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 2vf7_1_C DATA FIRST_RESID 10 DATA SEQUENCE FPDGGFVQVR GARQHNLKDI SVKVPRDALV VFTGVSGSGK SSLAFGTLYA DATA SEQUENCE EAQRRYLESV SPYARRLFNQ AGVPDVDAID GLPPAVALQQ ARGTPTARSS DATA SEQUENCE VGSVTTLSNL LRMLYSRAGD YPPGQGIVYA EGFSPNTPEG ACPECHGLGR DATA SEQUENCE VYTVTEDSMV PDPSLTIRER AVAAWPQAWG GQNQRDILVT LGIDVDVPWR DATA SEQUENCE ELPEETRHWI LFTDEQPVVP VYPGLTPAET QRALKKKMEP SYMGTFSSAR DATA SEQUENCE RHVLHTFANT ESASMKKRVQ GYMISEECPL CHGKRLRQEA LNVTFAGLDI DATA SEQUENCE TELSRLPLAR VSELLRPYAE EREPGHAERV KNRPEQAIAL QRMAADLVKR DATA SEQUENCE LDVLLHLGLG YLGLDRSTPT LSPGELQRLR LATQLYSNLF GVVYVLDEPS DATA SEQUENCE AGLHPADTEA LLSALENLKR GGNSLFVVEH DLDVIRRADW LVDVGPEAGE DATA SEQUENCE KGGEILYSGP PEGLKHVPES QTGQYLFADR HTEPHTPREP AGWLELNGVT DATA SEQUENCE RNNLDNLDVR FPLGVMTSVT GVSGSGKSTL VSQALVDALA AHFXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGSARLGGD LAQITRLVRV DQKPIGRTPR SNMATYTGLF DATA SEQUENCE DQVRKLFAAT PLAKKRGYNA GRFSFNVKGG RCEHCQGEGW VMVELLFLPS DATA SEQUENCE VYAPCPVCHG TRYNAETLEV EYRGKNIADV LALTVDEAHD FFADESAIFR DATA SEQUENCE ALDTLREVGL GYLRLGQPAT ELSGGEAQRI KLATELRRSG RGGTVYVLDE DATA SEQUENCE PTTGLHPADV ERLQRQLVKL VDAGNTVIAV EHKMQVVAAS DWVLDIGPGA DATA SEQUENCE GEDGGRLVAQ GTPAEVAQAA GSVTAPYLRA ALR 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 10 F HA 0.000 nan 4.527 nan 0.000 0.279 10 F C 0.000 175.742 175.800 -0.097 0.000 0.967 10 F CA 0.000 57.860 58.000 -0.233 0.000 1.383 10 F CB 0.000 38.751 39.000 -0.416 0.000 1.145 11 P HA 0.285 nan 4.420 nan 0.000 0.313 11 P C -1.020 176.423 177.300 0.239 0.000 1.419 11 P CA 0.197 63.360 63.100 0.104 0.000 0.842 11 P CB 0.578 32.302 31.700 0.041 0.000 2.041 12 D N -1.908 118.611 120.400 0.197 0.000 2.479 12 D HA 0.425 5.065 4.640 0.000 0.000 0.246 12 D C 0.227 176.633 176.300 0.178 0.000 1.336 12 D CA -0.245 53.909 54.000 0.257 0.000 0.967 12 D CB 1.264 42.162 40.800 0.164 0.000 1.275 12 D HN 0.760 nan 8.370 nan 0.000 0.577 13 G N 1.196 110.137 108.800 0.236 0.000 2.159 13 G HA2 -0.113 3.847 3.960 0.000 0.000 0.170 13 G HA3 -0.113 3.847 3.960 0.000 0.000 0.170 13 G C 0.696 175.641 174.900 0.075 0.000 1.007 13 G CA -0.194 44.986 45.100 0.134 0.000 0.672 13 G HN 0.817 nan 8.290 nan 0.000 0.507 14 G N -0.291 108.525 108.800 0.027 0.000 3.774 14 G HA2 0.531 4.491 3.960 0.000 0.000 0.287 14 G HA3 0.531 4.491 3.960 0.000 0.000 0.287 14 G C -0.083 174.601 174.900 -0.360 0.000 1.030 14 G CA -0.445 44.552 45.100 -0.172 0.000 0.824 14 G HN 0.281 nan 8.290 nan 0.000 0.518 15 F N 0.599 120.499 119.950 -0.083 0.000 2.443 15 F HA 0.492 5.019 4.527 0.000 0.000 0.335 15 F C 0.411 176.163 175.800 -0.079 0.000 1.104 15 F CA -1.028 56.890 58.000 -0.137 0.000 1.013 15 F CB 2.085 40.983 39.000 -0.171 0.000 1.136 15 F HN -0.233 nan 8.300 nan 0.000 0.470 16 V N 2.315 122.290 119.914 0.101 0.000 2.686 16 V HA 0.219 4.339 4.120 0.000 0.000 0.295 16 V C -0.329 175.813 176.094 0.081 0.000 1.055 16 V CA -0.388 61.968 62.300 0.094 0.000 1.050 16 V CB 1.256 33.162 31.823 0.139 0.000 0.984 16 V HN 0.709 nan 8.190 nan 0.000 0.482 17 Q N 3.249 123.082 119.800 0.055 0.000 2.394 17 Q HA 0.483 4.823 4.340 0.000 0.000 0.261 17 Q C -1.262 174.750 176.000 0.020 0.000 1.023 17 Q CA -0.202 55.616 55.803 0.026 0.000 0.720 17 Q CB 1.727 30.474 28.738 0.015 0.000 1.241 17 Q HN 0.617 nan 8.270 nan 0.000 0.483 18 V N 4.302 124.226 119.914 0.016 0.000 2.465 18 V HA 0.577 4.697 4.120 0.000 0.000 0.279 18 V C -0.067 176.031 176.094 0.007 0.000 1.045 18 V CA -0.445 61.865 62.300 0.017 0.000 0.938 18 V CB 1.489 33.327 31.823 0.026 0.000 0.986 18 V HN 0.668 nan 8.190 nan 0.000 0.467 19 R N 2.700 123.204 120.500 0.007 0.000 2.574 19 R HA 0.564 4.904 4.340 0.000 0.000 0.288 19 R C 0.461 176.764 176.300 0.004 0.000 1.004 19 R CA 0.215 56.316 56.100 0.002 0.000 0.895 19 R CB 1.752 32.051 30.300 -0.002 0.000 1.191 19 R HN 1.026 nan 8.270 nan 0.000 0.444 20 G N 2.098 110.900 108.800 0.004 0.000 2.225 20 G HA2 -0.257 3.703 3.960 0.000 0.000 0.264 20 G HA3 -0.257 3.703 3.960 0.000 0.000 0.264 20 G C -0.181 174.723 174.900 0.007 0.000 1.060 20 G CA 0.210 45.313 45.100 0.005 0.000 0.833 20 G HN 0.766 nan 8.290 nan 0.000 0.498 21 A N -0.216 122.611 122.820 0.010 0.000 2.350 21 A HA 0.742 5.062 4.320 0.000 0.000 0.293 21 A C 1.108 178.699 177.584 0.012 0.000 1.231 21 A CA 0.018 52.062 52.037 0.011 0.000 0.883 21 A CB 0.296 19.307 19.000 0.018 0.000 1.133 21 A HN 0.531 nan 8.150 nan 0.000 0.533 22 R N 1.049 121.551 120.500 0.004 0.000 2.535 22 R HA 0.087 4.427 4.340 0.000 0.000 0.323 22 R C 0.144 176.443 176.300 -0.002 0.000 0.979 22 R CA -0.217 55.889 56.100 0.009 0.000 1.120 22 R CB 0.402 30.709 30.300 0.011 0.000 1.306 22 R HN 0.846 nan 8.270 nan 0.000 0.540 23 Q N 0.992 120.766 119.800 -0.043 0.000 2.300 23 Q HA -0.040 4.300 4.340 0.000 0.000 0.280 23 Q C -0.165 175.777 176.000 -0.095 0.000 1.033 23 Q CA 1.141 56.853 55.803 -0.153 0.000 0.903 23 Q CB 0.087 28.674 28.738 -0.251 0.000 1.195 23 Q HN 0.309 nan 8.270 nan 0.000 0.386 24 H N 1.317 120.423 119.070 0.060 0.000 1.452 24 H HA -0.354 4.202 4.556 0.000 0.000 0.090 24 H C 0.475 175.834 175.328 0.051 0.000 0.629 24 H CA 1.209 57.292 56.048 0.059 0.000 1.901 24 H CB -1.040 28.758 29.762 0.060 0.000 2.257 24 H HN 0.896 nan 8.280 nan 0.000 0.961 25 N N 2.383 121.207 118.700 0.206 0.000 2.336 25 N HA 0.039 4.779 4.740 0.000 0.000 0.189 25 N C -0.218 175.339 175.510 0.079 0.000 1.113 25 N CA 0.129 53.246 53.050 0.112 0.000 0.858 25 N CB 0.192 38.727 38.487 0.080 0.000 0.970 25 N HN 0.205 nan 8.380 nan 0.000 0.471 26 L N 1.409 122.680 121.223 0.081 0.000 2.601 26 L HA 0.006 4.346 4.340 0.000 0.000 0.277 26 L C 0.783 177.679 176.870 0.043 0.000 1.219 26 L CA 0.659 55.532 54.840 0.056 0.000 0.915 26 L CB -0.041 42.046 42.059 0.047 0.000 1.160 26 L HN 0.033 nan 8.230 nan 0.000 0.494 27 K N 2.625 123.047 120.400 0.036 0.000 3.192 27 K HA 0.077 4.397 4.320 0.000 0.000 0.269 27 K C -0.093 176.521 176.600 0.023 0.000 1.270 27 K CA 0.060 56.365 56.287 0.029 0.000 1.249 27 K CB -0.602 31.913 32.500 0.026 0.000 1.528 27 K HN 0.480 nan 8.250 nan 0.000 0.360 28 D N 0.688 121.101 120.400 0.022 0.000 2.705 28 D HA -0.189 4.451 4.640 0.000 0.000 0.240 28 D C -0.605 175.703 176.300 0.014 0.000 1.137 28 D CA 0.609 54.619 54.000 0.016 0.000 0.677 28 D CB -1.065 39.743 40.800 0.013 0.000 1.049 28 D HN 0.455 nan 8.370 nan 0.000 0.427 29 I N -2.587 117.993 120.570 0.017 0.000 2.783 29 I HA 0.681 4.851 4.170 0.000 0.000 0.312 29 I C 0.063 176.187 176.117 0.012 0.000 0.988 29 I CA -0.382 60.927 61.300 0.016 0.000 1.182 29 I CB 2.066 40.081 38.000 0.025 0.000 1.368 29 I HN -0.054 nan 8.210 nan 0.000 0.511 30 S N 2.847 118.551 115.700 0.006 0.000 2.594 30 S HA 0.805 5.275 4.470 0.000 0.000 0.296 30 S C -0.687 173.910 174.600 -0.004 0.000 1.124 30 S CA -0.638 57.561 58.200 -0.000 0.000 1.011 30 S CB 1.631 64.825 63.200 -0.010 0.000 1.016 30 S HN 0.603 nan 8.310 nan 0.000 0.485 31 V N 1.875 121.789 119.914 -0.000 0.000 2.962 31 V HA 0.685 4.805 4.120 0.000 0.000 0.313 31 V C -0.665 175.422 176.094 -0.012 0.000 1.099 31 V CA -1.210 61.088 62.300 -0.003 0.000 0.971 31 V CB 1.994 33.826 31.823 0.014 0.000 1.028 31 V HN 0.896 nan 8.190 nan 0.000 0.430 32 K N 1.965 122.354 120.400 -0.018 0.000 2.292 32 K HA 0.875 5.195 4.320 0.000 0.000 0.257 32 K C -1.243 175.346 176.600 -0.018 0.000 0.940 32 K CA -0.655 55.614 56.287 -0.030 0.000 0.811 32 K CB 2.393 34.794 32.500 -0.164 0.000 1.120 32 K HN 0.807 nan 8.250 nan 0.000 0.428 33 V N -0.963 118.904 119.914 -0.078 0.000 2.709 33 V HA 0.588 4.708 4.120 0.000 0.000 0.308 33 V C -2.775 173.077 176.094 -0.404 0.000 1.062 33 V CA -2.559 59.513 62.300 -0.379 0.000 0.901 33 V CB 1.440 33.050 31.823 -0.355 0.000 1.003 33 V HN 0.773 nan 8.190 nan 0.000 0.425 34 P HA 0.332 nan 4.420 nan 0.000 0.280 34 P C -0.410 176.710 177.300 -0.300 0.000 1.244 34 P CA -0.276 62.324 63.100 -0.833 0.000 0.784 34 P CB 1.199 32.258 31.700 -1.068 0.000 0.913 35 R N 1.841 122.195 120.500 -0.243 0.000 2.726 35 R HA 0.056 4.396 4.340 0.000 0.000 0.272 35 R C 0.189 176.425 176.300 -0.107 0.000 1.097 35 R CA -0.013 56.014 56.100 -0.122 0.000 1.198 35 R CB -0.110 30.110 30.300 -0.135 0.000 1.114 35 R HN 0.518 nan 8.270 nan 0.000 0.550 36 D N -0.986 119.354 120.400 -0.100 0.000 2.708 36 D HA -0.212 4.428 4.640 0.000 0.000 0.236 36 D C -1.287 175.006 176.300 -0.011 0.000 1.146 36 D CA 1.546 55.498 54.000 -0.080 0.000 0.662 36 D CB -0.874 39.869 40.800 -0.094 0.000 1.059 36 D HN 0.588 nan 8.370 nan 0.000 0.428 37 A N -0.455 122.386 122.820 0.036 0.000 2.609 37 A HA 0.647 4.967 4.320 0.000 0.000 0.291 37 A C -0.983 176.685 177.584 0.139 0.000 1.096 37 A CA -0.845 51.264 52.037 0.120 0.000 0.684 37 A CB 1.384 20.515 19.000 0.219 0.000 1.282 37 A HN 0.123 nan 8.150 nan 0.000 0.412 38 L N 1.785 123.106 121.223 0.162 0.000 2.385 38 L HA 0.512 4.852 4.340 0.000 0.000 0.285 38 L C -0.749 176.254 176.870 0.220 0.000 1.125 38 L CA 0.183 55.126 54.840 0.173 0.000 0.890 38 L CB 0.132 42.270 42.059 0.133 0.000 1.251 38 L HN 0.391 nan 8.230 nan 0.000 0.445 39 V N 5.659 125.735 119.914 0.270 0.000 2.472 39 V HA 0.498 4.618 4.120 0.000 0.000 0.290 39 V C -0.064 176.159 176.094 0.214 0.000 1.037 39 V CA -0.659 61.781 62.300 0.234 0.000 0.908 39 V CB 1.714 33.663 31.823 0.209 0.000 0.985 39 V HN 0.407 nan 8.190 nan 0.000 0.454 40 V N 4.962 124.918 119.914 0.069 0.000 2.540 40 V HA 0.498 4.618 4.120 0.000 0.000 0.302 40 V C -0.806 175.241 176.094 -0.079 0.000 1.035 40 V CA -0.495 61.861 62.300 0.093 0.000 0.873 40 V CB 1.758 33.626 31.823 0.075 0.000 0.992 40 V HN 0.697 nan 8.190 nan 0.000 0.428 41 F N 3.324 123.283 119.950 0.015 0.000 2.361 41 F HA 0.535 5.062 4.527 0.000 0.000 0.364 41 F C 0.895 176.692 175.800 -0.005 0.000 1.120 41 F CA -0.440 57.562 58.000 0.003 0.000 1.102 41 F CB 1.652 40.646 39.000 -0.011 0.000 1.183 41 F HN 0.544 nan 8.300 nan 0.000 0.476 42 T N 0.213 114.838 114.554 0.119 0.000 2.950 42 T HA 0.968 5.318 4.350 0.000 0.000 0.288 42 T C -0.024 174.775 174.700 0.165 0.000 1.035 42 T CA -0.774 61.393 62.100 0.113 0.000 1.028 42 T CB 1.978 70.904 68.868 0.096 0.000 1.109 42 T HN 1.008 nan 8.240 nan 0.000 0.514 43 G N -0.108 108.848 108.800 0.260 0.000 2.347 43 G HA2 0.365 4.325 3.960 0.000 0.000 0.321 43 G HA3 0.365 4.325 3.960 0.000 0.000 0.321 43 G C -1.153 173.947 174.900 0.333 0.000 1.412 43 G CA -0.646 44.593 45.100 0.233 0.000 0.990 43 G HN 0.862 nan 8.290 nan 0.000 0.637 44 V N 0.828 120.770 119.914 0.046 0.000 3.051 44 V HA 0.490 4.610 4.120 0.000 0.000 0.306 44 V C 1.556 177.674 176.094 0.040 0.000 1.083 44 V CA 0.440 62.711 62.300 -0.048 0.000 1.104 44 V CB 1.546 33.249 31.823 -0.200 0.000 1.027 44 V HN 1.623 nan 8.190 nan 0.000 0.483 45 S N 2.546 118.265 115.700 0.032 0.000 2.549 45 S HA 0.447 4.917 4.470 0.000 0.000 0.283 45 S C 1.090 175.557 174.600 -0.223 0.000 1.320 45 S CA 0.147 58.357 58.200 0.016 0.000 1.058 45 S CB 0.728 63.966 63.200 0.063 0.000 0.882 45 S HN 2.186 nan 8.310 nan 0.000 0.498 46 G N 2.278 110.897 108.800 -0.303 0.000 2.175 46 G HA2 -0.349 3.611 3.960 0.000 0.000 0.244 46 G HA3 -0.349 3.611 3.960 0.000 0.000 0.244 46 G C 1.089 175.747 174.900 -0.402 0.000 0.982 46 G CA 0.840 45.498 45.100 -0.738 0.000 0.641 46 G HN 1.712 nan 8.290 nan 0.000 0.527 47 S N -0.536 115.049 115.700 -0.192 0.000 2.382 47 S HA 0.338 4.808 4.470 0.000 0.000 0.228 47 S C 2.264 176.851 174.600 -0.021 0.000 1.027 47 S CA 2.071 60.219 58.200 -0.087 0.000 0.991 47 S CB -0.070 63.117 63.200 -0.023 0.000 0.823 47 S HN 2.393 nan 8.310 nan 0.000 0.469 48 G N 1.387 110.198 108.800 0.019 0.000 2.370 48 G HA2 -0.175 3.785 3.960 0.000 0.000 0.174 48 G HA3 -0.175 3.785 3.960 0.000 0.000 0.174 48 G C 0.734 175.699 174.900 0.109 0.000 1.002 48 G CA 0.219 45.363 45.100 0.073 0.000 0.730 48 G HN 0.646 nan 8.290 nan 0.000 0.497 49 K N 0.547 121.017 120.400 0.116 0.000 2.097 49 K HA 0.085 4.405 4.320 0.000 0.000 0.206 49 K C 2.161 178.833 176.600 0.121 0.000 1.049 49 K CA 1.890 58.272 56.287 0.159 0.000 0.933 49 K CB -0.337 32.273 32.500 0.184 0.000 0.717 49 K HN 0.151 nan 8.250 nan 0.000 0.442 50 S N 1.007 116.786 115.700 0.131 0.000 2.406 50 S HA -0.038 4.432 4.470 0.000 0.000 0.228 50 S C 1.956 176.681 174.600 0.208 0.000 1.020 50 S CA 1.152 59.463 58.200 0.185 0.000 0.965 50 S CB -0.163 63.100 63.200 0.106 0.000 0.798 50 S HN 0.369 nan 8.310 nan 0.000 0.488 51 S N 1.383 117.197 115.700 0.190 0.000 2.442 51 S HA -0.005 4.465 4.470 0.000 0.000 0.236 51 S C 1.628 176.283 174.600 0.092 0.000 1.007 51 S CA 0.648 58.965 58.200 0.196 0.000 0.965 51 S CB -0.197 63.156 63.200 0.254 0.000 0.773 51 S HN 0.335 nan 8.310 nan 0.000 0.504 52 L N 1.578 122.842 121.223 0.068 0.000 2.121 52 L HA 0.329 4.669 4.340 0.000 0.000 0.200 52 L C 2.351 179.157 176.870 -0.107 0.000 1.077 52 L CA 1.662 56.512 54.840 0.017 0.000 0.766 52 L CB -1.254 40.859 42.059 0.090 0.000 0.931 52 L HN 0.167 nan 8.230 nan 0.000 0.452 53 A N -1.002 121.613 122.820 -0.341 0.000 1.908 53 A HA -0.179 4.141 4.320 0.000 0.000 0.218 53 A C 1.999 179.352 177.584 -0.386 0.000 1.181 53 A CA 