 58.100 -0.024 0.000 1.179 529 Y CB -0.615 37.500 38.460 -0.576 0.000 0.998 529 Y HN -0.219 nan 8.280 nan 0.000 0.532 530 K N 1.392 121.770 120.400 -0.038 0.000 2.103 530 K HA -0.253 4.067 4.320 0.000 0.000 0.207 530 K C 1.873 178.366 176.600 -0.179 0.000 1.048 530 K CA 2.023 58.241 56.287 -0.114 0.000 0.930 530 K CB -0.374 32.088 32.500 -0.063 0.000 0.716 530 K HN 0.425 nan 8.250 nan 0.000 0.444 531 K N -0.566 119.715 120.400 -0.198 0.000 2.025 531 K HA -0.056 4.264 4.320 0.000 0.000 0.211 531 K C 0.055 176.471 176.600 -0.306 0.000 1.029 531 K CA 0.430 56.532 56.287 -0.309 0.000 0.948 531 K CB -0.066 32.157 32.500 -0.462 0.000 0.768 531 K HN -0.018 nan 8.250 nan 0.000 0.446 532 Y N 2.910 123.214 120.300 0.006 0.000 2.539 532 Y HA 0.101 4.651 4.550 0.000 0.000 0.352 532 Y C -0.220 175.568 175.900 -0.187 0.000 1.004 532 Y CA -0.565 57.536 58.100 0.002 0.000 1.278 532 Y CB 0.684 39.262 38.460 0.197 0.000 1.136 532 Y HN 0.159 nan 8.280 nan 0.000 0.528 533 Q N 5.443 125.134 119.800 -0.182 0.000 2.962 533 Q HA 0.103 4.443 4.340 0.000 0.000 0.251 533 Q C -0.452 175.450 176.000 -0.163 0.000 1.380 533 Q CA 0.105 55.580 55.803 -0.548 0.000 0.926 533 Q CB -0.552 27.979 28.738 -0.346 0.000 1.704 533 Q HN 0.742 nan 8.270 nan 0.000 0.563 534 K N -0.725 119.722 120.400 0.079 0.000 2.575 534 K HA 0.560 4.880 4.320 0.000 0.000 0.279 534 K C -3.149 173.730 176.600 0.464 0.000 0.969 534 K CA -2.399 54.080 56.287 0.320 0.000 0.868 534 K CB 0.936 33.547 32.500 0.185 0.000 1.457 534 K HN -0.166 nan 8.250 nan 0.000 0.426 535 P HA 0.048 nan 4.420 nan 0.000 0.261 535 P C -0.792 176.597 177.300 0.148 0.000 1.183 535 P CA 0.417 63.661 63.100 0.239 0.000 0.761 535 P CB 0.289 32.121 31.700 0.220 0.000 0.785 536 I N 4.083 124.707 120.570 0.089 0.000 2.525 536 I HA 0.465 4.635 4.170 0.000 0.000 0.301 536 I C 0.387 176.418 176.117 -0.142 0.000 0.992 536 I CA -0.723 60.562 61.300 -0.025 0.000 1.162 536 I CB 1.389 39.376 38.000 -0.022 0.000 1.332 536 I HN 0.108 nan 8.210 nan 0.000 0.458 537 I N 3.532 124.003 120.570 -0.165 0.000 2.533 537 I HA 0.157 4.327 4.170 0.000 0.000 0.290 537 I C -0.558 175.517 176.117 -0.070 0.000 1.056 537 I CA -0.730 60.448 61.300 -0.205 0.000 1.057 537 I CB 2.162 39.965 38.000 -0.330 0.000 1.240 537 I HN 0.516 nan 8.210 nan 0.000 0.423 538 Q N 3.941 123.758 119.800 0.028 0.000 2.678 538 Q HA 0.115 4.455 4.340 0.000 0.000 0.222 538 Q C 0.793 176.908 176.000 0.192 0.000 1.281 538 Q CA -0.153 55.771 55.803 0.201 0.000 0.994 538 Q CB 0.450 29.387 28.738 0.332 0.000 1.452 538 Q HN 0.695 nan 8.270 nan 0.000 0.570 539 S N 1.742 117.507 115.700 0.109 0.000 2.660 539 S HA 0.056 4.527 4.470 0.000 0.000 0.228 539 S C 0.144 174.860 174.600 0.194 0.000 0.966 539 S CA 0.255 58.522 58.200 0.113 0.000 0.940 539 S CB 0.009 63.232 63.200 0.038 0.000 0.773 539 S HN 0.626 nan 8.310 nan 0.000 0.535 540 E N -0.663 119.673 120.200 0.227 0.000 2.748 540 E HA 0.444 4.794 4.350 0.000 0.000 0.320 540 E C -1.814 174.842 176.600 0.092 0.000 0.996 540 E CA -0.828 55.690 56.400 0.197 0.000 0.835 540 E CB 0.957 30.771 29.700 0.191 0.000 1.265 540 E HN 0.454 nan 8.360 nan 0.000 0.420 541 Y N 1.376 121.468 120.300 -0.346 0.000 2.620 541 Y HA 0.793 5.343 4.550 0.000 0.000 0.331 541 Y C -0.466 174.965 175.900 -0.783 0.000 1.173 541 Y CA -0.182 57.374 58.100 -0.907 0.000 1.076 541 Y CB 1.126 38.885 38.460 -1.169 0.000 1.336 541 Y HN 0.787 nan 8.280 nan 0.000 0.459 542 G N 0.296 108.638 108.800 -0.763 0.000 2.352 542 G HA2 0.626 4.586 3.960 0.000 0.000 0.302 542 G HA3 0.626 4.586 3.960 0.000 0.000 0.302 542 G C -2.180 172.457 174.900 -0.438 