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_B 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 0.000 174.892 174.900 -0.013 0.000 0.946 22 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 23 L N 1.662 122.875 121.223 -0.016 0.000 2.485 23 L HA 0.248 4.588 4.340 0.000 0.000 0.279 23 L C 0.422 177.281 176.870 -0.019 0.000 1.124 23 L CA -0.197 54.630 54.840 -0.021 0.000 0.888 23 L CB 0.288 42.331 42.059 -0.026 0.000 1.217 23 L HN 0.430 nan 8.230 nan 0.000 0.464 24 Q N 3.656 123.447 119.800 -0.015 0.000 2.780 24 Q HA 0.487 4.827 4.340 0.000 0.000 0.234 24 Q C 0.678 176.677 176.000 -0.001 0.000 1.355 24 Q CA 0.004 55.803 55.803 -0.007 0.000 0.919 24 Q CB 0.525 29.262 28.738 -0.002 0.000 1.645 24 Q HN 0.816 nan 8.270 nan 0.000 0.568 25 G N -0.401 108.394 108.800 -0.009 0.000 2.146 25 G HA2 0.357 4.317 3.960 0.000 0.000 0.261 25 G HA3 0.357 4.317 3.960 0.000 0.000 0.261 25 G C -0.450 174.434 174.900 -0.026 0.000 1.745 25 G CA -0.478 44.619 45.100 -0.005 0.000 0.905 25 G HN 0.455 nan 8.290 nan 0.000 0.746 26 G N -0.492 108.272 108.800 -0.059 0.000 2.502 26 G HA2 0.747 4.707 3.960 0.000 0.000 0.305 26 G HA3 0.747 4.707 3.960 0.000 0.000 0.305 26 G C -0.174 174.695 174.900 -0.051 0.000 1.190 26 G CA -0.729 44.319 45.100 -0.086 0.000 0.933 26 G HN 1.293 nan 8.290 nan 0.000 0.503 27 M N 0.925 120.500 119.600 -0.042 0.000 2.483 27 M HA 0.330 4.811 4.480 0.000 0.000 0.251 27 M C -1.592 174.717 176.300 0.015 0.000 1.157 27 M CA -0.388 54.916 55.300 0.007 0.000 0.837 27 M CB 0.553 33.176 32.600 0.038 0.000 2.535 27 M HN 0.345 nan 8.290 nan 0.000 0.374 28 L N 0.748 121.974 121.223 0.004 0.000 2.358 28 L HA 0.648 4.988 4.340 0.000 0.000 0.268 28 L C -0.473 176.510 176.870 0.187 0.000 1.032 28 L CA -0.890 53.969 54.840 0.031 0.000 0.805 28 L CB 0.026 41.971 42.059 -0.189 0.000 1.253 28 L HN 0.368 nan 8.230 nan 0.000 0.452 29 Y N 1.799 122.186 120.300 0.146 0.000 2.531 29 Y HA 0.340 4.890 4.550 0.000 0.000 0.347 29 Y C -2.036 173.896 175.900 0.053 0.000 1.024 29 Y CA -2.742 55.421 58.100 0.104 0.000 1.306 29 Y CB 0.091 38.626 38.460 0.125 0.000 1.149 29 Y HN 0.474 nan 8.280 nan 0.000 0.527 30 P HA -0.146 nan 4.420 nan 0.000 0.257 30 P C -0.793 176.105 177.300 -0.670 0.000 1.144 30 P CA 0.876 63.303 63.100 -1.121 0.000 0.761 30 P CB 0.246 31.262 31.700 -1.139 0.000 0.734 31 Q N 2.042 121.713 119.800 -0.214 0.000 2.351 31 Q HA 0.272 4.612 4.340 0.000 0.000 0.273 31 Q C -0.416 175.599 176.000 0.026 0.000 1.077 31 Q CA -0.796 54.917 55.803 -0.151 0.000 0.843 31 Q CB 1.463 29.991 28.738 -0.350 0.000 1.367 31 Q HN 0.366 nan 8.270 nan 0.000 0.449 32 E N 1.569 121.748 120.200 -0.036 0.000 2.001 32 E HA 0.260 4.610 4.350 0.000 0.000 0.279 32 E C -1.166 175.425 176.600 -0.015 0.000 1.045 32 E CA -0.188 56.217 56.400 0.009 0.000 0.833 32 E CB 0.911 30.604 29.700 -0.012 0.000 1.077 32 E HN 0.549 nan 8.360 nan 0.000 0.397 33 S N 1.878 117.591 115.700 0.021 0.000 2.595 33 S HA 0.285 4.755 4.470 0.000 0.000 0.270 33 S C -3.007 171.610 174.600 0.027 0.000 1.145 33 S CA -1.566 56.628 58.200 -0.011 0.000 0.825 33 S CB 1.299 64.487 63.200 -0.020 0.000 1.107 33 S HN 0.051 nan 8.310 nan 0.000 0.461 34 P HA 0.188 nan 4.420 nan 0.000 0.191 34 P C -0.750 176.592 177.300 0.070 0.000 0.942 34 P CA 1.444 64.576 63.100 0.053 0.000 1.312 34 P CB -0.758 30.990 31.700 0.079 0.000 1.452 35 S N 0.965 116.689 115.700 0.040 0.000 3.539 35 S HA 0.001 4.471 4.470 0.000 0.000 0.849 35 S C -0.139 174.412 174.600 -0.080 0.000 0.390 35 S CA -0.691 57.487 58.200 -0.036 0.000 1.336 35 S CB -0.623 62.522 63.200 -0.091 0.000 0.749 35 S HN 0.653 nan 8.310 nan 0.000 1.079 36 R N 0.925 121.461 120.500 0.060 0.000 2.817 36 R HA 0.775 5.115 4.340 0.000 0.000 0.268 36 R C -0.194 176.350 176.300 0.408 0.000 1.027 36 R CA -1.322 54.892 56.100 0.190 0.000 0.928 36 R CB 0.659 31.099 30.300 0.232 0.000 1.228 36 R HN 0.296 nan 8.270 nan 0.000 0.469 37 E N 0.858 121.400 120.200 0.571 0.000 2.435 37 E HA 0.018 4.369 4.350 0.000 0.000 0.256 37 E C -0.780 176.045 176.600 0.375 0.000 1.245 37 E CA -0.443 56.261 56.400 0.507 0.000 0.989 37 E CB 1.016 30.899 29.700 0.305 0.000 0.983 37 E HN 0.595 nan 8.360 nan 0.000 0.480 38 C N 3.310 122.807 119.300 0.327 0.000 2.654 38 C HA 0.267 4.727 4.460 0.000 0.000 0.315 38 C C -0.191 174.903 174.990 0.173 0.000 1.054 38 C CA -0.902 58.243 59.018 0.213 0.000 1.419 38 C CB -0.429 27.445 27.740 0.223 0.000 1.889 38 C HN 0.663 nan 8.230 nan 0.000 0.447 39 K N 3.709 124.192 120.400 0.137 0.000 2.021 39 K HA 0.019 4.339 4.320 0.000 0.000 0.238 39 K C 0.753 177.450 176.600 0.161 0.000 1.149 39 K CA 0.420 56.791 56.287 0.140 0.000 1.105 39 K CB -0.091 32.496 32.500 0.144 0.000 1.246 39 K HN 0.959 nan 8.250 nan 0.000 0.307 40 E N 1.490 121.797 120.200 0.178 0.000 2.461 40 E HA -0.077 4.273 4.350 0.000 0.000 0.196 40 E C 0.239 177.031 176.600 0.319 0.000 1.129 40 E CA -0.103 56.416 56.400 0.197 0.000 0.902 40 E CB -0.561 29.236 29.700 0.161 0.000 0.963 40 E HN 0.651 nan 8.360 nan 0.000 0.503 41 L N -0.691 120.703 121.223 0.286 0.000 2.387 41 L HA 0.476 4.816 4.340 0.000 0.000 0.267 41 L C -0.751 176.284 176.870 0.275 0.000 1.197 41 L CA -0.322 54.699 54.840 0.301 0.000 1.070 41 L CB 0.010 42.165 42.059 0.159 0.000 1.349 41 L HN -0.092 nan 8.230 nan 0.000 0.422 42 D N 1.208 121.813 120.400 0.342 0.000 2.838 42 D HA 0.460 5.100 4.640 0.000 0.000 0.334 42 D C 0.257 176.737 176.300 0.301 0.000 1.315 42 D CA 0.135 54.288 54.000 0.255 0.000 0.917 42 D CB 1.452 42.364 40.800 0.187 0.000 1.435 42 D HN 0.582 nan 8.370 nan 0.000 0.517 43 G N -0.164 108.758 108.800 0.203 0.000 2.606 43 G HA2 -0.192 3.768 3.960 0.000 0.000 0.285 43 G HA3 -0.192 3.768 3.960 0.000 0.000 0.285 43 G C -0.819 174.230 174.900 0.249 0.000 1.311 43 G CA -0.308 44.899 45.100 0.179 0.000 0.922 43 G HN 0.278 nan 8.290 nan 0.000 0.559 44 L N -0.426 120.916 121.223 0.197 0.000 2.287 44 L HA 0.633 4.973 4.340 0.000 0.000 0.287 44 L C -0.217 176.828 176.870 0.291 0.000 1.022 44 L CA -0.764 54.205 54.840 0.214 0.000 0.814 44 L CB 1.012 43.133 42.059 0.104 0.000 1.217 44 L HN 0.570 nan 8.230 nan 0.000 0.420 45 W N 1.432 122.732 121.300 0.000 0.000 2.448 45 W HA 0.508 5.168 4.660 0.000 0.000 0.339 45 W C 0.883 177.419 176.519 0.028 0.000 1.124 45 W CA -0.449 56.921 57.345 0.040 0.000 1.262 45 W CB 1.034 30.534 29.460 0.067 0.000 1.251 45 W HN 0.425 nan 8.180 nan 0.000 0.597 46 S N 1.643 117.527 115.700 0.306 0.000 2.579 46 S HA 0.440 4.910 4.470 0.000 0.000 0.275 46 S C -1.152 173.632 174.600 0.305 0.000 1.345 46 S CA -0.198 58.143 58.200 0.236 0.000 1.031 46 S CB -0.076 63.243 63.200 0.199 0.000 0.892 46 S HN 0.287 nan 8.310 nan 0.000 0.529 47 F N 3.875 123.851 119.950 0.044 0.000 2.630 47 F HA 0.648 5.175 4.527 0.000 0.000 0.325 47 F C -0.851 174.965 175.800 0.027 0.000 1.184 47 F CA -0.784 57.225 58.000 0.015 0.000 1.011 47 F CB 1.119 40.025 39.000 -0.157 0.000 1.268 47 F HN 0.562 nan 8.300 nan 0.000 0.480 48 R N 4.423 124.648 120.500 -0.458 0.000 2.854 48 R HA 0.958 5.298 4.340 0.000 0.000 0.271 48 R C -1.888 174.014 176.300 -0.663 0.000 0.996 48 R CA -0.589 55.223 56.100 -0.481 0.000 0.961 48 R CB 2.141 32.225 30.300 -0.361 0.000 1.182 48 R HN 0.936 nan 8.270 nan 0.000 0.479 49 A N 2.964 125.530 122.820 -0.424 0.000 2.465 49 A HA 0.410 4.730 4.320 0.000 0.000 0.292 49 A C -1.917 175.702 177.584 0.058 0.000 1.041 49 A CA -0.698 51.180 52.037 -0.265 0.000 0.718 49 A CB 1.138 19.729 19.000 -0.683 0.000 1.266 49 A HN 0.814 nan 8.150 nan 0.000 0.403 50 D N 1.031 121.665 120.400 0.389 0.000 2.527 50 D HA 0.785 5.425 4.640 0.000 0.000 0.233 50 D C -1.658 175.004 176.300 0.603 0.000 1.063 50 D CA -0.325 53.950 54.000 0.459 0.000 0.880 50 D CB 2.056 43.222 40.800 0.610 0.000 1.457 50 D HN 0.371 nan 8.370 nan 0.000 0.475 51 F N 0.706 120.868 119.950 0.354 0.000 2.660 51 F HA 0.323 4.850 4.527 0.000 0.000 0.320 51 F C -0.467 175.477 175.800 0.239 0.000 1.099 51 F CA -0.394 57.812 58.000 0.344 0.000 1.061 51 F CB 1.824 41.115 39.000 0.485 0.000 1.300 51 F HN 0.387 nan 8.300 nan 0.000 0.479 52 S N 2.405 118.328 115.700 0.370 0.000 2.775 52 S HA 0.291 4.761 4.470 0.000 0.000 0.227 52 S C -0.780 173.957 174.600 0.229 0.000 0.845 52 S CA 0.104 58.484 58.200 0.299 0.000 1.407 52 S CB -0.177 63.143 63.200 0.199 0.000 1.259 52 S HN 0.841 nan 8.310 nan 0.000 0.612 53 D N 0.226 120.748 120.400 0.203 0.000 5.300 53 D HA 0.009 4.649 4.640 0.000 0.000 0.374 53 D C -0.041 176.237 176.300 -0.036 0.000 1.838 53 D CA 0.382 54.469 54.000 0.145 0.000 1.058 53 D CB -0.931 39.918 40.800 0.081 0.000 1.481 53 D HN 0.349 nan 8.370 nan 0.000 0.678 54 N N 0.925 119.584 118.700 -0.068 0.000 2.128 54 N HA 0.032 4.772 4.740 0.000 0.000 0.242 54 N C 1.002 176.359 175.510 -0.255 0.000 1.256 54 N CA 0.767 53.736 53.050 -0.135 0.000 0.933 54 N CB -0.262 38.188 38.487 -0.062 0.000 0.992 54 N HN 0.205 nan 8.380 nan 0.000 0.405 55 R N -0.761 119.661 120.500 -0.130 0.000 2.285 55 R HA 0.135 4.475 4.340 0.000 0.000 0.213 55 R C 0.129 176.366 176.300 -0.104 0.000 1.068 55 R CA 0.099 56.158 56.100 -0.068 0.000 1.004 55 R CB -0.346 29.962 30.300 0.013 0.000 0.873 55 R HN 0.299 nan 8.270 nan 0.000 0.467 56 R N -0.341 120.074 120.500 -0.141 0.000 3.673 56 R HA -0.247 4.093 4.340 0.000 0.000 0.551 56 R C 0.845 177.023 176.300 -0.203 0.000 0.241 56 R CA 1.354 57.368 56.100 -0.143 0.000 1.708 56 R CB -1.007 29.210 30.300 -0.139 0.000 0.969 56 R HN 0.274 nan 8.270 nan 0.000 0.581 57 R N 0.272 120.611 120.500 -0.268 0.000 1.728 57 R HA -0.104 4.236 4.340 0.000 0.000 0.114 57 R C 1.842 177.627 176.300 -0.857 0.000 0.568 57 R CA 1.497 57.312 56.100 -0.474 0.000 1.747 57 R CB -0.992 29.092 30.300 -0.361 0.000 0.506 57 R HN 0.844 nan 8.270 nan 0.000 0.707 58 G N 0.754 108.374 108.800 -1.967 0.000 2.752 58 G HA2 -0.399 3.561 3.960 0.000 0.000 0.349 58 G HA3 -0.399 3.561 3.960 0.000 0.000 0.349 58 G C 1.017 175.391 174.900 -0.878 0.000 1.181 58 G CA 1.222 45.232 45.100 -1.817 0.000 0.949 58 G HN 0.384 nan 8.290 nan 0.000 0.562 59 F N 1.831 121.564 119.950 -0.363 0.000 2.171 59 F HA 0.062 4.589 4.527 0.000 0.000 0.300 59 F C 2.865 178.548 175.800 -0.195 0.000 1.090 59 F CA 2.036 59.918 58.000 -0.197 0.000 1.293 59 F CB -0.561 38.305 39.000 -0.225 0.000 1.013 59 F HN 0.483 nan 8.300 nan 0.000 0.486 60 E N -0.590 119.564 120.200 -0.076 0.000 2.267 60 E HA -0.203 4.147 4.350 0.000 0.000 0.197 60 E C 1.461 177.989 176.600 -0.120 0.000 0.998 60 E CA 0.963 57.307 56.400 -0.093 0.000 0.830 60 E CB -0.077 29.553 29.700 -0.117 0.000 0.751 60 E HN 0.276 nan 8.360 nan 0.000 0.491 61 E N -0.002 120.063 120.200 -0.225 0.000 2.660 61 E HA 0.007 4.357 4.350 0.000 0.000 0.216 61 E C -0.491 176.041 176.600 -0.113 0.000 0.986 61 E CA -0.013 56.293 56.400 -0.157 0.000 1.037 61 E CB 0.469 30.103 29.700 -0.111 0.000 1.041 61 E HN 0.114 nan 8.360 nan 0.000 0.480 62 Q N -1.569 118.194 119.800 -0.061 0.000 2.461 62 Q HA -0.234 4.106 4.340 0.000 0.000 0.264 62 Q C 0.410 176.403 176.000 -0.012 0.000 1.085 62 Q CA 0.974 56.809 55.803 0.054 0.000 1.006 62 Q CB -2.253 26.393 28.738 -0.153 0.000 1.437 62 Q HN 0.324 nan 8.270 nan 0.000 0.514 63 W N 0.100 121.251 121.300 -0.249 0.000 2.169 63 W HA -0.337 4.323 4.660 0.000 0.000 0.340 63 W C 1.935 178.200 176.519 -0.422 0.000 1.416 63 W CA 2.256 59.318 57.345 -0.473 0.000 1.473 63 W CB -1.848 27.067 29.460 -0.909 0.000 1.071 63 W HN 0.799 nan 8.180 nan 0.000 0.487 64 Y N 1.617 121.712 120.300 -0.341 0.000 2.749 64 Y HA 0.033 4.583 4.550 0.000 0.000 0.321 64 Y C 1.712 177.430 175.900 -0.303 0.000 1.195 64 Y CA 0.903 58.790 58.100 -0.355 0.000 1.338 64 Y CB -1.588 36.383 38.460 -0.816 0.000 1.017 64 Y HN 0.088 nan 8.280 nan 0.000 0.517 65 R N 2.405 122.574 120.500 -0.553 0.000 3.179 65 R HA 0.391 4.731 4.340 0.000 0.000 0.317 65 R C -0.364 175.764 176.300 -0.287 0.000 1.331 65 R CA -0.138 55.672 56.100 -0.484 0.000 1.184 65 R CB -0.315 29.677 30.300 -0.514 0.000 1.408 65 R HN 0.729 nan 8.270 nan 0.000 0.598 66 R N -1.303 119.056 120.500 -0.234 0.000 3.718 66 R HA 0.189 4.529 4.340 0.000 0.000 0.260 66 R C -3.418 172.760 176.300 -0.204 0.000 0.880 66 R CA -0.984 54.986 56.100 -0.215 0.000 0.753 66 R CB -0.491 29.642 30.300 -0.277 0.000 1.737 66 R HN 0.086 nan 8.270 nan 0.000 0.442 67 P HA 0.336 nan 4.420 nan 0.000 0.292 67 P C 0.600 177.661 177.300 -0.398 0.000 1.300 67 P CA -0.796 62.155 63.100 -0.249 0.000 0.900 67 P CB 1.843 33.417 31.700 -0.209 0.000 1.139 68 L N 1.652 122.733 121.223 -0.237 0.000 2.042 68 L HA -0.150 4.190 4.340 0.000 0.000 0.210 68 L C 2.569 179.236 176.870 -0.339 0.000 1.076 68 L CA 1.723 56.361 54.840 -0.336 0.000 0.749 68 L CB -0.776 41.142 42.059 -0.235 0.000 0.893 68 L HN 0.595 nan 8.230 nan 0.000 0.432 69 W N 0.449 121.639 121.300 -0.184 0.000 2.331 69 W HA -0.286 4.374 4.660 0.000 0.000 0.291 69 W C 1.750 178.166 176.519 -0.172 0.000 1.214 69 W CA 1.448 58.696 57.345 -0.161 0.000 1.228 69 W CB -0.800 28.601 29.460 -0.099 0.000 1.135 69 W HN 0.305 nan 8.180 nan 0.000 0.537 70 E N 0.956 120.478 120.200 -1.131 0.000 2.150 70 E HA -0.136 4.214 4.350 0.000 0.000 0.193 70 E C 2.167 178.434 176.600 -0.556 0.000 0.985 70 E CA 1.817 57.512 56.400 -1.176 0.000 0.814 70 E CB -0.165 28.749 29.700 -1.310 0.000 0.752 70 E HN 0.109 nan 8.360 nan 0.000 0.466 71 S N -0.654 114.721 115.700 -0.540 0.000 2.527 71 S HA 0.241 4.711 4.470 0.000 0.000 0.222 71 S C 0.374 174.677 174.600 -0.494 0.000 0.985 71 S CA 0.430 58.318 58.200 -0.521 0.000 0.921 71 S CB 0.913 63.634 63.200 -0.798 0.000 0.772 71 S HN 0.445 nan 8.310 nan 0.000 0.529 72 G N 1.830 110.397 108.800 -0.388 0.000 2.350 72 G HA2 0.246 4.206 3.960 0.000 0.000 0.305 72 G HA3 0.246 4.206 3.960 0.000 0.000 0.305 72 G C -3.512 171.282 174.900 -0.177 0.000 1.479 72 G CA -1.201 43.741 45.100 -0.264 0.000 0.949 72 G HN -0.132 nan 8.290 nan 0.000 0.651 73 P HA 0.232 nan 4.420 nan 0.000 0.262 73 P C 0.139 177.406 177.300 -0.056 0.000 1.182 73 P CA 0.665 63.746 63.100 -0.032 0.000 0.761 73 P CB 0.663 32.354 31.700 -0.016 0.000 0.795 74 T N 1.499 116.048 114.554 -0.008 0.000 2.905 74 T HA 0.628 4.978 4.350 0.000 0.000 0.283 74 T C 0.015 174.747 174.700 0.054 0.000 1.031 74 T CA -0.721 61.383 62.100 0.008 0.000 1.002 74 T CB 1.412 70.297 68.868 0.030 0.000 1.200 74 T HN 0.197 nan 8.240 nan 0.000 0.560 75 V N 0.307 120.288 119.914 0.111 0.000 3.078 75 V HA 0.430 4.550 4.120 0.000 0.000 0.311 75 V C -1.061 175.124 176.094 0.152 0.000 1.138 75 V CA -0.956 61.425 62.300 0.135 0.000 1.007 75 V CB 2.532 34.472 31.823 0.195 0.000 1.045 75 V HN 0.888 nan 8.190 nan 0.000 0.432 76 D N 2.028 122.476 120.400 0.080 0.000 2.348 76 D HA 0.681 5.321 4.640 0.000 0.000 0.249 76 D C -0.353 175.924 176.300 -0.038 0.000 1.110 76 D CA -0.097 53.934 54.000 0.052 0.000 0.967 76 D CB 0.795 41.614 40.800 0.032 0.000 1.139 76 D HN 0.186 nan 8.370 nan 0.000 0.466 77 M N 1.871 121.433 119.600 -0.065 0.000 2.331 77 M HA 0.192 4.672 4.480 0.000 0.000 0.228 77 M C -2.725 173.480 176.300 -0.158 0.000 0.986 77 M CA -1.637 53.512 55.300 -0.252 0.000 0.972 77 M CB 1.932 34.163 32.600 -0.615 0.000 2.359 77 M HN 0.167 nan 8.290 nan 0.000 0.459 78 P HA 0.274 nan 4.420 nan 0.000 0.272 78 P C -0.714 176.567 177.300 -0.031 0.000 1.243 78 P CA -0.126 62.980 63.100 0.012 0.000 0.803 78 P CB 0.677 32.384 31.700 0.012 0.000 0.974 79 V N -4.485 115.447 119.914 0.031 0.000 2.817 79 V HA 0.453 4.573 4.120 0.000 0.000 0.303 79 V C -3.065 173.068 176.094 0.065 0.000 1.151 79 V CA -2.527 59.766 62.300 -0.012 0.000 0.929 79 V CB 1.547 33.226 31.823 -0.240 0.000 1.030 79 V HN 0.227 nan 8.190 nan 0.000 0.427 80 P HA 0.509 nan 4.420 nan 0.000 0.279 80 P C -0.553 176.768 177.300 0.036 0.000 1.318 80 P CA 0.535 63.653 63.100 0.031 0.000 0.819 80 P CB 0.736 32.472 31.700 0.061 0.000 0.927 81 S N 2.282 118.008 115.700 0.044 0.000 2.548 81 S HA 0.402 4.872 4.470 0.000 0.000 0.278 81 S C -0.934 173.722 174.600 0.093 0.000 1.150 81 S CA -0.638 57.580 58.200 0.030 0.000 0.907 81 S CB 0.714 63.915 63.200 0.002 0.000 1.108 81 S HN 0.134 nan 8.310 nan 0.000 0.459 82 S N 4.464 120.193 115.700 0.047 0.000 2.481 82 S HA 0.253 4.723 4.470 0.000 0.000 0.276 82 S C 1.209 175.885 174.600 0.127 0.000 1.247 82 S CA -0.528 57.746 58.200 0.124 0.000 1.053 82 S CB -0.103 63.074 63.200 -0.039 0.000 0.925 82 S HN 0.778 nan 8.310 nan 0.000 0.491 83 F N 3.384 123.351 119.950 0.029 0.000 2.202 83 F HA -0.167 4.360 4.527 0.000 0.000 0.301 83 F C 1.279 177.068 175.800 -0.018 0.000 1.082 83 F CA 0.923 58.852 58.000 -0.118 0.000 1.313 83 F CB -1.716 37.154 39.000 -0.216 0.000 1.024 83 F HN 0.476 nan 8.300 nan 0.000 0.495 84 N N 0.580 118.958 118.700 -0.537 0.000 2.103 84 N HA -0.245 4.495 4.740 0.000 0.000 0.200 84 N C 0.204 175.658 175.510 -0.094 0.000 1.016 84 N CA 2.134 54.976 53.050 -0.346 0.000 0.890 84 N CB -0.496 38.040 38.487 0.082 0.000 1.075 84 N HN 0.363 nan 8.380 nan 0.000 0.506 85 D N -0.474 119.910 120.400 -0.026 0.000 3.133 85 D HA 0.197 4.837 4.640 0.000 0.000 0.288 85 D C 0.675 176.953 176.300 -0.037 0.000 1.346 85 D CA -0.002 53.983 54.000 -0.026 0.000 0.934 85 D CB 0.118 40.912 40.800 -0.010 0.000 1.042 85 D HN 0.510 nan 8.370 nan 0.000 0.506 86 I N -3.313 117.234 120.570 -0.038 0.000 4.433 86 I HA 0.165 4.335 4.170 0.000 0.000 0.322 86 I C 0.781 176.882 176.117 -0.026 0.000 1.284 86 I CA -0.206 61.069 61.300 -0.042 0.000 1.269 86 I CB 0.359 38.315 38.000 -0.073 0.000 1.219 86 I HN -0.167 nan 8.210 nan 0.000 0.436 87 S N 0.806 116.498 115.700 -0.013 0.000 2.758 87 S HA 0.455 4.925 4.470 0.000 0.000 0.292 87 S C 0.326 174.943 174.600 0.027 0.000 1.131 87 S CA -0.646 57.561 58.200 0.012 0.000 0.997 87 S CB 1.010 64.229 63.200 0.032 0.000 1.111 87 S HN 0.203 nan 8.310 nan 0.000 0.552 88 Q N 0.530 120.358 119.800 0.048 0.000 2.186 88 Q HA 0.387 4.727 4.340 0.000 0.000 0.241 88 Q C -1.088 174.982 176.000 0.117 0.000 0.849 88 Q CA -0.046 55.800 55.803 0.071 0.000 1.053 88 Q CB 0.012 28.790 28.738 0.066 0.000 1.146 88 Q HN 0.581 nan 8.270 nan 0.000 0.475 89 D N 0.137 120.593 120.400 0.093 0.000 2.217 89 D HA 0.112 4.752 4.640 0.000 0.000 0.243 89 D C 0.744 177.107 176.300 0.104 0.000 1.054 89 D CA -0.498 53.548 54.000 0.078 0.000 0.838 89 D CB 0.861 41.655 40.800 -0.009 0.000 1.162 89 D HN 0.146 nan 8.370 nan 0.000 0.472 90 W N 4.395 125.718 121.300 0.038 0.000 2.576 90 W HA 0.069 4.729 4.660 0.000 0.000 0.275 90 W C 1.229 177.798 176.519 0.083 0.000 1.241 90 W CA -0.147 57.218 57.345 0.034 0.000 1.328 90 W CB -0.581 28.952 29.460 0.122 0.000 1.092 90 W HN 0.292 nan 8.180 nan 0.000 0.586 91 R N 1.076 121.222 120.500 -0.590 0.000 2.070 91 R HA -0.130 4.210 4.340 0.000 0.000 0.232 91 R C 2.384 178.648 176.300 -0.059 0.000 1.138 91 R CA 1.697 57.495 56.100 -0.504 0.000 0.936 91 R CB -1.108 28.756 30.300 -0.727 0.000 0.839 91 R HN 0.076 nan 8.270 nan 0.000 0.429 92 L N 1.264 122.459 121.223 -0.046 0.000 2.349 92 L HA -0.134 4.206 4.340 0.000 0.000 0.220 92 L C 2.513 179.449 176.870 0.111 0.000 1.130 92 L CA 1.363 56.272 54.840 0.115 0.000 0.791 92 L CB -0.244 41.898 42.059 0.138 0.000 0.918 92 L HN 0.101 nan 8.230 nan 0.000 0.444 93 R N -1.601 118.884 120.500 -0.025 0.000 2.080 93 R HA -0.019 4.321 4.340 0.000 0.000 0.222 93 R C 0.348 176.564 176.300 -0.140 0.000 1.107 93 R CA 0.635 56.627 56.100 -0.180 0.000 0.980 93 R CB 0.132 30.230 30.300 -0.337 0.000 0.879 93 R HN 0.428 nan 8.270 nan 0.000 0.439 94 H N -0.592 118.591 119.070 0.188 0.000 2.421 94 H HA 0.112 4.668 4.556 0.000 0.000 0.241 94 H C -1.274 174.107 175.328 0.088 0.000 1.428 94 H CA -0.383 55.746 56.048 0.134 0.000 1.136 94 H CB -0.478 29.367 29.762 0.138 0.000 1.612 94 H HN 0.063 nan 8.280 nan 0.000 0.537 95 F N 1.302 121.297 119.950 0.074 0.000 2.492 95 F HA 0.534 5.061 4.527 0.000 0.000 0.327 95 F C -1.004 174.868 175.800 0.119 0.000 1.079 95 F CA -0.808 57.231 58.000 0.065 0.000 0.967 95 F CB 1.296 40.423 39.000 0.211 0.000 1.169 95 F HN -0.144 nan 8.300 nan 0.000 0.472 96 V N 4.812 124.235 119.914 -0.817 0.000 2.638 96 V HA 0.955 5.075 4.120 0.000 0.000 0.306 96 V C 0.029 175.748 176.094 -0.624 0.000 1.052 96 V CA -0.008 61.996 62.300 -0.492 0.000 0.885 96 V CB 0.646 32.394 31.823 -0.124 0.000 0.999 96 V HN 1.330 nan 8.190 nan 0.000 0.424 97 G N 2.944 111.565 108.800 -0.298 0.000 2.291 97 G HA2 0.060 4.020 3.960 0.000 0.000 0.249 97 G HA3 0.060 4.020 3.960 0.000 0.000 0.249 97 G C -2.097 172.831 174.900 0.047 0.000 1.340 97 G CA -0.766 44.318 45.100 -0.026 0.000 1.017 97 G HN 0.567 nan 8.290 nan 0.000 0.470 98 W N -0.242 121.242 121.300 0.305 0.000 2.496 98 W HA 0.686 5.346 4.660 0.000 0.000 0.327 98 W C 0.087 176.799 176.519 0.322 0.000 1.086 98 W CA -0.541 56.934 57.345 0.216 0.000 1.222 98 W CB 2.082 31.588 29.460 0.077 0.000 1.304 98 W HN 0.311 nan 8.180 nan 0.000 0.547 99 V N 2.316 122.426 119.914 0.328 0.000 2.735 99 V HA 0.423 4.543 4.120 0.000 0.000 0.310 99 V C -1.512 174.652 176.094 0.116 0.000 1.061 99 V CA -1.009 61.383 62.300 0.153 0.000 0.913 99 V CB 1.682 33.499 31.823 -0.009 0.000 1.005 99 V HN 0.510 nan 8.190 nan 0.000 0.428 100 W N 4.446 125.789 121.300 0.072 0.000 2.443 100 W HA 0.575 5.235 4.660 0.000 0.000 0.303 100 W C -0.658 176.089 176.519 0.380 0.000 0.991 100 W CA -0.500 56.984 57.345 0.232 0.000 1.522 100 W CB 0.646 30.210 29.460 0.172 0.000 1.315 100 W HN 0.420 nan 8.180 nan 0.000 0.419 101 Y N 1.871 122.418 120.300 0.411 0.000 2.301 101 Y HA 0.374 4.924 4.550 0.000 0.000 0.328 101 Y C 0.610 176.890 175.900 0.633 0.000 1.242 101 Y CA -1.279 57.110 58.100 0.481 0.000 1.323 101 Y CB 1.021 39.637 38.460 0.260 0.000 1.266 101 Y HN 0.373 nan 8.280 nan 0.000 0.527 102 E N 2.020 122.732 120.200 0.854 0.000 2.381 102 E HA 0.509 4.859 4.350 0.000 0.000 0.286 102 E C -1.767 174.986 176.600 0.254 0.000 0.960 102 E CA -0.935 55.804 56.400 0.565 0.000 0.793 102 E CB 1.660 31.592 29.700 0.387 0.000 1.225 102 E HN 0.684 nan 8.360 nan 0.000 0.420 103 R N 3.095 123.543 120.500 -0.086 0.000 2.536 103 R HA 0.274 4.615 4.340 0.000 0.000 0.269 103 R C -1.292 174.858 176.300 -0.249 0.000 1.113 103 R CA -0.567 55.300 56.100 -0.388 0.000 0.948 103 R CB 1.343 30.909 30.300 -1.223 0.000 1.237 103 R HN 0.375 nan 8.270 nan 0.000 0.441 104 E N 2.522 122.638 120.200 -0.140 0.000 2.373 104 E HA 0.391 4.741 4.350 0.000 0.000 0.263 104 E C -0.345 176.194 176.600 -0.102 0.000 1.073 104 E CA -0.537 55.821 56.400 -0.070 0.000 0.894 104 E CB 1.697 31.385 29.700 -0.020 0.000 1.008 104 E HN 0.391 nan 8.360 nan 0.000 0.420 105 V N 1.428 121.314 119.914 -0.046 0.000 3.159 105 V HA 0.485 4.605 4.120 0.000 0.000 0.308 105 V C -0.274 175.820 176.094 -0.001 0.000 1.190 105 V CA -0.891 61.389 62.300 -0.034 0.000 1.037 105 V CB 2.282 34.099 31.823 -0.011 0.000 1.060 105 V HN 0.540 nan 8.190 nan 0.000 0.437 106 I N 3.101 123.666 120.570 -0.010 0.000 2.447 106 I HA 0.426 4.596 4.170 0.000 0.000 0.287 106 I C -1.347 174.750 176.117 -0.034 0.000 1.023 106 I CA -0.534 60.760 61.300 -0.011 0.000 1.083 106 I CB 1.704 39.687 38.000 -0.028 0.000 1.245 106 I HN 0.318 nan 8.210 nan 0.000 0.434 107 L N 7.939 129.168 121.223 0.011 0.000 2.331 107 L HA 0.621 4.961 4.340 0.000 0.000 0.275 107 L C -2.161 174.664 176.870 -0.075 0.000 1.022 107 L CA -1.934 52.887 54.840 -0.032 0.000 0.812 107 L CB 0.651 42.913 42.059 0.337 0.000 1.257 107 L HN 0.305 nan 8.230 nan 0.000 0.435 108 P HA 0.061 nan 4.420 nan 0.000 0.270 108 P C 0.428 177.773 177.300 0.074 0.000 1.223 108 P CA -0.270 62.755 63.100 -0.126 0.000 0.785 108 P CB 0.753 32.292 31.700 -0.269 0.000 0.923 109 E N 1.421 121.654 120.200 0.054 0.000 2.118 109 E HA -0.229 4.121 4.350 0.000 0.000 0.195 109 E C 1.757 178.435 176.600 0.130 0.000 0.992 109 E CA 0.705 57.154 56.400 0.082 0.000 0.804 109 E CB -0.339 29.389 29.700 0.047 0.000 0.741 109 E HN 0.160 nan 8.360 nan 0.000 0.458 110 R N 0.438 121.025 120.500 0.145 0.000 2.127 110 R HA -0.073 4.267 4.340 0.000 0.000 0.238 110 R C 1.586 178.102 176.300 0.360 0.000 1.134 110 R CA 1.154 57.378 56.100 0.206 0.000 0.975 110 R CB -0.630 29.791 30.300 0.202 0.000 0.865 110 R HN 0.533 nan 8.270 nan 0.000 0.447 111 W N 0.632 121.934 121.300 0.004 0.000 2.848 111 W HA -0.095 4.565 4.660 0.000 0.000 0.241 111 W C 0.370 176.892 176.519 0.005 0.000 1.289 111 W CA 0.381 57.730 57.345 0.006 0.000 1.396 111 W CB 0.481 29.949 29.460 0.014 0.000 1.138 111 W HN 0.121 nan 8.180 nan 0.000 0.677 112 T N -1.975 112.702 114.554 0.205 0.000 2.232 112 T HA -0.024 4.326 4.350 0.000 0.000 0.164 112 T C 0.760 175.499 174.700 0.066 0.000 0.764 112 T CA -0.310 61.853 62.100 0.105 0.000 0.938 112 T CB 0.080 69.012 68.868 0.107 0.000 2.863 112 T HN -0.358 nan 8.240 nan 0.000 0.384 113 Q N 1.401 121.237 119.800 0.059 0.000 2.440 113 Q HA -0.245 4.095 4.340 0.000 0.000 0.228 113 Q C 0.547 176.564 176.000 0.029 0.000 1.100 113 Q CA 2.334 58.161 55.803 0.041 0.000 0.991 113 Q CB -0.949 27.816 28.738 0.045 0.000 1.027 113 Q HN 0.573 nan 8.270 nan 0.000 0.528 114 D N 0.421 120.842 120.400 0.035 0.000 2.479 114 D HA -0.001 4.639 4.640 0.000 0.000 0.253 114 D C -0.723 175.576 176.300 -0.002 0.000 1.278 114 D CA 0.162 54.174 54.000 0.019 0.000 1.145 114 D CB -0.620 40.197 40.800 0.028 0.000 1.118 114 D HN 0.239 nan 8.370 nan 0.000 0.513 115 L N 3.985 125.203 121.223 -0.008 0.000 2.678 115 L HA 0.111 4.451 4.340 0.000 0.000 0.276 115 L C 1.670 178.517 176.870 -0.037 0.000 1.142 115 L CA 0.209 55.034 54.840 -0.025 0.000 0.961 115 L CB -0.091 41.957 42.059 -0.019 0.000 1.291 115 L HN 0.435 nan 8.230 nan 0.000 0.476 116 R N 0.616 121.080 120.500 -0.060 0.000 2.305 116 R HA -0.035 4.305 4.340 0.000 0.000 0.040 116 R C 0.333 176.567 176.300 -0.110 0.000 0.818 116 R CA 0.688 56.746 56.100 -0.070 0.000 3.145 116 R CB 0.100 30.375 30.300 -0.042 0.000 1.118 116 R HN 0.632 nan 8.270 nan 0.000 0.538 117 T N -0.304 114.178 114.554 -0.119 0.000 2.899 117 T HA 0.556 4.906 4.350 0.000 0.000 0.284 117 T C -0.018 174.543 174.700 -0.233 0.000 1.004 117 T CA -0.624 61.365 62.100 -0.185 0.000 1.043 117 T CB 1.675 70.429 68.868 -0.190 0.000 1.013 117 T HN 0.147 nan 8.240 nan 0.000 0.518 118 R N 0.404 120.724 120.500 -0.301 0.000 2.637 118 R HA 0.619 4.959 4.340 0.000 0.000 0.291 118 R C -1.294 174.803 176.300 -0.338 0.000 0.963 118 R CA -0.925 55.005 56.100 -0.284 0.000 0.901 118 R CB 2.259 32.385 30.300 -0.290 0.000 1.160 118 R HN 0.490 nan 8.270 nan 0.000 0.457 119 V N 3.669 123.428 119.914 -0.258 0.000 2.266 119 V HA 0.119 4.239 4.120 0.000 0.000 0.266 119 V C -0.349 175.692 176.094 -0.088 0.000 1.036 119 V CA -0.578 61.566 62.300 -0.261 0.000 0.828 119 V CB 1.349 32.997 31.823 -0.290 0.000 1.081 119 V HN 0.472 nan 8.190 nan 0.000 0.449 120 V N 6.740 126.635 119.914 -0.031 0.000 2.461 120 V HA 0.439 4.559 4.120 0.000 0.000 0.275 120 V C 0.003 176.148 176.094 0.086 0.000 1.047 120 V CA -0.410 61.925 62.300 0.059 0.000 0.955 120 V CB 1.453 33.352 31.823 0.126 0.000 0.988 120 V HN 0.664 nan 8.190 nan 0.000 0.471 121 L N 7.829 129.093 121.223 0.069 0.000 2.395 121 L HA 0.474 4.814 4.340 0.000 0.000 0.268 121 L C 0.280 177.146 176.870 -0.006 0.000 1.223 121 L CA 0.071 54.946 54.840 0.057 0.000 1.093 121 L CB -0.078 42.019 42.059 0.063 0.000 1.349 121 L HN 0.833 nan 8.230 nan 0.000 0.427 122 R N 4.682 125.180 120.500 -0.004 0.000 2.340 122 R HA 0.486 4.826 4.340 0.000 0.000 0.300 122 R C -1.059 175.129 176.300 -0.185 0.000 1.069 122 R CA -0.168 55.881 56.100 -0.085 0.000 0.984 122 R CB 0.462 30.738 30.300 -0.040 0.000 1.003 122 R HN 0.496 nan 8.270 nan 0.000 0.459 123 I N 5.556 125.885 120.570 -0.402 0.000 2.420 123 I HA 0.251 4.421 4.170 0.000 0.000 0.282 123 I C 1.329 177.214 176.117 -0.386 0.000 1.019 123 I CA -0.629 60.363 61.300 -0.515 0.000 1.130 123 I CB 0.687 38.083 38.000 -1.008 0.000 1.262 123 I HN 0.959 nan 8.210 nan 0.000 0.454 124 G N 5.172 113.855 108.800 -0.194 0.000 2.556 124 G HA2 -0.151 3.809 3.960 0.000 0.000 0.220 124 G HA3 -0.151 3.809 3.960 0.000 0.000 0.220 124 G C 0.544 175.396 174.900 -0.080 0.000 1.156 124 G CA 0.901 45.931 45.100 -0.116 0.000 0.766 124 G HN 0.583 nan 8.290 nan 0.000 0.583 125 S N -3.141 112.508 115.700 -0.085 0.000 2.636 125 S HA 0.719 5.189 4.470 0.000 0.000 0.266 125 S C -0.425 174.169 174.600 -0.011 0.000 1.147 125 S CA -0.137 58.051 58.200 -0.020 0.000 0.815 125 S CB 1.386 64.546 63.200 -0.066 0.000 1.119 125 S HN 1.402 nan 8.310 nan 0.000 0.470 126 A N 0.066 122.860 122.820 -0.044 0.000 3.287 126 A HA 0.744 5.064 4.320 0.000 0.000 0.299 126 A C -1.087 176.453 177.584 -0.072 0.000 1.086 126 A CA -0.273 51.731 52.037 -0.056 0.000 0.586 126 A CB -0.033 18.984 19.000 0.028 0.000 1.539 126 A HN 0.780 nan 8.150 nan 0.000 0.694 127 H N -0.462 118.494 119.070 -0.191 0.000 3.507 127 H HA 0.558 5.114 4.556 0.000 0.000 0.166 127 H C 1.880 177.071 175.328 -0.229 0.000 1.583 127 H CA 0.892 56.818 56.048 -0.204 0.000 1.663 127 H CB 0.408 30.114 29.762 -0.094 0.000 0.934 127 H HN 0.408 nan 8.280 nan 0.000 0.872 128 S N -0.964 114.447 115.700 -0.482 0.000 2.400 128 S HA -0.097 4.373 4.470 0.000 0.000 0.232 128 S C -0.477 173.992 174.600 -0.218 0.000 1.025 128 S CA 1.428 59.409 58.200 -0.365 0.000 0.993 128 S CB -0.107 62.943 63.200 -0.250 0.000 0.808 128 S HN 0.433 nan 8.310 nan 0.000 0.478 129 Y N -0.716 119.420 120.300 -0.274 0.000 2.390 129 Y HA 0.527 5.077 4.550 0.000 0.000 0.324 129 Y C -1.062 174.735 175.900 -0.172 0.000 1.151 129 Y CA -1.157 56.809 58.100 -0.225 0.000 1.053 129 Y CB 0.967 39.287 38.460 -0.234 0.000 1.277 129 Y HN -0.026 nan 8.280 nan 0.000 0.432 130 A N 6.115 128.878 122.820 -0.095 0.000 2.371 130 A HA 0.832 5.152 4.320 0.000 0.000 0.311 130 A C -1.607 176.055 177.584 0.129 0.000 1.068 130 A CA -0.630 51.447 52.037 0.067 0.000 0.744 130 A CB 0.920 19.955 19.000 0.058 0.000 1.239 130 A HN 0.638 nan 8.150 nan 0.000 0.435 131 I N 3.187 123.811 120.570 0.089 0.000 2.420 131 I HA 0.250 4.420 4.170 0.000 0.000 0.282 131 I C -0.794 175.045 176.117 -0.464 0.000 1.019 131 I CA -0.713 60.452 61.300 -0.225 0.000 1.130 131 I CB 1.803 39.569 38.000 -0.390 0.000 1.262 131 I HN 0.340 nan 8.210 nan 0.000 0.454 132 V N 6.000 125.731 119.914 -0.304 0.000 2.368 132 V HA 0.195 4.315 4.120 0.000 0.000 0.266 132 V C -0.631 175.336 176.094 -0.211 0.000 1.045 132 V CA -0.431 61.762 62.300 -0.178 0.000 0.899 132 V CB -0.004 31.824 31.823 0.008 0.000 1.006 132 V HN 0.537 nan 8.190 nan 0.000 0.470 133 W N 4.159 125.590 121.300 0.217 0.000 2.417 133 W HA 0.746 5.406 4.660 0.000 0.000 0.317 133 W C 0.223 176.874 176.519 0.220 0.000 1.121 133 W CA -0.366 57.128 57.345 0.248 0.000 1.208 133 W CB 1.365 31.041 29.460 0.362 0.000 1.253 133 W HN 0.478 nan 8.180 nan 0.000 0.533 134 V N 1.980 122.140 119.914 0.410 0.000 3.918 134 V HA -0.009 4.111 4.120 0.000 0.000 0.336 134 V C 1.055 177.282 176.094 0.221 0.000 1.966 134 V CA 0.509 62.972 62.300 0.271 0.000 0.937 134 V CB -0.005 31.947 31.823 0.215 0.000 0.804 134 V HN 0.813 nan 8.190 nan 0.000 0.463 135 N N -0.123 118.674 118.700 0.162 0.000 1.977 135 N HA -0.306 4.434 4.740 0.000 0.000 0.143 135 N C 1.050 176.635 175.510 0.125 0.000 0.258 135 N CA 4.052 57.179 53.050 0.129 0.000 1.439 135 N CB -1.580 36.982 38.487 0.125 0.000 1.267 135 N HN 1.359 nan 8.380 nan 0.000 0.420 136 G N -2.081 106.807 108.800 0.147 0.000 2.815 136 G HA2 0.476 4.436 3.960 0.000 0.000 0.215 136 G HA3 0.476 4.436 3.960 0.000 0.000 0.215 136 G C 0.664 175.671 174.900 0.179 0.000 1.054 136 G CA 1.023 46.203 45.100 0.132 0.000 0.832 136 G HN 0.967 nan 8.290 nan 0.000 0.557 137 V N -0.466 119.608 119.914 0.267 0.000 5.549 137 V HA -0.019 4.101 4.120 0.000 0.000 0.070 137 V C -1.197 175.243 176.094 0.577 0.000 1.026 137 V CA 0.498 63.062 62.300 0.440 0.000 2.136 137 V CB -0.766 31.284 31.823 0.379 0.000 0.645 137 V HN 0.133 nan 8.190 nan 0.000 0.644 138 D N 2.098 122.874 120.400 0.626 0.000 2.520 138 D HA 0.452 5.092 4.640 0.000 0.000 0.243 138 D C 0.582 177.010 176.300 0.213 0.000 1.160 138 D CA 1.512 55.751 54.000 0.399 0.000 0.877 138 D CB 1.420 42.420 40.800 0.334 0.000 1.150 138 D HN 0.655 nan 8.370 nan 0.000 0.494 139 T N 0.917 115.537 114.554 0.110 0.000 3.177 139 T HA 0.176 4.526 4.350 0.000 0.000 0.262 139 T C -0.274 174.467 174.700 0.068 0.000 0.959 139 T CA -0.194 61.966 62.100 0.101 0.000 0.996 139 T CB 0.301 69.239 68.868 0.117 0.000 1.185 139 T HN 0.205 nan 8.240 nan 0.000 0.486 140 L N 1.198 122.444 121.223 0.038 0.000 2.434 140 L HA 0.671 5.011 4.340 0.000 0.000 0.260 140 L C -2.005 174.891 176.870 0.043 0.000 0.983 140 L CA -0.393 54.496 54.840 0.081 0.000 0.820 140 L CB 2.336 44.484 42.059 0.148 0.000 1.361 140 L HN -0.025 nan 8.230 nan 0.000 0.410 141 E N 2.054 122.288 120.200 0.056 0.000 2.331 141 E HA 0.421 4.771 4.350 0.000 0.000 0.275 141 E C -1.885 174.619 176.600 -0.160 0.000 0.895 141 E CA -0.789 55.605 56.400 -0.010 0.000 0.753 141 E CB 2.510 32.228 29.700 0.031 0.000 1.216 141 E HN 0.744 nan 8.360 nan 0.000 0.434 142 H N 0.807 119.533 119.070 -0.575 0.000 2.974 142 H HA 0.177 4.733 4.556 0.000 0.000 0.366 142 H C -1.429 173.188 175.328 -1.187 0.000 1.155 142 H CA -0.690 54.815 56.048 -0.905 0.000 1.186 142 H CB 1.470 30.282 29.762 -1.582 0.000 1.799 142 H HN 0.474 nan 8.280 nan 0.000 0.541 143 E N 4.050 123.638 120.200 -1.020 0.000 2.114 143 E HA 0.447 4.797 4.350 0.000 0.000 0.266 143 E C 0.429 176.824 176.600 -0.341 0.000 0.896 143 E CA -0.719 55.184 56.400 -0.827 0.000 0.750 143 E CB 1.555 30.876 29.700 -0.631 0.000 1.121 143 E HN 0.929 nan 8.360 nan 0.000 0.413 144 G N 2.821 111.445 108.800 -0.293 0.000 2.834 144 G HA2 0.075 4.035 3.960 0.000 0.000 0.931 144 G HA3 0.075 4.035 3.960 0.000 0.000 0.931 144 G C 0.565 175.338 174.900 -0.213 0.000 1.388 144 G CA 0.204 45.142 45.100 -0.271 0.000 0.964 144 G HN 1.543 nan 8.290 nan 0.000 0.545 145 G N -2.812 105.772 108.800 -0.359 0.000 2.462 145 G HA2 0.302 4.262 3.960 0.000 0.000 0.685 145 G HA3 0.302 4.262 3.960 0.000 0.000 0.685 145 G C -0.554 174.000 174.900 -0.578 0.000 1.295 145 G CA 0.177 45.106 45.100 -0.285 0.000 0.941 145 G HN 1.522 nan 8.290 nan 0.000 0.554 146 Y N 0.249 120.545 120.300 -0.007 0.000 2.813 146 Y HA 0.642 5.192 4.550 0.000 0.000 0.378 146 Y C 0.861 176.782 175.900 0.036 0.000 1.023 146 Y CA -0.372 57.741 58.100 0.022 0.000 1.567 146 Y CB 0.197 38.713 38.460 0.093 0.000 1.492 146 Y HN 0.454 nan 8.280 nan 0.000 0.533 147 L N 2.195 123.396 121.223 -0.036 0.000 2.393 147 L HA 0.625 4.965 4.340 0.000 0.000 0.260 147 L C -2.583 174.250 176.870 -0.061 0.000 1.002 147 L CA -2.226 52.608 54.840 -0.010 0.000 0.818 147 L CB 3.088 45.163 42.059 0.027 0.000 1.369 147 L HN -0.040 nan 8.230 nan 0.000 0.412 148 P HA 0.490 nan 4.420 nan 0.000 0.281 148 P C -1.549 175.939 177.300 0.313 0.000 1.264 148 P CA -0.365 62.822 63.100 0.146 0.000 0.824 148 P CB 1.322 33.058 31.700 0.061 0.000 1.092 149 F N -2.201 117.674 119.950 -0.126 0.000 2.622 149 F HA 0.487 5.014 4.527 0.000 0.000 0.318 149 F C -0.669 175.134 175.800 0.004 0.000 1.135 149 F CA -1.438 56.548 58.000 -0.023 0.000 1.015 149 F CB 0.721 39.744 39.000 0.038 0.000 1.275 149 F HN 0.328 nan 8.300 nan 0.000 0.457 150 E N 2.614 122.868 120.200 0.090 0.000 2.222 150 E HA 0.911 5.261 4.350 0.000 0.000 0.267 150 E C -1.284 175.364 176.600 0.080 0.000 0.963 150 E CA -1.252 55.169 56.400 0.035 0.000 0.837 150 E CB 2.540 32.282 29.700 0.070 0.000 1.183 150 E HN 0.968 nan 8.360 nan 0.000 0.403 151 A N 1.668 124.525 122.820 0.063 0.000 2.437 151 A HA 0.452 4.772 4.320 0.000 0.000 0.292 151 A C -0.343 177.286 177.584 0.075 0.000 1.173 151 A CA -0.112 51.971 52.037 0.077 0.000 0.785 151 A CB 0.684 19.726 19.000 0.070 0.000 1.351 151 A HN 1.066 nan 8.150 nan 0.000 0.431 152 D N -1.075 119.368 120.400 0.072 0.000 4.324 152 D HA -0.279 4.361 4.640 0.000 0.000 0.291 152 D C 0.544 176.873 176.300 0.047 0.000 2.381 152 D CA 1.993 56.027 54.000 0.058 0.000 0.991 152 D CB -0.483 40.350 40.800 0.054 0.000 1.083 152 D HN 1.158 nan 8.370 nan 0.000 1.235 153 I N -4.927 115.652 120.570 0.015 0.000 4.197 153 I HA 0.206 4.377 4.170 0.000 0.000 0.307 153 I C 0.102 176.176 176.117 -0.072 0.000 1.236 153 I CA 0.436 61.721 61.300 -0.024 0.000 1.321 153 I CB 0.431 38.404 38.000 -0.046 0.000 1.309 153 I HN 0.653 nan 8.210 nan 0.000 0.450 154 S N 2.312 117.981 115.700 -0.052 0.000 3.643 154 S HA 0.028 4.498 4.470 0.000 0.000 0.118 154 S C -0.346 174.234 174.600 -0.034 0.000 0.816 154 S CA -0.245 57.913 58.200 -0.070 0.000 0.789 154 S CB -1.850 61.277 63.200 -0.121 0.000 1.279 154 S HN 0.729 nan 8.310 nan 0.000 0.643 155 N N 1.171 119.870 118.700 -0.002 0.000 2.082 155 N HA 0.021 4.761 4.740 0.000 0.000 0.228 155 N C 0.357 175.886 175.510 0.032 0.000 1.341 155 N CA -0.512 52.546 53.050 0.013 0.000 0.873 155 N CB 0.159 38.658 38.487 0.021 0.000 1.137 155 N HN 0.662 nan 8.380 nan 0.000 0.505 156 L N 3.024 124.271 121.223 0.039 0.000 3.732 156 L HA -0.166 4.174 4.340 0.000 0.000 0.403 156 L C 0.607 177.515 176.870 0.062 0.000 0.868 156 L CA 0.447 55.324 54.840 0.061 0.000 0.876 156 L CB -0.969 41.131 42.059 0.069 0.000 1.435 156 L HN 0.147 nan 8.230 nan 0.000 0.688 157 V N 4.801 124.755 119.914 0.066 0.000 5.633 157 V HA -0.390 3.730 4.120 0.000 0.000 0.145 157 V C 1.709 177.831 176.094 0.047 0.000 0.731 157 V CA 1.460 63.795 62.300 0.059 0.000 0.520 157 V CB -0.526 31.336 31.823 0.065 0.000 0.164 157 V HN 1.099 nan 8.190 nan 0.000 0.360 158 Q N 2.544 122.368 119.800 0.040 0.000 1.967 158 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 158 Q C 2.026 178.043 176.000 0.029 0.000 0.985 158 Q CA 2.620 58.444 55.803 0.033 0.000 0.839 158 Q CB -0.307 28.447 28.738 0.026 0.000 0.906 158 Q HN 0.932 nan 8.270 nan 0.000 0.423 159 V N -1.003 118.927 119.914 0.026 0.000 2.479 159 V HA -0.383 3.737 4.120 0.000 0.000 0.219 159 V C 0.758 176.864 176.094 0.020 0.000 1.028 159 V CA 2.458 64.771 62.300 0.022 0.000 1.079 159 V CB -0.727 31.109 31.823 0.022 0.000 0.999 159 V HN 0.644 nan 8.190 nan 0.000 0.480 160 G N -0.675 108.138 108.800 0.022 0.000 3.714 160 G HA2 0.434 4.394 3.960 0.000 0.000 0.259 160 G HA3 0.434 4.394 3.960 0.000 0.000 0.259 160 G C -1.489 173.423 174.900 0.021 0.000 3.894 160 G CA 0.358 45.469 45.100 0.020 0.000 0.498 160 G HN 0.605 nan 8.290 nan 0.000 0.258 161 P HA 0.216 nan 4.420 nan 0.000 0.261 161 P C 1.688 179.003 177.300 0.024 0.000 1.268 161 P CA -0.135 62.981 63.100 0.027 0.000 0.833 161 P CB 0.790 32.512 31.700 0.036 0.000 1.231 162 L N -2.000 119.236 121.223 0.022 0.000 4.244 162 L HA -0.282 4.058 4.340 0.000 0.000 0.053 162 L C -0.882 176.001 176.870 0.021 0.000 3.875 162 L CA 2.114 56.965 54.840 0.019 0.000 1.095 162 L CB -3.106 38.962 42.059 0.015 0.000 3.276 162 L HN 0.047 nan 8.230 nan 0.000 0.889 163 P HA 0.053 nan 4.420 nan 0.000 0.224 163 P C -0.236 177.079 177.300 0.025 0.000 1.157 163 P CA 1.364 64.475 63.100 0.018 0.000 0.799 163 P CB 0.354 32.061 31.700 0.012 0.000 0.809 164 S N -0.539 115.178 115.700 0.029 0.000 3.225 164 S HA -0.115 4.355 4.470 0.000 0.000 0.812 164 S C -0.344 174.278 174.600 0.036 0.000 0.610 164 S CA -0.603 57.621 58.200 0.039 0.000 1.518 164 S CB -1.281 61.951 63.200 0.053 0.000 1.023 164 S HN 0.315 nan 8.310 nan 0.000 0.891 165 R N 4.424 124.946 120.500 0.036 0.000 2.287 165 R HA 0.452 4.792 4.340 0.000 0.000 0.316 165 R C -0.305 176.021 176.300 0.043 0.000 1.050 165 R CA -0.893 55.227 56.100 0.033 0.000 0.983 165 R CB 0.457 30.775 30.300 0.030 0.000 1.140 165 R HN 0.555 nan 8.270 nan 0.000 0.528 166 L N 5.362 126.613 121.223 0.047 0.000 2.448 166 L HA 0.162 4.502 4.340 0.000 0.000 0.278 166 L C 0.223 177.124 176.870 0.051 0.000 1.201 166 L CA 0.411 55.287 54.840 0.060 0.000 1.036 166 L CB -0.092 42.012 42.059 0.075 0.000 1.325 166 L HN 0.491 nan 8.230 nan 0.000 0.441 167 R N 5.380 125.920 120.500 0.066 0.000 2.893 167 R HA 0.233 4.573 4.340 0.000 0.000 0.243 167 R C -0.232 176.144 176.300 0.127 0.000 1.481 167 R CA -0.174 55.972 56.100 0.076 0.000 1.250 167 R CB -0.246 30.099 30.300 0.075 0.000 1.213 167 R HN 0.744 nan 8.270 nan 0.000 0.609 168 I N 3.407 124.047 120.570 0.116 0.000 2.371 168 I HA 0.195 4.365 4.170 0.000 0.000 0.290 168 I C -0.498 175.812 176.117 0.322 0.000 1.028 168 I CA 0.079 61.502 61.300 0.207 0.000 1.345 168 I CB 1.289 39.392 38.000 0.171 0.000 1.407 168 I HN 0.593 nan 8.210 nan 0.000 0.501 169 T N 7.113 121.946 114.554 0.465 0.000 2.893 169 T HA 0.668 5.018 4.350 0.000 0.000 0.291 169 T C -0.678 174.405 174.700 0.639 0.000 1.028 169 T CA -0.626 61.846 62.100 0.619 0.000 0.995 169 T CB 1.325 70.590 68.868 0.660 0.000 1.051 169 T HN 0.507 nan 8.240 nan 0.000 0.470 170 I N 1.657 122.574 120.570 0.578 0.000 2.934 170 I HA 0.777 4.947 4.170 0.000 0.000 0.306 170 I C -0.560 175.624 176.117 0.112 0.000 1.110 170 I CA -1.617 59.850 61.300 0.279 0.000 1.019 170 I CB 2.286 40.394 38.000 0.180 0.000 1.227 170 I HN 0.917 nan 8.210 nan 0.000 0.434 171 A N 5.238 127.957 122.820 -0.169 0.000 2.437 171 A HA 0.780 5.100 4.320 0.000 0.000 0.293 171 A C -1.069 176.552 177.584 0.062 0.000 1.038 171 A CA -0.451 51.332 52.037 -0.423 0.000 0.708 171 A CB 1.645 19.869 19.000 -1.293 0.000 1.251 171 A HN 0.592 nan 8.150 nan 0.000 0.409 172 I N 0.110 120.713 120.570 0.054 0.000 2.545 172 I HA 0.592 4.762 4.170 0.000 0.000 0.292 172 I C -1.085 174.930 176.117 -0.170 0.000 1.040 172 I CA -0.804 60.492 61.300 -0.008 0.000 1.068 172 I CB 1.811 39.788 38.000 -0.037 0.000 1.251 172 I HN 0.545 nan 8.210 nan 0.000 0.424 173 N N 3.989 122.396 118.700 -0.490 0.000 2.487 173 N HA 0.318 5.058 4.740 0.000 0.000 0.292 173 N C 0.306 175.730 175.510 -0.144 0.000 1.108 173 N CA -0.268 52.401 53.050 -0.634 0.000 0.956 173 N CB 1.452 39.240 38.487 -1.164 0.000 1.176 173 N HN 0.762 nan 8.380 nan 0.000 0.484 174 N N -0.279 118.420 118.700 -0.002 0.000 2.294 174 N HA 0.011 4.751 4.740 0.000 0.000 0.186 174 N C -0.460 175.137 175.510 0.145 0.000 1.107 174 N CA 0.035 53.263 53.050 0.298 0.000 0.884 174 N CB -0.551 38.094 38.487 0.264 0.000 1.030 174 N HN 0.301 nan 8.380 nan 0.000 0.482 175 T N 2.406 116.956 114.554 -0.007 0.000 2.831 175 T HA 0.120 4.470 4.350 0.000 0.000 0.291 175 T C 0.304 174.994 174.700 -0.016 0.000 0.981 175 T CA 0.097 62.192 62.100 -0.009 0.000 1.174 175 T CB 0.275 69.123 68.868 -0.034 0.000 0.929 175 T HN 0.130 nan 8.240 nan 0.000 0.532 176 L N 4.212 125.443 121.223 0.013 0.000 2.325 176 L HA 0.612 4.952 4.340 0.000 0.000 0.279 176 L C 0.927 177.796 176.870 -0.001 0.000 1.054 176 L CA -0.709 54.125 54.840 -0.009 0.000 0.804 176 L CB 1.261 43.345 42.059 0.042 0.000 1.200 176 L HN 0.788 nan 8.230 nan 0.000 0.436 177 T N -1.727 112.805 114.554 -0.037 0.000 2.864 177 T HA 0.387 4.737 4.350 0.000 0.000 0.299 177 T C -2.320 172.321 174.700 -0.099 0.000 1.166 177 T CA -1.734 60.361 62.100 -0.008 0.000 1.007 177 T CB 2.013 70.895 68.868 0.024 0.000 1.219 177 T HN 0.341 nan 8.240 nan 0.000 0.506 178 P HA -0.071 nan 4.420 nan 0.000 0.227 178 P C 1.033 178.290 177.300 -0.070 0.000 1.145 178 P CA 0.962 64.000 63.100 -0.104 0.000 0.769 178 P CB -0.371 31.563 31.700 0.390 0.000 0.769 179 T N -1.674 112.868 114.554 -0.019 0.000 3.051 179 T HA 0.002 4.352 4.350 0.000 0.000 0.255 179 T C 1.216 175.908 174.700 -0.013 0.000 1.085 179 T CA 0.807 62.937 62.100 0.049 0.000 1.109 179 T CB -0.458 68.474 68.868 0.105 0.000 0.921 179 T HN 0.346 nan 8.240 nan 0.000 0.488 180 T N 0.463 114.943 114.554 -0.123 0.000 2.732 180 T HA 0.574 4.924 4.350 0.000 0.000 0.287 180 T C -0.237 174.258 174.700 -0.341 0.000 0.993 180 T CA -0.690 61.275 62.100 -0.226 0.000 0.966 180 T CB 0.613 69.380 68.868 -0.167 0.000 1.047 180 T HN 0.089 nan 8.240 nan 0.000 0.527 181 L N 1.669 122.686 121.223 -0.344 0.000 2.573 181 L HA 0.355 4.695 4.340 0.000 0.000 0.260 181 L C -2.694 174.077 176.870 -0.166 0.000 0.997 181 L CA -1.979 52.694 54.840 -0.279 0.000 0.890 181 L CB 2.290 44.131 42.059 -0.364 0.000 1.179 181 L HN 0.580 nan 8.230 nan 0.000 0.439 182 P HA 0.184 nan 4.420 nan 0.000 0.268 182 P C -2.454 174.706 177.300 -0.233 0.000 1.205 182 P CA -0.868 62.079 63.100 -0.256 0.000 0.771 182 P CB 0.145 31.487 31.700 -0.597 0.000 0.858 183 P HA 0.404 nan 4.420 nan 0.000 0.277 183 P C -0.069 177.053 177.300 -0.297 0.000 1.276 183 P CA -0.051 62.736 63.100 -0.521 0.000 0.788 183 P CB 0.649 31.576 31.700 -1.289 0.000 1.114 184 G N -1.808 106.823 108.800 -0.281 0.000 2.608 184 G HA2 0.589 4.549 3.960 0.000 0.000 0.291 184 G HA3 0.589 4.549 3.960 0.000 0.000 0.291 184 G C -1.873 173.137 174.900 0.184 0.000 1.425 184 G CA -0.436 44.698 45.100 0.057 0.000 0.787 184 G HN 0.387 nan 8.290 nan 0.000 0.484 185 T N 1.126 115.835 114.554 0.258 0.000 3.109 185 T HA 0.411 4.761 4.350 0.000 0.000 0.311 185 T C -0.482 174.324 174.700 0.176 0.000 1.011 185 T CA -0.383 61.889 62.100 0.285 0.000 1.026 185 T CB 1.108 70.237 68.868 0.434 0.000 1.047 185 T HN 0.398 nan 8.240 nan 0.000 0.448 186 I N 3.531 124.194 120.570 0.155 0.000 2.472 186 I HA 0.348 4.518 4.170 0.000 0.000 0.290 186 I C 0.406 176.618 176.117 0.158 0.000 1.016 186 I CA -0.280 61.096 61.300 0.126 0.000 1.348 186 I CB 1.329 39.402 38.000 0.122 0.000 1.417 186 I HN 0.644 nan 8.210 nan 0.000 0.521 187 Q N 7.143 127.014 119.800 0.120 0.000 2.414 187 Q HA 0.222 4.562 4.340 0.000 0.000 0.256 187 Q C -2.017 174.063 176.000 0.134 0.000 0.974 187 Q CA -0.601 55.294 55.803 0.153 0.000 0.723 187 Q CB 1.134 29.940 28.738 0.113 0.000 1.281 187 Q HN 0.456 nan 8.270 nan 0.000 0.470 188 Y N 3.477 123.841 120.300 0.106 0.000 2.402 188 Y HA 0.086 4.636 4.550 0.000 0.000 0.333 188 Y C 1.099 177.067 175.900 0.113 0.000 1.076 188 Y CA 0.354 58.533 58.100 0.132 0.000 1.299 188 Y CB 0.971 39.487 38.460 0.093 0.000 1.197 188 Y HN 0.642 nan 8.280 nan 0.000 0.517 189 L N 1.379 122.743 121.223 0.235 0.000 2.362 189 L HA 0.043 4.383 4.340 0.000 0.000 0.204 189 L C 0.844 177.854 176.870 0.234 0.000 1.060 189 L CA 0.682 55.596 54.840 0.124 0.000 0.827 189 L CB -0.326 41.537 42.059 -0.328 0.000 1.027 189 L HN 0.962 nan 8.230 nan 0.000 0.474 190 T N -1.834 112.912 114.554 0.320 0.000 0.541 190 T HA -0.316 4.034 4.350 0.000 0.000 0.774 190 T C -0.065 174.819 174.700 0.307 0.000 0.992 190 T CA 0.128 62.423 62.100 0.326 0.000 4.077 190 T CB -1.042 67.989 68.868 0.271 0.000 2.303 190 T HN 0.281 nan 8.240 nan 0.000 0.398 191 D N 0.811 121.357 120.400 0.242 0.000 2.487 191 D HA 0.337 4.977 4.640 0.000 0.000 0.243 191 D C 0.712 177.120 176.300 0.181 0.000 1.154 191 D CA 0.900 55.017 54.000 0.194 0.000 0.876 191 D CB 0.159 41.042 40.800 0.138 0.000 1.161 191 D HN 0.709 nan 8.370 nan 0.000 0.478 192 T N 1.514 116.169 114.554 0.169 0.000 3.714 192 T HA 0.193 4.543 4.350 0.000 0.000 0.309 192 T C 0.774 175.490 174.700 0.027 0.000 0.958 192 T CA 0.182 62.361 62.100 0.132 0.000 1.010 192 T CB -0.072 68.940 68.868 0.240 0.000 1.202 192 T HN 0.427 nan 8.240 nan 0.000 0.476 193 S N 1.078 116.783 115.700 0.008 0.000 1.537 193 S HA -0.274 4.196 4.470 0.000 0.000 0.241 193 S C 1.551 176.083 174.600 -0.113 0.000 0.763 193 S CA 1.749 59.927 58.200 -0.037 0.000 1.304 193 S CB -0.874 62.303 63.200 -0.037 0.000 1.584 193 S HN 0.565 nan 8.310 nan 0.000 0.514 194 K N 0.550 120.805 120.400 -0.241 0.000 2.098 194 K HA 0.164 4.484 4.320 0.000 0.000 0.203 194 K C 0.342 176.594 176.600 -0.580 0.000 1.051 194 K CA 1.108 57.091 56.287 -0.507 0.000 0.957 194 K CB -0.007 31.946 32.500 -0.911 0.000 0.738 194 K HN 0.499 nan 8.250 nan 0.000 0.447 195 Y N 1.103 121.333 120.300 -0.116 0.000 2.488 195 Y HA 0.266 4.816 4.550 0.000 0.000 0.325 195 Y C -2.103 173.776 175.900 -0.036 0.000 1.204 195 Y CA -3.369 54.619 58.100 -0.186 0.000 1.229 195 Y CB 0.054 38.334 38.460 -0.300 0.000 1.274 195 Y HN -0.061 nan 8.280 nan 0.000 0.493 196 P HA -0.017 nan 4.420 nan 0.000 0.274 196 P C 0.536 177.979 177.300 0.238 0.000 1.260 196 P CA -0.312 62.909 63.100 0.203 0.000 0.793 196 P CB 1.153 32.993 31.700 0.234 0.000 1.048 197 K N 0.780 121.299 120.400 0.198 0.000 2.015 197 K HA -0.162 4.158 4.320 0.000 0.000 0.220 197 K C 1.357 178.100 176.600 0.239 0.000 1.055 197 K CA 2.331 58.733 56.287 0.192 0.000 0.951 197 K CB -1.228 31.366 32.500 0.157 0.000 0.725 197 K HN 0.749 nan 8.250 nan 0.000 0.449 198 G N 0.197 109.162 108.800 0.275 0.000 4.873 198 G HA2 0.129 4.089 3.960 0.000 0.000 0.314 198 G HA3 0.129 4.089 3.960 0.000 0.000 0.314 198 G C -0.841 174.302 174.900 0.405 0.000 1.426 198 G CA -0.481 44.819 45.100 0.334 0.000 1.136 198 G HN 0.206 nan 8.290 nan 0.000 0.589 199 Y N 1.987 122.423 120.300 0.228 0.000 2.336 199 Y HA 0.588 5.138 4.550 0.000 0.000 0.331 199 Y C -0.233 175.739 175.900 0.120 0.000 1.211 199 Y CA -0.711 57.462 58.100 0.122 0.000 1.346 199 Y CB 0.569 39.045 38.460 0.026 0.000 1.271 199 Y HN 0.381 nan 8.280 nan 0.000 0.538 200 F N 4.343 123.845 119.950 -0.747 0.000 2.678 200 F HA 0.689 5.216 4.527 0.000 0.000 0.308 200 F C -2.090 173.240 175.800 -0.782 0.000 1.118 200 F CA -1.265 56.293 58.000 -0.736 0.000 0.959 200 F CB 0.803 39.161 39.000 -1.069 0.000 1.305 200 F HN 0.413 nan 8.300 nan 0.000 0.443 201 V N 0.059 119.729 119.914 -0.407 0.000 3.077 201 V HA 0.608 4.728 4.120 0.000 0.000 0.299 201 V C -1.322 174.687 176.094 -0.143 0.000 1.276 201 V CA -0.864 61.208 62.300 -0.380 0.000 0.993 201 V CB 1.337 32.975 31.823 -0.309 0.000 1.076 201 V HN 1.197 nan 8.190 nan 0.000 0.434 202 Q N 2.431 122.148 119.800 -0.139 0.000 2.288 202 Q HA 0.439 4.779 4.340 0.000 0.000 0.258 202 Q C -0.421 175.516 176.000 -0.105 0.000 0.957 202 Q CA 0.537 56.297 55.803 -0.072 0.000 0.919 202 Q CB 0.806 29.502 28.738 -0.069 0.000 1.185 202 Q HN 0.876 nan 8.270 nan 0.000 0.408 203 N N 2.922 121.582 118.700 -0.067 0.000 2.457 203 N HA 0.330 5.070 4.740 0.000 0.000 0.250 203 N C -1.076 174.264 175.510 -0.283 0.000 0.982 203 N CA -0.430 52.514 53.050 -0.176 0.000 0.941 203 N CB 1.135 39.592 38.487 -0.050 0.000 1.120 203 N HN 0.697 nan 8.380 nan 0.000 0.505 204 T N -1.031 113.218 114.554 -0.508 0.000 2.948 204 T HA 0.364 4.714 4.350 0.000 0.000 0.285 204 T C -0.178 174.006 174.700 -0.861 0.000 1.019 204 T CA -0.410 61.353 62.100 -0.561 0.000 1.013 204 T CB 1.108 69.466 68.868 -0.850 0.000 1.117 204 T HN 0.399 nan 8.240 nan 0.000 0.533 205 Y N -0.719 119.479 120.300 -0.170 0.000 2.728 205 Y HA 0.354 4.904 4.550 0.000 0.000 0.256 205 Y C -0.212 175.703 175.900 0.024 0.000 1.112 205 Y CA -1.330 56.766 58.100 -0.006 0.000 1.240 205 Y CB 0.297 38.874 38.460 0.194 0.000 1.337 205 Y HN 0.683 nan 8.280 nan 0.000 0.559 206 F N -1.421 118.558 119.950 0.048 0.000 2.497 206 F HA 0.653 5.180 4.527 0.000 0.000 0.331 206 F C -0.057 175.750 175.800 0.011 0.000 1.060 206 F CA -1.820 56.194 58.000 0.023 0.000 0.989 206 F CB 0.803 39.732 39.000 -0.119 0.000 1.245 206 F HN -0.213 nan 8.300 nan 0.000 0.486 207 D N 1.931 122.566 120.400 0.391 0.000 2.622 207 D HA 0.346 4.986 4.640 0.000 0.000 0.262 207 D C -1.402 175.371 176.300 0.788 0.000 1.189 207 D CA -0.158 54.098 54.000 0.427 0.000 0.985 207 D CB -0.438 40.638 40.800 0.459 0.000 0.994 207 D HN 0.530 nan 8.370 nan 0.000 0.513 208 F N -0.530 119.708 119.950 0.480 0.000 2.740 208 F HA 0.325 4.852 4.527 0.000 0.000 0.312 208 F C -1.517 174.551 175.800 0.446 0.000 1.121 208 F CA -1.757 56.555 58.000 0.520 0.000 0.977 208 F CB 0.087 39.336 39.000 0.414 0.000 1.265 208 F HN -0.162 nan 8.300 nan 0.000 0.443 209 F N 3.103 123.232 119.950 0.298 0.000 2.623 209 F HA 0.141 4.668 4.527 0.000 0.000 0.383 209 F C 1.050 176.883 175.800 0.055 0.000 1.077 209 F CA 0.284 58.254 58.000 -0.049 0.000 1.268 209 F CB 0.356 39.035 39.000 -0.536 0.000 1.053 209 F HN 0.705 nan 8.300 nan 0.000 0.571 210 N N 5.186 123.488 118.700 -0.664 0.000 3.254 210 N HA -0.019 4.721 4.740 0.000 0.000 0.308 210 N C -1.246 174.032 175.510 -0.386 0.000 1.281 210 N CA -0.039 52.858 53.050 -0.254 0.000 1.212 210 N CB -0.793 37.625 38.487 -0.116 0.000 1.478 210 N HN 0.323 nan 8.380 nan 0.000 0.548 211 Y N 0.850 121.096 120.300 -0.090 0.000 2.650 211 Y HA 0.224 4.774 4.550 0.000 0.000 0.331 211 Y C 0.967 176.775 175.900 -0.153 0.000 1.165 211 Y CA -0.366 57.732 58.100 -0.004 0.000 1.473 211 Y CB 0.041 38.614 38.460 0.188 0.000 1.224 211 Y HN 0.341 nan 8.280 nan 0.000 0.533 212 A N 2.357 125.202 122.820 0.042 0.000 2.373 212 A HA 0.953 5.273 4.320 0.000 0.000 0.291 212 A C 0.537 178.327 177.584 0.344 0.000 1.171 212 A CA 0.007 52.026 52.037 -0.030 0.000 0.922 212 A CB 0.898 20.002 19.000 0.173 0.000 1.400 212 A HN 1.255 nan 8.150 nan 0.000 0.474 213 G N -2.061 106.917 108.800 0.298 0.000 2.396 213 G HA2 0.423 4.383 3.960 0.000 0.000 0.254 213 G HA3 0.423 4.383 3.960 0.000 0.000 0.254 213 G C -1.511 173.358 174.900 -0.051 0.000 1.248 213 G CA -0.050 45.217 45.100 0.278 0.000 1.033 213 G HN 1.994 nan 8.290 nan 0.000 0.502 214 L N 1.230 122.381 121.223 -0.121 0.000 2.362 214 L HA 0.857 5.197 4.340 0.000 0.000 0.275 214 L C 0.240 177.066 176.870 -0.074 0.000 0.998 214 L CA -0.431 54.265 54.840 -0.240 0.000 0.820 214 L CB 1.396 43.088 42.059 -0.612 0.000 1.270 214 L HN 1.222 nan 8.230 nan 0.000 0.415 215 Q N 3.911 123.660 119.800 -0.084 0.000 3.111 215 Q HA 0.633 4.973 4.340 0.000 0.000 0.372 215 Q C 0.021 175.952 176.000 -0.115 0.000 0.781 215 Q CA -0.471 55.300 55.803 -0.053 0.000 0.866 215 Q CB 1.037 29.774 28.738 -0.001 0.000 1.351 215 Q HN 0.592 nan 8.270 nan 0.000 0.453 216 R N -0.022 120.384 120.500 -0.156 0.000 3.596 216 R HA -0.221 4.119 4.340 0.000 0.000 0.259 216 R C 0.075 176.142 176.300 -0.388 0.000 0.674 216 R CA 2.367 58.244 56.100 -0.371 0.000 1.213 216 R CB -2.339 27.822 30.300 -0.231 0.000 0.823 216 R HN 1.046 nan 8.270 nan 0.000 0.604 217 S N 0.336 115.904 115.700 -0.219 0.000 2.603 217 S HA 0.616 5.086 4.470 0.000 0.000 0.274 217 S C -0.687 173.871 174.600 -0.071 0.000 1.168 217 S CA -0.891 57.233 58.200 -0.126 0.000 0.963 217 S CB 2.643 65.797 63.200 -0.077 0.000 1.078 217 S HN 0.290 nan 8.310 nan 0.000 0.477 218 V N 5.237 125.156 119.914 0.008 0.000 2.448 218 V HA 0.786 4.906 4.120 0.000 0.000 0.295 218 V C 0.013 176.193 176.094 0.142 0.000 1.025 218 V CA -0.572 61.770 62.300 0.071 0.000 0.859 218 V CB 0.940 32.859 31.823 0.160 0.000 0.988 218 V HN 1.059 nan 8.190 nan 0.000 0.431 219 L N 2.964 124.255 121.223 0.113 0.000 2.656 219 L HA 0.778 5.118 4.340 0.000 0.000 0.252 219 L C -1.931 175.029 176.870 0.150 0.000 1.129 219 L CA -1.055 53.865 54.840 0.134 0.000 0.962 219 L CB 2.508 44.619 42.059 0.087 0.000 1.565 219 L HN 0.436 nan 8.230 nan 0.000 0.389 220 L N 1.554 122.897 121.223 0.201 0.000 2.471 220 L HA 0.466 4.806 4.340 0.000 0.000 0.263 220 L C -1.043 176.018 176.870 0.319 0.000 0.985 220 L CA -0.366 54.623 54.840 0.248 0.000 0.868 220 L CB 1.611 43.872 42.059 0.337 0.000 1.203 220 L HN 0.473 nan 8.230 nan 0.000 0.429 221 Y N 1.914 122.249 120.300 0.058 0.000 2.286 221 Y HA 0.594 5.144 4.550 0.000 0.000 0.347 221 Y C 0.297 176.122 175.900 -0.124 0.000 1.351 221 Y CA -0.791 57.321 58.100 0.020 0.000 1.640 221 Y CB 1.699 40.171 38.460 0.019 0.000 1.560 221 Y HN 0.401 nan 8.280 nan 0.000 0.574 222 T N 1.440 115.734 114.554 -0.434 0.000 3.291 222 T HA 0.402 4.752 4.350 0.000 0.000 0.344 222 T C -1.464 172.877 174.700 -0.598 0.000 1.293 222 T CA -0.616 61.122 62.100 -0.604 0.000 1.108 222 T CB 0.958 69.263 68.868 -0.937 0.000 1.231 222 T HN 0.797 nan 8.240 nan 0.000 0.474 223 T N 2.854 117.154 114.554 -0.424 0.000 2.916 223 T HA 0.678 5.028 4.350 0.000 0.000 0.305 223 T C -2.863 171.686 174.700 -0.251 0.000 1.119 223 T CA -1.977 59.952 62.100 -0.286 0.000 1.008 223 T CB 2.382 71.169 68.868 -0.135 0.000 1.129 223 T HN 0.272 nan 8.240 nan 0.000 0.480 224 P HA 0.278 nan 4.420 nan 0.000 0.214 224 P C -0.026 177.165 177.300 -0.182 0.000 1.807 224 P CA 0.205 63.215 63.100 -0.152 0.000 0.921 224 P CB -1.118 30.535 31.700 -0.078 0.000 1.835 225 T N -0.525 113.840 114.554 -0.315 0.000 0.541 225 T HA -0.223 4.127 4.350 0.000 0.000 0.774 225 T C 0.543 175.082 174.700 -0.268 0.000 0.992 225 T CA 1.260 63.118 62.100 -0.404 0.000 4.077 225 T CB -2.417 66.304 68.868 -0.246 0.000 2.303 225 T HN 0.358 nan 8.240 nan 0.000 0.398 226 T N 0.290 114.733 114.554 -0.186 0.000 3.608 226 T HA -0.213 4.137 4.350 0.000 0.000 0.368 226 T C 0.154 174.855 174.700 0.003 0.000 0.763 226 T CA 1.589 63.646 62.100 -0.073 0.000 1.845 226 T CB -1.868 66.960 68.868 -0.066 0.000 1.816 226 T HN 0.970 nan 8.240 nan 0.000 0.704 227 Y N -0.393 119.827 120.300 -0.132 0.000 2.304 227 Y HA 0.616 5.166 4.550 0.000 0.000 0.327 227 Y C 0.396 176.218 175.900 -0.130 0.000 1.209 227 Y CA -3.412 54.620 58.100 -0.115 0.000 1.299 227 Y CB 0.293 38.698 38.460 -0.091 0.000 1.249 227 Y HN 0.107 nan 8.280 nan 0.000 0.519 228 I N 3.312 123.875 120.570 -0.011 0.000 2.775 228 I HA -0.066 4.104 4.170 0.000 0.000 0.290 228 I C 0.127 176.048 176.117 -0.325 0.000 1.203 228 I CA 0.466 61.672 61.300 -0.156 0.000 1.433 228 I CB 0.153 38.082 38.000 -0.119 0.000 1.354 228 I HN 0.674 nan 8.210 nan 0.000 0.579 229 D N 2.296 122.501 120.400 -0.325 0.000 2.500 229 D HA 0.185 4.825 4.640 0.000 0.000 0.217 229 D C -0.692 175.458 176.300 -0.249 0.000 1.159 229 D CA 0.265 54.044 54.000 -0.368 0.000 0.828 229 D CB 0.563 41.153 40.800 -0.350 0.000 1.039 229 D HN 0.592 nan 8.370 nan 0.000 0.512 230 D N -0.759 119.508 120.400 -0.222 0.000 2.334 230 D HA 0.182 4.822 4.640 0.000 0.000 0.182 230 D C -0.703 175.509 176.300 -0.146 0.000 1.157 230 D CA -0.242 53.653 54.000 -0.174 0.000 0.807 230 D CB 0.989 41.716 40.800 -0.121 0.000 2.649 230 D HN -0.173 nan 8.370 nan 0.000 0.494 231 I N 1.694 122.173 120.570 -0.152 0.000 3.816 231 I HA 0.128 4.298 4.170 0.000 0.000 0.334 231 I C 0.778 176.874 176.117 -0.035 0.000 1.551 231 I CA -0.234 61.015 61.300 -0.085 0.000 1.153 231 I CB 0.759 38.698 38.000 -0.101 0.000 1.197 231 I HN 0.369 nan 8.210 nan 0.000 0.439 232 T N 3.145 117.673 114.554 -0.044 0.000 2.591 232 T HA 0.030 4.380 4.350 0.000 0.000 0.245 232 T C -0.061 174.639 174.700 0.000 0.000 1.031 232 T CA 0.364 62.448 62.100 -0.026 0.000 1.187 232 T CB -0.187 68.664 68.868 -0.029 0.000 1.014 232 T HN 0.300 nan 8.240 nan 0.000 0.488 233 V N 2.906 122.820 119.914 0.001 0.000 3.102 233 V HA 0.976 5.096 4.120 0.000 0.000 0.312 233 V C -0.281 175.812 176.094 -0.002 0.000 1.135 233 V CA -0.719 61.591 62.300 0.017 0.000 1.022 233 V CB 2.611 34.458 31.823 0.039 0.000 1.056 233 V HN 0.818 nan 8.190 nan 0.000 0.436 234 T N 1.580 116.132 114.554 -0.002 0.000 3.032 234 T HA 0.545 4.895 4.350 0.000 0.000 0.312 234 T C -0.798 173.894 174.700 -0.015 0.000 1.078 234 T CA -0.142 61.949 62.100 -0.015 0.000 1.028 234 T CB 1.503 70.364 68.868 -0.012 0.000 1.091 234 T HN 1.226 nan 8.240 nan 0.000 0.457 235 T N 2.493 117.030 114.554 -0.028 0.000 2.842 235 T HA 0.563 4.913 4.350 0.000 0.000 0.308 235 T C 0.218 174.897 174.700 -0.035 0.000 1.041 235 T CA -0.503 61.584 62.100 -0.022 0.000 0.964 235 T CB 0.071 68.933 68.868 -0.011 0.000 0.972 235 T HN 0.520 nan 8.240 nan 0.000 0.460 236 S N 2.946 118.629 115.700 -0.028 0.000 2.641 236 S HA 0.724 5.194 4.470 0.000 0.000 0.261 236 S C -0.114 174.467 174.600 -0.032 0.000 1.257 236 S CA -0.792 57.389 58.200 -0.033 0.000 0.983 236 S CB 1.083 64.267 63.200 -0.026 0.000 0.990 236 S HN 0.691 nan 8.310 nan 0.000 0.572 237 V N 0.016 119.911 119.914 -0.033 0.000 3.007 237 V HA 0.512 4.632 4.120 0.000 0.000 0.311 237 V C 0.234 176.317 176.094 -0.018 0.000 1.120 237 V CA -0.619 61.664 62.300 -0.029 0.000 0.980 237 V CB 2.006 33.801 31.823 -0.047 0.000 1.033 237 V HN 1.011 nan 8.190 nan 0.000 0.429 238 E N 0.912 121.107 120.200 -0.009 0.000 3.859 238 E HA 0.249 4.599 4.350 0.000 0.000 0.231 238 E C 0.335 176.939 176.600 0.006 0.000 1.100 238 E CA -0.172 56.226 56.400 -0.002 0.000 0.872 238 E CB 0.678 30.376 29.700 -0.002 0.000 2.962 238 E HN 0.655 nan 8.360 nan 0.000 0.546 239 Q N 0.661 120.467 119.800 0.009 0.000 2.356 239 Q HA 0.178 4.519 4.340 0.000 0.000 0.205 239 Q C -0.952 175.060 176.000 0.020 0.000 0.901 239 Q CA 0.519 56.332 55.803 0.017 0.000 0.938 239 Q CB 0.641 29.389 28.738 0.016 0.000 1.081 239 Q HN 0.252 nan 8.270 nan 0.000 0.517 240 D N -2.783 117.626 120.400 0.015 0.000 2.989 240 D HA 0.190 4.830 4.640 0.000 0.000 0.284 240 D C 0.233 176.541 176.300 0.013 0.000 1.212 240 D CA -0.614 53.396 54.000 0.018 0.000 1.055 240 D CB -0.191 40.620 40.800 0.018 0.000 1.351 240 D HN -0.261 nan 8.370 nan 0.000 0.611 241 S N -1.698 114.013 115.700 0.019 0.000 2.440 241 S HA 0.168 4.638 4.470 0.000 0.000 0.240 241 S C 0.637 175.262 174.600 0.043 0.000 1.014 241 S CA 1.424 59.642 58.200 0.029 0.000 0.980 241 S CB -0.595 62.644 63.200 0.065 0.000 0.775 241 S HN 0.627 nan 8.310 nan 0.000 0.499 242 G N -0.917 107.889 108.800 0.011 0.000 2.428 242 G HA2 0.480 4.440 3.960 0.000 0.000 0.304 242 G HA3 0.480 4.440 3.960 0.000 0.000 0.304 242 G C -1.510 173.381 174.900 -0.015 0.000 1.303 242 G CA -0.294 44.805 45.100 -0.001 0.000 0.825 242 G HN 0.330 nan 8.290 nan 0.000 0.484 243 L N 1.155 122.369 121.223 -0.015 0.000 2.562 243 L HA 0.232 4.572 4.340 0.000 0.000 0.307 243 L C 0.424 177.295 176.870 0.002 0.000 1.292 243 L CA -0.107 54.728 54.840 -0.008 0.000 0.654 243 L CB -0.032 42.021 42.059 -0.011 0.000 0.997 243 L HN 0.913 nan 8.230 nan 0.000 0.521 244 V N -0.785 119.133 119.914 0.008 0.000 2.814 244 V HA 0.165 4.285 4.120 0.000 0.000 0.307 244 V C 0.585 176.727 176.094 0.080 0.000 1.089 244 V CA 0.091 62.413 62.300 0.038 0.000 1.212 244 V CB 0.247 32.087 31.823 0.029 0.000 0.912 244 V HN 0.595 nan 8.190 nan 0.000 0.497 245 N N 3.063 121.802 118.700 0.066 0.000 2.417 245 N HA 0.476 5.216 4.740 0.000 0.000 0.274 245 N C -1.409 174.150 175.510 0.082 0.000 0.987 245 N CA -0.344 52.719 53.050 0.023 0.000 0.912 245 N CB 1.915 40.388 38.487 -0.024 0.000 1.177 245 N HN 0.917 nan 8.380 nan 0.000 0.490 246 Y N 0.167 120.455 120.300 -0.020 0.000 2.328 246 Y HA 0.512 5.062 4.550 0.000 0.000 0.336 246 Y C -0.786 175.104 175.900 -0.017 0.000 0.960 246 Y CA -0.983 57.107 58.100 -0.018 0.000 1.134 246 Y CB 0.920 39.373 38.460 -0.012 0.000 1.166 246 Y HN 0.248 nan 8.280 nan 0.000 0.464 247 Q N 4.789 124.621 119.800 0.052 0.000 2.337 247 Q HA 0.524 4.864 4.340 0.000 0.000 0.260 247 Q C -1.478 174.537 176.000 0.025 0.000 0.982 247 Q CA -0.545 55.260 55.803 0.003 0.000 0.734 247 Q CB 2.188 30.904 28.738 -0.036 0.000 1.272 247 Q HN 0.754 nan 8.270 nan 0.000 0.461 248 I N 0.433 121.029 120.570 0.043 0.000 2.793 248 I HA 0.531 4.701 4.170 0.000 0.000 0.313 248 I C 0.145 176.245 176.117 -0.029 0.000 0.998 248 I CA -0.359 60.944 61.300 0.005 0.000 1.140 248 I CB 2.005 40.023 38.000 0.029 0.000 1.327 248 I HN 0.395 nan 8.210 nan 0.000 0.491 249 S N 1.316 116.967 115.700 -0.081 0.000 2.634 249 S HA 0.947 5.417 4.470 0.000 0.000 0.296 249 S C -0.906 173.596 174.600 -0.163 0.000 1.104 249 S CA -0.424 57.717 58.200 -0.097 0.000 0.920 249 S CB 1.259 64.398 63.200 -0.102 0.000 1.111 249 S HN 0.338 nan 8.310 nan 0.000 0.493 250 V N 1.593 121.397 119.914 -0.183 0.000 3.103 250 V HA 0.756 4.876 4.120 0.000 0.000 0.311 250 V C -1.125 174.905 176.094 -0.108 0.000 1.322 250 V CA -1.042 61.103 62.300 -0.259 0.000 1.063 250 V CB 2.163 33.584 31.823 -0.671 0.000 1.090 250 V HN 0.915 nan 8.190 nan 0.000 0.462 251 K N -0.370 120.023 120.400 -0.011 0.000 2.536 251 K HA 0.539 4.859 4.320 0.000 0.000 0.335 251 K C -0.442 176.199 176.600 0.069 0.000 1.390 251 K CA 0.525 56.883 56.287 0.119 0.000 1.083 251 K CB 0.592 33.287 32.500 0.324 0.000 1.416 251 K HN 1.105 nan 8.250 nan 0.000 0.509 252 G N 0.272 109.082 108.800 0.018 0.000 3.321 252 G HA2 0.537 4.497 3.960 0.000 0.000 0.169 252 G HA3 0.537 4.497 3.960 0.000 0.000 0.169 252 G C -1.261 173.653 174.900 0.023 0.000 1.153 252 G CA -0.049 45.045 45.100 -0.010 0.000 1.007 252 G HN 0.427 nan 8.290 nan 