2.300 53.935 52.037 -0.670 0.000 0.627 53 A CB -0.873 17.472 19.000 -1.091 0.000 0.818 53 A HN 0.496 nan 8.150 nan 0.000 0.445 54 F N -1.132 118.778 119.950 -0.067 0.000 2.419 54 F HA 0.232 4.759 4.527 0.000 0.000 0.283 54 F C 2.633 178.504 175.800 0.118 0.000 1.044 54 F CA 0.646 58.688 58.000 0.070 0.000 1.376 54 F CB -0.739 38.270 39.000 0.015 0.000 1.131 54 F HN 0.242 nan 8.300 nan 0.000 0.585 55 G N -0.690 108.261 108.800 0.252 0.000 2.443 55 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 55 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 55 G C 1.633 176.568 174.900 0.057 0.000 1.131 55 G CA 1.702 46.881 45.100 0.131 0.000 0.775 55 G HN 0.414 nan 8.290 nan 0.000 0.547 56 T N -2.020 112.563 114.554 0.048 0.000 3.151 56 T HA 0.222 4.572 4.350 0.000 0.000 0.239 56 T C 2.353 177.075 174.700 0.036 0.000 0.979 56 T CA 0.209 62.325 62.100 0.026 0.000 1.194 56 T CB -0.293 68.582 68.868 0.012 0.000 0.982 56 T HN 0.063 nan 8.240 nan 0.000 0.428 57 L N -0.411 120.833 121.223 0.035 0.000 2.023 57 L HA 0.137 4.477 4.340 0.000 0.000 0.205 57 L C 2.654 179.563 176.870 0.063 0.000 1.073 57 L CA 1.678 56.553 54.840 0.059 0.000 0.745 57 L CB -0.664 41.446 42.059 0.085 0.000 0.900 57 L HN 0.273 nan 8.230 nan 0.000 0.435 58 Y N 0.752 121.015 120.300 -0.061 0.000 2.145 58 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 58 Y C 2.429 178.335 175.900 0.011 0.000 1.145 58 Y CA 1.386 59.447 58.100 -0.064 0.000 1.148 58 Y CB -0.320 38.065 38.460 -0.124 0.000 0.981 58 Y HN 0.109 nan 8.280 nan 0.000 0.507 59 A N -0.400 122.411 122.820 -0.014 0.000 1.969 59 A HA -0.150 4.170 4.320 0.000 0.000 0.218 59 A C 2.069 179.614 177.584 -0.065 0.000 1.169 59 A CA 1.751 53.757 52.037 -0.051 0.000 0.635 59 A CB -0.655 18.402 19.000 0.096 0.000 0.810 59 A HN 0.521 nan 8.150 nan 0.000 0.445 60 E N 0.185 120.362 120.200 -0.039 0.000 2.072 60 E HA 0.051 4.401 4.350 0.000 0.000 0.190 60 E C 2.027 178.603 176.600 -0.039 0.000 0.982 60 E CA 1.266 57.657 56.400 -0.016 0.000 0.803 60 E CB -0.438 29.264 29.700 0.003 0.000 0.755 60 E HN 0.435 nan 8.360 nan 0.000 0.453 61 A N 0.594 123.358 122.820 -0.092 0.000 1.940 61 A HA -0.238 4.082 4.320 0.000 0.000 0.219 61 A C 2.105 179.622 177.584 -0.112 0.000 1.176 61 A CA 1.726 53.698 52.037 -0.108 0.000 0.631 61 A CB -0.459 18.444 19.000 -0.162 0.000 0.814 61 A HN 0.280 nan 8.150 nan 0.000 0.446 62 Q N -1.155 118.519 119.800 -0.210 0.000 2.123 62 Q HA -0.050 4.290 4.340 0.000 0.000 0.196 62 Q C 2.343 178.337 176.000 -0.010 0.000 0.958 62 Q CA 0.784 56.483 55.803 -0.174 0.000 0.841 62 Q CB -0.282 28.232 28.738 -0.373 0.000 0.915 62 Q HN 0.682 nan 8.270 nan 0.000 0.455 63 R N 1.160 121.694 120.500 0.057 0.000 2.097 63 R HA -0.155 4.185 4.340 0.000 0.000 0.236 63 R C 2.333 178.720 176.300 0.145 0.000 1.135 63 R CA 1.649 57.882 56.100 0.222 0.000 0.934 63 R CB -0.054 30.356 30.300 0.182 0.000 0.846 63 R HN 0.152 nan 8.270 nan 0.000 0.431 64 R N -1.166 119.383 120.500 0.081 0.000 2.103 64 R HA -0.225 4.115 4.340 0.000 0.000 0.242 64 R C 2.272 178.617 176.300 0.075 0.000 1.142 64 R CA 2.040 58.177 56.100 0.061 0.000 0.960 64 R CB -0.515 29.812 30.300 0.046 0.000 0.858 64 R HN 0.362 nan 8.270 nan 0.000 0.439 65 Y N 1.256 121.536 120.300 -0.033 0.000 2.153 65 Y HA -0.091 4.459 4.550 0.000 0.000 0.289 65 Y C 2.014 177.899 175.900 -0.025 0.000 1.127 65 Y CA 1.367 59.443 58.100 -0.039 0.000 1.131 65 Y CB -0.146 38.274 38.460 -0.067 0.000 0.995 65 Y HN -0.082 nan 8.280 nan 0.000 0.505 66 L N -0.161 121.104 121.223 0.071 0.000 2.083 66 L HA -0.198 4.142 4.340 0.000 0.000 0.209 66 L C 1.990 178.853 176.870 -0.012 0.000 1.083 66 L CA 1.651 56.488 54.840 -0.006 0.000 0.752 66 L CB -0.620 41.412 42.059 -0.045 0.000 0.899 66 L HN 0.264 nan 8.230 nan 0.000 0.433 67 E N -0.389 119.839 120.200 0.046 0.000 2.418 67 E HA -0.092 4.258 4.350 0.000 0.000 0.197 67 E C 2.104 178.661 176.600 -0.072 0.000 1.026 67 E CA 0.674 57.087 56.400 0.022 0.000 0.862 67 E CB 0.139 29.867 29.700 0.047 0.000 0.799 67 E HN 0.381 nan 8.360 nan 0.000 0.518 68 S N -0.041 115.581 115.700 -0.131 0.000 2.427 68 S HA -0.025 4.445 4.470 0.000 0.000 0.224 68 S C 1.964 176.441 174.600 -0.206 0.000 1.047 68 S CA 0.195 58.289 58.200 -0.176 0.000 0.953 68 S CB 0.307 63.384 63.200 -0.204 0.000 0.824 68 S HN 0.043 nan 8.310 nan 0.000 0.502 69 V N 1.069 120.814 119.914 -0.283 0.000 3.217 69 V HA 0.153 4.273 4.120 0.000 0.000 0.264 69 V C 0.777 176.816 176.094 -0.090 0.000 1.135 69 V CA 0.921 63.077 62.300 -0.240 0.000 1.142 69 V CB 0.291 31.886 31.823 -0.380 0.000 0.754 69 V HN 0.420 nan 8.190 nan 0.000 0.484 70 S N -0.208 115.455 115.700 -0.062 0.000 2.479 70 S HA 0.301 4.771 4.470 0.000 0.000 0.169 70 S C -1.931 172.654 174.600 -0.025 0.000 1.181 70 S CA -0.678 57.536 58.200 0.024 0.000 1.169 70 S CB 1.429 64.674 63.200 0.075 0.000 1.384 70 S HN 0.169 nan 8.310 nan 0.000 0.412 71 P HA -0.021 nan 4.420 nan 0.000 0.225 71 P C 0.636 177.776 177.300 -0.266 0.000 1.156 71 P CA 0.794 63.728 63.100 -0.278 0.000 0.787 71 P CB -0.051 31.382 31.700 -0.445 0.000 0.802 72 Y N 0.875 121.173 120.300 -0.002 0.000 2.134 72 Y HA 0.080 4.630 4.550 0.000 0.000 0.283 72 Y C 2.965 178.867 175.900 0.003 0.000 1.108 72 Y CA 1.217 59.316 58.100 -0.001 0.000 1.096 72 Y CB -1.635 36.826 38.460 0.001 0.000 1.005 72 Y HN -0.114 nan 8.280 nan 0.000 0.487 73 A N 0.260 123.207 122.820 0.212 0.000 1.843 73 A HA -0.075 4.245 4.320 0.000 0.000 0.213 73 A C 1.802 179.440 177.584 0.090 0.000 1.202 73 A CA 1.098 53.202 52.037 0.112 0.000 0.607 73 A CB -0.586 18.476 19.000 0.103 0.000 0.847 73 A HN 0.267 nan 8.150 nan 0.000 0.445 74 R N -0.482 120.087 120.500 0.116 0.000 2.849 74 R HA 0.183 4.523 4.340 0.000 0.000 0.238 74 R C 1.399 177.892 176.300 0.321 0.000 1.403 74 R CA 0.328 56.549 56.100 0.202 0.000 1.303 74 R CB -0.557 29.809 30.300 0.110 0.000 1.191 74 R HN 0.514 nan 8.270 nan 0.000 0.533 75 R N -0.771 119.818 120.500 0.147 0.000 2.121 75 R HA 0.049 4.389 4.340 0.000 0.000 0.206 75 R C 1.689 177.930 176.300 -0.098 0.000 1.094 75 R CA 0.834 56.945 56.100 0.018 0.000 1.055 75 R CB -0.168 30.118 30.300 -0.023 0.000 0.964 75 R HN 0.286 nan 8.270 nan 0.000 0.473 76 L N 0.174 121.377 121.223 -0.034 0.000 2.079 76 L HA -0.059 4.281 4.340 0.000 0.000 0.210 76 L C 2.112 178.920 176.870 -0.103 0.000 1.081 76 L CA 1.930 56.727 54.840 -0.071 0.000 0.752 76 L CB -1.650 40.388 42.059 -0.035 0.000 0.896 76 L HN 0.285 nan 8.230 nan 0.000 0.433 77 F N 1.205 121.118 119.950 -0.061 0.000 2.167 77 F HA -0.308 4.219 4.527 0.000 0.000 0.301 77 F C 1.839 177.624 175.800 -0.025 0.000 1.066 77 F CA 1.686 59.653 58.000 -0.054 0.000 1.285 77 F CB -1.456 37.514 39.000 -0.050 0.000 1.032 77 F HN 0.193 nan 8.300 nan 0.000 0.495 78 N N 1.507 119.674 118.700 -0.887 0.000 2.760 78 N HA -0.171 4.569 4.740 0.000 0.000 0.200 78 N C 1.345 176.709 175.510 -0.243 0.000 1.306 78 N CA 1.062 53.691 53.050 -0.702 0.000 0.957 78 N CB -0.411 37.687 38.487 -0.649 0.000 1.041 78 N HN 0.708 nan 8.380 nan 0.000 0.448 79 Q N 0.078 119.806 119.800 -0.120 0.000 2.170 79 Q HA -0.024 4.316 4.340 0.000 0.000 0.203 79 Q C 1.960 177.974 176.000 0.023 0.000 0.976 79 Q CA 1.299 57.079 55.803 -0.039 0.000 0.858 79 Q CB -0.092 28.638 28.738 -0.014 0.000 0.907 79 Q HN 0.382 nan 8.270 nan 0.000 0.433 80 A N 0.851 123.719 122.820 0.079 0.000 2.186 80 A HA 0.157 4.477 4.320 0.000 0.000 0.219 80 A C 1.107 178.765 177.584 0.123 0.000 1.159 80 A CA 1.037 53.168 52.037 0.155 0.000 0.680 80 A CB -0.841 18.301 19.000 0.238 0.000 0.787 80 A HN 0.457 nan 8.150 nan 0.000 0.467 81 G N -2.877 105.945 108.800 0.037 0.000 2.712 81 G HA2 0.100 4.060 3.960 0.000 0.000 0.683 81 G HA3 0.100 4.060 3.960 0.000 0.000 0.683 81 G C -0.645 174.251 174.900 -0.007 0.000 1.320 81 G CA -0.471 44.641 45.100 0.021 0.000 0.847 81 G HN 0.999 nan 8.290 nan 0.000 0.553 82 V N 1.314 121.221 119.914 -0.012 0.000 2.769 82 V HA 0.663 4.783 4.120 0.000 0.000 0.312 82 V C -1.781 174.317 176.094 0.007 0.000 1.061 82 V CA -1.248 61.043 62.300 -0.015 0.000 0.931 82 V CB 1.975 33.769 31.823 -0.048 0.000 1.010 82 V HN 0.832 nan 8.190 nan 0.000 0.433 83 P HA 0.109 nan 4.420 nan 0.000 0.266 83 P C -0.797 176.497 177.300 -0.010 0.000 1.195 83 P CA -0.062 63.037 63.100 -0.002 0.000 0.768 83 P CB 0.300 32.004 31.700 0.007 0.000 0.838 84 D N 2.667 123.054 120.400 -0.021 0.000 2.483 84 D HA 0.261 4.901 4.640 0.000 0.000 0.220 84 D C -1.160 175.134 176.300 -0.010 0.000 1.173 84 D CA 0.112 54.104 54.000 -0.013 0.000 0.964 84 D CB -0.186 40.607 40.800 -0.011 0.000 1.046 84 D HN -0.028 nan 8.370 nan 0.000 0.517 85 V N 3.473 123.384 119.914 -0.005 0.000 2.932 85 V HA 0.226 4.346 4.120 0.000 0.000 0.307 85 V C 0.161 176.255 176.094 -0.000 0.000 1.147 85 V CA -0.640 61.659 62.300 -0.001 0.000 0.951 85 V CB 2.361 34.185 31.823 0.003 0.000 1.031 85 V HN 0.244 nan 8.190 nan 0.000 0.426 86 D N 3.267 123.667 120.400 0.001 0.000 2.144 86 D HA 0.318 4.958 4.640 0.000 0.000 0.207 86 D C 0.429 176.729 176.300 -0.000 0.000 0.970 86 D CA 1.716 55.715 54.000 -0.001 0.000 0.853 86 D CB 0.599 41.399 40.800 -0.001 0.000 1.007 86 D HN 0.817 nan 8.370 nan 0.000 0.469 87 A N -0.135 122.686 122.820 0.002 0.000 2.549 87 A HA 0.682 5.002 4.320 0.000 0.000 0.297 87 A C -1.345 176.244 177.584 0.009 0.000 1.061 87 A CA -0.544 51.495 52.037 0.004 0.000 0.690 87 A CB 1.486 20.487 19.000 0.002 0.000 1.287 87 A HN 0.050 nan 8.150 nan 0.000 0.402 88 I N 2.149 122.726 120.570 0.012 0.000 2.468 88 I HA 0.337 4.507 4.170 0.000 0.000 0.285 88 I C -1.392 174.737 176.117 0.020 0.000 1.039 88 I CA -0.570 60.742 61.300 0.020 0.000 1.074 88 I CB 2.107 40.122 38.000 0.026 0.000 1.228 88 I HN 0.532 nan 8.210 nan 0.000 0.436 89 D N 4.406 124.820 120.400 0.023 0.000 2.342 89 D HA 0.445 5.085 4.640 0.000 0.000 0.243 89 D C 0.784 177.103 176.300 0.032 0.000 1.019 89 D CA 0.020 54.034 54.000 0.023 0.000 0.864 89 D CB 2.322 43.133 40.800 0.018 0.000 1.315 89 D HN 0.841 nan 8.370 nan 0.000 0.468 90 G N 1.150 109.965 108.800 0.026 0.000 2.176 90 G HA2 -0.231 3.729 3.960 0.000 0.000 0.252 90 G HA3 -0.231 3.729 3.960 0.000 0.000 0.252 90 G C -0.075 174.837 174.900 0.021 0.000 1.024 90 G CA -0.162 44.953 45.100 0.025 0.000 0.755 90 G HN 0.434 nan 8.290 nan 0.000 0.507 91 L N 1.708 122.942 121.223 0.019 0.000 2.262 91 L HA 0.448 4.789 4.340 0.000 0.000 0.288 91 L C -1.275 175.579 176.870 -0.027 0.000 1.035 91 L CA -1.598 53.251 54.840 0.014 0.000 0.820 91 L CB 1.229 43.307 42.059 0.032 0.000 1.204 91 L HN 0.076 nan 8.230 nan 0.000 0.424 92 P HA 0.419 nan 4.420 nan 0.000 0.276 92 P C -2.688 174.523 177.300 -0.148 0.000 1.261 92 P CA -1.637 61.399 63.100 -0.108 0.000 0.800 92 P CB -0.286 31.321 31.700 -0.155 0.000 1.066 93 P HA 0.131 nan 4.420 nan 0.000 0.266 93 P C -0.710 176.404 177.300 -0.310 0.000 1.186 93 P CA 0.668 63.594 63.100 -0.290 0.000 0.767 93 P CB 0.067 31.515 31.700 -0.419 0.000 0.820 94 A N 2.164 124.807 122.820 -0.294 0.000 2.380 94 A HA 0.712 5.032 4.320 0.000 0.000 0.315 94 A C -1.180 176.336 177.584 -0.113 0.000 1.101 94 A CA -0.540 51.371 52.037 -0.210 0.000 0.771 94 A CB 1.373 20.323 19.000 -0.083 0.000 1.287 94 A HN 0.292 nan 8.150 nan 0.000 0.436 95 V N 0.518 120.375 119.914 -0.094 0.000 2.577 95 V HA 0.712 4.832 4.120 0.000 0.000 0.303 95 V C 0.245 176.375 176.094 0.059 0.000 1.042 95 V CA -0.493 61.814 62.300 0.012 0.000 0.872 95 V CB 1.293 33.031 31.823 -0.142 0.000 0.998 95 V HN 1.340 nan 8.190 nan 0.000 0.423 96 A N 4.294 127.119 122.820 0.008 0.000 2.290 96 A HA 0.778 5.098 4.320 0.000 0.000 0.310 96 A C 0.412 177.992 177.584 -0.006 0.000 1.202 96 A CA -0.482 51.457 52.037 -0.163 0.000 0.837 96 A CB 0.728 19.401 19.000 -0.545 0.000 1.139 96 A HN 0.928 nan 8.150 nan 0.000 0.509 97 L N 0.845 122.083 121.223 0.026 0.000 2.592 97 L HA 0.186 4.526 4.340 0.000 0.000 0.227 97 L C 0.831 177.698 176.870 -0.006 0.000 1.127 97 L CA 0.525 55.375 54.840 0.015 0.000 0.884 97 L CB -0.144 41.910 42.059 -0.008 0.000 1.065 97 L HN 0.810 nan 8.230 nan 0.000 0.457 98 Q N 0.480 120.274 119.800 -0.009 0.000 2.305 98 Q HA 0.253 4.593 4.340 0.000 0.000 0.271 98 Q C -0.753 175.211 176.000 -0.060 0.000 1.046 98 Q CA -0.505 55.276 55.803 -0.036 0.000 0.798 98 Q CB 2.131 30.839 28.738 -0.049 0.000 1.286 98 Q HN 0.093 nan 8.270 nan 0.000 0.435 99 Q N 1.111 120.880 119.800 -0.051 0.000 2.386 99 Q HA 0.249 4.589 4.340 0.000 0.000 0.282 99 Q C -0.522 175.429 176.000 -0.082 0.000 1.050 99 Q CA 0.180 55.955 55.803 -0.046 0.000 0.918 99 Q CB 0.775 29.495 28.738 -0.030 0.000 1.266 99 Q HN 0.707 nan 8.270 nan 0.000 0.423 100 A N 3.689 126.472 122.820 -0.062 0.000 2.483 100 A HA 0.061 4.381 4.320 0.000 0.000 0.238 100 A C -0.040 177.496 177.584 -0.081 0.000 1.070 100 A CA -0.158 51.828 52.037 -0.086 0.000 0.770 100 A CB 0.157 19.156 19.000 -0.002 0.000 1.008 100 A HN 0.828 nan 8.150 nan 0.000 0.497 101 R N 1.544 121.975 120.500 -0.115 0.000 2.623 101 R HA 0.375 4.715 4.340 0.000 0.000 0.271 101 R C 0.777 177.049 176.300 -0.047 0.000 1.043 101 R CA 0.478 56.524 56.100 -0.089 0.000 1.083 101 R CB -0.151 30.082 30.300 -0.112 0.000 0.974 101 R