0.000 1.370 542 G CA -0.297 44.528 45.100 -0.458 0.000 0.918 542 G HN 1.661 nan 8.290 nan 0.000 0.610 543 A N -0.358 122.222 122.820 -0.400 0.000 2.414 543 A HA 0.826 5.146 4.320 0.000 0.000 0.306 543 A C -0.233 176.782 177.584 -0.948 0.000 1.054 543 A CA -0.351 51.228 52.037 -0.763 0.000 0.724 543 A CB 1.810 20.760 19.000 -0.084 0.000 1.267 543 A HN 1.141 nan 8.150 nan 0.000 0.418 544 E N 1.330 120.507 120.200 -1.706 0.000 2.238 544 E HA 0.306 4.657 4.350 0.000 0.000 0.264 544 E C -0.503 175.784 176.600 -0.522 0.000 1.136 544 E CA 0.619 56.459 56.400 -0.933 0.000 0.929 544 E CB 0.123 29.273 29.700 -0.917 0.000 1.010 544 E HN 0.470 nan 8.360 nan 0.000 0.440 545 T N 5.677 120.071 114.554 -0.266 0.000 2.807 545 T HA 0.423 4.773 4.350 0.000 0.000 0.279 545 T C -0.277 174.353 174.700 -0.117 0.000 0.993 545 T CA -0.651 61.382 62.100 -0.113 0.000 0.970 545 T CB 0.540 69.357 68.868 -0.085 0.000 0.950 545 T HN 0.555 nan 8.240 nan 0.000 0.441 546 I N 1.499 121.971 120.570 -0.164 0.000 2.412 546 I HA 0.850 5.020 4.170 0.000 0.000 0.296 546 I C 0.153 176.131 176.117 -0.231 0.000 0.987 546 I CA -1.002 60.128 61.300 -0.283 0.000 1.180 546 I CB 1.103 38.783 38.000 -0.533 0.000 1.340 546 I HN 0.672 nan 8.210 nan 0.000 0.455 547 A N 4.635 127.378 122.820 -0.127 0.000 2.462 547 A HA 0.522 4.842 4.320 0.000 0.000 0.243 547 A C 1.270 178.888 177.584 0.056 0.000 1.076 547 A CA 0.500 52.514 52.037 -0.039 0.000 0.773 547 A CB -0.230 18.768 19.000 -0.002 0.000 1.010 547 A HN 1.956 nan 8.150 nan 0.000 0.493 548 G N 0.342 109.184 108.800 0.069 0.000 2.194 548 G HA2 -0.188 3.772 3.960 0.000 0.000 0.236 548 G HA3 -0.188 3.772 3.960 0.000 0.000 0.236 548 G C -0.120 174.926 174.900 0.243 0.000 0.987 548 G CA 0.178 45.416 45.100 0.230 0.000 0.635 548 G HN 0.653 nan 8.290 nan 0.000 0.520 549 F N 3.172 122.966 119.950 -0.260 0.000 2.405 549 F HA 0.646 5.173 4.527 0.000 0.000 0.355 549 F C 0.785 176.344 175.800 -0.400 0.000 1.121 549 F CA -1.008 56.891 58.000 -0.169 0.000 1.112 549 F CB 0.839 39.805 39.000 -0.057 0.000 1.126 549 F HN 0.144 nan 8.300 nan 0.000 0.481 550 H N 2.979 122.144 119.070 0.158 0.000 2.930 550 H HA 0.473 5.029 4.556 0.000 0.000 0.371 550 H C -1.010 174.360 175.328 0.070 0.000 1.169 550 H CA -0.925 55.192 56.048 0.116 0.000 1.157 550 H CB 2.668 32.474 29.762 0.074 0.000 1.789 550 H HN 0.354 nan 8.280 nan 0.000 0.547 551 Q N 1.589 121.506 119.800 0.195 0.000 2.295 551 Q HA 0.067 4.407 4.340 0.000 0.000 0.268 551 Q C 0.145 176.216 176.000 0.118 0.000 1.010 551 Q CA -0.432 55.445 55.803 0.122 0.000 0.856 551 Q CB 3.105 31.912 28.738 0.114 0.000 1.349 551 Q HN 0.807 nan 8.270 nan 0.000 0.412 552 D N 2.984 123.433 120.400 0.082 0.000 2.106 552 D HA -0.049 4.591 4.640 0.000 0.000 0.194 552 D C -1.489 174.859 176.300 0.080 0.000 0.988 552 D CA 1.242 55.285 54.000 0.071 0.000 0.845 552 D CB -0.601 40.226 40.800 0.045 0.000 0.990 552 D HN 0.327 nan 8.370 nan 0.000 0.448 553 P HA 0.074 nan 4.420 nan 0.000 0.264 553 P C -2.145 175.229 177.300 0.123 0.000 1.236 553 P CA -0.629 62.517 63.100 0.078 0.000 0.811 553 P CB 1.269 33.002 31.700 0.055 0.000 0.840 554 P HA -0.307 nan 4.420 nan 0.000 0.235 554 P C 0.659 178.146 177.300 0.312 0.000 1.116 554 P CA 1.466 64.735 63.100 0.283 0.000 0.991 554 P CB -0.187 31.712 31.700 0.331 0.000 0.764 555 L N -5.971 115.386 121.223 0.223 0.000 5.860 555 L HA -0.317 4.023 4.340 0.000 0.000 0.263 555 L C 1.589 178.336 176.870 -0.205 0.000 1.188 555 L CA 0.998 55.857 54.840 0.032 0.000 1.395 555 L CB -1.550 40.541 42.059 0.053 0.000 2.166 555 L HN 0.045 nan 8.230 nan 0.000 0.889 556 M N -0.647 118.884 119.600 -0.116 0.000 1.933 556 M HA -0.107 4.373 4.480 0.000 0.000 0.090 556 M C 0.365 176.771 176.300 0.177 0.000 0.906 556 M CA 1.515 56.785 55.300 -0.049 0.000 0.451 556 M CB -0.285 32.463 32.600 0.247 0.000 0.501 556 M HN 0.318 nan 8.290 nan 0.000 0.278 557 F N 1.115 121.141 119.950 0.127 0.000 2.626 557 F HA 0.141 4.669 4.527 0.000 0.000 0.368 557 F C 0.255 176.122 175.800 0.112 0.000 1.227 557 F CA 0.173 58.248 58.000 0.126 0.000 1.302 557 F CB -1.740 37.258 39.000 -0.003 0.000 1.733 557 F HN 0.119 nan 8.300 nan 0.000 0.672 558 T N 0.001 114.737 114.554 0.303 0.000 2.893 558 T HA 0.193 4.543 4.350 0.000 0.000 0.291 558 T C 1.158 175.956 174.700 0.164 0.000 1.028 558 T CA -0.662 61.590 62.100 0.253 0.000 0.995 558 T CB 1.878 70.906 68.868 0.267 0.000 1.051 558 T HN 0.407 nan 8.240 nan 0.000 0.470 559 E N 1.088 121.314 120.200 0.043 0.000 2.118 559 E HA -0.179 4.171 4.350 0.000 0.000 0.195 559 E C 1.683 178.342 176.600 0.098 0.000 0.992 559 E CA 0.842 57.259 56.400 0.028 0.000 0.804 559 E CB 0.197 29.869 29.700 -0.046 0.000 0.741 559 E HN 0.487 nan 8.360 nan 0.000 0.458 560 E N 0.514 120.800 120.200 0.143 0.000 2.106 560 E HA -0.162 4.189 4.350 0.000 0.000 0.192 560 E C 1.805 178.489 176.600 0.140 0.000 0.984 560 E CA 0.723 57.207 56.400 0.141 0.000 0.806 560 E CB -0.214 29.579 29.700 0.155 0.000 0.750 560 E HN 0.319 nan 8.360 nan 0.000 0.458 561 Y N 1.781 122.133 120.300 0.087 0.000 2.097 561 Y HA -0.267 4.283 4.550 0.000 0.000 0.282 561 Y C 2.572 178.520 175.900 0.079 0.000 1.152 561 Y CA 2.559 60.718 58.100 0.099 0.000 1.136 561 Y CB -0.326 38.221 38.460 0.145 0.000 0.975 561 Y HN 0.099 nan 8.280 nan 0.000 0.498 562 Q N 0.249 120.147 119.800 0.163 0.000 2.096 562 Q HA -0.267 4.073 4.340 0.000 0.000 0.204 562 Q C 2.044 178.020 176.000 -0.042 0.000 0.982 562 Q CA 2.163 57.986 55.803 0.034 0.000 0.850 562 Q CB -0.121 28.628 28.738 0.017 0.000 0.901 562 Q HN 0.487 nan 8.270 nan 0.000 0.422 563 K N -0.450 119.943 120.400 -0.011 0.000 2.211 563 K HA -0.053 4.267 4.320 0.000 0.000 0.203 563 K C 2.162 178.728 176.600 -0.056 0.000 1.050 563 K CA 1.321 57.599 56.287 -0.015 0.000 0.945 563 K CB 0.145 32.661 32.500 0.026 0.000 0.732 563 K HN 0.098 nan 8.250 nan 0.000 0.451 564 S N 1.398 117.036 115.700 -0.103 0.000 2.362 564 S HA -0.076 4.394 4.470 0.000 0.000 0.221 564 S C 1.872 176.356 174.600 -0.193 0.000 1.032 564 S CA 0.726 58.834 58.200 -0.154 0.000 0.973 564 S CB -0.203 62.872 63.200 -0.208 0.000 0.849 564 S HN 0.258 nan 8.310 nan 0.000 0.465 565 L N 1.839 122.898 121.223 -0.272 0.000 2.027 565 L HA -0.042 4.299 4.340 0.000 0.000 0.206 565 L C 2.112 178.961 176.870 -0.035 0.000 1.074 565 L CA 1.242 56.008 54.840 -0.122 0.000 0.745 565 L CB -0.377 41.635 42.059 -0.079 0.000 0.898 565 L HN 0.270 nan 8.230 nan 0.000 0.433 566 L N -0.164 120.989 121.223 -0.116 0.000 1.971 566 L HA -0.314 4.026 4.340 0.000 0.000 0.215 566 L C 2.589 179.132 176.870 -0.544 0.000 1.072 566 L CA 2.167 56.845 54.840 -0.270 0.000 0.758 566 L CB -0.889 41.073 42.059 -0.160 0.000 0.889 566 L HN 0.420 nan 8.230 nan 0.000 0.433 567 E N -0.554 119.494 120.200 -0.253 0.000 2.114 567 E HA -0.280 4.070 4.350 0.000 0.000 0.199 567 E C 2.304 178.856 176.600 -0.082 0.000 1.008 567 E CA 1.441 57.779 56.400 -0.104 0.000 0.810 567 E CB 0.135 29.816 29.700 -0.031 0.000 0.739 567 E HN 0.374 nan 8.360 nan 0.000 0.456 568 Q N -0.857 118.889 119.800 -0.090 0.000 2.123 568 Q HA -0.132 4.208 4.340 0.000 0.000 0.199 568 Q C 1.878 177.831 176.000 -0.078 0.000 0.966 568 Q CA 1.146 56.909 55.803 -0.067 0.000 0.845 568 Q CB -0.336 