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 2vpz_1_A DATA FIRST_RESID 30 DATA SEQUENCE APWYAQEVKS VYQICEGCFW RCGIVAHAVG NRVYKVEGYE ANPKSRGRLC DATA SEQUENCE PRGQGAPQTT YDPDRLKRPL IRVEGSQRGE GKYRVATWEE ALDHIAKKML DATA SEQUENCE EIREKYGPEA IAFFGHGTGD YWFVDFLPAA WGSPNAAKPS VSLCTAPREV DATA SEQUENCE ASQWVFGRPI GGHEPIDWEN ARYIVLIGHH IGEDTHNTQL QDFALALKNG DATA SEQUENCE AKVVVVDPRF STAAAKAHRW LPIKPGTDTA LLLAWIHVLI YEDLYDKEYV DATA SEQUENCE AKYTVGFEEL KAHVKDFTPE WAEKHTEIPA QVIREVAREM AAHKPRAVLP DATA SEQUENCE PTRHNVWYGD DTYRVMALLY VNVLLGNYGR PGGFYIAQSP YLEKYPLPPL DATA SEQUENCE PLEPAAGGCS GPSGGDHEPE GFKPRADKGK FFARSTAIQE LIEPMITGEP DATA SEQUENCE YPIKGLFAYG INLFHSIPNV PRTKEALKNL DLYVAIDVLP QEHVMWADVI DATA SEQUENCE LPEATYLERY DDFVLVAHKT PFIQLRTPAH EPLFDTKPGW WIARELGLRL DATA SEQUENCE GLEQYFPWKT IEEYLETRLQ SLGLDLETMK GMGTLVQRGK PWLEDWEKEG DATA SEQUENCE RLPFGTASGK IELYCQRFKE AGHQPLPVFT PPEEPPEGFY RLLYGRSPVH DATA SEQUENCE TFARTQNNWV LMEMDPENEV WIHKEEAKRL GLKEGDYVML VNQDGVKEGP DATA SEQUENCE VRVKPTARIR KDCVYIVHGF GHKAPLMRLA HGRGASDNYL QTRYKLDPIS DATA SEQUENCE GGAGLRVNFV RLEKAERPRL PSLTGLAKRP FDERR 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 30 A HA 0.000 nan 4.320 nan 0.000 0.244 30 A C 0.000 177.441 177.584 -0.238 0.000 1.274 30 A CA 0.000 51.948 52.037 -0.148 0.000 0.836 30 A CB 0.000 18.941 19.000 -0.099 0.000 0.831 31 P HA 0.084 nan 4.420 nan 0.000 0.266 31 P C 0.966 177.820 177.300 -0.743 0.000 1.195 31 P CA -0.041 62.691 63.100 -0.612 0.000 0.768 31 P CB 0.094 31.181 31.700 -1.021 0.000 0.838 32 W N 3.361 124.238 121.300 -0.704 0.000 2.358 32 W HA -0.239 4.421 4.660 -0.000 0.000 0.303 32 W C 1.261 177.504 176.519 -0.460 0.000 1.208 32 W CA 1.184 58.098 57.345 -0.720 0.000 1.274 32 W CB -1.820 26.992 29.460 -1.080 0.000 1.138 32 W HN 0.476 nan 8.180 nan 0.000 0.515 33 Y N 0.530 119.935 120.300 -1.490 0.000 2.574 33 Y HA 0.393 4.943 4.550 -0.000 0.000 0.294 33 Y C 2.390 177.953 175.900 -0.560 0.000 1.142 33 Y CA 1.003 58.337 58.100 -1.276 0.000 1.314 33 Y CB -1.524 36.025 38.460 -1.518 0.000 0.991 33 Y HN -0.031 nan 8.280 nan 0.000 0.555 34 A N -0.274 122.157 122.820 -0.647 0.000 2.115 34 A HA 0.095 4.415 4.320 -0.000 0.000 0.211 34 A C 1.116 178.563 177.584 -0.228 0.000 1.169 34 A CA -0.187 51.650 52.037 -0.333 0.000 0.787 34 A CB -0.202 18.586 19.000 -0.353 0.000 0.858 34 A HN 0.490 nan 8.150 nan 0.000 0.474 35 Q N 1.117 120.765 119.800 -0.252 0.000 2.312 35 Q HA 0.212 4.552 4.340 -0.000 0.000 0.236 35 Q C -0.261 175.698 176.000 -0.068 0.000 0.965 35 Q CA -0.602 55.118 55.803 -0.139 0.000 0.894 35 Q CB 0.576 29.236 28.738 -0.131 0.000 1.225 35 Q HN 0.600 nan 8.270 nan 0.000 0.478 36 E N 0.994 121.179 120.200 -0.024 0.000 2.529 36 E HA -0.007 4.343 4.350 -0.000 0.000 0.259 36 E C -0.850 175.790 176.600 0.067 0.000 0.966 36 E CA 0.242 56.651 56.400 0.014 0.000 0.937 36 E CB 0.269 29.978 29.700 0.016 0.000 0.923 36 E HN 0.169 nan 8.360 nan 0.000 0.468 37 V N 2.410 122.379 119.914 0.090 0.000 3.074 37 V HA 0.467 4.587 4.120 -0.000 0.000 0.314 37 V C -0.290 175.878 176.094 0.123 0.000 1.117 37 V CA -1.105 61.291 62.300 0.160 0.000 1.014 37 V CB 2.196 34.174 31.823 0.259 0.000 1.057 37 V HN 0.604 nan 8.190 nan 0.000 0.438 38 K N 1.333 121.813 120.400 0.133 0.000 2.507 38 K HA 0.639 4.959 4.320 -0.000 0.000 0.252 38 K C -0.977 175.671 176.600 0.079 0.000 0.943 38 K CA -0.344 55.992 56.287 0.081 0.000 0.808 38 K CB 2.062 34.594 32.500 0.054 0.000 1.142 38 K HN 0.632 nan 8.250 nan 0.000 0.426 39 S N 0.624 116.345 115.700 0.036 0.000 2.722 39 S HA 0.766 5.236 4.470 -0.000 0.000 0.292 39 S C -0.231 174.284 174.600 -0.142 0.000 1.135 39 S CA -0.750 57.419 58.200 -0.052 0.000 1.003 39 S CB 1.537 64.698 63.200 -0.066 0.000 1.067 39 S HN 0.459 nan 8.310 nan 0.000 0.546 40 V N -1.093 118.681 119.914 -0.233 0.000 3.167 40 V HA 0.504 4.624 4.120 -0.000 0.000 0.293 40 V C -2.053 173.874 176.094 -0.277 0.000 1.379 40 V CA -1.132 61.033 62.300 -0.224 0.000 1.019 40 V CB 0.800 32.548 31.823 -0.126 0.000 1.115 40 V HN 0.857 nan 8.190 nan 0.000 0.442 41 Y N 1.608 121.842 120.300 -0.110 0.000 2.365 41 Y HA 0.715 5.265 4.550 -0.000 0.000 0.340 41 Y C 0.366 176.261 175.900 -0.007 0.000 1.016 41 Y CA 0.320 58.355 58.100 -0.109 0.000 1.196 41 Y CB 1.688 40.079 38.460 -0.115 0.000 1.167 41 Y HN 0.851 nan 8.280 nan 0.000 0.509 42 Q N 3.265 123.205 119.800 0.233 0.000 2.309 42 Q HA 0.454 4.794 4.340 -0.000 0.000 0.273 42 Q C -1.342 174.809 176.000 0.252 0.000 1.040 42 Q CA -0.529 55.387 55.803 0.188 0.000 0.834 42 Q CB 1.463 30.254 28.738 0.088 0.000 1.345 42 Q HN 0.613 nan 8.270 nan 0.000 0.414 43 I N 1.572 122.285 120.570 0.237 0.000 2.638 43 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 43 I C 0.325 176.568 176.117 0.210 0.000 1.088 43 I CA -0.717 60.710 61.300 0.212 0.000 1.397 43 I CB 0.791 38.894 38.000 0.173 0.000 1.414 43 I HN 0.637 nan 8.210 nan 0.000 0.566 44 C N 5.588 124.945 119.300 0.095 0.000 2.415 44 C HA 0.201 4.661 4.460 -0.000 0.000 0.369 44 C C 1.204 176.011 174.990 -0.305 0.000 1.279 44 C CA -0.267 58.684 59.018 -0.111 0.000 1.886 44 C CB 0.160 27.878 27.740 -0.035 0.000 2.468 44 C HN 0.891 nan 8.230 nan 0.000 0.553 45 E N 2.583 122.281 120.200 -0.837 0.000 2.465 45 E HA 0.208 4.558 4.350 -0.000 0.000 0.195 45 E C 1.754 178.125 176.600 -0.382 0.000 1.028 45 E CA 0.715 56.828 56.400 -0.479 0.000 0.899 45 E CB -0.101 29.368 29.700 -0.384 0.000 1.032 45 E HN 1.010 nan 8.360 nan 0.000 0.468 46 G N 0.193 108.755 108.800 -0.397 0.000 2.503 46 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.221 46 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.221 46 G C 0.891 175.643 174.900 -0.247 0.000 1.131 46 G CA 1.231 46.173 45.100 -0.264 0.000 0.756 46 G HN 0.513 nan 8.290 nan 0.000 0.572 47 C N -4.299 114.871 119.300 -0.216 0.000 3.266 47 C HA 0.661 5.121 4.460 -0.000 0.000 0.369 47 C C 0.901 175.814 174.990 -0.128 0.000 1.580 47 C CA -1.185 57.617 59.018 -0.362 0.000 1.165 47 C CB -0.081 27.466 27.740 -0.321 0.000 1.835 47 C HN 0.114 nan 8.230 nan 0.000 0.433 48 F N 0.104 120.164 119.950 0.184 0.000 2.811 48 F HA 0.166 4.693 4.527 -0.000 0.000 0.301 48 F C 1.940 177.834 175.800 0.156 0.000 1.151 48 F CA -0.027 58.060 58.000 0.146 0.000 1.412 48 F CB 0.006 39.088 39.000 0.137 0.000 1.113 48 F HN 0.696 nan 8.300 nan 0.000 0.579 49 W N 2.301 123.611 121.300 0.017 0.000 2.425 49 W HA -0.101 4.559 4.660 -0.000 0.000 0.277 49 W C 0.578 177.109 176.519 0.020 0.000 1.231 49 W CA 1.026 58.305 57.345 -0.110 0.000 1.248 49 W CB -0.011 29.307 29.460 -0.236 0.000 1.117 49 W HN 0.035 nan 8.180 nan 0.000 0.568 50 R N -0.370 120.241 120.500 0.185 0.000 3.264 50 R HA -0.206 4.134 4.340 -0.000 0.000 0.251 50 R C -0.039 176.333 176.300 0.120 0.000 0.971 50 R CA 0.528 56.699 56.100 0.117 0.000 0.658 50 R CB -2.672 27.680 30.300 0.085 0.000 1.095 50 R HN -0.032 nan 8.270 nan 0.000 0.443 51 C N 0.192 119.595 119.300 0.172 0.000 2.657 51 C HA 0.291 4.751 4.460 -0.000 0.000 0.420 51 C C 1.869 176.934 174.990 0.124 0.000 1.323 51 C CA -0.073 59.044 59.018 0.165 0.000 1.894 51 C CB 0.363 28.214 27.740 0.186 0.000 2.681 51 C HN 0.630 nan 8.230 nan 0.000 0.613 52 G N 2.439 111.277 108.800 0.063 0.000 2.370 52 G HA2 0.550 4.510 3.960 -0.000 0.000 0.272 52 G HA3 0.550 4.510 3.960 -0.000 0.000 0.272 52 G C -0.553 174.466 174.900 0.198 0.000 1.208 52 G CA -0.287 44.869 45.100 0.093 0.000 0.856 52 G HN 0.913 nan 8.290 nan 0.000 0.500 53 I N -0.599 120.221 120.570 0.417 0.000 3.074 53 I HA 0.744 4.914 4.170 -0.000 0.000 0.310 53 I C -0.862 175.467 176.117 0.355 0.000 1.153 53 I CA -1.420 60.116 61.300 0.393 0.000 0.993 53 I CB 2.384 40.517 38.000 0.221 0.000 1.237 53 I HN 0.222 nan 8.210 nan 0.000 0.443 54 V N 2.692 122.704 119.914 0.164 0.000 2.435 54 V HA 0.798 4.918 4.120 -0.000 0.000 0.290 54 V C 0.317 176.252 176.094 -0.264 0.000 1.030 54 V CA -0.393 61.829 62.300 -0.130 0.000 0.881 54 V CB 1.380 33.047 31.823 -0.261 0.000 0.983 54 V HN 0.937 nan 8.190 nan 0.000 0.445 55 A N 4.016 126.659 122.820 -0.296 0.000 2.318 55 A HA 0.703 5.023 4.320 -0.000 0.000 0.324 55 A C -0.513 176.869 177.584 -0.336 0.000 1.170 55 A CA -0.577 51.296 52.037 -0.274 0.000 0.810 55 A CB 0.428 19.338 19.000 -0.151 0.000 1.198 55 A HN 0.885 nan 8.150 nan 0.000 0.484 56 H N 1.806 120.848 119.070 -0.047 0.000 2.641 56 H HA 0.551 5.107 4.556 -0.000 0.000 0.295 56 H C 0.140 175.461 175.328 -0.011 0.000 1.070 56 H CA 0.153 56.201 56.048 0.001 0.000 1.257 56 H CB 1.265 31.055 29.762 0.046 0.000 1.393 56 H HN 0.793 nan 8.280 nan 0.000 0.464 57 A N 2.971 125.878 122.820 0.145 0.000 2.320 57 A HA 0.601 4.921 4.320 -0.000 0.000 0.334 57 A C -0.362 177.349 177.584 0.211 0.000 1.147 57 A CA -0.667 51.452 52.037 0.138 0.000 0.820 57 A CB 1.326 20.389 19.000 0.104 0.000 1.218 57 A HN 0.441 nan 8.150 nan 0.000 0.482 58 V N 2.330 122.388 119.914 0.241 0.000 2.398 58 V HA 0.597 4.717 4.120 -0.000 0.000 0.282 58 V C 0.860 177.034 176.094 0.135 0.000 1.014 58 V CA 0.693 63.128 62.300 0.225 0.000 0.838 58 V CB 0.091 32.097 31.823 0.306 0.000 1.018 58 V HN 2.135 nan 8.190 nan 0.000 0.432 59 G N 5.145 113.986 108.800 0.067 0.000 2.528 59 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.262 59 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.262 59 G C 0.369 175.230 174.900 -0.065 0.000 1.200 59 G CA 0.537 45.642 45.100 0.008 0.000 0.951 59 G HN 0.680 nan 8.290 nan 0.000 0.566 60 N N 1.132 119.728 118.700 -0.174 0.000 2.623 60 N HA 0.350 5.090 4.740 -0.000 0.000 0.263 60 N C 0.266 175.423 175.510 -0.589 0.000 1.218 60 N CA 0.205 52.972 53.050 -0.471 0.000 0.949 60 N CB 0.044 38.297 38.487 -0.391 0.000 1.270 60 N HN 0.587 nan 8.380 nan 0.000 0.507 61 R N -0.205 120.084 120.500 -0.351 0.000 2.523 61 R HA 0.170 4.510 4.340 -0.000 0.000 0.278 61 R C -1.848 174.216 176.300 -0.394 0.000 1.150 61 R CA -0.471 55.324 56.100 -0.509 0.000 0.987 61 R CB 0.773 30.561 30.300 -0.853 0.000 1.232 61 R HN -0.180 nan 8.270 nan 0.000 0.424 62 V N 6.883 126.669 119.914 -0.213 0.000 2.387 62 V HA 0.138 4.258 4.120 -0.000 0.000 0.260 62 V C 0.211 176.066 176.094 -0.398 0.000 1.054 62 V CA 0.170 62.373 62.300 -0.162 0.000 0.967 62 V CB 0.399 32.211 31.823 -0.017 0.000 1.036 62 V HN 0.815 nan 8.190 nan 0.000 0.481 63 Y N 3.172 123.240 120.300 -0.388 0.000 2.420 63 Y HA 0.178 4.728 4.550 -0.000 0.000 0.292 63 Y C 1.258 176.708 175.900 -0.750 0.000 1.119 63 Y CA 0.561 58.271 58.100 -0.650 0.000 1.229 63 Y CB 0.473 38.316 38.460 -1.028 0.000 1.026 63 Y HN 0.438 nan 8.280 nan 0.000 0.554 64 K N -0.670 119.413 120.400 -0.529 0.000 2.546 64 K HA 0.613 4.933 4.320 -0.000 0.000 0.264 64 K C -1.991 174.573 176.600 -0.060 0.000 0.937 64 K CA -0.668 55.442 56.287 -0.295 0.000 0.833 64 K CB 2.113 34.379 32.500 -0.390 0.000 1.378 64 K HN -0.261 nan 8.250 nan 0.000 0.432 65 V N 1.890 121.814 119.914 0.016 0.000 2.925 65 V HA 0.705 4.825 4.120 -0.000 0.000 0.311 65 V C -1.350 174.796 176.094 0.087 0.000 1.104 65 V CA -0.467 61.842 62.300 0.016 0.000 0.954 65 V CB 2.241 34.084 31.823 0.032 0.000 1.022 65 V HN 0.904 nan 8.190 nan 0.000 0.427 66 E N 1.171 121.424 120.200 0.089 0.000 2.390 66 E HA 0.679 5.029 4.350 -0.000 0.000 0.277 66 E C -0.100 176.607 176.600 0.178 0.000 0.939 66 E CA -0.005 56.483 56.400 0.147 0.000 0.769 66 E CB 2.138 31.968 29.700 0.217 0.000 1.251 66 E HN 0.892 nan 8.360 nan 0.000 0.450 67 G N 0.513 109.411 108.800 0.163 0.000 2.621 67 G HA2 0.430 4.390 3.960 -0.000 0.000 0.271 67 G HA3 0.430 4.390 3.960 -0.000 0.000 0.271 67 G C -1.160 173.906 174.900 0.276 0.000 1.236 67 G CA 0.024 45.228 45.100 0.173 0.000 0.958 67 G HN 0.495 nan 8.290 nan 0.000 0.512 68 Y N -2.616 117.735 120.300 0.086 0.000 2.504 68 Y HA 0.539 5.089 4.550 -0.000 0.000 0.344 68 Y C 0.907 176.831 175.900 0.041 0.000 1.023 68 Y CA -1.150 57.006 58.100 0.093 0.000 1.020 68 Y CB 1.255 39.821 38.460 0.175 0.000 1.282 68 Y HN 0.464 nan 8.280 nan 0.000 0.454 69 E N 2.589 122.883 120.200 0.156 0.000 2.035 69 E HA -0.316 4.034 4.350 -0.000 0.000 0.204 69 E C 2.159 178.732 176.600 -0.045 0.000 1.025 69 E CA 2.173 58.601 56.400 0.047 0.000 0.835 69 E CB -0.644 29.100 29.700 0.073 0.000 0.764 69 E HN 0.925 nan 8.360 nan 0.000 0.457 70 A N 1.737 124.557 122.820 0.000 0.000 1.903 70 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 70 A C 1.417 178.819 177.584 -0.302 0.000 1.191 70 A CA 1.371 53.351 52.037 -0.094 0.000 0.638 70 A CB -1.008 17.993 19.000 0.001 0.000 0.823 70 A HN 0.319 nan 8.150 nan 0.000 0.451 71 N N 0.564 118.949 118.700 -0.525 0.000 2.374 71 N HA 0.074 4.814 4.740 -0.000 0.000 0.269 71 N C -1.990 173.167 175.510 -0.588 0.000 1.310 71 N CA -0.791 51.827 53.050 -0.720 0.000 0.877 71 N CB 0.681 38.538 38.487 -1.049 0.000 1.096 71 N HN 0.050 nan 8.380 nan 0.000 0.484 72 P HA -0.124 nan 4.420 nan 0.000 0.228 72 P C 0.276 177.388 177.300 -0.313 0.000 1.151 72 P CA 1.225 63.910 63.100 -0.692 0.000 0.770 72 P CB 0.279 31.255 31.700 -1.206 0.000 0.786 73 K N -0.609 119.661 120.400 -0.216 0.000 2.108 73 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 73 K C 2.252 178.927 176.600 0.124 0.000 1.036 73 K CA 1.582 57.948 56.287 0.131 0.000 0.965 73 K CB -0.348 32.263 32.500 0.186 0.000 0.804 73 K HN 0.146 nan 8.250 nan 0.000 0.454 74 S N 0.779 116.476 115.700 -0.005 0.000 2.377 74 S HA -0.030 4.440 4.470 -0.000 0.000 0.223 74 S C 0.684 175.274 174.600 -0.016 0.000 1.030 74 S CA 0.144 58.350 58.200 0.009 0.000 0.970 74 S CB -0.275 62.921 63.200 -0.007 0.000 0.830 74 S HN 0.235 nan 8.310 nan 0.000 0.473 75 R N 1.374 121.821 120.500 -0.088 0.000 3.502 75 R HA -0.178 4.162 4.340 -0.000 0.000 0.266 75 R C 1.113 177.413 176.300 -0.000 0.000 1.077 75 R CA 0.279 56.344 56.100 -0.058 0.000 0.718 75 R CB -2.443 27.842 30.300 -0.025 0.000 1.120 75 R HN 0.921 nan 8.270 nan 0.000 0.457 76 G N -1.270 107.545 108.800 0.025 0.000 2.258 76 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.233 76 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.233 76 G C 0.210 175.150 174.900 0.066 0.000 1.006 76 G CA 0.230 45.372 45.100 0.070 0.000 0.620 76 G HN 0.296 nan 8.290 nan 0.000 0.511 77 R N -0.357 120.170 120.500 0.045 0.000 2.608 77 R HA 0.903 5.242 4.340 -0.000 0.000 0.255 77 R C -0.797 175.528 176.300 0.042 0.000 1.086 77 R CA -0.606 55.517 56.100 0.038 0.000 1.125 77 R CB 1.128 31.440 30.300 0.019 0.000 1.193 77 R HN 0.420 nan 8.270 nan 0.000 0.553 78 L N -0.023 121.216 121.223 0.027 0.000 2.545 78 L HA 0.238 4.578 4.340 -0.000 0.000 0.258 78 L C -0.478 176.384 176.870 -0.013 0.000 0.942 78 L CA -0.657 54.195 54.840 0.020 0.000 0.855 78 L CB 1.528 43.609 42.059 0.037 0.000 1.374 78 L HN 1.020 nan 8.230 nan 0.000 0.411 79 C N 2.644 121.922 119.300 -0.037 0.000 2.480 79 C HA 0.582 5.042 4.460 -0.000 0.000 0.358 79 C C -0.890 174.057 174.990 -0.071 0.000 1.309 79 C CA -0.793 58.182 59.018 -0.071 0.000 2.465 79 C CB 0.821 28.495 27.740 -0.110 0.000 2.379 79 C HN 0.816 nan 8.230 nan 0.000 0.642 80 P HA -0.163 nan 4.420 nan 0.000 0.216 80 P C 1.447 178.678 177.300 -0.115 0.000 1.153 80 P CA 1.848 64.891 63.100 -0.096 0.000 0.858 80 P CB -0.115 31.520 31.700 -0.108 0.000 0.789 81 R N -0.438 119.980 120.500 -0.136 0.000 2.120 81 R HA -0.039 4.301 4.340 -0.000 0.000 0.234 81 R C 2.758 178.989 176.300 -0.116 0.000 1.123 81 R CA 1.547 57.557 56.100 -0.150 0.000 0.975 81 R CB -1.214 28.977 30.300 -0.181 0.000 0.866 81 R HN 0.278 nan 8.270 nan 0.000 0.446 82 G N 0.445 109.194 108.800 -0.084 0.000 2.402 82 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 82 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 82 G C 1.289 176.177 174.900 -0.020 0.000 1.162 82 G CA 0.157 45.230 45.100 -0.045 0.000 0.777 82 G HN 0.179 nan 8.290 nan 0.000 0.539 83 Q N 0.308 120.088 119.800 -0.034 0.000 2.119 83 Q HA -0.043 4.297 4.340 -0.000 0.000 0.201 83 Q C 2.674 178.636 176.000 -0.062 0.000 0.972 83 Q CA 1.489 57.274 55.803 -0.030 0.000 0.847 83 Q CB -0.538 28.181 28.738 -0.031 0.000 0.903 83 Q HN 0.473 nan 8.270 nan 0.000 0.433 84 G N 0.055 108.796 108.800 -0.098 0.000 2.838 84 G HA2 0.119 4.079 3.960 -0.000 0.000 0.210 84 G HA3 0.119 4.079 3.960 -0.000 0.000 0.210 84 G C 1.515 176.341 174.900 -0.122 0.000 1.153 84 G CA 0.562 45.574 45.100 -0.147 0.000 0.778 84 G HN 0.368 nan 8.290 nan 0.000 0.539 85 A N 1.937 124.717 122.820 -0.067 0.000 1.958 85 A HA -0.069 4.251 4.320 -0.000 0.000 0.221 85 A C 0.595 178.219 177.584 0.067 0.000 1.178 85 A CA 1.881 53.912 52.037 -0.010 0.000 0.642 85 A CB -1.155 17.835 19.000 -0.017 0.000 0.816 85 A HN 0.364 nan 8.150 nan 0.000 0.453 86 P HA -0.146 nan 4.420 nan 0.000 0.225 86 P C 1.358 178.596 177.300 -0.104 0.000 1.148 86 P CA 1.454 64.546 63.100 -0.013 0.000 0.779 86 P CB -0.066 31.636 31.700 0.003 0.000 0.780 87 Q N -0.844 118.882 119.800 -0.124 0.000 2.364 87 Q HA -0.092 4.248 4.340 -0.000 0.000 0.207 87 Q C 1.492 177.365 176.000 -0.212 0.000 0.970 87 Q CA 1.905 57.619 55.803 -0.148 0.000 0.888 87 Q CB -1.912 26.651 28.738 -0.292 0.000 0.951 87 Q HN 0.038 nan 8.270 nan 0.000 0.469 88 T N 0.210 114.650 114.554 -0.190 0.000 2.833 88 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 88 T C 1.480 176.008 174.700 -0.287 0.000 1.054 88 T CA 1.751 63.752 62.100 -0.166 0.000 1.135 88 T CB -0.502 68.314 68.868 -0.088 0.000 0.869 88 T HN 0.537 nan 8.240 nan 0.000 0.466 89 T N 0.694 114.936 114.554 -0.520 0.000 2.915 89 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 89 T C 0.596 174.600 174.700 -1.160 0.000 1.071 89 T CA 0.944 62.558 62.100 -0.811 0.000 1.132 89 T CB -0.301 67.846 68.868 -1.201 0.000 0.878 89 T HN 0.606 nan 8.240 nan 0.000 0.479 90 Y N 0.774 120.692 120.300 -0.636 0.000 2.736 90 Y HA 0.420 4.970 4.550 -0.000 0.000 0.293 90 Y C 0.038 175.458 175.900 -0.800 0.000 1.062 90 Y CA -1.456 55.752 58.100 -1.486 0.000 1.247 90 Y CB 0.272 38.121 38.460 -1.018 0.000 1.200 90 Y HN -0.018 nan 8.280 nan 0.000 0.552 91 D N 2.410 122.661 120.400 -0.248 0.000 2.329 91 D HA 0.177 4.817 4.640 -0.000 0.000 0.232 91 D C -1.689 174.803 176.300 0.321 0.000 1.088 91 D CA -2.819 51.239 54.000 0.095 0.000 0.835 91 D CB 1.903 42.715 40.800 0.019 0.000 1.078 91 D HN -0.004 nan 8.370 nan 0.000 0.495 92 P HA -0.111 nan 4.420 nan 0.000 0.222 92 P C 0.019 177.374 177.300 0.091 0.000 1.142 92 P CA 0.909 64.177 63.100 0.280 0.000 0.788 92 P CB 0.492 32.314 31.700 0.204 0.000 0.767 93 D N -0.917 119.525 120.400 0.070 0.000 2.379 93 D HA 0.013 4.653 4.640 -0.000 0.000 0.208 93 D C 1.096 177.376 176.300 -0.033 0.000 1.065 93 D CA 0.014 54.011 54.000 -0.004 0.000 0.848 93 D CB -0.211 40.588 40.800 -0.002 0.000 0.949 93 D HN 0.365 nan 8.370 nan 0.000 0.509 94 R N 1.499 122.001 120.500 0.003 0.000 2.538 94 R HA 0.101 4.441 4.340 -0.000 0.000 0.282 94 R C 0.059 176.302 176.300 -0.094 0.000 1.009 94 R CA -0.254 55.836 56.100 -0.018 0.000 1.063 94 R CB 0.332 30.658 30.300 0.044 0.000 0.945 94 R HN -0.104 nan 8.270 nan 0.000 0.414 95 L N 4.061 125.226 121.223 -0.097 0.000 2.578 95 L HA -0.087 4.253 4.340 -0.000 0.000 0.279 95 L C 0.775 177.568 176.870 -0.128 0.000 1.227 95 L CA 0.616 55.376 54.840 -0.133 0.000 0.900 95 L CB 0.309 42.296 42.059 -0.120 0.000 1.144 95 L HN 0.863 nan 8.230 nan 0.000 0.496 96 K N 2.247 122.530 120.400 -0.195 0.000 2.362 96 K HA 0.216 4.536 4.320 -0.000 0.000 0.203 96 K C -0.006 176.558 176.600 -0.060 0.000 1.198 96 K CA -0.165 56.030 56.287 -0.153 0.000 0.908 96 K CB 0.383 32.593 32.500 -0.484 0.000 1.236 96 K HN 0.399 nan 8.250 nan 0.000 0.487 97 R N 1.261 121.677 120.500 -0.140 0.000 2.720 97 R HA 0.400 4.740 4.340 -0.000 0.000 0.272 97 R C -2.754 173.358 176.300 -0.313 0.000 0.991 97 R CA -2.260 53.731 56.100 -0.181 0.000 1.010 97 R CB -0.008 30.199 30.300 -0.155 0.000 1.141 97 R HN -0.127 nan 8.270 nan 0.000 0.494 98 P HA 0.130 nan 4.420 nan 0.000 0.270 98 P C -0.785 176.311 177.300 -0.340 0.000 1.223 98 P CA 0.057 62.819 63.100 -0.563 0.000 0.785 98 P CB 0.573 31.809 31.700 -0.773 0.000 0.923 99 L N 1.794 122.844 121.223 -0.288 0.000 2.455 99 L HA 0.545 4.885 4.340 -0.000 0.000 0.264 99 L C -0.217 176.602 176.870 -0.085 0.000 0.968 99 L CA -0.626 54.109 54.840 -0.175 0.000 0.827 99 L CB 1.944 43.859 42.059 -0.240 0.000 1.317 99 L HN 0.196 nan 8.230 nan 0.000 0.407 100 I N 1.756 122.313 120.570 -0.021 0.000 2.569 100 I HA 0.427 4.597 4.170 -0.000 0.000 0.296 100 I C 0.078 176.181 176.117 -0.023 0.000 1.028 100 I CA -0.731 60.529 61.300 -0.068 0.000 1.082 100 I CB 2.186 40.028 38.000 -0.263 0.000 1.264 100 I HN 0.521 nan 8.210 nan 0.000 0.429 101 R N 3.941 124.376 120.500 -0.109 0.000 2.458 101 R HA 0.174 4.514 4.340 -0.000 0.000 0.303 101 R C -0.676 175.459 176.300 -0.275 0.000 1.013 101 R CA -0.226 55.652 56.100 -0.371 0.000 1.026 101 R CB 0.514 30.642 30.300 -0.288 0.000 0.948 101 R HN 0.417 nan 8.270 nan 0.000 0.417 102 V N 4.847 124.580 119.914 -0.302 0.000 2.584 102 V HA -0.111 4.009 4.120 -0.000 0.000 0.303 102 V C 0.724 176.726 176.094 -0.153 0.000 1.035 102 V CA 0.689 62.874 62.300 -0.191 0.000 1.172 102 V CB 0.582 32.298 31.823 -0.178 0.000 0.896 102 V HN 0.650 nan 8.190 nan 0.000 0.486 103 E N 3.436 123.574 120.200 -0.103 0.000 2.417 103 E HA 0.321 4.671 4.350 -0.000 0.000 0.261 103 E C 1.110 177.668 176.600 -0.069 0.000 1.000 103 E CA 1.075 57.433 56.400 -0.070 0.000 0.919 103 E CB 0.635 30.312 29.700 -0.038 0.000 0.955 103 E HN 0.943 nan 8.360 nan 0.000 0.455 104 G N 2.876 111.637 108.800 -0.064 0.000 2.213 104 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 104 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 104 G C 0.259 175.110 174.900 -0.081 0.000 0.991 104 G CA 0.369 45.432 45.100 -0.061 0.000 0.629 104 G HN 0.798 nan 8.290 nan 0.000 0.517 105 S N 0.581 116.213 115.700 -0.113 0.000 2.525 105 S HA 0.694 5.164 4.470 -0.000 0.000 0.278 105 S C 0.030 174.539 174.600 -0.152 0.000 1.234 105 S CA -0.336 57.779 58.200 -0.141 0.000 1.058 105 S CB 2.252 65.339 63.200 -0.188 0.000 0.983 105 S HN 0.354 nan 8.310 nan 0.000 0.495 106 Q N 1.587 121.296 119.800 -0.151 0.000 2.395 106 Q HA 0.232 4.572 4.340 -0.000 0.000 0.271 106 Q C -0.001 175.857 176.000 -0.236 0.000 1.026 106 Q CA 0.545 56.248 55.803 -0.167 0.000 0.900 106 Q CB 0.341 28.978 28.738 -0.168 0.000 1.266 106 Q HN 0.662 nan 8.270 nan 0.000 0.430 107 R N 0.831 121.194 120.500 -0.229 0.000 2.370 107 R HA 0.353 4.693 4.340 -0.000 0.000 0.309 107 R C 0.749 176.568 176.300 -0.801 0.000 1.059 107 R CA 1.013 56.944 56.100 -0.282 0.000 0.981 107 R CB 0.084 30.367 30.300 -0.027 0.000 0.972 107 R HN 0.936 nan 8.270 nan 0.000 0.437 108 G N 2.521 110.730 108.800 -0.985 0.000 3.131 108 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.198 108 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.198 108 G C 0.016 174.610 174.900 -0.510 0.000 1.435 108 G CA -0.283 43.959 45.100 -1.430 0.000 1.016 108 G HN 0.590 nan 8.290 nan 0.000 0.499 109 E N 1.417 121.396 120.200 -0.368 0.000 2.467 109 E HA 0.388 4.738 4.350 -0.000 0.000 0.264 109 E C 1.133 177.633 176.600 -0.166 0.000 1.020 109 E CA 0.490 56.770 56.400 -0.200 0.000 0.945 109 E CB 0.369 29.953 29.700 -0.194 0.000 0.942 109 E HN 0.616 nan 8.360 nan 0.000 0.449 110 G N 3.805 112.560 108.800 -0.074 0.000 4.125 110 G HA2 0.081 4.041 3.960 -0.000 0.000 0.301 110 G HA3 0.081 4.041 3.960 -0.000 0.000 0.301 110 G C -0.402 174.490 174.900 -0.014 0.000 1.273 110 G CA -0.348 44.768 45.100 0.028 0.000 1.095 110 G HN 0.280 nan 8.290 nan 0.000 0.582 111 K N 1.005 121.251 120.400 -0.257 0.000 2.284 111 K HA 0.497 4.817 4.320 -0.000 0.000 0.287 111 K C -1.076 175.136 176.600 -0.647 0.000 1.081 111 K CA -0.083 56.021 56.287 -0.305 0.000 0.910 111 K CB 0.527 32.884 32.500 -0.238 0.000 1.088 111 K HN 0.342 nan 8.250 nan 0.000 0.478 112 Y N 1.068 121.314 120.300 -0.089 0.000 2.605 112 Y HA 0.513 5.063 4.550 -0.000 0.000 0.343 112 Y C -0.157 175.683 175.900 -0.101 0.000 1.036 112 Y CA -1.079 56.959 58.100 -0.104 0.000 1.065 112 Y CB 1.928 40.321 38.460 -0.113 0.000 1.288 112 Y HN 0.406 nan 8.280 nan 0.000 0.481 113 R N 0.342 120.867 120.500 0.042 0.000 2.673 113 R HA 0.732 5.072 4.340 -0.000 0.000 0.281 113 R C -1.770 174.510 176.300 -0.033 0.000 0.991 113 R CA -0.953 55.138 56.100 -0.016 0.000 0.896 113 R CB 1.741 32.010 30.300 -0.052 0.000 1.201 113 R HN 0.522 nan 8.270 nan 0.000 0.457 114 V N 1.782 121.665 119.914 -0.052 0.000 2.872 114 V HA 0.504 4.624 4.120 -0.000 0.000 0.307 114 V C -0.094 175.942 176.094 -0.096 0.000 1.072 114 V CA 0.830 63.079 62.300 -0.085 0.000 1.148 114 V CB 0.895 32.672 31.823 -0.077 0.000 0.954 114 V HN 1.035 nan 8.190 nan 0.000 0.490 115 A N 4.364 127.104 122.820 -0.134 0.000 2.564 115 A HA 0.753 5.073 4.320 -0.000 0.000 0.288 115 A C -0.351 177.143 177.584 -0.150 0.000 1.164 115 A CA -0.409 51.550 52.037 -0.131 0.000 0.712 115 A CB 1.843 20.751 19.000 -0.154 0.000 1.303 115 A HN 0.762 nan 8.150 nan 0.000 0.418 116 T N -0.578 113.920 114.554 -0.093 0.000 2.928 116 T HA 0.348 4.697 4.350 -0.000 0.000 0.284 116 T C 0.668 175.353 174.700 -0.025 0.000 1.008 116 T CA -0.028 62.050 62.100 -0.037 0.000 1.057 116 T CB 0.289 69.179 68.868 0.036 0.000 1.018 116 T HN 0.512 nan 8.240 nan 0.000 0.493 117 W N 1.375 122.715 121.300 0.066 0.000 2.342 117 W HA -0.114 4.546 4.660 -0.000 0.000 0.297 117 W C 2.080 178.675 176.519 0.127 0.000 1.213 117 W CA 0.906 58.326 57.345 0.125 0.000 1.251 117 W CB 0.009 29.592 29.460 0.204 0.000 1.136 117 W HN 0.793 nan 8.180 nan 0.000 0.526 118 E N -0.043 120.352 120.200 0.325 0.000 2.031 118 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 118 E C 1.778 178.462 176.600 0.139 0.000 0.994 118 E CA 1.880 58.405 56.400 0.208 0.000 0.800 118 E CB -0.797 28.998 29.700 0.158 0.000 0.752 118 E HN 0.425 nan 8.360 nan 0.000 0.447 119 E N 0.782 121.041 120.200 0.097 0.000 2.077 119 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 119 E C 1.922 178.561 176.600 0.065 0.000 0.989 119 E CA 1.433 57.871 56.400 0.063 0.000 0.800 