HN 1.954 nan 8.270 nan 0.000 0.436 102 G N 1.387 110.166 108.800 -0.034 0.000 2.213 102 G HA2 -0.308 3.652 3.960 0.000 0.000 0.236 102 G HA3 -0.308 3.652 3.960 0.000 0.000 0.236 102 G C 0.150 175.079 174.900 0.049 0.000 0.991 102 G CA 0.274 45.379 45.100 0.009 0.000 0.629 102 G HN 1.042 nan 8.290 nan 0.000 0.517 103 T N 0.907 115.469 114.554 0.014 0.000 2.856 103 T HA 0.624 4.974 4.350 0.000 0.000 0.292 103 T C -1.916 172.784 174.700 -0.001 0.000 0.980 103 T CA -1.257 60.847 62.100 0.007 0.000 1.091 103 T CB 2.117 70.981 68.868 -0.007 0.000 0.936 103 T HN 0.226 nan 8.240 nan 0.000 0.503 104 P HA 0.109 nan 4.420 nan 0.000 0.264 104 P C 0.339 177.631 177.300 -0.013 0.000 1.193 104 P CA -0.200 62.896 63.100 -0.006 0.000 0.763 104 P CB 0.077 31.772 31.700 -0.008 0.000 0.810 105 T N 0.263 114.808 114.554 -0.014 0.000 2.771 105 T HA 0.374 4.724 4.350 0.000 0.000 0.277 105 T C 0.726 175.415 174.700 -0.018 0.000 0.919 105 T CA -0.750 61.340 62.100 -0.017 0.000 1.163 105 T CB -0.405 68.454 68.868 -0.015 0.000 0.876 105 T HN 0.523 nan 8.240 nan 0.000 0.545 106 A N 4.444 127.252 122.820 -0.019 0.000 2.520 106 A HA 0.293 4.613 4.320 0.000 0.000 0.235 106 A C 0.935 178.506 177.584 -0.022 0.000 1.065 106 A CA -0.514 51.510 52.037 -0.022 0.000 0.764 106 A CB 0.173 19.161 19.000 -0.020 0.000 1.002 106 A HN 0.770 nan 8.150 nan 0.000 0.502 107 R N 1.622 122.106 120.500 -0.026 0.000 2.272 107 R HA 0.356 4.696 4.340 0.000 0.000 0.334 107 R C -0.192 176.095 176.300 -0.022 0.000 1.117 107 R CA 0.429 56.514 56.100 -0.025 0.000 0.966 107 R CB 0.277 30.556 30.300 -0.034 0.000 1.049 107 R HN 0.833 nan 8.270 nan 0.000 0.477 108 S N 1.113 116.803 115.700 -0.016 0.000 2.794 108 S HA 0.625 5.095 4.470 0.000 0.000 0.299 108 S C -1.033 173.560 174.600 -0.011 0.000 1.179 108 S CA -0.496 57.696 58.200 -0.014 0.000 0.838 108 S CB 1.349 64.541 63.200 -0.013 0.000 1.206 108 S HN 0.558 nan 8.310 nan 0.000 0.523 109 S N 0.278 115.971 115.700 -0.010 0.000 2.600 109 S HA 0.610 5.080 4.470 0.000 0.000 0.300 109 S C 0.858 175.450 174.600 -0.014 0.000 1.087 109 S CA -0.584 57.609 58.200 -0.011 0.000 0.965 109 S CB 0.971 64.165 63.200 -0.009 0.000 1.089 109 S HN 0.509 nan 8.310 nan 0.000 0.496 110 V N 1.909 121.812 119.914 -0.020 0.000 2.255 110 V HA -0.092 4.028 4.120 0.000 0.000 0.247 110 V C 2.775 178.861 176.094 -0.014 0.000 1.051 110 V CA 2.639 64.924 62.300 -0.026 0.000 1.018 110 V CB -1.565 30.231 31.823 -0.045 0.000 0.641 110 V HN 1.094 nan 8.190 nan 0.000 0.445 111 G N -0.729 108.063 108.800 -0.014 0.000 2.485 111 G HA2 -0.314 3.646 3.960 0.000 0.000 0.221 111 G HA3 -0.314 3.646 3.960 0.000 0.000 0.221 111 G C 1.869 176.770 174.900 0.002 0.000 1.115 111 G CA 1.590 46.685 45.100 -0.008 0.000 0.751 111 G HN 0.633 nan 8.290 nan 0.000 0.567 112 S N -0.699 115.002 115.700 0.001 0.000 2.427 112 S HA 0.035 4.505 4.470 0.000 0.000 0.224 112 S C 2.334 176.941 174.600 0.012 0.000 1.047 112 S CA 1.057 59.260 58.200 0.006 0.000 0.953 112 S CB -0.180 63.020 63.200 0.001 0.000 0.824 112 S HN 0.060 nan 8.310 nan 0.000 0.502 113 V N 3.073 122.991 119.914 0.006 0.000 2.282 113 V HA -0.158 3.962 4.120 0.000 0.000 0.249 113 V C 2.996 179.103 176.094 0.021 0.000 1.057 113 V CA 2.303 64.606 62.300 0.004 0.000 1.032 113 V CB -1.508 30.310 31.823 -0.008 0.000 0.645 113 V HN 0.905 nan 8.190 nan 0.000 0.447 114 T N -4.406 110.172 114.554 0.040 0.000 3.148 114 T HA -0.020 4.331 4.350 0.000 0.000 0.253 114 T C 0.972 175.766 174.700 0.157 0.000 1.134 114 T CA 0.992 63.154 62.100 0.104 0.000 1.051 114 T CB -0.059 68.873 68.868 0.106 0.000 0.959 114 T HN 0.535 nan 8.240 nan 0.000 0.525 115 T N 0.484 115.092 114.554 0.090 0.000 6.974 115 T HA -0.191 4.159 4.350 0.000 0.000 0.287 115 T C 0.896 175.619 174.700 0.040 0.000 2.146 115 T CA 1.125 63.271 62.100 0.077 0.000 3.451 115 T CB -2.270 66.674 68.868 0.127 0.000 1.630 115 T HN 0.494 nan 8.240 nan 0.000 1.173 116 L N 0.347 121.586 121.223 0.027 0.000 2.240 116 L HA 0.016 4.356 4.340 0.000 0.000 0.211 116 L C 2.566 179.422 176.870 -0.024 0.000 1.106 116 L CA 1.400 56.233 54.840 -0.012 0.000 0.793 116 L CB -0.368 41.681 42.059 -0.016 0.000 0.927 116 L HN 0.264 nan 8.230 nan 0.000 0.446 117 S N 0.154 115.846 115.700 -0.014 0.000 2.383 117 S HA -0.168 4.302 4.470 0.000 0.000 0.227 117 S C 1.775 176.361 174.600 -0.023 0.000 1.026 117 S CA 1.393 59.579 58.200 -0.023 0.000 0.981 117 S CB -0.330 62.862 63.200 -0.015 0.000 0.818 117 S HN 0.454 nan 8.310 nan 0.000 0.472 118 N N 1.860 120.555 118.700 -0.009 0.000 2.069 118 N HA -0.075 4.665 4.740 0.000 0.000 0.191 118 N C 1.385 176.880 175.510 -0.024 0.000 1.031 118 N CA 1.440 54.488 53.050 -0.003 0.000 0.852 118 N CB -0.510 37.983 38.487 0.011 0.000 1.018 118 N HN 0.377 nan 8.380 nan 0.000 0.423 119 L N -0.025 121.176 121.223 -0.037 0.000 2.395 119 L HA -0.012 4.328 4.340 0.000 0.000 0.218 119 L C 1.737 178.551 176.870 -0.094 0.000 1.130 119 L CA 0.289 55.093 54.840 -0.061 0.000 0.826 119 L CB -0.292 41.727 42.059 -0.067 0.000 0.941 119 L HN 0.232 nan 8.230 nan 0.000 0.451 120 L N -3.354 117.816 121.223 -0.088 0.000 2.354 120 L HA 0.149 4.489 4.340 0.000 0.000 0.212 120 L C 2.345 179.165 176.870 -0.084 0.000 1.091 120 L CA 0.866 55.652 54.840 -0.090 0.000 0.828 120 L CB -0.776 41.254 42.059 -0.049 0.000 0.973 120 L HN -0.103 nan 8.230 nan 0.000 0.461 121 R N -0.230 120.185 120.500 -0.141 0.000 2.120 121 R HA -0.045 4.296 4.340 0.000 0.000 0.234 121 R C 2.195 178.330 176.300 -0.275 0.000 1.123 121 R CA 1.990 57.935 56.100 -0.258 0.000 0.975 121 R CB -0.411 29.860 30.300 -0.049 0.000 0.866 121 R HN 0.418 nan 8.270 nan 0.000 0.446 122 M N 0.202 119.723 119.600 -0.131 0.000 2.193 122 M HA -0.089 4.391 4.480 0.000 0.000 0.265 122 M C 2.201 178.424 176.300 -0.128 0.000 1.071 122 M CA 1.179 56.430 55.300 -0.082 0.000 1.140 122 M CB 0.056 32.627 32.600 -0.048 0.000 1.369 122 M HN 0.185 nan 8.290 nan 0.000 0.423 123 L N -0.718 120.395 121.223 -0.184 0.000 2.012 123 L HA -0.259 4.081 4.340 0.000 0.000 0.210 123 L C 1.987 178.648 176.870 -0.347 0.000 1.073 123 L CA 1.734 56.401 54.840 -0.290 0.000 0.748 123 L CB -0.409 41.391 42.059 -0.433 0.000 0.891 123 L HN 0.242 nan 8.230 nan 0.000 0.431 124 Y N -0.877 119.126 120.300 -0.496 0.000 2.352 124 Y HA -0.235 4.315 4.550 0.000 0.000 0.292 124 Y C 3.021 178.682 175.900 -0.397 0.000 1.136 124 Y CA 1.516 59.287 58.100 -0.548 0.000 1.227 124 Y CB -0.533 37.365 38.460 -0.937 0.000 0.991 124 Y HN 0.320 nan 8.280 nan 0.000 0.545 125 S N -0.144 115.425 115.700 -0.217 0.000 2.348 125 S HA -0.206 4.264 4.470 0.000 0.000 0.221 125 S C 2.209 176.940 174.600 0.218 0.000 1.033 125 S CA 1.671 59.947 58.200 0.127 0.000 1.010 125 S CB -0.025 63.262 63.200 0.145 0.000 0.891 125 S HN 0.420 nan 8.310 nan 0.000 0.442 126 R N 0.290 120.846 120.500 0.094 0.000 2.055 126 R HA 0.407 4.747 4.340 0.000 0.000 0.221 126 R C 1.225 177.580 176.300 0.092 0.000 1.154 126 R CA 0.781 56.933 56.100 0.086 0.000 0.975 126 R CB -0.325 29.995 30.300 0.034 0.000 0.869 126 R HN 0.451 nan 8.270 nan 0.000 0.437 127 A N -0.171 122.667 122.820 0.031 0.000 2.250 127 A HA 0.601 4.921 4.320 0.000 0.000 0.283 127 A C 0.075 177.703 177.584 0.073 0.000 1.206 127 A CA 0.222 52.286 52.037 0.045 0.000 0.840 127 A CB -0.042 18.954 19.000 -0.007 0.000 1.220 127 A HN 0.502 nan 8.150 nan 0.000 0.505 128 G N -0.978 107.881 108.800 0.099 0.000 2.515 128 G HA2 0.202 4.163 3.960 0.000 0.000 0.686 128 G HA3 0.202 4.163 3.960 0.000 0.000 0.686 128 G C -1.462 173.525 174.900 0.146 0.000 1.274 128 G CA -0.312 44.830 45.100 0.070 0.000 0.874 128 G HN 0.770 nan 8.290 nan 0.000 0.631 129 D N 0.878 121.321 120.400 0.073 0.000 2.467 129 D HA 0.422 5.062 4.640 0.000 0.000 0.220 129 D C 0.019 176.374 176.300 0.093 0.000 1.103 129 D CA 0.106 54.167 54.000 0.101 0.000 0.886 129 D CB 0.574 41.400 40.800 0.043 0.000 1.025 129 D HN 0.333 nan 8.370 nan 0.000 0.514 130 Y N 1.494 121.839 120.300 0.075 0.000 2.326 130 Y HA 0.196 4.746 4.550 0.000 0.000 0.333 130 Y C -1.446 174.488 175.900 0.057 0.000 1.240 130 Y CA -1.669 56.479 58.100 0.080 0.000 1.365 130 Y CB 0.307 38.812 38.460 0.075 0.000 1.289 130 Y HN 0.162 nan 8.280 nan 0.000 0.548 131 P HA 0.044 nan 4.420 nan 0.000 0.266 131 P C -2.557 174.817 177.300 0.124 0.000 1.195 131 P CA -0.949 62.223 63.100 0.120 0.000 0.768 131 P CB -0.089 31.666 31.700 0.091 0.000 0.838 132 P HA -0.042 nan 4.420 nan 0.000 0.261 132 P C 0.896 178.232 177.300 0.059 0.000 1.165 132 P CA 1.473 64.612 63.100 0.064 0.000 0.759 132 P CB -0.075 31.652 31.700 0.045 0.000 0.772 133 G N 1.364 110.192 108.800 0.046 0.000 2.341 133 G HA2 -0.233 3.727 3.960 0.000 0.000 0.292 133 G HA3 -0.233 3.727 3.960 0.000 0.000 0.292 133 G C 0.037 174.959 174.900 0.036 0.000 1.021 133 G CA -0.110 45.009 45.100 0.030 0.000 0.905 133 G HN 0.511 nan 8.290 nan 0.000 0.508 134 Q N -0.852 118.983 119.800 0.058 0.000 2.418 134 Q HA 0.691 5.031 4.340 0.000 0.000 0.276 134 Q C 0.873 176.899 176.000 0.044 0.000 1.081 134 Q CA -0.105 55.745 55.803 0.078 0.000 0.864 134 Q CB 1.145 29.967 28.738 0.140 0.000 1.384 134 Q HN 0.491 nan 8.270 nan 0.000 0.467 135 G N 0.238 109.088 108.800 0.083 0.000 2.606 135 G HA2 0.283 4.243 3.960 0.000 0.000 0.252 135 G HA3 0.283 4.243 3.960 0.000 0.000 0.252 135 G C -0.218 174.723 174.900 0.069 0.000 1.206 135 G CA -0.418 44.713 45.100 0.051 0.000 0.861 135 G HN 0.423 nan 8.290 nan 0.000 0.561 136 I N 0.601 121.185 120.570 0.024 0.000 2.474 136 I HA 0.324 4.494 4.170 0.000 0.000 0.287 136 I C -0.359 175.884 176.117 0.210 0.000 1.048 136 I CA -0.086 61.243 61.300 0.049 0.000 1.383 136 I CB 1.509 39.529 38.000 0.033 0.000 1.412 136 I HN 0.127 nan 8.210 nan 0.000 0.531 137 V N 9.572 129.718 119.914 0.388 0.000 2.376 137 V HA 0.357 4.477 4.120 0.000 0.000 0.287 137 V C -0.655 175.660 176.094 0.369 0.000 1.015 137 V CA -0.478 61.928 62.300 0.175 0.000 0.834 137 V CB 1.341 33.146 31.823 -0.029 0.000 1.001 137 V HN 0.625 nan 8.190 nan 0.000 0.428 138 Y N 5.113 125.572 120.300 0.266 0.000 2.344 138 Y HA 0.838 5.388 4.550 0.000 0.000 0.330 138 Y C 0.649 176.755 175.900 0.344 0.000 1.330 138 Y CA -0.613 57.647 58.100 0.267 0.000 1.479 138 Y CB 0.110 38.655 38.460 0.142 0.000 1.428 138 Y HN 0.744 nan 8.280 nan 0.000 0.544 139 A N 0.890 123.994 122.820 0.473 0.000 2.507 139 A HA 0.332 4.652 4.320 0.000 0.000 0.235 139 A C 0.737 178.512 177.584 0.319 0.000 1.070 139 A CA 0.519 52.765 52.037 0.348 0.000 0.768 139 A CB -0.620 18.502 19.000 0.203 0.000 1.011 139 A HN 0.968 nan 8.150 nan 0.000 0.502 140 E N -0.616 119.724 120.200 0.232 0.000 4.129 140 E HA -0.198 4.152 4.350 0.000 0.000 0.360 140 E C 1.160 177.784 176.600 0.039 0.000 0.598 140 E CA 2.325 58.808 56.400 0.138 0.000 1.308 140 E CB -1.830 27.958 29.700 0.147 0.000 1.777 140 E HN 1.074 nan 8.360 nan 0.000 0.397 141 G N -1.792 106.985 108.800 -0.038 0.000 2.920 141 G HA2 0.148 4.108 3.960 0.000 0.000 0.208 141 G HA3 0.148 4.108 3.960 0.000 0.000 0.208 141 G C 0.759 175.405 174.900 -0.423 0.000 1.159 141 G CA 0.392 45.317 45.100 -0.291 0.000 0.784 141 G HN 0.243 nan 8.290 nan 0.000 0.535 142 F N -0.101 119.799 119.950 -0.084 0.000 2.746 142 F HA 0.393 4.920 4.527 0.000 0.000 0.320 142 F C 1.176 176.925 175.800 -0.086 0.000 1.097 142 F CA -0.473 57.468 58.000 -0.098 0.000 1.195 142 F CB 0.935 39.871 39.000 -0.106 0.000 1.056 142 F HN 0.024 nan 8.300 nan 0.000 0.562 143 S N 1.196 116.938 115.700 0.070 0.000 2.508 143 S HA 0.320 4.790 4.470 0.000 0.000 0.284 143 S C -1.828 172.770 174.600 -0.003 0.000 1.192 143 S CA -1.528 56.691 58.200 0.033 0.000 1.070 143 S CB 1.140 64.363 63.200 0.038 0.000 1.004 143 S HN -0.136 nan 8.310 nan 0.000 0.493 144 P HA 0.182 nan 4.420 nan 0.000 0.245 144 P C 0.011 177.313 177.300 0.003 0.000 1.206 144 P CA 0.451 63.548 63.100 -0.006 0.000 0.781 144 P CB 0.048 31.747 31.700 -0.002 0.000 0.994 145 N N -1.734 116.969 118.700 0.004 0.000 2.254 145 N HA 0.035 4.775 4.740 0.000 0.000 0.190 145 N C -0.065 175.447 175.510 0.004 0.000 1.107 145 N CA 0.540 53.592 53.050 0.003 0.000 0.869 145 N CB -0.097 38.390 38.487 -0.000 0.000 0.983 145 N HN -0.036 nan 8.380 nan 0.000 0.487 146 T N 2.130 116.687 114.554 0.006 0.000 2.767 146 T HA 0.220 4.570 4.350 0.000 0.000 0.284 146 T C -2.191 172.509 174.700 -0.001 0.000 0.973 146 T CA -1.440 60.665 62.100 0.009 0.000 0.996 146 T CB 2.029 70.912 68.868 0.024 0.000 0.927 146 T HN 0.006 nan 8.240 nan 0.000 0.456 147 P HA 0.011 nan 4.420 nan 0.000 0.288 147 P C 0.441 177.732 177.300 -0.014 0.000 1.448 147 P CA 0.611 63.710 63.100 -0.001 0.000 0.764 147 P CB 0.308 32.011 31.700 0.005 0.000 1.472 148 E N -0.599 119.581 120.200 -0.033 0.000 2.562 148 E HA 0.132 4.482 4.350 0.000 0.000 0.214 148 E C 1.359 177.877 176.600 -0.137 0.000 0.979 148 E CA 0.209 56.563 56.400 -0.078 0.000 1.002 148 E CB 0.432 30.084 29.700 -0.079 0.000 1.048 148 E HN 0.242 nan 8.360 nan 0.000 0.488 149 G N 0.309 109.043 108.800 -0.110 0.000 2.695 149 G HA2 0.339 4.299 3.960 0.000 0.000 0.205 149 G HA3 0.339 4.299 3.960 0.000 0.000 0.205 149 G C 0.342 175.173 174.900 -0.116 0.000 1.068 149 G CA 0.426 45.435 