28.358 28.738 -0.075 0.000 0.907 568 Q HN 0.483 nan 8.270 nan 0.000 0.439 569 Y N 0.351 120.508 120.300 -0.239 0.000 2.181 569 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 569 Y C 2.409 178.213 175.900 -0.160 0.000 1.146 569 Y CA 1.488 59.418 58.100 -0.284 0.000 1.164 569 Y CB -0.063 38.038 38.460 -0.599 0.000 0.982 569 Y HN 0.307 nan 8.280 nan 0.000 0.515 570 H N -0.992 118.100 119.070 0.036 0.000 2.421 570 H HA -0.169 4.387 4.556 0.000 0.000 0.298 570 H C 2.367 177.708 175.328 0.023 0.000 1.087 570 H CA 1.054 57.119 56.048 0.028 0.000 1.330 570 H CB -0.522 29.257 29.762 0.028 0.000 1.388 570 H HN 0.260 nan 8.280 nan 0.000 0.526 571 L N 0.014 121.311 121.223 0.123 0.000 2.046 571 L HA -0.078 4.262 4.340 0.000 0.000 0.208 571 L C 2.416 179.319 176.870 0.054 0.000 1.077 571 L CA 1.768 56.645 54.840 0.061 0.000 0.747 571 L CB -1.190 40.882 42.059 0.021 0.000 0.896 571 L HN 0.357 nan 8.230 nan 0.000 0.432 572 G N -0.852 107.979 108.800 0.051 0.000 2.421 572 G HA2 -0.158 3.803 3.960 0.000 0.000 0.217 572 G HA3 -0.158 3.803 3.960 0.000 0.000 0.217 572 G C 1.683 176.708 174.900 0.207 0.000 1.143 572 G CA 0.214 45.369 45.100 0.092 0.000 0.784 572 G HN 0.338 nan 8.290 nan 0.000 0.541 573 L N 0.605 121.958 121.223 0.217 0.000 2.141 573 L HA -0.000 4.340 4.340 0.000 0.000 0.209 573 L C 2.175 179.084 176.870 0.065 0.000 1.094 573 L CA 0.929 55.891 54.840 0.203 0.000 0.763 573 L CB -0.249 41.947 42.059 0.229 0.000 0.908 573 L HN 0.066 nan 8.230 nan 0.000 0.437 574 D N -0.372 120.053 120.400 0.042 0.000 2.264 574 D HA -0.193 4.447 4.640 0.000 0.000 0.208 574 D C 2.140 178.418 176.300 -0.038 0.000 0.966 574 D CA 0.929 54.914 54.000 -0.026 0.000 0.864 574 D CB 0.167 40.956 40.800 -0.018 0.000 0.933 574 D HN 0.307 nan 8.370 nan 0.000 0.499 575 Q N 0.615 120.411 119.800 -0.006 0.000 2.137 575 Q HA -0.044 4.296 4.340 0.000 0.000 0.198 575 Q C 1.187 177.140 176.000 -0.078 0.000 0.960 575 Q CA 1.271 57.064 55.803 -0.017 0.000 0.847 575 Q CB 0.304 29.059 28.738 0.027 0.000 0.915 575 Q HN -0.061 nan 8.270 nan 0.000 0.448 576 K N -1.264 119.055 120.400 -0.135 0.000 2.374 576 K HA 0.225 4.546 4.320 0.000 0.000 0.202 576 K C 1.267 177.662 176.600 -0.342 0.000 1.040 576 K CA -0.069 56.007 56.287 -0.351 0.000 1.085 576 K CB 0.365 32.500 32.500 -0.608 0.000 0.873 576 K HN 0.042 nan 8.250 nan 0.000 0.539 577 R N 0.890 121.279 120.500 -0.185 0.000 2.113 577 R HA -0.101 4.239 4.340 0.000 0.000 0.244 577 R C 1.052 177.302 176.300 -0.083 0.000 1.142 577 R CA 1.490 57.528 56.100 -0.103 0.000 0.953 577 R CB 0.135 30.295 30.300 -0.234 0.000 0.860 577 R HN -0.087 nan 8.270 nan 0.000 0.438 578 R N 0.666 121.094 120.500 -0.119 0.000 2.423 578 R HA 0.119 4.459 4.340 0.000 0.000 0.248 578 R C 0.330 176.597 176.300 -0.056 0.000 1.019 578 R CA 0.355 56.415 56.100 -0.066 0.000 1.119 578 R CB 0.208 30.468 30.300 -0.066 0.000 1.176 578 R HN 0.334 nan 8.270 nan 0.000 0.526 579 K N -1.255 119.068 120.400 -0.128 0.000 3.334 579 K HA 0.124 4.444 4.320 0.000 0.000 0.249 579 K C 0.719 177.270 176.600 -0.081 0.000 1.231 579 K CA 0.212 56.422 56.287 -0.129 0.000 1.266 579 K CB 0.179 32.503 32.500 -0.294 0.000 2.012 579 K HN 0.045 nan 8.250 nan 0.000 0.440 580 Y N -0.868 119.296 120.300 -0.227 0.000 2.527 580 Y HA 0.451 5.001 4.550 0.000 0.000 0.247 580 Y C -0.062 175.732 175.900 -0.177 0.000 1.138 580 Y CA -0.790 57.140 58.100 -0.282 0.000 1.228 580 Y CB 0.249 38.217 38.460 -0.820 0.000 1.252 580 Y HN -0.272 nan 8.280 nan 0.000 0.531 581 V N 3.243 122.962 119.914 -0.327 0.000 2.385 581 V HA 0.185 4.305 4.120 0.000 0.000 0.269 581 V C 0.809 176.870 