0.000 0.668 253 S N -1.391 114.334 115.700 0.041 0.000 2.550 253 S HA 0.503 4.973 4.470 0.000 0.000 0.270 253 S C 0.448 175.085 174.600 0.062 0.000 1.145 253 S CA 0.779 59.006 58.200 0.045 0.000 0.852 253 S CB 1.518 64.727 63.200 0.015 0.000 1.119 253 S HN 1.174 nan 8.310 nan 0.000 0.465 254 N N -0.240 118.489 118.700 0.048 0.000 1.978 254 N HA -0.246 4.494 4.740 0.000 0.000 0.217 254 N C 0.011 175.545 175.510 0.039 0.000 0.677 254 N CA 2.993 56.064 53.050 0.035 0.000 4.021 254 N CB -1.463 37.038 38.487 0.022 0.000 0.740 254 N HN 1.292 nan 8.380 nan 0.000 0.276 255 L N -6.418 114.849 121.223 0.073 0.000 3.140 255 L HA 0.654 4.994 4.340 0.000 0.000 0.297 255 L C -1.090 175.889 176.870 0.183 0.000 0.958 255 L CA -0.707 54.162 54.840 0.050 0.000 1.030 255 L CB 0.780 42.805 42.059 -0.056 0.000 1.612 255 L HN 0.334 nan 8.230 nan 0.000 0.363 256 F N -2.444 117.501 119.950 -0.009 0.000 3.394 256 F HA 0.843 5.370 4.527 0.000 0.000 0.329 256 F C -1.801 173.991 175.800 -0.013 0.000 1.063 256 F CA -0.638 57.355 58.000 -0.012 0.000 0.832 256 F CB 0.993 39.987 39.000 -0.010 0.000 1.530 256 F HN 0.865 nan 8.300 nan 0.000 0.459 257 K N 0.770 121.350 120.400 0.301 0.000 2.672 257 K HA 0.797 5.117 4.320 0.000 0.000 0.295 257 K C -2.408 174.374 176.600 0.303 0.000 1.042 257 K CA -0.317 56.071 56.287 0.168 0.000 0.869 257 K CB 2.496 35.013 32.500 0.028 0.000 1.541 257 K HN 1.473 nan 8.250 nan 0.000 0.396 258 L N -0.937 120.390 121.223 0.174 0.000 3.076 258 L HA 0.464 4.804 4.340 0.000 0.000 0.240 258 L C -1.210 175.696 176.870 0.060 0.000 0.982 258 L CA -0.757 54.134 54.840 0.086 0.000 1.030 258 L CB 0.964 43.071 42.059 0.081 0.000 1.560 258 L HN 0.693 nan 8.230 nan 0.000 0.432 259 E N 1.740 121.941 120.200 0.002 0.000 2.392 259 E HA 0.842 5.192 4.350 0.000 0.000 0.269 259 E C -1.091 175.477 176.600 -0.053 0.000 0.924 259 E CA -0.647 55.750 56.400 -0.005 0.000 0.784 259 E CB 2.958 32.656 29.700 -0.005 0.000 1.292 259 E HN 1.139 nan 8.360 nan 0.000 0.447 260 V N -1.612 118.231 119.914 -0.119 0.000 3.158 260 V HA 0.881 5.001 4.120 0.000 0.000 0.315 260 V C -0.732 175.244 176.094 -0.197 0.000 1.148 260 V CA -1.021 61.165 62.300 -0.189 0.000 1.042 260 V CB 1.802 33.398 31.823 -0.378 0.000 1.101 260 V HN 1.022 nan 8.190 nan 0.000 0.448 261 R N 1.029 121.429 120.500 -0.167 0.000 2.634 261 R HA 0.692 5.032 4.340 0.000 0.000 0.263 261 R C -2.373 173.870 176.300 -0.095 0.000 1.060 261 R CA -0.840 55.188 56.100 -0.120 0.000 0.898 261 R CB 1.677 31.951 30.300 -0.043 0.000 1.253 261 R HN 0.734 nan 8.270 nan 0.000 0.461 262 L N 2.592 123.755 121.223 -0.101 0.000 2.305 262 L HA 0.478 4.818 4.340 0.000 0.000 0.284 262 L C -1.642 175.201 176.870 -0.044 0.000 1.013 262 L CA -0.762 54.020 54.840 -0.097 0.000 0.819 262 L CB 1.561 43.495 42.059 -0.209 0.000 1.227 262 L HN 0.603 nan 8.230 nan 0.000 0.417 263 L N 4.918 126.164 121.223 0.038 0.000 2.319 263 L HA 0.492 4.832 4.340 0.000 0.000 0.281 263 L C 0.217 177.224 176.870 0.227 0.000 1.005 263 L CA -0.667 54.232 54.840 0.097 0.000 0.828 263 L CB 0.962 43.071 42.059 0.083 0.000 1.227 263 L HN 0.629 nan 8.230 nan 0.000 0.415 264 D N 3.144 123.723 120.400 0.298 0.000 2.158 264 D HA 0.060 4.700 4.640 0.000 0.000 0.275 264 D C 1.526 177.989 176.300 0.271 0.000 1.170 264 D CA 0.300 54.600 54.000 0.501 0.000 1.007 264 D CB 0.059 41.179 40.800 0.533 0.000 1.144 264 D HN 0.440 nan 8.370 nan 0.000 0.509 265 A N -1.022 121.917 122.820 0.198 0.000 2.093 265 A HA -0.152 4.168 4.320 0.000 0.000 0.222 265 A C 0.121 177.718 177.584 0.022 0.000 1.162 265 A CA 1.765 53.812 52.037 0.016 0.000 0.655 265 A CB -0.738 18.228 19.000 -0.056 0.000 0.805 265 A HN 0.590 nan 8.150 nan 0.000 0.461 266 E N -2.141 118.096 120.200 0.062 0.000 2.321 266 E HA 0.295 4.645 4.350 0.000 0.000 0.281 266 E C -0.626 176.009 176.600 0.057 0.000 0.910 266 E CA -0.721 55.703 56.400 0.040 0.000 0.770 266 E CB 0.299 30.017 29.700 0.029 0.000 1.225 266 E HN 0.265 nan 8.360 nan 0.000 0.417 267 N N 2.674 121.400 118.700 0.044 0.000 2.024 267 N HA -0.171 4.569 4.740 0.000 0.000 0.270 267 N C -0.738 174.802 175.510 0.049 0.000 1.302 267 N CA 0.517 53.594 53.050 0.045 0.000 1.120 267 N CB 0.134 38.636 38.487 0.025 0.000 1.492 267 N HN 0.179 nan 8.380 nan 0.000 0.474 268 K N 2.371 122.810 120.400 0.066 0.000 2.682 268 K HA 0.157 4.477 4.320 0.000 0.000 0.189 268 K C -0.809 175.823 176.600 0.054 0.000 1.062 268 K CA -0.625 55.699 56.287 0.061 0.000 0.997 268 K CB 0.744 33.291 32.500 0.078 0.000 1.405 268 K HN 0.053 nan 8.250 nan 0.000 0.588 269 V N 1.516 121.453 119.914 0.039 0.000 2.555 269 V HA -0.061 4.059 4.120 0.000 0.000 0.299 269 V C 0.899 177.000 176.094 0.012 0.000 1.012 269 V CA 0.290 62.604 62.300 0.023 0.000 1.180 269 V CB 0.571 32.407 31.823 0.022 0.000 0.887 269 V HN 0.322 nan 8.190 nan 0.000 0.476 270 V N 4.385 124.294 119.914 -0.008 0.000 3.301 270 V HA 0.672 4.792 4.120 0.000 0.000 0.477 270 V C 0.487 176.554 176.094 -0.045 0.000 1.564 270 V CA 0.778 63.069 62.300 -0.015 0.000 1.946 270 V CB 0.605 32.431 31.823 0.005 0.000 1.281 270 V HN 0.982 nan 8.190 nan 0.000 0.655 271 A N 1.405 124.193 122.820 -0.053 0.000 1.728 271 A HA 0.423 4.743 4.320 0.000 0.000 0.202 271 A C 0.406 177.962 177.584 -0.048 0.000 1.758 271 A CA 0.607 52.605 52.037 -0.065 0.000 1.146 271 A CB 0.154 19.086 19.000 -0.112 0.000 1.056 271 A HN 0.921 nan 8.150 nan 0.000 0.539 272 N N -0.841 117.817 118.700 -0.071 0.000 3.734 272 N HA 0.140 4.880 4.740 0.000 0.000 0.293 272 N C -0.321 175.156 175.510 -0.055 0.000 2.048 272 N CA 0.602 53.618 53.050 -0.056 0.000 2.515 272 N CB -0.729 37.748 38.487 -0.016 0.000 0.580 272 N HN 1.155 nan 8.380 nan 0.000 0.627 273 G N 0.261 109.000 108.800 -0.101 0.000 2.690 273 G HA2 0.665 4.625 3.960 0.000 0.000 0.293 273 G HA3 0.665 4.625 3.960 0.000 0.000 0.293 273 G C 0.513 175.471 174.900 0.098 0.000 1.399 273 G CA -0.114 44.980 45.100 -0.010 0.000 0.890 273 G HN 0.436 nan 8.290 nan 0.000 0.485 274 T N -0.113 114.617 114.554 0.294 0.000 3.298 274 T HA 0.135 4.485 4.350 0.000 0.000 0.124 274 T C 1.451 176.270 174.700 0.199 0.000 1.825 274 T CA 2.032 64.272 62.100 0.232 0.000 1.069 274 T CB -0.781 68.216 68.868 0.214 0.000 0.848 274 T HN 1.544 nan 8.240 nan 0.000 0.338 275 G N -1.042 107.897 108.800 0.232 0.000 2.899 275 G HA2 0.378 4.338 3.960 0.000 0.000 0.137 275 G HA3 0.378 4.338 3.960 0.000 0.000 0.137 275 G C -0.643 174.380 174.900 0.204 0.000 1.198 275 G CA -0.164 45.053 45.100 0.196 0.000 1.126 275 G HN 0.462 nan 8.290 nan 0.000 0.589 276 T N 1.792 116.469 114.554 0.204 0.000 3.416 276 T HA 0.456 4.806 4.350 0.000 0.000 0.247 276 T C -0.131 174.627 174.700 0.095 0.000 0.973 276 T CA 1.664 63.857 62.100 0.156 0.000 1.166 276 T CB -0.903 68.112 68.868 0.244 0.000 1.040 276 T HN 0.889 nan 8.240 nan 0.000 0.746 277 Q N 0.814 120.651 119.800 0.062 0.000 3.503 277 Q HA 0.339 4.679 4.340 0.000 0.000 0.126 277 Q C -0.712 175.179 176.000 -0.181 0.000 0.975 277 Q CA 0.496 56.272 55.803 -0.044 0.000 1.229 277 Q CB -0.741 27.975 28.738 -0.037 0.000 1.702 277 Q HN 0.795 nan 8.270 nan 0.000 0.594 278 G N 1.581 110.098 108.800 -0.472 0.000 2.317 278 G HA2 0.515 4.475 3.960 0.000 0.000 0.293 278 G HA3 0.515 4.475 3.960 0.000 0.000 0.293 278 G C -1.888 172.371 174.900 -1.068 0.000 1.287 278 G CA 0.105 44.611 45.100 -0.990 0.000 0.850 278 G HN 0.847 nan 8.290 nan 0.000 0.515 279 Q N -1.172 117.999 119.800 -1.048 0.000 2.545 279 Q HA 0.680 5.020 4.340 0.000 0.000 0.273 279 Q C -2.335 173.677 176.000 0.020 0.000 0.975 279 Q CA -0.759 54.810 55.803 -0.389 0.000 0.876 279 Q CB 2.212 30.832 28.738 -0.198 0.000 1.472 279 Q HN 0.745 nan 8.270 nan 0.000 0.389 280 L N 3.033 124.364 121.223 0.179 0.000 2.505 280 L HA 0.543 4.883 4.340 0.000 0.000 0.266 280 L C -1.013 175.893 176.870 0.060 0.000 0.954 280 L CA -0.599 54.355 54.840 0.189 0.000 0.852 280 L CB 2.127 44.347 42.059 0.270 0.000 1.282 280 L HN 0.719 nan 8.230 nan 0.000 0.403 281 K N 3.191 123.609 120.400 0.029 0.000 2.107 281 K HA 0.749 5.069 4.320 0.000 0.000 0.251 281 K C -1.482 175.102 176.600 -0.028 0.000 1.012 281 K CA -0.381 55.906 56.287 -0.001 0.000 0.920 281 K CB 1.550 34.051 32.500 0.001 0.000 1.033 281 K HN 0.349 nan 8.250 nan 0.000 0.478 282 V N 3.374 123.266 119.914 -0.036 0.000 2.775 282 V HA 0.273 4.393 4.120 0.000 0.000 0.295 282 V C -2.366 173.715 176.094 -0.023 0.000 1.226 282 V CA -1.202 61.063 62.300 -0.057 0.000 0.934 282 V CB 1.484 33.230 31.823 -0.127 0.000 1.056 282 V HN 0.949 nan 8.190 nan 0.000 0.436 283 P HA 0.579 nan 4.420 nan 0.000 0.338 283 P C 0.622 177.935 177.300 0.022 0.000 1.308 283 P CA 1.012 64.118 63.100 0.009 0.000 0.753 283 P CB 1.132 32.839 31.700 0.012 0.000 1.579 284 G N -1.052 107.766 108.800 0.029 0.000 2.556 284 G HA2 -0.078 3.882 3.960 0.000 0.000 0.283 284 G HA3 -0.078 3.882 3.960 0.000 0.000 0.283 284 G C -0.477 174.444 174.900 0.035 0.000 1.177 284 G CA 0.924 46.047 45.100 0.038 0.000 0.978 284 G HN 1.142 nan 8.290 nan 0.000 0.554 285 V N -5.554 114.379 119.914 0.031 0.000 2.971 285 V HA 0.811 4.931 4.120 0.000 0.000 0.281 285 V C -0.110 175.944 176.094 -0.068 0.000 1.470 285 V CA 0.405 62.711 62.300 0.010 0.000 0.966 285 V CB 1.231 33.081 31.823 0.044 0.000 1.156 285 V HN 2.239 nan 8.190 nan 0.000 0.441 286 S N 3.310 118.902 115.700 -0.179 0.000 3.907 286 S HA 0.271 4.741 4.470 0.000 0.000 0.094 286 S C -0.117 174.155 174.600 -0.547 0.000 0.860 286 S CA -0.387 57.445 58.200 -0.613 0.000 0.828 286 S CB -0.147 62.352 63.200 -1.168 0.000 1.108 286 S HN 0.813 nan 8.310 nan 0.000 0.715 287 L N 0.382 121.449 121.223 -0.259 0.000 2.362 287 L HA 0.444 4.784 4.340 0.000 0.000 0.200 287 L C 0.687 177.522 176.870 -0.060 0.000 1.229 287 L CA 1.170 55.889 54.840 -0.202 0.000 2.770 287 L CB -0.012 41.829 42.059 -0.363 0.000 2.643 287 L HN 0.675 nan 8.230 nan 0.000 1.032 288 W N -0.538 120.529 121.300 -0.388 0.000 2.055 288 W HA 0.322 4.982 4.660 0.000 0.000 0.291 288 W C -1.706 174.659 176.519 -0.257 0.000 1.037 288 W CA -1.190 56.044 57.345 -0.185 0.000 1.061 288 W CB 0.110 29.492 29.460 -0.129 0.000 0.994 288 W HN 0.068 nan 8.180 nan 0.000 0.273 289 W N 6.303 127.514 121.300 -0.149 0.000 2.184 289 W HA 0.441 5.101 4.660 0.000 0.000 0.338 289 W C -1.682 174.472 176.519 -0.607 0.000 1.257 289 W CA -1.304 55.898 57.345 -0.238 0.000 1.243 289 W CB 0.464 29.890 29.460 -0.056 0.000 1.122 289 W HN 0.027 nan 8.180 nan 0.000 0.585 290 P HA 0.017 nan 4.420 nan 0.000 0.290 290 P C -0.952 176.304 177.300 -0.074 0.000 1.275 290 P CA -0.620 62.231 63.100 -0.414 0.000 0.841 290 P CB 0.892 32.397 31.700 -0.324 0.000 1.042 291 Y N 4.862 125.071 120.300 -0.152 0.000 2.655 291 Y HA 0.018 4.568 4.550 0.000 0.000 0.361 291 Y C 0.723 176.590 175.900 -0.055 0.000 1.303 291 Y CA 0.815 58.879 58.100 -0.059 0.000 1.917 291 Y CB -1.049 37.405 38.460 -0.009 0.000 1.660 291 Y HN 0.414 nan 8.280 nan 0.000 0.403 292 L N 1.836 122.920 121.223 -0.231 0.000 1.471 292 L HA 0.208 4.548 4.340 0.000 0.000 0.149 292 L C -1.027 175.780 176.870 -0.105 0.000 1.322 292 L CA 0.129 54.809 54.840 -0.268 0.000 1.269 292 L CB -0.340 41.624 42.059 -0.159 0.000 2.567 292 L HN 0.160 nan 8.230 nan 0.000 0.480 293 M N 3.068 122.670 119.600 0.004 0.000 2.113 293 M HA 0.507 4.987 4.480 0.000 0.000 0.352 293 M C -0.275 175.964 176.300 -0.102 0.000 1.170 293 M CA -0.096 55.187 55.300 -0.028 0.000 1.053 293 M CB 0.597 33.274 32.600 0.128 0.000 1.601 293 M HN 0.439 nan 8.290 nan 0.000 0.459 294 H N 1.870 120.708 119.070 -0.386 0.000 4.716 294 H HA -0.186 4.370 4.556 0.000 0.000 0.254 294 H C 0.214 175.424 175.328 -0.196 0.000 0.526 294 H CA 1.113 56.910 56.048 -0.418 0.000 0.674 294 H CB 0.019 29.235 29.762 -0.910 0.000 0.898 294 H HN 0.940 nan 8.280 nan 0.000 0.304 295 E N 2.063 121.576 120.200 -1.145 0.000 2.024 295 E HA -0.263 4.087 4.350 0.000 0.000 0.236 295 E C 0.743 177.040 176.600 -0.506 0.000 0.995 295 E CA 2.206 58.125 56.400 -0.801 0.000 0.904 295 E CB -0.122 29.140 29.700 -0.730 0.000 0.823 295 E HN 0.628 nan 8.360 nan 0.000 0.552 296 R N 1.697 121.950 120.500 -0.412 0.000 2.221 296 R HA 0.339 4.679 4.340 0.000 0.000 0.327 296 R C -2.092 174.352 176.300 0.240 0.000 1.033 296 R CA -1.629 54.487 56.100 0.026 0.000 0.887 296 R CB 1.349 31.724 30.300 0.125 0.000 1.057 296 R HN 0.105 nan 8.270 nan 0.000 0.455 297 P HA -0.114 nan 4.420 nan 0.000 0.330 297 P C -0.091 177.198 177.300 -0.019 0.000 1.436 297 P CA -0.104 63.060 63.100 0.106 0.000 0.845 297 P CB -0.035 31.718 31.700 0.087 0.000 2.027 298 A N -0.498 122.172 122.820 -0.249 0.000 2.802 298 A HA -0.134 4.186 4.320 0.000 0.000 0.291 298 A C 0.058 177.675 177.584 0.055 0.000 1.609 298 A CA 0.333 52.155 52.037 -0.358 0.000 1.132 298 A CB -2.485 16.448 19.000 -0.112 0.000 0.930 298 A HN 0.344 nan 8.150 nan 0.000 0.583 299 Y N 2.307 122.633 120.300 0.044 0.000 2.402 299 Y HA 0.497 5.047 4.550 0.000 0.000 0.333 299 Y C -0.008 175.945 175.900 0.088 0.000 1.076 299 Y CA -0.382 57.743 58.100 0.041 0.000 1.299 299 Y CB 0.396 38.849 38.460 -0.011 0.000 1.197 299 Y HN 0.520 nan 8.280 nan 0.000 0.517 300 L N 6.293 127.622 121.223 0.178 0.000 2.354 300 L HA 0.423 4.763 4.340 0.000 0.000 0.264 300 L C -1.000 175.931 176.870 0.103 0.000 1.008 300 L CA -1.086 53.861 54.840 0.178 0.000 0.819 300 L CB 1.665 43.808 42.059 0.141 0.000 1.339 300 L HN 0.526 nan 8.230 nan 0.000 0.420 301 Y N -0.162 120.283 120.300 0.242 0.000 2.780 301 Y HA 0.595 5.145 4.550 0.000 0.000 0.340 301 Y C 0.257 176.227 175.900 0.117 0.000 1.216 301 Y CA -1.002 57.212 58.100 0.189 0.000 1.245 301 Y CB 1.599 40.141 38.460 0.137 0.000 1.492 301 Y HN 0.416 nan 8.280 nan 0.000 0.660 302 S N 0.468 116.349 115.700 0.303 0.000 2.584 302 S HA 0.376 4.846 4.470 0.000 0.000 0.280 302 S C -2.235 172.438 174.600 0.121 0.000 1.162 302 S CA -0.546 57.758 58.200 0.173 0.000 0.951 302 S CB 0.856 64.137 63.200 0.135 0.000 1.108 302 S HN 0.419 nan 8.310 nan 0.000 0.464 303 L N 3.907 125.190 121.223 0.101 0.000 2.265 303 L HA 0.603 4.943 4.340 0.000 0.000 0.289 303 L C -0.093 176.824 176.870 0.078 0.000 1.033 303 L CA -0.009 54.860 54.840 0.049 0.000 0.814 303 L CB 1.172 43.247 42.059 0.027 0.000 1.203 303 L HN 0.716 nan 8.230 nan 0.000 0.423 304 E N 3.830 124.067 120.200 0.062 0.000 2.115 304 E HA 0.347 4.697 4.350 0.000 0.000 0.282 304 E C -1.309 175.351 176.600 0.099 0.000 0.987 304 E CA -0.500 55.969 56.400 0.115 0.000 0.797 304 E CB 1.520 31.295 29.700 0.125 0.000 1.086 304 E HN 0.532 nan 8.360 nan 0.000 0.397 305 V N 4.481 124.477 119.914 0.136 0.000 2.567 305 V HA 0.272 4.392 4.120 0.000 0.000 0.289 305 V C -0.752 175.342 176.094 -0.001 0.000 1.049 305 V CA -0.164 62.171 62.300 0.058 0.000 0.969 305 V CB 1.643 33.501 31.823 0.058 0.000 0.995 305 V HN 0.819 nan 8.190 nan 0.000 0.471 306 Q N 4.958 124.671 119.800 -0.144 0.000 2.337 306 Q HA 0.495 4.835 4.340 0.000 0.000 0.264 306 Q C -1.326 174.498 176.000 -0.293 0.000 1.007 306 Q CA -0.436 55.104 55.803 -0.438 0.000 0.727 306 Q CB 1.796 30.335 28.738 -0.332 0.000 1.256 306 Q HN 0.858 nan 8.270 nan 0.000 0.467 307 L N 2.793 123.825 121.223 -0.319 0.000 2.431 307 L HA 0.776 5.116 4.340 0.000 0.000 0.260 307 L C -1.132 175.655 176.870 -0.139 0.000 1.098 307 L CA -0.059 54.685 54.840 -0.159 0.000 0.800 307 L CB 1.883 43.853 42.059 -0.147 0.000 1.210 307 L HN 0.723 nan 8.230 nan 0.000 0.465 308 T N 1.444 115.991 114.554 -0.012 0.000 3.295 308 T HA 0.755 5.105 4.350 0.000 0.000 0.331 308 T C -1.046 173.722 174.700 0.112 0.000 1.142 308 T CA -0.359 61.752 62.100 0.019 0.000 1.078 308 T CB 1.347 70.225 68.868 0.016 0.000 1.150 308 T HN 0.867 nan 8.240 nan 0.000 0.465 309 A N 2.117 124.986 122.820 0.081 0.000 2.459 309 A HA 0.743 5.063 4.320 0.000 0.000 0.296 309 A C -0.356 177.268 177.584 0.067 0.000 1.039 309 A CA -0.775 51.339 52.037 0.128 0.000 0.698 309 A CB 2.066 21.145 19.000 0.131 0.000 1.261 309 A HN 0.770 nan 8.150 nan 0.000 0.405 310 Q N 1.373 121.211 119.800 0.063 0.000 2.286 310 Q HA 0.217 4.557 4.340 0.000 0.000 0.281 310 Q C 0.857 176.873 176.000 0.028 0.000 0.897 310 Q CA 0.166 55.989 55.803 0.034 0.000 1.023 310 Q CB 0.157 28.909 28.738 0.023 0.000 1.151 310 Q HN 0.938 nan 8.270 nan 0.000 0.445 311 T N -1.267 113.306 114.554 0.031 0.000 2.905 311 T HA 0.022 4.372 4.350 0.000 0.000 0.400 311 T C 0.452 175.157 174.700 0.008 0.000 1.098 311 T CA 0.114 62.226 62.100 0.020 0.000 1.095 311 T CB 0.321 69.195 68.868 0.011 0.000 1.281 311 T HN 0.469 nan 8.240 nan 0.000 0.515 312 S N 0.287 115.987 115.700 0.001 0.000 2.572 312 S HA 0.200 4.670 4.470 0.000 0.000 0.262 312 S C 1.500 176.097 174.600 -0.004 0.000 1.375 312 S CA 0.168 58.367 58.200 -0.003 0.000 0.996 312 S CB -0.277 62.918 63.200 -0.008 0.000 0.892 312 S HN 0.822 nan 8.310 nan 0.000 0.562 313 L N -1.124 120.097 121.223 -0.003 0.000 3.447 313 L HA -0.312 4.028 4.340 0.000 0.000 0.337 313 L C 0.939 177.810 176.870 0.001 0.000 4.145 313 L CA 1.657 56.496 54.840 -0.003 0.000 1.229 313 L CB -1.992 40.063 42.059 -0.008 0.000 3.307 313 L HN 1.068 nan 8.230 nan 0.000 0.751 314 G N -2.686 106.115 108.800 0.002 0.000 2.315 314 G HA2 0.426 4.386 3.960 0.000 0.000 0.294 314 G HA3 0.426 4.386 3.960 0.000 0.000 0.294 314 G C -3.139 171.767 174.900 0.009 0.000 1.300 314 G CA -0.084 45.020 45.100 0.006 0.000 0.843 314 G HN 0.024 nan 8.290 nan 0.000 0.527 315 P HA 0.360 nan 4.420 nan 0.000 0.274 315 P C 0.045 177.354 177.300 0.016 0.000 1.291 315 P CA 0.141 63.252 63.100 0.017 0.000 0.815 315 P CB 0.759 32.469 31.700 0.018 0.000 0.897 316 V N 1.197 121.117 119.914 0.011 0.000 2.347 316 V HA 0.469 4.589 4.120 0.000 0.000 0.280 316 V C 0.412 176.499 176.094 -0.010 0.000 1.021 316 V CA -0.798 61.505 62.300 0.005 0.000 0.847 316 V CB 1.102 32.921 31.823 -0.007 0.000 0.990 316 V HN 0.434 nan 8.190 nan 0.000 0.444 317 S N 3.275 118.970 115.700 -0.008 0.000 2.584 317 S HA 0.469 4.939 4.470 0.000 0.000 0.273 317 S C -0.544 174.001 174.600 -0.092 0.000 1.311 317 S CA -0.301 57.845 58.200 -0.090 0.000 1.034 317 S CB 0.687 63.858 63.200 -0.047 0.000 0.939 317 S HN 0.991 nan 8.310 nan 0.000 0.513 318 D N 1.050 121.277 120.400 -0.289 0.000 2.661 318 D HA 0.527 5.167 4.640 0.000 0.000 0.228 318 D C -1.516 174.580 176.300 -0.341 0.000 1.183 318 D CA -0.164 53.759 54.000 -0.128 0.000 0.844 318 D CB 1.560 42.340 40.800 -0.033 0.000 1.555 318 D HN 0.400 nan 8.370 nan 0.000 0.453 319 F N 0.732 120.723 119.950 0.067 0.000 2.643 319 F HA 0.593 5.120 4.527 0.000 0.000 0.314 319 F C -0.886 175.013 175.800 0.165 0.000 1.096 319 F CA -0.788 57.264 58.000 0.088 0.000 0.953 319 F CB 1.664 40.692 39.000 0.047 0.000 1.345 319 F HN 0.198 nan 8.300 nan 0.000 0.468 320 Y N -0.192 120.252 120.300 0.240 0.000 2.583 320 Y HA 0.458 5.008 4.550 0.000 0.000 0.330 320 Y C -0.965 175.011 175.900 0.128 0.000 1.185 320 Y CA -0.887 57.306 58.100 0.155 0.000 1.107 320 Y CB 1.622 40.147 38.460 0.108 0.000 1.344 320 Y HN 0.784 nan 8.280 nan 0.000 0.463 321 T N 5.100 119.724 114.554 0.116 0.000 2.916 321 T HA 0.821 5.171 4.350 0.000 0.000 0.292 321 T C -2.224 172.634 174.700 0.263 0.000 1.055 321 T CA -0.604 61.599 62.100 0.171 0.000 1.009 321 T CB 1.365 70.269 68.868 0.060 0.000 1.118 321 T HN 0.780 nan 8.240 nan 0.000 0.497 322 L N 3.681 125.038 121.223 0.224 0.000 2.543 322 L HA 0.557 4.897 4.340 0.000 0.000 0.265 322 L C -2.746 174.214 176.870 0.150 0.000 0.945 322 L CA -1.844 53.127 54.840 0.219 0.000 0.869 322 L CB 2.610 44.802 42.059 0.221 0.000 1.294 322 L HN 0.500 nan 8.230 nan 0.000 0.405 323 P HA 0.254 nan 4.420 nan 0.000 0.271 323 P C -1.451 175.919 177.300 0.116 0.000 1.218 323 P CA -0.211 62.969 63.100 0.134 0.000 0.780 323 P CB 1.061 32.836 31.700 0.125 0.000 0.901 324 V N 2.040 122.052 119.914 0.163 0.000 2.488 324 V HA 0.544 4.664 4.120 0.000 0.000 0.293 324 V C 0.480 176.669 176.094 0.159 0.000 1.027 324 V CA -0.766 61.615 62.300 0.134 0.000 0.862 324 V CB 1.529 33.443 31.823 0.152 0.000 1.008 324 V HN 0.689 nan 8.190 nan 0.000 0.428 325 G N 5.276 114.060 108.800 -0.028 0.000 2.339 325 G HA2 0.609 4.569 3.960 0.000 0.000 0.287 325 G HA3 0.609 4.569 3.960 0.000 0.000 0.287 325 G C -0.322 174.556 174.900 -0.036 0.000 1.163 325 G CA -0.468 44.603 45.100 -0.049 0.000 0.872 325 G HN 0.514 nan 8.290 nan 0.000 0.464 326 I N 2.169 122.773 120.570 0.056 0.000 2.395 326 I HA 0.508 4.678 4.170 0.000 0.000 0.289 326 I C 0.392 176.464 176.117 -0.076 0.000 1.023 326 I CA -0.279 61.030 61.300 0.016 0.000 1.350 326 I CB 0.787 38.828 38.000 0.069 0.000 1.409 326 I HN 0.796 nan 8.210 nan 0.000 0.507 327 R N 2.149 122.580 120.500 -0.115 0.000 3.197 327 R HA 0.358 4.698 4.340 0.000 0.000 0.261 327 R C -1.016 175.195 176.300 -0.148 0.000 1.015 327 R CA -0.883 55.115 56.100 -0.170 0.000 0.949 327 R CB 0.365 30.573 30.300 -0.154 0.000 1.256 327 R HN 0.578 nan 8.270 nan 0.000 0.514 328 T N -1.295 113.167 114.554 -0.154 0.000 2.829 328 T HA 0.507 4.857 4.350 0.000 0.000 0.282 328 T C -0.247 174.363 174.700 -0.149 0.000 0.990 328 T CA -0.755 61.270 62.100 -0.125 0.000 1.028 328 T CB 1.850 70.661 68.868 -0.096 0.000 0.951 328 T HN 0.696 nan 8.240 nan 0.000 0.460 329 V N 2.793 122.613 119.914 -0.156 0.000 2.225 329 V HA 0.722 4.842 4.120 0.000 0.000 0.264 329 V C 0.292 176.213 