119 E CB -0.236 29.477 29.700 0.022 0.000 0.746 119 E HN 0.209 nan 8.360 nan 0.000 0.452 120 A N 0.877 123.714 122.820 0.028 0.000 1.898 120 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 120 A C 2.284 179.932 177.584 0.107 0.000 1.181 120 A CA 1.204 53.245 52.037 0.007 0.000 0.620 120 A CB -0.643 18.280 19.000 -0.130 0.000 0.819 120 A HN 0.361 nan 8.150 nan 0.000 0.442 121 L N -0.595 120.724 121.223 0.160 0.000 2.141 121 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 121 L C 1.925 178.867 176.870 0.120 0.000 1.094 121 L CA 1.160 56.101 54.840 0.168 0.000 0.763 121 L CB -0.503 41.667 42.059 0.186 0.000 0.908 121 L HN 0.305 nan 8.230 nan 0.000 0.437 122 D N -1.255 119.213 120.400 0.114 0.000 2.103 122 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 122 D C 2.057 178.414 176.300 0.094 0.000 0.978 122 D CA 1.017 55.071 54.000 0.090 0.000 0.829 122 D CB -0.250 40.600 40.800 0.084 0.000 0.981 122 D HN 0.289 nan 8.370 nan 0.000 0.464 123 H N 0.567 119.654 119.070 0.029 0.000 2.352 123 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 123 H C 2.212 177.551 175.328 0.019 0.000 1.097 123 H CA 1.110 57.167 56.048 0.016 0.000 1.311 123 H CB -0.115 29.644 29.762 -0.004 0.000 1.377 123 H HN 0.141 nan 8.280 nan 0.000 0.504 124 I N 0.573 121.207 120.570 0.106 0.000 2.163 124 I HA -0.214 3.956 4.170 -0.000 0.000 0.240 124 I C 3.055 179.202 176.117 0.050 0.000 1.081 124 I CA 1.060 62.399 61.300 0.066 0.000 1.353 124 I CB -0.434 37.638 38.000 0.120 0.000 1.054 124 I HN 0.227 nan 8.210 nan 0.000 0.407 125 A N 0.494 123.356 122.820 0.071 0.000 1.883 125 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 125 A C 2.399 180.018 177.584 0.059 0.000 1.186 125 A CA 1.754 53.835 52.037 0.073 0.000 0.624 125 A CB -0.580 18.463 19.000 0.073 0.000 0.822 125 A HN 0.258 nan 8.150 nan 0.000 0.444 126 K N -0.301 120.110 120.400 0.017 0.000 2.020 126 K HA -0.198 4.122 4.320 -0.000 0.000 0.212 126 K C 1.998 178.591 176.600 -0.011 0.000 1.050 126 K CA 1.709 57.993 56.287 -0.004 0.000 0.929 126 K CB -0.235 32.237 32.500 -0.046 0.000 0.714 126 K HN 0.287 nan 8.250 nan 0.000 0.443 127 K N 0.317 120.674 120.400 -0.071 0.000 2.057 127 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 127 K C 2.232 178.856 176.600 0.040 0.000 1.049 127 K CA 1.263 57.518 56.287 -0.054 0.000 0.931 127 K CB -0.196 32.225 32.500 -0.130 0.000 0.714 127 K HN 0.283 nan 8.250 nan 0.000 0.440 128 M N 0.458 120.094 119.600 0.059 0.000 2.159 128 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 128 M C 2.196 178.668 176.300 0.287 0.000 1.063 128 M CA 1.350 56.714 55.300 0.107 0.000 1.110 128 M CB -0.310 32.276 32.600 -0.024 0.000 1.374 128 M HN 0.041 nan 8.290 nan 0.000 0.411 129 L N -0.327 121.045 121.223 0.248 0.000 2.093 129 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 129 L C 2.231 179.212 176.870 0.185 0.000 1.085 129 L CA 1.185 56.180 54.840 0.258 0.000 0.755 129 L CB -0.565 41.597 42.059 0.172 0.000 0.904 129 L HN 0.326 nan 8.230 nan 0.000 0.435 130 E N 0.387 120.672 120.200 0.141 0.000 2.077 130 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 130 E C 2.260 178.964 176.600 0.174 0.000 0.989 130 E CA 1.166 57.635 56.400 0.116 0.000 0.800 130 E CB -0.093 29.657 29.700 0.082 0.000 0.746 130 E HN 0.460 nan 8.360 nan 0.000 0.452 131 I N 0.722 121.434 120.570 0.237 0.000 2.394 131 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 131 I C 2.606 178.950 176.117 0.378 0.000 1.136 131 I CA 0.863 62.376 61.300 0.355 0.000 1.425 131 I CB -0.105 38.052 38.000 0.262 0.000 1.079 131 I HN -0.010 nan 8.210 nan 0.000 0.425 132 R N 0.557 121.247 120.500 0.317 0.000 2.236 132 R HA -0.100 4.240 4.340 -0.000 0.000 0.208 132 R C 1.657 178.007 176.300 0.084 0.000 1.036 132 R CA 0.875 57.108 56.100 0.221 0.000 1.001 132 R CB 0.201 30.622 30.300 0.203 0.000 0.896 132 R HN 0.288 nan 8.270 nan 0.000 0.464 133 E N 0.568 120.810 120.200 0.071 0.000 2.190 133 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 133 E C 1.404 177.973 176.600 -0.052 0.000 0.978 133 E CA 0.899 57.298 56.400 -0.002 0.000 0.839 133 E CB 0.135 29.834 29.700 -0.001 0.000 0.787 133 E HN 0.452 nan 8.360 nan 0.000 0.473 134 K N -0.796 119.552 120.400 -0.087 0.000 2.354 134 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 134 K C 0.770 177.136 176.600 -0.390 0.000 1.038 134 K CA 0.335 56.461 56.287 -0.269 0.000 1.052 134 K CB 0.227 32.498 32.500 -0.381 0.000 0.861 134 K HN 0.115 nan 8.250 nan 0.000 0.535 135 Y N 0.827 121.153 120.300 0.043 0.000 2.452 135 Y HA 0.291 4.841 4.550 -0.000 0.000 0.262 135 Y C 0.914 176.836 175.900 0.037 0.000 1.089 135 Y CA 0.075 58.210 58.100 0.059 0.000 1.262 135 Y CB 1.479 40.002 38.460 0.104 0.000 1.236 135 Y HN 0.269 nan 8.280 nan 0.000 0.512 136 G N 1.019 109.913 108.800 0.157 0.000 2.555 136 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.686 136 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.686 136 G C -2.445 172.523 174.900 0.114 0.000 1.275 136 G CA -0.509 44.621 45.100 0.050 0.000 0.871 136 G HN -0.083 nan 8.290 nan 0.000 0.603 137 P HA 0.086 nan 4.420 nan 0.000 0.231 137 P C 0.970 178.543 177.300 0.455 0.000 1.168 137 P CA 1.202 64.387 63.100 0.141 0.000 0.779 137 P CB 0.098 31.396 31.700 -0.670 0.000 0.844 138 E N 0.319 120.666 120.200 0.246 0.000 2.478 138 E HA 0.061 4.411 4.350 -0.000 0.000 0.198 138 E C 1.774 178.594 176.600 0.367 0.000 1.046 138 E CA 0.630 57.195 56.400 0.274 0.000 0.870 138 E CB -0.666 29.080 29.700 0.078 0.000 0.818 138 E HN 0.218 nan 8.360 nan 0.000 0.527 139 A N 0.858 123.875 122.820 0.327 0.000 2.276 139 A HA 0.154 4.474 4.320 -0.000 0.000 0.212 139 A C 0.436 178.106 177.584 0.143 0.000 1.230 139 A CA 0.061 52.237 52.037 0.232 0.000 0.844 139 A CB -0.147 18.941 19.000 0.145 0.000 0.860 139 A HN 0.127 nan 8.150 nan 0.000 0.486 140 I N 0.808 121.504 120.570 0.210 0.000 2.410 140 I HA 0.441 4.611 4.170 -0.000 0.000 0.286 140 I C 0.174 176.225 176.117 -0.110 0.000 1.009 140 I CA -0.495 60.796 61.300 -0.016 0.000 1.111 140 I CB 1.665 39.614 38.000 -0.085 0.000 1.262 140 I HN 0.159 nan 8.210 nan 0.000 0.443 141 A N 6.689 129.354 122.820 -0.258 0.000 2.310 141 A HA 0.764 5.084 4.320 -0.000 0.000 0.299 141 A C -1.043 176.271 177.584 -0.451 0.000 1.147 141 A CA -0.131 51.779 52.037 -0.211 0.000 0.818 141 A CB 0.265 19.062 19.000 -0.338 0.000 1.096 141 A HN 0.561 nan 8.150 nan 0.000 0.495 142 F N 2.006 121.994 119.950 0.065 0.000 2.430 142 F HA 0.432 4.959 4.527 -0.000 0.000 0.362 142 F C -0.424 175.596 175.800 0.366 0.000 1.103 142 F CA -0.164 57.933 58.000 0.162 0.000 1.045 142 F CB 1.138 40.194 39.000 0.094 0.000 1.276 142 F HN 0.467 nan 8.300 nan 0.000 0.444 143 F N 1.472 121.589 119.950 0.278 0.000 2.450 143 F HA 0.825 5.352 4.527 -0.000 0.000 0.332 143 F C 0.676 176.624 175.800 0.245 0.000 1.093 143 F CA -0.979 57.131 58.000 0.184 0.000 1.003 143 F CB 2.207 41.257 39.000 0.083 0.000 1.151 143 F HN 0.552 nan 8.300 nan 0.000 0.474 144 G N 1.258 110.280 108.800 0.369 0.000 2.576 144 G HA2 0.455 4.415 3.960 -0.000 0.000 0.290 144 G HA3 0.455 4.415 3.960 -0.000 0.000 0.290 144 G C -2.567 172.514 174.900 0.302 0.000 1.442 144 G CA -0.534 44.808 45.100 0.404 0.000 0.792 144 G HN 0.777 nan 8.290 nan 0.000 0.491 145 H N -1.575 117.640 119.070 0.241 0.000 3.017 145 H HA 0.559 5.115 4.556 -0.000 0.000 0.346 145 H C 0.226 175.639 175.328 0.142 0.000 1.286 145 H CA 0.078 56.157 56.048 0.052 0.000 1.120 145 H CB 2.354 32.094 29.762 -0.035 0.000 1.860 145 H HN 2.026 nan 8.280 nan 0.000 0.542 146 G N 0.193 108.928 108.800 -0.109 0.000 2.756 146 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.678 146 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.678 146 G C 0.766 175.809 174.900 0.238 0.000 1.349 146 G CA -0.048 45.133 45.100 0.136 0.000 0.847 146 G HN 0.611 nan 8.290 nan 0.000 0.548 147 T N 0.595 115.315 114.554 0.277 0.000 2.624 147 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 147 T C 2.538 177.432 174.700 0.322 0.000 1.041 147 T CA 2.841 65.096 62.100 0.258 0.000 1.159 147 T CB -0.706 68.311 68.868 0.249 0.000 0.863 147 T HN 1.798 nan 8.240 nan 0.000 0.434 148 G N 2.123 111.208 108.800 0.475 0.000 2.916 148 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.205 148 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.205 148 G C 1.005 176.051 174.900 0.243 0.000 1.163 148 G CA 0.762 46.143 45.100 0.468 0.000 0.821 148 G HN 0.683 nan 8.290 nan 0.000 0.515 149 D N -0.533 120.066 120.400 0.333 0.000 2.347 149 D HA -0.148 4.492 4.640 -0.000 0.000 0.215 149 D C 1.681 178.072 176.300 0.152 0.000 0.976 149 D CA -0.050 54.125 54.000 0.292 0.000 0.884 149 D CB -0.438 40.564 40.800 0.337 0.000 0.915 149 D HN 0.354 nan 8.370 nan 0.000 0.526 150 Y N 0.523 120.795 120.300 -0.047 0.000 2.145 150 Y HA -0.148 4.402 4.550 -0.000 0.000 0.286 150 Y C 1.607 177.329 175.900 -0.298 0.000 1.145 150 Y CA 1.540 59.493 58.100 -0.244 0.000 1.148 150 Y CB -0.654 37.504 38.460 -0.503 0.000 0.981 150 Y HN -0.048 nan 8.280 nan 0.000 0.507 151 W N -1.031 120.139 121.300 -0.217 0.000 2.407 151 W HA -0.097 4.563 4.660 -0.000 0.000 0.305 151 W C 2.156 178.329 176.519 -0.576 0.000 1.196 151 W CA 1.179 58.250 57.345 -0.457 0.000 1.311 151 W CB -0.929 28.257 29.460 -0.456 0.000 1.135 151 W HN -0.006 nan 8.180 nan 0.000 0.514 152 F N -0.978 118.970 119.950 -0.004 0.000 2.187 152 F HA -0.080 4.447 4.527 -0.000 0.000 0.295 152 F C 2.127 177.922 175.800 -0.008 0.000 1.091 152 F CA 0.986 58.972 58.000 -0.023 0.000 1.308 152 F CB -1.081 37.897 39.000 -0.036 0.000 1.030 152 F HN -0.353 nan 8.300 nan 0.000 0.487 153 V N -0.792 119.219 119.914 0.162 0.000 2.685 153 V HA -0.092 4.028 4.120 -0.000 0.000 0.244 153 V C 1.459 177.561 176.094 0.014 0.000 1.054 153 V CA 1.431 63.813 62.300 0.136 0.000 1.076 153 V CB -0.204 31.742 31.823 0.206 0.000 0.725 153 V HN 0.192 nan 8.190 nan 0.000 0.467 154 D N -1.162 119.207 120.400 -0.051 0.000 2.259 154 D HA 0.023 4.663 4.640 -0.000 0.000 0.216 154 D C 1.695 177.893 176.300 -0.169 0.000 0.961 154 D CA 0.832 54.788 54.000 -0.073 0.000 0.878 154 D CB 0.210 41.017 40.800 0.011 0.000 1.009 154 D HN 0.380 nan 8.370 nan 0.000 0.490 155 F N 0.851 120.482 119.950 -0.531 0.000 2.204 155 F HA 0.020 4.547 4.527 -0.000 0.000 0.276 155 F C 2.055 177.632 175.800 -0.372 0.000 1.085 155 F CA 0.129 57.812 58.000 -0.528 0.000 1.160 155 F CB -0.484 38.003 39.000 -0.856 0.000 1.091 155 F HN -0.242 nan 8.300 nan 0.000 0.522 156 L N 1.448 122.575 121.223 -0.160 0.000 2.010 156 L HA -0.208 4.132 4.340 -0.000 0.000 0.219 156 L C -0.775 175.764 176.870 -0.550 0.000 1.077 156 L CA 2.533 57.191 54.840 -0.304 0.000 0.773 156 L CB -2.167 39.654 42.059 -0.396 0.000 0.892 156 L HN 0.082 nan 8.230 nan 0.000 0.436 157 P HA -0.151 nan 4.420 nan 0.000 0.215 157 P C 1.523 178.642 177.300 -0.302 0.000 1.153 157 P CA 2.138 64.795 63.100 -0.739 0.000 0.853 157 P CB -0.157 31.220 31.700 -0.539 0.000 0.788 158 A N -0.160 122.474 122.820 -0.310 0.000 1.929 158 A HA 0.019 4.338 4.320 -0.000 0.000 0.216 158 A C 2.307 179.663 177.584 -0.380 0.000 1.176 158 A CA 1.743 53.617 52.037 -0.272 0.000 0.628 158 A CB -1.520 17.323 19.000 -0.262 0.000 0.816 158 A HN 0.181 nan 8.150 nan 0.000 0.444 159 A N -1.452 121.012 122.820 -0.594 0.000 2.015 159 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 159 A C 1.986 179.390 177.584 -0.301 0.000 1.163 159 A CA 1.293 52.872 52.037 -0.764 0.000 0.646 159 A CB -0.655 17.716 19.000 -1.047 0.000 0.806 159 A HN 0.918 nan 8.150 nan 0.000 0.448 160 W N -0.124 120.965 121.300 -0.351 0.000 2.737 160 W HA 0.248 4.908 4.660 -0.000 0.000 0.262 160 W C 0.873 177.324 176.519 -0.113 0.000 1.282 160 W CA 1.225 58.458 57.345 -0.188 0.000 1.386 160 W CB -0.000 29.349 29.460 -0.184 0.000 1.099 160 W HN 0.680 nan 8.180 nan 0.000 0.621 161 G N 1.743 110.482 108.800 -0.101 0.000 2.131 161 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 161 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 161 G C -0.302 174.616 174.900 0.030 0.000 1.000 161 G CA 0.256 45.280 45.100 -0.127 0.000 0.680 161 G HN 0.351 nan 8.290 nan 0.000 0.514 162 S N 0.693 116.531 115.700 0.230 0.000 2.456 162 S HA 0.714 5.184 4.470 -0.000 0.000 0.316 162 S C -0.732 173.992 174.600 0.207 0.000 1.089 162 S CA -0.921 57.469 58.200 0.316 0.000 1.101 162 S CB 1.837 65.412 63.200 0.625 0.000 0.995 162 S HN 0.096 nan 8.310 nan 0.000 0.468 163 P HA 0.103 nan 4.420 nan 0.000 0.245 163 P C -0.276 177.158 177.300 0.224 0.000 1.206 163 P CA 0.135 63.326 63.100 0.151 0.000 0.781 163 P CB -0.011 31.734 31.700 0.075 0.000 0.994 164 N N 1.148 120.018 118.700 0.283 0.000 3.259 164 N HA 0.268 5.008 4.740 -0.000 0.000 0.308 164 N C -0.076 175.660 175.510 0.377 0.000 1.334 164 N CA 0.135 53.374 53.050 0.315 0.000 1.202 164 N CB 0.172 38.839 38.487 0.300 0.000 1.485 164 N HN 0.128 nan 8.380 nan 0.000 0.549 165 A N 0.363 123.380 122.820 0.327 0.000 2.331 165 A HA 0.865 5.185 4.320 -0.000 0.000 0.320 165 A C -0.428 177.310 177.584 0.256 0.000 1.138 165 A CA -0.576 51.663 52.037 0.337 0.000 0.790 165 A CB 1.320 20.453 19.000 0.222 0.000 1.206 165 A HN 0.336 nan 8.150 nan 0.000 0.470 166 A N 2.490 125.471 122.820 0.268 0.000 2.606 166 A HA 0.835 5.155 4.320 -0.000 0.000 0.293 166 A C -1.096 176.463 177.584 -0.042 0.000 1.082 166 A CA -0.825 51.248 52.037 0.061 0.000 0.685 166 A CB 1.407 20.360 19.000 -0.079 0.000 1.284 166 A HN 0.843 nan 8.150 nan 0.000 0.408 167 K N 1.197 121.500 120.400 -0.162 0.000 2.422 167 K HA 0.521 4.841 4.320 -0.000 0.000 0.251 167 K C -2.565 173.799 176.600 -0.392 0.000 0.933 167 K CA -1.849 54.256 56.287 -0.304 0.000 0.798 167 K CB 2.603 34.917 32.500 -0.310 0.000 1.238 167 K HN 0.288 nan 8.250 nan 0.000 0.428 168 P HA -0.173 nan 4.420 nan 0.000 0.225 168 P C 0.766 177.898 177.300 -0.280 0.000 1.148 168 P CA 1.094 63.961 63.100 -0.389 0.000 0.779 168 P CB 0.083 31.568 31.700 -0.358 0.000 0.780 169 S N -1.965 113.555 115.700 -0.300 0.000 2.660 169 S HA 0.073 4.543 4.470 -0.000 0.000 0.223 169 S C 1.545 176.112 174.600 -0.054 0.000 0.963 169 S CA 0.015 58.192 58.200 -0.039 0.000 0.932 169 S CB -0.738 62.561 63.200 0.165 0.000 0.775 169 S HN -0.014 nan 8.310 nan 0.000 0.531 170 V N 1.306 121.141 119.914 -0.131 0.000 2.948 170 V HA 0.113 4.233 4.120 -0.000 0.000 0.234 170 V C 2.297 178.283 176.094 -0.179 0.000 1.205 170 V CA 1.227 63.451 62.300 -0.127 0.000 1.234 170 V CB 0.404 32.159 31.823 -0.114 0.000 1.020 170 V HN 0.680 nan 8.190 nan 0.000 0.491 171 S N -1.326 114.241 115.700 -0.222 0.000 2.524 171 S HA 0.286 4.756 4.470 -0.000 0.000 0.215 171 S C 1.077 175.514 174.600 -0.272 0.000 0.986 171 S CA 0.100 58.135 58.200 -0.275 0.000 0.911 171 S CB 0.285 63.299 63.200 -0.310 0.000 0.805 171 S HN 0.377 nan 8.310 nan 0.000 0.501 172 L N 0.263 121.348 121.223 -0.230 0.000 3.014 172 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 172 L C 0.879 177.687 176.870 -0.102 0.000 1.207 172 L CA -0.146 54.579 54.840 -0.192 0.000 1.017 172 L CB 0.943 42.880 42.059 -0.203 0.000 1.360 172 L HN 0.579 nan 8.230 nan 0.000 0.560 173 C N -2.584 116.638 119.300 -0.131 0.000 3.251 173 C HA 0.080 4.540 4.460 -0.000 0.000 0.224 173 C C 2.125 177.041 174.990 -0.123 0.000 2.525 173 C CA 0.451 59.431 59.018 -0.062 0.000 1.189 173 C CB 0.933 28.739 27.740 0.111 0.000 1.338 173 C HN 0.268 nan 8.230 nan 0.000 0.697 174 T N 0.723 115.235 114.554 -0.069 0.000 3.044 174 T HA 0.266 4.616 4.350 -0.000 0.000 0.250 174 T C 1.599 176.225 174.700 -0.124 0.000 1.081 174 T CA 1.184 63.242 62.100 -0.070 0.000 1.040 174 T CB -0.188 68.688 68.868 0.013 0.000 0.962 174 T HN 0.613 nan 8.240 nan 0.000 0.506 175 A N 2.762 125.487 122.820 -0.159 0.000 1.884 175 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 175 A C -0.016 177.430 177.584 -0.231 0.000 1.197 175 A CA 1.687 53.611 52.037 -0.189 0.000 0.637 175 A CB -1.686 17.174 19.000 -0.234 0.000 0.827 175 A HN 0.365 nan 8.150 nan 0.000 0.450 176 P HA -0.223 nan 4.420 nan 0.000 0.216 176 P C 1.538 178.667 177.300 -0.286 0.000 1.153 176 P CA 2.050 64.969 63.100 -0.302 0.000 0.858 176 P CB -0.209 31.298 31.700 -0.322 0.000 0.789 177 R N -0.889 119.476 120.500 -0.226 0.000 2.161 177 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 177 R C 1.800 178.018 176.300 -0.136 0.000 1.055 177 R CA 0.964 56.961 56.100 -0.171 0.000 0.996 177 R CB -0.942 29.288 30.300 -0.117 0.000 0.901 177 R HN 0.024 nan 8.270 nan 0.000 0.456 178 E N 1.156 121.277 120.200 -0.130 0.000 2.107 178 E HA -0.068 4.281 4.350 -0.000 0.000 0.191 178 E C 2.156 178.670 176.600 -0.144 0.000 0.982 178 E CA 1.120 57.465 56.400 -0.092 0.000 0.809 178 E CB -0.175 29.486 29.700 -0.064 0.000 0.756 178 E HN 0.221 nan 8.360 nan 0.000 0.459 179 V N 1.704 121.465 119.914 -0.255 0.000 2.270 179 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 179 V C 2.468 178.181 176.094 -0.634 0.000 1.043 179 V CA 1.789 63.822 62.300 -0.446 0.000 1.014 179 V CB -1.010 30.489 31.823 -0.541 0.000 0.645 179 V HN 0.238 nan 8.190 nan 0.000 0.447 180 A N -0.518 121.982 122.820 -0.533 0.000 1.903 180 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 180 A C 2.567 180.039 177.584 -0.187 0.000 1.191 180 A CA 2.669 54.459 52.037 -0.411 0.000 0.638 180 A CB -0.994 17.827 19.000 -0.298 0.000 0.823 180 A HN 0.482 nan 8.150 nan 0.000 0.451 181 S N -1.516 114.130 115.700 -0.091 0.000 2.368 181 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 181 S C 2.213 176.875 174.600 0.104 0.000 1.030 181 S CA 1.473 59.719 58.200 0.077 0.000 0.999 181 S CB -0.361 62.897 63.200 0.098 0.000 0.844 181 S HN 0.569 nan 8.310 nan 0.000 0.459 182 Q N -0.284 119.543 119.800 0.045 0.000 2.084 182 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 182 Q C 1.836 177.968 176.000 0.220 0.000 0.978 182 Q CA 1.217 57.094 55.803 0.123 0.000 0.844 182 Q CB -0.412 28.389 28.738 0.104 0.000 0.898 182 Q HN 0.692 nan 8.270 nan 0.000 0.426 183 W N -0.197 121.033 121.300 -0.116 0.000 2.409 183 W HA -0.049 4.611 4.660 -0.000 0.000 0.299 183 W C 2.259 178.753 176.519 -0.042 0.000 1.203 183 W CA 0.230 57.493 57.345 -0.138 0.000 1.298 183 W CB -1.056 28.273 29.460 -0.219 0.000 1.127 183 W HN -0.102 nan 8.180 nan 0.000 0.528 184 V N -1.333 118.644 119.914 0.105 0.000 2.407 184 V HA -0.061 4.059 4.120 -0.000 0.000 0.245 184 V C 0.701 176.565 176.094 -0.383 0.000 1.041 184 V CA 1.187 63.379 62.300 -0.179 0.000 1.040 184 V CB -0.709 30.864 31.823 -0.417 0.000 0.671 184 V HN -0.216 nan 8.190 nan 0.000 0.455 185 F N -1.059 118.894 119.950 0.004 0.000 2.613 185 F HA 0.648 5.175 4.527 -0.000 0.000 0.342 185 F C 1.248 177.079 175.800 0.052 0.000 1.066 185 F CA -0.226 57.721 58.000 -0.090 0.000 1.002 185 F CB 1.241 40.021 39.000 -0.367 0.000 1.319 185 F HN -0.118 nan 8.300 nan 0.000 0.495 186 G N 0.232 109.194 108.800 0.271 0.000 3.371 186 G HA2 0.261 4.221 3.960 -0.000 0.000 0.248 186 G HA3 0.261 4.221 3.960 -0.000 0.000 0.248 186 G C -0.044 174.946 174.900 0.151 0.000 1.161 186 G CA -0.291 44.948 45.100 0.231 0.000 0.796 186 G HN 0.412 nan 8.290 nan 0.000 0.539 187 R N -0.134 120.449 120.500 0.138 0.000 2.919 187 R HA 0.551 4.891 4.340 -0.000 0.000 0.260 187 R C -2.862 173.490 176.300 0.086 0.000 1.067 187 R CA -2.087 54.065 56.100 0.087 0.000 1.003 187 R CB 1.102 31.423 30.300 0.034 0.000 1.192 187 R HN -0.112 nan 8.270 nan 0.000 0.488 188 P HA 0.206 nan 4.420 nan 0.000 0.279 188 P C 0.145 177.473 177.300 0.046 0.000 1.282 188 P CA -0.354 62.776 63.100 0.050 0.000 0.788 188 P CB 0.956 32.682 31.700 0.043 0.000 1.139 189 I N -1.388 119.213 120.570 0.051 0.000 2.810 189 I HA 0.217 4.387 4.170 -0.000 0.000 0.262 189 I C 1.217 177.377 176.117 0.070 0.000 1.131 189 I CA 1.441 62.781 61.300 0.066 0.000 1.453 189 I CB -0.336 37.720 38.000 0.093 0.000 1.161 189 I HN 0.675 nan 8.210 nan 0.000 0.444 190 G N -0.319 108.522 108.800 0.068 0.000 2.710 190 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.668 190 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.668 190 G C 0.549 175.502 174.900 0.087 0.000 1.320 190 G CA -0.422 44.718 45.100 0.066 0.000 0.860 190 G HN 0.344 nan 8.290 nan 0.000 0.538 191 G N -1.420 107.413 108.800 0.056 0.000 2.421 191 G HA2 0.106 4.066 3.960 -0.000 0.000 0.217 191 G HA3 0.106 4.066 3.960 -0.000 0.000 0.217 191 G C 0.821 175.686 174.900 -0.058 0.000 1.143 191 G CA 1.328 46.452 45.100 0.041 0.000 0.784 191 G HN 0.959 nan 8.290 nan 0.000 0.541 192 H N 1.864 120.837 119.070 -0.162 0.000 2.486 192 H HA 0.187 4.743 4.556 -0.000 0.000 0.239 192 H C -0.135 175.254 175.328 0.102 0.000 1.480 192 H CA -0.517 55.394 56.048 -0.229 0.000 1.324 192 H CB -0.194 29.433 29.762 -0.224 0.000 1.486 192 H HN 0.330 nan 8.280 nan 0.000 0.544 193 E N 3.518 123.888 120.200 0.282 0.000 2.868 193 E HA -0.064 4.286 4.350 -0.000 0.000 0.246 193 E C -2.085 174.618 176.600 0.172 0.000 0.962 193 E CA -1.186 55.358 56.400 0.242 0.000 0.955 193 E CB 0.372 30.233 29.700 0.268 0.000 0.903 193 E HN 0.404 nan 8.360 nan 0.000 0.524 194 P HA 0.026 nan 4.420 nan 0.000 0.271 194 P C -0.496 176.260 177.300 -0.907 0.000 1.601 194 P CA 0.055 62.765 63.100 -0.650 0.000 0.856 194 P CB -0.445 30.907 31.700 -0.580 0.000 1.820 195 I N 0.829 121.052 120.570 -0.579 0.000 2.365 195 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 195 I C 0.923 176.786 176.117 -0.422 0.000 1.004 195 I CA -0.271 60.573 61.300 -0.760 0.000 1.311 195 I CB 0.713 38.009 38.000 -1.173 0.000 1.401 195 I HN -0.187 nan 8.210 nan 0.000 0.491 196 D N 5.343 125.573 120.400 -0.285 0.000 2.619 196 D HA 0.099 4.739 4.640 -0.000 0.000 0.224 196 D C 0.621 176.969 176.300 0.079 0.000 1.133 196 D CA -0.104 53.969 54.000 0.121 0.000 1.017 196 D CB 0.108 41.060 40.800 0.254 0.000 1.077 196 D HN 0.404 nan 8.370 nan 0.000 0.503 197 W N 1.314 122.674 121.300 0.101 0.000 2.342 197 W HA -0.135 4.525 4.660 -0.000 0.000 0.297 197 W C 2.204 178.766 176.519 0.071 0.000 1.213 197 W CA 1.121 58.512 57.345 0.076 0.000 1.251 197 W CB -0.276 29.246 29.460 0.104 0.000 1.136 197 W HN 0.467 nan 8.180 nan 0.000 0.526 198 E N -0.252 120.147 120.200 0.332 0.000 2.265 198 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 198 E C 1.369 178.056 176.600 0.146 0.000 0.996 198 E CA 1.339 57.865 56.400 0.210 0.000 0.832 198 E CB -0.539 29.276 29.700 0.191 0.000 0.756 198 E HN 0.272 nan 8.360 nan 0.000 0.491 199 N N 0.664 119.448 118.700 0.139 0.000 2.254 199 N HA 0.165 4.905 4.740 -0.000 0.000 0.190 199 N C -0.072 175.474 175.510 0.060 0.000 1.107 199 N CA 0.536 53.636 53.050 0.084 0.000 0.869 199 N CB 0.726 39.251 38.487 0.064 0.000 0.983 199 N HN 0.204 nan 8.380 nan 0.000 0.487 200 A N 0.990 123.850 122.820 0.067 0.000 2.498 200 A HA 0.184 4.504 4.320 -0.000 0.000 0.239 200 A C 1.179 178.780 177.584 0.028 0.000 1.068 200 A CA 0.214 52.269 52.037 0.031 0.000 0.766 200 A CB 0.614 19.623 19.000 0.014 0.000 1.003 200 A HN 0.064 nan 8.150 nan 0.000 0.497 201 R N -0.345 120.154 120.500 -0.000 0.000 2.394 201 R HA 0.152 4.492 4.340 -0.000 0.000 0.220 201 R C -1.201 174.997 176.300 -0.170 0.000 0.887 201 R CA 0.540 56.602 56.100 -0.062 0.000 1.034 201 R CB 0.421 30.710 30.300 -0.017 0.000 1.179 201 R HN 0.767 nan 8.270 nan 0.000 0.561 202 Y N 0.176 120.316 120.300 -0.267 0.000 2.358 202 Y HA 0.451 5.001 4.550 -0.000 0.000 0.324 202 Y C -1.451 174.389 175.900 -0.100 0.000 1.123 202 Y CA -0.807 57.141 58.100 -0.254 0.000 1.067 202 Y CB 1.300 39.536 38.460 -0.373 0.000 1.230 202 Y HN -0.178 nan 8.280 nan 0.000 0.429 203 I N 6.855 127.296 120.570 -0.216 0.000 2.466 203 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 203 I C -1.160 174.903 176.117 -0.089 0.000 1.026 203 I CA -1.177 60.081 61.300 -0.070 0.000 1.078 203 I CB 1.948 40.001 38.000 0.088 0.000 1.249 203 I HN 0.288 nan 8.210 nan 0.000 0.429 204 V N 7.253 127.173 119.914 0.010 0.000 2.334 204 V HA 0.393 4.513 4.120 -0.000 0.000 0.281 204 V C -0.030 176.159 176.094 0.159 0.000 1.016 204 V CA -0.505 61.846 62.300 0.085 0.000 0.832 204 V CB 1.475 33.381 31.823 0.138 0.000 0.999 204 V HN 0.470 nan 8.190 nan 0.000 0.439 205 L N 6.204 127.527 121.223 0.168 0.000 2.257 205 L HA 0.554 4.894 4.340 -0.000 0.000 0.290 205 L C -0.296 176.730 176.870 0.259 0.000 1.044 205 L CA -0.248 54.709 54.840 0.195 0.000 0.810 205 L CB 1.263 43.379 42.059 0.095 0.000 1.193 205 L HN 0.494 nan 8.230 nan 0.000 0.425 206 I N 3.780 124.538 120.570 0.314 0.000 2.347 206 I HA 0.229 4.399 4.170 -0.000 0.000 0.283 206 I C 1.153 177.521 176.117 0.418 0.000 1.058 206 I CA -0.016 61.486 61.300 0.337 0.000 1.202 206 I CB 0.971 39.160 38.000 0.316 0.000 1.386 206 I HN 0.967 nan 8.210 nan 0.000 0.475 207 G N 3.894 112.878 108.800 0.306 0.000 2.189 207 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.267 207 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.267 207 G C 0.523 175.535 174.900 0.186 0.000 0.975 207 G CA -0.055 45.158 45.100 0.190 0.000 0.644 207 G HN 0.694 nan 8.290 nan 0.000 0.537 208 H N 1.912 121.077 119.070 0.158 0.000 3.232 208 H HA 0.268 4.824 4.556 -0.000 0.000 0.254 208 H C 1.036 176.414 175.328 0.083 0.000 1.213 208 H CA 0.179 56.312 56.048 0.142 0.000 1.503 208 H CB -0.810 29.034 29.762 0.137 0.000 1.563 208 H HN 0.735 nan 8.280 nan 0.000 0.490 209 H N 4.089 123.197 119.070 0.064 0.000 2.872 209 H HA 0.363 4.919 4.556 -0.000 0.000 0.273 209 H C -0.206 175.026 175.328 -0.161 0.000 1.205 209 H CA -0.747 55.243 56.048 -0.096 0.000 1.342 209 H CB 0.017 29.695 29.762 -0.140 0.000 1.469 209 H HN 0.334 nan 8.280 nan 0.000 0.487 210 I N 4.178 124.581 120.570 -0.279 0.000 2.315 210 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 210 I C 0.991 176.877 176.117 -0.385 0.000 1.006 210 I CA 0.491 61.508 61.300 -0.471 0.000 1.265 210 I CB 1.448 38.880 38.000 -0.947 0.000 1.387 210 I HN 1.128 nan 8.210 nan 0.000 0.475 211 G N 4.300 112.913 108.800 -0.313 0.000 2.352 211 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.204 211 