176.094 -0.054 0.000 1.043 581 V CA -0.411 61.719 62.300 -0.283 0.000 0.906 581 V CB 1.256 32.768 31.823 -0.519 0.000 0.995 581 V HN 0.348 nan 8.190 nan 0.000 0.467 582 V N 1.895 121.756 119.914 -0.088 0.000 3.276 582 V HA 0.790 4.910 4.120 0.000 0.000 0.319 582 V C 0.567 176.383 176.094 -0.463 0.000 1.427 582 V CA 0.444 62.699 62.300 -0.076 0.000 1.102 582 V CB 0.025 31.921 31.823 0.120 0.000 1.020 582 V HN 0.847 nan 8.190 nan 0.000 0.456 583 G N -0.215 108.190 108.800 -0.658 0.000 2.623 583 G HA2 0.636 4.596 3.960 0.000 0.000 0.290 583 G HA3 0.636 4.596 3.960 0.000 0.000 0.290 583 G C -1.971 172.687 174.900 -0.404 0.000 1.437 583 G CA -0.392 44.284 45.100 -0.706 0.000 0.798 583 G HN 0.261 nan 8.290 nan 0.000 0.488 584 E N -0.440 119.664 120.200 -0.160 0.000 2.343 584 E HA 0.490 4.840 4.350 0.000 0.000 0.286 584 E C -2.063 174.676 176.600 0.232 0.000 0.915 584 E CA -0.664 55.848 56.400 0.187 0.000 0.784 584 E CB 1.973 31.919 29.700 0.409 0.000 1.251 584 E HN 0.252 nan 8.360 nan 0.000 0.407 585 L N 5.529 126.923 121.223 0.285 0.000 2.457 585 L HA 0.431 4.771 4.340 0.000 0.000 0.266 585 L C -0.056 176.859 176.870 0.075 0.000 0.979 585 L CA -0.338 54.625 54.840 0.205 0.000 0.857 585 L CB 1.522 43.682 42.059 0.169 0.000 1.213 585 L HN 0.676 nan 8.230 nan 0.000 0.418 586 I N 2.607 123.108 120.570 -0.115 0.000 2.938 586 I HA -0.063 4.107 4.170 0.000 0.000 0.285 586 I C 1.109 177.096 176.117 -0.217 0.000 1.182 586 I CA 0.183 61.039 61.300 -0.740 0.000 1.388 586 I CB 1.143 38.855 38.000 -0.480 0.000 1.390 586 I HN 0.828 nan 8.210 nan 0.000 0.600 587 W N 6.452 127.481 121.300 -0.453 0.000 1.647 587 W HA -0.167 4.493 4.660 0.000 0.000 0.280 587 W C 0.444 176.974 176.519 0.019 0.000 0.889 587 W CA 0.553 57.827 57.345 -0.119 0.000 0.967 587 W CB -0.191 29.242 29.460 -0.045 0.000 1.083 587 W HN 0.494 nan 8.180 nan 0.000 0.513 588 N N 0.553 118.882 118.700 -0.619 0.000 2.473 588 N HA 0.056 4.796 4.740 0.000 0.000 0.291 588 N C 0.418 175.823 175.510 -0.176 0.000 1.083 588 N CA -0.358 52.308 53.050 -0.641 0.000 0.951 588 N CB 1.391 39.387 38.487 -0.818 0.000 1.164 588 N HN 0.113 nan 8.380 nan 0.000 0.480 589 F N 2.798 122.618 119.950 -0.216 0.000 2.102 589 F HA 0.061 4.588 4.527 0.000 0.000 0.298 589 F C 0.651 176.495 175.800 0.074 0.000 1.105 589 F CA 1.049 59.039 58.000 -0.017 0.000 1.239 589 F CB 0.084 39.016 39.000 -0.114 0.000 0.991 589 F HN 0.490 nan 8.300 nan 0.000 0.474 590 A N -0.776 122.082 122.820 0.063 0.000 2.552 590 A HA 0.518 4.838 4.320 0.000 0.000 0.288 590 A C -1.405 176.152 177.584 -0.044 0.000 1.193 590 A CA -0.763 51.259 52.037 -0.026 0.000 0.713 590 A CB 0.303 19.286 19.000 -0.027 0.000 1.305 590 A HN 0.052 nan 8.150 nan 0.000 0.424 591 D N 0.442 120.789 120.400 -0.089 0.000 2.302 591 D HA 0.611 5.251 4.640 0.000 0.000 0.248 591 D C -0.475 175.777 176.300 -0.080 0.000 1.094 591 D CA 0.638 54.519 54.000 -0.198 0.000 0.897 591 D CB 0.673 41.377 40.800 -0.159 0.000 1.200 591 D HN 0.413 nan 8.370 nan 0.000 0.429 592 F N -0.958 118.966 119.950 -0.043 0.000 2.706 592 F HA 0.614 5.141 4.527 0.000 0.000 0.328 592 F C -0.561 175.280 175.800 0.068 0.000 1.123 592 F CA -1.710 56.283 58.000 -0.011 0.000 0.978 592 F CB 0.722 39.657 39.000 -0.108 0.000 1.404 592 F HN 0.072 nan 8.300 nan 0.000 0.497 593 M N 2.250 122.130 119.600 0.466 0.000 2.277 593 M HA 0.601 5.081 4.480 0.000 0.000 0.350 593 M C -0.461 176.146 176.300 0.511 0.000 1.180 593 M CA -0.003 55.510 55.300 0.356 0.000 1.103 593 M CB 1.053 33.867 32.600 0.356 0.000 1.577 593 M HN 0.909 nan 8.290 nan 0.000 0.459 594 T N 0.942 115.681 114.554 