45.100 -0.151 0.000 0.842 149 G HN 0.198 nan 8.290 nan 0.000 0.628 150 A N 0.387 123.168 122.820 -0.065 0.000 2.316 150 A HA 0.536 4.856 4.320 0.000 0.000 0.284 150 A C 0.861 178.419 177.584 -0.043 0.000 1.115 150 A CA -0.100 51.913 52.037 -0.041 0.000 0.812 150 A CB 0.082 19.081 19.000 -0.001 0.000 1.064 150 A HN 1.022 nan 8.150 nan 0.000 0.489 151 C N 1.617 120.886 119.300 -0.051 0.000 2.644 151 C HA 0.432 4.892 4.460 0.000 0.000 0.417 151 C C -1.059 173.900 174.990 -0.053 0.000 1.304 151 C CA -1.049 57.931 59.018 -0.063 0.000 2.035 151 C CB 0.082 27.773 27.740 -0.081 0.000 2.673 151 C HN 0.696 nan 8.230 nan 0.000 0.602 152 P HA -0.152 nan 4.420 nan 0.000 0.216 152 P C 1.633 178.872 177.300 -0.102 0.000 1.153 152 P CA 1.746 64.826 63.100 -0.034 0.000 0.858 152 P CB 0.017 31.697 31.700 -0.033 0.000 0.789 153 E N -0.907 119.207 120.200 -0.144 0.000 2.007 153 E HA -0.165 4.185 4.350 0.000 0.000 0.194 153 E C 1.846 178.220 176.600 -0.377 0.000 0.999 153 E CA 1.837 58.113 56.400 -0.208 0.000 0.811 153 E CB -0.616 28.991 29.700 -0.156 0.000 0.762 153 E HN 0.356 nan 8.360 nan 0.000 0.450 154 C N -0.352 118.778 119.300 -0.283 0.000 2.613 154 C HA 0.240 4.700 4.460 0.000 0.000 0.273 154 C C 0.690 175.568 174.990 -0.188 0.000 1.304 154 C CA -0.323 58.547 59.018 -0.247 0.000 1.702 154 C CB -1.130 26.549 27.740 -0.102 0.000 1.792 154 C HN 0.430 nan 8.230 nan 0.000 0.588 155 H N 0.467 119.553 119.070 0.026 0.000 3.612 155 H HA -0.186 4.370 4.556 0.000 0.000 0.212 155 H C 1.413 176.749 175.328 0.015 0.000 1.041 155 H CA 1.818 57.880 56.048 0.024 0.000 1.205 155 H CB -1.943 27.846 29.762 0.044 0.000 1.159 155 H HN 1.379 nan 8.280 nan 0.000 0.323 156 G N -0.223 108.619 108.800 0.071 0.000 2.181 156 G HA2 -0.169 3.792 3.960 0.000 0.000 0.152 156 G HA3 -0.169 3.792 3.960 0.000 0.000 0.152 156 G C 0.705 175.639 174.900 0.057 0.000 1.026 156 G CA 0.235 45.361 45.100 0.043 0.000 0.699 156 G HN 0.428 nan 8.290 nan 0.000 0.497 157 L N -0.411 120.856 121.223 0.073 0.000 2.701 157 L HA 0.424 4.764 4.340 0.000 0.000 0.238 157 L C 2.229 179.141 176.870 0.070 0.000 1.106 157 L CA 0.714 55.617 54.840 0.106 0.000 0.898 157 L CB 0.344 42.530 42.059 0.213 0.000 1.188 157 L HN 1.020 nan 8.230 nan 0.000 0.508 158 G N 1.048 109.859 108.800 0.017 0.000 2.184 158 G HA2 -0.257 3.703 3.960 0.000 0.000 0.264 158 G HA3 -0.257 3.703 3.960 0.000 0.000 0.264 158 G C 0.338 175.206 174.900 -0.054 0.000 0.975 158 G CA -0.007 45.084 45.100 -0.014 0.000 0.642 158 G HN 0.309 nan 8.290 nan 0.000 0.536 159 R N -0.529 119.927 120.500 -0.074 0.000 2.604 159 R HA 0.520 4.860 4.340 0.000 0.000 0.281 159 R C -0.609 175.502 176.300 -0.315 0.000 1.020 159 R CA -0.695 55.255 56.100 -0.249 0.000 0.899 159 R CB 2.437 32.492 30.300 -0.409 0.000 1.205 159 R HN 0.118 nan 8.270 nan 0.000 0.450 160 V N 3.421 123.122 119.914 -0.355 0.000 2.509 160 V HA 0.373 4.493 4.120 0.000 0.000 0.284 160 V C -0.605 175.233 176.094 -0.427 0.000 1.047 160 V CA -0.373 61.763 62.300 -0.272 0.000 0.952 160 V CB 0.669 32.386 31.823 -0.176 0.000 0.988 160 V HN 0.564 nan 8.190 nan 0.000 0.469 161 Y N 1.540 121.793 120.300 -0.079 0.000 2.485 161 Y HA 0.696 5.246 4.550 0.000 0.000 0.345 161 Y C 0.521 176.360 175.900 -0.102 0.000 0.998 161 Y CA -0.576 57.446 58.100 -0.129 0.000 1.059 161 Y CB 2.598 40.892 38.460 -0.277 0.000 1.234 161 Y HN 0.646 nan 8.280 nan 0.000 0.461 162 T N 1.895 116.498 114.554 0.082 0.000 2.903 162 T HA 0.582 4.932 4.350 0.000 0.000 0.299 162 T C -1.175 173.559 174.700 0.057 0.000 1.093 162 T CA -0.909 61.220 62.100 0.049 0.000 1.002 162 T CB 1.535 70.419 68.868 0.027 0.000 1.127 162 T HN 0.464 nan 8.240 nan 0.000 0.488 163 V N 0.094 120.060 119.914 0.086 0.000 2.448 163 V HA 0.920 5.040 4.120 0.000 0.000 0.295 163 V C 0.129 176.360 176.094 0.229 0.000 1.025 163 V CA -0.650 61.723 62.300 0.122 0.000 0.859 163 V CB 0.717 32.601 31.823 0.102 0.000 0.988 163 V HN 1.154 nan 8.190 nan 0.000 0.431 164 T N 0.211 114.882 114.554 0.196 0.000 2.768 164 T HA 0.505 4.855 4.350 0.000 0.000 0.268 164 T C 0.764 175.607 174.700 0.239 0.000 0.969 164 T CA 0.307 62.571 62.100 0.274 0.000 1.008 164 T CB 1.960 70.921 68.868 0.155 0.000 1.371 164 T HN 0.717 nan 8.240 nan 0.000 0.587 165 E N -0.022 120.329 120.200 0.251 0.000 2.076 165 E HA -0.103 4.247 4.350 0.000 0.000 0.190 165 E C 1.334 177.962 176.600 0.047 0.000 0.979 165 E CA 0.989 57.472 56.400 0.139 0.000 0.807 165 E CB -0.046 29.797 29.700 0.239 0.000 0.761 165 E HN 0.621 nan 8.360 nan 0.000 0.454 166 D N 0.113 120.556 120.400 0.072 0.000 2.224 166 D HA -0.102 4.538 4.640 0.000 0.000 0.205 166 D C 2.053 178.371 176.300 0.030 0.000 0.965 166 D CA 1.195 55.221 54.000 0.043 0.000 0.852 166 D CB 0.131 40.963 40.800 0.053 0.000 0.947 166 D HN 0.204 nan 8.370 nan 0.000 0.494 167 S N 0.298 116.025 115.700 0.045 0.000 2.406 167 S HA -0.004 4.466 4.470 0.000 0.000 0.224 167 S C 2.022 176.683 174.600 0.102 0.000 1.030 167 S CA 0.329 58.567 58.200 0.063 0.000 0.958 167 S CB -0.140 63.099 63.200 0.065 0.000 0.811 167 S HN 0.121 nan 8.310 nan 0.000 0.489 168 M N 0.988 120.584 119.600 -0.007 0.000 2.501 168 M HA 0.236 4.716 4.480 0.000 0.000 0.261 168 M C -0.327 175.785 176.300 -0.313 0.000 1.129 168 M CA 0.511 55.717 55.300 -0.157 0.000 1.126 168 M CB 0.622 33.057 32.600 -0.274 0.000 1.359 168 M HN 0.094 nan 8.290 nan 0.000 0.471 169 V N 1.196 120.949 119.914 -0.268 0.000 2.383 169 V HA 0.179 4.299 4.120 0.000 0.000 0.261 169 V C -2.071 173.927 176.094 -0.160 0.000 0.987 169 V CA -0.823 61.262 62.300 -0.359 0.000 0.853 169 V CB 0.603 32.011 31.823 -0.692 0.000 1.095 169 V HN 0.059 nan 8.190 nan 0.000 0.461 170 P HA -0.032 nan 4.420 nan 0.000 0.220 170 P C 0.308 177.600 177.300 -0.014 0.000 1.148 170 P CA 1.117 64.209 63.100 -0.012 0.000 0.803 170 P CB 0.316 32.031 31.700 0.025 0.000 0.782 171 D N -0.912 119.467 120.400 -0.035 0.000 2.446 171 D HA 0.146 4.786 4.640 0.000 0.000 0.251 171 D C -1.959 174.334 176.300 -0.012 0.000 1.137 171 D CA -2.380 51.614 54.000 -0.010 0.000 0.890 171 D CB 1.026 41.825 40.800 -0.001 0.000 1.071 171 D HN 0.014 nan 8.370 nan 0.000 0.528 172 P HA -0.023 nan 4.420 nan 0.000 0.245 172 P C 0.978 178.378 177.300 0.166 0.000 1.212 172 P CA 0.270 63.458 63.100 0.145 0.000 0.774 172 P CB 0.221 32.050 31.700 0.215 0.000 0.999 173 S N -1.319 114.439 115.700 0.096 0.000 2.489 173 S HA 0.011 4.481 4.470 0.000 0.000 0.228 173 S C 0.916 175.565 174.600 0.083 0.000 0.995 173 S CA -0.023 58.226 58.200 0.082 0.000 0.934 173 S CB -0.818 62.414 63.200 0.053 0.000 0.771 173 S HN -0.077 nan 8.310 nan 0.000 0.522 174 L N 2.084 123.354 121.223 0.079 0.000 2.466 174 L HA 0.436 4.776 4.340 0.000 0.000 0.257 174 L C 0.734 177.676 176.870 0.120 0.000 1.189 174 L CA 0.510 55.392 54.840 0.070 0.000 0.813 174 L CB 0.665 42.739 42.059 0.025 0.000 1.118 174 L HN 0.095 nan 8.230 nan 0.000 0.471 175 T N 2.036 116.651 114.554 0.102 0.000 2.907 175 T HA 0.379 4.729 4.350 0.000 0.000 0.284 175 T C 1.753 176.535 174.700 0.137 0.000 1.004 175 T CA -0.371 61.805 62.100 0.126 0.000 1.063 175 T CB 0.704 69.624 68.868 0.087 0.000 0.992 175 T HN 0.397 nan 8.240 nan 0.000 0.483 176 I N 1.646 122.333 120.570 0.195 0.000 2.264 176 I HA -0.172 3.998 4.170 0.000 0.000 0.248 176 I C 2.739 178.946 176.117 0.151 0.000 1.111 176 I CA 1.305 62.729 61.300 0.207 0.000 1.382 176 I CB -0.198 37.978 38.000 0.293 0.000 1.060 176 I HN 0.585 nan 8.210 nan 0.000 0.418 177 R N 1.163 121.733 120.500 0.118 0.000 2.115 177 R HA -0.137 4.203 4.340 0.000 0.000 0.230 177 R C 1.451 177.793 176.300 0.069 0.000 1.111 177 R CA 1.175 57.327 56.100 0.086 0.000 0.976 177 R CB 0.028 30.369 30.300 0.069 0.000 0.870 177 R HN 0.416 nan 8.270 nan 0.000 0.445 178 E N 0.345 120.584 120.200 0.066 0.000 2.445 178 E HA 0.036 4.386 4.350 0.000 0.000 0.189 178 E C -0.498 176.123 176.600 0.036 0.000 1.069 178 E CA -0.090 56.338 56.400 0.048 0.000 0.871 178 E CB 0.218 29.945 29.700 0.044 0.000 0.991 178 E HN 0.182 nan 8.360 nan 0.000 0.481 179 R N -1.058 119.470 120.500 0.046 0.000 3.322 179 R HA -0.228 4.112 4.340 0.000 0.000 0.266 179 R C 0.920 177.177 176.300 -0.072 0.000 1.072 179 R CA 0.232 56.346 56.100 0.023 0.000 0.715 179 R CB -2.193 28.124 30.300 0.029 0.000 1.199 179 R HN 0.304 nan 8.270 nan 0.000 0.421 180 A N 0.468 123.231 122.820 -0.095 0.000 1.908 180 A HA -0.094 4.226 4.320 0.000 0.000 0.218 180 A C 1.296 178.590 177.584 -0.484 0.000 1.181 180 A CA 1.603 53.502 52.037 -0.229 0.000 0.627 180 A CB 0.179 19.083 19.000 -0.160 0.000 0.818 180 A HN 0.360 nan 8.150 nan 0.000 0.445 181 V N 0.355 119.900 119.914 -0.615 0.000 2.276 181 V HA 0.523 4.643 4.120 0.000 0.000 0.249 181 V C 1.155 176.806 176.094 -0.738 0.000 1.160 181 V CA 0.152 61.923 62.300 -0.882 0.000 1.042 181 V CB -0.156 30.907 31.823 -1.265 0.000 1.224 181 V HN 0.517 nan 8.190 nan 0.000 0.496 182 A N 5.177 127.656 122.820 -0.568 0.000 2.168 182 A HA 0.206 4.526 4.320 0.000 0.000 0.215 182 A C 2.150 179.217 177.584 -0.861 0.000 1.152 182 A CA 1.221 52.975 52.037 -0.472 0.000 0.716 182 A CB -0.150 18.712 19.000 -0.231 0.000 0.794 182 A HN 1.417 nan 8.150 nan 0.000 0.465 183 A N -0.739 121.457 122.820 -1.039 0.000 2.239 183 A HA 0.278 4.598 4.320 0.000 0.000 0.209 183 A C 0.647 178.011 177.584 -0.366 0.000 1.171 183 A CA 0.658 52.100 52.037 -0.991 0.000 0.768 183 A CB -0.581 18.008 19.000 -0.685 0.000 0.790 183 A HN 0.859 nan 8.150 nan 0.000 0.478 184 W N -1.372 119.707 121.300 -0.368 0.000 2.804 184 W HA 0.717 5.377 4.660 0.000 0.000 0.352 184 W C -2.915 173.415 176.519 -0.314 0.000 1.153 184 W CA -3.982 53.118 57.345 -0.408 0.000 1.119 184 W CB -0.855 28.262 29.460 -0.571 0.000 1.448 184 W HN -0.231 nan 8.180 nan 0.000 0.600 185 P HA -0.062 nan 4.420 nan 0.000 0.269 185 P C 0.216 177.527 177.300 0.018 0.000 1.211 185 P CA 0.503 63.594 63.100 -0.015 0.000 0.781 185 P CB 0.885 32.534 31.700 -0.085 0.000 0.877 186 Q N 0.136 119.971 119.800 0.058 0.000 2.204 186 Q HA 0.049 4.389 4.340 0.000 0.000 0.198 186 Q C 1.353 177.383 176.000 0.051 0.000 0.946 186 Q CA 1.075 56.915 55.803 0.062 0.000 0.859 186 Q CB 0.169 28.955 28.738 0.079 0.000 0.946 186 Q HN 0.590 nan 8.270 nan 0.000 0.474 187 A N -0.197 122.660 122.820 0.062 0.000 3.637 187 A HA 0.029 4.349 4.320 0.000 0.000 0.192 187 A C 0.932 178.566 177.584 0.084 0.000 1.783 187 A CA -0.136 51.950 52.037 0.083 0.000 1.891 187 A CB -1.342 17.724 19.000 0.110 0.000 1.430 187 A HN 0.440 nan 8.150 nan 0.000 0.460 188 W N 0.940 122.214 121.300 -0.044 0.000 2.325 188 W HA -0.137 4.523 4.660 0.000 0.000 0.299 188 W C 1.969 178.426 176.519 -0.103 0.000 1.215 188 W CA 2.761 60.068 57.345 -0.063 0.000 1.244 188 W CB -0.469 28.948 29.460 -0.072 0.000 1.140 188 W HN 0.502 nan 8.180 nan 0.000 0.523 189 G N 0.044 108.813 108.800 -0.051 0.000 2.440 189 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 189 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 189 G C 1.666 176.217 174.900 -0.581 0.000 1.154 189 G CA 1.233 46.137 45.100 -0.327 0.000 0.767 189 G HN 0.524 nan 8.290 nan 0.000 0.552 190 G N -0.099 108.452 108.800 -0.415 0.000 2.402 190 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 190 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 190 G C 1.710 176.339 174.900 -0.452 0.000 1.162 190 G CA 1.172 45.988 45.100 -0.473 0.000 0.777 190 G HN 0.541 nan 8.290 nan 0.000 0.539 191 Q N 0.709 120.301 119.800 -0.345 0.000 2.119 191 Q HA -0.143 4.197 4.340 0.000 0.000 0.201 191 Q C 2.252 178.004 176.000 -0.413 0.000 0.972 191 Q CA 1.517 57.150 55.803 -0.283 0.000 0.847 191 Q CB -0.570 28.061 28.738 -0.179 0.000 0.903 191 Q HN 0.642 nan 8.270 nan 0.000 0.433 192 N N -0.613 117.647 118.700 -0.733 0.000 2.094 192 N HA -0.203 4.537 4.740 0.000 0.000 0.191 192 N C 1.572 176.789 175.510 -0.489 0.000 1.023 192 N CA 1.280 53.885 53.050 -0.742 0.000 0.857 192 N CB 0.055 37.732 38.487 -1.351 0.000 1.013 192 N HN 0.341 nan 8.380 nan 0.000 0.426 193 Q N 0.276 119.679 119.800 -0.660 0.000 2.436 193 Q HA -0.052 4.288 4.340 0.000 0.000 0.209 193 Q C 1.913 177.749 176.000 -0.273 0.000 0.965 193 Q CA 0.394 55.802 55.803 -0.658 0.000 0.910 193 Q CB -0.094 27.672 28.738 -1.621 0.000 0.980 193 Q HN 0.460 nan 8.270 nan 0.000 0.491 194 R N 0.985 121.371 120.500 -0.191 0.000 2.100 194 R HA -0.070 4.270 4.340 0.000 0.000 0.220 194 R C 0.798 177.108 176.300 0.017 0.000 1.091 194 R CA 0.918 57.028 56.100 0.017 0.000 0.986 194 R CB 0.261 30.582 30.300 0.035 0.000 0.888 194 R HN 0.090 nan 8.270 nan 0.000 0.444 195 D N 0.746 121.120 120.400 -0.043 0.000 2.224 195 D HA -0.059 4.581 4.640 0.000 0.000 0.205 195 D C 1.980 178.275 176.300 -0.008 0.000 0.965 195 D CA 0.732 54.722 54.000 -0.017 0.000 0.852 195 D CB 0.034 40.815 40.800 -0.031 0.000 0.947 195 D HN 0.295 nan 8.370 nan 0.000 0.494 196 I N 0.669 121.231 120.570 -0.013 0.000 2.226 196 I HA -0.239 3.931 4.170 0.000 0.000 0.245 196 I C 2.357 178.515 176.117 0.068 0.000 1.100 196 I CA 0.721 62.044 61.300 0.039 0.000 1.374 196 I CB -0.086 37.985 38.000 0.118 0.000 1.057 196 I HN -0.042 nan 8.210 nan 0.000 0.413 197 L N 0.135 121.422 121.223 0.107 