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.204 211 G C 0.715 175.478 174.900 -0.228 0.000 1.004 211 G CA -0.067 44.907 45.100 -0.211 0.000 0.648 211 G HN 0.568 nan 8.290 nan 0.000 0.491 212 E N 0.228 120.232 120.200 -0.327 0.000 2.132 212 E HA 0.148 4.498 4.350 -0.000 0.000 0.193 212 E C 0.487 176.799 176.600 -0.479 0.000 0.951 212 E CA 0.320 56.509 56.400 -0.352 0.000 0.843 212 E CB 0.222 29.706 29.700 -0.360 0.000 0.807 212 E HN 0.379 nan 8.360 nan 0.000 0.467 213 D N 0.373 120.355 120.400 -0.696 0.000 2.339 213 D HA -0.008 4.632 4.640 -0.000 0.000 0.256 213 D C -0.316 175.717 176.300 -0.444 0.000 1.214 213 D CA 0.487 54.148 54.000 -0.564 0.000 0.877 213 D CB 1.333 41.866 40.800 -0.445 0.000 1.111 213 D HN -0.166 nan 8.370 nan 0.000 0.478 214 T N 3.241 117.541 114.554 -0.423 0.000 3.266 214 T HA 0.079 4.429 4.350 -0.000 0.000 0.278 214 T C -0.056 174.442 174.700 -0.338 0.000 1.010 214 T CA -0.351 61.547 62.100 -0.338 0.000 0.909 214 T CB -0.687 68.025 68.868 -0.260 0.000 1.122 214 T HN 0.458 nan 8.240 nan 0.000 0.536 215 H N 2.287 121.056 119.070 -0.501 0.000 3.157 215 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 215 H C 1.609 176.467 175.328 -0.784 0.000 0.961 215 H CA -0.531 55.007 56.048 -0.850 0.000 1.428 215 H CB 0.608 29.584 29.762 -1.309 0.000 1.459 215 H HN 0.165 nan 8.280 nan 0.000 0.566 216 N N 2.540 120.938 118.700 -0.503 0.000 2.051 216 N HA -0.224 4.516 4.740 -0.000 0.000 0.199 216 N C 1.537 176.959 175.510 -0.148 0.000 1.045 216 N CA 2.630 55.544 53.050 -0.227 0.000 0.884 216 N CB -0.553 37.925 38.487 -0.016 0.000 1.082 216 N HN 0.640 nan 8.380 nan 0.000 0.495 217 T N 0.850 115.431 114.554 0.045 0.000 2.737 217 T HA -0.241 4.109 4.350 -0.000 0.000 0.269 217 T C 1.800 176.516 174.700 0.028 0.000 1.040 217 T CA 1.996 64.215 62.100 0.199 0.000 1.142 217 T CB -0.449 68.771 68.868 0.587 0.000 0.861 217 T HN 0.677 nan 8.240 nan 0.000 0.456 218 Q N 0.451 120.167 119.800 -0.140 0.000 2.297 218 Q HA 0.078 4.418 4.340 -0.000 0.000 0.204 218 Q C 2.195 177.960 176.000 -0.392 0.000 0.962 218 Q CA 0.600 56.230 55.803 -0.288 0.000 0.879 218 Q CB -0.416 28.196 28.738 -0.209 0.000 0.947 218 Q HN 0.339 nan 8.270 nan 0.000 0.462 219 L N 0.975 122.031 121.223 -0.278 0.000 2.023 219 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 219 L C 2.271 179.062 176.870 -0.132 0.000 1.073 219 L CA 1.908 56.630 54.840 -0.196 0.000 0.745 219 L CB -0.767 41.190 42.059 -0.170 0.000 0.900 219 L HN 0.270 nan 8.230 nan 0.000 0.435 220 Q N -0.449 119.285 119.800 -0.110 0.000 2.029 220 Q HA -0.264 4.076 4.340 -0.000 0.000 0.209 220 Q C 1.863 177.804 176.000 -0.098 0.000 0.999 220 Q CA 2.106 57.867 55.803 -0.069 0.000 0.857 220 Q CB -0.356 28.371 28.738 -0.017 0.000 0.926 220 Q HN 0.542 nan 8.270 nan 0.000 0.415 221 D N 0.025 120.330 120.400 -0.158 0.000 2.104 221 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 221 D C 1.594 177.721 176.300 -0.287 0.000 0.994 221 D CA 0.848 54.723 54.000 -0.209 0.000 0.830 221 D CB -0.392 40.199 40.800 -0.349 0.000 0.959 221 D HN 0.133 nan 8.370 nan 0.000 0.452 222 F N 1.817 121.355 119.950 -0.687 0.000 2.095 222 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 222 F C 2.229 177.882 175.800 -0.245 0.000 1.104 222 F CA 1.549 59.211 58.000 -0.565 0.000 1.232 222 F CB -0.451 38.171 39.000 -0.630 0.000 0.987 222 F HN -0.055 nan 8.300 nan 0.000 0.475 223 A N 0.405 123.098 122.820 -0.212 0.000 1.933 223 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 223 A C 2.327 179.803 177.584 -0.180 0.000 1.175 223 A CA 1.773 53.675 52.037 -0.225 0.000 0.628 223 A CB -1.148 17.786 19.000 -0.110 0.000 0.814 223 A HN 0.505 nan 8.150 nan 0.000 0.444 224 L N -1.020 120.133 121.223 -0.117 0.000 2.109 224 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 224 L C 3.086 179.925 176.870 -0.052 0.000 1.086 224 L CA 0.857 55.663 54.840 -0.058 0.000 0.760 224 L CB -0.506 41.549 42.059 -0.007 0.000 0.910 224 L HN 0.438 nan 8.230 nan 0.000 0.437 225 A N 0.320 123.104 122.820 -0.060 0.000 1.858 225 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 225 A C 2.249 179.769 177.584 -0.106 0.000 1.190 225 A CA 1.386 53.409 52.037 -0.025 0.000 0.617 225 A CB -0.776 18.267 19.000 0.071 0.000 0.827 225 A HN 0.316 nan 8.150 nan 0.000 0.443 226 L N -0.824 120.254 121.223 -0.242 0.000 2.013 226 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 226 L C 2.663 179.469 176.870 -0.107 0.000 1.073 226 L CA 2.124 56.834 54.840 -0.217 0.000 0.753 226 L CB -0.445 41.403 42.059 -0.350 0.000 0.890 226 L HN 0.431 nan 8.230 nan 0.000 0.432 227 K N 0.521 120.860 120.400 -0.103 0.000 2.074 227 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 227 K C 1.468 178.050 176.600 -0.030 0.000 1.048 227 K CA 1.635 57.887 56.287 -0.058 0.000 0.926 227 K CB -0.052 32.416 32.500 -0.053 0.000 0.713 227 K HN 0.273 nan 8.250 nan 0.000 0.444 228 N N -0.315 118.371 118.700 -0.024 0.000 2.434 228 N HA 0.089 4.829 4.740 -0.000 0.000 0.196 228 N C 0.102 175.608 175.510 -0.007 0.000 1.183 228 N CA 0.996 54.042 53.050 -0.006 0.000 0.849 228 N CB 0.797 39.289 38.487 0.008 0.000 0.992 228 N HN 0.410 nan 8.380 nan 0.000 0.460 229 G N -0.085 108.705 108.800 -0.017 0.000 2.255 229 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.239 229 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.239 229 G C -0.100 174.768 174.900 -0.052 0.000 1.083 229 G CA -0.034 45.053 45.100 -0.022 0.000 0.826 229 G HN 0.556 nan 8.290 nan 0.000 0.493 230 A N 0.563 123.349 122.820 -0.057 0.000 2.260 230 A HA 0.683 5.003 4.320 -0.000 0.000 0.312 230 A C 0.569 178.083 177.584 -0.117 0.000 1.321 230 A CA 0.200 52.191 52.037 -0.077 0.000 0.928 230 A CB 0.373 19.353 19.000 -0.033 0.000 1.158 230 A HN 1.094 nan 8.150 nan 0.000 0.542 231 K N 2.493 122.726 120.400 -0.279 0.000 2.227 231 K HA 0.538 4.858 4.320 -0.000 0.000 0.280 231 K C -1.290 175.158 176.600 -0.253 0.000 1.041 231 K CA -0.411 55.536 56.287 -0.566 0.000 0.905 231 K CB 1.225 33.117 32.500 -1.013 0.000 1.068 231 K HN 0.247 nan 8.250 nan 0.000 0.470 232 V N 4.339 124.336 119.914 0.140 0.000 2.370 232 V HA 0.241 4.360 4.120 -0.000 0.000 0.283 232 V C -0.355 175.769 176.094 0.050 0.000 1.023 232 V CA -0.989 61.350 62.300 0.065 0.000 0.857 232 V CB 1.366 33.299 31.823 0.184 0.000 0.985 232 V HN 0.611 nan 8.190 nan 0.000 0.443 233 V N 5.808 125.687 119.914 -0.059 0.000 2.394 233 V HA 0.446 4.566 4.120 -0.000 0.000 0.282 233 V C -0.049 176.131 176.094 0.142 0.000 1.031 233 V CA -0.488 61.841 62.300 0.048 0.000 0.881 233 V CB 1.803 33.635 31.823 0.015 0.000 0.982 233 V HN 0.626 nan 8.190 nan 0.000 0.451 234 V N 5.820 125.854 119.914 0.200 0.000 2.417 234 V HA 0.461 4.581 4.120 -0.000 0.000 0.291 234 V C -0.221 176.071 176.094 0.330 0.000 1.024 234 V CA -0.550 61.885 62.300 0.225 0.000 0.861 234 V CB 2.070 33.972 31.823 0.133 0.000 0.985 234 V HN 0.613 nan 8.190 nan 0.000 0.436 235 V N 4.427 124.511 119.914 0.284 0.000 2.357 235 V HA 0.667 4.787 4.120 -0.000 0.000 0.284 235 V C -0.560 175.675 176.094 0.234 0.000 1.018 235 V CA -0.210 62.239 62.300 0.249 0.000 0.841 235 V CB 1.427 33.385 31.823 0.226 0.000 0.991 235 V HN 0.958 nan 8.190 nan 0.000 0.437 236 D N 5.699 126.257 120.400 0.263 0.000 2.747 236 D HA 0.229 4.869 4.640 -0.000 0.000 0.218 236 D C -2.524 173.957 176.300 0.302 0.000 1.230 236 D CA -0.791 53.340 54.000 0.218 0.000 0.774 236 D CB 3.370 44.286 40.800 0.194 0.000 1.667 236 D HN 0.220 nan 8.370 nan 0.000 0.499 237 P HA 0.030 nan 4.420 nan 0.000 0.242 237 P C 0.237 177.748 177.300 0.350 0.000 1.197 237 P CA 0.304 63.520 63.100 0.193 0.000 0.765 237 P CB 0.598 32.361 31.700 0.104 0.000 0.936 238 R N -0.103 120.579 120.500 0.304 0.000 2.534 238 R HA 0.333 4.673 4.340 -0.000 0.000 0.301 238 R C -1.071 175.255 176.300 0.042 0.000 0.961 238 R CA -1.055 55.155 56.100 0.182 0.000 0.871 238 R CB 0.869 31.054 30.300 -0.191 0.000 1.170 238 R HN -0.169 nan 8.270 nan 0.000 0.446 239 F N 4.849 124.577 119.950 -0.369 0.000 2.651 239 F HA 0.087 4.614 4.527 -0.000 0.000 0.347 239 F C 0.586 176.138 175.800 -0.413 0.000 1.284 239 F CA 0.024 57.454 58.000 -0.949 0.000 1.175 239 F CB -0.061 38.263 39.000 -1.127 0.000 1.542 239 F HN 0.501 nan 8.300 nan 0.000 0.661 240 S N 1.815 117.200 115.700 -0.526 0.000 2.625 240 S HA 0.104 4.574 4.470 -0.000 0.000 0.258 240 S C 1.431 175.796 174.600 -0.392 0.000 1.256 240 S CA 0.047 58.029 58.200 -0.362 0.000 0.983 240 S CB 0.797 63.822 63.200 -0.292 0.000 1.032 240 S HN 0.483 nan 8.310 nan 0.000 0.572 241 T N 1.288 115.706 114.554 -0.227 0.000 2.737 241 T HA 0.008 4.358 4.350 -0.000 0.000 0.265 241 T C 2.169 176.743 174.700 -0.210 0.000 1.038 241 T CA 1.517 63.509 62.100 -0.181 0.000 1.144 241 T CB -1.046 67.753 68.868 -0.115 0.000 0.866 241 T HN 0.780 nan 8.240 nan 0.000 0.434 242 A N 1.332 124.028 122.820 -0.207 0.000 1.972 242 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 242 A C 2.577 180.047 177.584 -0.189 0.000 1.169 242 A CA 1.702 53.657 52.037 -0.137 0.000 0.635 242 A CB -0.931 17.928 19.000 -0.236 0.000 0.810 242 A HN 0.501 nan 8.150 nan 0.000 0.446 243 A N -0.259 122.301 122.820 -0.434 0.000 2.015 243 A HA 0.253 4.573 4.320 -0.000 0.000 0.219 243 A C 2.312 179.396 177.584 -0.833 0.000 1.163 243 A CA 1.571 53.198 52.037 -0.684 0.000 0.646 243 A CB -0.746 17.492 19.000 -1.270 0.000 0.806 243 A HN 1.040 nan 8.150 nan 0.000 0.448 244 A N -0.898 121.468 122.820 -0.756 0.000 2.172 244 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 244 A C 1.581 179.079 177.584 -0.144 0.000 1.154 244 A CA 1.321 53.138 52.037 -0.367 0.000 0.701 244 A CB -0.078 18.817 19.000 -0.175 0.000 0.789 244 A HN 0.264 nan 8.150 nan 0.000 0.465 245 K N -0.566 119.743 120.400 -0.151 0.000 2.387 245 K HA 0.420 4.740 4.320 -0.000 0.000 0.203 245 K C 0.302 176.790 176.600 -0.186 0.000 1.030 245 K CA 0.542 56.756 56.287 -0.122 0.000 1.099 245 K CB -0.060 32.409 32.500 -0.051 0.000 0.863 245 K HN 0.341 nan 8.250 nan 0.000 0.529 246 A N 0.930 123.654 122.820 -0.160 0.000 2.304 246 A HA 0.372 4.692 4.320 -0.000 0.000 0.301 246 A C 0.625 178.075 177.584 -0.224 0.000 1.132 246 A CA -0.425 51.528 52.037 -0.139 0.000 0.819 246 A CB 0.352 19.358 19.000 0.010 0.000 1.094 246 A HN 0.227 nan 8.150 nan 0.000 0.492 247 H N 1.211 120.311 119.070 0.050 0.000 2.403 247 H HA 0.042 4.598 4.556 -0.000 0.000 0.298 247 H C -0.004 175.397 175.328 0.121 0.000 1.059 247 H CA 1.023 57.114 56.048 0.070 0.000 1.363 247 H CB 0.285 30.068 29.762 0.036 0.000 1.410 247 H HN 0.568 nan 8.280 nan 0.000 0.528 248 R N -0.111 120.519 120.500 0.216 0.000 2.575 248 R HA 0.156 4.496 4.340 -0.000 0.000 0.293 248 R C -1.618 174.870 176.300 0.314 0.000 0.983 248 R CA -0.726 55.518 56.100 0.241 0.000 0.887 248 R CB 2.017 32.448 30.300 0.220 0.000 1.184 248 R HN 0.030 nan 8.270 nan 0.000 0.445 249 W N 6.021 127.414 121.300 0.156 0.000 2.361 249 W HA 0.383 5.043 4.660 -0.000 0.000 0.314 249 W C -1.408 175.204 176.519 0.156 0.000 1.041 249 W CA -1.223 56.222 57.345 0.166 0.000 1.241 249 W CB 0.825 30.455 29.460 0.282 0.000 1.279 249 W HN 0.463 nan 8.180 nan 0.000 0.436 250 L N 9.548 130.788 121.223 0.029 0.000 2.288 250 L HA 0.308 4.648 4.340 -0.000 0.000 0.283 250 L C -1.734 174.851 176.870 -0.476 0.000 1.072 250 L CA -1.874 52.860 54.840 -0.177 0.000 0.862 250 L CB 0.715 42.791 42.059 0.029 0.000 1.245 250 L HN 0.252 nan 8.230 nan 0.000 0.432 251 P HA 0.084 nan 4.420 nan 0.000 0.241 251 P C 0.382 177.506 177.300 -0.294 0.000 1.760 251 P CA 0.049 62.683 63.100 -0.777 0.000 1.081 251 P CB -0.024 31.000 31.700 -1.128 0.000 1.975 252 I N 1.453 121.929 120.570 -0.156 0.000 2.815 252 I HA -0.061 4.109 4.170 -0.000 0.000 0.291 252 I C 1.055 177.140 176.117 -0.053 0.000 1.209 252 I CA -0.143 61.100 61.300 -0.095 0.000 1.431 252 I CB 0.610 38.577 38.000 -0.054 0.000 1.351 252 I HN 0.149 nan 8.210 nan 0.000 0.585 253 K N 9.002 129.363 120.400 -0.065 0.000 2.412 253 K HA 0.236 4.556 4.320 -0.000 0.000 0.281 253 K C -2.396 174.198 176.600 -0.011 0.000 1.027 253 K CA -1.026 55.243 56.287 -0.030 0.000 0.989 253 K CB 0.582 33.057 32.500 -0.042 0.000 0.935 253 K HN 0.232 nan 8.250 nan 0.000 0.475 254 P HA -0.011 nan 4.420 nan 0.000 0.264 254 P C 0.104 177.318 177.300 -0.142 0.000 1.183 254 P CA 0.875 63.998 63.100 0.039 0.000 0.763 254 P CB 0.608 32.400 31.700 0.152 0.000 0.807 255 G N 1.858 110.435 108.800 -0.371 0.000 2.176 255 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 255 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 255 G C 0.657 175.418 174.900 -0.231 0.000 1.024 255 G CA 0.451 44.995 45.100 -0.927 0.000 0.755 255 G HN 0.574 nan 8.290 nan 0.000 0.507 256 T N -0.841 113.688 114.554 -0.041 0.000 3.145 256 T HA 0.244 4.594 4.350 -0.000 0.000 0.281 256 T C 1.629 176.267 174.700 -0.103 0.000 1.003 256 T CA 0.730 62.838 62.100 0.014 0.000 0.901 256 T CB 0.024 68.848 68.868 -0.072 0.000 1.112 256 T HN 0.311 nan 8.240 nan 0.000 0.535 257 D N 0.672 121.081 120.400 0.016 0.000 2.218 257 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 257 D C 1.957 178.223 176.300 -0.056 0.000 0.976 257 D CA 1.190 55.190 54.000 -0.001 0.000 0.853 257 D CB 0.017 40.917 40.800 0.166 0.000 0.939 257 D HN 0.301 nan 8.370 nan 0.000 0.481 258 T N -0.156 114.403 114.554 0.008 0.000 2.915 258 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 258 T C 2.047 176.693 174.700 -0.090 0.000 1.071 258 T CA 0.985 63.087 62.100 0.004 0.000 1.132 258 T CB -0.189 68.738 68.868 0.099 0.000 0.878 258 T HN 0.211 nan 8.240 nan 0.000 0.479 259 A N 1.424 124.068 122.820 -0.293 0.000 1.968 259 A HA 0.140 4.460 4.320 -0.000 0.000 0.217 259 A C 2.229 179.645 177.584 -0.281 0.000 1.169 259 A CA 0.690 52.462 52.037 -0.442 0.000 0.638 259 A CB -0.600 17.586 19.000 -1.357 0.000 0.812 259 A HN 0.437 nan 8.150 nan 0.000 0.446 260 L N -0.558 120.433 121.223 -0.387 0.000 2.072 260 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 260 L C 2.263 178.778 176.870 -0.592 0.000 1.079 260 L CA 1.442 55.948 54.840 -0.557 0.000 0.752 260 L CB -0.542 41.146 42.059 -0.618 0.000 0.906 260 L HN 0.413 nan 8.230 nan 0.000 0.436 261 L N -0.351 120.692 121.223 -0.300 0.000 2.027 261 L HA -0.247 4.093 4.340 -0.000 0.000 0.206 261 L C 2.647 179.569 176.870 0.087 0.000 1.074 261 L CA 1.049 55.862 54.840 -0.044 0.000 0.745 261 L CB -0.456 41.623 42.059 0.034 0.000 0.898 261 L HN 0.245 nan 8.230 nan 0.000 0.433 262 L N -0.390 120.861 121.223 0.046 0.000 2.042 262 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 262 L C 2.774 179.781 176.870 0.228 0.000 1.076 262 L CA 1.239 56.148 54.840 0.114 0.000 0.749 262 L CB -0.754 41.240 42.059 -0.108 0.000 0.893 262 L HN 0.263 nan 8.230 nan 0.000 0.432 263 A N -1.248 121.685 122.820 0.188 0.000 2.066 263 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 263 A C 1.911 179.688 177.584 0.322 0.000 1.157 263 A CA 0.835 52.999 52.037 0.211 0.000 0.670 263 A CB -0.545 18.527 19.000 0.120 0.000 0.804 263 A HN 0.491 nan 8.150 nan 0.000 0.453 264 W N -0.359 121.050 121.300 0.183 0.000 2.494 264 W HA 0.121 4.781 4.660 -0.000 0.000 0.286 264 W C 1.969 178.613 176.519 0.208 0.000 1.218 264 W CA -0.040 57.413 57.345 0.180 0.000 1.313 264 W CB -0.865 28.690 29.460 0.159 0.000 1.105 264 W HN 0.262 nan 8.180 nan 0.000 0.561 265 I N -0.475 120.358 120.570 0.439 0.000 2.163 265 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 265 I C 2.507 178.825 176.117 0.335 0.000 1.085 265 I CA 2.090 63.597 61.300 0.346 0.000 1.347 265 I CB -0.677 37.514 38.000 0.319 0.000 1.044 265 I HN 0.001 nan 8.210 nan 0.000 0.408 266 H N 0.167 119.385 119.070 0.246 0.000 2.319 266 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 266 H C 2.183 177.659 175.328 0.247 0.000 1.092 266 H CA 2.154 58.319 56.048 0.194 0.000 1.302 266 H CB 0.079 29.876 29.762 0.058 0.000 1.373 266 H HN 0.076 nan 8.280 nan 0.000 0.497 267 V N 0.774 120.983 119.914 0.490 0.000 2.427 267 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 267 V C 2.522 178.793 176.094 0.295 0.000 1.051 267 V CA 1.739 64.278 62.300 0.399 0.000 1.048 267 V CB -0.471 31.555 31.823 0.338 0.000 0.666 267 V HN 0.428 nan 8.190 nan 0.000 0.456 268 L N -0.990 120.395 121.223 0.270 0.000 2.156 268 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 268 L C 2.248 179.267 176.870 0.249 0.000 1.095 268 L CA 1.352 56.336 54.840 0.240 0.000 0.770 268 L CB -0.430 41.762 42.059 0.222 0.000 0.914 268 L HN 0.250 nan 8.230 nan 0.000 0.439 269 I N -1.651 119.023 120.570 0.173 0.000 2.296 269 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 269 I C 2.208 178.382 176.117 0.095 0.000 1.087 269 I CA 1.130 62.451 61.300 0.036 0.000 1.393 269 I CB -0.119 37.893 38.000 0.019 0.000 1.093 269 I HN 0.075 nan 8.210 nan 0.000 0.421 270 Y N 0.758 121.034 120.300 -0.040 0.000 2.439 270 Y HA -0.082 4.468 4.550 -0.000 0.000 0.292 270 Y C 2.118 178.054 175.900 0.061 0.000 1.130 270 Y CA 0.858 58.929 58.100 -0.048 0.000 1.254 270 Y CB -0.188 38.117 38.460 -0.258 0.000 1.000 270 Y HN 0.187 nan 8.280 nan 0.000 0.554 271 E N -0.532 119.811 120.200 0.238 0.000 2.474 271 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 271 E C -0.275 176.416 176.600 0.151 0.000 1.039 271 E CA 0.311 56.821 56.400 0.182 0.000 0.881 271 E CB 0.134 29.939 29.700 0.175 0.000 0.970 271 E HN 0.221 nan 8.360 nan 0.000 0.486 272 D N 0.037 120.552 120.400 0.192 0.000 2.716 272 D HA -0.186 4.454 4.640 -0.000 0.000 0.239 272 D C 0.075 176.462 176.300 0.146 0.000 1.125 272 D CA 0.362 54.484 54.000 0.202 0.000 0.681 272 D CB -1.116 39.744 40.800 0.101 0.000 1.070 272 D HN 0.245 nan 8.370 nan 0.000 0.432 273 L N -0.128 121.222 121.223 0.212 0.000 2.616 273 L HA 0.169 4.509 4.340 -0.000 0.000 0.229 273 L C 1.316 178.267 176.870 0.136 0.000 1.110 273 L CA -0.550 54.364 54.840 0.124 0.000 0.884 273 L CB -0.245 41.880 42.059 0.110 0.000 1.115 273 L HN 0.332 nan 8.230 nan 0.000 0.481 274 Y N -1.295 119.025 120.300 0.034 0.000 2.330 274 Y HA 0.181 4.731 4.550 -0.000 0.000 0.341 274 Y C 0.439 176.342 175.900 0.006 0.000 1.278 274 Y CA -0.997 57.120 58.100 0.029 0.000 1.453 274 Y CB 0.194 38.683 38.460 0.049 0.000 1.342 274 Y HN -0.122 nan 8.280 nan 0.000 0.590 275 D N 2.372 122.793 120.400 0.036 0.000 2.383 275 D HA 0.030 4.670 4.640 -0.000 0.000 0.245 275 D C 0.285 176.518 176.300 -0.111 0.000 1.263 275 D CA 0.017 53.997 54.000 -0.033 0.000 0.936 275 D CB 0.673 41.520 40.800 0.078 0.000 1.053 275 D HN 0.732 nan 8.370 nan 0.000 0.507 276 K N 2.850 123.041 120.400 -0.349 0.000 2.009 276 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 276 K C 1.623 178.141 176.600 -0.138 0.000 1.049 276 K CA 1.104 57.163 56.287 -0.380 0.000 0.929 276 K CB 0.179 32.437 32.500 -0.403 0.000 0.714 276 K HN 0.508 nan 8.250 nan 0.000 0.440 277 E N 0.349 120.511 120.200 -0.063 0.000 2.038 277 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 277 E C 2.065 178.679 176.600 0.023 0.000 1.000 277 E CA 1.424 57.809 56.400 -0.025 0.000 0.803 277 E CB -0.364 29.344 29.700 0.013 0.000 0.750 277 E HN 0.311 nan 8.360 nan 0.000 0.448 278 Y N 1.487 121.819 120.300 0.054 0.000 2.114 278 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 278 Y C 2.322 178.327 175.900 0.175 0.000 1.165 278 Y CA 1.508 59.741 58.100 0.221 0.000 1.148 278 Y CB -0.196 38.424 38.460 0.268 0.000 0.972 278 Y HN -0.163 nan 8.280 nan 0.000 0.504 279 V N -0.048 120.034 119.914 0.280 0.000 2.343 279 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 279 V C 2.596 178.691 176.094 0.001 0.000 1.051 279 V CA 1.684 64.078 62.300 0.157 0.000 1.036 279 V CB -1.474 30.383 31.823 0.056 0.000 0.654 279 V HN 0.582 nan 8.190 nan 0.000 0.451 280 A N 1.132 123.912 122.820 -0.067 0.000 1.883 280 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 280 A C 2.198 179.672 177.584 -0.183 0.000 1.186 280 A CA 2.287 54.259 52.037 -0.108 0.000 0.624 280 A CB -0.410 18.523 19.000 -0.112 0.000 0.822 280 A HN 0.704 nan 8.150 nan 0.000 0.444 281 K N -2.208 117.977 120.400 -0.359 0.000 2.400 281 K HA 0.070 4.390 4.320 -0.000 0.000 0.194 281 K C 0.178 176.376 176.600 -0.671 0.000 1.033 281 K CA 0.940 56.868 56.287 -0.599 0.000 1.021 281 K CB -0.077 31.918 32.500 -0.843 0.000 0.808 281 K HN 0.653 nan 8.250 nan 0.000 0.505 282 Y N 0.505 120.746 120.300 -0.099 0.000 2.717 282 Y HA 0.278 4.828 4.550 -0.000 0.000 0.250 282 Y C -0.007 175.950 175.900 0.095 0.000 1.149 282 Y CA -0.757 57.331 58.100 -0.020 0.000 1.211 282 Y CB 1.553 39.845 38.460 -0.280 0.000 1.289 282 Y HN -0.191 nan 8.280 nan 0.000 0.552 283 T N 1.518 116.163 114.554 0.152 0.000 2.841 283 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 283 T C -0.592 174.148 174.700 0.067 0.000 0.991 283 T CA -0.451 61.735 62.100 0.143 0.000 0.966 283 T CB 1.608 70.582 68.868 0.177 0.000 0.962 283 T HN -0.165 nan 8.240 nan 0.000 0.438 284 V N 2.361 122.294 119.914 0.032 0.000 2.713 284 V HA 0.680 4.800 4.120 -0.000 0.000 0.307 284 V C 1.193 177.286 176.094 -0.002 0.000 1.052 284 V CA -0.240 62.057 62.300 -0.004 0.000 0.967 284 V CB 1.448 33.241 31.823 -0.051 0.000 1.019 284 V HN 1.185 nan 8.190 nan 0.000 0.459 285 G N 2.912 111.711 108.800 -0.003 0.000 2.393 285 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.299 285 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.299 285 G C 0.323 175.197 174.900 -0.043 0.000 0.990 285 G CA 0.962 46.042 45.100 -0.032 0.000 1.118 285 G HN 1.150 nan 8.290 nan 0.000 0.513 286 F N -0.263 119.631 119.950 -0.094 0.000 2.367 286 F HA 0.230 4.757 4.527 -0.000 0.000 0.298 286 F C 1.962 177.694 175.800 -0.113 0.000 1.094 286 F CA 1.415 59.348 58.000 -0.112 0.000 1.409 286 F CB 0.181 39.150 39.000 -0.052 0.000 1.064 286 F HN 0.272 nan 8.300 nan 0.000 0.528 287 E N 0.856 120.810 120.200 -0.410 0.000 2.072 287 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 287 E C 2.127 178.493 176.600 -0.391 0.000 0.985 287 E CA 1.443 57.553 56.400 -0.483 0.000 0.801 287 E CB -0.319 29.290 29.700 -0.152 0.000 0.750 287 E HN 0.577 nan 8.360 nan 0.000 0.452 288 E N 0.049 120.088 120.200 -0.267 0.000 2.118 288 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 288 E C 1.954 178.425 176.600 -0.216 0.000 0.992 288 E CA 0.646 56.927 56.400 -0.199 0.000 0.804 288 E CB -0.054 29.534 29.700 -0.187 0.000 0.741 288 E HN 0.229 nan 8.360 nan 0.000 0.458 289 L N 0.838 121.869 121.223 -0.320 0.000 2.056 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 289 L C 2.602 179.355 176.870 -0.195 0.000 1.078 289 L CA 1.441 56.121 54.840 -0.267 0.000 0.749 289 L CB -0.324 41.528 42.059 -0.345 0.000 0.901 289 L HN 0.115 nan 8.230 nan 0.000 0.433 290 K N -0.088 120.061 120.400 -0.418 0.000 2.026 290 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 290 K C 1.957 178.519 176.600 -0.063 0.000 1.048 290 K CA 1.469 57.581 56.287 -0.290 0.000 0.929 290 K CB -0.058 32.106 32.500 -0.560 0.000 0.713 290 K HN 0.324 nan 8.250 nan 0.000 0.439 291 A N 1.013 123.767 122.820 -0.111 0.000 1.930 291 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 291 A C 2.153 179.718 177.584 -0.032 0.000 1.175 291 A CA 1.460 53.469 52.037 -0.048 0.000 0.627 291 A CB -0.946 18.015 19.000 -0.065 0.000 0.815 291 A HN 0.571 nan 8.150 nan 0.000 0.443 292 H N -0.584 118.429 119.070 -0.095 0.000 2.319 292 H HA -0.072 4.484 4.556 -0.000 0.000 0.299 292 H C 1.351 176.608 175.328 -0.118 0.000 1.092 292 H CA 2.018 58.030 56.048 -0.060 0.000 1.302 292 H CB 0.050 29.814 29.762 0.003 0.000 1.373 292 H HN 0.220 nan 8.280 nan 0.000 0.497 293 V N 2.201 122.130 119.914 0.024 0.000 3.636 293 V HA -0.058 4.062 4.120 -0.000 0.000 0.279 293 V C 2.284 178.242 176.094 -0.227 0.000 1.263 293 V CA 0.512 62.822 62.300 0.017 0.000 1.182 293 V CB -0.446 31.528 31.823 0.251 0.000 0.955 293 V HN 0.342 nan 8.190 nan 0.000 0.443 294 K N 0.631 120.832 120.400 -0.331 0.000 2.020 294 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 294 K C 1.371 177.728 176.600 -0.407 0.000 1.050 294 K CA 2.099 58.172 56.287 -0.357 0.000 0.929 294 K CB -0.014 32.373 32.500 -0.188 0.000 0.714 294 K HN 0.462 nan 8.250 nan 0.000 0.443 295 D N -0.448 119.592 120.400 -0.600 0.000 2.354 295 D HA -0.008 4.632 4.640 -0.000 0.000 0.209 295 D C -0.062 175.853 176.300 -0.642 0.000 1.015 295 D CA 0.253 53.913 54.000 -0.567 0.000 0.867 295 D CB 0.089 40.544 40.800 -0.575 0.000 0.933 295 D HN 0.176 nan 8.370 nan 0.000 0.520 296 F N 1.964 121.599 119.950 -0.526 0.000 2.651 296 F HA 0.084 4.611 4.527 -0.000 0.000 0.347 296 F C 1.334 176.916 175.800 -0.363 0.000 1.284 296 F CA -0.326 57.258 58.000 -0.694 0.000 1.175 296 F CB 0.197 38.781 39.000 -0.693 0.000 1.542 296 F HN -0.308 nan 8.300 nan 0.000 0.661 297 T N 1.446 115.909 114.554 -0.152 0.000 2.934 297 T HA 0.276 4.626 4.350 -0.000 0.000 0.283 297 T C -1.596 173.097 174.700 -0.012 0.000 1.005 297 T CA -2.353 59.534 62.100 -0.354 0.000 1.041 297 T CB 1.704 70.400 68.868 -0.286 0.000 1.042 297 T HN 0.060 nan 8.240 nan 0.000 0.505 298 P HA -0.084 nan 4.420 nan 0.000 0.220 298 P C 1.151 178.459 177.300 0.013 0.000 1.144 298 P CA 0.952 64.066 63.100 0.023 0.000 0.800 298 P CB 0.168 31.897 31.700 0.049 0.000 0.772 299 E N -1.866 118.346 120.200 0.020 0.000 2.122 299 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 299 E C 2.001 178.618 176.600 0.028 0.000 0.977 299 E CA 0.747 57.152 56.400 0.009 0.000 0.820 299 E CB -1.158 28.549 29.700 0.011 0.000 0.770 299 E HN 0.422 nan 8.360 nan 0.000 0.462 300 W N 2.626 123.875 121.300 -0.084 0.000 2.381 300 W HA -0.042 4.618 4.660 -0.000 0.000 0.301 300 W C 2.378 178.857 176.519 -0.066 0.000 1.205 300 W CA 2.209 59.525 57.345 -0.049 0.000 1.285 300 W CB -0.199 29.281 29.460 0.033 0.000 1.133 300 W HN 0.061 nan 8.180 nan 0.000 0.521 301 A N 0.751 123.494 122.820 -0.127 0.000 1.877 301 A HA -0.273 4.047 4.320 -0.000 0.000 0.216 301 A C 1.972 179.312 177.584 -0.407 0.000 1.186 301 A CA 1.993 53.774 52.037 -0.427 0.000 0.620 301 A CB -1.386 17.516 19.000 -0.163 0.000 