0.309 0.000 2.864 594 T HA 0.673 5.024 4.350 0.000 0.000 0.289 594 T C -0.514 174.303 174.700 0.196 0.000 1.082 594 T CA -1.007 61.314 62.100 0.368 0.000 1.009 594 T CB 1.049 70.103 68.868 0.309 0.000 1.234 594 T HN 0.640 nan 8.240 nan 0.000 0.526 595 E N 0.483 120.825 120.200 0.236 0.000 2.404 595 E HA 0.134 4.484 4.350 0.000 0.000 0.261 595 E C -0.339 176.313 176.600 0.086 0.000 1.074 595 E CA 0.015 56.524 56.400 0.183 0.000 0.917 595 E CB 0.411 30.190 29.700 0.132 0.000 0.965 595 E HN 0.541 nan 8.360 nan 0.000 0.433 596 Q N 1.844 121.682 119.800 0.063 0.000 2.263 596 Q HA 0.258 4.598 4.340 0.000 0.000 0.270 596 Q C -0.812 175.214 176.000 0.042 0.000 1.104 596 Q CA 0.039 55.867 55.803 0.042 0.000 0.909 596 Q CB 0.444 29.202 28.738 0.034 0.000 1.214 596 Q HN 0.523 nan 8.270 nan 0.000 0.400 597 S N 1.117 116.849 115.700 0.052 0.000 2.556 597 S HA 0.428 4.898 4.470 0.000 0.000 0.271 597 S C -2.500 172.141 174.600 0.068 0.000 1.135 597 S CA -1.533 56.701 58.200 0.057 0.000 0.858 597 S CB 1.824 65.063 63.200 0.065 0.000 1.114 597 S HN 0.205 nan 8.310 nan 0.000 0.468 598 P HA -0.066 nan 4.420 nan 0.000 0.220 598 P C 1.202 178.566 177.300 0.108 0.000 1.144 598 P CA 1.495 64.636 63.100 0.068 0.000 0.800 598 P CB -0.253 31.484 31.700 0.062 0.000 0.772 599 T N -4.429 110.208 114.554 0.139 0.000 3.065 599 T HA 0.145 4.495 4.350 0.000 0.000 0.252 599 T C 0.878 175.714 174.700 0.226 0.000 1.099 599 T CA 0.104 62.330 62.100 0.210 0.000 1.063 599 T CB 0.030 69.028 68.868 0.217 0.000 0.948 599 T HN -0.109 nan 8.240 nan 0.000 0.506 600 R N 1.969 122.564 120.500 0.158 0.000 2.288 600 R HA 0.468 4.808 4.340 0.000 0.000 0.326 600 R C -1.156 175.198 176.300 0.089 0.000 0.959 600 R CA -0.649 55.530 56.100 0.131 0.000 0.834 600 R CB 1.580 31.949 30.300 0.115 0.000 1.157 600 R HN 0.184 nan 8.270 nan 0.000 0.470 601 V N 6.220 126.184 119.914 0.084 0.000 2.284 601 V HA 0.151 4.271 4.120 0.000 0.000 0.260 601 V C 0.606 176.697 176.094 -0.005 0.000 1.084 601 V CA -0.335 61.980 62.300 0.025 0.000 0.894 601 V CB -0.224 31.596 31.823 -0.005 0.000 1.119 601 V HN 0.699 nan 8.190 nan 0.000 0.484 602 L N 5.613 126.833 121.223 -0.005 0.000 3.717 602 L HA -0.139 4.202 4.340 0.000 0.000 0.414 602 L C 0.720 177.580 176.870 -0.018 0.000 1.228 602 L CA 1.511 56.342 54.840 -0.016 0.000 0.918 602 L CB -1.935 40.110 42.059 -0.023 0.000 1.865 602 L HN 1.459 nan 8.230 nan 0.000 0.922 603 G N -0.434 108.364 108.800 -0.003 0.000 2.422 603 G HA2 -0.191 3.769 3.960 0.000 0.000 0.607 603 G HA3 -0.191 3.769 3.960 0.000 0.000 0.607 603 G C -0.276 174.577 174.900 -0.078 0.000 1.270 603 G CA -0.053 45.038 45.100 -0.014 0.000 0.992 603 G HN 0.442 nan 8.290 nan 0.000 0.499 604 N N 0.567 119.113 118.700 -0.257 0.000 2.448 604 N HA 0.365 5.105 4.740 0.000 0.000 0.250 604 N C 0.853 176.126 175.510 -0.395 0.000 1.136 604 N CA -0.300 52.538 53.050 -0.352 0.000 0.953 604 N CB 0.398 38.455 38.487 -0.718 0.000 1.251 604 N HN 0.443 nan 8.380 nan 0.000 0.502 605 K N 2.563 122.841 120.400 -0.203 0.000 2.790 605 K HA -0.006 4.314 4.320 0.000 0.000 0.229 605 K C 0.376 176.846 176.600 -0.215 0.000 1.040 605 K CA 0.112 56.288 56.287 -0.186 0.000 1.211 605 K CB 0.216 32.657 32.500 -0.098 0.000 1.002 605 K HN 0.456 nan 8.250 nan 0.000 0.479 606 K N 0.404 120.663 120.400 -0.234 0.000 2.404 606 K HA 0.061 4.381 4.320 0.000 0.000 0.194 606 K C 0.640 177.118 176.600 -0.204 0.000 1.023 606 K CA -0.114 56.057 56.287 -0.192 0.000 1.094 606 K CB 0.489 33.025 32.500 0.060 0.000 0.841 606 K HN 0.216 nan 8.250 nan 0.000 0.523 607 G N 0.460 109.119 108.800 -0.235 0.000 2.448 607 