176.094 -0.289 0.000 1.067 329 V CA -0.432 61.727 62.300 -0.235 0.000 0.903 329 V CB -0.667 31.052 31.823 -0.173 0.000 1.136 329 V HN 1.329 nan 8.190 nan 0.000 0.456 330 A N 4.632 127.281 122.820 -0.283 0.000 2.301 330 A HA 0.913 5.233 4.320 0.000 0.000 0.287 330 A C -0.188 177.208 177.584 -0.313 0.000 1.274 330 A CA -0.155 51.752 52.037 -0.217 0.000 0.865 330 A CB 1.754 20.688 19.000 -0.111 0.000 1.324 330 A HN 1.671 nan 8.150 nan 0.000 0.508 331 V N -0.064 119.765 119.914 -0.142 0.000 2.781 331 V HA 0.453 4.573 4.120 0.000 0.000 0.289 331 V C 0.061 176.173 176.094 0.030 0.000 1.275 331 V CA 0.184 62.446 62.300 -0.063 0.000 0.936 331 V CB 1.422 33.225 31.823 -0.034 0.000 1.074 331 V HN 1.427 nan 8.190 nan 0.000 0.444 332 T N 3.820 118.419 114.554 0.075 0.000 2.914 332 T HA 0.375 4.725 4.350 0.000 0.000 0.313 332 T C 0.773 175.545 174.700 0.120 0.000 1.137 332 T CA 0.034 62.190 62.100 0.093 0.000 0.946 332 T CB 0.595 69.528 68.868 0.109 0.000 1.558 332 T HN 0.544 nan 8.240 nan 0.000 0.565 333 K N 0.072 120.550 120.400 0.130 0.000 2.367 333 K HA 0.243 4.563 4.320 0.000 0.000 0.194 333 K C 1.519 178.264 176.600 0.241 0.000 1.027 333 K CA 0.412 56.788 56.287 0.147 0.000 1.075 333 K CB 0.056 32.619 32.500 0.104 0.000 0.845 333 K HN 0.663 nan 8.250 nan 0.000 0.529 334 S N -1.145 114.694 115.700 0.231 0.000 2.911 334 S HA 0.151 4.621 4.470 0.000 0.000 0.261 334 S C -0.195 174.526 174.600 0.202 0.000 1.021 334 S CA -0.760 57.598 58.200 0.263 0.000 1.222 334 S CB -0.003 63.349 63.200 0.254 0.000 1.171 334 S HN 0.240 nan 8.310 nan 0.000 0.669 335 Q N -0.126 119.790 119.800 0.194 0.000 2.578 335 Q HA 0.528 4.868 4.340 0.000 0.000 0.284 335 Q C -2.054 174.110 176.000 0.272 0.000 0.960 335 Q CA -0.859 55.072 55.803 0.213 0.000 0.809 335 Q CB 0.573 29.423 28.738 0.185 0.000 1.462 335 Q HN 0.140 nan 8.270 nan 0.000 0.392 336 F N 2.162 122.214 119.950 0.170 0.000 2.405 336 F HA 0.495 5.022 4.527 0.000 0.000 0.355 336 F C -1.299 174.634 175.800 0.222 0.000 1.121 336 F CA -0.619 57.515 58.000 0.224 0.000 1.112 336 F CB 0.785 40.008 39.000 0.373 0.000 1.126 336 F HN 0.488 nan 8.300 nan 0.000 0.481 337 L N 7.090 128.294 121.223 -0.031 0.000 2.296 337 L HA 0.444 4.784 4.340 0.000 0.000 0.286 337 L C -0.643 176.190 176.870 -0.062 0.000 1.023 337 L CA -0.314 54.545 54.840 0.031 0.000 0.812 337 L CB 1.407 43.467 42.059 0.002 0.000 1.223 337 L HN 0.429 nan 8.230 nan 0.000 0.421 338 I N 4.440 125.052 120.570 0.069 0.000 2.420 338 I HA 0.262 4.432 4.170 0.000 0.000 0.282 338 I C -0.253 175.829 176.117 -0.059 0.000 1.019 338 I CA -0.336 60.939 61.300 -0.042 0.000 1.130 338 I CB 1.317 39.258 38.000 -0.098 0.000 1.262 338 I HN 0.706 nan 8.210 nan 0.000 0.454 339 N N 5.142 123.753 118.700 -0.148 0.000 2.754 339 N HA -0.201 4.539 4.740 0.000 0.000 0.248 339 N C 1.150 176.674 175.510 0.023 0.000 1.093 339 N CA 1.186 54.137 53.050 -0.165 0.000 0.699 339 N CB -1.139 37.038 38.487 -0.518 0.000 1.016 339 N HN 1.102 nan 8.380 nan 0.000 0.552 340 G N -1.154 107.667 108.800 0.035 0.000 2.377 340 G HA2 -0.413 3.547 3.960 0.000 0.000 0.250 340 G HA3 -0.413 3.547 3.960 0.000 0.000 0.250 340 G C 0.155 175.137 174.900 0.136 0.000 1.039 340 G CA 1.074 46.221 45.100 0.078 0.000 0.625 340 G HN 0.675 nan 8.290 nan 0.000 0.526 341 K N 3.285 123.816 120.400 0.217 0.000 2.312 341 K HA 0.507 4.827 4.320 0.000 0.000 0.287 341 K C -1.839 174.919 176.600 0.262 0.000 1.062 341 K CA -2.416 54.019 56.287 0.245 0.000 0.934 341 K CB 0.835 33.531 32.500 0.326 0.000 1.027 341 K HN 0.202 nan 8.250 nan 0.000 0.478 342 P HA -0.086 nan 4.420 nan 0.000 0.263 342 P C -0.796 176.715 177.300 0.352 0.000 1.175 342 P CA 0.117 63.372 63.100 0.257 0.000 0.761 342 P CB 0.290 32.102 31.700 0.188 0.000 0.794 343 F N 4.098 124.188 119.950 0.232 0.000 2.525 343 F HA 0.636 5.163 4.527 0.000 0.000 0.346 343 F C -1.012 174.910 175.800 0.204 0.000 1.072 343 F CA -0.992 57.127 58.000 0.197 0.000 1.033 343 F CB 1.318 40.451 39.000 0.221 0.000 1.324 343 F HN 0.261 nan 8.300 nan 0.000 0.491 344 Y N 2.708 122.269 120.300 -1.231 0.000 2.264 344 Y HA 0.351 4.901 4.550 0.000 0.000 0.321 344 Y C -1.925 173.278 175.900 -1.161 0.000 1.199 344 Y CA -1.860 55.775 58.100 -0.775 0.000 1.175 344 Y CB 0.056 38.307 38.460 -0.347 0.000 1.213 344 Y HN 0.381 nan 8.280 nan 0.000 0.414 345 F N 5.677 125.170 119.950 -0.762 0.000 2.543 345 F HA 0.294 4.821 4.527 0.000 0.000 0.375 345 F C 0.438 176.133 175.800 -0.174 0.000 1.075 345 F CA 0.334 58.050 58.000 -0.472 0.000 1.225 345 F CB 0.338 39.155 39.000 -0.306 0.000 1.099 345 F HN 0.556 nan 8.300 nan 0.000 0.561 346 H N 0.401 119.381 119.070 -0.149 0.000 2.488 346 H HA 0.674 5.230 4.556 0.000 0.000 0.237 346 H C -0.114 174.792 175.328 -0.704 0.000 1.395 346 H CA -0.862 54.920 56.048 -0.444 0.000 1.491 346 H CB 0.284 29.597 29.762 -0.748 0.000 1.567 346 H HN 0.613 nan 8.280 nan 0.000 0.508 347 G N 0.002 108.710 108.800 -0.152 0.000 3.340 347 G HA2 0.606 4.566 3.960 0.000 0.000 0.176 347 G HA3 0.606 4.566 3.960 0.000 0.000 0.176 347 G C -1.274 173.761 174.900 0.225 0.000 1.103 347 G CA -0.194 44.912 45.100 0.010 0.000 0.779 347 G HN 0.540 nan 8.290 nan 0.000 0.673 348 V N -0.571 119.458 119.914 0.191 0.000 3.181 348 V HA 0.615 4.736 4.120 0.000 0.000 0.307 348 V C -1.647 174.532 176.094 0.142 0.000 1.310 348 V CA -1.159 61.244 62.300 0.171 0.000 1.067 348 V CB 2.303 34.251 31.823 0.208 0.000 1.081 348 V HN 0.673 nan 8.190 nan 0.000 0.453 349 N N 2.182 120.921 118.700 0.065 0.000 2.342 349 N HA 0.508 5.248 4.740 0.000 0.000 0.293 349 N C -1.122 174.259 175.510 -0.216 0.000 1.026 349 N CA -0.655 52.406 53.050 0.018 0.000 0.857 349 N CB 2.518 41.104 38.487 0.165 0.000 1.256 349 N HN 0.558 nan 8.380 nan 0.000 0.484 350 K N 0.724 120.992 120.400 -0.221 0.000 2.359 350 K HA 0.548 4.868 4.320 0.000 0.000 0.261 350 K C -0.923 175.491 176.600 -0.310 0.000 1.050 350 K CA -0.572 55.532 56.287 -0.305 0.000 1.053 350 K CB 1.020 33.201 32.500 -0.532 0.000 1.492 350 K HN 0.490 nan 8.250 nan 0.000 0.640 351 H N -0.723 118.180 119.070 -0.279 0.000 2.987 351 H HA 0.106 4.662 4.556 0.000 0.000 0.316 351 H C -1.735 173.389 175.328 -0.339 0.000 1.380 351 H CA -0.533 55.315 56.048 -0.333 0.000 1.160 351 H CB 1.824 31.276 29.762 -0.518 0.000 1.865 351 H HN 0.446 nan 8.280 nan 0.000 0.521 352 E N 1.487 121.622 120.200 -0.107 0.000 2.373 352 E HA 0.214 4.564 4.350 0.000 0.000 0.233 352 E C -1.499 175.093 176.600 -0.014 0.000 1.035 352 E CA -0.228 56.064 56.400 -0.181 0.000 0.930 352 E CB 0.371 29.937 29.700 -0.223 0.000 1.278 352 E HN 0.404 nan 8.360 nan 0.000 0.452 353 D N 1.522 121.923 120.400 0.001 0.000 2.936 353 D HA 0.603 5.243 4.640 0.000 0.000 0.238 353 D C -1.446 174.853 176.300 -0.002 0.000 1.248 353 D CA -0.424 53.604 54.000 0.047 0.000 0.903 353 D CB 1.262 42.190 40.800 0.212 0.000 1.544 353 D HN 0.312 nan 8.370 nan 0.000 0.543 354 A N 2.989 125.769 122.820 -0.066 0.000 2.530 354 A HA 0.553 4.873 4.320 0.000 0.000 0.288 354 A C -0.885 176.660 177.584 -0.066 0.000 1.172 354 A CA -0.826 51.175 52.037 -0.060 0.000 0.733 354 A CB 1.338 20.285 19.000 -0.088 0.000 1.320 354 A HN 0.581 nan 8.150 nan 0.000 0.419 355 D N -0.432 119.939 120.400 -0.048 0.000 2.362 355 D HA 0.388 5.028 4.640 0.000 0.000 0.242 355 D C 0.807 177.070 176.300 -0.062 0.000 1.132 355 D CA 0.607 54.581 54.000 -0.043 0.000 0.907 355 D CB 0.916 41.697 40.800 -0.031 0.000 1.195 355 D HN 0.443 nan 8.370 nan 0.000 0.429 356 I N 0.585 121.121 120.570 -0.057 0.000 4.588 356 I HA -0.478 3.692 4.170 0.000 0.000 0.053 356 I C 2.106 178.169 176.117 -0.090 0.000 0.617 356 I CA 2.397 63.661 61.300 -0.059 0.000 0.853 356 I CB -1.082 36.892 38.000 -0.043 0.000 0.779 356 I HN 0.620 nan 8.210 nan 0.000 0.163 357 R N 2.135 122.573 120.500 -0.103 0.000 2.235 357 R HA 0.298 4.638 4.340 0.000 0.000 0.213 357 R C 1.592 177.752 176.300 -0.233 0.000 1.059 357 R CA 1.042 57.068 56.100 -0.124 0.000 0.997 357 R CB -0.548 29.698 30.300 -0.089 0.000 0.884 357 R HN 0.842 nan 8.270 nan 0.000 0.462 358 G N 2.191 110.786 108.800 -0.341 0.000 2.651 358 G HA2 -0.406 3.554 3.960 0.000 0.000 0.315 358 G HA3 -0.406 3.554 3.960 0.000 0.000 0.315 358 G C 0.585 175.207 174.900 -0.463 0.000 1.258 358 G CA 0.634 45.301 45.100 -0.723 0.000 1.002 358 G HN 0.241 nan 8.290 nan 0.000 0.551 359 K N 2.345 122.447 120.400 -0.498 0.000 2.362 359 K HA -0.040 4.280 4.320 0.000 0.000 0.202 359 K C 1.963 178.505 176.600 -0.097 0.000 1.045 359 K CA 1.017 57.204 56.287 -0.167 0.000 0.936 359 K CB -1.263 31.224 32.500 -0.022 0.000 0.747 359 K HN 0.973 nan 8.250 nan 0.000 0.467 360 G N 1.101 109.834 108.800 -0.112 0.000 2.765 360 G HA2 -0.054 3.906 3.960 0.000 0.000 0.230 360 G HA3 -0.054 3.906 3.960 0.000 0.000 0.230 360 G C -0.551 174.344 174.900 -0.007 0.000 1.238 360 G CA -0.215 44.862 45.100 -0.039 0.000 0.854 360 G HN 0.200 nan 8.290 nan 0.000 0.579 361 F N 1.186 121.055 119.950 -0.135 0.000 2.520 361 F HA 0.590 5.117 4.527 0.000 0.000 0.322 361 F C -0.484 175.194 175.800 -0.202 0.000 1.103 361 F CA -0.979 56.910 58.000 -0.185 0.000 0.926 361 F CB 2.275 41.146 39.000 -0.215 0.000 1.154 361 F HN 0.778 nan 8.300 nan 0.000 0.453 362 D N 2.741 122.583 120.400 -0.929 0.000 2.663 362 D HA 0.138 4.778 4.640 0.000 0.000 0.233 362 D C -0.325 175.556 176.300 -0.698 0.000 1.240 362 D CA -0.738 52.899 54.000 -0.605 0.000 0.774 362 D CB 0.374 41.082 40.800 -0.153 0.000 1.443 362 D HN 0.468 nan 8.370 nan 0.000 0.441 363 W N -0.338 120.794 121.300 -0.279 0.000 2.467 363 W HA 0.051 4.711 4.660 0.000 0.000 0.275 363 W C -1.325 175.114 176.519 -0.134 0.000 1.239 363 W CA 0.702 57.934 57.345 -0.188 0.000 1.266 363 W CB -1.422 28.009 29.460 -0.047 0.000 1.112 363 W HN 0.445 nan 8.180 nan 0.000 0.576 364 P HA -0.182 nan 4.420 nan 0.000 0.214 364 P C 1.864 179.157 177.300 -0.012 0.000 1.163 364 P CA 1.841 64.967 63.100 0.043 0.000 0.883 364 P CB -0.307 31.408 31.700 0.025 0.000 0.788 365 L N -1.867 119.314 121.223 -0.070 0.000 2.156 365 L HA -0.107 4.233 4.340 0.000 0.000 0.208 365 L C 2.510 179.324 176.870 -0.093 0.000 1.095 365 L CA 0.804 55.590 54.840 -0.091 0.000 0.770 365 L CB -0.822 41.161 42.059 -0.126 0.000 0.914 365 L HN -0.041 nan 8.230 nan 0.000 0.439 366 L N -0.541 120.601 121.223 -0.134 0.000 1.994 366 L HA -0.209 4.131 4.340 0.000 0.000 0.208 366 L C 2.463 179.386 176.870 0.089 0.000 1.071 366 L CA 1.226 56.019 54.840 -0.078 0.000 0.745 366 L CB -0.075 41.850 42.059 -0.223 0.000 0.892 366 L HN -0.011 nan 8.230 nan 0.000 0.431 367 V N -0.431 119.530 119.914 0.078 0.000 2.427 367 V HA -0.261 3.859 4.120 0.000 0.000 0.248 367 V C 2.499 178.636 176.094 0.073 0.000 1.051 367 V CA 1.788 64.146 62.300 0.097 0.000 1.048 367 V CB -0.649 31.229 31.823 0.091 0.000 0.666 367 V HN 0.388 nan 8.190 nan 0.000 0.456 368 K N 0.948 121.361 120.400 0.022 0.000 2.032 368 K HA -0.204 4.116 4.320 0.000 0.000 0.209 368 K C 1.740 178.324 176.600 -0.027 0.000 1.048 368 K CA 1.924 58.199 56.287 -0.020 0.000 0.927 368 K CB -0.753 31.718 32.500 -0.049 0.000 0.712 368 K HN 0.429 nan 8.250 nan 0.000 0.441 369 D N -0.476 119.905 120.400 -0.031 0.000 2.104 369 D HA -0.145 4.495 4.640 0.000 0.000 0.194 369 D C 1.698 177.862 176.300 -0.226 0.000 0.994 369 D CA 1.199 55.127 54.000 -0.120 0.000 0.830 369 D CB -0.308 40.330 40.800 -0.270 0.000 0.959 369 D HN 0.203 nan 8.370 nan 0.000 0.452 370 F N 0.924 120.726 119.950 -0.247 0.000 2.451 370 F HA -0.052 4.475 4.527 0.000 0.000 0.299 370 F C 2.202 177.885 175.800 -0.195 0.000 1.101 370 F CA 0.588 58.391 58.000 -0.328 0.000 1.436 370 F CB -0.128 38.543 39.000 -0.550 0.000 1.074 370 F HN -0.025 nan 8.300 nan 0.000 0.553 371 N N 0.087 118.818 118.700 0.051 0.000 2.207 371 N HA -0.049 4.691 4.740 0.000 0.000 0.182 371 N C 1.957 177.556 175.510 0.149 0.000 1.020 371 N CA 0.993 54.092 53.050 0.082 0.000 0.858 371 N CB -0.318 38.192 38.487 0.039 0.000 0.991 371 N HN 0.281 nan 8.380 nan 0.000 0.427 372 L N 0.468 121.754 121.223 0.105 0.000 2.156 372 L HA -0.087 4.253 4.340 0.000 0.000 0.208 372 L C 2.138 179.274 176.870 0.443 0.000 1.095 372 L CA 0.356 55.328 54.840 0.219 0.000 0.770 372 L CB -0.259 41.673 42.059 -0.211 0.000 0.914 372 L HN 0.072 nan 8.230 nan 0.000 0.439 373 L N -0.002 121.366 121.223 0.241 0.000 1.994 373 L HA -0.190 4.150 4.340 0.000 0.000 0.208 373 L C 2.755 179.748 176.870 0.204 0.000 1.071 373 L CA 1.744 56.654 54.840 0.116 0.000 0.745 373 L CB -0.696 41.170 42.059 -0.322 0.000 0.892 373 L HN 0.182 nan 8.230 nan 0.000 0.431 374 R N -1.893 118.719 120.500 0.186 0.000 2.115 374 R HA -0.230 4.110 4.340 0.000 0.000 0.226 374 R C 2.289 178.870 176.300 0.469 0.000 1.100 374 R CA 1.251 57.514 56.100 0.273 0.000 0.980 374 R CB -0.506 29.779 30.300 -0.024 0.000 0.875 374 R HN 0.469 nan 8.270 nan 0.000 0.445 375 W N 1.361 122.836 121.300 0.292 0.000 2.333 375 W HA -0.185 4.475 4.660 0.000 0.000 0.316 375 W C 1.581 178.397 176.519 0.493 0.000 1.215 375 W CA 1.400 58.956 57.345 0.352 0.000 1.278 375 W CB -0.586 28.977 29.460 0.171 0.000 1.154 375 W HN 0.027 nan 8.180 nan 0.000 0.486 376 L N 0.251 121.503 121.223 0.048 0.000 2.201 376 L HA 0.014 4.354 4.340 0.000 0.000 0.212 376 L C 1.973 178.871 176.870 0.047 0.000 1.105 376 L CA 1.495 56.273 54.840 -0.103 0.000 0.775 376 L CB -1.008 41.157 42.059 0.177 0.000 0.913 376 L HN 0.402 nan 8.230 nan 0.000 0.440 377 G N -0.641 108.150 108.800 -0.014 0.000 2.134 377 G HA2 -0.207 3.753 3.960 0.000 0.000 0.209 377 G HA3 -0.207 3.753 3.960 0.000 0.000 0.209 377 G C 0.270 175.123 174.900 -0.077 0.000 0.993 377 G CA -0.104 44.715 45.100 -0.468 0.000 0.669 377 G HN 0.490 nan 8.290 nan 0.000 0.519 378 A N 0.992 123.892 122.820 0.133 0.000 2.438 378 A HA 0.540 4.860 4.320 0.000 0.000 0.280 378 A C 1.092 178.647 177.584 -0.048 0.000 1.160 378 A CA 0.535 52.600 52.037 0.045 0.000 0.821 378 A CB 0.041 19.155 19.000 0.190 0.000 1.101 378 A HN 1.019 nan 8.150 nan 0.000 0.515 379 N N 2.039 120.555 118.700 -0.307 0.000 2.380 379 N HA 0.436 5.176 4.740 0.000 0.000 0.255 379 N C -0.414 174.992 175.510 -0.172 0.000 1.158 379 N CA 0.585 53.490 53.050 -0.241 0.000 0.878 379 N CB 0.467 38.712 38.487 -0.403 0.000 1.138 379 N HN 0.774 nan 8.380 nan 0.000 0.509 380 A N 0.108 122.877 122.820 -0.085 0.000 2.583 380 A HA 0.635 4.955 4.320 0.000 0.000 0.292 380 A C -2.046 175.629 177.584 0.151 0.000 1.045 380 A CA -0.824 51.232 52.037 0.031 0.000 0.672 380 A CB 0.830 19.865 19.000 0.059 0.000 1.283 380 A HN 0.421 nan 8.150 nan 0.000 0.419 381 F N 0.149 120.080 119.950 -0.031 0.000 2.704 381 F HA 0.722 5.249 4.527 0.000 0.000 0.312 381 F C -1.181 174.537 175.800 -0.136 0.000 1.108 381 F CA -0.477 57.460 58.000 -0.105 0.000 1.005 381 F CB 0.954 39.830 39.000 -0.208 0.000 1.277 381 F HN 0.901 nan 8.300 nan 0.000 0.445 382 R N 2.096 122.513 120.500 -0.137 0.000 2.486 382 R HA 0.575 4.915 4.340 0.000 0.000 0.286 382 R C -0.319 175.696 176.300 -0.475 0.000 0.999 382 R CA 0.083 55.968 56.100 -0.360 0.000 0.993 382 R CB 1.551 31.764 30.300 -0.145 0.000 1.084 382 R HN 0.907 nan 8.270 nan 0.000 0.487 383 T N 1.125 115.248 114.554 -0.719 0.000 4.058 383 T HA 0.106 4.456 4.350 0.000 0.000 0.252 383 T C -0.109 174.101 174.700 -0.817 0.000 1.264 383 T CA -0.523 60.972 62.100 -1.008 0.000 1.094 383 T CB -0.242 67.949 68.868 -1.128 0.000 1.316 383 T HN 0.499 nan 8.240 nan 0.000 0.872 384 S N 3.820 119.151 115.700 -0.616 0.000 3.959 384 S HA -0.116 4.354 4.470 0.000 0.000 0.473 384 S C 0.592 174.490 174.600 -1.171 0.000 1.041 384 S CA 0.436 58.161 58.200 -0.792 0.000 1.364 384 S CB -0.808 61.888 63.200 -0.841 0.000 0.851 384 S HN 0.937 nan 8.310 nan 0.000 0.543 385 H N -0.904 117.883 119.070 -0.472 0.000 3.415 385 H HA -0.197 4.359 4.556 0.000 0.000 0.213 385 H C -0.305 174.880 175.328 -0.238 0.000 1.091 385 H CA 1.918 57.795 56.048 -0.284 0.000 1.182 385 H CB -2.846 26.853 29.762 -0.105 0.000 1.160 385 H HN 0.885 nan 8.280 nan 0.000 0.319 386 Y N -5.517 114.710 120.300 -0.122 0.000 2.810 386 Y HA 0.644 5.194 4.550 0.000 0.000 0.355 386 Y C -3.351 172.533 175.900 -0.027 0.000 1.211 386 Y CA -2.811 55.212 58.100 -0.129 0.000 1.112 386 Y CB 0.457 38.569 38.460 -0.580 0.000 1.383 386 Y HN -0.220 nan 8.280 nan 0.000 0.458 387 P HA 0.257 nan 4.420 nan 0.000 0.292 387 P C -0.577 177.027 177.300 0.507 0.000 1.287 387 P CA 0.084 63.325 63.100 0.236 0.000 0.800 387 P CB 0.617 32.455 31.700 0.231 0.000 0.945 388 Y N 1.991 122.389 120.300 0.164 0.000 2.804 388 Y HA 0.472 5.022 4.550 0.000 0.000 0.480 388 Y C 1.556 177.542 175.900 0.143 0.000 1.449 388 Y CA -0.834 57.388 58.100 0.204 0.000 2.066 388 Y CB -0.877 37.678 38.460 0.159 0.000 1.795 388 Y HN 0.337 nan 8.280 nan 0.000 0.662 389 A N -0.205 122.792 122.820 0.296 0.000 3.791 389 A HA 0.312 4.632 4.320 0.000 0.000 0.159 389 A C 0.556 178.187 177.584 0.079 0.000 1.359 389 A CA -0.186 51.910 52.037 0.099 0.000 0.899 389 A CB -0.200 18.857 19.000 0.094 0.000 1.642 389 A HN 0.602 nan 8.150 nan 0.000 0.612 390 E N 1.024 121.223 120.200 -0.002 0.000 2.352 390 E HA -0.052 4.298 4.350 0.000 0.000 0.197 390 E C -0.093 176.572 176.600 0.108 0.000 1.224 390 E CA 0.338 56.728 56.400 -0.016 0.000 1.118 390 E CB -0.325 29.314 29.700 -0.102 0.000 1.198 390 E HN 0.657 nan 8.360 nan 0.000 0.454 391 E N 0.851 121.165 120.200 0.190 0.000 2.230 391 E HA -0.071 4.279 4.350 0.000 0.000 0.192 391 E C 2.152 178.860 176.600 0.179 0.000 0.987 391 E CA 0.746 57.308 56.400 0.270 0.000 0.841 391 E CB -0.411 29.604 29.700 0.526 0.000 0.783 391 E HN 0.255 nan 8.360 nan 0.000 0.481 392 V N 1.239 121.164 119.914 0.019 0.000 2.407 392 V HA -0.258 3.862 4.120 0.000 0.000 0.248 392 V C 2.564 178.518 176.094 -0.234 0.000 1.055 392 V CA 1.787 63.950 62.300 -0.230 0.000 1.049 392 V CB -0.878 30.577 31.823 -0.615 0.000 0.662 392 V HN 0.128 nan 8.190 nan 0.000 0.455 393 M N -0.629 118.899 119.600 -0.120 0.000 2.159 393 M HA -0.176 4.304 4.480 0.000 0.000 0.263 393 M C 2.505 178.856 176.300 0.084 0.000 1.063 393 M CA 1.675 56.998 55.300 0.039 0.000 1.110 393 M CB -0.421 32.224 32.600 0.075 0.000 1.374 393 M HN 0.347 nan 8.290 nan 0.000 0.411 394 Q N -0.173 119.646 119.800 0.032 0.000 2.079 394 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 394 Q C 1.998 178.120 176.000 0.204 0.000 0.974 394 Q CA 1.492 57.272 55.803 -0.037 0.000 0.840 394 Q CB -0.259 28.104 28.738 -0.626 0.000 0.898 394 Q HN 0.489 nan 8.270 nan 0.000 0.430 395 M N -0.202 119.569 119.600 0.284 0.000 2.117 395 M HA -0.181 4.299 4.480 0.000 0.000 0.262 395 M C 2.427 179.021 176.300 0.491 0.000 1.065 395 M CA 1.406 56.980 55.300 0.457 0.000 1.114 395 M CB -0.745 32.062 32.600 0.344 0.000 1.361 395 M HN 0.219 nan 8.290 nan 0.000 0.408 396 C N -0.695 118.827 119.300 0.371 0.000 2.462 396 C HA -0.065 4.395 4.460 0.000 0.000 0.278 396 C C 1.323 176.565 174.990 0.420 0.000 1.253 396 C CA -0.745 58.535 59.018 0.437 0.000 1.713 396 C CB -1.179 26.690 27.740 0.215 0.000 2.049 396 C HN 0.452 nan 8.230 nan 0.000 0.477 397 D N 1.206 121.755 120.400 0.250 0.000 2.571 397 D HA -0.040 4.600 4.640 0.000 0.000 0.231 397 D C 1.029 177.282 176.300 -0.078 0.000 1.133 397 D CA 0.160 54.213 54.000 0.088 0.000 0.862 397 D CB 0.295 41.131 40.800 0.059 0.000 1.179 397 D HN 0.508 nan 8.370 nan 0.000 0.474 398 R N 2.053 122.408 120.500 -0.241 0.000 1.374 398 R HA -0.277 4.063 4.340 0.000 0.000 0.165 398 R C -0.148 175.836 176.300 -0.526 0.000 0.469 398 R CA 1.347 57.218 56.100 -0.381 0.000 0.287 398 R CB -1.236 28.802 30.300 -0.438 0.000 1.682 398 R HN 0.471 nan 8.270 nan 0.000 0.588 399 Y N -0.858 119.452 120.300 0.016 0.000 2.972 399 Y HA 0.336 4.886 4.550 0.000 0.000 0.229 399 Y C 1.753 177.647 175.900 -0.009 0.000 0.980 399 Y CA 0.226 58.330 58.100 0.006 0.000 1.475 399 Y CB -0.022 38.509 38.460 0.118 0.000 1.459 399 Y HN 0.257 nan 8.280 nan 0.000 0.460 400 G N 1.259 110.137 108.800 0.131 0.000 2.467 400 G HA2 -0.208 3.752 3.960 0.000 0.000 0.242 400 G HA3 -0.208 3.752 3.960 0.000 0.000 0.242 400 G C -0.599 174.278 174.900 -0.037 0.000 1.127 400 G CA -0.195 44.735 45.100 -0.283 0.000 0.924 400 G HN 0.235 nan 8.290 nan 0.000 0.499 401 I N 1.548 122.225 120.570 0.179 0.000 2.371 401 I HA 0.278 4.448 4.170 0.000 0.000 0.282 401 I C 1.084 177.312 176.117 0.185 0.000 1.031 401 I CA -1.163 60.245 61.300 0.181 0.000 1.180 401 I CB 1.638 39.788 38.000 0.250 0.000 1.336 401 I HN 0.290 nan 8.210 nan 0.000 0.467 402 V N 6.493 126.456 119.914 0.081 0.000 2.409 402 V HA 0.215 4.335 4.120 0.000 0.000 0.270 402 V C 0.192 176.280 176.094 -0.011 0.000 1.019 402 V CA -0.225 62.101 62.300 0.044 0.000 1.066 402 V CB 0.338 32.012 31.823 -0.248 0.000 1.021 402 V HN 0.340 nan 8.190 nan 0.000 0.476 403 V N 5.980 125.843 119.914 -0.084 0.000 2.863 403 V HA 0.480 4.600 4.120 0.000 0.000 0.307 403 V C 0.406 176.356 176.094 -0.239 0.000 1.061 403 V CA -0.663 61.461 62.300 -0.293 0.000 1.024 403 V CB 1.851 33.404 31.823 -0.451 0.000 1.049 403 V HN 0.824 nan 8.190 nan 0.000 0.471 404 I N 2.009 122.376 120.570 -0.338 0.000 2.405 404 I HA 0.242 4.412 4.170 0.000 0.000 0.280 404 I C -0.248 175.647 176.117 -0.370 0.000 1.027 404 I CA -0.332 60.800 61.300 -0.280 0.000 1.161 404 I CB 1.143 39.003 38.000 -0.233 0.000 1.300 404 I HN 0.568 nan 8.210 nan 0.000 