0.822 301 A HN 0.581 nan 8.150 nan 0.000 0.443 302 E N -0.001 120.049 120.200 -0.249 0.000 2.273 302 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 302 E C 1.923 178.369 176.600 -0.256 0.000 1.002 302 E CA 1.619 57.893 56.400 -0.210 0.000 0.828 302 E CB -0.163 29.461 29.700 -0.126 0.000 0.747 302 E HN 0.642 nan 8.360 nan 0.000 0.491 303 K N -0.586 119.597 120.400 -0.362 0.000 2.103 303 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 303 K C 1.804 178.109 176.600 -0.492 0.000 1.052 303 K CA 1.329 57.357 56.287 -0.432 0.000 0.945 303 K CB 0.039 32.219 32.500 -0.533 0.000 0.722 303 K HN 0.374 nan 8.250 nan 0.000 0.443 304 H N -1.357 117.465 119.070 -0.414 0.000 2.476 304 H HA 0.051 4.607 4.556 -0.000 0.000 0.292 304 H C 1.889 177.013 175.328 -0.341 0.000 1.019 304 H CA 0.924 56.745 56.048 -0.379 0.000 1.330 304 H CB 0.178 29.549 29.762 -0.653 0.000 1.451 304 H HN 0.115 nan 8.280 nan 0.000 0.535 305 T N 0.030 114.405 114.554 -0.299 0.000 2.851 305 T HA -0.068 4.282 4.350 -0.000 0.000 0.262 305 T C 0.714 175.303 174.700 -0.185 0.000 1.043 305 T CA 1.037 62.976 62.100 -0.268 0.000 1.140 305 T CB 0.146 68.810 68.868 -0.341 0.000 0.872 305 T HN 0.453 nan 8.240 nan 0.000 0.446 306 E N -0.741 119.351 120.200 -0.181 0.000 4.047 306 E HA -0.139 4.211 4.350 -0.000 0.000 0.340 306 E C -0.564 175.957 176.600 -0.132 0.000 0.720 306 E CA 0.097 56.411 56.400 -0.142 0.000 1.320 306 E CB -1.415 28.215 29.700 -0.117 0.000 1.685 306 E HN 0.484 nan 8.360 nan 0.000 0.416 307 I N 1.758 122.245 120.570 -0.138 0.000 2.353 307 I HA 0.234 4.404 4.170 -0.000 0.000 0.293 307 I C -2.099 173.971 176.117 -0.078 0.000 0.992 307 I CA -2.137 59.099 61.300 -0.107 0.000 1.268 307 I CB 0.818 38.756 38.000 -0.102 0.000 1.387 307 I HN -0.214 nan 8.210 nan 0.000 0.478 308 P HA -0.045 nan 4.420 nan 0.000 0.266 308 P C 0.284 177.582 177.300 -0.004 0.000 1.193 308 P CA 0.023 63.106 63.100 -0.027 0.000 0.770 308 P CB 0.713 32.407 31.700 -0.009 0.000 0.836 309 A N 2.374 125.191 122.820 -0.004 0.000 1.972 309 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 309 A C 2.182 179.801 177.584 0.059 0.000 1.169 309 A CA 1.858 53.907 52.037 0.020 0.000 0.635 309 A CB -1.105 17.901 19.000 0.009 0.000 0.810 309 A HN 0.559 nan 8.150 nan 0.000 0.446 310 Q N 0.004 119.837 119.800 0.055 0.000 2.050 310 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 310 Q C 1.874 177.934 176.000 0.101 0.000 0.980 310 Q CA 2.251 58.097 55.803 0.071 0.000 0.840 310 Q CB -0.646 28.125 28.738 0.055 0.000 0.898 310 Q HN 0.324 nan 8.270 nan 0.000 0.424 311 V N 0.731 120.705 119.914 0.099 0.000 2.287 311 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 311 V C 2.306 178.532 176.094 0.221 0.000 1.053 311 V CA 2.025 64.408 62.300 0.138 0.000 1.027 311 V CB -0.657 31.231 31.823 0.108 0.000 0.646 311 V HN 0.422 nan 8.190 nan 0.000 0.447 312 I N -0.745 119.957 120.570 0.219 0.000 2.208 312 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 312 I C 2.797 179.188 176.117 0.456 0.000 1.097 312 I CA 1.698 63.225 61.300 0.378 0.000 1.363 312 I CB -0.498 37.604 38.000 0.169 0.000 1.051 312 I HN 0.232 nan 8.210 nan 0.000 0.413 313 R N 0.672 121.329 120.500 0.261 0.000 2.062 313 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 313 R C 2.289 178.676 176.300 0.145 0.000 1.136 313 R CA 1.624 57.845 56.100 0.201 0.000 0.948 313 R CB -0.250 30.134 30.300 0.141 0.000 0.845 313 R HN 0.374 nan 8.270 nan 0.000 0.430 314 E N -0.184 120.094 120.200 0.130 0.000 2.070 314 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 314 E C 1.978 178.619 176.600 0.067 0.000 1.004 314 E CA 1.649 58.105 56.400 0.093 0.000 0.805 314 E CB 0.005 29.769 29.700 0.106 0.000 0.744 314 E HN 0.099 nan 8.360 nan 0.000 0.451 315 V N 0.990 120.970 119.914 0.110 0.000 2.343 315 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 315 V C 2.252 178.181 176.094 -0.274 0.000 1.051 315 V CA 1.868 64.175 62.300 0.012 0.000 1.036 315 V CB -0.685 31.212 31.823 0.123 0.000 0.654 315 V HN 0.355 nan 8.190 nan 0.000 0.451 316 A N -0.284 122.341 122.820 -0.325 0.000 1.969 316 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 316 A C 2.367 179.858 177.584 -0.155 0.000 1.169 316 A CA 1.621 53.458 52.037 -0.334 0.000 0.635 316 A CB -0.423 18.514 19.000 -0.105 0.000 0.810 316 A HN 0.509 nan 8.150 nan 0.000 0.445 317 R N -0.125 120.327 120.500 -0.080 0.000 2.066 317 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 317 R C 2.116 178.333 176.300 -0.138 0.000 1.131 317 R CA 1.607 57.669 56.100 -0.062 0.000 0.955 317 R CB -0.332 29.959 30.300 -0.015 0.000 0.851 317 R HN 0.671 nan 8.270 nan 0.000 0.432 318 E N 0.856 120.942 120.200 -0.189 0.000 2.118 318 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 318 E C 2.118 178.374 176.600 -0.574 0.000 0.992 318 E CA 1.636 57.842 56.400 -0.322 0.000 0.804 318 E CB -0.201 29.314 29.700 -0.308 0.000 0.741 318 E HN 0.474 nan 8.360 nan 0.000 0.458 319 M N -0.078 119.165 119.600 -0.595 0.000 2.193 319 M HA 0.094 4.574 4.480 -0.000 0.000 0.265 319 M C 2.441 178.624 176.300 -0.195 0.000 1.071 319 M CA 1.617 56.620 55.300 -0.495 0.000 1.140 319 M CB -0.239 32.201 32.600 -0.267 0.000 1.369 319 M HN 0.002 nan 8.290 nan 0.000 0.423 320 A N 1.466 124.200 122.820 -0.143 0.000 1.883 320 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 320 A C 2.488 180.016 177.584 -0.092 0.000 1.186 320 A CA 2.276 54.273 52.037 -0.066 0.000 0.624 320 A CB -1.320 17.663 19.000 -0.028 0.000 0.822 320 A HN 0.732 nan 8.150 nan 0.000 0.444 321 A N -1.873 120.856 122.820 -0.152 0.000 2.194 321 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 321 A C 1.816 179.210 177.584 -0.316 0.000 1.162 321 A CA 1.634 53.534 52.037 -0.228 0.000 0.674 321 A CB -0.738 18.086 19.000 -0.294 0.000 0.789 321 A HN 0.724 nan 8.150 nan 0.000 0.470 322 H N -0.393 118.595 119.070 -0.137 0.000 2.874 322 H HA 0.073 4.629 4.556 -0.000 0.000 0.264 322 H C 0.052 175.351 175.328 -0.049 0.000 1.007 322 H CA 0.322 56.318 56.048 -0.088 0.000 1.207 322 H CB 0.197 29.904 29.762 -0.090 0.000 1.487 322 H HN 0.654 nan 8.280 nan 0.000 0.505 323 K N 2.674 123.101 120.400 0.044 0.000 2.559 323 K HA -0.013 4.307 4.320 -0.000 0.000 0.279 323 K C -1.832 174.780 176.600 0.019 0.000 0.967 323 K CA -0.608 55.696 56.287 0.028 0.000 1.000 323 K CB 0.271 32.777 32.500 0.010 0.000 0.890 323 K HN 0.017 nan 8.250 nan 0.000 0.501 324 P HA -0.016 nan 4.420 nan 0.000 0.253 324 P C -0.286 177.029 177.300 0.024 0.000 1.260 324 P CA 0.410 63.518 63.100 0.013 0.000 0.800 324 P CB 0.287 31.992 31.700 0.009 0.000 1.162 325 R N 0.406 120.930 120.500 0.040 0.000 3.081 325 R HA 0.489 4.829 4.340 -0.000 0.000 0.280 325 R C 0.178 176.510 176.300 0.053 0.000 1.372 325 R CA -0.142 55.983 56.100 0.042 0.000 1.242 325 R CB 0.215 30.545 30.300 0.050 0.000 1.316 325 R HN 0.061 nan 8.270 nan 0.000 0.585 326 A N 0.849 123.704 122.820 0.058 0.000 2.335 326 A HA 0.581 4.901 4.320 -0.000 0.000 0.304 326 A C -0.365 177.249 177.584 0.050 0.000 1.118 326 A CA -0.634 51.456 52.037 0.089 0.000 0.757 326 A CB 1.383 20.439 19.000 0.093 0.000 1.188 326 A HN 0.087 nan 8.150 nan 0.000 0.460 327 V N 0.711 120.633 119.914 0.013 0.000 2.789 327 V HA 0.616 4.736 4.120 -0.000 0.000 0.311 327 V C -0.830 175.256 176.094 -0.013 0.000 1.073 327 V CA -0.744 61.521 62.300 -0.058 0.000 0.921 327 V CB 1.528 33.167 31.823 -0.306 0.000 1.009 327 V HN 0.623 nan 8.190 nan 0.000 0.426 328 L N 5.527 126.786 121.223 0.061 0.000 2.360 328 L HA 0.502 4.842 4.340 -0.000 0.000 0.265 328 L C -2.384 174.540 176.870 0.090 0.000 1.066 328 L CA -1.217 53.695 54.840 0.121 0.000 0.929 328 L CB 0.751 42.940 42.059 0.217 0.000 1.306 328 L HN 0.482 nan 8.230 nan 0.000 0.434 329 P HA 0.135 nan 4.420 nan 0.000 0.268 329 P C -2.498 174.931 177.300 0.214 0.000 1.204 329 P CA -1.117 61.969 63.100 -0.023 0.000 0.768 329 P CB -0.177 31.429 31.700 -0.156 0.000 0.842 330 P HA 0.086 nan 4.420 nan 0.000 0.276 330 P C 0.258 177.577 177.300 0.031 0.000 1.235 330 P CA 0.054 63.241 63.100 0.146 0.000 0.772 330 P CB 0.273 32.057 31.700 0.141 0.000 0.871 331 T N 1.824 116.328 114.554 -0.083 0.000 2.748 331 T HA 0.048 4.398 4.350 -0.000 0.000 0.304 331 T C 1.428 176.032 174.700 -0.159 0.000 1.041 331 T CA -0.064 61.821 62.100 -0.358 0.000 1.033 331 T CB 0.330 69.147 68.868 -0.086 0.000 0.995 331 T HN 0.358 nan 8.240 nan 0.000 0.536 332 R N -0.074 120.372 120.500 -0.090 0.000 2.074 332 R HA 0.070 4.410 4.340 -0.000 0.000 0.218 332 R C 0.494 176.865 176.300 0.118 0.000 1.137 332 R CA 0.405 56.549 56.100 0.073 0.000 0.998 332 R CB -0.184 30.228 30.300 0.186 0.000 0.895 332 R HN 0.764 nan 8.270 nan 0.000 0.442 333 H N 0.921 120.052 119.070 0.102 0.000 2.846 333 H HA 0.195 4.751 4.556 -0.000 0.000 0.278 333 H C -0.399 175.028 175.328 0.164 0.000 1.117 333 H CA -0.031 56.108 56.048 0.152 0.000 1.406 333 H CB 0.415 30.311 29.762 0.223 0.000 1.445 333 H HN 0.164 nan 8.280 nan 0.000 0.469 334 N N 4.122 122.627 118.700 -0.325 0.000 2.235 334 N HA 0.010 4.750 4.740 -0.000 0.000 0.231 334 N C 0.538 175.667 175.510 -0.634 0.000 1.177 334 N CA 0.134 52.776 53.050 -0.679 0.000 0.874 334 N CB 1.188 39.378 38.487 -0.495 0.000 1.097 334 N HN 0.393 nan 8.380 nan 0.000 0.518 335 V N 0.076 119.711 119.914 -0.465 0.000 3.235 335 V HA -0.062 4.058 4.120 -0.000 0.000 0.259 335 V C 1.336 177.417 176.094 -0.023 0.000 1.133 335 V CA 0.364 62.509 62.300 -0.259 0.000 1.128 335 V CB -0.525 31.130 31.823 -0.279 0.000 0.757 335 V HN 0.301 nan 8.190 nan 0.000 0.469 336 W N -0.033 121.110 121.300 -0.262 0.000 2.034 336 W HA -0.291 4.369 4.660 -0.000 0.000 0.353 336 W C 0.929 176.975 176.519 -0.788 0.000 1.594 336 W CA 1.600 58.653 57.345 -0.487 0.000 1.772 336 W CB -1.576 27.641 29.460 -0.405 0.000 0.982 336 W HN 0.338 nan 8.180 nan 0.000 0.473 337 Y N -3.620 116.842 120.300 0.270 0.000 2.644 337 Y HA 0.559 5.109 4.550 -0.000 0.000 0.338 337 Y C 1.309 177.242 175.900 0.054 0.000 1.119 337 Y CA -0.755 57.431 58.100 0.143 0.000 1.060 337 Y CB 0.414 38.969 38.460 0.158 0.000 1.294 337 Y HN -0.194 nan 8.280 nan 0.000 0.472 338 G N -0.140 108.757 108.800 0.161 0.000 2.448 338 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 338 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 338 G C 0.838 175.751 174.900 0.021 0.000 1.127 338 G CA 1.314 46.456 45.100 0.070 0.000 0.766 338 G HN 0.776 nan 8.290 nan 0.000 0.552 339 D N 1.050 121.484 120.400 0.057 0.000 2.317 339 D HA -0.063 4.577 4.640 -0.000 0.000 0.211 339 D C 1.412 177.673 176.300 -0.065 0.000 0.966 339 D CA 0.689 54.700 54.000 0.019 0.000 0.876 339 D CB -0.552 40.321 40.800 0.122 0.000 0.927 339 D HN 0.253 nan 8.370 nan 0.000 0.519 340 D N 0.823 121.184 120.400 -0.065 0.000 4.399 340 D HA -0.293 4.347 4.640 -0.000 0.000 0.192 340 D C 1.538 177.693 176.300 -0.242 0.000 1.389 340 D CA 2.654 56.550 54.000 -0.173 0.000 0.883 340 D CB -0.834 39.826 40.800 -0.234 0.000 0.872 340 D HN 0.326 nan 8.370 nan 0.000 0.589 341 T N -0.210 114.157 114.554 -0.310 0.000 2.867 341 T HA -0.128 4.221 4.350 -0.000 0.000 0.268 341 T C 1.877 176.419 174.700 -0.263 0.000 1.057 341 T CA 0.742 62.618 62.100 -0.373 0.000 1.136 341 T CB -0.410 68.141 68.868 -0.527 0.000 0.874 341 T HN 0.401 nan 8.240 nan 0.000 0.466 342 Y N 1.145 121.330 120.300 -0.191 0.000 2.145 342 Y HA -0.130 4.420 4.550 -0.000 0.000 0.286 342 Y C 2.974 178.769 175.900 -0.176 0.000 1.145 342 Y CA 0.856 58.858 58.100 -0.164 0.000 1.148 342 Y CB -0.101 38.305 38.460 -0.090 0.000 0.981 342 Y HN 0.015 nan 8.280 nan 0.000 0.507 343 R N 0.508 121.020 120.500 0.021 0.000 2.083 343 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 343 R C 1.961 178.190 176.300 -0.118 0.000 1.137 343 R CA 2.052 58.122 56.100 -0.049 0.000 0.951 343 R CB -0.614 29.642 30.300 -0.073 0.000 0.851 343 R HN 0.192 nan 8.270 nan 0.000 0.434 344 V N 1.319 121.128 119.914 -0.174 0.000 2.343 344 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 344 V C 2.521 178.491 176.094 -0.207 0.000 1.051 344 V CA 2.132 64.327 62.300 -0.175 0.000 1.036 344 V CB -0.500 31.203 31.823 -0.200 0.000 0.654 344 V HN 0.375 nan 8.190 nan 0.000 0.451 345 M N 0.233 119.666 119.600 -0.279 0.000 2.082 345 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 345 M C 2.382 178.160 176.300 -0.870 0.000 1.069 345 M CA 2.408 57.408 55.300 -0.501 0.000 1.102 345 M CB -0.627 31.734 32.600 -0.399 0.000 1.336 345 M HN 0.411 nan 8.290 nan 0.000 0.404 346 A N 0.009 122.496 122.820 -0.554 0.000 1.933 346 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 346 A C 2.156 179.681 177.584 -0.098 0.000 1.175 346 A CA 1.570 53.405 52.037 -0.337 0.000 0.628 346 A CB -0.934 18.006 19.000 -0.100 0.000 0.814 346 A HN 0.561 nan 8.150 nan 0.000 0.444 347 L N -0.642 120.551 121.223 -0.051 0.000 2.093 347 L HA -0.080 4.259 4.340 -0.000 0.000 0.208 347 L C 2.241 179.185 176.870 0.124 0.000 1.085 347 L CA 1.253 56.147 54.840 0.089 0.000 0.755 347 L CB -0.173 41.937 42.059 0.085 0.000 0.904 347 L HN 0.402 nan 8.230 nan 0.000 0.435 348 L N -1.490 119.750 121.223 0.028 0.000 2.109 348 L HA -0.203 4.136 4.340 -0.000 0.000 0.207 348 L C 2.436 179.426 176.870 0.200 0.000 1.086 348 L CA 1.253 56.160 54.840 0.112 0.000 0.760 348 L CB -0.768 41.304 42.059 0.021 0.000 0.910 348 L HN 0.311 nan 8.230 nan 0.000 0.437 349 Y N -0.646 119.697 120.300 0.071 0.000 2.145 349 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 349 Y C 2.681 178.663 175.900 0.138 0.000 1.145 349 Y CA 0.529 58.675 58.100 0.078 0.000 1.148 349 Y CB -0.307 38.194 38.460 0.067 0.000 0.981 349 Y HN -0.080 nan 8.280 nan 0.000 0.507 350 V N 0.722 120.829 119.914 0.321 0.000 2.392 350 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 350 V C 1.850 178.089 176.094 0.242 0.000 1.059 350 V CA 1.897 64.364 62.300 0.278 0.000 1.051 350 V CB -0.564 31.438 31.823 0.297 0.000 0.658 350 V HN 0.515 nan 8.190 nan 0.000 0.455 351 N N -0.022 118.838 118.700 0.267 0.000 2.142 351 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 351 N C 1.837 177.475 175.510 0.214 0.000 1.023 351 N CA 1.322 54.542 53.050 0.284 0.000 0.852 351 N CB -0.223 38.527 38.487 0.438 0.000 0.998 351 N HN 0.356 nan 8.380 nan 0.000 0.424 352 V N 2.205 122.261 119.914 0.237 0.000 2.295 352 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 352 V C 2.416 178.597 176.094 0.145 0.000 1.049 352 V CA 1.160 63.584 62.300 0.207 0.000 1.024 352 V CB -0.465 31.511 31.823 0.255 0.000 0.648 352 V HN 0.260 nan 8.190 nan 0.000 0.447 353 L N -0.765 120.577 121.223 0.198 0.000 2.261 353 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 353 L C 2.115 179.091 176.870 0.177 0.000 1.114 353 L CA 1.270 56.243 54.840 0.223 0.000 0.777 353 L CB -0.367 41.823 42.059 0.219 0.000 0.910 353 L HN 0.354 nan 8.230 nan 0.000 0.440 354 L N -0.877 120.404 121.223 0.096 0.000 2.529 354 L HA 0.150 4.490 4.340 -0.000 0.000 0.223 354 L C 1.442 178.273 176.870 -0.064 0.000 1.113 354 L CA 0.481 55.349 54.840 0.046 0.000 0.861 354 L CB -0.192 41.905 42.059 0.064 0.000 1.012 354 L HN 0.414 nan 8.230 nan 0.000 0.461 355 G N 1.415 110.057 108.800 -0.263 0.000 2.176 355 G HA2 -0.330 3.629 3.960 -0.000 0.000 0.252 355 G HA3 -0.330 3.629 3.960 -0.000 0.000 0.252 355 G C 0.496 175.070 174.900 -0.544 0.000 1.024 355 G CA 0.657 45.299 45.100 -0.763 0.000 0.755 355 G HN 0.607 nan 8.290 nan 0.000 0.507 356 N N -0.968 117.593 118.700 -0.231 0.000 2.373 356 N HA 0.082 4.822 4.740 -0.000 0.000 0.181 356 N C 0.663 176.278 175.510 0.174 0.000 1.082 356 N CA -0.109 52.952 53.050 0.020 0.000 0.885 356 N CB -0.033 38.524 38.487 0.117 0.000 0.977 356 N HN 0.494 nan 8.380 nan 0.000 0.462 357 Y N 1.432 121.735 120.300 0.005 0.000 2.537 357 Y HA 0.370 4.920 4.550 -0.000 0.000 0.339 357 Y C 1.439 177.373 175.900 0.057 0.000 1.066 357 Y CA 0.966 59.064 58.100 -0.003 0.000 1.357 357 Y CB 0.000 38.344 38.460 -0.193 0.000 1.175 357 Y HN 0.384 nan 8.280 nan 0.000 0.525 358 G N 4.496 113.204 108.800 -0.155 0.000 2.157 358 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.248 358 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.248 358 G C -0.011 175.082 174.900 0.322 0.000 0.979 358 G CA -0.290 44.819 45.100 0.017 0.000 0.650 358 G HN 0.529 nan 8.290 nan 0.000 0.529 359 R N -0.028 120.646 120.500 0.291 0.000 2.711 359 R HA 0.498 4.838 4.340 -0.000 0.000 0.284 359 R C -2.914 173.479 176.300 0.155 0.000 0.968 359 R CA -2.160 54.066 56.100 0.211 0.000 0.924 359 R CB 1.624 31.989 30.300 0.108 0.000 1.162 359 R HN -0.010 nan 8.270 nan 0.000 0.465 360 P HA 0.115 nan 4.420 nan 0.000 0.271 360 P C 0.397 177.676 177.300 -0.035 0.000 1.233 360 P CA 0.575 63.548 63.100 -0.210 0.000 0.764 360 P CB 0.782 32.152 31.700 -0.549 0.000 0.825 361 G N 2.717 111.547 108.800 0.051 0.000 4.205 361 G HA2 0.021 3.981 3.960 -0.000 0.000 0.200 361 G HA3 0.021 3.981 3.960 -0.000 0.000 0.200 361 G C 0.635 175.508 174.900 -0.044 0.000 1.190 361 G CA 0.332 45.441 45.100 0.014 0.000 0.861 361 G HN 0.634 nan 8.290 nan 0.000 0.326 362 G N -0.675 108.078 108.800 -0.079 0.000 3.155 362 G HA2 0.447 4.407 3.960 -0.000 0.000 0.193 362 G HA3 0.447 4.407 3.960 -0.000 0.000 0.193 362 G C -0.398 174.134 174.900 -0.612 0.000 1.215 362 G CA -0.023 44.856 45.100 -0.368 0.000 0.917 362 G HN 0.406 nan 8.290 nan 0.000 0.756 363 F N 1.854 121.674 119.950 -0.217 0.000 2.902 363 F HA 0.279 4.806 4.527 -0.000 0.000 0.368 363 F C 0.938 176.488 175.800 -0.416 0.000 1.202 363 F CA -1.345 56.366 58.000 -0.481 0.000 1.109 363 F CB 1.219 39.849 39.000 -0.617 0.000 1.418 363 F HN 0.173 nan 8.300 nan 0.000 0.527 364 Y N 1.826 122.024 120.300 -0.171 0.000 2.352 364 Y HA 0.227 4.777 4.550 -0.000 0.000 0.292 364 Y C 0.613 176.227 175.900 -0.477 0.000 1.136 364 Y CA -0.486 57.351 58.100 -0.438 0.000 1.227 364 Y CB -0.293 37.728 38.460 -0.732 0.000 0.991 364 Y HN 0.255 nan 8.280 nan 0.000 0.545 365 I N -0.086 120.396 120.570 -0.146 0.000 6.880 365 I HA -0.072 4.098 4.170 -0.000 0.000 0.144 365 I C -0.583 175.577 176.117 0.072 0.000 1.832 365 I CA -0.319 60.901 61.300 -0.134 0.000 2.037 365 I CB -1.589 36.372 38.000 -0.065 0.000 3.559 365 I HN 0.404 nan 8.210 nan 0.000 0.169 366 A N 7.478 130.333 122.820 0.058 0.000 2.253 366 A HA 0.706 5.026 4.320 -0.000 0.000 0.316 366 A C 0.129 177.761 177.584 0.081 0.000 1.327 366 A CA -0.472 51.630 52.037 0.108 0.000 0.917 366 A CB 1.032 20.103 19.000 0.118 0.000 1.162 366 A HN 0.495 nan 8.150 nan 0.000 0.535 367 Q N 0.994 120.838 119.800 0.075 0.000 2.274 367 Q HA 0.385 4.725 4.340 -0.000 0.000 0.260 367 Q C -0.063 175.958 176.000 0.035 0.000 0.974 367 Q CA -0.183 55.669 55.803 0.082 0.000 0.876 367 Q CB 1.966 30.765 28.738 0.102 0.000 1.297 367 Q HN 0.704 nan 8.270 nan 0.000 0.446 368 S N 3.177 118.895 115.700 0.030 0.000 2.564 368 S HA 0.366 4.836 4.470 -0.000 0.000 0.278 368 S C -2.047 172.547 174.600 -0.010 0.000 1.333 368 S CA -0.911 57.285 58.200 -0.008 0.000 1.048 368 S CB 0.404 63.604 63.200 0.000 0.000 0.900 368 S HN 0.334 nan 8.310 nan 0.000 0.505 369 P HA 0.121 nan 4.420 nan 0.000 0.274 369 P C -1.324 175.974 177.300 -0.004 0.000 1.246 369 P CA -0.361 62.719 63.100 -0.034 0.000 0.795 369 P CB 0.290 31.937 31.700 -0.088 0.000 1.006 370 Y N 1.874 122.123 120.300 -0.086 0.000 2.404 370 Y HA 0.512 5.062 4.550 -0.000 0.000 0.344 370 Y C -0.913 174.910 175.900 -0.127 0.000 0.970 370 Y CA -0.513 57.532 58.100 -0.092 0.000 1.180 370 Y CB 0.184 38.598 38.460 -0.076 0.000 1.138 370 Y HN 0.215 nan 8.280 nan 0.000 0.510 371 L N 7.237 127.982 121.223 -0.796 0.000 2.528 371 L HA 0.306 4.646 4.340 -0.000 0.000 0.267 371 L C -1.025 175.407 176.870 -0.730 0.000 0.961 371 L CA -0.669 53.712 54.840 -0.766 0.000 0.866 371 L CB 1.860 43.597 42.059 -0.537 0.000 1.248 371 L HN 0.756 nan 8.230 nan 0.000 0.404 372 E N 4.925 124.659 120.200 -0.776 0.000 2.316 372 E HA 0.188 4.538 4.350 -0.000 0.000 0.275 372 E C -0.549 175.885 176.600 -0.277 0.000 1.029 372 E CA -0.390 55.743 56.400 -0.444 0.000 0.871 372 E CB 1.068 30.580 29.700 -0.313 0.000 1.022 372 E HN 0.425 nan 8.360 nan 0.000 0.418 373 K N 2.778 123.083 120.400 -0.159 0.000 2.397 373 K HA -0.059 4.261 4.320 -0.000 0.000 0.265 373 K C -0.466 176.086 176.600 -0.080 0.000 0.982 373 K CA -0.036 56.198 56.287 -0.088 0.000 0.931 373 K CB 0.276 32.782 32.500 0.010 0.000 0.943 373 K HN 0.508 nan 8.250 nan 0.000 0.501 374 Y N 2.730 122.912 120.300 -0.197 0.000 2.402 374 Y HA 0.116 4.666 4.550 -0.000 0.000 0.333 374 Y C -1.973 173.910 175.900 -0.027 0.000 1.076 374 Y CA -2.149 55.815 58.100 -0.227 0.000 1.299 374 Y CB 0.544 38.735 38.460 -0.449 0.000 1.197 374 Y HN 0.398 nan 8.280 nan 0.000 0.517 375 P HA 0.139 nan 4.420 nan 0.000 0.261 375 P C -1.221 176.174 177.300 0.158 0.000 1.203 375 P CA 0.665 63.744 63.100 -0.034 0.000 0.767 375 P CB 0.270 31.874 31.700 -0.161 0.000 0.785 376 L N 4.043 125.378 121.223 0.188 0.000 2.568 376 L HA 0.531 4.871 4.340 -0.000 0.000 0.257 376 L C -2.330 174.624 176.870 0.139 0.000 1.024 376 L CA -2.396 52.573 54.840 0.214 0.000 0.854 376 L CB 1.758 44.045 42.059 0.380 0.000 1.460 376 L HN 0.133 nan 8.230 nan 0.000 0.409 377 P HA 0.285 nan 4.420 nan 0.000 0.272 377 P C -2.550 174.865 177.300 0.191 0.000 1.223 377 P CA -0.987 62.136 63.100 0.039 0.000 0.784 377 P CB -0.285 31.334 31.700 -0.135 0.000 0.923 378 P HA 0.029 nan 4.420 nan 0.000 0.268 378 P C -0.467 176.962 177.300 0.215 0.000 1.208 378 P CA 0.010 63.202 63.100 0.154 0.000 0.777 378 P CB 0.260 32.015 31.700 0.091 0.000 0.875 379 L N 5.030 126.300 121.223 0.078 0.000 2.371 379 L HA 0.187 4.527 4.340 -0.000 0.000 0.272 379 L C -1.136 175.682 176.870 -0.086 0.000 1.124 379 L CA -1.801 52.963 54.840 -0.128 0.000 0.816 379 L CB -0.349 41.541 42.059 -0.282 0.000 1.129 379 L HN 0.362 nan 8.230 nan 0.000 0.448 380 P HA -0.160 nan 4.420 nan 0.000 0.217 380 P C -0.202 177.061 177.300 -0.062 0.000 1.162 380 P CA 1.483 64.542 63.100 -0.068 0.000 0.901 380 P CB 0.147 31.784 31.700 -0.105 0.000 0.793 381 L N -1.256 119.912 121.223 -0.092 0.000 2.307 381 L HA 0.422 4.762 4.340 -0.000 0.000 0.284 381 L C 0.353 177.197 176.870 -0.043 0.000 1.023 381 L CA -0.711 54.100 54.840 -0.049 0.000 0.810 381 L CB 1.656 43.693 42.059 -0.038 0.000 1.231 381 L HN -0.230 nan 8.230 nan 0.000 0.423 382 E N 3.036 123.235 120.200 -0.003 0.000 2.222 382 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 382 E C -2.239 174.382 176.600 0.036 0.000 0.963 382 E CA -1.413 54.995 56.400 0.013 0.000 0.837 382 E CB 1.236 30.951 29.700 0.025 0.000 1.183 382 E HN 0.369 nan 8.360 nan 0.000 0.403 383 P HA 0.465 nan 4.420 nan 0.000 0.278 383 P C -1.643 175.689 177.300 0.052 0.000 1.258 383 P CA -0.776 62.356 63.100 0.053 0.000 0.811 383 P CB 1.277 33.009 31.700 0.052 0.000 1.063 384 A N 0.712 123.562 122.820 0.050 0.000 2.586 384 A HA 0.562 4.882 4.320 -0.000 0.000 0.320 384 A C 0.474 178.086 177.584 0.046 0.000 1.281 384 A CA -0.548 51.514 52.037 0.042 0.000 0.775 384 A CB 0.014 19.028 19.000 0.024 0.000 1.122 384 A HN 0.570 nan 8.150 nan 0.000 0.470 385 A N 2.327 125.179 122.820 0.053 0.000 2.900 385 A HA 0.471 4.791 4.320 -0.000 0.000 0.246 385 A C 1.146 178.772 177.584 0.070 0.000 1.725 385 A CA 0.457 52.530 52.037 0.059 0.000 1.400 385 A CB -1.141 17.895 19.000 0.060 0.000 0.973 385 A HN 1.388 nan 8.150 nan 0.000 0.635 386 G N -1.140 107.701 108.800 0.069 0.000 2.760 386 G HA2 0.383 4.343 3.960 -0.000 0.000 0.236 386 G HA3 0.383 4.343 3.960 -0.000 0.000 0.236 386 G C 0.894 175.866 174.900 0.121 0.000 1.243 386 G CA 0.345 45.498 45.100 0.088 0.000 0.850 386 G HN 1.227 nan 8.290 nan 0.000 0.595 387 G N -1.686 107.200 108.800 0.144 0.000 4.242 387 G HA2 0.247 4.207 3.960 -0.000 0.000 0.159 387 G HA3 0.247 4.207 3.960 -0.000 0.000 0.159 387 G C 0.274 175.244 174.900 0.116 0.000 0.921 387 G CA 0.915 46.106 45.100 0.152 0.000 0.910 387 G HN 1.529 nan 8.290 nan 0.000 0.419 388 C N -0.486 118.972 119.300 0.263 0.000 3.336 388 C HA 0.766 5.226 4.460 -0.000 0.000 0.352 388 C C 1.355 176.483 174.990 0.230 0.000 1.567 388 C CA 0.146 59.421 59.018 0.429 0.000 1.328 388 C CB 1.041 28.963 27.740 0.303 0.000 1.922 388 C HN 1.763 nan 8.230 nan 0.000 0.439 389 S N -0.710 115.059 115.700 0.115 0.000 3.311 389 S HA 0.148 4.618 4.470 -0.000 0.000 0.373 389 S C 0.977 175.603 174.600 0.043 0.000 0.945 389 S CA 1.346 59.569 58.200 0.039 0.000 1.238 389 S CB -2.157 61.055 63.200 0.021 0.000 0.893 389 S HN 3.220 nan 8.310 nan 0.000 0.478 390 G N 1.014 109.851 108.800 0.062 0.000 2.467 390 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.242 390 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.242 390 G C -1.134 173.768 174.900 0.003 0.000 1.127 390 G CA -0.218 44.893 45.100 0.020 0.000 0.924 390 G HN 0.832 nan 8.290 nan 0.000 0.499 391 P HA 0.278 nan 4.420 nan 0.000 0.259 391 P C 1.040 178.289 177.300 -0.086 0.000 1.530 391 P CA 0.602 63.697 63.100 -0.007 0.000 1.022 391 P CB 1.017 32.751 31.700 0.056 0.000 1.514 392 S N 0.693 116.301 115.700 -0.153 0.000 2.349 392 S HA 0.300 4.770 4.470 -0.000 0.000 0.167 392 S C 1.571 176.018 174.600 -0.256 0.000 1.027 392 S CA 1.003 59.061 58.200 -0.237 0.000 1.284 392 S CB -0.795 62.218 63.200 -0.311 0.000 0.774 392 S HN 0.180 nan 8.310 nan 0.000 0.448 393 G N -0.517 108.163 108.800 -0.199 0.000 3.774 393 G HA2 0.423 4.383 3.960 -0.000 0.000 0.287 393 G HA3 0.423 4.383 3.960 -0.000 0.000 0.287 393 G C 0.981 175.852 174.900 -0.047 0.000 1.030 393 G CA 0.459 45.464 45.100 -0.159 0.000 0.824 393 G HN 0.670 nan 8.290 nan 0.000 0.518 394 G N 1.884 110.652 108.800 -0.052 0.000 2.469 394 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 394 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 394 G C 1.300 176.209 174.900 0.014 0.000 1.150 394 G CA 1.546 46.635 45.100 -0.018 0.000 0.763 394 G HN 0.475 nan 8.290 nan 0.000 0.561 395 D N -0.884 119.546 120.400 0.049 0.000 2.355 395 D HA 0.052 4.692 4.640 -0.000 0.000 0.218 395 D C 1.609 177.994 176.300 0.142 0.000 