G HA2 0.253 4.213 3.960 0.000 0.000 0.285 607 G HA3 0.253 4.213 3.960 0.000 0.000 0.285 607 G C 0.778 175.553 174.900 -0.208 0.000 1.176 607 G CA -0.656 44.313 45.100 -0.217 0.000 0.852 607 G HN 0.299 nan 8.290 nan 0.000 0.530 608 I N -1.899 118.519 120.570 -0.254 0.000 3.111 608 I HA 0.308 4.478 4.170 0.000 0.000 0.272 608 I C -0.312 175.498 176.117 -0.511 0.000 1.268 608 I CA 0.169 61.243 61.300 -0.378 0.000 1.467 608 I CB -0.280 37.425 38.000 -0.492 0.000 1.087 608 I HN 0.045 nan 8.210 nan 0.000 0.467 609 F N 1.070 120.865 119.950 -0.259 0.000 2.577 609 F HA 0.472 4.999 4.527 0.000 0.000 0.318 609 F C 0.841 176.501 175.800 -0.233 0.000 1.065 609 F CA -0.912 56.915 58.000 -0.289 0.000 0.929 609 F CB 1.605 40.295 39.000 -0.517 0.000 1.237 609 F HN -0.217 nan 8.300 nan 0.000 0.468 610 T N 0.084 114.652 114.554 0.024 0.000 2.689 610 T HA 0.144 4.494 4.350 0.000 0.000 0.308 610 T C 1.420 176.093 174.700 -0.044 0.000 1.021 610 T CA -0.591 61.490 62.100 -0.030 0.000 0.973 610 T CB 0.583 69.438 68.868 -0.022 0.000 1.113 610 T HN 0.617 nan 8.240 nan 0.000 0.522 611 R N -0.205 120.270 120.500 -0.042 0.000 2.115 611 R HA -0.060 4.280 4.340 0.000 0.000 0.230 611 R C 1.217 177.490 176.300 -0.044 0.000 1.111 611 R CA 1.094 57.176 56.100 -0.030 0.000 0.976 611 R CB -0.064 30.228 30.300 -0.014 0.000 0.870 611 R HN 0.498 nan 8.270 nan 0.000 0.445 612 Q N 0.137 119.909 119.800 -0.048 0.000 2.225 612 Q HA 0.143 4.483 4.340 0.000 0.000 0.222 612 Q C -0.540 175.405 176.000 -0.091 0.000 0.887 612 Q CA 0.013 55.781 55.803 -0.060 0.000 0.958 612 Q CB 0.585 29.297 28.738 -0.043 0.000 1.058 612 Q HN 0.061 nan 8.270 nan 0.000 0.459 613 R N -0.339 120.084 120.500 -0.129 0.000 3.627 613 R HA -0.170 4.170 4.340 0.000 0.000 0.281 613 R C -0.712 175.486 176.300 -0.169 0.000 1.140 613 R CA 0.547 56.505 56.100 -0.236 0.000 0.761 613 R CB -1.753 28.363 30.300 -0.306 0.000 1.181 613 R HN 0.224 nan 8.270 nan 0.000 0.472 614 Q N 0.491 120.264 119.800 -0.044 0.000 2.241 614 Q HA 0.378 4.718 4.340 0.000 0.000 0.254 614 Q C -2.043 174.031 176.000 0.124 0.000 0.917 614 Q CA -2.326 53.479 55.803 0.004 0.000 0.919 614 Q CB 1.085 29.824 28.738 0.001 0.000 1.237 614 Q HN 0.029 nan 8.270 nan 0.000 0.434 615 P HA 0.154 nan 4.420 nan 0.000 0.274 615 P C -0.708 176.635 177.300 0.072 0.000 1.231 615 P CA -0.186 62.958 63.100 0.073 0.000 0.790 615 P CB 1.346 33.010 31.700 -0.059 0.000 0.951 616 K N 0.498 120.876 120.400 -0.036 0.000 2.238 616 K HA 0.316 4.637 4.320 0.000 0.000 0.239 616 K C 1.608 178.309 176.600 0.168 0.000 0.987 616 K CA -0.665 55.645 56.287 0.038 0.000 0.857 616 K CB 0.902 33.361 32.500 -0.068 0.000 1.154 616 K HN 0.247 nan 8.250 nan 0.000 0.439 617 S N 0.769 116.585 115.700 0.192 0.000 2.402 617 S HA -0.228 4.242 4.470 0.000 0.000 0.233 617 S C 1.853 176.578 174.600 0.209 0.000 1.030 617 S CA 1.612 59.961 58.200 0.248 0.000 1.003 617 S CB -0.269 63.023 63.200 0.153 0.000 0.813 617 S HN 0.737 nan 8.310 nan 0.000 0.477 618 A N 1.559 124.423 122.820 0.072 0.000 1.969 618 A HA 0.183 4.503 4.320 0.000 0.000 0.218 618 A C 2.361 179.907 177.584 -0.063 0.000 1.169 618 A CA 1.504 53.542 52.037 0.001 0.000 0.635 618 A CB -1.031 17.935 19.000 -0.057 0.000 0.810 618 A HN 0.512 nan 8.150 nan 0.000 0.445 619 A N -0.461 122.263 122.820 -0.161 0.000 1.873 619 A HA -0.116 4.205 4.320 0.000 0.000 0.218 619 A C 1.917 179.322 177.584 -0.298 0.000 1.193 619 A CA 1.743 53.558 52.037 -0.371 0.000 0.629 619 A CB -0.961 17.674 19.000 -0.610 0.000 0.826 619 A HN 0.484 nan 8.150 nan 0.000 0.447 620 F N -0.733 119.193 119.950 -0.041 0.000 2.120 620 F HA -0.203 4.324 4.527 0.000 0.000 0.300 620 F C 2.100 177.841 175.800 -0.098 0.000 1.095 620 F CA 1.607 59.581 58.000 -0.042 0.000 1.249 620 F CB -0.619 38.406 39.000 0.042 0.000 0.995 620 F HN 0.274 nan 8.300 nan 0.000 0.480 621 L N -0.274 121.004 121.223 0.092 0.000 2.027 621 L HA -0.158 4.182 4.340 0.000 0.000 0.206 621 L C 2.190 179.014 176.870 -0.077 0.000 1.074 621 L CA 1.557 56.415 54.840 0.030 0.000 0.745 621 L CB -0.832 41.260 42.059 0.056 0.000 0.898 621 L HN 0.148 nan 8.230 nan 0.000 0.433 622 L N -0.464 120.661 121.223 -0.163 0.000 2.046 622 L HA -0.247 4.093 4.340 0.000 0.000 0.208 622 L C 2.838 179.417 176.870 -0.485 0.000 1.077 622 L CA 1.729 56.326 54.840 -0.404 0.000 0.747 622 L CB -0.429 41.372 42.059 -0.430 0.000 0.896 622 L HN 0.413 nan 8.230 nan 0.000 0.432 623 R N 0.199 120.508 120.500 -0.319 0.000 2.091 623 R HA -0.231 4.109 4.340 0.000 0.000 0.238 623 R C 1.972 178.276 176.300 0.007 0.000 1.136 623 R CA 1.988 57.970 56.100 -0.198 0.000 0.959 623 R CB -0.123 29.896 30.300 -0.468 0.000 0.856 623 R HN 0.494 nan 8.270 nan 0.000 0.437 624 E N -0.065 120.102 120.200 -0.054 0.000 2.051 624 E HA -0.245 4.105 4.350 0.000 0.000 0.192 624 E C 2.133 178.725 176.600 -0.015 0.000 0.991 624 E CA 1.657 58.055 56.400 -0.004 0.000 0.799 624 E CB -0.176 29.515 29.700 -0.014 0.000 0.748 624 E HN 0.444 nan 8.360 nan 0.000 0.449 625 R N 0.378 120.806 120.500 -0.121 0.000 2.073 625 R HA -0.188 4.152 4.340 0.000 0.000 0.234 625 R C 2.026 178.272 176.300 -0.090 0.000 1.134 625 R CA 1.544 57.549 56.100 -0.159 0.000 0.952 625 R CB -0.707 29.394 30.300 -0.331 0.000 0.850 625 R HN 0.110 nan 8.270 nan 0.000 0.433 626 Y N 0.026 120.164 120.300 -0.270 0.000 2.151 626 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 626 Y C 2.009 177.599 175.900 -0.517 0.000 1.166 626 Y CA 0.644 58.459 58.100 -0.474 0.000 1.163 626 Y CB -0.979 37.266 38.460 -0.358 0.000 0.974 626 Y HN 0.171 nan 8.280 nan 0.000 0.511 627 W N 0.383 121.613 121.300 -0.116 0.000 2.436 627 W HA -0.075 4.585 4.660 0.000 0.000 0.284 627 W C 2.607 179.033 176.519 -0.155 0.000 1.225 627 W CA 1.392 58.648 57.345 -0.148 0.000 1.271 627 W CB -0.255 29.127 29.460 -0.129 0.000 1.114 627 W HN -0.100 nan 8.180 nan 0.000 0.559 628 K N 0.910 121.351 120.400 0.069 0.000 2.002 628 K HA -0.197 4.123 4.320 0.000 0.000 0.209 628 K C 1.730 178.284 176.600 -0.077 0.000 1.048 628 K CA 1.868 58.151 56.287 -0.007 0.000 0.930 628 K CB -0.571 31.906 32.500 -0.039 0.000 0.714 628 K HN 0.125 nan 8.250 nan 0.000 0.438 629 I N 1.335 121.803 120.570 -0.171 0.000 2.127 629 I HA -0.266 3.904 4.170 0.000 0.000 0.241 629 I C 2.532 178.523 176.117 -0.210 0.000 1.075 629 I CA 1.319 62.472 61.300 -0.246 0.000 1.334 629 I CB -0.489 37.269 38.000 -0.404 0.000 1.040 629 I HN 0.280 nan 8.210 nan 0.000 0.405 630 A N 0.538 123.193 122.820 -0.275 0.000 2.084 630 A HA -0.220 4.100 4.320 0.000 0.000 0.221 630 A C 1.963 179.508 177.584 -0.065 0.000 1.161 630 A CA 1.879 53.818 52.037 -0.163 0.000 0.653 630 A CB -0.838 17.974 19.000 -0.313 0.000 0.802 630 A HN 0.564 nan 8.150 nan 0.000 0.457 631 N N -0.655 118.028 118.700 -0.029 0.000 2.392 631 N HA 0.001 4.741 4.740 0.000 0.000 0.177 631 N C 0.343 175.841 175.510 -0.020 0.000 1.066 631 N CA 0.001 53.054 53.050 0.004 0.000 0.895 631 N CB 0.269 38.777 38.487 0.036 0.000 0.988 631 N HN 0.635 nan 8.380 nan 0.000 0.457 632 E N 0.000 120.173 120.200 -0.045 0.000 2.725 632 E HA 0.000 4.350 4.350 0.000 0.000 0.291 632 E CA 0.000 56.372 56.400 -0.046 0.000 0.976 632 E CB 0.000 29.655 29.700 -0.075 0.000 0.812 632 E HN 0.000 nan 8.360 nan 0.000 0.440