0.463 405 D N 7.092 127.242 120.400 -0.417 0.000 2.363 405 D HA 0.005 4.645 4.640 0.000 0.000 0.263 405 D C -0.200 176.018 176.300 -0.137 0.000 1.258 405 D CA 0.587 54.360 54.000 -0.378 0.000 0.907 405 D CB 0.772 41.194 40.800 -0.629 0.000 1.107 405 D HN 0.502 nan 8.370 nan 0.000 0.495 406 E N 3.478 123.586 120.200 -0.154 0.000 2.129 406 E HA 0.187 4.537 4.350 0.000 0.000 0.268 406 E C -0.507 176.109 176.600 0.027 0.000 0.900 406 E CA -0.814 55.566 56.400 -0.034 0.000 0.755 406 E CB 1.233 30.883 29.700 -0.083 0.000 1.117 406 E HN 0.462 nan 8.360 nan 0.000 0.410 407 C N 6.462 125.832 119.300 0.118 0.000 2.705 407 C HA 0.346 4.806 4.460 0.000 0.000 0.382 407 C C -1.403 173.637 174.990 0.083 0.000 1.322 407 C CA -1.613 57.465 59.018 0.098 0.000 2.290 407 C CB 0.106 27.883 27.740 0.062 0.000 2.650 407 C HN 0.722 nan 8.230 nan 0.000 0.695 408 P HA 0.193 nan 4.420 nan 0.000 0.298 408 P C 0.266 177.600 177.300 0.057 0.000 1.404 408 P CA 1.587 64.747 63.100 0.101 0.000 0.795 408 P CB -0.300 31.482 31.700 0.138 0.000 1.842 409 G N -1.017 107.787 108.800 0.006 0.000 2.392 409 G HA2 -0.124 3.836 3.960 0.000 0.000 0.290 409 G HA3 -0.124 3.836 3.960 0.000 0.000 0.290 409 G C 0.254 175.222 174.900 0.114 0.000 1.032 409 G CA 0.136 45.273 45.100 0.062 0.000 1.269 409 G HN 0.512 nan 8.290 nan 0.000 0.511 410 V N 0.884 120.846 119.914 0.080 0.000 2.996 410 V HA 0.516 4.636 4.120 0.000 0.000 0.235 410 V C 2.182 178.383 176.094 0.179 0.000 1.205 410 V CA 1.985 64.346 62.300 0.102 0.000 1.225 410 V CB 0.028 31.886 31.823 0.058 0.000 0.995 410 V HN 1.172 nan 8.190 nan 0.000 0.484 411 G N 1.448 110.393 108.800 0.241 0.000 3.356 411 G HA2 0.159 4.119 3.960 0.000 0.000 0.239 411 G HA3 0.159 4.119 3.960 0.000 0.000 0.239 411 G C 0.444 175.527 174.900 0.306 0.000 1.252 411 G CA -0.217 45.106 45.100 0.372 0.000 1.611 411 G HN 0.497 nan 8.290 nan 0.000 0.580 412 L N 1.181 122.541 121.223 0.230 0.000 2.533 412 L HA 0.247 4.587 4.340 0.000 0.000 0.239 412 L C 1.860 178.946 176.870 0.359 0.000 1.376 412 L CA -0.535 54.454 54.840 0.249 0.000 1.240 412 L CB 0.267 42.354 42.059 0.048 0.000 1.487 412 L HN 0.313 nan 8.230 nan 0.000 0.419 413 A N 0.858 123.854 122.820 0.294 0.000 1.850 413 A HA 0.135 4.455 4.320 0.000 0.000 0.212 413 A C 0.873 178.379 177.584 -0.130 0.000 1.208 413 A CA 0.569 52.627 52.037 0.035 0.000 0.609 413 A CB 0.004 18.892 19.000 -0.186 0.000 0.860 413 A HN 0.321 nan 8.150 nan 0.000 0.448 414 L N 0.296 121.213 121.223 -0.510 0.000 2.395 414 L HA 0.271 4.611 4.340 0.000 0.000 0.269 414 L C -1.405 175.326 176.870 -0.233 0.000 1.133 414 L CA -1.767 52.703 54.840 -0.616 0.000 0.812 414 L CB 0.222 41.578 42.059 -1.171 0.000 1.125 414 L HN 0.133 nan 8.230 nan 0.000 0.452 415 P HA -0.107 nan 4.420 nan 0.000 0.233 415 P C 0.790 178.192 177.300 0.169 0.000 1.167 415 P CA 0.669 63.824 63.100 0.092 0.000 0.770 415 P CB 0.508 32.171 31.700 -0.061 0.000 0.837 416 Q N -0.403 119.350 119.800 -0.079 0.000 2.084 416 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 416 Q C 1.415 177.513 176.000 0.162 0.000 0.978 416 Q CA 1.408 57.194 55.803 -0.028 0.000 0.844 416 Q CB -1.033 27.588 28.738 -0.195 0.000 0.898 416 Q HN 0.250 nan 8.270 nan 0.000 0.426 417 F N -1.098 118.858 119.950 0.011 0.000 2.802 417 F HA 0.037 4.564 4.527 0.000 0.000 0.302 417 F C 0.370 175.877 175.800 -0.490 0.000 1.211 417 F CA -0.080 57.795 58.000 -0.208 0.000 1.431 417 F CB -0.746 38.068 39.000 -0.310 0.000 1.114 417 F HN 0.005 nan 8.300 nan 0.000 0.567 418 F N -0.218 119.841 119.950 0.181 0.000 2.668 418 F HA 0.185 4.712 4.527 0.000 0.000 0.301 418 F C 0.778 176.708 175.800 0.216 0.000 1.106 418 F CA -1.200 56.907 58.000 0.178 0.000 1.289 418 F CB -0.851 38.192 39.000 0.071 0.000 1.006 418 F HN -0.085 nan 8.300 nan 0.000 0.535 419 N N -0.901 117.945 118.700 0.242 0.000 2.399 419 N HA 0.003 4.743 4.740 0.000 0.000 0.250 419 N C 0.542 176.164 175.510 0.186 0.000 1.272 419 N CA -0.146 53.021 53.050 0.194 0.000 0.928 419 N CB 0.280 38.855 38.487 0.147 0.000 1.158 419 N HN 0.046 nan 8.380 nan 0.000 0.463 420 N N -0.511 118.273 118.700 0.140 0.000 2.120 420 N HA -0.162 4.578 4.740 0.000 0.000 0.188 420 N C 1.272 176.856 175.510 0.124 0.000 1.024 420 N CA 1.365 54.481 53.050 0.111 0.000 0.852 420 N CB -0.144 38.387 38.487 0.074 0.000 1.003 420 N HN 0.322 nan 8.380 nan 0.000 0.424 421 V N 0.473 120.462 119.914 0.126 0.000 2.231 421 V HA -0.308 3.812 4.120 0.000 0.000 0.250 421 V C 2.135 178.331 176.094 0.169 0.000 1.058 421 V CA 1.988 64.375 62.300 0.146 0.000 1.022 421 V CB -0.841 31.049 31.823 0.113 0.000 0.640 421 V HN 0.321 nan 8.190 nan 0.000 0.445 422 S N -0.129 115.665 115.700 0.158 0.000 2.406 422 S HA -0.017 4.453 4.470 0.000 0.000 0.228 422 S C 1.926 176.617 174.600 0.152 0.000 1.020 422 S CA 1.138 59.440 58.200 0.169 0.000 0.965 422 S CB -0.338 62.941 63.200 0.132 0.000 0.798 422 S HN 0.527 nan 8.310 nan 0.000 0.488 423 L N 1.796 123.070 121.223 0.085 0.000 2.079 423 L HA -0.190 4.150 4.340 0.000 0.000 0.210 423 L C 2.206 178.989 176.870 -0.145 0.000 1.081 423 L CA 2.427 57.095 54.840 -0.288 0.000 0.752 423 L CB -0.942 40.967 42.059 -0.250 0.000 0.896 423 L HN 0.383 nan 8.230 nan 0.000 0.433 424 H N -1.001 118.031 119.070 -0.063 0.000 2.395 424 H HA -0.182 4.374 4.556 0.000 0.000 0.299 424 H C 2.361 177.709 175.328 0.033 0.000 1.070 424 H CA 1.979 58.010 56.048 -0.029 0.000 1.356 424 H CB -0.278 29.474 29.762 -0.016 0.000 1.401 424 H HN 0.465 nan 8.280 nan 0.000 0.524 425 H N -0.134 118.798 119.070 -0.231 0.000 2.321 425 H HA -0.153 4.403 4.556 0.000 0.000 0.300 425 H C 2.150 177.376 175.328 -0.169 0.000 1.087 425 H CA 2.252 58.146 56.048 -0.257 0.000 1.319 425 H CB -0.764 28.917 29.762 -0.135 0.000 1.379 425 H HN 0.642 nan 8.280 nan 0.000 0.501 426 H N -0.526 118.524 119.070 -0.033 0.000 2.319 426 H HA -0.151 4.405 4.556 0.000 0.000 0.299 426 H C 2.641 177.898 175.328 -0.118 0.000 1.092 426 H CA 2.069 58.071 56.048 -0.078 0.000 1.302 426 H CB -0.162 29.597 29.762 -0.004 0.000 1.373 426 H HN 0.321 nan 8.280 nan 0.000 0.497 427 M N 0.286 119.906 119.600 0.034 0.000 2.108 427 M HA -0.295 4.185 4.480 0.000 0.000 0.257 427 M C 2.491 178.672 176.300 -0.197 0.000 1.071 427 M CA 2.194 57.436 55.300 -0.096 0.000 1.093 427 M CB -0.145 32.454 32.600 -0.002 0.000 1.345 427 M HN 0.509 nan 8.290 nan 0.000 0.403 428 Q N -0.282 119.414 119.800 -0.174 0.000 2.046 428 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 428 Q C 1.900 177.808 176.000 -0.152 0.000 0.975 428 Q CA 2.348 58.042 55.803 -0.182 0.000 0.836 428 Q CB -0.329 28.267 28.738 -0.237 0.000 0.896 428 Q HN 0.623 nan 8.270 nan 0.000 0.428 429 V N -1.078 118.766 119.914 -0.117 0.000 2.392 429 V HA -0.230 3.890 4.120 0.000 0.000 0.249 429 V C 2.285 178.287 176.094 -0.152 0.000 1.059 429 V CA 1.521 63.747 62.300 -0.123 0.000 1.051 429 V CB -0.767 30.966 31.823 -0.150 0.000 0.658 429 V HN 0.290 nan 8.190 nan 0.000 0.455 430 M N 0.310 119.794 119.600 -0.193 0.000 2.446 430 M HA -0.094 4.386 4.480 0.000 0.000 0.263 430 M C 1.993 178.118 176.300 -0.292 0.000 1.066 430 M CA 1.581 56.740 55.300 -0.236 0.000 1.087 430 M CB -1.207 31.253 32.600 -0.233 0.000 1.406 430 M HN 0.613 nan 8.290 nan 0.000 0.459 431 E N -0.046 120.004 120.200 -0.250 0.000 2.016 431 E HA -0.139 4.211 4.350 0.000 0.000 0.190 431 E C 1.928 178.449 176.600 -0.132 0.000 0.985 431 E CA 0.999 57.287 56.400 -0.186 0.000 0.802 431 E CB -0.053 29.569 29.700 -0.131 0.000 0.762 431 E HN 0.508 nan 8.360 nan 0.000 0.448 432 E N 0.491 120.636 120.200 -0.092 0.000 2.086 432 E HA -0.220 4.130 4.350 0.000 0.000 0.200 432 E C 2.242 178.839 176.600 -0.005 0.000 1.012 432 E CA 1.577 57.959 56.400 -0.030 0.000 0.812 432 E CB -0.150 29.551 29.700 0.002 0.000 0.743 432 E HN 0.133 nan 8.360 nan 0.000 0.453 433 V N 0.990 120.889 119.914 -0.025 0.000 2.427 433 V HA -0.168 3.953 4.120 0.000 0.000 0.248 433 V C 2.324 178.456 176.094 0.064 0.000 1.051 433 V CA 1.164 63.499 62.300 0.059 0.000 1.048 433 V CB -0.184 31.694 31.823 0.092 0.000 0.666 433 V HN 0.094 nan 8.190 nan 0.000 0.456 434 V N -0.395 119.374 119.914 -0.242 0.000 2.649 434 V HA -0.025 4.095 4.120 0.000 0.000 0.248 434 V C 2.436 178.512 176.094 -0.031 0.000 1.054 434 V CA 1.159 63.257 62.300 -0.336 0.000 1.073 434 V CB -0.692 30.725 31.823 -0.677 0.000 0.699 434 V HN 0.392 nan 8.190 nan 0.000 0.463 435 R N 0.160 120.631 120.500 -0.049 0.000 2.316 435 R HA 0.005 4.345 4.340 0.000 0.000 0.202 435 R C 2.042 178.358 176.300 0.027 0.000 1.029 435 R CA 0.703 56.793 56.100 -0.016 0.000 1.018 435 R CB -0.040 30.244 30.300 -0.027 0.000 0.888 435 R HN 0.328 nan 8.270 nan 0.000 0.471 436 R N -0.693 119.855 120.500 0.081 0.000 2.342 436 R HA 0.073 4.413 4.340 0.000 0.000 0.204 436 R C -0.042 176.358 176.300 0.166 0.000 0.882 436 R CA 0.417 56.585 56.100 0.113 0.000 1.041 436 R CB 0.754 31.131 30.300 0.130 0.000 1.188 436 R HN 0.122 nan 8.270 nan 0.000 0.598 437 D N -0.280 120.280 120.400 0.267 0.000 2.503 437 D HA -0.001 4.639 4.640 0.000 0.000 0.218 437 D C 1.174 177.625 176.300 0.253 0.000 1.183 437 D CA -0.064 54.147 54.000 0.352 0.000 0.827 437 D CB 0.801 41.862 40.800 0.435 0.000 1.034 437 D HN -0.105 nan 8.370 nan 0.000 0.510 438 K N 2.121 122.650 120.400 0.216 0.000 2.077 438 K HA -0.223 4.097 4.320 0.000 0.000 0.213 438 K C 1.237 177.865 176.600 0.046 0.000 1.051 438 K CA 1.798 58.187 56.287 0.170 0.000 0.929 438 K CB -0.246 32.296 32.500 0.069 0.000 0.715 438 K HN 0.005 nan 8.250 nan 0.000 0.451 439 N N -0.383 118.271 118.700 -0.078 0.000 2.354 439 N HA -0.052 4.688 4.740 0.000 0.000 0.179 439 N C -0.356 175.056 175.510 -0.163 0.000 1.021 439 N CA 0.395 53.367 53.050 -0.130 0.000 0.887 439 N CB -0.107 38.292 38.487 -0.147 0.000 0.974 439 N HN 0.256 nan 8.380 nan 0.000 0.437 440 H N 1.127 120.156 119.070 -0.067 0.000 3.184 440 H HA -0.009 4.547 4.556 0.000 0.000 0.274 440 H C -1.429 173.728 175.328 -0.285 0.000 0.962 440 H CA -0.763 55.201 56.048 -0.141 0.000 1.441 440 H CB 0.436 30.130 29.762 -0.114 0.000 1.518 440 H HN 0.214 nan 8.280 nan 0.000 0.539 441 P HA -0.167 nan 4.420 nan 0.000 0.218 441 P C 1.457 178.241 177.300 -0.861 0.000 1.148 441 P CA 1.655 64.296 63.100 -0.764 0.000 0.822 441 P CB 0.259 31.131 31.700 -1.380 0.000 0.784 442 A N 0.254 122.713 122.820 -0.601 0.000 1.869 442 A HA -0.200 4.120 4.320 0.000 0.000 0.218 442 A C 1.540 179.026 177.584 -0.163 0.000 1.203 442 A CA 2.239 54.169 52.037 -0.178 0.000 0.638 442 A CB -2.093 16.928 19.000 0.035 0.000 0.831 442 A HN 0.224 nan 8.150 nan 0.000 0.450 443 V N 1.119 120.896 119.914 -0.228 0.000 1.979 443 V HA 0.117 4.237 4.120 0.000 0.000 0.232 443 V C 1.481 177.373 176.094 -0.335 0.000 1.697 443 V CA 0.611 62.708 62.300 -0.338 0.000 1.642 443 V CB -1.883 29.639 31.823 -0.503 0.000 1.572 443 V HN 0.838 nan 8.190 nan 0.000 0.492 444 V N 0.635 120.457 119.914 -0.152 0.000 2.636 444 V HA -0.079 4.041 4.120 0.000 0.000 0.258 444 V C 0.766 176.882 176.094 0.037 0.000 1.092 444 V CA 2.097 64.410 62.300 0.023 0.000 1.110 444 V CB -0.715 31.282 31.823 0.289 0.000 0.685 444 V HN 0.885 nan 8.190 nan 0.000 0.481 445 M N -1.540 117.958 119.600 -0.170 0.000 2.523 445 M HA 0.395 4.875 4.480 0.000 0.000 0.287 445 M C -2.321 173.755 176.300 -0.372 0.000 1.160 445 M CA -0.749 54.452 55.300 -0.165 0.000 0.902 445 M CB 1.831 34.496 32.600 0.109 0.000 1.752 445 M HN 0.221 nan 8.290 nan 0.000 0.504 446 W N 1.315 122.649 121.300 0.056 0.000 2.375 446 W HA 0.635 5.295 4.660 0.000 0.000 0.336 446 W C 0.114 176.663 176.519 0.052 0.000 1.160 446 W CA -0.271 57.097 57.345 0.039 0.000 1.266 446 W CB 1.401 30.890 29.460 0.049 0.000 1.195 446 W HN 0.602 nan 8.180 nan 0.000 0.599 447 S N 1.309 117.185 115.700 0.293 0.000 2.779 447 S HA 0.244 4.714 4.470 0.000 0.000 0.293 447 S C 0.343 175.104 174.600 0.268 0.000 1.150 447 S CA -0.699 57.630 58.200 0.215 0.000 1.057 447 S CB 0.742 64.002 63.200 0.099 0.000 1.021 447 S HN 0.550 nan 8.310 nan 0.000 0.485 448 V N 2.925 123.025 119.914 0.309 0.000 2.667 448 V HA 0.576 4.696 4.120 0.000 0.000 0.252 448 V C 0.774 177.109 176.094 0.403 0.000 1.065 448 V CA 1.385 63.895 62.300 0.350 0.000 1.083 448 V CB -1.018 30.987 31.823 0.303 0.000 0.692 448 V HN 1.034 nan 8.190 nan 0.000 0.468 449 A N -0.277 122.767 122.820 0.373 0.000 2.536 449 A HA 0.628 4.949 4.320 0.000 0.000 0.293 449 A C -1.241 176.510 177.584 0.278 0.000 1.119 449 A CA -0.315 51.929 52.037 0.344 0.000 0.654 449 A CB 0.971 20.193 19.000 0.370 0.000 1.291 449 A HN 0.328 nan 8.150 nan 0.000 0.439 450 N N 0.435 119.252 118.700 0.195 0.000 2.371 450 N HA 0.280 5.020 4.740 0.000 0.000 0.291 450 N C -1.002 174.561 175.510 0.089 0.000 1.053 450 N CA -0.123 52.972 53.050 0.076 0.000 0.870 450 N CB 1.531 39.980 38.487 -0.062 0.000 1.503 450 N HN 0.714 nan 8.380 nan 0.000 0.485 451 E N 0.645 120.884 120.200 0.065 0.000 2.149 451 E HA -0.177 4.173 4.350 0.000 0.000 0.191 451 E C -2.213 174.502 176.600 0.191 0.000 1.384 451 E CA 0.259 56.725 56.400 0.111 0.000 0.698 451 E CB -0.854 28.890 29.700 0.073 0.000 1.086 451 E HN 0.510 nan 8.360 nan 0.000 0.338 452 P HA 0.201 nan 4.420 nan 0.000 0.283 452 P C -0.464 176.977 177.300 0.234 0.000 1.278 452 P CA -0.469 62.797 63.100 0.277 0.000 0.834 452 P CB 0.985 32.859 31.700 0.290 0.000 1.150 453 A N 0.857 123.768 122.820 0.150 0.000 3.046 453 A HA 0.070 4.390 4.320 0.000 0.000 0.259 453 A C 1.771 179.170 177.584 -0.308 0.000 1.843 453 A CA 0.320 52.271 52.037 -0.142 0.000 1.451 453 A CB -1.697 17.107 19.000 -0.327 0.000 1.025 453 A HN 0.520 nan 8.150 nan 0.000 0.625 454 S N 0.607 116.305 115.700 -0.004 0.000 2.500 454 S HA -0.175 4.295 4.470 0.000 0.000 0.239 454 S C 1.595 176.205 174.600 0.017 0.000 0.989 454 S CA 1.436 59.660 58.200 0.040 0.000 0.951 454 S CB -0.565 62.839 63.200 0.340 0.000 0.759 454 S HN 0.981 nan 8.310 nan 0.000 0.523 455 H N -0.049 119.034 119.070 0.023 0.000 2.553 455 H HA 0.436 4.992 4.556 0.000 0.000 0.269 455 H C 0.136 175.432 175.328 -0.053 0.000 1.011 455 H CA -0.144 55.907 56.048 0.005 0.000 1.150 455 H CB -0.520 29.255 29.762 0.022 0.000 1.339 455 H HN 0.342 nan 8.280 nan 0.000 0.604 456 L N 0.569 121.612 121.223 -0.300 0.000 2.322 456 L HA 0.290 4.630 4.340 0.000 0.000 0.279 456 L C 0.697 177.471 176.870 -0.159 0.000 1.036 456 L CA -0.822 53.852 54.840 -0.278 0.000 0.807 456 L CB 1.828 43.568 42.059 -0.530 0.000 1.226 456 L HN 0.036 nan 8.230 nan 0.000 0.433 457 E N 0.468 120.617 120.200 -0.086 0.000 2.106 457 E HA -0.161 4.189 4.350 0.000 0.000 0.192 457 E C 2.056 178.661 176.600 0.008 0.000 0.984 457 E CA 1.482 57.872 56.400 -0.017 0.000 0.806 457 E CB -0.033 29.659 29.700 -0.012 0.000 0.750 457 E HN 0.768 nan 8.360 nan 0.000 0.458 458 S N 0.768 116.434 115.700 -0.057 0.000 2.356 458 S HA -0.104 4.367 4.470 0.000 0.000 0.223 458 S C 2.279 176.914 174.600 0.058 0.000 1.032 458 S CA 0.935 59.140 58.200 0.008 0.000 1.005 458 S CB -0.546 62.631 63.200 -0.039 0.000 0.867 458 S HN 0.280 nan 8.310 nan 0.000 0.449 459 A N 2.037 124.721 122.820 -0.227 0.000 1.933 459 A HA 0.202 4.522 4.320 0.000 0.000 0.218 459 A C 2.387 179.994 177.584 0.037 0.000 1.175 459 A CA 1.508 53.418 52.037 -0.211 0.000 0.628 459 A CB -1.742 16.880 19.000 -0.631 0.000 0.814 459 A HN 0.689 nan 8.150 nan 0.000 0.444 460 G N -2.798 106.023 108.800 0.035 0.000 2.535 460 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 460 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 460 G C 1.304 176.401 174.900 0.328 0.000 1.122 460 G CA 1.231 46.415 45.100 0.140 0.000 0.769 460 G HN 0.596 nan 8.290 nan 0.000 0.549 461 Y N -1.369 119.021 120.300 0.149 0.000 2.522 461 Y HA 0.210 4.760 4.550 0.000 0.000 0.277 461 Y C 2.219 178.202 175.900 0.138 0.000 1.104 461 Y CA -0.124 58.050 58.100 0.124 0.000 1.260 461 Y CB 0.039 38.548 38.460 0.083 0.000 1.151 461 Y HN 0.162 nan 8.280 nan 0.000 0.539 462 Y N 0.287 120.674 120.300 0.145 0.000 2.070 462 Y HA -0.229 4.321 4.550 0.000 0.000 0.279 462 Y C 1.981 177.837 175.900 -0.074 0.000 1.134 462 Y CA 1.725 59.872 58.100 0.077 0.000 1.113 462 Y CB -0.825 37.778 38.460 0.237 0.000 0.981 462 Y HN 0.013 nan 8.280 nan 0.000 0.487 463 L N 1.438 122.881 121.223 0.367 0.000 2.189 463 L HA -0.249 4.091 4.340 0.000 0.000 0.214 463 L C 2.411 179.290 176.870 0.016 0.000 1.097 463 L CA 2.145 57.051 54.840 0.109 0.000 0.764 463 L CB -1.537 40.432 42.059 -0.149 0.000 0.900 463 L HN 0.409 nan 8.230 nan 0.000 0.436 464 K N -0.470 119.898 120.400 -0.053 0.000 2.009 464 K HA -0.198 4.122 4.320 0.000 0.000 0.210 464 K C 2.155 178.515 176.600 -0.401 0.000 1.049 464 K CA 1.341 57.373 56.287 -0.425 0.000 0.929 464 K CB 0.039 32.116 32.500 -0.705 0.000 0.714 464 K HN 0.090 nan 8.250 nan 0.000 0.440 465 M N 1.223 120.587 119.600 -0.393 0.000 2.080 465 M HA -0.158 4.322 4.480 0.000 0.000 0.260 465 M C 2.508 178.715 176.300 -0.154 0.000 1.068 465 M CA 1.745 56.867 55.300 -0.296 0.000 1.109 465 M CB -1.019 31.410 32.600 -0.285 0.000 1.342 465 M HN 0.306 nan 8.290 nan 0.000 0.405 466 V N -1.282 118.542 119.914 -0.150 0.000 2.358 466 V HA -0.164 3.956 4.120 0.000 0.000 0.246 466 V C 2.318 178.404 176.094 -0.013 0.000 1.047 466 V CA 1.211 63.466 62.300 -0.076 0.000 1.035 466 V CB -0.969 30.776 31.823 -0.129 0.000 0.658 466 V HN 0.246 nan 8.190 nan 0.000 0.452 467 I N 1.693 122.256 120.570 -0.011 0.000 2.208 467 I HA -0.193 3.977 4.170 0.000 0.000 0.245 467 I C 2.945 179.070 176.117 0.014 0.000 1.097 467 I CA 1.987 63.313 61.300 0.043 0.000 1.363 467 I CB -1.892 36.159 38.000 0.086 0.000 1.051 467 I HN 0.448 nan 8.210 nan 0.000 0.413 468 A N 0.206 122.997 122.820 -0.049 0.000 1.845 468 A HA -0.265 4.055 4.320 0.000 0.000 0.215 468 A C 2.381 179.962 177.584 -0.006 0.000 1.195 468 A CA 1.842 53.842 52.037 -0.062 0.000 0.616 468 A CB -1.128 17.787 19.000 -0.141 0.000 0.832 468 A HN 0.461 nan 8.150 nan 0.000 0.443 469 H N 0.268 119.275 119.070 -0.105 0.000 2.352 469 H HA -0.109 4.447 4.556 0.000 0.000 0.299 469 H C 2.076 177.342 175.328 -0.104 0.000 1.097 469 H CA 2.118 58.108 56.048 -0.096 0.000 1.311 469 H CB -0.678 29.028 29.762 -0.093 0.000 1.377 469 H HN 0.406 nan 8.280 nan 0.000 0.504 470 T N 0.819 115.424 114.554 0.084 0.000 2.759 470 T HA -0.106 4.244 4.350 0.000 0.000 0.269 470 T C 1.898 176.559 174.700 -0.065 0.000 1.042 470 T CA 1.405 63.464 62.100 -0.069 0.000 1.140 470 T CB 0.016 68.835 68.868 -0.082 0.000 0.864 470 T HN 0.395 nan 8.240 nan 0.000 0.455 471 K N 0.907 121.308 120.400 0.001 0.000 2.487 471 K HA 0.160 4.480 4.320 0.000 0.000 0.192 471 K C 1.377 177.971 176.600 -0.011 0.000 1.027 471 K CA 0.264 56.555 56.287 0.007 0.000 1.054 471 K CB 0.337 32.855 32.500 0.029 0.000 0.824 471 K HN 0.113 nan 8.250 nan 0.000 0.510 472 S N 0.603 116.294 115.700 -0.014 0.000 2.582 472 S HA 0.243 4.713 4.470 0.000 0.000 0.234 472 S C 0.987 175.569 174.600 -0.031 0.000 0.961 472 S CA -0.065 58.103 58.200 -0.053 0.000 0.953 472 S CB 0.293 63.406 63.200 -0.144 0.000 0.800 472 S HN 0.200 nan 8.310 nan 0.000 0.471 473 L N 0.109 121.319 121.223 -0.023 0.000 2.953 473 L HA 0.383 4.723 4.340 0.000 0.000 0.258 473 L C -0.240 176.582 176.870 -0.081 0.000 1.100 473 L CA 0.261 55.069 54.840 -0.053 0.000 0.971 473 L CB 0.699 42.700 42.059 -0.097 0.000 1.474 473 L HN 0.114 nan 8.230 nan 0.000 0.540 474 D N 0.268 120.629 120.400 -0.064 0.000 2.584 474 D HA 0.182 4.822 4.640 0.000 0.000 0.238 474 D C -2.402 173.935 176.300 0.061 0.000 1.302 474 D CA -0.951 53.053 54.000 0.006 0.000 0.884 474 D CB 1.502 42.309 40.800 0.013 0.000 1.456 474 D HN -0.143 nan 8.370 nan 0.000 0.528 475 P HA 0.073 nan 4.420 nan 0.000 0.256 475 P C 0.889 178.219 177.300 0.049 0.000 1.335 475 P CA 0.359 63.484 63.100 0.041 0.000 0.808 475 P CB 0.138 31.846 31.700 0.014 0.000 1.305 476 S N -1.073 114.673 115.700 0.076 0.000 2.524 476 S HA 0.112 4.582 4.470 0.000 0.000 0.216 476 S C 0.797 175.429 174.600 0.054 0.000 0.987 476 S CA -0.352 57.880 58.200 0.054 0.000 0.909 476 S CB -0.279 62.949 63.200 0.046 0.000 0.781 476 S HN 0.209 nan 8.310 nan 0.000 0.521 477 R N -0.599 119.972 120.500 0.118 0.000 2.663 477 R HA 0.573 4.913 4.340 0.000 0.000 0.267 477 R C -3.737 172.669 176.300 0.177 0.000 1.038 477 R CA -1.933 54.228 56.100 0.101 0.000 0.886 477 R CB -0.250 30.091 30.300 0.069 0.000 1.249 477 R HN -0.110 nan 8.270 nan 0.000 0.463 478 P HA 0.056 nan 4.420 nan 0.000 0.271 478 P C -0.793 176.659 177.300 0.254 0.000 1.233 478 P CA -0.378 62.829 63.100 0.178 0.000 0.795 478 P CB 0.509 32.315 31.700 0.177 0.000 0.936 479 V N -0.208 119.843 119.914 0.229 0.000 2.876 479 V HA 0.730 4.850 4.120 0.000 0.000 0.312 479 V C 0.048 176.274 176.094 0.220 0.000 1.085 479 V CA -0.202 62.251 62.300 0.256 0.000 0.945 479 V CB 2.205 34.168 31.823 0.232 0.000 1.017 479 V HN 0.666 nan 8.190 nan 0.000 0.428 480 T N 2.551 117.245 114.554 0.233 0.000 2.718 480 T HA 0.748 5.098 4.350 0.000 0.000 0.306 480 T C -2.285 172.602 174.700 0.312 0.000 1.485 480 T CA -0.360 61.879 62.100 0.231 0.000 0.997 480 T CB 1.576 70.513 68.868 0.116 0.000 1.504 480 T HN 1.075 nan 8.240 nan 0.000 0.497 481 F N 0.845 120.837 119.950 0.070 0.000 2.604 481 F HA 0.720 5.247 4.527 0.000 0.000 0.316 481 F C -1.470 174.355 175.800 0.041 0.000 1.136 481 F