1.004 395 D CA 0.567 54.620 54.000 0.090 0.000 0.880 395 D CB -0.377 40.487 40.800 0.107 0.000 0.911 395 D HN 0.357 nan 8.370 nan 0.000 0.528 396 H N -0.172 118.873 119.070 -0.042 0.000 2.547 396 H HA 0.234 4.790 4.556 -0.000 0.000 0.272 396 H C 1.677 176.972 175.328 -0.056 0.000 0.971 396 H CA 0.669 56.693 56.048 -0.041 0.000 1.245 396 H CB 0.425 30.171 29.762 -0.027 0.000 1.440 396 H HN 0.225 nan 8.280 nan 0.000 0.540 397 E N -0.102 120.122 120.200 0.040 0.000 2.011 397 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 397 E C -0.482 176.078 176.600 -0.068 0.000 0.979 397 E CA 0.766 57.157 56.400 -0.014 0.000 0.822 397 E CB -0.120 29.574 29.700 -0.010 0.000 0.782 397 E HN 0.314 nan 8.360 nan 0.000 0.459 398 P HA 0.065 nan 4.420 nan 0.000 0.223 398 P C -0.902 176.294 177.300 -0.174 0.000 1.148 398 P CA 0.167 63.192 63.100 -0.125 0.000 0.870 398 P CB 0.280 31.926 31.700 -0.089 0.000 0.859 399 E N 1.925 122.056 120.200 -0.115 0.000 3.024 399 E HA 0.078 4.428 4.350 -0.000 0.000 0.224 399 E C 1.340 177.842 176.600 -0.163 0.000 1.135 399 E CA 1.420 57.758 56.400 -0.103 0.000 0.934 399 E CB -1.200 28.478 29.700 -0.038 0.000 0.977 399 E HN 0.312 nan 8.360 nan 0.000 0.537 400 G N 2.865 111.528 108.800 -0.227 0.000 2.582 400 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.288 400 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.288 400 G C 0.463 175.051 174.900 -0.520 0.000 1.247 400 G CA 0.368 45.301 45.100 -0.278 0.000 0.972 400 G HN 0.485 nan 8.290 nan 0.000 0.557 401 F N 0.754 120.646 119.950 -0.096 0.000 2.602 401 F HA 0.406 4.933 4.527 -0.000 0.000 0.284 401 F C 1.441 177.150 175.800 -0.151 0.000 1.111 401 F CA 1.142 59.076 58.000 -0.111 0.000 1.405 401 F CB 0.519 39.455 39.000 -0.106 0.000 1.121 401 F HN 0.138 nan 8.300 nan 0.000 0.603 402 K N 1.419 121.780 120.400 -0.064 0.000 2.729 402 K HA 0.227 4.547 4.320 -0.000 0.000 0.269 402 K C -2.816 173.634 176.600 -0.251 0.000 1.065 402 K CA -1.585 54.582 56.287 -0.199 0.000 1.000 402 K CB 2.031 34.323 32.500 -0.346 0.000 1.283 402 K HN -0.215 nan 8.250 nan 0.000 0.491 403 P HA -0.032 nan 4.420 nan 0.000 0.268 403 P C -0.442 176.884 177.300 0.044 0.000 1.208 403 P CA -0.225 62.712 63.100 -0.270 0.000 0.777 403 P CB 0.485 32.201 31.700 0.027 0.000 0.875 404 R N 1.520 122.110 120.500 0.149 0.000 2.523 404 R HA 0.054 4.394 4.340 -0.000 0.000 0.281 404 R C 0.831 177.305 176.300 0.289 0.000 0.969 404 R CA 0.328 56.594 56.100 0.277 0.000 1.093 404 R CB -0.542 29.943 30.300 0.309 0.000 0.917 404 R HN 0.481 nan 8.270 nan 0.000 0.408 405 A N 2.781 125.784 122.820 0.305 0.000 2.259 405 A HA -0.148 4.172 4.320 -0.000 0.000 0.212 405 A C 0.758 178.389 177.584 0.079 0.000 1.178 405 A CA 1.299 53.435 52.037 0.165 0.000 0.734 405 A CB -0.389 18.520 19.000 -0.151 0.000 0.774 405 A HN 0.924 nan 8.150 nan 0.000 0.481 406 D N -1.424 119.028 120.400 0.087 0.000 2.501 406 D HA 0.045 4.685 4.640 -0.000 0.000 0.224 406 D C 1.090 177.301 176.300 -0.148 0.000 1.202 406 D CA 0.091 54.105 54.000 0.024 0.000 0.829 406 D CB -0.132 40.748 40.800 0.132 0.000 1.023 406 D HN 0.213 nan 8.370 nan 0.000 0.499 407 K N 1.406 121.765 120.400 -0.069 0.000 2.173 407 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 407 K C 1.666 178.140 176.600 -0.210 0.000 1.046 407 K CA 1.968 58.183 56.287 -0.121 0.000 0.929 407 K CB -0.640 31.888 32.500 0.047 0.000 0.720 407 K HN 0.186 nan 8.250 nan 0.000 0.453 408 G N -0.700 108.010 108.800 -0.150 0.000 3.277 408 G HA2 0.040 4.000 3.960 -0.000 0.000 0.243 408 G HA3 0.040 4.000 3.960 -0.000 0.000 0.243 408 G C 0.705 175.517 174.900 -0.147 0.000 1.107 408 G CA -0.326 44.692 45.100 -0.136 0.000 0.771 408 G HN 0.251 nan 8.290 nan 0.000 0.544 409 K N -0.339 119.919 120.400 -0.236 0.000 2.228 409 K HA 0.185 4.505 4.320 -0.000 0.000 0.202 409 K C 0.143 176.798 176.600 0.091 0.000 1.051 409 K CA 0.555 56.802 56.287 -0.066 0.000 0.960 409 K CB 0.031 32.578 32.500 0.079 0.000 0.743 409 K HN 0.523 nan 8.250 nan 0.000 0.458 410 F N -4.738 115.251 119.950 0.064 0.000 2.715 410 F HA 0.281 4.808 4.527 -0.000 0.000 0.318 410 F C 0.537 176.416 175.800 0.132 0.000 1.141 410 F CA -1.536 56.521 58.000 0.095 0.000 0.950 410 F CB 0.162 39.201 39.000 0.066 0.000 1.374 410 F HN -0.296 nan 8.300 nan 0.000 0.477 411 F N 1.832 121.943 119.950 0.268 0.000 2.084 411 F HA 0.332 4.859 4.527 -0.000 0.000 0.296 411 F C 1.618 177.556 175.800 0.229 0.000 1.111 411 F CA 1.276 59.403 58.000 0.211 0.000 1.224 411 F CB -0.534 38.627 39.000 0.269 0.000 0.991 411 F HN 0.699 nan 8.300 nan 0.000 0.471 412 A N 0.848 124.003 122.820 0.558 0.000 2.521 412 A HA 0.089 4.409 4.320 -0.000 0.000 0.237 412 A C 1.190 178.906 177.584 0.220 0.000 1.087 412 A CA 0.140 52.412 52.037 0.391 0.000 0.777 412 A CB 0.078 19.267 19.000 0.314 0.000 1.035 412 A HN 0.559 nan 8.150 nan 0.000 0.510 413 R N 0.391 120.970 120.500 0.133 0.000 2.334 413 R HA 0.082 4.422 4.340 -0.000 0.000 0.216 413 R C 0.211 176.572 176.300 0.101 0.000 0.905 413 R CA 0.646 56.771 56.100 0.042 0.000 1.064 413 R CB -1.924 28.363 30.300 -0.022 0.000 1.046 413 R HN 0.555 nan 8.270 nan 0.000 0.508 414 S N 0.431 116.235 115.700 0.174 0.000 2.572 414 S HA 0.145 4.615 4.470 -0.000 0.000 0.279 414 S C 0.080 174.804 174.600 0.207 0.000 1.341 414 S CA -0.389 57.892 58.200 0.135 0.000 1.043 414 S CB 1.106 64.340 63.200 0.056 0.000 0.887 414 S HN 0.168 nan 8.310 nan 0.000 0.516 415 T N 1.743 116.381 114.554 0.140 0.000 2.851 415 T HA 0.474 4.824 4.350 -0.000 0.000 0.298 415 T C 0.040 174.801 174.700 0.102 0.000 0.977 415 T CA -0.228 61.969 62.100 0.163 0.000 1.126 415 T CB 0.000 68.950 68.868 0.136 0.000 0.916 415 T HN 0.860 nan 8.240 nan 0.000 0.529 416 A N 5.191 128.102 122.820 0.152 0.000 2.273 416 A HA 0.427 4.747 4.320 -0.000 0.000 0.320 416 A C 1.402 178.931 177.584 -0.091 0.000 1.358 416 A CA -0.623 51.398 52.037 -0.026 0.000 0.910 416 A CB -0.061 18.891 19.000 -0.081 0.000 1.159 416 A HN 1.046 nan 8.150 nan 0.000 0.526 417 I N 2.033 122.450 120.570 -0.255 0.000 2.236 417 I HA -0.409 3.761 4.170 -0.000 0.000 0.249 417 I C 2.425 178.304 176.117 -0.397 0.000 1.102 417 I CA 2.515 63.511 61.300 -0.506 0.000 1.365 417 I CB 0.182 37.749 38.000 -0.722 0.000 1.051 417 I HN 0.905 nan 8.210 nan 0.000 0.420 418 Q N -0.322 119.303 119.800 -0.292 0.000 2.378 418 Q HA -0.103 4.237 4.340 -0.000 0.000 0.205 418 Q C 1.656 177.620 176.000 -0.061 0.000 0.954 418 Q CA 0.985 56.651 55.803 -0.229 0.000 0.901 418 Q CB -0.264 28.234 28.738 -0.400 0.000 0.981 418 Q HN 0.443 nan 8.270 nan 0.000 0.483 419 E N 0.789 120.995 120.200 0.010 0.000 2.276 419 E HA 0.088 4.438 4.350 -0.000 0.000 0.193 419 E C 1.485 178.146 176.600 0.102 0.000 0.983 419 E CA 0.426 56.891 56.400 0.108 0.000 0.861 419 E CB 0.201 30.025 29.700 0.206 0.000 0.817 419 E HN 0.444 nan 8.360 nan 0.000 0.485 420 L N 0.855 122.149 121.223 0.118 0.000 2.627 420 L HA 0.121 4.461 4.340 -0.000 0.000 0.233 420 L C 1.924 178.881 176.870 0.145 0.000 1.144 420 L CA 0.150 55.077 54.840 0.144 0.000 0.892 420 L CB -0.184 42.030 42.059 0.257 0.000 1.039 420 L HN 0.007 nan 8.230 nan 0.000 0.442 421 I N -0.518 120.129 120.570 0.127 0.000 3.035 421 I HA -0.098 4.072 4.170 -0.000 0.000 0.271 421 I C 2.372 178.509 176.117 0.033 0.000 1.190 421 I CA 0.681 62.039 61.300 0.096 0.000 1.472 421 I CB -0.065 37.986 38.000 0.086 0.000 1.116 421 I HN 0.407 nan 8.210 nan 0.000 0.443 422 E N 2.136 122.354 120.200 0.030 0.000 2.046 422 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 422 E C -0.674 175.911 176.600 -0.025 0.000 0.982 422 E CA 1.024 57.430 56.400 0.010 0.000 0.800 422 E CB -0.549 29.165 29.700 0.023 0.000 0.756 422 E HN 0.202 nan 8.360 nan 0.000 0.449 423 P HA -0.174 nan 4.420 nan 0.000 0.218 423 P C 1.063 178.296 177.300 -0.111 0.000 1.146 423 P CA 1.597 64.622 63.100 -0.126 0.000 0.820 423 P CB -0.100 31.468 31.700 -0.220 0.000 0.778 424 M N -2.921 116.632 119.600 -0.078 0.000 2.506 424 M HA 0.016 4.496 4.480 -0.000 0.000 0.260 424 M C 1.708 177.980 176.300 -0.047 0.000 1.104 424 M CA 1.196 56.451 55.300 -0.074 0.000 1.112 424 M CB -0.288 32.268 32.600 -0.073 0.000 1.401 424 M HN -0.076 nan 8.290 nan 0.000 0.473 425 I N -0.685 119.867 120.570 -0.031 0.000 2.681 425 I HA -0.095 4.075 4.170 -0.000 0.000 0.247 425 I C 2.553 178.664 176.117 -0.010 0.000 1.091 425 I CA 1.310 62.602 61.300 -0.014 0.000 1.442 425 I CB -0.350 37.647 38.000 -0.005 0.000 1.219 425 I HN 0.272 nan 8.210 nan 0.000 0.451 426 T N -1.972 112.574 114.554 -0.013 0.000 3.054 426 T HA 0.215 4.565 4.350 -0.000 0.000 0.259 426 T C 1.690 176.386 174.700 -0.006 0.000 1.092 426 T CA 0.579 62.676 62.100 -0.006 0.000 1.121 426 T CB 0.255 69.120 68.868 -0.004 0.000 0.912 426 T HN 0.520 nan 8.240 nan 0.000 0.489 427 G N 1.092 109.876 108.800 -0.026 0.000 2.148 427 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 427 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 427 G C 0.191 175.080 174.900 -0.019 0.000 0.981 427 G CA 0.494 45.581 45.100 -0.022 0.000 0.670 427 G HN 0.651 nan 8.290 nan 0.000 0.528 428 E N 1.358 121.540 120.200 -0.030 0.000 4.442 428 E HA 0.148 4.498 4.350 -0.000 0.000 0.560 428 E C -1.365 175.213 176.600 -0.037 0.000 1.511 428 E CA -0.098 56.293 56.400 -0.016 0.000 3.706 428 E CB -0.450 29.244 29.700 -0.010 0.000 1.276 428 E HN 0.241 nan 8.360 nan 0.000 0.419 429 P HA -0.241 nan 4.420 nan 0.000 0.044 429 P C -0.531 176.732 177.300 -0.062 0.000 0.521 429 P CA 1.427 64.543 63.100 0.027 0.000 1.057 429 P CB -1.586 30.106 31.700 -0.012 0.000 1.807 430 Y N -1.451 118.882 120.300 0.056 0.000 2.924 430 Y HA -0.249 4.301 4.550 -0.000 0.000 0.464 430 Y C -2.945 172.988 175.900 0.054 0.000 1.215 430 Y CA -0.277 57.866 58.100 0.071 0.000 2.434 430 Y CB -2.253 36.255 38.460 0.080 0.000 1.252 430 Y HN 0.258 nan 8.280 nan 0.000 0.636 431 P HA 0.628 nan 4.420 nan 0.000 0.328 431 P C -1.426 175.828 177.300 -0.077 0.000 1.512 431 P CA -0.542 62.540 63.100 -0.030 0.000 1.268 431 P CB 2.438 34.106 31.700 -0.052 0.000 1.766 432 I N 2.761 123.237 120.570 -0.156 0.000 2.359 432 I HA 0.328 4.498 4.170 -0.000 0.000 0.284 432 I C 0.427 176.442 176.117 -0.170 0.000 1.018 432 I CA -0.434 60.793 61.300 -0.122 0.000 1.173 432 I CB 0.766 38.700 38.000 -0.110 0.000 1.326 432 I HN 0.002 nan 8.210 nan 0.000 0.462 433 K N 4.157 124.423 120.400 -0.223 0.000 2.168 433 K HA 0.695 5.015 4.320 -0.000 0.000 0.239 433 K C 0.114 176.640 176.600 -0.124 0.000 0.999 433 K CA -0.698 55.466 56.287 -0.204 0.000 0.900 433 K CB 1.519 33.821 32.500 -0.330 0.000 1.111 433 K HN 0.698 nan 8.250 nan 0.000 0.452 434 G N 0.589 109.338 108.800 -0.085 0.000 3.255 434 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.673 434 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.673 434 G C -1.137 173.673 174.900 -0.150 0.000 0.995 434 G CA -0.349 44.700 45.100 -0.086 0.000 0.988 434 G HN 0.472 nan 8.290 nan 0.000 0.540 435 L N 2.357 123.495 121.223 -0.141 0.000 2.513 435 L HA 0.881 5.221 4.340 -0.000 0.000 0.261 435 L C -1.264 175.555 176.870 -0.086 0.000 0.945 435 L CA -1.114 53.606 54.840 -0.199 0.000 0.848 435 L CB 1.675 43.564 42.059 -0.285 0.000 1.334 435 L HN 0.516 nan 8.230 nan 0.000 0.407 436 F N 3.541 123.332 119.950 -0.264 0.000 2.443 436 F HA 0.801 5.328 4.527 -0.000 0.000 0.335 436 F C 0.405 176.249 175.800 0.073 0.000 1.104 436 F CA -0.127 57.841 58.000 -0.053 0.000 1.013 436 F CB 2.248 41.257 39.000 0.015 0.000 1.136 436 F HN 0.618 nan 8.300 nan 0.000 0.470 437 A N 3.954 126.955 122.820 0.301 0.000 2.483 437 A HA 0.395 4.715 4.320 -0.000 0.000 0.308 437 A C -1.871 175.870 177.584 0.260 0.000 1.291 437 A CA -0.474 51.751 52.037 0.313 0.000 0.774 437 A CB -0.234 18.981 19.000 0.359 0.000 1.134 437 A HN 0.644 nan 8.150 nan 0.000 0.471 438 Y N 2.420 122.841 120.300 0.202 0.000 2.477 438 Y HA 0.430 4.980 4.550 -0.000 0.000 0.349 438 Y C 1.136 177.125 175.900 0.149 0.000 0.977 438 Y CA 0.228 58.374 58.100 0.077 0.000 1.214 438 Y CB 0.617 39.091 38.460 0.024 0.000 1.124 438 Y HN 1.253 nan 8.280 nan 0.000 0.521 439 G N 6.924 115.461 108.800 -0.439 0.000 2.412 439 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.297 439 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.297 439 G C -0.482 174.430 174.900 0.021 0.000 0.965 439 G CA 0.614 45.565 45.100 -0.248 0.000 1.134 439 G HN 0.693 nan 8.290 nan 0.000 0.511 440 I N -0.267 120.336 120.570 0.055 0.000 2.571 440 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 440 I C -0.416 175.590 176.117 -0.185 0.000 1.115 440 I CA -1.129 60.191 61.300 0.034 0.000 1.045 440 I CB 1.624 39.673 38.000 0.082 0.000 1.238 440 I HN 0.148 nan 8.210 nan 0.000 0.424 441 N N 6.982 125.573 118.700 -0.182 0.000 2.549 441 N HA 0.211 4.951 4.740 -0.000 0.000 0.267 441 N C 1.344 176.613 175.510 -0.401 0.000 1.182 441 N CA -0.263 52.581 53.050 -0.344 0.000 1.019 441 N CB 0.470 38.941 38.487 -0.028 0.000 1.380 441 N HN 0.594 nan 8.380 nan 0.000 0.505 442 L N 1.837 122.604 121.223 -0.759 0.000 2.043 442 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 442 L C 1.207 178.008 176.870 -0.116 0.000 1.075 442 L CA 1.539 56.134 54.840 -0.408 0.000 0.752 442 L CB -0.379 41.391 42.059 -0.482 0.000 0.891 442 L HN 0.658 nan 8.230 nan 0.000 0.432 443 F N -2.293 117.558 119.950 -0.166 0.000 2.789 443 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 443 F C 2.156 177.791 175.800 -0.275 0.000 1.132 443 F CA -0.108 57.761 58.000 -0.218 0.000 1.404 443 F CB 0.054 38.983 39.000 -0.118 0.000 1.114 443 F HN 0.211 nan 8.300 nan 0.000 0.584 444 H N -2.139 116.955 119.070 0.040 0.000 3.017 444 H HA 0.186 4.742 4.556 -0.000 0.000 0.255 444 H C 1.585 176.928 175.328 0.024 0.000 0.990 444 H CA 0.459 56.547 56.048 0.066 0.000 1.205 444 H CB 0.652 30.460 29.762 0.077 0.000 1.460 444 H HN 0.052 nan 8.280 nan 0.000 0.478 445 S N 0.597 116.308 115.700 0.018 0.000 2.511 445 S HA 0.233 4.702 4.470 -0.000 0.000 0.214 445 S C 0.707 175.189 174.600 -0.197 0.000 0.997 445 S CA 0.069 58.200 58.200 -0.115 0.000 0.908 445 S CB 0.771 63.891 63.200 -0.133 0.000 0.803 445 S HN 0.134 nan 8.310 nan 0.000 0.504 446 I N 3.430 123.888 120.570 -0.186 0.000 2.436 446 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 446 I C -2.556 173.429 176.117 -0.220 0.000 1.010 446 I CA -2.655 58.509 61.300 -0.226 0.000 1.098 446 I CB 2.228 40.111 38.000 -0.194 0.000 1.266 446 I HN -0.096 nan 8.210 nan 0.000 0.434 447 P HA 0.053 nan 4.420 nan 0.000 0.273 447 P C -0.285 176.940 177.300 -0.126 0.000 1.250 447 P CA -0.143 62.842 63.100 -0.192 0.000 0.793 447 P CB 0.473 32.073 31.700 -0.166 0.000 1.011 448 N N -0.236 118.398 118.700 -0.110 0.000 2.725 448 N HA -0.120 4.620 4.740 -0.000 0.000 0.256 448 N C 0.598 175.998 175.510 -0.183 0.000 1.087 448 N CA 0.533 53.525 53.050 -0.097 0.000 0.690 448 N CB -1.552 36.943 38.487 0.012 0.000 0.891 448 N HN 0.064 nan 8.380 nan 0.000 0.553 449 V N 0.634 120.351 119.914 -0.329 0.000 2.380 449 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 449 V C -0.455 175.407 176.094 -0.387 0.000 1.063 449 V CA 2.326 64.344 62.300 -0.471 0.000 1.055 449 V CB -0.955 30.303 31.823 -0.942 0.000 0.657 449 V HN 0.430 nan 8.190 nan 0.000 0.455 450 P HA -0.166 nan 4.420 nan 0.000 0.215 450 P C 1.780 179.007 177.300 -0.122 0.000 1.153 450 P CA 1.430 64.428 63.100 -0.170 0.000 0.853 450 P CB -0.126 31.517 31.700 -0.095 0.000 0.788 451 R N -0.516 119.926 120.500 -0.097 0.000 2.081 451 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 451 R C 1.778 178.043 176.300 -0.058 0.000 1.131 451 R CA 1.985 58.052 56.100 -0.054 0.000 0.960 451 R CB -0.889 29.397 30.300 -0.024 0.000 0.856 451 R HN 0.114 nan 8.270 nan 0.000 0.436 452 T N 1.081 115.581 114.554 -0.090 0.000 2.833 452 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 452 T C 1.527 176.178 174.700 -0.082 0.000 1.054 452 T CA 1.420 63.482 62.100 -0.064 0.000 1.135 452 T CB -0.006 68.844 68.868 -0.029 0.000 0.869 452 T HN 0.380 nan 8.240 nan 0.000 0.466 453 K N 0.865 121.158 120.400 -0.178 0.000 2.155 453 K HA 0.018 4.338 4.320 -0.000 0.000 0.203 453 K C 2.370 179.028 176.600 0.097 0.000 1.052 453 K CA 0.706 56.888 56.287 -0.175 0.000 0.948 453 K CB -0.026 32.267 32.500 -0.345 0.000 0.728 453 K HN 0.389 nan 8.250 nan 0.000 0.448 454 E N 0.953 121.176 120.200 0.039 0.000 2.051 454 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 454 E C 2.082 178.714 176.600 0.052 0.000 0.991 454 E CA 1.048 57.483 56.400 0.058 0.000 0.799 454 E CB -0.033 29.680 29.700 0.021 0.000 0.748 454 E HN 0.297 nan 8.360 nan 0.000 0.449 455 A N 1.042 123.872 122.820 0.016 0.000 1.940 455 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 455 A C 2.170 179.749 177.584 -0.008 0.000 1.176 455 A CA 1.079 53.112 52.037 -0.007 0.000 0.631 455 A CB -0.594 18.390 19.000 -0.027 0.000 0.814 455 A HN 0.191 nan 8.150 nan 0.000 0.446 456 L N -1.504 119.731 121.223 0.020 0.000 2.156 456 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 456 L C 2.486 179.447 176.870 0.151 0.000 1.095 456 L CA 1.264 56.130 54.840 0.043 0.000 0.770 456 L CB -0.449 41.681 42.059 0.118 0.000 0.914 456 L HN 0.170 nan 8.230 nan 0.000 0.439 457 K N 0.603 121.114 120.400 0.186 0.000 2.032 457 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 457 K C 1.848 178.493 176.600 0.074 0.000 1.048 457 K CA 1.308 57.678 56.287 0.139 0.000 0.927 457 K CB -0.355 32.221 32.500 0.126 0.000 0.712 457 K HN 0.063 nan 8.250 nan 0.000 0.441 458 N N 0.199 118.929 118.700 0.049 0.000 2.571 458 N HA -0.003 4.737 4.740 -0.000 0.000 0.189 458 N C -0.405 175.108 175.510 0.005 0.000 1.154 458 N CA 0.264 53.327 53.050 0.022 0.000 0.907 458 N CB -0.006 38.486 38.487 0.008 0.000 0.977 458 N HN 0.087 nan 8.380 nan 0.000 0.449 459 L N 0.174 121.404 121.223 0.012 0.000 2.436 459 L HA 0.099 4.439 4.340 -0.000 0.000 0.265 459 L C 1.224 178.103 176.870 0.016 0.000 1.168 459 L CA -0.420 54.418 54.840 -0.005 0.000 0.815 459 L CB 0.714 42.771 42.059 -0.003 0.000 1.109 459 L HN -0.067 nan 8.230 nan 0.000 0.462 460 D N 0.917 121.316 120.400 -0.002 0.000 2.216 460 D HA 0.122 4.762 4.640 -0.000 0.000 0.208 460 D C -0.090 176.224 176.300 0.023 0.000 0.960 460 D CA 1.019 55.031 54.000 0.020 0.000 0.861 460 D CB 0.505 41.322 40.800 0.029 0.000 0.985 460 D HN 0.138 nan 8.370 nan 0.000 0.493 461 L N 0.077 121.306 121.223 0.011 0.000 2.464 461 L HA 0.369 4.709 4.340 -0.000 0.000 0.266 461 L C -2.086 174.796 176.870 0.019 0.000 0.965 461 L CA -0.968 53.872 54.840 0.000 0.000 0.833 461 L CB 2.228 44.264 42.059 -0.039 0.000 1.296 461 L HN -0.149 nan 8.230 nan 0.000 0.405 462 Y N 5.718 125.940 120.300 -0.131 0.000 2.333 462 Y HA 0.713 5.263 4.550 -0.000 0.000 0.324 462 Y C -1.785 173.981 175.900 -0.222 0.000 1.033 462 Y CA -1.192 56.806 58.100 -0.169 0.000 1.224 462 Y CB 1.277 39.702 38.460 -0.059 0.000 1.120 462 Y HN 0.358 nan 8.280 nan 0.000 0.457 463 V N 4.893 124.435 119.914 -0.620 0.000 2.547 463 V HA 0.931 5.051 4.120 -0.000 0.000 0.299 463 V C -0.144 175.576 176.094 -0.623 0.000 1.040 463 V CA -0.459 61.391 62.300 -0.750 0.000 0.913 463 V CB 1.282 32.531 31.823 -0.957 0.000 0.992 463 V HN 0.935 nan 8.190 nan 0.000 0.449 464 A N 5.507 128.027 122.820 -0.501 0.000 2.359 464 A HA 0.861 5.181 4.320 -0.000 0.000 0.303 464 A C -0.848 176.635 177.584 -0.169 0.000 1.066 464 A CA -0.508 51.376 52.037 -0.255 0.000 0.730 464 A CB 0.899 19.732 19.000 -0.278 0.000 1.211 464 A HN 0.762 nan 8.150 nan 0.000 0.439 465 I N 2.588 123.113 120.570 -0.075 0.000 2.355 465 I HA 0.475 4.645 4.170 -0.000 0.000 0.288 465 I C -0.569 175.476 176.117 -0.120 0.000 0.999 465 I CA -0.261 61.006 61.300 -0.055 0.000 1.163 465 I CB 1.284 39.286 38.000 0.003 0.000 1.316 465 I HN 0.660 nan 8.210 nan 0.000 0.454 466 D N 3.507 123.851 120.400 -0.093 0.000 2.838 466 D HA 0.383 5.023 4.640 -0.000 0.000 0.334 466 D C -0.082 176.185 176.300 -0.055 0.000 1.315 466 D CA -0.274 53.669 54.000 -0.096 0.000 0.917 466 D CB 2.816 43.559 40.800 -0.095 0.000 1.435 466 D HN 0.172 nan 8.370 nan 0.000 0.517 467 V N -0.031 119.856 119.914 -0.045 0.000 3.219 467 V HA 0.291 4.411 4.120 -0.000 0.000 0.240 467 V C 0.647 176.712 176.094 -0.049 0.000 1.222 467 V CA 0.260 62.543 62.300 -0.028 0.000 1.181 467 V CB 0.570 32.389 31.823 -0.007 0.000 0.941 467 V HN 0.302 nan 8.190 nan 0.000 0.471 468 L N 1.752 122.943 121.223 -0.053 0.000 2.352 468 L HA 0.476 4.816 4.340 -0.000 0.000 0.269 468 L C -2.405 174.413 176.870 -0.086 0.000 1.034 468 L CA -1.745 53.059 54.840 -0.060 0.000 0.806 468 L CB 1.265 43.296 42.059 -0.046 0.000 1.244 468 L HN -0.010 nan 8.230 nan 0.000 0.447 469 P HA 0.144 nan 4.420 nan 0.000 0.232 469 P C -0.880 176.391 177.300 -0.047 0.000 1.814 469 P CA -0.361 62.679 63.100 -0.100 0.000 1.085 469 P CB 0.454 32.093 31.700 -0.101 0.000 1.901 470 Q N 0.948 120.716 119.800 -0.052 0.000 2.526 470 Q HA 0.032 4.372 4.340 -0.000 0.000 0.207 470 Q C 1.320 177.377 176.000 0.094 0.000 1.078 470 Q CA -0.052 55.781 55.803 0.049 0.000 1.041 470 Q CB 0.987 29.769 28.738 0.073 0.000 1.228 470 Q HN 0.436 nan 8.270 nan 0.000 0.603 471 E N 0.318 120.677 120.200 0.264 0.000 2.204 471 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 471 E C 1.452 178.211 176.600 0.266 0.000 0.989 471 E CA 1.217 57.843 56.400 0.377 0.000 0.824 471 E CB 0.104 30.151 29.700 0.579 0.000 0.756 471 E HN 0.666 nan 8.360 nan 0.000 0.477 472 H N -2.495 116.465 119.070 -0.184 0.000 2.553 472 H HA 0.157 4.713 4.556 -0.000 0.000 0.265 472 H C 1.587 176.853 175.328 -0.103 0.000 0.964 472 H CA 0.409 56.028 56.048 -0.714 0.000 1.156 472 H CB 0.266 29.310 29.762 -1.196 0.000 1.411 472 H HN -0.050 nan 8.280 nan 0.000 0.558 473 V N 0.749 120.235 119.914 -0.713 0.000 2.649 473 V HA -0.078 4.042 4.120 -0.000 0.000 0.248 473 V C 1.489 177.492 176.094 -0.152 0.000 1.054 473 V CA 0.977 62.993 62.300 -0.472 0.000 1.073 473 V CB -0.185 31.374 31.823 -0.441 0.000 0.699 473 V HN 0.470 nan 8.190 nan 0.000 0.463 474 M N -1.586 118.024 119.600 0.017 0.000 2.654 474 M HA 0.078 4.558 4.480 -0.000 0.000 0.217 474 M C 0.720 177.289 176.300 0.448 0.000 1.183 474 M CA 0.335 55.735 55.300 0.166 0.000 0.991 474 M CB -1.278 31.418 32.600 0.158 0.000 1.749 474 M HN 0.473 nan 8.290 nan 0.000 0.475 475 W N 0.395 121.821 121.300 0.210 0.000 2.870 475 W HA 0.494 5.154 4.660 -0.000 0.000 0.358 475 W C 0.686 177.412 176.519 0.345 0.000 1.043 475 W CA -0.628 56.910 57.345 0.322 0.000 1.692 475 W CB 0.260 29.967 29.460 0.413 0.000 1.100 475 W HN 0.093 nan 8.180 nan 0.000 0.557 476 A N 0.729 123.722 122.820 0.288 0.000 2.316 476 A HA 0.423 4.743 4.320 -0.000 0.000 0.284 476 A C -0.185 177.406 177.584 0.012 0.000 1.115 476 A CA -0.358 51.580 52.037 -0.164 0.000 0.812 476 A CB 0.370 18.974 19.000 -0.660 0.000 1.064 476 A HN 0.020 nan 8.150 nan 0.000 0.489 477 D N 1.635 121.988 120.400 -0.079 0.000 2.316 477 D HA 0.407 5.047 4.640 -0.000 0.000 0.245 477 D C -0.182 176.059 176.300 -0.098 0.000 1.171 477 D CA 0.350 54.334 54.000 -0.026 0.000 0.856 477 D CB 0.862 41.673 40.800 0.019 0.000 1.090 477 D HN 0.609 nan 8.370 nan 0.000 0.476 478 V N 1.787 121.662 119.914 -0.064 0.000 3.419 478 V HA -0.245 3.875 4.120 -0.000 0.000 0.488 478 V C -0.194 175.762 176.094 -0.230 0.000 0.682 478 V CA 0.097 62.311 62.300 -0.144 0.000 2.031 478 V CB -1.492 30.252 31.823 -0.133 0.000 2.473 478 V HN 0.551 nan 8.190 nan 0.000 0.503 479 I N 5.587 126.005 120.570 -0.254 0.000 2.406 479 I HA 0.651 4.821 4.170 -0.000 0.000 0.290 479 I C -0.076 175.877 176.117 -0.272 0.000 0.999 479 I CA -0.529 60.590 61.300 -0.301 0.000 1.124 479 I CB 1.764 39.523 38.000 -0.401 0.000 1.289 479 I HN 0.479 nan 8.210 nan 0.000 0.441 480 L N 8.232 129.338 121.223 -0.195 0.000 2.319 480 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 480 L C -2.399 174.464 176.870 -0.011 0.000 1.005 480 L CA -1.864 52.886 54.840 -0.149 0.000 0.828 480 L CB 1.523 43.628 42.059 0.076 0.000 1.227 480 L HN 0.305 nan 8.230 nan 0.000 0.415 481 P HA 0.132 nan 4.420 nan 0.000 0.280 481 P C -0.545 176.902 177.300 0.244 0.000 1.300 481 P CA -0.115 63.039 63.100 0.090 0.000 0.785 481 P CB 1.034 32.754 31.700 0.035 0.000 0.874 482 E N 2.460 122.758 120.200 0.163 0.000 2.349 482 E HA 0.446 4.796 4.350 -0.000 0.000 0.262 482 E C -0.204 176.468 176.600 0.120 0.000 1.088 482 E CA -0.750 55.751 56.400 0.168 0.000 0.899 482 E CB 1.026 30.824 29.700 0.163 0.000 1.044 482 E HN 0.465 nan 8.360 nan 0.000 0.420 483 A N 2.397 125.270 122.820 0.088 0.000 2.316 483 A HA 0.260 4.580 4.320 -0.000 0.000 0.284 483 A C 0.176 177.798 177.584 0.063 0.000 1.115 483 A CA -0.311 51.754 52.037 0.047 0.000 0.812 483 A CB 1.263 20.255 19.000 -0.014 0.000 1.064 483 A HN 0.584 nan 8.150 nan 0.000 0.489 484 T N 0.331 114.895 114.554 0.017 0.000 2.868 484 T HA 0.289 4.639 4.350 -0.000 0.000 0.292 484 T C 1.286 175.997 174.700 0.018 0.000 1.028 484 T CA 0.620 62.736 62.100 0.027 0.000 1.059 484 T CB 0.042 68.870 68.868 -0.068 0.000 0.991 484 T HN 0.659 nan 8.240 nan 0.000 0.531 485 Y N 2.405 122.697 120.300 -0.014 0.000 2.283 485 Y HA -0.095 4.455 4.550 -0.000 0.000 0.285 485 Y C 1.546 177.412 175.900 -0.057 0.000 1.176 485 Y CA 1.281 59.382 58.100 0.003 0.000 1.229 485 Y CB -0.658 37.819 38.460 0.029 0.000 0.975 485 Y HN 0.475 nan 8.280 nan 0.000 0.537 486 L N 0.392 121.188 121.223 -0.711 0.000 2.446 486 L HA 0.037 4.377 4.340 -0.000 0.000 0.219 486 L C 1.242 177.807 176.870 -0.507 0.000 1.116 486 L CA 0.755 55.196 54.840 -0.665 0.000 0.844 486 L CB -0.173 41.420 42.059 -0.776 0.000 0.970 486 L HN 0.264 nan 8.230 nan 0.000 0.457 487 E N -0.019 119.931 120.200 -0.416 0.000 2.499 487 E HA 0.157 4.507 4.350 -0.000 0.000 0.199 487 E C 0.274 176.774 176.600 -0.167 0.000 1.016 487 E CA -0.158 56.026 56.400 -0.360 0.000 0.933 487 E CB 0.605 30.137 29.700 -0.280 0.000 1.050 487 E HN 0.143 nan 8.360 nan 0.000 0.462 488 R N 0.512 120.942 120.500 -0.117 0.000 2.771 488 R HA 0.322 4.662 4.340 -0.000 0.000 0.274 488 R C -1.687 