0.000 2.131 197 L HA -0.157 4.183 4.340 0.000 0.000 0.210 197 L C 2.636 179.532 176.870 0.042 0.000 1.092 197 L CA 1.103 56.004 54.840 0.101 0.000 0.759 197 L CB -0.696 41.481 42.059 0.197 0.000 0.903 197 L HN 0.290 nan 8.230 nan 0.000 0.435 198 V N -3.688 116.252 119.914 0.043 0.000 2.719 198 V HA -0.155 3.965 4.120 0.000 0.000 0.252 198 V C 2.210 178.312 176.094 0.013 0.000 1.065 198 V CA 1.993 64.308 62.300 0.024 0.000 1.086 198 V CB -0.370 31.471 31.823 0.029 0.000 0.700 198 V HN 0.325 nan 8.190 nan 0.000 0.467 199 T N 1.179 115.749 114.554 0.028 0.000 2.821 199 T HA 0.036 4.386 4.350 0.000 0.000 0.267 199 T C 1.694 176.390 174.700 -0.006 0.000 1.046 199 T CA 2.091 64.212 62.100 0.034 0.000 1.139 199 T CB -0.382 68.522 68.868 0.060 0.000 0.871 199 T HN 0.509 nan 8.240 nan 0.000 0.454 200 L N 0.088 121.292 121.223 -0.032 0.000 2.478 200 L HA 0.196 4.536 4.340 0.000 0.000 0.223 200 L C 1.738 178.543 176.870 -0.107 0.000 1.140 200 L CA 0.519 55.305 54.840 -0.090 0.000 0.842 200 L CB -0.355 41.613 42.059 -0.152 0.000 0.953 200 L HN 0.482 nan 8.230 nan 0.000 0.452 201 G N 0.945 109.703 108.800 -0.070 0.000 2.142 201 G HA2 -0.250 3.710 3.960 0.000 0.000 0.225 201 G HA3 -0.250 3.710 3.960 0.000 0.000 0.225 201 G C -0.108 174.746 174.900 -0.076 0.000 1.015 201 G CA -0.376 44.682 45.100 -0.071 0.000 0.716 201 G HN 0.227 nan 8.290 nan 0.000 0.508 202 I N 0.822 121.357 120.570 -0.058 0.000 2.353 202 I HA 0.302 4.472 4.170 0.000 0.000 0.293 202 I C 0.145 176.260 176.117 -0.005 0.000 0.992 202 I CA -0.764 60.511 61.300 -0.042 0.000 1.268 202 I CB 1.351 39.338 38.000 -0.022 0.000 1.387 202 I HN 0.056 nan 8.210 nan 0.000 0.478 203 D N 5.425 125.818 120.400 -0.012 0.000 2.358 203 D HA 0.066 4.706 4.640 0.000 0.000 0.258 203 D C 0.751 177.076 176.300 0.042 0.000 1.223 203 D CA 0.052 54.055 54.000 0.005 0.000 0.886 203 D CB 1.389 42.182 40.800 -0.012 0.000 1.120 203 D HN 0.348 nan 8.370 nan 0.000 0.482 204 V N 1.105 121.054 119.914 0.059 0.000 3.644 204 V HA 0.157 4.277 4.120 0.000 0.000 0.267 204 V C 0.577 176.721 176.094 0.084 0.000 1.277 204 V CA 0.276 62.633 62.300 0.095 0.000 1.096 204 V CB 0.140 32.025 31.823 0.104 0.000 0.828 204 V HN 0.481 nan 8.190 nan 0.000 0.446 205 D N 0.870 121.304 120.400 0.057 0.000 2.587 205 D HA 0.308 4.948 4.640 0.000 0.000 0.233 205 D C 0.050 176.376 176.300 0.044 0.000 1.213 205 D CA 0.116 54.146 54.000 0.050 0.000 0.827 205 D CB 1.228 42.050 40.800 0.037 0.000 1.006 205 D HN 0.382 nan 8.370 nan 0.000 0.490 206 V N 1.056 121.001 119.914 0.051 0.000 2.709 206 V HA 0.281 4.401 4.120 0.000 0.000 0.308 206 V C -2.338 173.796 176.094 0.067 0.000 1.062 206 V CA -2.120 60.205 62.300 0.041 0.000 0.901 206 V CB 2.816 34.648 31.823 0.014 0.000 1.003 206 V HN -0.103 nan 8.190 nan 0.000 0.425 207 P HA -0.105 nan 4.420 nan 0.000 0.263 207 P C 0.480 177.857 177.300 0.129 0.000 1.175 207 P CA 0.404 63.565 63.100 0.103 0.000 0.761 207 P CB 0.416 32.159 31.700 0.072 0.000 0.794 208 W N 6.272 127.577 121.300 0.008 0.000 2.335 208 W HA -0.241 4.419 4.660 0.000 0.000 0.311 208 W C 1.609 178.134 176.519 0.010 0.000 1.213 208 W CA 1.824 59.173 57.345 0.006 0.000 1.274 208 W CB -0.289 29.165 29.460 -0.009 0.000 1.148 208 W HN 0.393 nan 8.180 nan 0.000 0.498 209 R N 1.267 121.864 120.500 0.162 0.000 2.303 209 R HA -0.203 4.137 4.340 0.000 0.000 0.225 209 R C 1.465 177.741 176.300 -0.039 0.000 1.114 209 R CA 2.070 58.207 56.100 0.063 0.000 1.007 209 R CB -0.917 29.445 30.300 0.105 0.000 0.861 209 R HN 0.414 nan 8.270 nan 0.000 0.471 210 E N 0.619 120.780 120.200 -0.065 0.000 2.538 210 E HA 0.151 4.501 4.350 0.000 0.000 0.207 210 E C -0.200 176.329 176.600 -0.118 0.000 1.002 210 E CA -0.442 55.915 56.400 -0.070 0.000 0.952 210 E CB 0.224 29.906 29.700 -0.030 0.000 1.031 210 E HN 0.229 nan 8.360 nan 0.000 0.476 211 L N 2.401 123.496 121.223 -0.215 0.000 2.417 211 L HA 0.319 4.660 4.340 0.000 0.000 0.268 211 L C -2.031 174.702 176.870 -0.228 0.000 1.158 211 L CA -2.171 52.516 54.840 -0.254 0.000 0.819 211 L CB 0.074 41.885 42.059 -0.414 0.000 1.112 211 L HN -0.113 nan 8.230 nan 0.000 0.458 212 P HA -0.068 nan 4.420 nan 0.000 0.267 212 P C 0.246 177.478 177.300 -0.114 0.000 1.201 212 P CA 0.039 63.071 63.100 -0.114 0.000 0.775 212 P CB 0.614 32.260 31.700 -0.090 0.000 0.854 213 E N 1.657 121.822 120.200 -0.059 0.000 2.153 213 E HA -0.246 4.104 4.350 0.000 0.000 0.194 213 E C 1.648 178.279 176.600 0.052 0.000 0.988 213 E CA 1.396 57.791 56.400 -0.008 0.000 0.811 213 E CB -0.289 29.416 29.700 0.009 0.000 0.746 213 E HN 0.455 nan 8.360 nan 0.000 0.466 214 E N -0.497 119.721 120.200 0.029 0.000 2.038 214 E HA -0.182 4.168 4.350 0.000 0.000 0.195 214 E C 1.879 178.550 176.600 0.118 0.000 1.000 214 E CA 2.354 58.798 56.400 0.073 0.000 0.803 214 E CB -0.624 29.081 29.700 0.009 0.000 0.750 214 E HN 0.262 nan 8.360 nan 0.000 0.448 215 T N 0.422 114.981 114.554 0.009 0.000 2.720 215 T HA -0.127 4.223 4.350 0.000 0.000 0.268 215 T C 1.891 176.630 174.700 0.064 0.000 1.037 215 T CA 1.623 63.718 62.100 -0.009 0.000 1.144 215 T CB -0.234 68.557 68.868 -0.128 0.000 0.864 215 T HN 0.192 nan 8.240 nan 0.000 0.444 216 R N -0.214 120.258 120.500 -0.047 0.000 2.093 216 R HA 0.026 4.366 4.340 0.000 0.000 0.224 216 R C 2.519 178.980 176.300 0.267 0.000 1.101 216 R CA 0.840 56.904 56.100 -0.061 0.000 0.979 216 R CB -0.411 29.712 30.300 -0.295 0.000 0.877 216 R HN 0.515 nan 8.270 nan 0.000 0.441 217 H N -0.237 118.969 119.070 0.227 0.000 2.353 217 H HA -0.198 4.358 4.556 0.000 0.000 0.300 217 H C 1.771 177.307 175.328 0.347 0.000 1.090 217 H CA 1.834 58.091 56.048 0.348 0.000 1.327 217 H CB -0.104 29.842 29.762 0.307 0.000 1.383 217 H HN 0.286 nan 8.280 nan 0.000 0.508 218 W N 1.418 122.815 121.300 0.161 0.000 2.332 218 W HA -0.188 4.472 4.660 0.000 0.000 0.321 218 W C 2.548 179.140 176.519 0.121 0.000 1.219 218 W CA 2.075 59.484 57.345 0.108 0.000 1.277 218 W CB -0.667 28.843 29.460 0.084 0.000 1.161 218 W HN 0.126 nan 8.180 nan 0.000 0.476 219 I N 0.007 120.846 120.570 0.448 0.000 2.264 219 I HA -0.328 3.842 4.170 0.000 0.000 0.248 219 I C 2.145 178.298 176.117 0.059 0.000 1.111 219 I CA 0.926 62.479 61.300 0.421 0.000 1.382 219 I CB -0.661 37.685 38.000 0.577 0.000 1.060 219 I HN 0.048 nan 8.210 nan 0.000 0.418 220 L N -0.891 120.243 121.223 -0.148 0.000 2.068 220 L HA -0.064 4.276 4.340 0.000 0.000 0.204 220 L C 1.762 178.172 176.870 -0.767 0.000 1.076 220 L CA 2.053 56.511 54.840 -0.636 0.000 0.753 220 L CB -0.662 40.779 42.059 -1.028 0.000 0.910 220 L HN 0.129 nan 8.230 nan 0.000 0.439 221 F N -1.876 117.945 119.950 -0.215 0.000 2.740 221 F HA 0.185 4.712 4.527 0.000 0.000 0.304 221 F C 1.235 176.902 175.800 -0.222 0.000 1.098 221 F CA -0.420 57.435 58.000 -0.243 0.000 1.258 221 F CB -0.917 37.873 39.000 -0.350 0.000 1.061 221 F HN -0.111 nan 8.300 nan 0.000 0.598 222 T N -1.525 112.932 114.554 -0.162 0.000 2.916 222 T HA 0.032 4.382 4.350 0.000 0.000 0.303 222 T C 0.206 174.828 174.700 -0.130 0.000 1.025 222 T CA -0.368 61.618 62.100 -0.189 0.000 1.142 222 T CB 1.035 69.612 68.868 -0.484 0.000 0.947 222 T HN 0.030 nan 8.240 nan 0.000 0.544 223 D N 1.778 122.149 120.400 -0.048 0.000 3.060 223 D HA 0.172 4.812 4.640 0.000 0.000 0.245 223 D C 0.011 176.311 176.300 0.001 0.000 1.274 223 D CA -0.202 53.788 54.000 -0.016 0.000 0.864 223 D CB -0.206 40.602 40.800 0.013 0.000 1.073 223 D HN 0.684 nan 8.370 nan 0.000 0.473 224 E N 0.066 120.253 120.200 -0.022 0.000 2.212 224 E HA 0.353 4.703 4.350 0.000 0.000 0.268 224 E C -0.553 176.126 176.600 0.131 0.000 0.902 224 E CA -0.581 55.851 56.400 0.053 0.000 0.779 224 E CB 1.223 30.971 29.700 0.081 0.000 1.172 224 E HN 0.132 nan 8.360 nan 0.000 0.409 225 Q N 3.108 123.005 119.800 0.162 0.000 3.394 225 Q HA 0.277 4.617 4.340 0.000 0.000 0.285 225 Q C -2.448 173.669 176.000 0.194 0.000 0.866 225 Q CA -1.628 54.297 55.803 0.204 0.000 0.844 225 Q CB 1.354 30.148 28.738 0.093 0.000 1.472 225 Q HN 0.304 nan 8.270 nan 0.000 0.401 226 P HA 0.053 nan 4.420 nan 0.000 0.271 226 P C -0.432 176.953 177.300 0.142 0.000 1.218 226 P CA -0.222 62.974 63.100 0.161 0.000 0.780 226 P CB 0.923 32.711 31.700 0.148 0.000 0.901 227 V N 3.836 123.806 119.914 0.093 0.000 2.333 227 V HA 0.333 4.453 4.120 0.000 0.000 0.274 227 V C 0.434 176.553 176.094 0.043 0.000 1.028 227 V CA -0.451 61.892 62.300 0.072 0.000 0.851 227 V CB 1.152 33.011 31.823 0.059 0.000 1.000 227 V HN 0.457 nan 8.190 nan 0.000 0.456 228 V N 4.028 123.957 119.914 0.025 0.000 2.864 228 V HA 0.762 4.882 4.120 0.000 0.000 0.314 228 V C -2.822 173.220 176.094 -0.087 0.000 1.073 228 V CA -3.054 59.240 62.300 -0.009 0.000 0.956 228 V CB 2.188 34.016 31.823 0.007 0.000 1.023 228 V HN 0.615 nan 8.190 nan 0.000 0.435 229 P HA 0.272 nan 4.420 nan 0.000 0.265 229 P C -0.665 176.391 177.300 -0.408 0.000 1.222 229 P CA 0.197 63.146 63.100 -0.252 0.000 0.767 229 P CB 0.703 32.356 31.700 -0.079 0.000 0.801 230 V N 5.878 125.389 119.914 -0.672 0.000 2.384 230 V HA 0.289 4.409 4.120 0.000 0.000 0.287 230 V C -0.553 175.138 176.094 -0.671 0.000 1.020 230 V CA -0.393 61.523 62.300 -0.640 0.000 0.850 230 V CB 0.755 32.023 31.823 -0.925 0.000 0.987 230 V HN 0.372 nan 8.190 nan 0.000 0.436 231 Y N 5.165 125.378 120.300 -0.144 0.000 2.863 231 Y HA 0.454 5.004 4.550 0.000 0.000 0.348 231 Y C -2.403 173.492 175.900 -0.008 0.000 1.028 231 Y CA -3.127 54.940 58.100 -0.055 0.000 1.213 231 Y CB 0.615 39.053 38.460 -0.036 0.000 1.120 231 Y HN 0.494 nan 8.280 nan 0.000 0.598 232 P HA 0.219 nan 4.420 nan 0.000 0.268 232 P C 0.938 178.314 177.300 0.127 0.000 1.204 232 P CA 0.749 63.935 63.100 0.143 0.000 0.768 232 P CB 0.984 32.807 31.700 0.205 0.000 0.842 233 G N 1.634 110.492 108.800 0.097 0.000 2.141 233 G HA2 -0.182 3.778 3.960 0.000 0.000 0.231 233 G HA3 -0.182 3.778 3.960 0.000 0.000 0.231 233 G C -0.264 174.674 174.900 0.062 0.000 0.984 233 G CA -0.472 44.674 45.100 0.077 0.000 0.660 233 G HN 0.443 nan 8.290 nan 0.000 0.525 234 L N 0.453 121.714 121.223 0.063 0.000 2.331 234 L HA 0.612 4.952 4.340 0.000 0.000 0.275 234 L C 0.963 177.844 176.870 0.018 0.000 1.022 234 L CA -0.803 54.056 54.840 0.031 0.000 0.812 234 L CB 1.829 43.893 42.059 0.009 0.000 1.257 234 L HN 0.128 nan 8.230 nan 0.000 0.435 235 T N 1.989 116.543 114.554 0.001 0.000 2.860 235 T HA 0.117 4.467 4.350 0.000 0.000 0.299 235 T C -1.571 173.121 174.700 -0.012 0.000 1.045 235 T CA -1.107 60.992 62.100 -0.001 0.000 1.071 235 T CB 1.365 70.231 68.868 -0.004 0.000 0.985 235 T HN 0.395 nan 8.240 nan 0.000 0.537 236 P HA -0.132 nan 4.420 nan 0.000 0.217 236 P C 1.027 178.308 177.300 -0.031 0.000 1.151 236 P CA 1.244 64.336 63.100 -0.013 0.000 0.849 236 P CB 0.064 31.761 31.700 -0.005 0.000 0.787 237 A N -0.423 122.379 122.820 -0.031 0.000 1.898 237 A HA -0.168 4.152 4.320 0.000 0.000 0.214 237 A C 2.159 179.707 177.584 -0.059 0.000 1.183 237 A CA 1.334 53.347 52.037 -0.040 0.000 0.622 237 A CB -1.044 17.938 19.000 -0.030 0.000 0.824 237 A HN 0.145 nan 8.150 nan 0.000 0.444 238 E N -1.140 119.024 120.200 -0.060 0.000 2.153 238 E HA -0.137 4.213 4.350 0.000 0.000 0.194 238 E C 1.978 178.489 176.600 -0.148 0.000 0.988 238 E CA 1.369 57.719 56.400 -0.084 0.000 0.811 238 E CB -0.223 29.440 29.700 -0.061 0.000 0.746 238 E HN 0.546 nan 8.360 nan 0.000 0.466 239 T N 0.247 114.715 114.554 -0.143 0.000 2.821 239 T HA -0.124 4.227 4.350 0.000 0.000 0.267 239 T C 1.801 176.364 174.700 -0.228 0.000 1.046 239 T CA 0.897 62.862 62.100 -0.226 0.000 1.139 239 T CB 0.069 68.882 68.868 -0.092 0.000 0.871 239 T HN 0.029 nan 8.240 nan 0.000 0.454 240 Q N 0.755 120.475 119.800 -0.133 0.000 2.172 240 Q HA -0.028 4.312 4.340 0.000 0.000 0.200 240 Q C 2.388 178.323 176.000 -0.109 0.000 0.964 240 Q CA 1.133 56.875 55.803 -0.101 0.000 0.855 240 Q CB -0.153 28.545 28.738 -0.067 0.000 0.918 240 Q HN 0.626 nan 8.270 nan 0.000 0.444 241 R N -0.396 120.034 120.500 -0.117 0.000 2.246 241 R HA 0.229 4.569 4.340 0.000 0.000 0.199 241 R C 1.792 178.010 176.300 -0.136 0.000 0.984 241 R CA 1.071 57.110 56.100 -0.103 0.000 1.015 241 R CB -0.649 29.605 30.300 -0.077 0.000 0.930 241 R HN 0.038 nan 8.270 nan 0.000 0.475 242 A N 0.988 123.668 122.820 -0.234 0.000 2.016 242 A HA 0.089 4.409 4.320 0.000 0.000 0.217 242 A C 1.969 179.377 177.584 -0.293 0.000 1.162 242 A CA 0.791 52.629 52.037 -0.331 0.000 0.662 242 A CB -0.296 18.323 19.000 -0.634 0.000 0.812 242 A HN 0.306 nan 8.150 nan 0.000 0.450 243 L N -0.580 120.493 121.223 -0.250 0.000 2.131 243 L HA -0.017 4.323 4.340 0.000 0.000 0.206 243 L C 2.201 179.051 176.870 -0.032 0.000 1.087 243 L CA 1.600 56.398 54.840 -0.070 0.000 0.767 243 L CB -0.265 41.773 42.059 -0.036 0.000 0.917 243 L HN 0.139 nan 8.230 nan 0.000 0.441 244 K N 0.023 120.390 120.400 -0.056 0.000 2.009 244 K HA -0.195 4.125 4.320 0.000 0.000 0.210 244 K C 2.066 178.652 176.600 -0.024 0.000 1.049 244 K CA 1.555 57.820 56.287 -0.036 0.000 0.929 244 K CB -0.215 32.259 32.500 -0.044 0.000 0.714 244 K HN 0.362 nan 8.250 nan 0.000 0.440 245 K N 0.764 121.144 120.400 -0.032 0.000 2.283 245 K HA -0.067 4.253 4.320 0.000 0.000 