CA -1.178 56.868 58.000 0.077 0.000 0.989 481 F CB 0.524 39.585 39.000 0.102 0.000 1.258 481 F HN 0.318 nan 8.300 nan 0.000 0.451 482 V N 3.948 123.643 119.914 -0.366 0.000 2.446 482 V HA 0.371 4.491 4.120 0.000 0.000 0.276 482 V C 0.319 176.036 176.094 -0.628 0.000 1.030 482 V CA 0.306 62.353 62.300 -0.421 0.000 1.033 482 V CB 0.033 31.774 31.823 -0.137 0.000 0.993 482 V HN 0.913 nan 8.190 nan 0.000 0.477 483 S N 3.437 118.744 115.700 -0.656 0.000 2.509 483 S HA 0.509 4.979 4.470 0.000 0.000 0.297 483 S C 0.204 174.736 174.600 -0.114 0.000 1.118 483 S CA -0.786 57.167 58.200 -0.412 0.000 1.074 483 S CB 1.570 64.554 63.200 -0.360 0.000 1.038 483 S HN 0.826 nan 8.310 nan 0.000 0.498 484 N N 0.923 119.656 118.700 0.056 0.000 2.351 484 N HA 0.185 4.925 4.740 0.000 0.000 0.254 484 N C -0.674 174.974 175.510 0.231 0.000 1.241 484 N CA -0.467 52.666 53.050 0.137 0.000 0.883 484 N CB 0.295 38.866 38.487 0.140 0.000 1.202 484 N HN 0.402 nan 8.380 nan 0.000 0.512 485 S N 0.813 116.699 115.700 0.310 0.000 2.730 485 S HA 0.314 4.784 4.470 0.000 0.000 0.284 485 S C 0.044 174.931 174.600 0.479 0.000 1.153 485 S CA -0.896 57.517 58.200 0.355 0.000 0.995 485 S CB 1.228 64.648 63.200 0.368 0.000 1.058 485 S HN 0.548 nan 8.310 nan 0.000 0.552 486 N N 0.569 119.471 118.700 0.336 0.000 2.493 486 N HA 0.072 4.812 4.740 0.000 0.000 0.275 486 N C -0.749 174.853 175.510 0.154 0.000 1.186 486 N CA -0.320 52.917 53.050 0.312 0.000 0.978 486 N CB 0.367 38.970 38.487 0.193 0.000 1.184 486 N HN 0.614 nan 8.380 nan 0.000 0.487 487 Y N 0.982 121.066 120.300 -0.361 0.000 2.497 487 Y HA 0.377 4.927 4.550 0.000 0.000 0.334 487 Y C 0.907 176.595 175.900 -0.354 0.000 1.199 487 Y CA -0.609 56.963 58.100 -0.880 0.000 1.425 487 Y CB -0.119 37.597 38.460 -1.239 0.000 1.291 487 Y HN 0.855 nan 8.280 nan 0.000 0.562 488 A N 1.968 124.485 122.820 -0.506 0.000 3.410 488 A HA -0.089 4.231 4.320 0.000 0.000 0.253 488 A C 1.130 178.612 177.584 -0.171 0.000 1.178 488 A CA 1.166 52.953 52.037 -0.417 0.000 1.334 488 A CB -2.291 16.329 19.000 -0.633 0.000 1.097 488 A HN 2.037 nan 8.150 nan 0.000 0.921 489 A N -1.128 121.648 122.820 -0.074 0.000 2.427 489 A HA 0.482 4.802 4.320 0.000 0.000 0.225 489 A C 0.277 177.916 177.584 0.091 0.000 1.257 489 A CA 1.012 53.062 52.037 0.022 0.000 0.985 489 A CB 0.115 19.146 19.000 0.051 0.000 1.136 489 A HN 0.577 nan 8.150 nan 0.000 0.538 490 D N 0.707 121.163 120.400 0.092 0.000 2.344 490 D HA 0.244 4.884 4.640 0.000 0.000 0.253 490 D C 1.112 177.466 176.300 0.090 0.000 1.255 490 D CA -0.036 54.065 54.000 0.169 0.000 0.894 490 D CB 0.718 41.684 40.800 0.277 0.000 1.067 490 D HN -0.052 nan 8.370 nan 0.000 0.492 491 K N 2.335 122.765 120.400 0.050 0.000 2.228 491 K HA 0.031 4.351 4.320 0.000 0.000 0.202 491 K C 1.853 178.366 176.600 -0.145 0.000 1.051 491 K CA 0.484 56.765 56.287 -0.009 0.000 0.960 491 K CB 0.007 32.516 32.500 0.014 0.000 0.743 491 K HN 0.487 nan 8.250 nan 0.000 0.458 492 G N 0.582 109.290 108.800 -0.152 0.000 2.777 492 G HA2 0.018 3.978 3.960 0.000 0.000 0.211 492 G HA3 0.018 3.978 3.960 0.000 0.000 0.211 492 G C 1.572 176.290 174.900 -0.302 0.000 1.149 492 G CA 0.575 45.479 45.100 -0.327 0.000 0.785 492 G HN 0.283 nan 8.290 nan 0.000 0.536 493 A N 2.135 124.869 122.820 -0.142 0.000 1.978 493 A HA 0.003 4.323 4.320 0.000 0.000 0.220 493 A C 0.818 178.178 177.584 -0.373 0.000 1.170 493 A CA 1.698 53.572 52.037 -0.272 0.000 0.636 493 A CB -0.939 17.687 19.000 -0.624 0.000 0.810 493 A HN 0.386 nan 8.150 nan 0.000 0.448 494 P HA -0.118 nan 4.420 nan 0.000 0.230 494 P C 0.447 177.748 177.300 0.000 0.000 1.158 494 P CA 0.964 64.039 63.100 -0.043 0.000 0.769 494 P CB -0.160 31.500 31.700 -0.067 0.000 0.807 495 Y N 0.063 120.429 120.300 0.110 0.000 2.479 495 Y HA 0.053 4.603 4.550 0.000 0.000 0.283 495 Y C 1.945 177.905 175.900 0.099 0.000 1.109 495 Y CA -1.018 57.131 58.100 0.082 0.000 1.239 495 Y CB -1.787 36.694 38.460 0.035 0.000 1.108 495 Y HN -0.220 nan 8.280 nan 0.000 0.548 496 V N 0.091 120.141 119.914 0.226 0.000 3.625 496 V HA -0.022 4.098 4.120 0.000 0.000 0.302 496 V C 0.778 176.976 176.094 0.173 0.000 1.112 496 V CA 0.251 62.676 62.300 0.209 0.000 1.173 496 V CB 0.582 32.529 31.823 0.208 0.000 1.096 496 V HN 0.307 nan 8.190 nan 0.000 0.486 497 D N -0.447 120.049 120.400 0.160 0.000 2.479 497 D HA 0.244 4.884 4.640 0.000 0.000 0.221 497 D C 0.013 176.401 176.300 0.145 0.000 1.104 497 D CA 0.915 55.003 54.000 0.147 0.000 0.849 497 D CB 1.400 42.284 40.800 0.140 0.000 1.072 497 D HN 0.663 nan 8.370 nan 0.000 0.502 498 V N -0.074 119.917 119.914 0.129 0.000 2.851 498 V HA 0.471 4.591 4.120 0.000 0.000 0.307 498 V C -0.445 175.669 176.094 0.032 0.000 1.129 498 V CA -1.072 61.287 62.300 0.098 0.000 0.932 498 V CB 2.240 34.122 31.823 0.098 0.000 1.024 498 V HN -0.163 nan 8.190 nan 0.000 0.426 499 I N 2.288 122.856 120.570 -0.003 0.000 2.440 499 I HA 0.464 4.634 4.170 0.000 0.000 0.294 499 I C -0.317 175.681 176.117 -0.199 0.000 0.995 499 I CA -0.072 61.165 61.300 -0.105 0.000 1.306 499 I CB 1.432 39.365 38.000 -0.111 0.000 1.407 499 I HN 0.654 nan 8.210 nan 0.000 0.501 500 C N 7.135 126.270 119.300 -0.275 0.000 2.293 500 C HA 0.501 4.961 4.460 0.000 0.000 0.323 500 C C 0.023 174.815 174.990 -0.331 0.000 1.240 500 C CA -0.691 58.167 59.018 -0.267 0.000 1.497 500 C CB -0.181 27.413 27.740 -0.242 0.000 2.171 500 C HN 0.518 nan 8.230 nan 0.000 0.465 501 L N 4.113 125.177 121.223 -0.265 0.000 2.282 501 L HA 0.419 4.759 4.340 0.000 0.000 0.288 501 L C -0.323 176.487 176.870 -0.099 0.000 1.033 501 L CA -0.117 54.564 54.840 -0.265 0.000 0.807 501 L CB 0.817 42.711 42.059 -0.276 0.000 1.209 501 L HN 0.576 nan 8.230 nan 0.000 0.423 502 N N 1.854 120.521 118.700 -0.055 0.000 2.817 502 N HA 0.207 4.947 4.740 0.000 0.000 0.234 502 N C -0.822 174.765 175.510 0.128 0.000 1.066 502 N CA -0.263 52.816 53.050 0.048 0.000 0.926 502 N CB 1.130 39.679 38.487 0.104 0.000 1.176 502 N HN 0.511 nan 8.380 nan 0.000 0.506 503 S N 0.574 116.283 115.700 0.016 0.000 2.525 503 S HA 0.463 4.933 4.470 0.000 0.000 0.290 503 S C -0.470 174.097 174.600 -0.054 0.000 1.152 503 S CA -0.618 57.533 58.200 -0.082 0.000 1.072 503 S CB 1.228 64.124 63.200 -0.506 0.000 1.027 503 S HN 0.411 nan 8.310 nan 0.000 0.500 504 Y N 0.319 120.595 120.300 -0.041 0.000 2.577 504 Y HA 0.326 4.876 4.550 0.000 0.000 0.307 504 Y C -0.743 175.236 175.900 0.132 0.000 0.940 504 Y CA -1.167 56.933 58.100 0.001 0.000 1.132 504 Y CB -0.180 38.195 38.460 -0.142 0.000 1.184 504 Y HN 0.633 nan 8.280 nan 0.000 0.611 505 Y N -0.213 120.404 120.300 0.528 0.000 2.805 505 Y HA 0.073 4.623 4.550 0.000 0.000 0.337 505 Y C 1.680 177.818 175.900 0.398 0.000 1.252 505 Y CA 0.625 58.995 58.100 0.450 0.000 1.515 505 Y CB 0.259 38.884 38.460 0.276 0.000 1.305 505 Y HN 0.450 nan 8.280 nan 0.000 0.600 506 S N -1.877 114.145 115.700 0.538 0.000 1.718 506 S HA -0.225 4.245 4.470 0.000 0.000 0.238 506 S C 0.002 174.830 174.600 0.381 0.000 0.893 506 S CA 1.133 59.612 58.200 0.465 0.000 1.410 506 S CB -1.205 62.295 63.200 0.500 0.000 1.761 506 S HN 0.791 nan 8.310 nan 0.000 0.531 507 W N 0.885 122.318 121.300 0.222 0.000 2.436 507 W HA 0.487 5.147 4.660 0.000 0.000 0.347 507 W C 0.897 177.420 176.519 0.008 0.000 1.136 507 W CA 0.092 57.464 57.345 0.045 0.000 1.286 507 W CB 0.533 29.908 29.460 -0.143 0.000 1.253 507 W HN 0.370 nan 8.180 nan 0.000 0.617 508 Y N -1.300 118.812 120.300 -0.312 0.000 3.301 508 Y HA -0.336 4.214 4.550 0.000 0.000 0.459 508 Y C 0.473 176.436 175.900 0.105 0.000 1.135 508 Y CA 2.239 60.233 58.100 -0.177 0.000 2.611 508 Y CB -1.950 36.352 38.460 -0.263 0.000 0.841 508 Y HN 0.575 nan 8.280 nan 0.000 0.522 509 H N -2.138 117.272 119.070 0.567 0.000 3.085 509 H HA 0.417 4.973 4.556 0.000 0.000 0.356 509 H C -0.470 174.945 175.328 0.146 0.000 1.178 509 H CA -0.478 55.762 56.048 0.319 0.000 1.214 509 H CB 1.839 31.738 29.762 0.228 0.000 1.881 509 H HN 0.039 nan 8.280 nan 0.000 0.538 510 D N 0.866 121.208 120.400 -0.096 0.000 2.746 510 D HA -0.187 4.453 4.640 0.000 0.000 0.236 510 D C -0.608 175.786 176.300 0.157 0.000 1.129 510 D CA 0.672 54.590 54.000 -0.137 0.000 0.691 510 D CB -1.600 39.147 40.800 -0.089 0.000 1.077 510 D HN 0.406 nan 8.370 nan 0.000 0.432 511 Y N 0.341 120.723 120.300 0.136 0.000 2.921 511 Y HA 0.181 4.731 4.550 0.000 0.000 0.366 511 Y C 2.032 177.990 175.900 0.096 0.000 1.280 511 Y CA 0.675 58.791 58.100 0.027 0.000 1.630 511 Y CB -0.769 37.635 38.460 -0.093 0.000 1.151 511 Y HN 0.381 nan 8.280 nan 0.000 0.552 512 G N 1.831 110.754 108.800 0.205 0.000 2.148 512 G HA2 -0.292 3.668 3.960 0.000 0.000 0.254 512 G HA3 -0.292 3.668 3.960 0.000 0.000 0.254 512 G C -0.008 174.983 174.900 0.152 0.000 0.981 512 G CA -0.055 45.109 45.100 0.106 0.000 0.670 512 G HN 0.849 nan 8.290 nan 0.000 0.528 513 H N 1.101 120.306 119.070 0.225 0.000 2.652 513 H HA 0.248 4.804 4.556 0.000 0.000 0.233 513 H C 1.652 177.088 175.328 0.181 0.000 1.762 513 H CA -0.594 55.556 56.048 0.169 0.000 1.285 513 H CB 0.397 30.220 29.762 0.102 0.000 1.668 513 H HN 0.074 nan 8.280 nan 0.000 0.550 514 L N 1.685 123.059 121.223 0.251 0.000 2.013 514 L HA -0.230 4.110 4.340 0.000 0.000 0.212 514 L C 2.620 179.565 176.870 0.125 0.000 1.073 514 L CA 1.568 56.511 54.840 0.172 0.000 0.753 514 L CB -0.977 41.150 42.059 0.114 0.000 0.890 514 L HN 0.593 nan 8.230 nan 0.000 0.432 515 E N -0.075 120.194 120.200 0.115 0.000 2.396 515 E HA -0.234 4.116 4.350 0.000 0.000 0.200 515 E C 2.031 178.668 176.600 0.061 0.000 1.023 515 E CA 1.093 57.541 56.400 0.079 0.000 0.857 515 E CB -0.362 29.387 29.700 0.080 0.000 0.775 515 E HN 0.328 nan 8.360 nan 0.000 0.525 516 L N 0.581 121.856 121.223 0.087 0.000 2.253 516 L HA 0.155 4.495 4.340 0.000 0.000 0.205 516 L C 2.413 179.253 176.870 -0.050 0.000 1.078 516 L CA 0.583 55.432 54.840 0.016 0.000 0.805 516 L CB -0.375 41.707 42.059 0.037 0.000 0.963 516 L HN 0.048 nan 8.230 nan 0.000 0.459 517 I N -0.639 119.942 120.570 0.019 0.000 2.053 517 I HA -0.460 3.710 4.170 0.000 0.000 0.236 517 I C 2.416 178.461 176.117 -0.120 0.000 1.038 517 I CA 1.596 62.894 61.300 -0.004 0.000 1.304 517 I CB -0.500 37.538 38.000 0.063 0.000 1.023 517 I HN 0.359 nan 8.210 nan 0.000 0.395 518 Q N -0.145 119.598 119.800 -0.095 0.000 2.315 518 Q HA -0.266 4.074 4.340 0.000 0.000 0.213 518 Q C 2.103 178.035 176.000 -0.112 0.000 0.994 518 Q CA 1.659 57.401 55.803 -0.102 0.000 0.906 518 Q CB -0.182 28.524 28.738 -0.054 0.000 0.918 518 Q HN 0.582 nan 8.270 nan 0.000 0.427 519 L N -0.163 120.984 121.223 -0.127 0.000 2.265 519 L HA -0.077 4.263 4.340 0.000 0.000 0.195 519 L C 1.905 178.648 176.870 -0.211 0.000 1.083 519 L CA 1.158 55.918 54.840 -0.133 0.000 0.798 519 L CB -0.528 41.468 42.059 -0.106 0.000 0.989 519 L HN 0.196 nan 8.230 nan 0.000 0.472 520 Q N 0.011 119.607 119.800 -0.340 0.000 2.325 520 Q HA -0.264 4.076 4.340 0.000 0.000 0.211 520 Q C 1.960 177.671 176.000 -0.482 0.000 0.988 520 Q CA 1.682 57.144 55.803 -0.568 0.000 0.887 520 Q CB -0.085 27.992 28.738 -1.101 0.000 0.915 520 Q HN 0.378 nan 8.270 nan 0.000 0.440 521 L N -0.235 120.820 121.223 -0.279 0.000 2.202 521 L HA 0.058 4.398 4.340 0.000 0.000 0.205 521 L C 2.083 178.791 176.870 -0.270 0.000 1.083 521 L CA 1.387 56.127 54.840 -0.166 0.000 0.790 521 L CB -0.599 41.300 42.059 -0.267 0.000 0.942 521 L HN 0.080 nan 8.230 nan 0.000 0.452 522 A N -1.055 121.679 122.820 -0.144 0.000 1.851 522 A HA -0.248 4.072 4.320 0.000 0.000 0.216 522 A C 2.246 179.838 177.584 0.013 0.000 1.195 522 A CA 2.613 54.636 52.037 -0.024 0.000 0.622 522 A CB -1.367 17.624 19.000 -0.015 0.000 0.831 522 A HN 0.446 nan 8.150 nan 0.000 0.444 523 T N 0.679 115.207 114.554 -0.043 0.000 2.653 523 T HA -0.289 4.061 4.350 0.000 0.000 0.268 523 T C 2.019 176.712 174.700 -0.012 0.000 1.035 523 T CA 2.227 64.301 62.100 -0.043 0.000 1.154 523 T CB -0.510 68.297 68.868 -0.102 0.000 0.862 523 T HN 0.865 nan 8.240 nan 0.000 0.441 524 Q N -0.114 119.675 119.800 -0.019 0.000 2.364 524 Q HA -0.016 4.324 4.340 0.000 0.000 0.207 524 Q C 1.486 177.676 176.000 0.316 0.000 0.970 524 Q CA 1.383 57.256 55.803 0.118 0.000 0.888 524 Q CB -0.365 28.428 28.738 0.091 0.000 0.951 524 Q HN 0.423 nan 8.270 nan 0.000 0.469 525 F N 0.860 120.938 119.950 0.213 0.000 2.656 525 F HA 0.271 4.798 4.527 0.000 0.000 0.291 525 F C 1.701 177.696 175.800 0.325 0.000 1.122 525 F CA -0.231 57.937 58.000 0.279 0.000 1.427 525 F CB 0.081 39.200 39.000 0.197 0.000 1.125 525 F HN 0.140 nan 8.300 nan 0.000 0.583 526 E N 0.290 120.715 120.200 0.374 0.000 2.015 526 E HA -0.167 4.183 4.350 0.000 0.000 0.191 526 E C 1.773 178.509 176.600 0.227 0.000 0.991 526 E CA 1.193 57.750 56.400 0.261 0.000 0.802 526 E CB -0.126 29.653 29.700 0.131 0.000 0.759 526 E HN 0.235 nan 8.360 nan 0.000 0.447 527 N N 0.601 119.358 118.700 0.096 0.000 2.006 527 N HA -0.192 4.548 4.740 0.000 0.000 0.196 527 N C 1.484 177.163 175.510 0.282 0.000 1.070 527 N CA 1.229 54.227 53.050 -0.087 0.000 0.859 527 N CB -0.925 36.977 38.487 -0.975 0.000 1.060 527 N HN 0.220 nan 8.380 nan 0.000 0.424 528 W N 0.657 122.132 121.300 0.292 0.000 2.257 528 W HA -0.264 4.396 4.660 0.000 0.000 0.325 528 W C 2.418 179.189 176.519 0.420 0.000 1.296 528 W CA 1.585 59.218 57.345 0.480 0.000 1.297 528 W CB -1.047 28.662 29.460 0.416 0.000 1.131 528 W HN 0.261 nan 8.180 nan 0.000 0.492 529 Y N 1.393 121.913 120.300 0.366 0.000 2.220 529 Y HA -0.240 4.310 4.550 0.000 0.000 0.291 529 Y C 2.540 178.467 175.900 0.045 0.000 1.129 529 Y CA 2.373 60.525 58.100 0.087 0.000 1.161 529 Y CB -0.780 37.504 38.460 -0.294 0.000 0.997 529 Y HN 0.047 nan 8.280 nan 0.000 0.522 530 K N 0.921 121.424 120.400 0.171 0.000 2.442 530 K HA -0.211 4.109 4.320 0.000 0.000 0.200 530 K C 1.514 178.092 176.600 -0.037 0.000 1.045 530 K CA 2.022 58.347 56.287 0.063 0.000 0.937 530 K CB -0.229 32.343 32.500 0.119 0.000 0.757 530 K HN 0.502 nan 8.250 nan 0.000 0.474 531 K N -1.457 118.909 120.400 -0.056 0.000 2.412 531 K HA 0.031 4.351 4.320 0.000 0.000 0.201 531 K C 1.325 177.700 176.600 -0.374 0.000 1.275 531 K CA -0.132 55.996 56.287 -0.265 0.000 0.910 531 K CB -0.326 31.923 32.500 -0.418 0.000 1.346 531 K HN 0.075 nan 8.250 nan 0.000 0.490 532 Y N 1.970 122.265 120.300 -0.007 0.000 2.475 532 Y HA 0.143 4.693 4.550 0.000 0.000 0.289 532 Y C 0.416 176.241 175.900 -0.125 0.000 1.121 532 Y CA 0.509 58.609 58.100 0.000 0.000 1.257 532 Y CB 0.222 38.773 38.460 0.153 0.000 1.026 532 Y HN 0.107 nan 8.280 nan 0.000 0.555 533 Q N 0.311 119.938 119.800 -0.289 0.000 2.461 533 Q HA -0.246 4.094 4.340 0.000 0.000 0.264 533 Q C -0.634 175.186 176.000 -0.300 0.000 1.085 533 Q CA 1.134 56.541 55.803 -0.661 0.000 1.006 533 Q CB -1.566 26.956 28.738 -0.359 0.000 1.437 533 Q HN 0.526 nan 8.270 nan 0.000 0.514 534 K N -0.147 120.257 120.400 0.007 0.000 2.258 534 K HA 0.645 4.965 4.320 0.000 0.000 0.236 534 K C -2.539 174.278 176.600 0.361 0.000 1.008 534 K CA -2.023 54.379 56.287 0.192 0.000 0.869 534 K CB 1.151 33.764 32.500 0.189 0.000 1.171 534 K HN -0.197 nan 8.250 nan 0.000 0.447 535 P HA 0.239 nan 4.420 nan 0.000 0.278 535 P C -0.849 176.527 177.300 0.128 0.000 1.238 535 P CA -0.244 63.003 63.100 0.245 0.000 0.794 535 P CB 0.550 32.372 31.700 0.204 0.000 0.955 536 I N 2.231 122.821 120.570 0.034 0.000 2.822 536 I HA 0.486 4.656 4.170 0.000 0.000 0.312 536 I C 0.179 176.155 176.117 -0.235 0.000 1.011 536 I CA -0.664 60.566 61.300 -0.117 0.000 1.105 536 I CB 1.178 39.036 38.000 -0.236 0.000 1.291 536 I HN 0.083 nan 8.210 nan 0.000 0.474 537 I N 2.833 123.258 120.570 -0.242 0.000 2.529 537 I HA 0.146 4.316 4.170 0.000 0.000 0.284 537 I C -0.808 175.220 176.117 -0.148 0.000 1.088 537 I CA -0.603 60.535 61.300 -0.269 0.000 1.062 537 I CB 1.906 39.687 38.000 -0.366 0.000 1.218 537 I HN 0.520 nan 8.210 nan 0.000 0.442 538 Q N 4.046 123.818 119.800 -0.048 0.000 2.381 538 Q HA 0.118 4.458 4.340 0.000 0.000 0.243 538 Q C 0.939 176.987 176.000 0.080 0.000 1.154 538 Q CA 0.020 55.889 55.803 0.109 0.000 0.899 538 Q CB 0.795 29.679 28.738 0.243 0.000 1.396 538 Q HN 0.751 nan 8.270 nan 0.000 0.485 539 S N 2.288 117.998 115.700 0.016 0.000 2.461 539 S HA 0.085 4.555 4.470 0.000 0.000 0.228 539 S C -0.000 174.662 174.600 0.103 0.000 1.005 539 S CA 0.307 58.519 58.200 0.020 0.000 0.942 539 S CB 0.160 63.332 63.200 -0.047 0.000 0.776 539 S HN 0.653 nan 8.310 nan 0.000 0.514 540 E N -0.334 119.918 120.200 0.087 0.000 2.352 540 E HA 0.587 4.937 4.350 0.000 0.000 0.280 540 E C -1.665 174.855 176.600 -0.133 0.000 0.930 540 E CA -0.941 55.471 56.400 0.020 0.000 0.765 540 E CB 2.309 31.965 29.700 -0.073 0.000 1.219 540 E HN 0.485 nan 8.360 nan 0.000 0.434 541 Y N -0.045 119.962 120.300 -0.488 0.000 2.774 541 Y HA 0.660 5.210 4.550 0.000 0.000 0.346 541 Y C -0.342 175.133 175.900 -0.709 0.000 1.222 541 Y CA -0.070 57.485 58.100 -0.908 0.000 1.088 541 Y CB 0.817 38.672 38.460 -1.009 0.000 1.354 541 Y HN 0.816 nan 8.280 nan 0.000 0.455 542 G N 0.420 108.805 108.800 -0.693 0.000 2.270 542 G HA2 0.583 4.543 3.960 0.000 0.000 0.268 542 G HA3 0.583 4.543 3.960 0.000 0.000 0.268 542 G C -1.667 172.948 174.900 -0.475 0.000 1.312 542 G CA -0.168 44.616 45.100 -0.527 0.000 1.050 542 G HN 2.153 nan 8.290 nan 0.000 0.474 543 A N -0.791 121.701 122.820 -0.548 0.000 2.574 543 A HA 0.815 5.135 4.320 0.000 0.000 0.297 543 A C -0.499 176.472 177.584 -1.021 0.000 1.062 543 A CA 0.396 51.837 52.037 -0.994 0.000 0.686 543 A CB 1.751 20.446 19.000 -0.508 0.000 1.285 543 A HN 1.378 nan 8.150 nan 0.000 0.403 544 E N 0.397 119.601 120.200 -1.660 0.000 2.392 544 E HA 0.528 4.878 4.350 0.000 0.000 0.264 544 E C -0.592 175.672 176.600 -0.560 0.000 1.024 544 E CA 0.635 56.492 56.400 -0.905 0.000 0.903 544 E CB 0.570 29.760 29.700 -0.849 0.000 0.963 544 E HN 0.535 nan 8.360 nan 0.000 0.432 545 T N 4.878 119.300 114.554 -0.220 0.000 3.172 545 T HA 0.323 4.673 4.350 0.000 0.000 0.320 545 T C -0.743 173.924 174.700 -0.056 0.000 1.085 545 T CA -0.692 61.367 62.100 -0.067 0.000 1.052 545 T CB 0.531 69.334 68.868 -0.108 0.000 1.107 545 T HN 0.324 nan 8.240 nan 0.000 0.458 546 I N 3.033 123.548 120.570 -0.092 0.000 2.315 546 I HA 0.308 4.478 4.170 0.000 0.000 0.291 546 I C 1.720 177.694 176.117 -0.237 0.000 1.006 546 I CA -0.487 60.620 61.300 -0.323 0.000 1.265 546 I CB 0.940 38.426 38.000 -0.856 0.000 1.387 546 I HN 0.882 nan 8.210 nan 0.000 0.475 547 A N 6.087 128.820 122.820 -0.145 0.000 1.881 547 A HA -0.217 4.103 4.320 0.000 0.000 0.219 547 A C 2.063 179.651 177.584 0.008 0.000 1.215 547 A CA 2.421 54.422 52.037 -0.060 0.000 0.648 547 A CB -1.102 17.878 19.000 -0.033 0.000 0.832 547 A HN 0.858 nan 8.150 nan 0.000 0.455 548 G N -2.130 106.750 108.800 0.134 0.000 2.776 548 G HA2 0.234 4.194 3.960 0.000 0.000 0.209 548 G HA3 0.234 4.194 3.960 0.000 0.000 0.209 548 G C 0.168 175.253 174.900 0.308 0.000 1.145 548 G CA -0.232 45.017 45.100 0.248 0.000 0.791 548 G HN 0.249 nan 8.290 nan 0.000 0.530 549 F N 1.818 121.676 119.950 -0.153 0.000 2.456 549 F HA 0.396 4.923 4.527 0.000 0.000 0.358 549 F C 0.747 176.338 175.800 -0.348 0.000 1.095 549 F CA -0.960 56.962 58.000 -0.131 0.000 1.216 549 F CB 0.375 39.352 39.000 -0.038 0.000 1.125 549 F HN 0.107 nan 8.300 nan 0.000 0.549 550 H N 1.857 120.994 119.070 0.111 0.000 2.930 550 H HA 0.510 5.066 4.556 0.000 0.000 0.371 550 H C -1.209 174.142 175.328 0.038 0.000 1.169 550 H CA -0.859 55.235 56.048 0.077 0.000 1.157 550 H CB 2.530 32.314 29.762 0.038 0.000 1.789 550 H HN 0.478 nan 8.280 nan 0.000 0.547 551 Q N 1.679 121.590 119.800 0.184 0.000 2.503 551 Q HA 0.178 4.518 4.340 0.000 0.000 0.268 551 Q C -1.577 174.487 176.000 0.107 0.000 0.982 551 Q CA -0.483 55.385 55.803 0.109 0.000 0.907 551 Q CB 2.008 30.802 28.738 0.094 0.000 1.467 551 Q HN 0.620 nan 8.270 nan 0.000 0.394 552 D N 2.385 122.828 120.400 0.073 0.000 2.315 552 D HA 0.375 5.015 4.640 0.000 0.000 0.275 552 D C -1.806 174.538 176.300 0.074 0.000 1.218 552 D CA -0.970 53.071 54.000 0.069 0.000 1.040 552 D CB 0.310 41.136 40.800 0.044 0.000 1.123 552 D HN 0.560 nan 8.370 nan 0.000 0.541 553 P HA -0.208 nan 4.420 nan 0.000 0.014 553 P C -2.154 175.210 177.300 0.106 0.000 0.596 553 P CA 0.657 63.798 63.100 0.068 0.000 1.035 553 P CB -0.454 31.271 31.700 0.040 0.000 1.908 554 P HA -0.296 nan 4.420 nan 0.000 0.257 554 P C 0.395 177.815 177.300 0.200 0.000 0.748 554 P CA 1.835 65.083 63.100 0.247 0.000 1.047 554 P CB -0.488 31.446 31.700 0.389 0.000 0.780 555 L N -5.102 116.173 121.223 0.087 0.000 0.585 555 L HA -0.209 4.131 4.340 0.000 0.000 0.356 555 L C 1.652 178.423 176.870 -0.165 0.000 1.004 555 L CA 1.171 55.966 54.840 -0.076 0.000 1.223 555 L CB -1.359 40.716 42.059 0.027 0.000 0.012 555 L HN 0.227 nan 8.230 nan 0.000 0.091 556 M N 2.490 121.981 119.600 -0.182 0.000 7.076 556 M HA -0.298 4.182 4.480 0.000 0.000 0.300 556 M C 0.666 177.173 176.300 0.344 0.000 0.753 556 M CA 2.378 57.704 55.300 0.042 0.000 0.940 556 M CB -0.497 32.297 32.600 0.322 0.000 0.742 556 M HN 0.475 nan 8.290 nan 0.000 0.972 557 F N 0.826 120.912 119.950 0.226 0.000 2.665 557 F HA 0.172 4.699 4.527 0.000 0.000 0.360 557 F C 0.579 176.457 175.800 0.129 0.000 1.168 557 F CA 0.199 58.298 58.000 0.167 