174.647 176.300 0.057 0.000 0.987 488 R CA -0.535 55.586 56.100 0.034 0.000 0.908 488 R CB 1.350 31.715 30.300 0.107 0.000 1.213 488 R HN -0.002 nan 8.270 nan 0.000 0.468 489 Y N 0.870 121.287 120.300 0.196 0.000 2.387 489 Y HA 0.355 4.904 4.550 -0.000 0.000 0.330 489 Y C 0.095 176.106 175.900 0.185 0.000 1.133 489 Y CA -0.047 58.121 58.100 0.114 0.000 1.152 489 Y CB 1.793 40.264 38.460 0.019 0.000 1.215 489 Y HN 0.489 nan 8.280 nan 0.000 0.466 490 D N 0.813 121.382 120.400 0.281 0.000 2.581 490 D HA 0.086 4.725 4.640 -0.000 0.000 0.232 490 D C -1.460 174.868 176.300 0.048 0.000 1.143 490 D CA -0.585 53.564 54.000 0.250 0.000 0.881 490 D CB 2.060 43.011 40.800 0.252 0.000 1.500 490 D HN 0.500 nan 8.370 nan 0.000 0.458 491 D N 0.277 120.731 120.400 0.090 0.000 2.419 491 D HA 0.008 4.648 4.640 -0.000 0.000 0.236 491 D C -0.036 176.216 176.300 -0.080 0.000 1.165 491 D CA 0.214 54.194 54.000 -0.033 0.000 0.882 491 D CB 0.332 41.080 40.800 -0.087 0.000 1.201 491 D HN 0.062 nan 8.370 nan 0.000 0.443 492 F N 0.754 120.687 119.950 -0.029 0.000 2.628 492 F HA 0.079 4.606 4.527 -0.000 0.000 0.346 492 F C 0.895 176.645 175.800 -0.083 0.000 1.188 492 F CA -0.215 57.759 58.000 -0.043 0.000 1.376 492 F CB 0.177 39.134 39.000 -0.072 0.000 1.104 492 F HN -0.051 nan 8.300 nan 0.000 0.616 493 V N 4.235 124.235 119.914 0.143 0.000 2.334 493 V HA 0.289 4.409 4.120 -0.000 0.000 0.281 493 V C -0.144 175.918 176.094 -0.054 0.000 1.016 493 V CA -0.699 61.614 62.300 0.023 0.000 0.832 493 V CB 0.969 32.812 31.823 0.033 0.000 0.999 493 V HN 0.452 nan 8.190 nan 0.000 0.439 494 L N 5.799 126.949 121.223 -0.122 0.000 2.289 494 L HA 0.652 4.992 4.340 -0.000 0.000 0.285 494 L C -0.561 176.123 176.870 -0.311 0.000 1.049 494 L CA -0.714 54.000 54.840 -0.210 0.000 0.804 494 L CB 1.638 43.595 42.059 -0.170 0.000 1.195 494 L HN 0.306 nan 8.230 nan 0.000 0.428 495 V N 2.441 122.031 119.914 -0.539 0.000 2.407 495 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 495 V C 0.492 176.322 176.094 -0.439 0.000 1.018 495 V CA -0.726 61.205 62.300 -0.615 0.000 0.842 495 V CB 1.539 32.675 31.823 -1.146 0.000 0.996 495 V HN 0.887 nan 8.190 nan 0.000 0.426 496 A N 4.490 127.189 122.820 -0.201 0.000 2.488 496 A HA 0.583 4.903 4.320 -0.000 0.000 0.249 496 A C -0.051 177.550 177.584 0.029 0.000 1.083 496 A CA 0.405 52.403 52.037 -0.064 0.000 0.768 496 A CB -0.001 18.991 19.000 -0.013 0.000 1.017 496 A HN 1.012 nan 8.150 nan 0.000 0.496 497 H N 0.820 119.847 119.070 -0.071 0.000 2.917 497 H HA 0.185 4.741 4.556 -0.000 0.000 0.299 497 H C 0.595 175.819 175.328 -0.174 0.000 1.418 497 H CA -0.274 55.738 56.048 -0.060 0.000 1.138 497 H CB 1.066 30.777 29.762 -0.086 0.000 1.830 497 H HN 0.693 nan 8.280 nan 0.000 0.514 498 K N 0.024 119.867 120.400 -0.928 0.000 2.034 498 K HA -0.120 4.200 4.320 -0.000 0.000 0.214 498 K C 0.458 176.893 176.600 -0.275 0.000 1.051 498 K CA 2.294 58.028 56.287 -0.921 0.000 0.931 498 K CB -0.298 31.448 32.500 -1.257 0.000 0.715 498 K HN 0.554 nan 8.250 nan 0.000 0.446 499 T N 0.519 115.116 114.554 0.071 0.000 3.154 499 T HA 0.373 4.723 4.350 -0.000 0.000 0.381 499 T C -2.774 172.048 174.700 0.202 0.000 1.368 499 T CA -2.414 59.742 62.100 0.094 0.000 1.155 499 T CB 1.356 70.254 68.868 0.050 0.000 1.120 499 T HN -0.088 nan 8.240 nan 0.000 0.570 500 P HA 0.218 nan 4.420 nan 0.000 0.264 500 P C -0.580 176.790 177.300 0.118 0.000 1.173 500 P CA 0.000 63.135 63.100 0.058 0.000 0.761 500 P CB 0.020 31.718 31.700 -0.002 0.000 0.794 501 F N 0.327 120.208 119.950 -0.116 0.000 2.643 501 F HA 0.771 5.298 4.527 -0.000 0.000 0.314 501 F C -1.200 174.541 175.800 -0.099 0.000 1.096 501 F CA -1.485 56.441 58.000 -0.123 0.000 0.953 501 F CB 1.158 40.056 39.000 -0.171 0.000 1.345 501 F HN 0.010 nan 8.300 nan 0.000 0.468 502 I N 1.895 122.524 120.570 0.099 0.000 2.465 502 I HA 0.379 4.549 4.170 -0.000 0.000 0.291 502 I C -1.102 175.119 176.117 0.174 0.000 1.014 502 I CA -0.709 60.614 61.300 0.039 0.000 1.093 502 I CB 2.128 40.097 38.000 -0.052 0.000 1.267 502 I HN 0.642 nan 8.210 nan 0.000 0.431 503 Q N 5.812 125.727 119.800 0.191 0.000 2.348 503 Q HA 0.664 5.004 4.340 -0.000 0.000 0.271 503 Q C -1.285 174.864 176.000 0.248 0.000 1.067 503 Q CA -0.956 54.979 55.803 0.220 0.000 0.839 503 Q CB 3.275 32.131 28.738 0.196 0.000 1.354 503 Q HN 0.432 nan 8.270 nan 0.000 0.447 504 L N 2.459 123.802 121.223 0.201 0.000 2.410 504 L HA 0.561 4.901 4.340 -0.000 0.000 0.270 504 L C -1.245 175.695 176.870 0.116 0.000 0.983 504 L CA -0.591 54.311 54.840 0.104 0.000 0.822 504 L CB 1.932 44.065 42.059 0.123 0.000 1.285 504 L HN 0.792 nan 8.230 nan 0.000 0.409 505 R N 2.509 123.058 120.500 0.082 0.000 2.445 505 R HA 0.714 5.054 4.340 -0.000 0.000 0.308 505 R C -1.241 175.073 176.300 0.025 0.000 0.961 505 R CA -0.464 55.691 56.100 0.092 0.000 0.862 505 R CB 1.747 32.120 30.300 0.121 0.000 1.144 505 R HN 0.525 nan 8.270 nan 0.000 0.447 506 T N 4.880 119.383 114.554 -0.086 0.000 2.856 506 T HA 0.428 4.778 4.350 -0.000 0.000 0.283 506 T C -2.557 171.902 174.700 -0.402 0.000 1.008 506 T CA -1.775 60.100 62.100 -0.375 0.000 0.997 506 T CB 1.882 70.656 68.868 -0.156 0.000 0.992 506 T HN 0.499 nan 8.240 nan 0.000 0.454 507 P HA 0.187 nan 4.420 nan 0.000 0.267 507 P C -0.093 177.055 177.300 -0.253 0.000 1.200 507 P CA -0.046 62.835 63.100 -0.366 0.000 0.772 507 P CB 0.485 31.988 31.700 -0.327 0.000 0.855 508 A N 2.468 125.139 122.820 -0.249 0.000 2.147 508 A HA 0.099 4.419 4.320 -0.000 0.000 0.211 508 A C 0.711 178.276 177.584 -0.033 0.000 1.160 508 A CA 0.942 52.890 52.037 -0.149 0.000 0.781 508 A CB -0.559 18.348 19.000 -0.155 0.000 0.842 508 A HN 0.803 nan 8.150 nan 0.000 0.475 509 H N -1.692 117.326 119.070 -0.087 0.000 2.969 509 H HA 0.302 4.858 4.556 -0.000 0.000 0.304 509 H C -1.622 173.670 175.328 -0.060 0.000 1.400 509 H CA -0.496 55.519 56.048 -0.056 0.000 1.182 509 H CB -0.003 29.741 29.762 -0.031 0.000 1.865 509 H HN 0.177 nan 8.280 nan 0.000 0.512 510 E N 1.542 121.843 120.200 0.167 0.000 2.383 510 E HA 0.319 4.669 4.350 -0.000 0.000 0.264 510 E C -2.599 174.069 176.600 0.112 0.000 1.050 510 E CA -1.701 54.746 56.400 0.078 0.000 0.896 510 E CB 0.183 29.906 29.700 0.038 0.000 0.982 510 E HN 0.271 nan 8.360 nan 0.000 0.424 511 P HA -0.121 nan 4.420 nan 0.000 0.268 511 P C -0.994 176.317 177.300 0.018 0.000 1.189 511 P CA 0.202 63.302 63.100 -0.001 0.000 0.771 511 P CB 0.291 31.958 31.700 -0.055 0.000 0.822 512 L N 3.244 124.481 121.223 0.024 0.000 2.334 512 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 512 L C 0.792 177.625 176.870 -0.062 0.000 1.020 512 L CA -0.313 54.426 54.840 -0.169 0.000 0.812 512 L CB -0.500 41.384 42.059 -0.292 0.000 1.264 512 L HN 0.533 nan 8.230 nan 0.000 0.439 513 F N -0.591 119.389 119.950 0.051 0.000 2.183 513 F HA -0.360 4.167 4.527 -0.000 0.000 0.318 513 F C 0.809 176.637 175.800 0.046 0.000 0.958 513 F CA 1.134 59.154 58.000 0.033 0.000 0.912 513 F CB -0.784 38.238 39.000 0.036 0.000 4.135 513 F HN 0.528 nan 8.300 nan 0.000 0.137 514 D N 0.727 121.319 120.400 0.321 0.000 3.123 514 D HA 0.286 4.925 4.640 -0.000 0.000 0.305 514 D C -0.664 175.862 176.300 0.376 0.000 1.373 514 D CA 0.357 54.522 54.000 0.274 0.000 0.889 514 D CB 0.151 41.076 40.800 0.208 0.000 1.070 514 D HN 0.360 nan 8.370 nan 0.000 0.494 515 T N 1.110 115.815 114.554 0.253 0.000 2.837 515 T HA 0.382 4.732 4.350 -0.000 0.000 0.285 515 T C -0.123 174.560 174.700 -0.028 0.000 0.984 515 T CA -0.495 61.730 62.100 0.210 0.000 1.049 515 T CB 1.227 70.204 68.868 0.181 0.000 0.947 515 T HN -0.106 nan 8.240 nan 0.000 0.472 516 K N 3.723 124.061 120.400 -0.103 0.000 2.371 516 K HA 0.462 4.782 4.320 -0.000 0.000 0.251 516 K C -2.699 173.727 176.600 -0.290 0.000 0.934 516 K CA -2.335 53.639 56.287 -0.522 0.000 0.798 516 K CB 2.120 33.869 32.500 -1.252 0.000 1.204 516 K HN 0.314 nan 8.250 nan 0.000 0.427 517 P HA 0.028 nan 4.420 nan 0.000 0.272 517 P C 0.705 177.893 177.300 -0.187 0.000 1.223 517 P CA -0.049 62.909 63.100 -0.236 0.000 0.784 517 P CB 0.596 32.081 31.700 -0.357 0.000 0.923 518 G N 1.583 110.435 108.800 0.087 0.000 2.422 518 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 518 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 518 G C 1.352 176.262 174.900 0.018 0.000 1.140 518 G CA 0.065 45.327 45.100 0.269 0.000 0.775 518 G HN 0.728 nan 8.290 nan 0.000 0.545 519 W N -0.366 120.833 121.300 -0.168 0.000 2.358 519 W HA -0.062 4.598 4.660 -0.000 0.000 0.303 519 W C 2.035 178.333 176.519 -0.368 0.000 1.208 519 W CA 0.612 57.532 57.345 -0.708 0.000 1.274 519 W CB -0.988 28.168 29.460 -0.508 0.000 1.138 519 W HN 0.262 nan 8.180 nan 0.000 0.515 520 W N 2.018 122.651 121.300 -1.112 0.000 2.381 520 W HA -0.081 4.579 4.660 -0.000 0.000 0.301 520 W C 2.436 178.607 176.519 -0.582 0.000 1.205 520 W CA 2.431 59.108 57.345 -1.113 0.000 1.285 520 W CB -0.644 27.876 29.460 -1.566 0.000 1.133 520 W HN -0.253 nan 8.180 nan 0.000 0.521 521 I N 0.552 121.047 120.570 -0.125 0.000 2.226 521 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 521 I C 2.608 178.654 176.117 -0.118 0.000 1.100 521 I CA 1.427 62.731 61.300 0.008 0.000 1.374 521 I CB -0.990 37.210 38.000 0.334 0.000 1.057 521 I HN 0.082 nan 8.210 nan 0.000 0.413 522 A N 0.788 123.479 122.820 -0.215 0.000 1.845 522 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 522 A C 2.427 179.485 177.584 -0.877 0.000 1.195 522 A CA 1.867 53.601 52.037 -0.505 0.000 0.616 522 A CB -0.713 17.932 19.000 -0.591 0.000 0.832 522 A HN 0.323 nan 8.150 nan 0.000 0.443 523 R N -0.491 119.402 120.500 -1.012 0.000 2.096 523 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 523 R C 1.935 177.663 176.300 -0.954 0.000 1.139 523 R CA 1.796 57.096 56.100 -1.332 0.000 0.952 523 R CB -0.239 29.597 30.300 -0.773 0.000 0.854 523 R HN 0.481 nan 8.270 nan 0.000 0.436 524 E N 0.419 120.113 120.200 -0.844 0.000 2.204 524 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 524 E C 2.007 178.355 176.600 -0.422 0.000 0.990 524 E CA 1.026 56.995 56.400 -0.718 0.000 0.821 524 E CB -0.040 29.049 29.700 -1.019 0.000 0.750 524 E HN 0.453 nan 8.360 nan 0.000 0.477 525 L N -0.457 120.547 121.223 -0.365 0.000 2.202 525 L HA 0.054 4.393 4.340 -0.000 0.000 0.205 525 L C 2.437 179.179 176.870 -0.213 0.000 1.083 525 L CA 0.839 55.570 54.840 -0.182 0.000 0.790 525 L CB -0.424 41.601 42.059 -0.057 0.000 0.942 525 L HN 0.130 nan 8.230 nan 0.000 0.452 526 G N 0.189 108.728 108.800 -0.435 0.000 2.422 526 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 526 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 526 G C 1.580 176.404 174.900 -0.127 0.000 1.146 526 G CA 0.501 45.399 45.100 -0.336 0.000 0.769 526 G HN 0.196 nan 8.290 nan 0.000 0.547 527 L N -0.614 120.473 121.223 -0.228 0.000 2.072 527 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 527 L C 3.009 179.847 176.870 -0.055 0.000 1.079 527 L CA 0.730 55.500 54.840 -0.118 0.000 0.752 527 L CB -0.352 41.600 42.059 -0.178 0.000 0.906 527 L HN 0.124 nan 8.230 nan 0.000 0.436 528 R N 0.249 120.709 120.500 -0.066 0.000 2.237 528 R HA -0.041 4.299 4.340 -0.000 0.000 0.219 528 R C 1.130 177.464 176.300 0.057 0.000 1.080 528 R CA 0.789 56.885 56.100 -0.007 0.000 0.995 528 R CB -0.024 30.269 30.300 -0.011 0.000 0.875 528 R HN 0.361 nan 8.270 nan 0.000 0.462 529 L N -1.697 119.583 121.223 0.095 0.000 3.066 529 L HA 0.437 4.777 4.340 -0.000 0.000 0.265 529 L C 0.695 177.670 176.870 0.174 0.000 1.232 529 L CA -0.140 54.820 54.840 0.200 0.000 1.031 529 L CB 0.960 43.235 42.059 0.359 0.000 1.379 529 L HN 0.152 nan 8.230 nan 0.000 0.563 530 G N 1.379 110.247 108.800 0.112 0.000 2.160 530 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.244 530 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.244 530 G C 0.253 175.229 174.900 0.127 0.000 1.022 530 G CA 0.343 45.497 45.100 0.091 0.000 0.741 530 G HN 0.386 nan 8.290 nan 0.000 0.508 531 L N 0.137 121.470 121.223 0.183 0.000 3.062 531 L HA 0.288 4.628 4.340 -0.000 0.000 0.255 531 L C 2.007 179.063 176.870 0.310 0.000 1.274 531 L CA -0.082 54.944 54.840 0.310 0.000 1.047 531 L CB -0.038 42.279 42.059 0.430 0.000 1.402 531 L HN 0.234 nan 8.230 nan 0.000 0.550 532 E N 1.234 121.524 120.200 0.149 0.000 2.130 532 E HA -0.307 4.043 4.350 -0.000 0.000 0.196 532 E C 1.766 178.386 176.600 0.033 0.000 0.998 532 E CA 1.493 57.944 56.400 0.085 0.000 0.806 532 E CB -0.268 29.447 29.700 0.025 0.000 0.738 532 E HN 0.741 nan 8.360 nan 0.000 0.459 533 Q N 0.963 120.724 119.800 -0.065 0.000 2.170 533 Q HA -0.169 4.171 4.340 -0.000 0.000 0.203 533 Q C 0.192 176.063 176.000 -0.215 0.000 0.976 533 Q CA 0.980 56.666 55.803 -0.195 0.000 0.858 533 Q CB -0.627 27.892 28.738 -0.366 0.000 0.907 533 Q HN 0.388 nan 8.270 nan 0.000 0.433 534 Y N -0.309 120.012 120.300 0.035 0.000 2.313 534 Y HA 0.334 4.884 4.550 -0.000 0.000 0.332 534 Y C -0.288 175.513 175.900 -0.164 0.000 1.071 534 Y CA -0.777 57.281 58.100 -0.069 0.000 1.169 534 Y CB 0.664 39.010 38.460 -0.190 0.000 1.192 534 Y HN 0.049 nan 8.280 nan 0.000 0.487 535 F N 0.289 120.311 119.950 0.121 0.000 2.536 535 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 535 F C -1.518 173.860 175.800 -0.703 0.000 0.654 535 F CA -0.132 57.557 58.000 -0.518 0.000 1.632 535 F CB -1.536 37.231 39.000 -0.389 0.000 2.021 535 F HN 0.388 nan 8.300 nan 0.000 0.311 536 P HA -0.214 nan 4.420 nan 0.000 0.214 536 P C 0.912 178.154 177.300 -0.096 0.000 1.163 536 P CA 2.209 65.262 63.100 -0.079 0.000 0.889 536 P CB -0.340 31.424 31.700 0.107 0.000 0.790 537 W N 0.784 122.153 121.300 0.115 0.000 2.480 537 W HA 0.005 4.665 4.660 -0.000 0.000 0.337 537 W C 0.582 177.139 176.519 0.064 0.000 1.201 537 W CA -0.467 56.934 57.345 0.093 0.000 1.309 537 W CB -0.468 28.998 29.460 0.009 0.000 1.168 537 W HN -0.016 nan 8.180 nan 0.000 0.566 538 K N 0.915 121.462 120.400 0.244 0.000 2.444 538 K HA 0.093 4.413 4.320 -0.000 0.000 0.193 538 K C 0.174 176.923 176.600 0.249 0.000 1.024 538 K CA 0.689 57.072 56.287 0.159 0.000 1.077 538 K CB 0.270 32.846 32.500 0.127 0.000 0.833 538 K HN 0.457 nan 8.250 nan 0.000 0.517 539 T N -1.315 113.448 114.554 0.348 0.000 2.886 539 T HA 0.155 4.505 4.350 -0.000 0.000 0.330 539 T C 0.327 174.933 174.700 -0.157 0.000 1.488 539 T CA -0.719 61.464 62.100 0.140 0.000 1.054 539 T CB 0.768 69.690 68.868 0.091 0.000 1.348 539 T HN -0.024 nan 8.240 nan 0.000 0.489 540 I N 1.415 121.462 120.570 -0.870 0.000 2.361 540 I HA -0.045 4.125 4.170 -0.000 0.000 0.251 540 I C 2.239 177.950 176.117 -0.677 0.000 1.133 540 I CA 1.255 61.880 61.300 -1.126 0.000 1.413 540 I CB -0.606 36.359 38.000 -1.726 0.000 1.073 540 I HN 0.703 nan 8.210 nan 0.000 0.424 541 E N 1.504 121.380 120.200 -0.539 0.000 2.274 541 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 541 E C 1.767 178.255 176.600 -0.187 0.000 0.996 541 E CA 1.006 57.161 56.400 -0.408 0.000 0.840 541 E CB -0.551 28.957 29.700 -0.320 0.000 0.772 541 E HN 0.718 nan 8.360 nan 0.000 0.491 542 E N 0.400 120.534 120.200 -0.110 0.000 2.047 542 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 542 E C 1.896 178.523 176.600 0.045 0.000 0.987 542 E CA 0.840 57.254 56.400 0.024 0.000 0.799 542 E CB -0.185 29.596 29.700 0.135 0.000 0.752 542 E HN 0.326 nan 8.360 nan 0.000 0.449 543 Y N 1.226 121.374 120.300 -0.253 0.000 2.145 543 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 543 Y C 2.049 177.857 175.900 -0.153 0.000 1.145 543 Y CA 1.572 59.419 58.100 -0.420 0.000 1.148 543 Y CB -0.122 37.595 38.460 -1.237 0.000 0.981 543 Y HN -0.019 nan 8.280 nan 0.000 0.507 544 L N -0.145 121.054 121.223 -0.041 0.000 2.156 544 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 544 L C 2.306 179.221 176.870 0.076 0.000 1.095 544 L CA 1.055 55.942 54.840 0.078 0.000 0.770 544 L CB -0.529 41.455 42.059 -0.125 0.000 0.914 544 L HN 0.224 nan 8.230 nan 0.000 0.439 545 E N -0.174 120.022 120.200 -0.007 0.000 2.150 545 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 545 E C 2.177 178.750 176.600 -0.045 0.000 0.985 545 E CA 1.478 57.872 56.400 -0.009 0.000 0.814 545 E CB -0.216 29.478 29.700 -0.010 0.000 0.752 545 E HN 0.431 nan 8.360 nan 0.000 0.466 546 T N 1.453 115.964 114.554 -0.072 0.000 2.708 546 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 546 T C 1.872 176.455 174.700 -0.196 0.000 1.037 546 T CA 1.122 63.130 62.100 -0.153 0.000 1.146 546 T CB -0.069 68.649 68.868 -0.251 0.000 0.865 546 T HN 0.187 nan 8.240 nan 0.000 0.435 547 R N 0.725 121.096 120.500 -0.215 0.000 2.148 547 R HA 0.138 4.478 4.340 -0.000 0.000 0.223 547 R C 2.317 178.441 176.300 -0.294 0.000 1.088 547 R CA 0.795 56.717 56.100 -0.296 0.000 0.985 547 R CB -0.432 29.646 30.300 -0.369 0.000 0.880 547 R HN 0.366 nan 8.270 nan 0.000 0.451 548 L N 0.566 121.674 121.223 -0.192 0.000 2.240 548 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 548 L C 2.419 179.228 176.870 -0.103 0.000 1.106 548 L CA 0.911 55.664 54.840 -0.144 0.000 0.793 548 L CB -0.303 41.737 42.059 -0.032 0.000 0.927 548 L HN 0.216 nan 8.230 nan 0.000 0.446 549 Q N -0.157 119.586 119.800 -0.095 0.000 2.002 549 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 549 Q C 2.485 178.440 176.000 -0.074 0.000 0.988 549 Q CA 2.359 58.118 55.803 -0.073 0.000 0.843 549 Q CB -0.167 28.523 28.738 -0.080 0.000 0.908 549 Q HN 0.446 nan 8.270 nan 0.000 0.420 550 S N 0.228 115.867 115.700 -0.102 0.000 2.372 550 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 550 S C 1.789 176.369 174.600 -0.033 0.000 1.044 550 S CA 1.451 59.607 58.200 -0.074 0.000 1.050 550 S CB -0.376 62.737 63.200 -0.145 0.000 0.901 550 S HN 0.419 nan 8.310 nan 0.000 0.447 551 L N 0.342 121.512 121.223 -0.088 0.000 2.418 551 L HA 0.268 4.608 4.340 -0.000 0.000 0.218 551 L C 1.833 178.690 176.870 -0.023 0.000 1.125 551 L CA 0.513 55.326 54.840 -0.045 0.000 0.835 551 L CB -0.365 41.626 42.059 -0.114 0.000 0.953 551 L HN 0.704 nan 8.230 nan 0.000 0.454 552 G N 0.191 108.972 108.800 -0.032 0.000 2.145 552 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.145 552 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.145 552 G C -0.265 174.624 174.900 -0.019 0.000 1.017 552 G CA -0.087 45.001 45.100 -0.019 0.000 0.682 552 G HN 0.212 nan 8.290 nan 0.000 0.504 553 L N -1.432 119.775 121.223 -0.027 0.000 2.510 553 L HA 0.936 5.276 4.340 -0.000 0.000 0.252 553 L C -0.725 176.139 176.870 -0.009 0.000 1.091 553 L CA -1.314 53.519 54.840 -0.012 0.000 0.888 553 L CB 1.294 43.350 42.059 -0.004 0.000 1.507 553 L HN 0.093 nan 8.230 nan 0.000 0.407 554 D N -0.827 119.580 120.400 0.012 0.000 2.585 554 D HA 0.333 4.973 4.640 -0.000 0.000 0.254 554 D C 0.606 176.937 176.300 0.051 0.000 1.067 554 D CA -0.764 53.250 54.000 0.022 0.000 1.090 554 D CB 1.733 42.544 40.800 0.019 0.000 1.408 554 D HN 0.537 nan 8.370 nan 0.000 0.554 555 L N -0.145 121.110 121.223 0.053 0.000 2.012 555 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 555 L C 2.164 179.088 176.870 0.089 0.000 1.073 555 L CA 1.573 56.456 54.840 0.072 0.000 0.748 555 L CB -0.190 41.889 42.059 0.032 0.000 0.891 555 L HN 0.418 nan 8.230 nan 0.000 0.431 556 E N -0.569 119.674 120.200 0.072 0.000 2.118 556 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 556 E C 2.004 178.652 176.600 0.080 0.000 0.992 556 E CA 1.846 58.292 56.400 0.076 0.000 0.804 556 E CB -0.335 29.400 29.700 0.058 0.000 0.741 556 E HN 0.537 nan 8.360 nan 0.000 0.458 557 T N 1.089 115.685 114.554 0.070 0.000 2.942 557 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 557 T C 1.764 176.513 174.700 0.082 0.000 1.062 557 T CA 0.668 62.808 62.100 0.066 0.000 1.139 557 T CB -0.038 68.857 68.868 0.045 0.000 0.883 557 T HN -0.006 nan 8.240 nan 0.000 0.468 558 M N 1.783 121.443 119.600 0.100 0.000 2.159 558 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 558 M C 1.879 178.264 176.300 0.143 0.000 1.063 558 M CA 1.447 56.825 55.300 0.130 0.000 1.110 558 M CB -0.698 32.023 32.600 0.202 0.000 1.374 558 M HN 0.141 nan 8.290 nan 0.000 0.411 559 K N -1.121 119.373 120.400 0.156 0.000 2.147 559 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 559 K C 1.946 178.694 176.600 0.247 0.000 1.049 559 K CA 1.284 57.685 56.287 0.191 0.000 0.936 559 K CB -0.573 32.019 32.500 0.154 0.000 0.722 559 K HN 0.490 nan 8.250 nan 0.000 0.446 560 G N 2.053 110.958 108.800 0.175 0.000 2.421 560 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 560 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 560 G C 1.061 176.087 174.900 0.210 0.000 1.171 560 G CA 0.818 46.028 45.100 0.183 0.000 0.775 560 G HN 0.317 nan 8.290 nan 0.000 0.543 561 M N 0.405 120.039 119.600 0.056 0.000 3.109 561 M HA 0.583 5.063 4.480 -0.000 0.000 0.274 561 M C 1.482 177.624 176.300 -0.263 0.000 1.171 561 M CA -0.240 54.998 55.300 -0.103 0.000 0.856 561 M CB 0.903 33.490 32.600 -0.021 0.000 1.335 561 M HN 0.011 nan 8.290 nan 0.000 0.531 562 G N 1.126 109.555 108.800 -0.619 0.000 3.404 562 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 562 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 562 G C 0.489 175.374 174.900 -0.026 0.000 1.060 562 G CA 1.879 46.730 45.100 -0.416 0.000 0.752 562 G HN 0.558 nan 8.290 nan 0.000 0.717 563 T N -0.495 114.051 114.554 -0.014 0.000 2.885 563 T HA 0.612 4.962 4.350 -0.000 0.000 0.285 563 T C -0.775 173.941 174.700 0.027 0.000 1.019 563 T CA -0.547 61.583 62.100 0.050 0.000 1.010 563 T CB 2.633 71.474 68.868 -0.044 0.000 1.022 563 T HN 0.328 nan 8.240 nan 0.000 0.466 564 L N 2.856 124.121 121.223 0.071 0.000 2.372 564 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 564 L C -1.267 175.647 176.870 0.074 0.000 0.988 564 L CA -0.714 54.150 54.840 0.040 0.000 0.833 564 L CB 1.167 43.235 42.059 0.014 0.000 1.236 564 L HN 0.452 nan 8.230 nan 0.000 0.410 565 V N 4.714 124.647 119.914 0.032 0.000 2.427 565 V HA 0.488 4.607 4.120 -0.000 0.000 0.286 565 V C -0.080 176.027 176.094 0.023 0.000 1.034 565 V CA -0.493 61.831 62.300 0.041 0.000 0.893 565 V CB 1.361 33.164 31.823 -0.033 0.000 0.982 565 V HN 0.789 nan 8.190 nan 0.000 0.452 566 Q N 2.537 122.356 119.800 0.032 0.000 2.378 566 Q HA 0.582 4.922 4.340 -0.000 0.000 0.276 566 Q C -0.567 175.435 176.000 0.002 0.000 1.083 566 Q CA -1.020 54.791 55.803 0.015 0.000 0.856 566 Q CB 2.570 31.320 28.738 0.020 0.000 1.383 566 Q HN 0.594 nan 8.270 nan 0.000 0.458 567 R N -0.301 120.191 120.500 -0.012 0.000 2.349 567 R HA 0.570 4.910 4.340 -0.000 0.000 0.299 567 R C -0.487 175.787 176.300 -0.044 0.000 1.027 567 R CA 0.096 56.178 56.100 -0.030 0.000 0.958 567 R CB 0.710 30.988 30.300 -0.037 0.000 1.047 567 R HN 0.787 nan 8.270 nan 0.000 0.468 568 G N 2.270 111.034 108.800 -0.060 0.000 3.085 568 G HA2 0.449 4.409 3.960 -0.000 0.000 0.264 568 G HA3 0.449 4.409 3.960 -0.000 0.000 0.264 568 G C -1.458 173.373 174.900 -0.115 0.000 1.206 568 G CA -0.599 44.454 45.100 -0.078 0.000 0.809 568 G HN 0.451 nan 8.290 nan 0.000 0.592 569 K N -0.001 120.336 120.400 -0.106 0.000 2.502 569 K HA 0.520 4.840 4.320 -0.000 0.000 0.257 569 K C -2.487 174.048 176.600 -0.108 0.000 0.938 569 K CA -1.592 54.625 56.287 -0.117 0.000 0.819 569 K CB 3.621 36.018 32.500 -0.173 0.000 1.333 569 K HN 0.192 nan 8.250 nan 0.000 0.434 570 P HA 0.183 nan 4.420 nan 0.000 0.322 570 P C -0.830 176.131 177.300 -0.564 0.000 1.268 570 P CA 0.041 62.736 63.100 -0.675 0.000 1.064 570 P CB 0.628 31.465 31.700 -1.438 0.000 1.565 571 W N -0.761 120.643 121.300 0.172 0.000 2.750 571 W HA 0.491 5.151 4.660 -0.000 0.000 0.547 571 W C 1.537 178.156 176.519 0.168 0.000 1.555 571 W CA -0.817 56.605 57.345 0.127 0.000 1.449 571 W CB 0.124 29.650 29.460 0.110 0.000 2.736 571 W HN -0.417 nan 8.180 nan 0.000 0.723 572 L N 0.038 121.490 121.223 0.381 0.000 2.425 572 L HA 0.054 4.394 4.340 -0.000 0.000 0.215 572 L C 2.164 179.226 176.870 0.321 0.000 1.065 572 L CA 0.485 55.470 54.840 0.241 0.000 0.842 572 L CB -0.493 41.575 42.059 0.015 0.000 1.033 572 L HN 0.459 nan 8.230 nan 0.000 0.474 573 E N 0.935 121.309 120.200 0.289 0.000 2.070 573 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 573 E C 1.446 178.176 176.600 0.216 0.000 1.004 573 E CA 1.803 58.340 56.400 0.229 0.000 0.805 573 E CB -0.206 29.600 29.700 0.178 0.000 0.744 573 E HN 0.485 nan 8.360 nan 0.000 0.451 574 D N -0.170 120.369 120.400 0.232 0.000 2.182 574 D HA -0.173 4.467 4.640 -0.000 0.000 0.201 574 D C 1.586 177.878 176.300 -0.014 0.000 0.986 574 D CA 0.955 55.008 54.000 0.089 0.000 0.847 574 D CB -0.453 40.365 40.800 0.030 0.000 0.942 574 D HN 0.325 nan 8.370 nan 0.000 0.467 575 W N 1.128 122.473 121.300 0.074 0.000 2.444 575 W HA 0.071 4.731 4.660 -0.000 0.000 0.308 575 W C 2.593 179.160 176.519 0.079 0.000 1.183 575 W CA 0.403 57.786 57.345 0.064 0.000 1.340 575 W CB -0.376 29.116 29.460 0.055 0.000 1.138 575 W HN -0.049 nan 8.180 nan 0.000 0.510 576 E N 0.493 120.902 120.200 0.349 0.000 2.058 576 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 576 E C 2.009 178.708 176.600 0.166 0.000 0.997 576 E CA 1.514 58.064 56.400 0.250 0.000 0.801 576 E CB -0.065 29.781 29.700 0.243 0.000 0.746 576 E HN 0.172 nan 8.360 nan 0.000 0.450 577 K N 0.288 120.766 120.400 0.130 0.000 2.147 577 K HA -0.159 4.160 4.320 -0.000 0.000 0.205 577 K C 1.837 178.473 176.600 0.061 0.000 1.049 577 K CA 0.953 57.290 56.287 0.083 0.000 0.936 577 K CB -0.046 32.493 32.500 0.065 0.000 0.722 577 K HN 0.128 nan 8.250 nan 0.000 0.446 578 E N -0.132 120.100 120.200 0.054 0.000 2.516 578 E HA -0.048 4.302 4.350 -0.000 0.000 0.199 578 E C 0.587 177.225 176.600 0.063 0.000 1.069 578 E CA 0.307 56.724 56.400 0.029 0.000 0.876 578 E CB 0.091 29.779 29.700 -0.021 0.000 0.843 578 E HN 0.484 nan 8.360 nan 0.000 0.530 579 G N 1.630 110.488 108.800 0.097 0.000 2.147 579 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.244 579 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.244 579 G C 0.093 175.079 174.900 0.143 0.000 1.005 579 