0.202 245 K C 0.194 176.797 176.600 0.005 0.000 1.048 245 K CA 0.418 56.696 56.287 -0.016 0.000 0.948 245 K CB 0.017 32.503 32.500 -0.023 0.000 0.742 245 K HN 0.134 nan 8.250 nan 0.000 0.458 246 K N 0.802 121.212 120.400 0.017 0.000 3.125 246 K HA -0.179 4.141 4.320 0.000 0.000 0.268 246 K C -0.132 176.511 176.600 0.073 0.000 1.078 246 K CA 0.449 56.768 56.287 0.053 0.000 0.775 246 K CB -1.626 30.897 32.500 0.038 0.000 1.253 246 K HN 0.249 nan 8.250 nan 0.000 0.486 247 M N -1.151 118.500 119.600 0.086 0.000 2.163 247 M HA 0.278 4.758 4.480 0.000 0.000 0.305 247 M C 0.308 176.729 176.300 0.202 0.000 1.166 247 M CA -0.005 55.361 55.300 0.110 0.000 1.132 247 M CB 0.494 33.138 32.600 0.073 0.000 1.413 247 M HN -0.083 nan 8.290 nan 0.000 0.478 248 E N 2.214 122.506 120.200 0.153 0.000 2.498 248 E HA 0.151 4.501 4.350 0.000 0.000 0.252 248 E C -2.232 174.423 176.600 0.092 0.000 1.025 248 E CA -1.028 55.435 56.400 0.106 0.000 0.938 248 E CB -0.355 29.385 29.700 0.067 0.000 0.947 248 E HN 0.459 nan 8.360 nan 0.000 0.478 249 P HA 0.009 nan 4.420 nan 0.000 0.271 249 P C 0.660 177.782 177.300 -0.297 0.000 1.218 249 P CA -0.003 62.737 63.100 -0.600 0.000 0.780 249 P CB 0.821 32.218 31.700 -0.504 0.000 0.901 250 S N 1.747 117.255 115.700 -0.320 0.000 2.436 250 S HA 0.016 4.486 4.470 0.000 0.000 0.228 250 S C 0.123 174.792 174.600 0.115 0.000 1.014 250 S CA 0.702 58.880 58.200 -0.036 0.000 0.950 250 S CB -0.536 62.702 63.200 0.064 0.000 0.784 250 S HN 0.557 nan 8.310 nan 0.000 0.504 251 Y N -2.074 118.169 120.300 -0.094 0.000 2.779 251 Y HA 0.637 5.187 4.550 0.000 0.000 0.340 251 Y C -1.334 174.533 175.900 -0.056 0.000 1.252 251 Y CA -1.651 56.425 58.100 -0.041 0.000 1.072 251 Y CB 0.439 38.914 38.460 0.025 0.000 1.343 251 Y HN -0.201 nan 8.280 nan 0.000 0.450 252 M N 2.669 122.352 119.600 0.138 0.000 2.061 252 M HA 0.479 4.959 4.480 0.000 0.000 0.346 252 M C 0.067 176.470 176.300 0.171 0.000 1.112 252 M CA -0.781 54.541 55.300 0.038 0.000 1.021 252 M CB 0.453 33.084 32.600 0.051 0.000 1.530 252 M HN 0.943 nan 8.290 nan 0.000 0.437 253 G N 2.543 111.361 108.800 0.030 0.000 2.348 253 G HA2 0.577 4.537 3.960 0.000 0.000 0.312 253 G HA3 0.577 4.537 3.960 0.000 0.000 0.312 253 G C -0.643 174.317 174.900 0.099 0.000 1.126 253 G CA -0.269 44.913 45.100 0.137 0.000 0.865 253 G HN 0.589 nan 8.290 nan 0.000 0.474 254 T N 2.546 117.165 114.554 0.109 0.000 2.756 254 T HA 0.289 4.639 4.350 0.000 0.000 0.290 254 T C -0.348 174.398 174.700 0.076 0.000 0.985 254 T CA -0.249 61.908 62.100 0.095 0.000 0.955 254 T CB 0.899 69.811 68.868 0.073 0.000 0.930 254 T HN 0.363 nan 8.240 nan 0.000 0.451 255 F N 2.911 122.853 119.950 -0.013 0.000 2.506 255 F HA 0.432 4.959 4.527 0.000 0.000 0.351 255 F C 0.640 176.411 175.800 -0.049 0.000 1.136 255 F CA 0.337 58.318 58.000 -0.032 0.000 1.298 255 F CB 0.605 39.634 39.000 0.049 0.000 1.145 255 F HN 0.469 nan 8.300 nan 0.000 0.593 256 S N 3.665 118.756 115.700 -1.014 0.000 2.614 256 S HA 0.460 4.930 4.470 0.000 0.000 0.275 256 S C -0.773 173.255 174.600 -0.954 0.000 1.161 256 S CA -0.494 57.282 58.200 -0.707 0.000 0.969 256 S CB 0.586 63.595 63.200 -0.320 0.000 1.059 256 S HN 1.008 nan 8.310 nan 0.000 0.482 257 S N 3.881 119.251 115.700 -0.550 0.000 2.587 257 S HA 0.541 5.011 4.470 0.000 0.000 0.260 257 S C 1.650 176.204 174.600 -0.076 0.000 1.353 257 S CA -0.098 57.953 58.200 -0.248 0.000 0.995 257 S CB 0.555 63.667 63.200 -0.147 0.000 0.912 257 S HN 1.235 nan 8.310 nan 0.000 0.568 258 A N 1.762 124.486 122.820 -0.160 0.000 1.845 258 A HA -0.105 4.215 4.320 0.000 0.000 0.215 258 A C 2.287 179.809 177.584 -0.104 0.000 1.195 258 A CA 1.620 53.518 52.037 -0.230 0.000 0.616 258 A CB -1.099 17.561 19.000 -0.567 0.000 0.832 258 A HN 0.940 nan 8.150 nan 0.000 0.443 259 R N -0.143 120.265 120.500 -0.154 0.000 2.133 259 R HA -0.282 4.058 4.340 0.000 0.000 0.245 259 R C 2.371 178.684 176.300 0.022 0.000 1.137 259 R CA 2.399 58.481 56.100 -0.030 0.000 0.947 259 R CB -0.475 29.863 30.300 0.063 0.000 0.865 259 R HN 0.532 nan 8.270 nan 0.000 0.437 260 R N -0.234 120.273 120.500 0.012 0.000 2.097 260 R HA -0.229 4.111 4.340 0.000 0.000 0.236 260 R C 2.743 179.095 176.300 0.086 0.000 1.135 260 R CA 2.259 58.377 56.100 0.030 0.000 0.934 260 R CB -0.841 29.444 30.300 -0.025 0.000 0.846 260 R HN 0.517 nan 8.270 nan 0.000 0.431 261 H N -0.142 118.938 119.070 0.018 0.000 2.319 261 H HA -0.115 4.441 4.556 0.000 0.000 0.299 261 H C 1.875 177.262 175.328 0.097 0.000 1.092 261 H CA 2.221 58.313 56.048 0.074 0.000 1.302 261 H CB -0.049 29.758 29.762 0.076 0.000 1.373 261 H HN 0.186 nan 8.280 nan 0.000 0.497 262 V N 1.604 121.503 119.914 -0.025 0.000 2.287 262 V HA -0.281 3.839 4.120 0.000 0.000 0.248 262 V C 3.119 179.198 176.094 -0.026 0.000 1.053 262 V CA 1.831 64.095 62.300 -0.061 0.000 1.027 262 V CB -0.697 31.130 31.823 0.007 0.000 0.646 262 V HN 0.326 nan 8.190 nan 0.000 0.447 263 L N -0.664 120.573 121.223 0.024 0.000 2.027 263 L HA -0.177 4.163 4.340 0.000 0.000 0.206 263 L C 2.644 179.576 176.870 0.103 0.000 1.074 263 L CA 2.004 56.889 54.840 0.074 0.000 0.745 263 L CB -0.881 41.225 42.059 0.078 0.000 0.898 263 L HN 0.426 nan 8.230 nan 0.000 0.433 264 H N -0.082 118.978 119.070 -0.017 0.000 2.421 264 H HA -0.142 4.414 4.556 0.000 0.000 0.298 264 H C 2.090 177.387 175.328 -0.052 0.000 1.087 264 H CA 2.085 58.117 56.048 -0.027 0.000 1.330 264 H CB 0.013 29.759 29.762 -0.028 0.000 1.388 264 H HN 0.130 nan 8.280 nan 0.000 0.526 265 T N -0.389 114.049 114.554 -0.193 0.000 2.852 265 T HA -0.078 4.272 4.350 0.000 0.000 0.256 265 T C 1.663 176.283 174.700 -0.132 0.000 1.038 265 T CA 0.918 62.873 62.100 -0.243 0.000 1.141 265 T CB -0.541 68.132 68.868 -0.325 0.000 0.869 265 T HN 0.309 nan 8.240 nan 0.000 0.439 266 F N 2.322 122.164 119.950 -0.180 0.000 2.161 266 F HA -0.055 4.472 4.527 0.000 0.000 0.300 266 F C 2.358 178.080 175.800 -0.131 0.000 1.089 266 F CA 1.074 58.986 58.000 -0.146 0.000 1.282 266 F CB -0.370 38.547 39.000 -0.138 0.000 1.010 266 F HN 0.140 nan 8.300 nan 0.000 0.485 267 A N 0.193 122.994 122.820 -0.031 0.000 1.968 267 A HA -0.102 4.218 4.320 0.000 0.000 0.217 267 A C 1.139 178.613 177.584 -0.183 0.000 1.169 267 A CA 1.372 53.355 52.037 -0.089 0.000 0.638 267 A CB -0.658 18.336 19.000 -0.009 0.000 0.812 267 A HN 0.646 nan 8.150 nan 0.000 0.446 268 N N -0.541 118.024 118.700 -0.225 0.000 2.545 268 N HA 0.037 4.778 4.740 0.000 0.000 0.283 268 N C -0.744 174.645 175.510 -0.201 0.000 1.596 268 N CA 0.102 53.026 53.050 -0.210 0.000 0.862 268 N CB -0.033 38.337 38.487 -0.195 0.000 1.422 268 N HN 0.172 nan 8.380 nan 0.000 0.489 269 T N -1.011 113.427 114.554 -0.192 0.000 2.904 269 T HA 0.222 4.572 4.350 0.000 0.000 0.290 269 T C 1.074 175.711 174.700 -0.106 0.000 1.018 269 T CA -0.424 61.592 62.100 -0.140 0.000 1.075 269 T CB 2.112 70.909 68.868 -0.120 0.000 0.986 269 T HN 0.004 nan 8.240 nan 0.000 0.523 270 E N 0.801 120.958 120.200 -0.072 0.000 2.427 270 E HA 0.003 4.353 4.350 0.000 0.000 0.196 270 E C 1.424 177.995 176.600 -0.048 0.000 1.028 270 E CA 0.200 56.568 56.400 -0.054 0.000 0.864 270 E CB -0.044 29.635 29.700 -0.034 0.000 0.813 270 E HN 0.767 nan 8.360 nan 0.000 0.514 271 S N -0.426 115.245 115.700 -0.049 0.000 2.634 271 S HA 0.427 4.897 4.470 0.000 0.000 0.261 271 S C 0.887 175.458 174.600 -0.048 0.000 1.271 271 S CA -0.015 58.164 58.200 -0.034 0.000 0.985 271 S CB 1.801 64.989 63.200 -0.020 0.000 0.968 271 S HN 0.046 nan 8.310 nan 0.000 0.568 272 A N 0.050 122.851 122.820 -0.031 0.000 2.226 272 A HA 0.417 4.737 4.320 0.000 0.000 0.207 272 A C 1.747 179.318 177.584 -0.023 0.000 1.293 272 A CA 0.256 52.272 52.037 -0.036 0.000 0.968 272 A CB -0.242 18.743 19.000 -0.025 0.000 1.044 272 A HN 0.703 nan 8.150 nan 0.000 0.493 273 S N -0.905 114.791 115.700 -0.005 0.000 2.505 273 S HA 0.192 4.662 4.470 0.000 0.000 0.216 273 S C 1.473 176.087 174.600 0.023 0.000 1.018 273 S CA 0.152 58.358 58.200 0.011 0.000 0.911 273 S CB 0.059 63.271 63.200 0.021 0.000 0.818 273 S HN 0.494 nan 8.310 nan 0.000 0.497 274 M N 1.276 120.888 119.600 0.020 0.000 2.561 274 M HA 0.176 4.656 4.480 0.000 0.000 0.238 274 M C 1.749 178.064 176.300 0.025 0.000 1.131 274 M CA 0.684 56.007 55.300 0.038 0.000 1.046 274 M CB 0.027 32.651 32.600 0.039 0.000 1.532 274 M HN 0.045 nan 8.290 nan 0.000 0.497 275 K N 0.753 121.147 120.400 -0.010 0.000 2.202 275 K HA -0.075 4.245 4.320 0.000 0.000 0.201 275 K C 1.700 178.316 176.600 0.026 0.000 1.051 275 K CA 0.887 57.151 56.287 -0.038 0.000 0.977 275 K CB -0.015 32.405 32.500 -0.133 0.000 0.792 275 K HN 0.278 nan 8.250 nan 0.000 0.469 276 K N 0.818 121.228 120.400 0.017 0.000 2.217 276 K HA -0.069 4.251 4.320 0.000 0.000 0.202 276 K C 2.176 178.791 176.600 0.024 0.000 1.051 276 K CA 0.652 56.953 56.287 0.022 0.000 0.952 276 K CB 0.113 32.619 32.500 0.010 0.000 0.736 276 K HN 0.002 nan 8.250 nan 0.000 0.453 277 R N 0.239 120.770 120.500 0.051 0.000 2.062 277 R HA -0.034 4.306 4.340 0.000 0.000 0.226 277 R C 2.041 178.422 176.300 0.135 0.000 1.125 277 R CA 0.967 57.115 56.100 0.080 0.000 0.966 277 R CB -0.074 30.301 30.300 0.124 0.000 0.861 277 R HN 0.036 nan 8.270 nan 0.000 0.433 278 V N 1.005 121.022 119.914 0.171 0.000 2.626 278 V HA -0.215 3.905 4.120 0.000 0.000 0.252 278 V C 2.242 178.413 176.094 0.129 0.000 1.067 278 V CA 1.613 64.047 62.300 0.224 0.000 1.081 278 V CB -0.324 31.604 31.823 0.175 0.000 0.686 278 V HN 0.373 nan 8.190 nan 0.000 0.468 279 Q N 0.264 120.105 119.800 0.069 0.000 2.170 279 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 279 Q C 2.189 178.127 176.000 -0.103 0.000 0.976 279 Q CA 1.791 57.572 55.803 -0.037 0.000 0.858 279 Q CB -0.588 28.160 28.738 0.015 0.000 0.907 279 Q HN 0.644 nan 8.270 nan 0.000 0.433 280 G N -1.364 107.317 108.800 -0.197 0.000 2.498 280 G HA2 -0.212 3.748 3.960 0.000 0.000 0.219 280 G HA3 -0.212 3.748 3.960 0.000 0.000 0.219 280 G C 0.260 174.836 174.900 -0.540 0.000 1.119 280 G CA 0.524 45.381 45.100 -0.405 0.000 0.766 280 G HN 0.384 nan 8.290 nan 0.000 0.552 281 Y N -0.441 119.837 120.300 -0.036 0.000 2.658 281 Y HA 0.578 5.128 4.550 0.000 0.000 0.276 281 Y C 0.857 176.724 175.900 -0.056 0.000 1.167 281 Y CA -0.490 57.578 58.100 -0.053 0.000 1.230 281 Y CB 0.011 38.431 38.460 -0.067 0.000 1.144 281 Y HN 0.004 nan 8.280 nan 0.000 0.529 282 M N -0.156 119.454 119.600 0.017 0.000 2.796 282 M HA 0.534 5.014 4.480 0.000 0.000 0.303 282 M C -1.036 175.292 176.300 0.047 0.000 1.240 282 M CA -0.867 54.441 55.300 0.014 0.000 0.831 282 M CB 2.071 34.624 32.600 -0.080 0.000 1.750 282 M HN -0.230 nan 8.290 nan 0.000 0.484 283 I N 0.493 121.108 120.570 0.075 0.000 2.377 283 I HA 0.295 4.465 4.170 0.000 0.000 0.293 283 I C -0.170 175.991 176.117 0.072 0.000 0.987 283 I CA -0.380 60.955 61.300 0.057 0.000 1.185 283 I CB 1.300 39.317 38.000 0.027 0.000 1.341 283 I HN 0.554 nan 8.210 nan 0.000 0.455 284 S N 6.245 121.961 115.700 0.027 0.000 2.466 284 S HA 0.329 4.799 4.470 0.000 0.000 0.313 284 S C -0.233 174.268 174.600 -0.164 0.000 1.078 284 S CA -0.536 57.634 58.200 -0.050 0.000 1.115 284 S CB -0.266 62.969 63.200 0.057 0.000 1.006 284 S HN 0.548 nan 8.310 nan 0.000 0.487 285 E N 3.231 123.244 120.200 -0.311 0.000 2.145 285 E HA 0.257 4.607 4.350 0.000 0.000 0.270 285 E C -0.887 175.575 176.600 -0.231 0.000 0.906 285 E CA -0.818 55.452 56.400 -0.218 0.000 0.761 285 E CB 1.156 30.752 29.700 -0.174 0.000 1.116 285 E HN 0.520 nan 8.360 nan 0.000 0.408 286 E N 1.398 121.517 120.200 -0.136 0.000 2.351 286 E HA -0.008 4.342 4.350 0.000 0.000 0.266 286 E C -0.542 176.002 176.600 -0.094 0.000 1.031 286 E CA -0.169 56.173 56.400 -0.096 0.000 0.911 286 E CB 0.421 30.099 29.700 -0.037 0.000 0.986 286 E HN 0.380 nan 8.360 nan 0.000 0.446 287 C N 7.411 126.647 119.300 -0.108 0.000 2.651 287 C HA 0.115 4.575 4.460 0.000 0.000 0.410 287 C C -0.866 174.040 174.990 -0.141 0.000 1.372 287 C CA -1.468 57.475 59.018 -0.126 0.000 1.707 287 C CB -0.014 27.647 27.740 -0.131 0.000 2.501 287 C HN 0.704 nan 8.230 nan 0.000 0.598 288 P HA -0.101 nan 4.420 nan 0.000 0.218 288 P C 1.589 178.567 177.300 -0.536 0.000 1.152 288 P CA 0.921 63.867 63.100 -0.257 0.000 0.826 288 P CB -0.012 31.612 31.700 -0.126 0.000 0.790 289 L N 0.966 121.992 121.223 -0.329 0.000 2.046 289 L HA -0.122 4.218 4.340 0.000 0.000 0.208 289 L C 2.414 179.097 176.870 -0.313 0.000 1.077 289 L CA 2.227 56.897 54.840 -0.284 0.000 0.747 289 L CB -1.084 40.873 42.059 -0.170 0.000 0.896 289 L HN 0.146 nan 8.230 nan 0.000 0.432 290 C N -4.073 115.066 119.300 -0.268 0.000 3.065 290 C HA 0.360 4.820 4.460 0.000 0.000 0.285 290 C C 1.381 176.321 174.990 -0.084 0.000 1.257 290 C CA 0.245 59.170 59.018 -0.154 0.000 1.691 290 C CB -1.249 26.434 27.740 -0.095 0.000 2.089 290 C HN 0.739 nan 8.230 nan 0.000 0.630 291 H N 0.798 119.843 119.070 -0.041 0.000 2.958 291 H HA -0.059 4.497 4.556 0.000 0.000 0.274 291 H C 1.280 176.587 175.328 -0.035 0.000 1.184 291 H CA 1.432 57.458 56.048 -0.037 0.000 1.143 291 H CB -1.585 28.160 29.762 -0.029 0.000 1.297 291 H HN 1.230 nan 8.280 nan 0.000 0.356 292 G N -0.135 