0.000 1.366 557 F CB -1.486 37.538 39.000 0.040 0.000 1.592 557 F HN 0.103 nan 8.300 nan 0.000 0.610 558 T N -0.132 114.615 114.554 0.321 0.000 2.823 558 T HA 0.157 4.507 4.350 0.000 0.000 0.279 558 T C 1.280 176.067 174.700 0.146 0.000 0.998 558 T CA -0.572 61.671 62.100 0.237 0.000 0.994 558 T CB 1.579 70.590 68.868 0.239 0.000 0.960 558 T HN 0.383 nan 8.240 nan 0.000 0.448 559 E N 1.904 122.112 120.200 0.012 0.000 2.086 559 E HA -0.247 4.103 4.350 0.000 0.000 0.200 559 E C 1.496 178.124 176.600 0.047 0.000 1.012 559 E CA 1.583 57.968 56.400 -0.026 0.000 0.812 559 E CB 0.110 29.729 29.700 -0.134 0.000 0.743 559 E HN 0.566 nan 8.360 nan 0.000 0.453 560 E N 0.171 120.432 120.200 0.101 0.000 2.077 560 E HA -0.186 4.164 4.350 0.000 0.000 0.193 560 E C 1.729 178.412 176.600 0.138 0.000 0.989 560 E CA 0.818 57.291 56.400 0.123 0.000 0.800 560 E CB -0.473 29.318 29.700 0.152 0.000 0.746 560 E HN 0.325 nan 8.360 nan 0.000 0.452 561 Y N 1.531 121.872 120.300 0.069 0.000 2.165 561 Y HA -0.297 4.253 4.550 0.000 0.000 0.286 561 Y C 2.398 178.331 175.900 0.054 0.000 1.155 561 Y CA 2.225 60.376 58.100 0.085 0.000 1.164 561 Y CB -0.323 38.219 38.460 0.136 0.000 0.978 561 Y HN 0.119 nan 8.280 nan 0.000 0.513 562 Q N 0.445 120.238 119.800 -0.012 0.000 2.084 562 Q HA -0.277 4.063 4.340 0.000 0.000 0.202 562 Q C 2.406 178.325 176.000 -0.136 0.000 0.978 562 Q CA 2.243 57.966 55.803 -0.133 0.000 0.844 562 Q CB -0.317 28.359 28.738 -0.104 0.000 0.898 562 Q HN 0.540 nan 8.270 nan 0.000 0.426 563 K N -0.076 120.286 120.400 -0.064 0.000 2.147 563 K HA -0.141 4.179 4.320 0.000 0.000 0.205 563 K C 1.973 178.538 176.600 -0.058 0.000 1.049 563 K CA 1.686 57.950 56.287 -0.038 0.000 0.936 563 K CB -0.074 32.430 32.500 0.008 0.000 0.722 563 K HN 0.315 nan 8.250 nan 0.000 0.446 564 S N 1.181 116.827 115.700 -0.091 0.000 2.377 564 S HA -0.114 4.356 4.470 0.000 0.000 0.223 564 S C 2.011 176.517 174.600 -0.158 0.000 1.030 564 S CA 0.739 58.880 58.200 -0.099 0.000 0.970 564 S CB -0.525 62.637 63.200 -0.063 0.000 0.830 564 S HN 0.396 nan 8.310 nan 0.000 0.473 565 L N 0.800 121.844 121.223 -0.298 0.000 1.973 565 L HA -0.034 4.306 4.340 0.000 0.000 0.208 565 L C 2.339 179.149 176.870 -0.101 0.000 1.073 565 L CA 1.256 55.965 54.840 -0.218 0.000 0.746 565 L CB -0.525 41.326 42.059 -0.346 0.000 0.891 565 L HN 0.207 nan 8.230 nan 0.000 0.433 566 L N 0.682 121.802 121.223 -0.170 0.000 2.034 566 L HA -0.343 3.997 4.340 0.000 0.000 0.217 566 L C 2.622 179.178 176.870 -0.523 0.000 1.077 566 L CA 2.406 57.090 54.840 -0.260 0.000 0.769 566 L CB -0.926 41.024 42.059 -0.181 0.000 0.890 566 L HN 0.489 nan 8.230 nan 0.000 0.435 567 E N -1.395 118.676 120.200 -0.214 0.000 2.085 567 E HA -0.268 4.082 4.350 0.000 0.000 0.194 567 E C 2.098 178.678 176.600 -0.034 0.000 0.994 567 E CA 1.244 57.609 56.400 -0.058 0.000 0.801 567 E CB 0.029 29.739 29.700 0.017 0.000 0.743 567 E HN 0.486 nan 8.360 nan 0.000 0.453 568 Q N -0.492 119.287 119.800 -0.034 0.000 2.079 568 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 568 Q C 1.987 177.963 176.000 -0.040 0.000 0.974 568 Q CA 1.235 57.032 55.803 -0.011 0.000 0.840 568 Q CB -0.539 28.206 28.738 0.011 0.000 0.898 568 Q HN 0.472 nan 8.270 nan 0.000 0.430 569 Y N 0.746 120.906 120.300 -0.232 0.000 2.181 569 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 569 Y C 2.478 178.260 175.900 -0.196 0.000 1.146 569 Y CA 1.559 59.460 58.100 -0.331 0.000 1.164 569 Y CB -0.210 37.825 38.460 -0.708 0.000 0.982 569 Y HN 0.324 nan 8.280 nan 0.000 0.515 570 H N -1.584 117.515 119.070 0.049 0.000 2.357 570 H HA -0.127 4.429 4.556 0.000 0.000 0.301 570 H C 2.251 177.588 175.328 0.016 0.000 1.082 570 H CA 1.106 57.179 56.048 0.041 0.000 1.342 570 H CB -0.640 29.152 29.762 0.051 0.000 1.389 570 H HN 0.217 nan 8.280 nan 0.000 0.511 571 L N 0.613 121.909 121.223 0.123 0.000 2.131 571 L HA -0.049 4.291 4.340 0.000 0.000 0.210 571 L C 2.371 179.258 176.870 0.028 0.000 1.092 571 L CA 1.592 56.467 54.840 0.058 0.000 0.759 571 L CB -1.252 40.826 42.059 0.031 0.000 0.903 571 L HN 0.339 nan 8.230 nan 0.000 0.435 572 G N -1.273 107.529 108.800 0.004 0.000 2.473 572 G HA2 -0.132 3.828 3.960 0.000 0.000 0.212 572 G HA3 -0.132 3.828 3.960 0.000 0.000 0.212 572 G C 1.636 176.567 174.900 0.052 0.000 1.211 572 G CA 0.391 45.483 45.100 -0.013 0.000 0.813 572 G HN 0.326 nan 8.290 nan 0.000 0.541 573 L N 0.671 121.949 121.223 0.092 0.000 2.089 573 L HA -0.187 4.153 4.340 0.000 0.000 0.213 573 L C 2.444 179.363 176.870 0.083 0.000 1.079 573 L CA 1.433 56.365 54.840 0.153 0.000 0.758 573 L CB -0.488 41.686 42.059 0.192 0.000 0.891 573 L HN 0.134 nan 8.230 nan 0.000 0.433 574 D N -0.755 119.684 120.400 0.065 0.000 2.228 574 D HA -0.189 4.451 4.640 0.000 0.000 0.203 574 D C 2.369 178.665 176.300 -0.006 0.000 0.988 574 D CA 0.866 54.880 54.000 0.023 0.000 0.864 574 D CB 0.043 40.853 40.800 0.017 0.000 0.928 574 D HN 0.319 nan 8.370 nan 0.000 0.469 575 Q N -0.387 119.411 119.800 -0.003 0.000 2.123 575 Q HA -0.047 4.293 4.340 0.000 0.000 0.199 575 Q C 1.637 177.584 176.000 -0.089 0.000 0.966 575 Q CA 0.850 56.638 55.803 -0.024 0.000 0.845 575 Q CB 0.124 28.864 28.738 0.003 0.000 0.907 575 Q HN 0.169 nan 8.270 nan 0.000 0.439 576 K N 0.490 120.812 120.400 -0.130 0.000 2.379 576 K HA 0.139 4.459 4.320 0.000 0.000 0.194 576 K C 0.577 176.964 176.600 -0.356 0.000 1.031 576 K CA 0.125 56.184 56.287 -0.380 0.000 1.037 576 K CB 0.321 32.520 32.500 -0.501 0.000 0.824 576 K HN 0.123 nan 8.250 nan 0.000 0.516 577 R N 0.760 121.183 120.500 -0.129 0.000 2.694 577 R HA 0.078 4.418 4.340 0.000 0.000 0.268 577 R C 0.656 176.932 176.300 -0.041 0.000 1.061 577 R CA 0.045 56.148 56.100 0.005 0.000 1.133 577 R CB 0.389 30.758 30.300 0.116 0.000 1.020 577 R HN -0.003 nan 8.270 nan 0.000 0.475 578 R N 0.264 120.772 120.500 0.014 0.000 3.789 578 R HA -0.234 4.106 4.340 0.000 0.000 0.414 578 R C 0.499 176.783 176.300 -0.028 0.000 0.593 578 R CA 2.109 58.212 56.100 0.006 0.000 1.562 578 R CB -1.024 29.272 30.300 -0.006 0.000 2.091 578 R HN 0.628 nan 8.270 nan 0.000 0.382 579 K N -0.712 119.613 120.400 -0.125 0.000 2.015 579 K HA 0.049 4.369 4.320 0.000 0.000 0.215 579 K C 1.592 178.117 176.600 -0.126 0.000 1.027 579 K CA 2.341 58.525 56.287 -0.171 0.000 0.960 579 K CB -0.524 31.714 32.500 -0.437 0.000 0.798 579 K HN 0.611 nan 8.250 nan 0.000 0.447 580 Y N -2.196 117.991 120.300 -0.188 0.000 2.858 580 Y HA 0.419 4.969 4.550 0.000 0.000 0.270 580 Y C -0.148 175.607 175.900 -0.242 0.000 1.063 580 Y CA -0.864 57.101 58.100 -0.224 0.000 1.263 580 Y CB -0.155 38.020 38.460 -0.474 0.000 1.378 580 Y HN -0.283 nan 8.280 nan 0.000 0.578 581 V N 2.811 122.472 119.914 -0.421 0.000 2.465 581 V HA 0.331 4.451 4.120 0.000 0.000 0.279 581 V C 0.784 176.654 176.094 -0.373 0.000 1.045 581 V CA -0.294 61.751 62.300 -0.426 0.000 0.938 581 V CB 1.686 33.139 31.823 -0.616 0.000 0.986 581 V HN 0.280 nan 8.190 nan 0.000 0.467 582 V N 1.356 121.031 119.914 -0.399 0.000 3.070 582 V HA 0.849 4.969 4.120 0.000 0.000 0.345 582 V C 0.441 176.061 176.094 -0.790 0.000 1.403 582 V CA 0.272 62.281 62.300 -0.485 0.000 1.155 582 V CB -0.157 31.621 31.823 -0.076 0.000 1.140 582 V HN 1.065 nan 8.190 nan 0.000 0.505 583 G N 0.648 108.854 108.800 -0.991 0.000 2.340 583 G HA2 0.545 4.505 3.960 0.000 0.000 0.298 583 G HA3 0.545 4.505 3.960 0.000 0.000 0.298 583 G C -1.655 173.092 174.900 -0.256 0.000 1.498 583 G CA -0.203 44.498 45.100 -0.665 0.000 0.847 583 G HN 0.630 nan 8.290 nan 0.000 0.594 584 E N -0.594 119.644 120.200 0.063 0.000 2.356 584 E HA 0.713 5.063 4.350 0.000 0.000 0.275 584 E C -1.444 175.314 176.600 0.263 0.000 0.904 584 E CA -1.181 55.359 56.400 0.233 0.000 0.757 584 E CB 2.655 32.605 29.700 0.417 0.000 1.232 584 E HN 0.438 nan 8.360 nan 0.000 0.442 585 L N 3.319 124.716 121.223 0.290 0.000 2.529 585 L HA 0.357 4.697 4.340 0.000 0.000 0.258 585 L C -0.502 176.452 176.870 0.140 0.000 1.032 585 L CA -0.992 53.980 54.840 0.220 0.000 0.899 585 L CB 1.239 43.383 42.059 0.140 0.000 1.174 585 L HN 0.679 nan 8.230 nan 0.000 0.458 586 I N 2.164 122.738 120.570 0.007 0.000 2.826 586 I HA -0.157 4.013 4.170 0.000 0.000 0.295 586 I C 1.230 177.254 176.117 -0.155 0.000 1.213 586 I CA 0.624 61.629 61.300 -0.492 0.000 1.436 586 I CB 0.427 38.219 38.000 -0.346 0.000 1.348 586 I HN 0.714 nan 8.210 nan 0.000 0.570 587 W N 6.913 127.956 121.300 -0.429 0.000 1.987 587 W HA -0.298 4.362 4.660 0.000 0.000 0.309 587 W C 0.455 176.959 176.519 -0.025 0.000 1.137 587 W CA 1.370 58.617 57.345 -0.163 0.000 1.019 587 W CB -0.248 29.137 29.460 -0.125 0.000 1.084 587 W HN 0.562 nan 8.180 nan 0.000 0.505 588 N N -0.529 117.896 118.700 -0.458 0.000 2.472 588 N HA 0.127 4.867 4.740 0.000 0.000 0.289 588 N C 0.326 175.744 175.510 -0.152 0.000 1.156 588 N CA -0.505 52.213 53.050 -0.553 0.000 0.940 588 N CB 1.325 39.388 38.487 -0.706 0.000 1.200 588 N HN 0.075 nan 8.380 nan 0.000 0.511 589 F N 1.373 121.192 119.950 -0.218 0.000 2.187 589 F HA 0.320 4.847 4.527 0.000 0.000 0.295 589 F C 0.512 176.364 175.800 0.088 0.000 1.091 589 F CA 0.584 58.567 58.000 -0.028 0.000 1.308 589 F CB 0.176 39.113 39.000 -0.105 0.000 1.030 589 F HN 0.458 nan 8.300 nan 0.000 0.487 590 A N -0.691 122.192 122.820 0.105 0.000 2.583 590 A HA 0.498 4.818 4.320 0.000 0.000 0.289 590 A C -1.333 176.277 177.584 0.043 0.000 1.151 590 A CA -0.822 51.244 52.037 0.048 0.000 0.695 590 A CB 0.230 19.294 19.000 0.107 0.000 1.290 590 A HN 0.030 nan 8.150 nan 0.000 0.419 591 D N 0.065 120.455 120.400 -0.016 0.000 2.357 591 D HA 0.584 5.224 4.640 0.000 0.000 0.242 591 D C -0.505 175.793 176.300 -0.003 0.000 1.153 591 D CA 0.906 54.837 54.000 -0.116 0.000 0.918 591 D CB 0.433 41.160 40.800 -0.123 0.000 1.181 591 D HN 0.510 nan 8.370 nan 0.000 0.435 592 F N -1.724 118.212 119.950 -0.025 0.000 2.654 592 F HA 0.466 4.993 4.527 0.000 0.000 0.308 592 F C -0.621 175.207 175.800 0.047 0.000 1.108 592 F CA -1.635 56.364 58.000 -0.001 0.000 0.957 592 F CB 0.810 39.764 39.000 -0.076 0.000 1.309 592 F HN 0.078 nan 8.300 nan 0.000 0.446 593 M N 2.745 122.510 119.600 0.276 0.000 2.245 593 M HA 0.519 4.999 4.480 0.000 0.000 0.330 593 M C -0.019 176.466 176.300 0.308 0.000 1.098 593 M CA 0.708 56.112 55.300 0.173 0.000 1.172 593 M CB 0.752 33.444 32.600 0.153 0.000 1.467 593 M HN 0.959 nan 8.290 nan 0.000 0.454 594 T N 0.509 115.159 114.554 0.159 0.000 2.864 594 T HA 0.674 5.024 4.350 0.000 0.000 0.289 594 T C -0.465 174.378 174.700 0.238 0.000 1.082 594 T CA -1.066 61.190 62.100 0.260 0.000 1.009 594 T CB 1.113 70.080 68.868 0.165 0.000 1.234 594 T HN 0.663 nan 8.240 nan 0.000 0.526 595 E N 0.041 120.379 120.200 0.231 0.000 2.421 595 E HA 0.231 4.581 4.350 0.000 0.000 0.253 595 E C -0.441 176.215 176.600 0.094 0.000 1.277 595 E CA -0.226 56.302 56.400 0.213 0.000 0.968 595 E CB 0.458 30.168 29.700 0.016 0.000 1.040 595 E HN 0.589 nan 8.360 nan 0.000 0.512 596 Q N 0.684 120.515 119.800 0.052 0.000 2.279 596 Q HA 0.467 4.807 4.340 0.000 0.000 0.256 596 Q C -1.156 174.839 176.000 -0.008 0.000 0.937 596 Q CA -0.255 55.554 55.803 0.009 0.000 0.933 596 Q CB 1.473 30.203 28.738 -0.014 0.000 1.189 596 Q HN 0.348 nan 8.270 nan 0.000 0.417 597 S N 2.666 118.368 115.700 0.002 0.000 2.535 597 S HA 0.234 4.704 4.470 0.000 0.000 0.272 597 S C -2.338 172.271 174.600 0.014 0.000 1.149 597 S CA -0.976 57.227 58.200 0.005 0.000 0.888 597 S CB 1.757 64.965 63.200 0.013 0.000 1.110 597 S HN 0.403 nan 8.310 nan 0.000 0.463 598 P HA -0.054 nan 4.420 nan 0.000 0.226 598 P C 0.920 178.242 177.300 0.035 0.000 1.146 598 P CA 1.118 64.223 63.100 0.008 0.000 0.773 598 P CB -0.101 31.600 31.700 0.002 0.000 0.772 599 T N -2.070 112.521 114.554 0.063 0.000 3.054 599 T HA 0.089 4.439 4.350 0.000 0.000 0.259 599 T C 0.894 175.700 174.700 0.178 0.000 1.092 599 T CA 0.439 62.615 62.100 0.127 0.000 1.121 599 T CB 0.006 68.939 68.868 0.108 0.000 0.912 599 T HN -0.081 nan 8.240 nan 0.000 0.489 600 R N 1.848 122.413 120.500 0.107 0.000 2.229 600 R HA 0.480 4.820 4.340 0.000 0.000 0.332 600 R C 0.893 177.217 176.300 0.040 0.000 0.989 600 R CA -0.628 55.525 56.100 0.088 0.000 0.842 600 R CB 0.801 31.137 30.300 0.059 0.000 1.119 600 R HN 0.039 nan 8.270 nan 0.000 0.456 601 V N 2.525 122.461 119.914 0.037 0.000 2.221 601 V HA -0.116 4.005 4.120 0.000 0.000 0.242 601 V C 0.965 177.028 176.094 -0.052 0.000 1.041 601 V CA 1.273 63.552 62.300 -0.034 0.000 0.995 601 V CB -0.240 31.539 31.823 -0.074 0.000 0.635 601 V HN 0.439 nan 8.190 nan 0.000 0.448 602 L N 0.012 121.197 121.223 -0.063 0.000 2.745 602 L HA 0.667 5.007 4.340 0.000 0.000 0.296 602 L C -0.016 176.803 176.870 -0.085 0.000 1.362 602 L CA 1.011 55.810 54.840 -0.069 0.000 0.724 602 L CB 0.420 42.436 42.059 -0.072 0.000 1.069 602 L HN 0.592 nan 8.230 nan 0.000 0.535 603 G N 0.663 109.416 108.800 -0.079 0.000 2.466 603 G HA2 -0.197 3.764 3.960 0.000 0.000 0.316 603 G HA3 -0.197 3.764 3.960 0.000 0.000 0.316 603 G C -0.630 174.142 174.900 -0.212 0.000 1.270 603 G CA -0.349 44.678 45.100 -0.121 0.000 0.982 603 G HN 0.600 nan 8.290 nan 0.000 0.506 604 N N 0.098 118.491 118.700 -0.512 0.000 2.525 604 N HA 0.530 5.270 4.740 0.000 0.000 0.271 604 N C 0.863 176.119 175.510 -0.424 0.000 1.194 604 N CA 0.034 52.782 53.050 -0.504 0.000 0.964 604 N CB 0.867 38.798 38.487 -0.927 0.000 1.126 604 N HN 0.474 nan 8.380 nan 0.000 0.452 605 K N 1.823 122.089 120.400 -0.223 0.000 2.438 605 K HA 0.134 4.454 4.320 0.000 0.000 0.206 605 K C 0.402 176.891 176.600 -0.185 0.000 1.081 605 K CA 0.047 56.228 56.287 -0.176 0.000 1.053 605 K CB 0.379 32.832 32.500 -0.078 0.000 0.908 605 K HN 0.611 nan 8.250 nan 0.000 0.556 606 K N 1.107 121.406 120.400 -0.169 0.000 2.519 606 K HA -0.042 4.278 4.320 0.000 0.000 0.196 606 K C 1.025 177.527 176.600 -0.163 0.000 1.041 606 K CA 0.389 56.582 56.287 -0.156 0.000 0.954 606 K CB -0.092 32.451 32.500 0.072 0.000 0.774 606 K HN 0.077 nan 8.250 nan 0.000 0.480 607 G N 1.640 110.338 108.800 -0.171 0.000 2.441 607 G HA2 0.145 4.105 3.960 0.000 0.000 0.243 607 G HA3 0.145 4.105 3.960 0.000 0.000 0.243 607 G C 0.811 175.582 174.900 -0.215 0.000 1.281 607 G CA -0.499 44.496 45.100 -0.174 0.000 0.854 607 G HN 0.318 nan 8.290 nan 0.000 0.560 608 I N -1.312 119.084 120.570 -0.290 0.000 3.564 608 I HA 0.411 4.581 4.170 0.000 0.000 0.294 608 I C -0.553 175.130 176.117 -0.723 0.000 1.289 608 I CA -0.090 60.937 61.300 -0.455 0.000 1.325 608 I CB -0.160 37.542 38.000 -0.497 0.000 1.039 608 I HN 0.076 nan 8.210 nan 0.000 0.474 609 F N 0.794 120.594 119.950 -0.250 0.000 2.565 609 F HA 0.478 5.005 4.527 0.000 0.000 0.313 609 F C 0.639 176.329 175.800 -0.184 0.000 1.091 609 F CA -0.879 56.968 58.000 -0.254 0.000 0.915 609 F CB 1.738 40.455 39.000 -0.471 0.000 1.208 609 F HN -0.227 nan 8.300 nan 0.000 0.453 610 T N 1.422 116.014 114.554 0.062 0.000 2.748 610 T HA 0.105 4.455 4.350 0.000 0.000 0.304 610 T C 1.536 176.244 174.700 0.013 0.000 1.041 610 T CA -0.503 61.601 62.100 0.007 0.000 1.033 610 T CB 0.681 69.551 68.868 0.003 0.000 0.995 610 T HN 0.637 nan 8.240 nan 0.000 0.536 611 R N 0.191 120.688 120.500 -0.005 0.000 2.103 611 R HA -0.157 4.183 4.340 0.000 0.000 0.242 611 R C 1.567 177.867 176.300 0.000 0.000 1.142 611 R CA 1.598 57.703 56.100 0.009 0.000 0.960 611 R CB -0.212 30.088 30.300 0.000 0.000 0.858 611 R HN 0.540 nan 8.270 nan 0.000 0.439 612 Q N 0.226 120.020 119.800 -0.010 0.000 2.408 612 Q HA 0.028 4.368 4.340 0.000 0.000 0.214 612 Q C -0.204 175.775 176.000 -0.034 0.000 0.957 612 Q CA 0.314 56.105 55.803 -0.021 0.000 0.965 612 Q CB 0.196 28.922 28.738 -0.019 0.000 0.991 612 Q HN 0.165 nan 8.270 nan 0.000 0.505 613 R N -1.096 119.379 120.500 -0.041 0.000 4.000 613 R HA -0.174 4.166 4.340 0.000 0.000 0.348 613 R C -0.670 175.574 176.300 -0.093 0.000 1.204 613 R CA 0.764 56.794 56.100 -0.117 0.000 0.987 613 R CB -1.389 28.806 30.300 -0.175 0.000 1.446 613 R HN 0.225 nan 8.270 nan 0.000 0.555 614 Q N 0.085 119.904 119.800 0.032 0.000 2.235 614 Q HA 0.401 4.741 4.340 0.000 0.000 0.250 614 Q C -2.133 174.019 176.000 0.252 0.000 0.909 614 Q CA -2.528 53.327 55.803 0.086 0.000 0.910 614 Q CB 0.778 29.541 28.738 0.041 0.000 1.223 614 Q HN -0.071 nan 8.270 nan 0.000 0.432 615 P HA 0.068 nan 4.420 nan 0.000 0.269 615 P C -0.381 177.006 177.300 0.145 0.000 1.217 615 P CA 0.158 63.398 63.100 0.233 0.000 0.783 615 P CB 0.802 32.749 31.700 0.411 0.000 0.898 616 K N -0.115 120.314 120.400 0.048 0.000 2.316 616 K HA 0.306 4.626 4.320 0.000 0.000 0.234 616 K C 1.562 178.245 176.600 0.138 0.000 1.054 616 K CA -0.441 55.868 56.287 0.036 0.000 0.879 616 K CB 1.010 33.467 32.500 -0.073 0.000 1.252 616 K HN 0.345 nan 8.250 nan 0.000 0.471 617 S N 0.036 115.780 115.700 0.073 0.000 2.368 617 S HA -0.201 4.269 4.470 0.000 0.000 0.225 617 S C 2.032 176.720 174.600 0.148 0.000 1.030 617 S CA 1.274 59.520 58.200 0.077 0.000 0.999 617 S CB -0.507 62.714 63.200 0.035 0.000 0.844 617 S HN 0.653 nan 8.310 nan 0.000 0.459 618 A N 2.029 124.878 122.820 0.049 0.000 2.019 618 A HA 0.321 4.641 4.320 0.000 0.000 0.219 618 A C 2.443 179.999 177.584 -0.047 0.000 1.164 618 A CA 1.473 53.508 52.037 -0.003 0.000 0.644 618 A CB -1.301 17.656 19.000 -0.072 0.000 0.805 618 A HN 0.763 nan 8.150 nan 0.000 0.449 619 A N -1.042 121.725 122.820 -0.088 0.000 1.986 619 A HA -0.061 4.259 4.320 0.000 0.000 0.220 619 A C 1.841 179.311 177.584 -0.191 0.000 1.171 619 A CA 1.630 53.489 52.037 -0.296 0.000 0.640 619 A CB -0.682 18.047 19.000 -0.452 0.000 0.811 619 A HN 0.491 nan 8.150 nan 0.000 0.451 620 F N -0.604 119.315 119.950 -0.052 0.000 2.270 620 F HA 0.041 4.568 4.527 0.000 0.000 0.295 620 F C 2.089 177.828 175.800 -0.102 0.000 1.087 620 F CA 1.049 59.035 58.000 -0.023 0.000 1.365 620 F CB -0.432 38.607 39.000 0.064 0.000 1.056 620 F HN 0.299 nan 8.300 nan 0.000 0.506 621 L N -0.737 120.540 121.223 0.090 0.000 2.201 621 L HA -0.102 4.238 4.340 0.000 0.000 0.212 621 L C 1.997 178.812 176.870 -0.092 0.000 1.105 621 L CA 1.267 56.116 54.840 0.015 0.000 0.775 621 L CB -0.314 41.770 42.059 0.041 0.000 0.913 621 L HN 0.209 nan 8.230 nan 0.000 0.440 622 L N 0.571 121.679 121.223 -0.191 0.000 2.044 622 L HA -0.137 4.203 4.340 0.000 0.000 0.205 622 L C 3.091 179.614 176.870 -0.579 0.000 1.075 622 L CA 1.495 56.087 54.840 -0.414 0.000 0.747 622 L CB -0.271 41.514 42.059 -0.457 0.000 0.903 622 L HN 0.444 nan 8.230 nan 0.000 0.435 623 R N -0.314 119.926 120.500 -0.433 0.000 2.152 623 R HA -0.230 4.110 4.340 0.000 0.000 0.232 623 R C 1.849 178.128 176.300 -0.036 0.000 1.117 623 R CA 1.589 57.522 56.100 -0.280 0.000 0.981 623 R CB -0.607 29.414 30.300 -0.464 0.000 0.870 623 R HN 0.460 nan 8.270 nan 0.000 0.451 624 E N 1.745 121.887 120.200 -0.097 0.000 2.150 624 E HA -0.222 4.128 4.350 0.000 0.000 0.193 624 E C 2.188 178.757 176.600 -0.052 0.000 0.985 624 E CA 0.896 57.276 56.400 -0.033 0.000 0.814 624 E CB 0.068 29.744 29.700 -0.039 0.000 0.752 624 E HN 0.415 nan 8.360 nan 0.000 0.466 625 R N -0.418 119.983 120.500 -0.165 0.000 2.070 625 R HA -0.198 4.142 4.340 0.000 0.000 0.232 625 R C 2.081 178.323 176.300 -0.096 0.000 1.138 625 R CA 1.853 57.829 56.100 -0.207 0.000 0.936 625 R CB -0.655 29.387 30.300 -0.430 0.000 0.839 625 R HN 0.166 nan 8.270 nan 0.000 0.429 626 Y N -0.261 119.872 120.300 -0.279 0.000 2.114 626 Y HA -0.247 4.303 4.550 0.000 0.000 0.282 626 Y C 2.104 177.682 175.900 -0.537 0.000 1.165 626 Y CA 0.931 58.740 58.100 -0.484 0.000 1.148 626 Y CB -1.175 37.052 38.460 -0.388 0.000 0.972 626 Y HN 0.233 nan 8.280 nan 0.000 0.504 627 W N 0.655 121.863 121.300 -0.154 0.000 2.436 627 W HA -0.062 4.598 4.660 0.000 0.000 0.284 627 W C 2.546 178.955 176.519 -0.184 0.000 1.225 627 W CA 1.491 58.733 57.345 -0.172 0.000 1.271 627 W CB -0.432 28.951 29.460 -0.128 0.000 1.114 627 W HN -0.034 nan 8.180 nan 0.000 0.559 628 K N 1.106 121.514 120.400 0.013 0.000 1.985 628 K HA -0.202 4.118 4.320 0.000 0.000 0.210 628 K C 1.768 178.286 176.600 -0.136 0.000 1.047 628 K CA 2.044 58.299 56.287 -0.053 0.000 0.932 628 K CB -0.730 31.726 32.500 -0.072 0.000 0.716 628 K HN 0.136 nan 8.250 nan 0.000 0.439 629 I N 1.600 122.029 120.570 -0.235 0.000 2.163 629 I HA -0.263 3.907 4.170 0.000 0.000 0.243 629 I C 2.573 178.484 176.117 -0.344 0.000 1.085 629 I CA 1.391 62.484 61.300 -0.344 0.000 1.347 629 I CB -0.467 37.217 38.000 -0.527 0.000 1.044 629 I HN 0.349 nan 8.210 nan 0.000 0.408 630 A N 0.361 122.931 122.820 -0.418 0.000 2.178 630 A HA -0.179 4.141 4.320 0.000 0.000 0.218 630 A C 1.705 179.184 177.584 -0.175 0.000 1.157 630 A CA 1.734 53.580 52.037 -0.318 0.000 0.689 630 A CB -0.658 18.094 19.000 -0.413 0.000 0.787 630 A HN 0.447 nan 8.150 nan 0.000 0.465 631 N N -0.095 118.528 118.700 -0.129 0.000 2.280 631 N HA 0.079 4.819 4.740 0.000 0.000 0.192 631 N C 0.417 175.883 175.510 -0.072 0.000 1.109 631 N CA 0.488 53.496 53.050 -0.069 0.000 0.855 631 N CB 0.224 38.698 38.487 -0.022 0.000 0.974 631 N HN 0.823 nan 8.380 nan 0.000 0.482 632 E N 0.000 120.140 120.200 -0.099 0.000 2.725 632 E HA 0.000 4.350 4.350 0.000 0.000 0.291 632 E CA 0.000 56.351 56.400 -0.081 0.000 0.976 632 E CB 0.000 29.645 29.700 -0.092 0.000 0.812 632 E HN 0.000 nan 8.360 nan 0.000 0.440