G CA 0.631 45.795 45.100 0.106 0.000 0.713 579 G HN 0.293 nan 8.290 nan 0.000 0.515 580 R N -1.726 118.898 120.500 0.205 0.000 2.930 580 R HA 0.953 5.293 4.340 -0.000 0.000 0.257 580 R C -1.306 175.216 176.300 0.370 0.000 1.107 580 R CA -1.088 55.181 56.100 0.283 0.000 0.999 580 R CB 1.464 31.959 30.300 0.325 0.000 1.209 580 R HN 0.328 nan 8.270 nan 0.000 0.486 581 L N 0.240 121.683 121.223 0.366 0.000 2.415 581 L HA 0.470 4.810 4.340 -0.000 0.000 0.256 581 L C -1.960 174.942 176.870 0.053 0.000 1.010 581 L CA -1.943 53.052 54.840 0.258 0.000 0.826 581 L CB 2.480 44.802 42.059 0.438 0.000 1.405 581 L HN 0.621 nan 8.230 nan 0.000 0.410 582 P HA 0.085 nan 4.420 nan 0.000 0.209 582 P C 0.745 178.022 177.300 -0.039 0.000 1.201 582 P CA 0.660 63.445 63.100 -0.524 0.000 0.911 582 P CB 0.318 31.386 31.700 -1.053 0.000 0.758 583 F N -0.795 119.100 119.950 -0.092 0.000 2.976 583 F HA -0.324 4.203 4.527 -0.000 0.000 0.231 583 F C 2.026 177.850 175.800 0.041 0.000 1.102 583 F CA 1.878 59.884 58.000 0.010 0.000 1.448 583 F CB -2.085 36.931 39.000 0.027 0.000 0.701 583 F HN 0.275 nan 8.300 nan 0.000 0.507 584 G N -3.143 105.897 108.800 0.399 0.000 2.645 584 G HA2 0.318 4.278 3.960 -0.000 0.000 0.208 584 G HA3 0.318 4.278 3.960 -0.000 0.000 0.208 584 G C 0.484 175.457 174.900 0.122 0.000 1.264 584 G CA 0.524 45.760 45.100 0.225 0.000 0.586 584 G HN 0.617 nan 8.290 nan 0.000 0.952 585 T N 0.329 114.895 114.554 0.019 0.000 3.275 585 T HA 0.557 4.907 4.350 -0.000 0.000 0.298 585 T C 0.720 175.269 174.700 -0.252 0.000 0.988 585 T CA 0.739 62.791 62.100 -0.081 0.000 0.936 585 T CB 1.072 69.908 68.868 -0.052 0.000 1.159 585 T HN 1.556 nan 8.240 nan 0.000 0.519 586 A N 0.296 122.812 122.820 -0.506 0.000 4.143 586 A HA 0.115 4.435 4.320 -0.000 0.000 0.183 586 A C 0.414 177.470 177.584 -0.880 0.000 1.288 586 A CA 0.234 51.936 52.037 -0.557 0.000 1.225 586 A CB -1.738 17.133 19.000 -0.216 0.000 0.987 586 A HN 0.647 nan 8.150 nan 0.000 0.744 587 S N -1.783 112.796 115.700 -1.868 0.000 2.815 587 S HA 0.446 4.916 4.470 -0.000 0.000 0.307 587 S C 0.055 174.259 174.600 -0.659 0.000 0.710 587 S CA 0.037 57.629 58.200 -1.014 0.000 0.706 587 S CB -0.077 62.928 63.200 -0.325 0.000 0.933 587 S HN 2.089 nan 8.310 nan 0.000 0.561 588 G N 3.756 112.849 108.800 0.487 0.000 2.272 588 G HA2 0.278 4.238 3.960 -0.000 0.000 0.247 588 G HA3 0.278 4.238 3.960 -0.000 0.000 0.247 588 G C -0.035 174.922 174.900 0.094 0.000 1.272 588 G CA -0.197 45.173 45.100 0.451 0.000 0.921 588 G HN 0.552 nan 8.290 nan 0.000 0.495 589 K N 4.483 124.896 120.400 0.022 0.000 2.250 589 K HA 0.144 4.464 4.320 -0.000 0.000 0.285 589 K C 1.056 177.625 176.600 -0.050 0.000 1.097 589 K CA -0.667 55.609 56.287 -0.018 0.000 0.913 589 K CB 1.674 34.166 32.500 -0.014 0.000 1.179 589 K HN 0.524 nan 8.250 nan 0.000 0.462 590 I N 1.890 122.401 120.570 -0.098 0.000 2.118 590 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 590 I C 1.988 177.768 176.117 -0.562 0.000 1.070 590 I CA 1.692 62.831 61.300 -0.269 0.000 1.327 590 I CB 0.232 38.129 38.000 -0.172 0.000 1.034 590 I HN 0.598 nan 8.210 nan 0.000 0.405 591 E N 0.637 120.604 120.200 -0.389 0.000 2.077 591 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 591 E C 1.431 177.998 176.600 -0.055 0.000 0.989 591 E CA 1.726 57.906 56.400 -0.367 0.000 0.800 591 E CB -0.029 29.492 29.700 -0.299 0.000 0.746 591 E HN 0.653 nan 8.360 nan 0.000 0.452 592 L N -3.805 117.415 121.223 -0.006 0.000 4.237 592 L HA -0.141 4.199 4.340 -0.000 0.000 0.393 592 L C -1.180 175.832 176.870 0.237 0.000 0.985 592 L CA 0.725 55.655 54.840 0.150 0.000 1.384 592 L CB -2.740 39.494 42.059 0.291 0.000 1.965 592 L HN 0.220 nan 8.230 nan 0.000 0.544 593 Y N -1.428 118.793 120.300 -0.131 0.000 1.881 593 Y HA 0.245 4.795 4.550 -0.000 0.000 0.309 593 Y C 1.177 176.930 175.900 -0.245 0.000 1.164 593 Y CA -0.313 57.605 58.100 -0.304 0.000 1.811 593 Y CB -0.413 37.583 38.460 -0.775 0.000 1.252 593 Y HN 0.224 nan 8.280 nan 0.000 0.376 594 C N 2.119 121.155 119.300 -0.441 0.000 2.403 594 C HA -0.185 4.275 4.460 -0.000 0.000 0.279 594 C C 2.514 177.308 174.990 -0.326 0.000 1.269 594 C CA 2.232 61.098 59.018 -0.253 0.000 1.774 594 C CB -0.806 26.822 27.740 -0.186 0.000 1.993 594 C HN 0.875 nan 8.230 nan 0.000 0.496 595 Q N -0.095 119.272 119.800 -0.721 0.000 2.403 595 Q HA -0.049 4.291 4.340 -0.000 0.000 0.203 595 Q C 2.009 177.946 176.000 -0.105 0.000 0.932 595 Q CA 0.581 56.144 55.803 -0.400 0.000 0.945 595 Q CB -0.080 28.442 28.738 -0.361 0.000 1.045 595 Q HN 0.749 nan 8.270 nan 0.000 0.511 596 R N -0.780 119.593 120.500 -0.212 0.000 2.103 596 R HA 0.004 4.344 4.340 -0.000 0.000 0.212 596 R C 1.777 178.082 176.300 0.008 0.000 1.107 596 R CA 0.524 56.469 56.100 -0.258 0.000 1.025 596 R CB -0.668 29.255 30.300 -0.628 0.000 0.929 596 R HN 0.172 nan 8.270 nan 0.000 0.456 597 F N 2.657 122.522 119.950 -0.143 0.000 2.041 597 F HA -0.330 4.197 4.527 -0.000 0.000 0.296 597 F C 1.480 177.265 175.800 -0.025 0.000 1.147 597 F CA 2.347 60.315 58.000 -0.054 0.000 1.214 597 F CB -0.885 38.059 39.000 -0.093 0.000 0.947 597 F HN 0.045 nan 8.300 nan 0.000 0.511 598 K N -0.573 119.853 120.400 0.043 0.000 1.998 598 K HA -0.294 4.026 4.320 -0.000 0.000 0.228 598 K C 1.955 178.557 176.600 0.003 0.000 1.053 598 K CA 2.482 58.715 56.287 -0.089 0.000 0.988 598 K CB -0.551 31.899 32.500 -0.084 0.000 0.735 598 K HN 0.189 nan 8.250 nan 0.000 0.448 599 E N -1.086 119.159 120.200 0.075 0.000 2.452 599 E HA 0.129 4.479 4.350 -0.000 0.000 0.197 599 E C 1.198 177.897 176.600 0.165 0.000 1.022 599 E CA 0.448 56.915 56.400 0.111 0.000 0.890 599 E CB 0.611 30.380 29.700 0.114 0.000 0.918 599 E HN 0.381 nan 8.360 nan 0.000 0.496 600 A N -1.055 121.877 122.820 0.187 0.000 2.063 600 A HA 0.534 4.854 4.320 -0.000 0.000 0.211 600 A C 1.660 179.344 177.584 0.167 0.000 1.177 600 A CA 1.158 53.309 52.037 0.190 0.000 0.759 600 A CB 0.200 19.283 19.000 0.139 0.000 0.857 600 A HN 0.325 nan 8.150 nan 0.000 0.468 601 G N -1.728 107.182 108.800 0.183 0.000 2.793 601 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.197 601 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.197 601 G C 0.107 175.177 174.900 0.284 0.000 2.112 601 G CA 0.131 45.351 45.100 0.201 0.000 1.556 601 G HN 0.775 nan 8.290 nan 0.000 0.534 602 H N 0.552 119.728 119.070 0.177 0.000 2.569 602 H HA 0.666 5.222 4.556 -0.000 0.000 0.357 602 H C 0.865 176.258 175.328 0.108 0.000 1.153 602 H CA -0.441 55.699 56.048 0.153 0.000 1.193 602 H CB 2.070 31.925 29.762 0.156 0.000 1.602 602 H HN 0.296 nan 8.280 nan 0.000 0.523 603 Q N 2.448 122.261 119.800 0.022 0.000 2.252 603 Q HA 0.173 4.513 4.340 -0.000 0.000 0.195 603 Q C -1.840 173.970 176.000 -0.317 0.000 0.974 603 Q CA -0.355 55.310 55.803 -0.229 0.000 0.846 603 Q CB -0.152 28.191 28.738 -0.658 0.000 0.943 603 Q HN 0.490 nan 8.270 nan 0.000 0.516 604 P HA 0.028 nan 4.420 nan 0.000 0.274 604 P C -0.670 176.014 177.300 -1.028 0.000 1.237 604 P CA 0.335 62.927 63.100 -0.847 0.000 0.793 604 P CB 0.281 31.187 31.700 -1.323 0.000 0.977 605 L N 0.404 121.173 121.223 -0.756 0.000 2.930 605 L HA 0.212 4.552 4.340 -0.000 0.000 0.250 605 L C -1.408 175.140 176.870 -0.537 0.000 1.320 605 L CA -0.771 53.487 54.840 -0.969 0.000 1.163 605 L CB -1.286 40.582 42.059 -0.319 0.000 1.542 605 L HN 0.227 nan 8.230 nan 0.000 0.428 606 P HA -0.103 nan 4.420 nan 0.000 0.223 606 P C 1.075 178.317 177.300 -0.097 0.000 1.151 606 P CA 0.578 63.657 63.100 -0.036 0.000 0.787 606 P CB 0.178 32.054 31.700 0.294 0.000 0.788 607 V N 2.809 122.598 119.914 -0.208 0.000 2.032 607 V HA -0.125 3.995 4.120 -0.000 0.000 0.233 607 V C 1.553 177.671 176.094 0.039 0.000 1.578 607 V CA 0.392 62.698 62.300 0.010 0.000 1.560 607 V CB -2.269 29.729 31.823 0.292 0.000 1.556 607 V HN 0.030 nan 8.190 nan 0.000 0.496 608 F N 2.498 122.407 119.950 -0.068 0.000 2.407 608 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 608 F C 1.446 177.196 175.800 -0.083 0.000 1.097 608 F CA 0.284 58.233 58.000 -0.085 0.000 1.422 608 F CB -0.962 37.986 39.000 -0.086 0.000 1.067 608 F HN 0.394 nan 8.300 nan 0.000 0.539 609 T N 4.168 118.340 114.554 -0.638 0.000 2.265 609 T HA -0.162 4.187 4.350 -0.000 0.000 0.553 609 T C -2.328 171.847 174.700 -0.875 0.000 0.873 609 T CA 0.116 61.856 62.100 -0.600 0.000 3.443 609 T CB -1.637 67.107 68.868 -0.207 0.000 1.306 609 T HN 0.222 nan 8.240 nan 0.000 0.297 610 P HA 0.001 nan 4.420 nan 0.000 0.263 610 P C -1.935 175.154 177.300 -0.351 0.000 1.145 610 P CA -0.660 62.002 63.100 -0.730 0.000 0.755 610 P CB -0.074 31.424 31.700 -0.337 0.000 0.746 611 P HA 0.136 nan 4.420 nan 0.000 0.282 611 P C -0.178 177.119 177.300 -0.006 0.000 1.249 611 P CA -0.309 62.728 63.100 -0.105 0.000 0.806 611 P CB 0.810 32.415 31.700 -0.158 0.000 0.984 612 E N 2.107 122.347 120.200 0.066 0.000 2.414 612 E HA -0.005 4.345 4.350 -0.000 0.000 0.263 612 E C -0.239 176.459 176.600 0.162 0.000 1.000 612 E CA 0.193 56.659 56.400 0.110 0.000 0.914 612 E CB 0.471 30.276 29.700 0.176 0.000 0.948 612 E HN 0.369 nan 8.360 nan 0.000 0.444 613 E N 4.222 124.420 120.200 -0.003 0.000 2.250 613 E HA 0.310 4.660 4.350 -0.000 0.000 0.269 613 E C -2.229 174.008 176.600 -0.606 0.000 1.018 613 E CA -2.067 54.251 56.400 -0.136 0.000 0.873 613 E CB 0.962 30.598 29.700 -0.107 0.000 1.134 613 E HN 0.404 nan 8.360 nan 0.000 0.403 614 P HA 0.135 nan 4.420 nan 0.000 0.271 614 P C -2.473 174.442 177.300 -0.643 0.000 1.216 614 P CA -1.067 61.321 63.100 -1.187 0.000 0.776 614 P CB -0.347 31.082 31.700 -0.453 0.000 0.881 615 P HA 0.114 nan 4.420 nan 0.000 0.274 615 P C -0.233 177.017 177.300 -0.083 0.000 1.237 615 P CA -0.402 62.518 63.100 -0.299 0.000 0.793 615 P CB 0.295 31.791 31.700 -0.341 0.000 0.977 616 E N 0.881 121.052 120.200 -0.048 0.000 2.415 616 E HA 0.232 4.582 4.350 -0.000 0.000 0.263 616 E C 0.711 177.345 176.600 0.056 0.000 0.995 616 E CA 0.256 56.638 56.400 -0.032 0.000 0.915 616 E CB -0.661 29.016 29.700 -0.038 0.000 0.951 616 E HN 0.754 nan 8.360 nan 0.000 0.449 617 G N 2.919 111.685 108.800 -0.056 0.000 2.194 617 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.236 617 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.236 617 G C -0.257 174.456 174.900 -0.311 0.000 0.987 617 G CA 0.080 45.100 45.100 -0.133 0.000 0.635 617 G HN 0.461 nan 8.290 nan 0.000 0.520 618 F N -0.591 119.187 119.950 -0.288 0.000 2.594 618 F HA 0.864 5.391 4.527 -0.000 0.000 0.335 618 F C 0.159 175.660 175.800 -0.499 0.000 1.058 618 F CA -1.201 56.666 58.000 -0.222 0.000 0.981 618 F CB 1.378 40.333 39.000 -0.074 0.000 1.289 618 F HN -0.000 nan 8.300 nan 0.000 0.490 619 Y N -0.410 120.094 120.300 0.340 0.000 2.553 619 Y HA 0.464 5.014 4.550 -0.000 0.000 0.347 619 Y C -0.189 175.941 175.900 0.385 0.000 1.019 619 Y CA -1.308 56.956 58.100 0.275 0.000 1.032 619 Y CB 1.613 40.192 38.460 0.199 0.000 1.284 619 Y HN 0.367 nan 8.280 nan 0.000 0.466 620 R N 2.394 123.206 120.500 0.521 0.000 2.491 620 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 620 R C -0.946 175.550 176.300 0.327 0.000 1.072 620 R CA -0.347 56.042 56.100 0.482 0.000 1.048 620 R CB 0.380 30.928 30.300 0.413 0.000 0.983 620 R HN 0.767 nan 8.270 nan 0.000 0.450 621 L N 7.338 128.701 121.223 0.234 0.000 2.268 621 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 621 L C -0.849 176.110 176.870 0.148 0.000 1.064 621 L CA -0.269 54.677 54.840 0.177 0.000 0.824 621 L CB 0.378 42.523 42.059 0.142 0.000 1.202 621 L HN 0.635 nan 8.230 nan 0.000 0.433 622 L N 5.347 126.630 121.223 0.100 0.000 2.358 622 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 622 L C -0.793 176.017 176.870 -0.100 0.000 1.032 622 L CA -0.846 53.977 54.840 -0.029 0.000 0.805 622 L CB 1.616 43.688 42.059 0.023 0.000 1.253 622 L HN 0.499 nan 8.230 nan 0.000 0.452 623 Y N -0.976 119.202 120.300 -0.203 0.000 2.689 623 Y HA 0.899 5.449 4.550 -0.000 0.000 0.333 623 Y C -0.315 175.450 175.900 -0.225 0.000 1.208 623 Y CA -0.709 57.141 58.100 -0.417 0.000 1.055 623 Y CB 1.450 39.766 38.460 -0.241 0.000 1.304 623 Y HN 0.677 nan 8.280 nan 0.000 0.455 624 G N 0.543 109.315 108.800 -0.046 0.000 2.450 624 G HA2 0.517 4.477 3.960 -0.000 0.000 0.273 624 G HA3 0.517 4.477 3.960 -0.000 0.000 0.273 624 G C -1.810 173.253 174.900 0.272 0.000 1.221 624 G CA -1.443 43.764 45.100 0.179 0.000 0.900 624 G HN 0.530 nan 8.290 nan 0.000 0.483 625 R N 0.084 120.811 120.500 0.378 0.000 2.540 625 R HA 0.717 5.057 4.340 -0.000 0.000 0.287 625 R C -0.396 175.949 176.300 0.076 0.000 0.980 625 R CA -0.616 55.558 56.100 0.123 0.000 0.966 625 R CB 1.397 31.653 30.300 -0.072 0.000 1.106 625 R HN 0.506 nan 8.270 nan 0.000 0.480 626 S N 2.639 118.389 115.700 0.083 0.000 2.457 626 S HA 0.272 4.742 4.470 -0.000 0.000 0.289 626 S C -1.362 173.237 174.600 -0.003 0.000 1.163 626 S CA -1.720 56.549 58.200 0.116 0.000 1.078 626 S CB 0.966 64.334 63.200 0.279 0.000 0.987 626 S HN 0.362 nan 8.310 nan 0.000 0.482 627 P HA -0.084 nan 4.420 nan 0.000 0.222 627 P C 0.899 178.121 177.300 -0.130 0.000 1.142 627 P CA 0.923 63.957 63.100 -0.110 0.000 0.788 627 P CB 0.137 31.781 31.700 -0.093 0.000 0.767 628 V N -1.996 117.848 119.914 -0.116 0.000 3.645 628 V HA 0.136 4.256 4.120 -0.000 0.000 0.275 628 V C 0.778 176.666 176.094 -0.343 0.000 1.356 628 V CA 0.286 62.458 62.300 -0.214 0.000 1.051 628 V CB -0.494 31.202 31.823 -0.212 0.000 0.828 628 V HN 0.179 nan 8.190 nan 0.000 0.441 629 H N -0.002 119.011 119.070 -0.095 0.000 2.572 629 H HA 0.470 5.026 4.556 -0.000 0.000 0.359 629 H C -0.453 174.738 175.328 -0.229 0.000 1.134 629 H CA -0.167 55.797 56.048 -0.140 0.000 1.187 629 H CB 2.082 31.778 29.762 -0.110 0.000 1.597 629 H HN 0.050 nan 8.280 nan 0.000 0.524 630 T N 4.094 118.553 114.554 -0.158 0.000 2.799 630 T HA 0.184 4.534 4.350 -0.000 0.000 0.286 630 T C 1.016 175.545 174.700 -0.284 0.000 0.973 630 T CA -0.381 61.486 62.100 -0.388 0.000 1.035 630 T CB 0.449 69.082 68.868 -0.393 0.000 0.932 630 T HN 0.516 nan 8.240 nan 0.000 0.469 631 F N 1.488 121.408 119.950 -0.049 0.000 2.703 631 F HA -0.447 4.080 4.527 -0.000 0.000 0.237 631 F C 2.197 177.856 175.800 -0.235 0.000 1.387 631 F CA 1.849 59.843 58.000 -0.009 0.000 1.850 631 F CB -1.302 37.739 39.000 0.067 0.000 0.553 631 F HN 0.615 nan 8.300 nan 0.000 0.364 632 A N -0.822 122.030 122.820 0.054 0.000 2.009 632 A HA 0.163 4.483 4.320 -0.000 0.000 0.197 632 A C 1.687 179.239 177.584 -0.052 0.000 1.471 632 A CA 0.313 52.250 52.037 -0.168 0.000 0.973 632 A CB -0.267 18.530 19.000 -0.338 0.000 1.020 632 A HN 0.477 nan 8.150 nan 0.000 0.476 633 R N 0.357 120.865 120.500 0.014 0.000 2.421 633 R HA -0.045 4.295 4.340 -0.000 0.000 0.208 633 R C 0.612 176.884 176.300 -0.048 0.000 1.103 633 R CA 1.669 57.768 56.100 -0.002 0.000 1.065 633 R CB -0.835 29.487 30.300 0.036 0.000 0.839 633 R HN 0.257 nan 8.270 nan 0.000 0.480 634 T N 0.027 114.543 114.554 -0.064 0.000 3.043 634 T HA 0.111 4.461 4.350 -0.000 0.000 0.272 634 T C 0.995 175.708 174.700 0.022 0.000 0.990 634 T CA -0.289 61.803 62.100 -0.014 0.000 0.897 634 T CB 0.244 69.125 68.868 0.023 0.000 1.111 634 T HN 0.250 nan 8.240 nan 0.000 0.529 635 Q N 0.661 120.366 119.800 -0.159 0.000 2.488 635 Q HA 0.121 4.461 4.340 -0.000 0.000 0.211 635 Q C 1.192 177.090 176.000 -0.170 0.000 0.967 635 Q CA 0.747 56.377 55.803 -0.289 0.000 0.926 635 Q CB -0.206 28.242 28.738 -0.483 0.000 0.992 635 Q HN 0.414 nan 8.270 nan 0.000 0.506 636 N N 0.724 119.352 118.700 -0.121 0.000 2.184 636 N HA -0.030 4.710 4.740 -0.000 0.000 0.206 636 N C -0.365 175.158 175.510 0.023 0.000 1.151 636 N CA -0.114 52.904 53.050 -0.054 0.000 0.878 636 N CB 0.384 38.823 38.487 -0.080 0.000 1.014 636 N HN 0.007 nan 8.380 nan 0.000 0.512 637 N N 1.381 120.087 118.700 0.010 0.000 2.405 637 N HA -0.060 4.680 4.740 -0.000 0.000 0.260 637 N C 1.221 176.762 175.510 0.052 0.000 1.152 637 N CA -0.230 52.809 53.050 -0.019 0.000 0.948 637 N CB 0.217 38.657 38.487 -0.079 0.000 1.111 637 N HN 0.395 nan 8.380 nan 0.000 0.485 638 W N 4.493 125.806 121.300 0.021 0.000 2.374 638 W HA -0.088 4.572 4.660 -0.000 0.000 0.288 638 W C 0.444 176.982 176.519 0.031 0.000 1.218 638 W CA 0.241 57.607 57.345 0.034 0.000 1.245 638 W CB -0.649 28.833 29.460 0.037 0.000 1.126 638 W HN 0.212 nan 8.180 nan 0.000 0.545 639 V N 2.344 121.943 119.914 -0.524 0.000 2.515 639 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 639 V C 2.521 178.519 176.094 -0.160 0.000 1.058 639 V CA 1.672 63.669 62.300 -0.505 0.000 1.064 639 V CB -0.641 30.748 31.823 -0.723 0.000 0.675 639 V HN 0.188 nan 8.190 nan 0.000 0.461 640 L N -1.715 119.417 121.223 -0.151 0.000 2.298 640 L HA 0.038 4.378 4.340 -0.000 0.000 0.209 640 L C 2.402 179.236 176.870 -0.059 0.000 1.084 640 L CA 0.529 55.262 54.840 -0.178 0.000 0.816 640 L CB -0.361 41.527 42.059 -0.284 0.000 0.967 640 L HN 0.242 nan 8.230 nan 0.000 0.460 641 M N -0.183 119.505 119.600 0.146 0.000 2.296 641 M HA -0.174 4.306 4.480 -0.000 0.000 0.265 641 M C 2.011 178.450 176.300 0.231 0.000 1.064 641 M CA 1.401 56.878 55.300 0.296 0.000 1.109 641 M CB -0.674 32.082 32.600 0.260 0.000 1.396 641 M HN 0.271 nan 8.290 nan 0.000 0.430 642 E N -0.429 119.889 120.200 0.198 0.000 2.347 642 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 642 E C 1.762 178.440 176.600 0.129 0.000 1.008 642 E CA 0.618 57.129 56.400 0.186 0.000 0.852 642 E CB 0.327 30.184 29.700 0.262 0.000 0.783 642 E HN 0.299 nan 8.360 nan 0.000 0.505 643 M N 0.043 119.698 119.600 0.091 0.000 2.394 643 M HA 0.082 4.562 4.480 -0.000 0.000 0.266 643 M C 0.138 176.492 176.300 0.090 0.000 1.098 643 M CA 0.753 56.085 55.300 0.053 0.000 1.149 643 M CB 0.083 32.673 32.600 -0.016 0.000 1.369 643 M HN -0.089 nan 8.290 nan 0.000 0.450 644 D N 0.149 120.652 120.400 0.171 0.000 2.445 644 D HA 0.229 4.869 4.640 -0.000 0.000 0.236 644 D C -2.248 174.327 176.300 0.458 0.000 1.315 644 D CA -1.156 53.014 54.000 0.284 0.000 0.924 644 D CB 1.417 42.408 40.800 0.319 0.000 1.447 644 D HN -0.085 nan 8.370 nan 0.000 0.532 645 P HA 0.066 nan 4.420 nan 0.000 0.236 645 P C -0.536 176.879 177.300 0.192 0.000 1.177 645 P CA 0.604 63.856 63.100 0.254 0.000 0.773 645 P CB 0.189 31.987 31.700 0.164 0.000 0.878 646 E N -1.351 118.825 120.200 -0.041 0.000 2.409 646 E HA 0.276 4.625 4.350 -0.000 0.000 0.280 646 E C -1.212 174.927 176.600 -0.769 0.000 1.079 646 E CA -1.155 54.977 56.400 -0.446 0.000 0.840 646 E CB 0.442 30.058 29.700 -0.140 0.000 1.309 646 E HN 0.004 nan 8.360 nan 0.000 0.447 647 N N 0.293 118.382 118.700 -1.019 0.000 2.447 647 N HA 0.503 5.243 4.740 -0.000 0.000 0.271 647 N C -0.984 174.374 175.510 -0.253 0.000 1.226 647 N CA -0.901 51.788 53.050 -0.601 0.000 0.980 647 N CB 1.148 39.328 38.487 -0.512 0.000 1.206 647 N HN 0.502 nan 8.380 nan 0.000 0.558 648 E N -0.011 120.141 120.200 -0.080 0.000 2.278 648 E HA 0.249 4.599 4.350 -0.000 0.000 0.272 648 E C -1.347 175.346 176.600 0.156 0.000 0.890 648 E CA -0.840 55.552 56.400 -0.013 0.000 0.770 648 E CB 2.361 32.060 29.700 -0.002 0.000 1.212 648 E HN 0.344 nan 8.360 nan 0.000 0.415 649 V N 1.871 121.835 119.914 0.083 0.000 2.455 649 V HA 0.214 4.334 4.120 -0.000 0.000 0.273 649 V C -0.595 175.657 176.094 0.264 0.000 1.045 649 V CA -0.650 61.744 62.300 0.156 0.000 0.976 649 V CB -0.229 31.615 31.823 0.035 0.000 0.993 649 V HN 0.606 nan 8.190 nan 0.000 0.475 650 W N 6.189 127.507 121.300 0.030 0.000 2.332 650 W HA 0.711 5.371 4.660 -0.000 0.000 0.306 650 W C -0.335 176.168 176.519 -0.026 0.000 1.149 650 W CA -1.037 56.325 57.345 0.028 0.000 1.271 650 W CB 0.123 29.650 29.460 0.112 0.000 1.243 650 W HN 0.428 nan 8.180 nan 0.000 0.459 651 I N 1.116 121.732 120.570 0.078 0.000 2.689 651 I HA 0.288 4.458 4.170 -0.000 0.000 0.299 651 I C 0.266 176.385 176.117 0.004 0.000 1.059 651 I CA -1.483 59.802 61.300 -0.024 0.000 1.055 651 I CB 1.260 39.174 38.000 -0.143 0.000 1.243 651 I HN 0.292 nan 8.210 nan 0.000 0.425 652 H N 3.999 123.069 119.070 0.000 0.000 2.897 652 H HA 0.121 4.677 4.556 -0.000 0.000 0.347 652 H C 0.664 175.991 175.328 -0.001 0.000 1.068 652 H CA 0.855 56.920 56.048 0.029 0.000 1.426 652 H CB 1.153 30.955 29.762 0.066 0.000 1.410 652 H HN 0.647 nan 8.280 nan 0.000 0.597 653 K N 3.053 123.224 120.400 -0.382 0.000 2.089 653 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 653 K C 1.865 178.524 176.600 0.098 0.000 1.048 653 K CA 2.245 58.452 56.287 -0.134 0.000 0.926 653 K CB 0.107 32.479 32.500 -0.214 0.000 0.714 653 K HN 0.668 nan 8.250 nan 0.000 0.448 654 E N -0.153 120.269 120.200 0.370 0.000 2.216 654 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 654 E C 1.765 178.457 176.600 0.154 0.000 0.988 654 E CA 0.628 57.164 56.400 0.226 0.000 0.834 654 E CB 0.278 30.082 29.700 0.174 0.000 0.772 654 E HN 0.235 nan 8.360 nan 0.000 0.479 655 E N 0.305 120.617 120.200 0.188 0.000 2.051 655 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 655 E C 2.114 178.765 176.600 0.085 0.000 0.979 655 E CA 0.890 57.376 56.400 0.144 0.000 0.803 655 E CB -0.282 29.526 29.700 0.179 0.000 0.761 655 E HN 0.209 nan 8.360 nan 0.000 0.451 656 A N 1.818 124.665 122.820 0.045 0.000 2.076 656 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 656 A C 2.113 179.707 177.584 0.017 0.000 1.160 656 A CA 1.590 53.631 52.037 0.007 0.000 0.653 656 A CB -0.383 18.599 19.000 -0.031 0.000 0.801 656 A HN 0.081 nan 8.150 nan 0.000 0.455 657 K N -0.655 119.764 120.400 0.032 0.000 2.076 657 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 657 K C 2.367 178.985 176.600 0.029 0.000 1.051 657 K CA 0.961 57.264 56.287 0.026 0.000 0.949 657 K CB -0.176 32.342 32.500 0.030 0.000 0.726 657 K HN 0.453 nan 8.250 nan 0.000 0.443 658 R N 0.765 121.291 120.500 0.043 0.000 2.066 658 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 658 R C 1.034 177.356 176.300 0.036 0.000 1.131 658 R CA 0.546 56.669 56.100 0.039 0.000 0.955 658 R CB -0.229 30.100 30.300 0.049 0.000 0.851 658 R HN 0.090 nan 8.270 nan 0.000 0.432 659 L N -0.834 120.416 121.223 0.045 0.000 2.456 659 L HA 0.096 4.436 4.340 -0.000 0.000 0.246 659 L C 1.054 177.937 176.870 0.021 0.000 1.238 659 L CA 0.317 55.179 54.840 0.037 0.000 0.826 659 L CB 0.169 42.254 42.059 0.044 0.000 1.150 659 L HN 0.285 nan 8.230 nan 0.000 0.514 660 G N 1.246 110.054 108.800 0.014 0.000 4.699 660 G HA2 0.513 4.473 3.960 -0.000 0.000 0.308 660 G HA3 0.513 4.473 3.960 -0.000 0.000 0.308 660 G C -0.467 174.435 174.900 0.003 0.000 1.399 660 G CA -0.326 44.780 45.100 0.009 0.000 1.221 660 G HN 0.215 nan 8.290 nan 0.000 0.596 661 L N 1.223 122.445 121.223 -0.002 0.000 2.307 661 L HA 0.608 4.948 4.340 -0.000 0.000 0.284 661 L C 0.321 177.176 176.870 -0.026 0.000 1.023 661 L CA -0.918 53.913 54.840 -0.015 0.000 0.810 661 L CB 1.873 43.918 42.059 -0.023 0.000 1.231 661 L HN 0.260 nan 8.230 nan 0.000 0.423 662 K N 1.032 121.413 120.400 -0.031 0.000 2.246 662 K HA 0.456 4.776 4.320 -0.000 0.000 0.239 662 K C 0.270 176.833 176.600 -0.061 0.000 1.089 662 K CA -0.854 55.408 56.287 -0.041 0.000 0.892 662 K CB 1.362 33.845 32.500 -0.028 0.000 1.334 662 K HN 0.320 nan 8.250 nan 0.000 0.507 663 E N 0.283 120.444 120.200 -0.065 0.000 2.095 663 E HA -0.211 4.139 4.350 -0.000 0.000 0.212 663 E C 1.496 178.043 176.600 -0.088 0.000 1.044 663 E CA 2.568 58.919 56.400 -0.082 0.000 0.857 663 E CB -0.516 29.142 29.700 -0.070 0.000 0.764 663 E HN 0.794 nan 8.360 nan 0.000 0.462 664 G N -0.315 108.454 108.800 -0.051 0.000 3.284 664 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.236 664 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.236 664 G C -0.385 174.511 174.900 -0.007 0.000 1.158 664 G CA -0.257 44.825 45.100 -0.030 0.000 0.774 664 G HN 0.082 nan 8.290 nan 0.000 0.545 665 D N -0.118 120.254 120.400 -0.047 0.000 2.360 665 D HA 0.340 4.980 4.640 -0.000 0.000 0.242 665 D C -0.447 175.770 176.300 -0.138 0.000 1.184 665 D CA 0.315 54.316 54.000 0.002 0.000 0.930 665 D CB 0.812 41.608 40.800 -0.008 0.000 1.161 665 D HN 0.124 nan 8.370 nan 0.000 0.447 666 Y N -0.751 119.539 120.300 -0.018 0.000 2.587 666 Y HA 0.618 5.168 4.550 -0.000 0.000 0.337 666 Y C 0.141 176.033 175.900 -0.014 0.000 1.065 666 Y CA -0.743 57.346 58.100 -0.018 0.000 1.126 666 Y CB 1.785 40.235 38.460 -0.017 0.000 1.279 666 Y HN 0.013 nan 8.280 nan 0.000 0.489 667 V N 2.696 122.676 119.914 0.110 0.000 3.147 667 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 667 V C -1.153 174.979 176.094 0.063 0.000 1.302 667 V CA -1.104 61.231 62.300 0.058 0.000 1.015 667 V CB 2.514 34.340 31.823 0.004 0.000 1.086 667 V HN 0.604 nan 8.190 nan 0.000 0.437 668 M N 3.946 123.574 119.600 0.047 0.000 2.363 668 M HA 0.574 5.054 4.480 -0.000 0.000 0.343 668 M C -0.810 175.513 176.300 0.038 0.000 1.165 668 M CA -0.365 54.960 55.300 0.042 0.000 1.046 668 M CB 1.292 33.913 32.600 0.035 0.000 1.648 668 M HN 0.358 nan 8.290 nan 0.000 0.452 669 L N 2.928 124.179 121.223 0.045 0.000 2.272 669 L HA 0.580 4.920 4.340 -0.000 0.000 0.289 669 L C -0.627 176.287 176.870 0.073 0.000 1.032 669 L CA -0.831 54.045 54.840 0.060 0.000 0.810 669 L CB 1.292 43.392 42.059 0.069 0.000 1.205 669 L HN 0.345 nan 8.230 nan 0.000 0.422 670 V N 2.855 122.817 119.914 0.081 0.000 2.448 670 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 670 V C 0.002 176.219 176.094 0.205 0.000 1.025 670 V CA -0.840 61.525 62.300 0.109 0.000 0.859 670 V CB 1.518 33.385 31.823 0.073 0.000 0.988 670 V HN 0.905 nan 8.190 nan 0.000 0.431 671 N N 3.591 122.422 118.700 0.217 0.000 2.413 671 N HA 0.176 4.916 4.740 -0.000 0.000 0.266 671 N C 1.026 176.741 175.510 0.341 0.000 1.238 671 N CA -0.705 52.517 53.050 0.286 0.000 0.972 671 N CB 0.777 39.362 38.487 0.163 0.000 1.210 671 N HN 0.637 nan 8.380 nan 0.000 0.547 672 Q N 0.095 120.040 119.800 0.242 0.000 2.308 672 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 672 Q C -0.283 175.760 176.000 0.072 0.000 0.985 672 Q CA 1.691 57.517 55.803 0.039 0.000 0.881 672 Q CB -0.423 28.258 28.738 -0.095 0.000 0.917 672 Q HN 0.652 nan 8.270 nan 0.000 0.443 673 D N 0.078 120.529 120.400 0.084 0.000 2.388 673 D HA 0.224 4.864 4.640 -0.000 0.000 0.221 673 D C 0.771 177.116 176.300 0.076 0.000 1.133 673 D CA 0.637 54.673 54.000 0.060 0.000 0.831 673 D CB 0.538 41.357 40.800 0.031 0.000 0.962 673 D HN 0.495 nan 8.370 nan 0.000 0.502 674 G N 0.516 109.384 108.800 0.112 0.000 2.212 674 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.266 674 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.266 674 G C 0.579 175.530 174.900 0.085 0.000 0.978 674 G CA 0.251 45.411 45.100 0.100 0.000 0.632 674 G HN 0.321 nan 8.290 nan 0.000 0.537 675 V N 1.164 121.129 119.914 0.084 0.000 2.529 675 V HA 0.344 4.464 4.120 -0.000 0.000 0.292 675 V C 0.820 176.963 176.094 0.082 0.000 1.028 675 V CA 0.445 62.792 62.300 0.078 0.000 1.074 675 V CB 1.253 33.124 31.823 0.079 0.000 0.958 675 V HN 0.359 nan 8.190 nan 0.000 0.481 676 K N 3.525 123.963 120.400 0.064 0.000 2.159 676 K HA 0.465 4.785 4.320 -0.000 0.000 0.266 676 K C -0.367 176.254 176.600 0.035 0.000 0.975 676 K CA -0.574 55.743 56.287 0.050 0.000 0.865 676 K CB 1.176 33.698 32.500 0.037 0.000 1.087 676 K HN 0.525 nan 8.250 nan 0.000 0.446 677 E N 1.623 121.843 120.200 0.033 0.000 2.182 677 E HA 0.190 4.540 4.350 -0.000 0.000 0.258 677 E C -0.221 176.384 176.600 0.007 0.000 0.879 677 E CA -0.460 55.946 56.400 0.010 0.000 0.754 677 E CB 1.496 31.215 29.700 0.030 0.000 1.162 677 E HN 0.839 nan 8.360 nan 0.000 0.419 678 G N 5.534 114.323 108.800 -0.019 0.000 3.227 678 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.235 678 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.235 678 G C -2.053 172.865 174.900 0.029 0.000 0.739 678 G CA -0.694 44.400 45.100 -0.010 0.000 1.073 678 G HN 0.324 nan 8.290 nan 0.000 0.352 679 P HA 0.225 nan 4.420 nan 0.000 0.263 679 P C -0.012 177.420 177.300 0.221 0.000 1.195 679 P CA 0.055 63.233 63.100 0.130 0.000 0.762 679 P CB 0.724 32.484 31.700 0.099 0.000 0.799 680 V N 3.055 123.080 119.914 0.184 0.000 2.715 680 V HA 0.511 4.630 4.120 -0.000 0.000 0.310 680 V C 0.697 176.661 176.094 -0.217 0.000 1.054 680 V CA -1.321 61.010 62.300 0.052 0.000 0.928 680 V CB 1.794 33.604 31.823 -0.021 0.000 1.007 680 V HN 0.410 nan 8.190 nan 0.000 0.437 681 R N 1.360 121.583 120.500 -0.462 0.000 2.543 681 R HA 0.514 4.854 4.340 -0.000 0.000 0.277 681 R C -0.794 175.274 176.300 -0.386 0.000 1.074 681 R CA -0.268 55.347 56.100 -0.808 0.000 1.076 681 R CB 1.268 31.175 30.300 -0.654 0.000 0.993 681 R HN 0.679 nan 8.270 nan 0.000 0.459 682 V N 4.626 124.326 119.914 -0.356 0.000 2.546 682 V HA 0.152 4.271 4.120 -0.000 0.000 0.284 682 V C 0.497 176.480 176.094 -0.185 0.000 1.050 682 V CA -0.018 62.163 62.300 -0.198 0.000 0.981 682 V CB 1.431 33.162 31.823 -0.154 0.000 0.990 682 V HN 0.622 nan 8.190 nan 0.000 0.474 683 K N 6.544 126.851 120.400 -0.156 0.000 2.679 683 K HA 0.316 4.636 4.320 -0.000 0.000 0.188 683 K C -2.175 174.292 176.600 -0.221 0.000 1.055 683 K CA -1.649 54.504 56.287 -0.223 0.000 1.006 683 K CB 1.615 33.920 32.500 -0.326 0.000 1.317 683 K HN 0.402 nan 8.250 nan 0.000 0.584 684 P HA -0.050 nan 4.420 nan 0.000 0.261 684 P C -0.306 176.873 177.300 -0.202 0.000 1.297 684 P CA 0.285 63.290 63.100 -0.158 0.000 0.757 684 P CB -0.493 31.135 31.700 -0.119 0.000 1.149 685 T N -1.781 112.615 114.554 -0.264 0.000 2.767 685 T HA 0.612 4.962 4.350 -0.000 0.000 0.284 685 T C 0.385 174.911 174.700 -0.289 0.000 0.973 685 T CA -0.880 61.053 62.100 -0.277 0.000 0.996 685 T CB 1.649 70.342 68.868 -0.291 0.000 0.927 685 T HN 0.117 nan 8.240 nan 0.000 0.456 686 A N 3.734 126.373 122.820 -0.303 0.000 2.492 686 A HA 0.491 4.811 4.320 -0.000 0.000 0.254 686 A C 0.975 178.473 177.584 -0.144 0.000 1.091 686 A CA -0.463 51.392 52.037 -0.303 0.000 0.768 686 A CB -0.121 18.620 19.000 -0.432 0.000 1.028 686 A HN 0.929 nan 8.150 nan 0.000 0.498 687 R N 1.334 121.838 120.500 0.007 0.000 2.483 687 R HA 0.170 4.510 4.340 -0.000 0.000 0.170 687 R C -1.154 175.320 176.300 0.290 0.000 0.555 687 R CA -0.014 56.147 56.100 0.101 0.000 0.781 687 R CB -0.305 30.085 30.300 0.150 0.000 1.238 687 R HN 0.709 nan 8.270 nan 0.000 0.549 688 I N 0.661 121.428 120.570 0.329 0.000 2.827 688 I HA 0.388 4.558 4.170 -0.000 0.000 0.298 688 I C -0.540 175.812 176.117 0.392 0.000 1.235 688 I CA -0.874 60.650 61.300 0.372 0.000 1.021 688 I CB 1.933 40.124 38.000 0.318 0.000 1.259 688 I HN -0.029 nan 8.210 nan 0.000 0.427 689 R N 4.393 125.086 120.500 0.321 0.000 2.863 689 R HA 0.197 4.537 4.340 -0.000 0.000 0.273 689 R C 0.403 176.842 176.300 0.232 0.000 1.057 689 R CA -0.252 55.986 56.100 0.229 0.000 1.191 689 R CB 0.307 30.698 30.300 0.153 0.000 1.104 689 R HN 0.536 nan 8.270 nan 0.000 0.519 690 K N 0.688 121.181 120.400 0.154 0.000 2.418 690 K HA -0.046 4.274 4.320 -0.000 0.000 0.195 690 K C 0.605 177.397 176.600 0.319 0.000 1.035 690 K CA 0.583 56.985 56.287 0.191 0.000 1.003 690 K CB 0.249 32.779 32.500 0.050 0.000 0.793 690 K HN 0.480 nan 8.250 nan 0.000 0.494 691 D N 0.312 120.859 120.400 0.246 0.000 2.269 691 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 691 D C 0.678 177.200 176.300 0.371 0.000 0.963 691 D CA 0.702 54.842 54.000 0.233 0.000 0.864 691 D CB 0.164 41.064 40.800 0.167 0.000 0.936 691 D HN 0.138 nan 8.370 nan 0.000 0.505 692 C N -0.505 119.028 119.300 0.388 0.000 2.973 692 C HA 0.752 5.212 4.460 -0.000 0.000 0.329 692 C C -0.026 175.109 174.990 0.242 0.000 1.327 692 C CA -0.785 58.437 59.018 0.341 0.000 1.632 692 C CB 2.681 30.564 27.740 0.238 0.000 2.098 692 C HN -0.088 nan 8.230 nan 0.000 0.469 693 V N 0.339 120.380 119.914 0.211 0.000 3.012 693 V HA 0.590 4.710 4.120 -0.000 0.000 0.307 693 V C -1.909 174.298 176.094 0.189 0.000 1.166 693 V CA -0.450 61.931 62.300 0.135 0.000 0.974 693 V CB 2.237 34.089 31.823 0.047 0.000 1.040 693 V HN 0.841 nan 8.190 nan 0.000 0.428 694 Y N 5.806 126.119 120.300 0.022 0.000 2.457 694 Y HA 0.844 5.394 4.550 -0.000 0.000 0.343 694 Y C -0.760 175.078 175.900 -0.103 0.000 0.994 694 Y CA -0.813 57.217 58.100 -0.116 0.000 1.031 694 Y CB 1.823 40.067 38.460 -0.360 0.000 1.246 694 Y HN 0.670 nan 8.280 nan 0.000 0.449 695 I N 3.094 123.221 120.570 -0.738 0.000 2.802 695 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 695 I C -1.611 174.117 176.117 -0.647 0.000 1.176 695 I CA -1.345 59.657 61.300 -0.497 0.000 1.025 695 I CB 2.023 39.931 38.000 -0.152 0.000 1.243 695 I HN 0.353 nan 8.210 nan 0.000 0.424 696 V N 3.695 123.412 119.914 -0.329 0.000 2.555 696 V HA 0.078 4.198 4.120 -0.000 0.000 0.286 696 V C 0.213 176.359 176.094 0.087 0.000 1.044 696 V CA 0.102 62.344 62.300 -0.096 0.000 1.026 696 V CB 0.440 32.327 31.823 0.106 0.000 0.981 696 V HN 0.831 nan 8.190 nan 0.000 0.480 697 H N 3.449 122.558 119.070 0.066 0.000 2.815 697 H HA 0.457 5.013 4.556 -0.000 0.000 0.350 697 H C 0.970 176.371 175.328 0.122 0.000 1.080 697 H CA 0.676 56.776 56.048 0.086 0.000 1.433 697 H CB 0.833 30.635 29.762 0.066 0.000 1.432 697 H HN 0.890 nan 8.280 nan 0.000 0.592 698 G N 2.587 110.934 108.800 -0.754 0.000 2.179 698 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 698 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 698 G C -0.282 174.348 174.900 -0.451 0.000 0.990 698 G CA 0.035 44.730 45.100 -0.676 0.000 0.646 698 G HN 0.490 nan 8.290 nan 0.000 0.517 699 F N -0.320 119.541 119.950 -0.149 0.000 2.544 699 F HA 0.616 5.143 4.527 -0.000 0.000 0.378 699 F C 1.632 177.437 175.800 0.007 0.000 1.112 699 F CA 0.368 58.342 58.000 -0.045 0.000 1.115 699 F CB 1.185 40.160 39.000 -0.042 0.000 1.436 699 F HN 0.786 nan 8.300 nan 0.000 0.496 700 G N 0.422 109.378 108.800 0.259 0.000 2.160 700 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 700 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 700 G C -0.207 174.736 174.900 0.073 0.000 1.022 700 G CA -0.479 44.682 45.100 0.103 0.000 0.741 700 G HN 0.699 nan 8.290 nan 0.000 0.508 701 H N 0.738 119.882 119.070 0.123 0.000 2.848 701 H HA 0.198 4.754 4.556 -0.000 0.000 0.341 701 H C 0.432 175.825 175.328 0.107 0.000 1.060 701 H CA 0.632 56.786 56.048 0.176 0.000 1.444 701 H CB 0.716 30.548 29.762 0.117 0.000 1.446 701 H HN 0.269 nan 8.280 nan 0.000 0.583 702 K N 1.791 122.360 120.400 0.282 0.000 2.499 702 K HA 0.534 4.854 4.320 -0.000 0.000 0.215 702 K C -0.776 176.075 176.600 0.418 0.000 1.041 702 K CA -0.704 55.769 56.287 0.311 0.000 1.031 702 K CB 1.180 33.779 32.500 0.165 0.000 1.479 702 K HN 0.533 nan 8.250 nan 0.000 0.518 703 A N 3.364 126.493 122.820 0.515 0.000 3.005 703 A HA 0.401 4.721 4.320 -0.000 0.000 0.308 703 A C -2.278 175.340 177.584 0.056 0.000 1.173 703 A CA -1.023 51.172 52.037 0.263 0.000 0.796 703 A CB 0.874 20.035 19.000 0.269 0.000 1.325 703 A HN 0.163 nan 8.150 nan 0.000 0.467 704 P HA -0.188 nan 4.420 nan 0.000 0.218 704 P C 1.313 178.508 177.300 -0.175 0.000 1.146 704 P CA 1.025 63.827 63.100 -0.496 0.000 0.820 704 P CB 0.163 31.622 31.700 -0.402 0.000 0.778 705 L N -2.637 118.536 121.223 -0.084 0.000 2.240 705 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 705 L C 1.448 178.299 176.870 -0.033 0.000 1.106 705 L CA 0.575 55.383 54.840 -0.052 0.000 0.793 705 L CB -0.571 41.459 42.059 -0.049 0.000 0.927 705 L HN -0.003 nan 8.230 nan 0.000 0.446 706 M N 0.129 119.718 119.600 -0.018 0.000 2.725 706 M HA 0.120 4.600 4.480 -0.000 0.000 0.322 706 M C 0.994 177.302 176.300 0.013 0.000 1.393 706 M CA 0.068 55.355 55.300 -0.022 0.000 1.452 706 M CB 0.680 33.238 32.600 -0.069 0.000 1.242 706 M HN 0.076 nan 8.290 nan 0.000 0.487 707 R N 1.526 122.037 120.500 0.020 0.000 2.127 707 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 707 R C 1.380 177.722 176.300 0.071 0.000 1.134 707 R CA 1.287 57.414 56.100 0.045 0.000 0.975 707 R CB -0.322 29.996 30.300 0.029 0.000 0.865 707 R HN 0.648 nan 8.270 nan 0.000 0.447 708 L N -2.974 118.285 121.223 0.059 0.000 2.607 708 L HA 0.417 4.757 4.340 -0.000 0.000 0.228 708 L C 1.741 178.640 176.870 0.048 0.000 1.123 708 L CA 0.105 54.987 54.840 0.071 0.000 0.890 708 L CB 0.221 42.339 42.059 0.097 0.000 1.103 708 L HN -0.073 nan 8.230 nan 0.000 0.468 709 A N -1.020 121.796 122.820 -0.007 0.000 2.167 709 A HA 0.051 4.371 4.320 -0.000 0.000 0.208 709 A C 0.661 178.256 177.584 0.018 0.000 1.198 709 A CA -0.087 51.894 52.037 -0.095 0.000 0.863 709 A CB -0.394 18.339 19.000 -0.445 0.000 0.904 709 A HN 0.464 nan 8.150 nan 0.000 0.484 710 H N 0.161 119.232 119.070 0.001 0.000 3.091 710 H HA 0.373 4.929 4.556 -0.000 0.000 0.289 710 H C 1.341 176.713 175.328 0.073 0.000 0.995 710 H CA 0.943 57.028 56.048 0.061 0.000 1.461 710 H CB -0.023 29.767 29.762 0.047 0.000 1.510 710 H HN 0.565 nan 8.280 nan 0.000 0.546 711 G N 4.504 113.013 108.800 -0.485 0.000 2.143 711 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.249 711 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.249 711 G C -0.049 174.801 174.900 -0.083 0.000 0.981 711 G CA 0.092 44.988 45.100 -0.339 0.000 0.665 711 G HN 0.733 nan 8.290 nan 0.000 0.528 712 R N 0.061 120.579 120.500 0.030 0.000 2.338 712 R HA 0.608 4.948 4.340 -0.000 0.000 0.317 712 R C 0.897 177.309 176.300 0.187 0.000 0.968 712 R CA -0.090 56.081 56.100 0.118 0.000 0.849 712 R CB 1.545 31.953 30.300 0.179 0.000 1.128 712 R HN 1.434 nan 8.270 nan 0.000 0.448 713 G N 1.596 110.449 108.800 0.088 0.000 2.750 713 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.228 713 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.228 713 G C -0.886 174.053 174.900 0.065 0.000 1.367 713 G CA -0.374 44.741 45.100 0.026 0.000 0.871 713 G HN 0.831 nan 8.290 nan 0.000 0.560 714 A N -0.661 122.187 122.820 0.047 0.000 2.324 714 A HA 0.851 5.171 4.320 -0.000 0.000 0.330 714 A C 0.481 178.116 177.584 0.085 0.000 1.165 714 A CA 0.910 52.975 52.037 0.048 0.000 0.813 714 A CB 1.634 20.652 19.000 0.031 0.000 1.197 714 A HN 2.270 nan 8.150 nan 0.000 0.484 715 S N 0.994 116.735 115.700 0.069 0.000 2.465 715 S HA 0.207 4.677 4.470 -0.000 0.000 0.279 715 S C 0.972 175.635 174.600 0.105 0.000 1.201 715 S CA -0.048 58.218 58.200 0.110 0.000 1.053 715 S CB 0.414 63.675 63.200 0.102 0.000 0.953 715 S HN 0.743 nan 8.310 nan 0.000 0.488 716 D N 4.555 125.016 120.400 0.102 0.000 2.117 716 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 716 D C 1.405 177.693 176.300 -0.020 0.000 0.982 716 D CA 1.026 55.044 54.000 0.030 0.000 0.828 716 D CB -0.706 40.082 40.800 -0.021 0.000 0.967 716 D HN 0.707 nan 8.370 nan 0.000 0.464 717 N N -0.460 118.240 118.700 -0.001 0.000 2.166 717 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 717 N C 1.553 176.990 175.510 -0.121 0.000 1.019 717 N CA 0.690 53.681 53.050 -0.099 0.000 0.856 717 N CB -0.170 38.257 38.487 -0.101 0.000 0.993 717 N HN 0.167 nan 8.380 nan 0.000 0.426 718 Y N 0.680 120.897 120.300 -0.138 0.000 2.497 718 Y HA 0.028 4.578 4.550 -0.000 0.000 0.292 718 Y C 1.816 177.673 175.900 -0.072 0.000 1.137 718 Y CA 0.640 58.666 58.100 -0.123 0.000 1.285 718 Y CB 0.178 38.565 38.460 -0.122 0.000 0.991 718 Y HN 0.100 nan 8.280 nan 0.000 0.556 719 L N -1.008 120.256 121.223 0.068 0.000 2.554 719 L HA 0.040 4.380 4.340 -0.000 0.000 0.225 719 L C 0.382 177.253 176.870 0.002 0.000 1.104 719 L CA 0.286 55.156 54.840 0.050 0.000 0.866 719 L CB 0.093 42.190 42.059 0.063 0.000 1.047 719 L HN -0.044 nan 8.230 nan 0.000 0.468 720 Q N -0.304 119.468 119.800 -0.048 0.000 2.844 720 Q HA 0.070 4.410 4.340 -0.000 0.000 0.235 720 Q C 1.013 176.979 176.000 -0.056 0.000 1.336 720 Q CA -0.112 55.649 55.803 -0.071 0.000 1.026 720 Q CB 0.746 29.406 28.738 -0.130 0.000 1.513 720 Q HN 0.052 nan 8.270 nan 0.000 0.577 721 T N 0.731 115.264 114.554 -0.035 0.000 2.896 721 T HA 0.024 4.374 4.350 -0.000 0.000 0.263 721 T C 0.478 175.172 174.700 -0.012 0.000 1.050 721 T CA 1.075 63.157 62.100 -0.030 0.000 1.140 721 T CB 0.309 69.165 68.868 -0.020 0.000 0.877 721 T HN 0.348 nan 8.240 nan 0.000 0.457 722 R N 0.060 120.546 120.500 -0.022 0.000 2.828 722 R HA 0.621 4.961 4.340 -0.000 0.000 0.264 722 R C -1.428 174.889 176.300 0.029 0.000 1.022 722 R CA -0.948 55.115 56.100 -0.061 0.000 1.021 722 R CB 1.348 31.585 30.300 -0.104 0.000 1.163 722 R HN 0.338 nan 8.270 nan 0.000 0.494 723 Y N -2.278 117.976 120.300 -0.077 0.000 2.558 723 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 723 Y C -1.406 174.464 175.900 -0.050 0.000 1.125 723 Y CA -1.370 56.684 58.100 -0.076 0.000 1.039 723 Y CB 1.391 39.799 38.460 -0.088 0.000 1.331 723 Y HN 0.375 nan 8.280 nan 0.000 0.456 724 K N 3.922 124.386 120.400 0.106 0.000 2.268 724 K HA 0.406 4.726 4.320 -0.000 0.000 0.276 724 K C -0.852 175.826 176.600 0.130 0.000 1.080 724 K CA -0.564 55.756 56.287 0.054 0.000 0.910 724 K CB 0.622 33.157 32.500 0.059 0.000 1.163 724 K HN 0.912 nan 8.250 nan 0.000 0.465 725 L N 3.910 125.210 121.223 0.129 0.000 2.584 725 L HA -0.023 4.317 4.340 -0.000 0.000 0.272 725 L C 0.070 176.964 176.870 0.039 0.000 1.195 725 L CA 0.221 55.141 54.840 0.134 0.000 0.920 725 L CB 0.292 42.438 42.059 0.145 0.000 1.173 725 L HN 0.753 nan 8.230 nan 0.000 0.489 726 D N 7.540 127.916 120.400 -0.040 0.000 2.371 726 D HA 0.087 4.727 4.640 -0.000 0.000 0.256 726 D C -1.507 174.767 176.300 -0.043 0.000 1.193 726 D CA -1.872 52.077 54.000 -0.085 0.000 0.881 726 D CB 1.344 42.037 40.800 -0.178 0.000 1.143 726 D HN 0.289 nan 8.370 nan 0.000 0.473 727 P HA -0.007 nan 4.420 nan 0.000 0.237 727 P C 1.287 178.694 177.300 0.178 0.000 1.178 727 P CA 0.556 63.729 63.100 0.123 0.000 0.766 727 P CB 0.565 32.327 31.700 0.103 0.000 0.876 728 I N -0.466 120.127 120.570 0.037 0.000 2.947 728 I HA 0.003 4.173 4.170 -0.000 0.000 0.263 728 I C 1.161 177.303 176.117 0.041 0.000 1.130 728 I CA 0.943 62.267 61.300 0.041 0.000 1.448 728 I CB -0.016 37.829 38.000 -0.258 0.000 1.222 728 I HN -0.023 nan 8.210 nan 0.000 0.453 729 S N 0.628 116.231 115.700 -0.163 0.000 2.257 729 S HA 0.322 4.792 4.470 -0.000 0.000 0.191 729 S C 1.245 175.549 174.600 -0.493 0.000 1.386 729 S CA 0.033 58.075 58.200 -0.264 0.000 1.233 729 S CB 0.201 63.212 63.200 -0.314 0.000 1.138 729 S HN 0.564 nan 8.310 nan 0.000 0.483 730 G N 1.675 109.838 108.800 -1.062 0.000 2.376 730 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.298 730 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.298 730 G C 0.778 175.231 174.900 -0.745 0.000 1.062 730 G CA 0.517 44.608 45.100 -1.681 0.000 0.682 730 G HN 1.281 nan 8.290 nan 0.000 0.567 731 G N -0.340 108.180 108.800 -0.467 0.000 2.380 731 G HA2 0.565 4.525 3.960 -0.000 0.000 0.242 731 G HA3 0.565 4.525 3.960 -0.000 0.000 0.242 731 G C 0.283 175.042 174.900 -0.235 0.000 1.298 731 G CA 0.490 45.393 45.100 -0.327 0.000 0.878 731 G HN 1.291 nan 8.290 nan 0.000 0.542 732 A N 2.490 125.155 122.820 -0.259 0.000 2.478 732 A HA 0.640 4.960 4.320 -0.000 0.000 0.327 732 A C 1.031 178.564 177.584 -0.086 0.000 1.431 732 A CA 0.059 51.970 52.037 -0.210 0.000 1.014 732 A CB 0.074 18.643 19.000 -0.717 0.000 1.143 732 A HN 1.345 nan 8.150 nan 0.000 0.532 733 G N 1.757 110.571 108.800 0.023 0.000 2.195 733 G HA2 0.258 4.218 3.960 -0.000 0.000 0.264 733 G HA3 0.258 4.218 3.960 -0.000 0.000 0.264 733 G C 0.676 175.598 174.900 0.036 0.000 1.148 733 G CA -0.225 44.891 45.100 0.025 0.000 1.023 733 G HN 0.752 nan 8.290 nan 0.000 0.429 734 L N 2.465 123.700 121.223 0.021 0.000 2.307 734 L HA 0.090 4.430 4.340 -0.000 0.000 0.211 734 L C 2.422 179.295 176.870 0.005 0.000 1.099 734 L CA 0.377 55.230 54.840 0.022 0.000 0.816 734 L CB -0.061 42.013 42.059 0.025 0.000 0.952 734 L HN 0.470 nan 8.230 nan 0.000 0.455 735 R N -0.111 120.337 120.500 -0.087 0.000 2.535 735 R HA 0.038 4.378 4.340 -0.000 0.000 0.233 735 R C 0.986 177.216 176.300 -0.116 0.000 1.202 735 R CA 0.004 55.990 56.100 -0.189 0.000 1.205 735 R CB 0.027 29.953 30.300 -0.624 0.000 1.153 735 R HN 0.139 nan 8.270 nan 0.000 0.512 736 V N 0.375 120.206 119.914 -0.139 0.000 3.578 736 V HA 0.050 4.170 4.120 -0.000 0.000 0.290 736 V C 0.092 175.806 176.094 -0.633 0.000 1.376 736 V CA 0.194 62.361 62.300 -0.222 0.000 1.083 736 V CB -0.015 31.778 31.823 -0.051 0.000 0.911 736 V HN 0.336 nan 8.190 nan 0.000 0.433 737 N N 0.356 118.764 118.700 -0.485 0.000 2.473 737 N HA 0.453 5.193 4.740 -0.000 0.000 0.291 737 N C -1.154 174.058 175.510 -0.497 0.000 1.083 737 N CA -0.044 52.725 53.050 -0.467 0.000 0.951 737 N CB 1.532 39.925 38.487 -0.156 0.000 1.164 737 N HN 0.155 nan 8.380 nan 0.000 0.480 738 F N 0.232 120.243 119.950 0.101 0.000 2.508 738 F HA 0.562 5.089 4.527 -0.000 0.000 0.325 738 F C 0.323 176.314 175.800 0.319 0.000 1.090 738 F CA -1.030 57.074 58.000 0.174 0.000 0.945 738 F CB 1.853 40.873 39.000 0.035 0.000 1.156 738 F HN -0.029 nan 8.300 nan 0.000 0.463 739 V N 3.116 123.400 119.914 0.616 0.000 2.925 739 V HA 0.653 4.773 4.120 -0.000 0.000 0.311 739 V C -1.134 175.187 176.094 0.379 0.000 1.104 739 V CA -0.688 61.902 62.300 0.484 0.000 0.954 739 V CB 2.460 34.456 31.823 0.289 0.000 1.022 739 V HN 0.875 nan 8.190 nan 0.000 0.427 740 R N 5.444 125.979 120.500 0.059 0.000 2.854 740 R HA 0.782 5.121 4.340 -0.000 0.000 0.271 740 R C -1.814 174.472 176.300 -0.023 0.000 0.994 740 R CA -0.912 55.097 56.100 -0.152 0.000 0.945 740 R CB 1.828 31.660 30.300 -0.780 0.000 1.194 740 R HN 0.580 nan 8.270 nan 0.000 0.476 741 L N 0.705 121.938 121.223 0.018 0.000 2.307 741 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 741 L C -0.277 176.591 176.870 -0.003 0.000 1.023 741 L CA -0.772 54.078 54.840 0.016 0.000 0.810 741 L CB 1.462 43.531 42.059 0.017 0.000 1.231 741 L HN 0.776 nan 8.230 nan 0.000 0.423 742 E N 3.020 123.222 120.200 0.003 0.000 2.191 742 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 742 E C -0.796 175.815 176.600 0.018 0.000 0.881 742 E CA -0.935 55.468 56.400 0.004 0.000 0.757 742 E CB 1.539 31.241 29.700 0.004 0.000 1.147 742 E HN 0.325 nan 8.360 nan 0.000 0.414 743 K N 2.166 122.576 120.400 0.018 0.000 2.511 743 K HA 0.122 4.442 4.320 -0.000 0.000 0.280 743 K C -0.870 175.752 176.600 0.037 0.000 1.008 743 K CA 0.426 56.729 56.287 0.028 0.000 1.050 743 K CB 0.742 33.255 32.500 0.022 0.000 0.889 743 K HN 0.585 nan 8.250 nan 0.000 0.484 744 A N 3.841 126.696 122.820 0.058 0.000 2.532 744 A HA 0.519 4.838 4.320 -0.000 0.000 0.290 744 A C -0.797 176.827 177.584 0.067 0.000 1.143 744 A CA -0.723 51.349 52.037 0.059 0.000 0.728 744 A CB 0.870 19.913 19.000 0.072 0.000 1.317 744 A HN 0.613 nan 8.150 nan 0.000 0.414 745 E N 0.871 121.087 120.200 0.027 0.000 2.343 745 E HA 0.223 4.573 4.350 -0.000 0.000 0.269 745 E C 0.190 176.740 176.600 -0.084 0.000 1.047 745 E CA -0.462 55.932 56.400 -0.009 0.000 0.874 745 E CB 0.961 30.641 29.700 -0.033 0.000 1.033 745 E HN 0.652 nan 8.360 nan 0.000 0.409 746 R N 2.880 123.292 120.500 -0.147 0.000 2.640 746 R HA 0.075 4.415 4.340 -0.000 0.000 0.270 746 R C -2.080 173.976 176.300 -0.408 0.000 1.024 746 R CA -0.718 55.101 56.100 -0.468 0.000 1.085 746 R CB 0.032 30.163 30.300 -0.282 0.000 0.963 746 R HN 0.178 nan 8.270 nan 0.000 0.426 747 P HA 0.196 nan 4.420 nan 0.000 0.281 747 P C -1.249 175.938 177.300 -0.188 0.000 1.249 747 P CA -0.469 62.463 63.100 -0.280 0.000 0.810 747 P CB 0.950 32.501 31.700 -0.248 0.000 1.008 748 R N 1.876 122.310 120.500 -0.110 0.000 2.246 748 R HA 0.600 4.940 4.340 -0.000 0.000 0.332 748 R C -0.276 175.998 176.300 -0.044 0.000 0.974 748 R CA -0.461 55.597 56.100 -0.070 0.000 0.837 748 R CB 0.648 30.917 30.300 -0.051 0.000 1.145 748 R HN 0.461 nan 8.270 nan 0.000 0.467 749 L N 2.696 123.898 121.223 -0.034 0.000 2.309 749 L HA 0.649 4.989 4.340 -0.000 0.000 0.261 749 L C -1.889 174.984 176.870 0.006 0.000 1.021 749 L CA -2.223 52.612 54.840 -0.008 0.000 0.823 749 L CB 1.533 43.587 42.059 -0.007 0.000 1.366 749 L HN 0.412 nan 8.230 nan 0.000 0.423 750 P HA 0.144 nan 4.420 nan 0.000 0.273 750 P C -0.847 176.465 177.300 0.020 0.000 1.250 750 P CA -0.551 62.562 63.100 0.022 0.000 0.793 750 P CB 0.568 32.288 31.700 0.032 0.000 1.011 751 S N 0.135 115.844 115.700 0.014 0.000 2.505 751 S HA 0.125 4.595 4.470 -0.000 0.000 0.276 751 S C 1.202 175.813 174.600 0.018 0.000 1.274 751 S CA -0.574 57.634 58.200 0.012 0.000 1.053 751 S CB -0.442 62.759 63.200 0.002 0.000 0.919 751 S HN 0.410 nan 8.310 nan 0.000 0.490 752 L N 4.291 125.533 121.223 0.032 0.000 2.093 752 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 752 L C 2.600 179.477 176.870 0.012 0.000 1.085 752 L CA 1.385 56.253 54.840 0.046 0.000 0.755 752 L CB -0.709 41.398 42.059 0.080 0.000 0.904 752 L HN 0.716 nan 8.230 nan 0.000 0.435 753 T N -0.745 113.803 114.554 -0.010 0.000 2.777 753 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 753 T C 1.760 176.405 174.700 -0.092 0.000 1.040 753 T CA 1.203 63.265 62.100 -0.064 0.000 1.141 753 T CB -0.506 68.334 68.868 -0.046 0.000 0.868 753 T HN 0.557 nan 8.240 nan 0.000 0.444 754 G N 1.646 110.414 108.800 -0.052 0.000 2.514 754 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 754 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 754 G C 1.488 176.354 174.900 -0.056 0.000 1.198 754 G CA 0.740 45.810 45.100 -0.049 0.000 0.780 754 G HN 0.435 nan 8.290 nan 0.000 0.565 755 L N 0.808 122.011 121.223 -0.033 0.000 1.989 755 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 755 L C 3.441 180.275 176.870 -0.060 0.000 1.071 755 L CA 1.180 56.010 54.840 -0.018 0.000 0.749 755 L CB -0.521 41.551 42.059 0.022 0.000 0.890 755 L HN 0.307 nan 8.230 nan 0.000 0.431 756 A N -0.180 122.569 122.820 -0.118 0.000 2.032 756 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 756 A C 2.209 179.467 177.584 -0.544 0.000 1.165 756 A CA 1.695 53.515 52.037 -0.361 0.000 0.645 756 A CB -0.410 18.313 19.000 -0.462 0.000 0.807 756 A HN 0.374 nan 8.150 nan 0.000 0.453 757 K N -0.604 119.604 120.400 -0.321 0.000 2.459 757 K HA 0.049 4.368 4.320 -0.000 0.000 0.193 757 K C 0.131 176.658 176.600 -0.122 0.000 1.030 757 K CA -0.141 55.996 56.287 -0.250 0.000 1.026 757 K CB 0.084 32.481 32.500 -0.171 0.000 0.809 757 K HN 0.369 nan 8.250 nan 0.000 0.504 758 R N 2.103 122.561 120.500 -0.070 0.000 2.502 758 R HA 0.006 4.346 4.340 -0.000 0.000 0.292 758 R C -2.383 173.946 176.300 0.048 0.000 0.998 758 R CA -0.990 55.111 56.100 0.001 0.000 1.056 758 R CB -0.241 30.078 30.300 0.032 0.000 0.939 758 R HN -0.019 nan 8.270 nan 0.000 0.411 759 P HA -0.045 nan 4.420 nan 0.000 0.271 759 P C -1.012 176.403 177.300 0.190 0.000 1.218 759 P CA -0.225 62.938 63.100 0.105 0.000 0.780 759 P CB 0.421 32.156 31.700 0.059 0.000 0.901 760 F N 2.439 122.446 119.950 0.096 0.000 2.411 760 F HA 0.320 4.847 4.527 -0.000 0.000 0.355 760 F C -0.154 175.716 175.800 0.115 0.000 1.117 760 F CA -0.595 57.486 58.000 0.136 0.000 1.139 760 F CB 0.474 39.588 39.000 0.191 0.000 1.120 760 F HN 0.157 nan 8.300 nan 0.000 0.493 761 D N 4.744 124.853 120.400 -0.485 0.000 2.440 761 D HA 0.182 4.822 4.640 -0.000 0.000 0.239 761 D C 0.030 176.011 176.300 -0.531 0.000 1.084 761 D CA -0.363 53.404 54.000 -0.389 0.000 0.843 761 D CB 0.985 41.694 40.800 -0.150 0.000 1.097 761 D HN 0.688 nan 8.370 nan 0.000 0.531 762 E N 3.282 123.174 120.200 -0.514 0.000 2.438 762 E HA 0.077 4.427 4.350 -0.000 0.000 0.192 762 E C 0.664 177.123 176.600 -0.234 0.000 1.110 762 E CA -0.248 55.843 56.400 -0.515 0.000 0.893 762 E CB -0.070 29.384 29.700 -0.411 0.000 0.990 762 E HN 0.390 nan 8.360 nan 0.000 0.490 763 R N -0.536 119.920 120.500 -0.072 0.000 3.853 763 R HA -0.310 4.030 4.340 -0.000 0.000 0.440 763 R C 0.629 176.909 176.300 -0.033 0.000 0.241 763 R CA 2.258 58.356 56.100 -0.003 0.000 1.395 763 R CB -1.213 29.150 30.300 0.105 0.000 0.984 763 R HN 0.455 nan 8.270 nan 0.000 0.570 764 R N 0.000 120.494 120.500 -0.009 0.000 2.786 764 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 764 R CA 0.000 nan 56.100 nan 0.000 0.921 764 R CB 0.000 nan 30.300 nan 0.000 0.687 764 R HN 0.000 nan 8.270 nan 0.000 0.535