108.682 108.800 0.029 0.000 2.203 292 G HA2 -0.297 3.663 3.960 0.000 0.000 0.231 292 G HA3 -0.297 3.663 3.960 0.000 0.000 0.231 292 G C 0.674 175.582 174.900 0.013 0.000 1.058 292 G CA 0.400 45.507 45.100 0.012 0.000 0.781 292 G HN 0.530 nan 8.290 nan 0.000 0.496 293 K N -0.642 119.761 120.400 0.005 0.000 2.360 293 K HA 0.268 4.588 4.320 0.000 0.000 0.196 293 K C 1.804 178.394 176.600 -0.017 0.000 1.049 293 K CA 0.129 56.415 56.287 -0.002 0.000 1.049 293 K CB 0.363 32.865 32.500 0.003 0.000 0.881 293 K HN 0.347 nan 8.250 nan 0.000 0.542 294 R N -0.727 119.759 120.500 -0.024 0.000 3.728 294 R HA -0.165 4.175 4.340 0.000 0.000 0.478 294 R C -0.645 175.632 176.300 -0.039 0.000 0.932 294 R CA 0.698 56.784 56.100 -0.024 0.000 1.317 294 R CB -1.894 28.402 30.300 -0.007 0.000 1.987 294 R HN 0.041 nan 8.270 nan 0.000 0.509 295 L N 0.567 121.757 121.223 -0.055 0.000 2.341 295 L HA 0.477 4.817 4.340 0.000 0.000 0.267 295 L C 0.811 177.623 176.870 -0.097 0.000 1.009 295 L CA -0.697 54.094 54.840 -0.082 0.000 0.819 295 L CB 1.394 43.396 42.059 -0.095 0.000 1.323 295 L HN -0.009 nan 8.230 nan 0.000 0.425 296 R N 0.299 120.726 120.500 -0.122 0.000 2.758 296 R HA -0.103 4.237 4.340 0.000 0.000 0.263 296 R C 0.914 177.140 176.300 -0.124 0.000 1.010 296 R CA 0.312 56.337 56.100 -0.124 0.000 1.114 296 R CB 0.451 30.661 30.300 -0.150 0.000 0.985 296 R HN 0.611 nan 8.270 nan 0.000 0.439 297 Q N 1.783 121.525 119.800 -0.096 0.000 2.119 297 Q HA -0.180 4.161 4.340 0.000 0.000 0.201 297 Q C 1.262 177.213 176.000 -0.081 0.000 0.972 297 Q CA 2.067 57.826 55.803 -0.074 0.000 0.847 297 Q CB 0.118 28.825 28.738 -0.052 0.000 0.903 297 Q HN 0.702 nan 8.270 nan 0.000 0.433 298 E N -0.341 119.799 120.200 -0.098 0.000 2.209 298 E HA -0.180 4.170 4.350 0.000 0.000 0.196 298 E C 1.598 178.101 176.600 -0.161 0.000 0.993 298 E CA 1.302 57.645 56.400 -0.096 0.000 0.819 298 E CB -0.442 29.206 29.700 -0.086 0.000 0.745 298 E HN 0.425 nan 8.360 nan 0.000 0.477 299 A N 1.283 123.951 122.820 -0.254 0.000 2.021 299 A HA 0.065 4.385 4.320 0.000 0.000 0.216 299 A C 2.185 179.697 177.584 -0.121 0.000 1.163 299 A CA 0.556 52.372 52.037 -0.368 0.000 0.676 299 A CB -0.401 18.237 19.000 -0.603 0.000 0.818 299 A HN 0.225 nan 8.150 nan 0.000 0.453 300 L N -0.319 120.850 121.223 -0.089 0.000 2.217 300 L HA 0.023 4.363 4.340 0.000 0.000 0.211 300 L C 1.382 178.251 176.870 -0.002 0.000 1.107 300 L CA 1.546 56.367 54.840 -0.031 0.000 0.783 300 L CB -0.336 41.707 42.059 -0.028 0.000 0.919 300 L HN 0.246 nan 8.230 nan 0.000 0.442 301 N N -0.685 118.002 118.700 -0.022 0.000 2.463 301 N HA 0.023 4.763 4.740 0.000 0.000 0.181 301 N C 0.082 175.575 175.510 -0.028 0.000 1.078 301 N CA 0.834 53.877 53.050 -0.011 0.000 0.902 301 N CB -0.007 38.474 38.487 -0.008 0.000 0.970 301 N HN 0.322 nan 8.380 nan 0.000 0.451 302 V N -2.017 117.864 119.914 -0.055 0.000 2.567 302 V HA 0.640 4.760 4.120 0.000 0.000 0.289 302 V C 0.288 176.468 176.094 0.143 0.000 1.049 302 V CA -0.262 61.978 62.300 -0.100 0.000 0.969 302 V CB 1.543 33.171 31.823 -0.325 0.000 0.995 302 V HN -0.090 nan 8.190 nan 0.000 0.471 303 T N 4.917 119.542 114.554 0.119 0.000 2.900 303 T HA 0.672 5.022 4.350 0.000 0.000 0.303 303 T C -1.681 173.069 174.700 0.083 0.000 1.142 303 T CA -0.270 61.940 62.100 0.183 0.000 1.007 303 T CB 1.432 70.356 68.868 0.094 0.000 1.156 303 T HN 0.815 nan 8.240 nan 0.000 0.490 304 F N 3.092 122.973 119.950 -0.115 0.000 2.671 304 F HA 0.556 5.083 4.527 0.000 0.000 0.332 304 F C 0.345 176.066 175.800 -0.132 0.000 1.189 304 F CA 0.215 58.029 58.000 -0.310 0.000 0.988 304 F CB 0.896 39.439 39.000 -0.763 0.000 1.258 304 F HN 0.889 nan 8.300 nan 0.000 0.471 305 A N 3.540 126.066 122.820 -0.490 0.000 2.905 305 A HA 0.134 4.454 4.320 0.000 0.000 0.260 305 A C 1.510 179.055 177.584 -0.065 0.000 1.398 305 A CA 1.203 53.103 52.037 -0.229 0.000 0.840 305 A CB -2.204 16.716 19.000 -0.133 0.000 1.059 305 A HN 2.623 nan 8.150 nan 0.000 0.647 306 G N -2.841 105.931 108.800 -0.045 0.000 2.147 306 G HA2 0.104 4.064 3.960 0.000 0.000 0.244 306 G HA3 0.104 4.064 3.960 0.000 0.000 0.244 306 G C -0.106 174.822 174.900 0.046 0.000 1.005 306 G CA 0.891 45.994 45.100 0.005 0.000 0.713 306 G HN 2.343 nan 8.290 nan 0.000 0.515 307 L N -2.373 118.906 121.223 0.092 0.000 2.472 307 L HA 0.800 5.140 4.340 0.000 0.000 0.260 307 L C -0.234 176.767 176.870 0.220 0.000 0.963 307 L CA -1.481 53.435 54.840 0.126 0.000 0.829 307 L CB 1.118 43.239 42.059 0.104 0.000 1.348 307 L HN 0.155 nan 8.230 nan 0.000 0.408 308 D N 1.096 121.584 120.400 0.147 0.000 2.360 308 D HA 0.306 4.946 4.640 0.000 0.000 0.242 308 D C 1.137 177.420 176.300 -0.028 0.000 1.184 308 D CA -0.341 53.721 54.000 0.103 0.000 0.930 308 D CB 0.759 41.579 40.800 0.032 0.000 1.161 308 D HN 0.535 nan 8.370 nan 0.000 0.447 309 I N -0.496 119.855 120.570 -0.364 0.000 2.185 309 I HA -0.284 3.886 4.170 0.000 0.000 0.246 309 I C 2.405 178.417 176.117 -0.176 0.000 1.088 309 I CA 2.150 63.133 61.300 -0.528 0.000 1.347 309 I CB -1.794 35.863 38.000 -0.572 0.000 1.041 309 I HN 0.720 nan 8.210 nan 0.000 0.415 310 T N -1.583 112.910 114.554 -0.103 0.000 2.857 310 T HA -0.084 4.266 4.350 0.000 0.000 0.266 310 T C 1.745 176.437 174.700 -0.013 0.000 1.048 310 T CA 1.233 63.305 62.100 -0.046 0.000 1.139 310 T CB -0.586 68.264 68.868 -0.030 0.000 0.874 310 T HN 0.481 nan 8.240 nan 0.000 0.455 311 E N 0.835 121.037 120.200 0.004 0.000 2.077 311 E HA -0.004 4.346 4.350 0.000 0.000 0.193 311 E C 2.234 178.859 176.600 0.042 0.000 0.989 311 E CA 0.907 57.323 56.400 0.027 0.000 0.800 311 E CB -0.287 29.437 29.700 0.040 0.000 0.746 311 E HN 0.399 nan 8.360 nan 0.000 0.452 312 L N 0.814 122.074 121.223 0.061 0.000 2.012 312 L HA -0.181 4.159 4.340 0.000 0.000 0.210 312 L C 2.169 179.065 176.870 0.043 0.000 1.073 312 L CA 1.210 56.101 54.840 0.084 0.000 0.748 312 L CB -0.137 42.017 42.059 0.157 0.000 0.891 312 L HN 0.077 nan 8.230 nan 0.000 0.431 313 S N -0.573 115.133 115.700 0.011 0.000 2.537 313 S HA -0.114 4.356 4.470 0.000 0.000 0.240 313 S C 1.740 176.342 174.600 0.003 0.000 0.981 313 S CA 0.740 58.938 58.200 -0.003 0.000 0.948 313 S CB -0.199 62.987 63.200 -0.023 0.000 0.759 313 S HN 0.419 nan 8.310 nan 0.000 0.531 314 R N 0.075 120.583 120.500 0.012 0.000 2.200 314 R HA 0.178 4.518 4.340 0.000 0.000 0.208 314 R C -0.077 176.234 176.300 0.018 0.000 1.033 314 R CA 0.240 56.349 56.100 0.014 0.000 1.000 314 R CB -0.124 30.186 30.300 0.017 0.000 0.906 314 R HN 0.259 nan 8.270 nan 0.000 0.462 315 L N 1.550 122.787 121.223 0.023 0.000 2.452 315 L HA 0.198 4.538 4.340 0.000 0.000 0.267 315 L C -2.078 174.802 176.870 0.016 0.000 1.188 315 L CA -1.931 52.925 54.840 0.026 0.000 0.821 315 L CB -0.033 42.047 42.059 0.036 0.000 1.102 315 L HN -0.205 nan 8.230 nan 0.000 0.470 316 P HA 0.023 nan 4.420 nan 0.000 0.269 316 P C 0.778 178.075 177.300 -0.005 0.000 1.217 316 P CA -0.138 62.965 63.100 0.005 0.000 0.783 316 P CB 0.431 32.149 31.700 0.030 0.000 0.898 317 L N 0.853 122.057 121.223 -0.032 0.000 2.261 317 L HA -0.238 4.102 4.340 0.000 0.000 0.216 317 L C 2.171 179.032 176.870 -0.014 0.000 1.114 317 L CA 1.700 56.522 54.840 -0.029 0.000 0.777 317 L CB -0.933 41.095 42.059 -0.052 0.000 0.910 317 L HN 0.445 nan 8.230 nan 0.000 0.440 318 A N 0.124 122.941 122.820 -0.005 0.000 1.854 318 A HA -0.121 4.199 4.320 0.000 0.000 0.214 318 A C 2.374 179.966 177.584 0.013 0.000 1.192 318 A CA 0.907 52.945 52.037 0.002 0.000 0.611 318 A CB -0.258 18.750 19.000 0.013 0.000 0.832 318 A HN 0.226 nan 8.150 nan 0.000 0.442 319 R N -0.138 120.376 120.500 0.022 0.000 2.092 319 R HA -0.051 4.289 4.340 0.000 0.000 0.231 319 R C 2.062 178.389 176.300 0.044 0.000 1.119 319 R CA 1.275 57.395 56.100 0.033 0.000 0.970 319 R CB -1.535 28.786 30.300 0.035 0.000 0.864 319 R HN 0.410 nan 8.270 nan 0.000 0.440 320 V N 0.928 120.865 119.914 0.038 0.000 2.287 320 V HA -0.252 3.868 4.120 0.000 0.000 0.248 320 V C 2.580 178.704 176.094 0.051 0.000 1.053 320 V CA 2.244 64.572 62.300 0.047 0.000 1.027 320 V CB -0.659 31.179 31.823 0.025 0.000 0.646 320 V HN 0.365 nan 8.190 nan 0.000 0.447 321 S N -0.834 114.884 115.700 0.029 0.000 2.368 321 S HA -0.227 4.244 4.470 0.000 0.000 0.225 321 S C 1.927 176.554 174.600 0.044 0.000 1.030 321 S CA 1.898 60.114 58.200 0.027 0.000 0.999 321 S CB -0.241 62.960 63.200 0.003 0.000 0.844 321 S HN 0.736 nan 8.310 nan 0.000 0.459 322 E N 0.669 120.894 120.200 0.041 0.000 2.051 322 E HA -0.130 4.220 4.350 0.000 0.000 0.192 322 E C 2.173 178.818 176.600 0.076 0.000 0.991 322 E CA 1.361 57.787 56.400 0.044 0.000 0.799 322 E CB -0.351 29.368 29.700 0.032 0.000 0.748 322 E HN 0.445 nan 8.360 nan 0.000 0.449 323 L N 0.395 121.679 121.223 0.102 0.000 2.043 323 L HA -0.236 4.104 4.340 0.000 0.000 0.212 323 L C 2.390 179.429 176.870 0.281 0.000 1.075 323 L CA 0.758 55.698 54.840 0.167 0.000 0.752 323 L CB -0.152 42.008 42.059 0.168 0.000 0.891 323 L HN 0.170 nan 8.230 nan 0.000 0.432 324 L N -0.958 120.407 121.223 0.235 0.000 2.270 324 L HA -0.061 4.279 4.340 0.000 0.000 0.210 324 L C 2.509 179.547 176.870 0.280 0.000 1.104 324 L CA 1.305 56.316 54.840 0.286 0.000 0.804 324 L CB -0.494 41.642 42.059 0.129 0.000 0.937 324 L HN 0.064 nan 8.230 nan 0.000 0.450 325 R N -0.344 120.252 120.500 0.159 0.000 2.092 325 R HA -0.083 4.258 4.340 0.000 0.000 0.231 325 R C -0.605 175.720 176.300 0.042 0.000 1.119 325 R CA 1.106 57.257 56.100 0.085 0.000 0.970 325 R CB -0.900 29.424 30.300 0.041 0.000 0.864 325 R HN 0.274 nan 8.270 nan 0.000 0.440 326 P HA -0.138 nan 4.420 nan 0.000 0.221 326 P C 0.079 177.221 177.300 -0.264 0.000 1.145 326 P CA 1.303 64.285 63.100 -0.197 0.000 0.795 326 P CB 0.027 31.517 31.700 -0.351 0.000 0.775 327 Y N -1.529 118.783 120.300 0.020 0.000 2.509 327 Y HA 0.287 4.837 4.550 0.000 0.000 0.270 327 Y C 2.429 178.348 175.900 0.031 0.000 1.103 327 Y CA 0.446 58.576 58.100 0.050 0.000 1.278 327 Y CB -0.876 37.672 38.460 0.148 0.000 1.087 327 Y HN -0.119 nan 8.280 nan 0.000 0.542 328 A N 0.033 122.946 122.820 0.155 0.000 2.021 328 A HA -0.015 4.305 4.320 0.000 0.000 0.216 328 A C 1.649 179.248 177.584 0.026 0.000 1.163 328 A CA 1.135 53.221 52.037 0.081 0.000 0.676 328 A CB -0.069 18.968 19.000 0.062 0.000 0.818 328 A HN 0.255 nan 8.150 nan 0.000 0.453 329 E N -0.396 119.796 120.200 -0.014 0.000 2.498 329 E HA 0.121 4.471 4.350 0.000 0.000 0.203 329 E C -0.680 175.853 176.600 -0.111 0.000 1.013 329 E CA 0.222 56.593 56.400 -0.048 0.000 0.927 329 E CB 0.081 29.753 29.700 -0.047 0.000 1.012 329 E HN 0.696 nan 8.360 nan 0.000 0.482 330 E N 0.624 120.723 120.200 -0.168 0.000 2.497 330 E HA -0.206 4.144 4.350 0.000 0.000 0.273 330 E C 0.419 176.619 176.600 -0.666 0.000 1.045 330 E CA 0.553 56.702 56.400 -0.418 0.000 0.797 330 E CB -1.422 28.122 29.700 -0.260 0.000 1.352 330 E HN 0.345 nan 8.360 nan 0.000 0.399 331 R N 0.049 120.282 120.500 -0.445 0.000 2.590 331 R HA 0.138 4.478 4.340 0.000 0.000 0.410 331 R C 0.270 176.407 176.300 -0.271 0.000 1.010 331 R CA -0.425 55.482 56.100 -0.321 0.000 1.155 331 R CB 0.268 30.452 30.300 -0.195 0.000 1.455 331 R HN 0.234 nan 8.270 nan 0.000 0.567 332 E N 2.113 122.119 120.200 -0.324 0.000 2.408 332 E HA 0.183 4.533 4.350 0.000 0.000 0.259 332 E C -2.083 174.406 176.600 -0.185 0.000 1.110 332 E CA -2.042 54.131 56.400 -0.379 0.000 0.929 332 E CB 0.250 29.585 29.700 -0.608 0.000 0.971 332 E HN -0.082 nan 8.360 nan 0.000 0.438 333 P HA 0.077 nan 4.420 nan 0.000 0.261 333 P C 0.214 177.492 177.300 -0.036 0.000 1.203 333 P CA 1.238 64.284 63.100 -0.091 0.000 0.767 333 P CB 0.208 31.854 31.700 -0.090 0.000 0.785 334 G N 2.611 111.409 108.800 -0.003 0.000 2.171 334 G HA2 -0.292 3.668 3.960 0.000 0.000 0.238 334 G HA3 -0.292 3.668 3.960 0.000 0.000 0.238 334 G C 0.947 175.873 174.900 0.044 0.000 1.039 334 G CA 0.041 45.150 45.100 0.015 0.000 0.759 334 G HN 0.715 nan 8.290 nan 0.000 0.501 335 H N -0.181 118.866 119.070 -0.039 0.000 2.457 335 H HA 0.288 4.844 4.556 0.000 0.000 0.294 335 H C 1.834 177.157 175.328 -0.009 0.000 1.064 335 H CA 1.502 57.535 56.048 -0.024 0.000 1.330 335 H CB 0.228 29.968 29.762 -0.038 0.000 1.395 335 H HN 0.781 nan 8.280 nan 0.000 0.541 336 A N 0.658 123.479 122.820 0.002 0.000 2.340 336 A HA 0.203 4.523 4.320 0.000 0.000 0.268 336 A C 0.640 178.196 177.584 -0.048 0.000 1.100 336 A CA 0.278 52.292 52.037 -0.039 0.000 0.803 336 A CB 0.260 19.260 19.000 0.001 0.000 1.043 336 A HN 0.625 nan 8.150 nan 0.000 0.488 337 E N -0.987 119.181 120.200 -0.053 0.000 4.028 337 E HA -0.228 4.122 4.350 0.000 0.000 0.343 337 E C 1.113 177.684 176.600 -0.048 0.000 0.700 337 E CA 1.725 58.101 56.400 -0.040 0.000 1.288 337 E CB -0.803 28.884 29.700 -0.022 0.000 1.677 337 E HN 0.768 nan 8.360 nan 0.000 0.424 338 R N -0.598 119.853 120.500 -0.082 0.000 2.307 338 R HA 0.193 4.533 4.340 0.000 0.000 0.200 338 R C 1.764 177.994 176.300 -0.117 0.000 0.893 338 R CA 0.594 56.643 56.100 -0.084 0.000 1.042 338 R CB 0.674 30.924 30.300 -0.082 0.000 1.059 338 R HN -0.009 nan 8.270 nan 0.000 0.530 339 V N 1.732 121.548 119.914 -0.163 0.000 2.788 339 V HA -0.167 3.953 4.120 0.000 0.000 0.251 339 V C 1.639 177.687 176.094 -0.076 0.000 1.068 339 V CA 1.654 63.862 62.300 -0.153 0.000 1.090 339 V CB 0.120 31.828 31.823 -0.190 0.000 0.710 339 V HN 0.299 nan 8.190 nan 0.000 0.467 340 K N -0.546 119.818 120.400 -0.059 0.000 2.190 340 K HA 0.075 4.395 4.320 0.000 0.000 0.202 340 K C 1.580 178.164 176.600 -0.027 0.000 1.045 340 K CA 1.038 57.304 56.287 -0.035 0.000 0.976 340 K CB -0.485 31.998 32.500 -0.028 0.000 0.849 340 K HN 0.162 nan 8.250 nan 0.000 0.468 341 N N 0.547 119.230 118.700 -0.027 0.000 2.383 341 N HA 0.055 4.795 4.740 0.000 0.000 0.192 341 N C -0.656 174.844 175.510 -0.016 0.000 1.141 341 N CA 0.137 53.176 53.050 -0.018 0.000 0.851 341 N CB 0.344 38.822 38.487 -0.015 0.000 0.976 341 N HN 0.005 nan 8.380 nan 0.000 0.465 342 R N -0.172 120.315 120.500 -0.021 0.000 3.207 342 R HA 0.192 4.532 4.340 0.000 0.000 0.238 342 R C -2.378 173.911 176.300 -0.018 0.000 1.724 342 R CA -0.754 55.337 56.100 -0.015 0.000 1.079 342 R CB 0.684 30.980 30.300 -0.008 0.000 1.503 342 R HN -0.076 nan 8.270 nan 0.000 0.471 343 P HA -0.054 nan 4.420 nan 0.000 0.217 343 P C 0.832 178.131 177.300 -0.003 0.000 1.154 343 P CA 0.434 63.527 63.100 -0.012 0.000 0.841 343 P CB 0.419 32.113 31.700 -0.009 0.000 0.790 344 E N 0.816 121.016 120.200 -0.000 0.000 2.038 344 E HA -0.236 4.114 4.350 0.000 0.000 0.195 344 E C 2.028 178.636 176.600 0.013 0.000 1.000 344 E CA 1.627 58.030 56.400 0.005 0.000 0.803 344 E CB -0.200 29.501 29.700 0.002 0.000 0.750 344 E HN 0.427 nan 8.360 nan 0.000 0.448 345 Q N -0.592 119.217 119.800 0.016 0.000 2.311 345 Q HA 0.096 4.436 4.340 0.000 0.000 0.203 345 Q C 1.967 177.992 176.000 0.043 0.000 0.954 345 Q CA 1.102 56.922 55.803 0.028 0.000 0.885 345 Q CB -0.160 28.598 28.738 0.034 0.000 0.963 345 Q HN 0.152 nan 8.270 nan 0.000 0.471 346 A N 2.354 125.195 122.820 0.035 0.000 1.933 346 A HA -0.114 4.206 4.320 0.000 0.000 0.218 346 A C 2.155 179.791 177.584 0.087 0.000 1.175 346 A CA 1.491 53.562 52.037 0.057 0.000 0.628 346 A CB -0.754 18.242 19.000 -0.007 0.000 0.814 346 A HN 0.651 nan 8.150 nan 0.000 0.444 347 I N -3.682 116.922 120.570 0.057 0.000 3.226 347 I HA 0.204 4.374 4.170 0.000 0.000 0.277 347 I C 2.276 178.418 176.117 0.042 0.000 1.243 347 I CA 0.866 62.199 61.300 0.055 0.000 1.459 347 I CB -0.440 37.583 38.000 0.038 0.000 1.093 347 I HN 0.155 nan 8.210 nan 0.000 0.453 348 A N 3.034 125.876 122.820 0.035 0.000 1.873 348 A HA -0.083 4.237 4.320 0.000 0.000 0.215 348 A C 2.389 179.984 177.584 0.018 0.000 1.186 348 A CA 1.798 53.848 52.037 0.022 0.000 0.616 348 A CB -0.732 18.278 19.000 0.018 0.000 0.823 348 A HN 0.644 nan 8.150 nan 0.000 0.442 349 L N -2.150 119.096 121.223 0.037 0.000 2.240 349 L HA -0.059 4.281 4.340 0.000 0.000 0.211 349 L C 2.304 179.208 176.870 0.056 0.000 1.106 349 L CA 1.880 56.738 54.840 0.030 0.000 0.793 349 L CB -0.485 41.615 42.059 0.069 0.000 0.927 349 L HN 0.374 nan 8.230 nan 0.000 0.446 350 Q N 2.094 121.945 119.800 0.086 0.000 2.002 350 Q HA -0.281 4.059 4.340 0.000 0.000 0.204 350 Q C 2.403 178.429 176.000 0.043 0.000 0.988 350 Q CA 2.854 58.709 55.803 0.086 0.000 0.843 350 Q CB -0.228 28.564 28.738 0.090 0.000 0.908 350 Q HN 0.818 nan 8.270 nan 0.000 0.420 351 R N -0.657 119.859 120.500 0.026 0.000 2.096 351 R HA -0.079 4.261 4.340 0.000 0.000 0.235 351 R C 2.503 178.795 176.300 -0.013 0.000 1.127 351 R CA 1.814 57.918 56.100 0.006 0.000 0.968 351 R CB -0.608 29.695 30.300 0.004 0.000 0.861 351 R HN 0.202 nan 8.270 nan 0.000 0.440 352 M N 1.113 120.699 119.600 -0.024 0.000 2.067 352 M HA -0.058 4.422 4.480 0.000 0.000 0.260 352 M C 2.629 178.889 176.300 -0.068 0.000 1.069 352 M CA 2.049 57.315 55.300 -0.057 0.000 1.117 352 M CB -0.341 32.207 32.600 -0.087 0.000 1.334 352 M HN 0.449 nan 8.290 nan 0.000 0.407 353 A N 0.143 122.936 122.820 -0.046 0.000 2.015 353 A HA -0.005 4.316 4.320 0.000 0.000 0.219 353 A C 2.307 179.888 177.584 -0.005 0.000 1.163 353 A CA 1.701 53.724 52.037 -0.023 0.000 0.646 353 A CB -0.844 18.193 19.000 0.062 0.000 0.806 353 A HN 0.508 nan 8.150 nan 0.000 0.448 354 A N 1.454 124.273 122.820 -0.001 0.000 1.845 354 A HA -0.206 4.114 4.320 0.000 0.000 0.215 354 A C 1.733 179.299 177.584 -0.030 0.000 1.195 354 A CA 2.068 54.102 52.037 -0.005 0.000 0.616 354 A CB -0.937 18.063 19.000 -0.000 0.000 0.832 354 A HN 0.682 nan 8.150 nan 0.000 0.443 355 D N -0.144 120.228 120.400 -0.048 0.000 2.117 355 D HA -0.110 4.530 4.640 0.000 0.000 0.198 355 D C 1.750 177.977 176.300 -0.122 0.000 0.982 355 D CA 1.001 54.954 54.000 -0.079 0.000 0.828 355 D CB -0.518 40.236 40.800 -0.076 0.000 0.967 355 D HN 0.388 nan 8.370 nan 0.000 0.464 356 L N 0.364 121.521 121.223 -0.110 0.000 1.997 356 L HA -0.222 4.118 4.340 0.000 0.000 0.216 356 L C 2.569 179.377 176.870 -0.103 0.000 1.074 356 L CA 1.128 55.896 54.840 -0.121 0.000 0.763 356 L CB -0.353 41.646 42.059 -0.101 0.000 0.890 356 L HN 0.074 nan 8.230 nan 0.000 0.434 357 V N -0.559 119.319 119.914 -0.060 0.000 2.407 357 V HA -0.291 3.829 4.120 0.000 0.000 0.248 357 V C 2.449 178.521 176.094 -0.037 0.000 1.055 357 V CA 1.679 63.961 62.300 -0.031 0.000 1.049 357 V CB -0.418 31.407 31.823 0.002 0.000 0.662 357 V HN 0.408 nan 8.190 nan 0.000 0.455 358 K N -0.552 119.814 120.400 -0.056 0.000 2.148 358 K HA -0.133 4.187 4.320 0.000 0.000 0.204 358 K C 2.387 178.923 176.600 -0.106 0.000 1.050 358 K CA 1.185 57.441 56.287 -0.053 0.000 0.942 358 K CB -0.129 32.340 32.500 -0.053 0.000 0.724 358 K HN 0.353 nan 8.250 nan 0.000 0.446 359 R N 0.555 120.914 120.500 -0.234 0.000 2.073 359 R HA 0.007 4.347 4.340 0.000 0.000 0.229 359 R C 2.244 178.427 176.300 -0.195 0.000 1.120 359 R CA 0.868 56.684 56.100 -0.473 0.000 0.967 359 R CB -0.161 29.704 30.300 -0.725 0.000 0.862 359 R HN 0.076 nan 8.270 nan 0.000 0.436 360 L N 0.370 121.527 121.223 -0.109 0.000 2.201 360 L HA -0.184 4.156 4.340 0.000 0.000 0.212 360 L C 1.892 178.766 176.870 0.006 0.000 1.105 360 L CA 1.281 56.101 54.840 -0.034 0.000 0.775 360 L CB -0.373 41.665 42.059 -0.035 0.000 0.913 360 L HN 0.247 nan 8.230 nan 0.000 0.440 361 D N -0.160 120.255 120.400 0.025 0.000 2.103 361 D HA -0.205 4.435 4.640 0.000 0.000 0.190 361 D C 2.098 178.513 176.300 0.191 0.000 0.997 361 D CA 1.768 55.831 54.000 0.106 0.000 0.833 361 D CB 0.096 40.975 40.800 0.132 0.000 0.961 361 D HN 0.026 nan 8.370 nan 0.000 0.447 362 V N 0.658 120.675 119.914 0.171 0.000 2.380 362 V HA -0.226 3.894 4.120 0.000 0.000 0.251 362 V C 2.470 178.658 176.094 0.157 0.000 1.063 362 V CA 1.026 63.441 62.300 0.192 0.000 1.055 362 V CB -0.538 31.433 31.823 0.246 0.000 0.657 362 V HN 0.388 nan 8.190 nan 0.000 0.455 363 L N -0.923 120.377 121.223 0.128 0.000 2.072 363 L HA -0.065 4.275 4.340 0.000 0.000 0.205 363 L C 2.428 179.318 176.870 0.033 0.000 1.079 363 L CA 1.709 56.593 54.840 0.074 0.000 0.752 363 L CB -1.080 41.011 42.059 0.054 0.000 0.906 363 L HN 0.307 nan 8.230 nan 0.000 0.436 364 L N -0.724 120.500 121.223 0.001 0.000 2.017 364 L HA -0.225 4.115 4.340 0.000 0.000 0.208 364 L C 2.469 179.287 176.870 -0.087 0.000 1.073 364 L CA 1.750 56.544 54.840 -0.076 0.000 0.745 364 L CB -1.213 40.744 42.059 -0.170 0.000 0.894 364 L HN 0.360 nan 8.230 nan 0.000 0.432 365 H N -1.450 117.641 119.070 0.036 0.000 2.545 365 H HA -0.081 4.475 4.556 0.000 0.000 0.282 365 H C 1.700 177.049 175.328 0.034 0.000 1.020 365 H CA 0.184 56.253 56.048 0.035 0.000 1.243 365 H CB 0.366 30.146 29.762 0.031 0.000 1.377 365 H HN 0.057 nan 8.280 nan 0.000 0.581 366 L N -0.701 120.596 121.223 0.123 0.000 2.509 366 L HA 0.189 4.529 4.340 0.000 0.000 0.222 366 L C 1.429 178.344 176.870 0.074 0.000 1.123 366 L CA 1.371 56.260 54.840 0.081 0.000 0.856 366 L CB -0.412 41.679 42.059 0.054 0.000 0.985 366 L HN 0.504 nan 8.230 nan 0.000 0.456 367 G N -0.645 108.203 108.800 0.080 0.000 2.148 367 G HA2 -0.225 3.735 3.960 0.000 0.000 0.203 367 G HA3 -0.225 3.735 3.960 0.000 0.000 0.203 367 G C 0.633 175.656 174.900 0.204 0.000 0.993 367 G CA 0.242 45.412 45.100 0.117 0.000 0.661 367 G HN 0.321 nan 8.290 nan 0.000 0.518 368 L N 0.957 122.233 121.223 0.088 0.000 2.818 368 L HA 0.393 4.733 4.340 0.000 0.000 0.243 368 L C 2.354 179.112 176.870 -0.186 0.000 1.185 368 L CA 0.537 55.331 54.840 -0.076 0.000 0.988 368 L CB 0.401 42.397 42.059 -0.105 0.000 1.292 368 L HN 0.210 nan 8.230 nan 0.000 0.519 369 G N 0.247 109.046 108.800 -0.001 0.000 2.509 369 G HA2 -0.292 3.668 3.960 0.000 0.000 0.218 369 G HA3 -0.292 3.668 3.960 0.000 0.000 0.218 369 G C 1.285 176.181 174.900 -0.007 0.000 1.124 369 G CA 0.720 45.814 45.100 -0.010 0.000 0.776 369 G HN 0.596 nan 8.290 nan 0.000 0.547 370 Y N -0.295 120.004 120.300 -0.002 0.000 2.519 370 Y HA 0.448 4.998 4.550 0.000 0.000 0.287 370 Y C 0.956 176.861 175.900 0.007 0.000 1.128 370 Y CA -1.065 57.036 58.100 0.003 0.000 1.282 370 Y CB -0.399 38.064 38.460 0.004 0.000 1.027 370 Y HN -0.078 nan 8.280 nan 0.000 0.551 371 L N 2.130 123.032 121.223 -0.535 0.000 2.410 371 L HA 0.342 4.682 4.340 0.000 0.000 0.273 371 L C 1.092 177.879 176.870 -0.139 0.000 1.152 371 L CA -0.105 54.522 54.840 -0.355 0.000 0.855 371 L CB 0.596 42.399 42.059 -0.426 0.000 1.129 371 L HN 0.398 nan 8.230 nan 0.000 0.463 372 G N 2.682 111.442 108.800 -0.066 0.000 2.539 372 G HA2 0.365 4.325 3.960 0.000 0.000 0.258 372 G HA3 0.365 4.325 3.960 0.000 0.000 0.258 372 G C 0.714 175.590 174.900 -0.040 0.000 1.202 372 G CA -0.652 44.429 45.100 -0.031 0.000 0.851 372 G HN 0.814 nan 8.290 nan 0.000 0.556 373 L N -0.971 120.236 121.223 -0.027 0.000 2.585 373 L HA 0.293 4.633 4.340 0.000 0.000 0.226 373 L C 1.303 178.161 176.870 -0.019 0.000 1.113 373 L CA 0.451 55.275 54.840 -0.026 0.000 0.876 373 L CB 0.086 42.131 42.059 -0.023 0.000 1.072 373 L HN 0.450 nan 8.230 nan 0.000 0.468 374 D N 0.311 120.703 120.400 -0.013 0.000 2.355 374 D HA -0.119 4.521 4.640 0.000 0.000 0.218 374 D C 1.149 177.446 176.300 -0.006 0.000 1.004 374 D CA -0.033 53.962 54.000 -0.008 0.000 0.880 374 D CB -0.207 40.590 40.800 -0.004 0.000 0.911 374 D HN 0.247 nan 8.370 nan 0.000 0.528 375 R N 0.836 121.329 120.500 -0.010 0.000 2.585 375 R HA 0.121 4.461 4.340 0.000 0.000 0.275 375 R C -0.357 175.937 176.300 -0.009 0.000 1.018 375 R CA 0.011 56.106 56.100 -0.008 0.000 1.072 375 R CB 0.244 30.533 30.300 -0.019 0.000 0.953 375 R HN -0.116 nan 8.270 nan 0.000 0.419 376 S N 2.476 118.175 115.700 -0.001 0.000 2.489 376 S HA 0.095 4.565 4.470 0.000 0.000 0.277 376 S C 0.875 175.473 174.600 -0.004 0.000 1.230 376 S CA -0.445 57.754 58.200 -0.002 0.000 1.053 376 S CB 1.093 64.295 63.200 0.004 0.000 0.955 376 S HN 0.795 nan 8.310 nan 0.000 0.488 377 T N 6.711 121.260 114.554 -0.008 0.000 2.699 377 T HA -0.088 4.262 4.350 0.000 0.000 0.268 377 T C -1.031 173.665 174.700 -0.007 0.000 1.036 377 T CA 1.697 63.791 62.100 -0.010 0.000 1.147 377 T CB -0.945 67.915 68.868 -0.013 0.000 0.862 377 T HN 0.556 nan 8.240 nan 0.000 0.446 378 P HA -0.089 nan 4.420 nan 0.000 0.216 378 P C 1.576 178.878 177.300 0.003 0.000 1.153 378 P CA 1.409 64.507 63.100 -0.003 0.000 0.858 378 P CB -0.389 31.309 31.700 -0.003 0.000 0.789 379 T N -4.189 110.370 114.554 0.007 0.000 3.284 379 T HA 0.095 4.445 4.350 0.000 0.000 0.252 379 T C 0.459 175.172 174.700 0.022 0.000 1.144 379 T CA 0.148 62.257 62.100 0.016 0.000 1.021 379 T CB -0.599 68.281 68.868 0.019 0.000 0.984 379 T HN -0.189 nan 8.240 nan 0.000 0.545 380 L N 2.497 123.729 121.223 0.015 0.000 2.334 380 L HA 0.593 4.933 4.340 0.000 0.000 0.273 380 L C 0.374 177.255 176.870 0.017 0.000 1.013 380 L CA -0.776 54.076 54.840 0.019 0.000 0.816 380 L CB 1.974 44.035 42.059 0.004 0.000 1.278 380 L HN 0.365 nan 8.230 nan 0.000 0.431 381 S N 3.193 118.909 115.700 0.027 0.000 2.580 381 S HA 0.363 4.833 4.470 0.000 0.000 0.274 381 S C -1.892 172.708 174.600 0.001 0.000 1.329 381 S CA -0.746 57.465 58.200 0.018 0.000 1.036 381 S CB 0.851 64.068 63.200 0.028 0.000 0.919 381 S HN 0.564 nan 8.310 nan 0.000 0.515 382 P HA -0.052 nan 4.420 nan 0.000 0.216 382 P C 1.705 178.992 177.300 -0.022 0.000 1.154 382 P CA 1.810 64.899 63.100 -0.018 0.000 0.865 382 P CB -0.443 31.244 31.700 -0.022 0.000 0.789 383 G N -0.172 108.612 108.800 -0.027 0.000 2.459 383 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 383 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 383 G C 1.508 176.395 174.900 -0.022 0.000 1.183 383 G CA 0.829 45.908 45.100 -0.036 0.000 0.776 383 G HN 0.258 nan 8.290 nan 0.000 0.552 384 E N -0.146 120.051 120.200 -0.005 0.000 2.114 384 E HA -0.192 4.158 4.350 0.000 0.000 0.199 384 E C 2.406 178.997 176.600 -0.014 0.000 1.008 384 E CA 1.475 57.882 56.400 0.011 0.000 0.810 384 E CB -0.172 29.553 29.700 0.040 0.000 0.739 384 E HN 0.496 nan 8.360 nan 0.000 0.456 385 L N -0.503 120.709 121.223 -0.018 0.000 2.307 385 L HA 0.033 4.373 4.340 0.000 0.000 0.211 385 L C 2.063 178.913 176.870 -0.032 0.000 1.099 385 L CA 1.452 56.276 54.840 -0.026 0.000 0.816 385 L CB -0.647 41.399 42.059 -0.023 0.000 0.952 385 L HN -0.026 nan 8.230 nan 0.000 0.455 386 Q N 0.108 119.890 119.800 -0.031 0.000 2.119 386 Q HA -0.129 4.211 4.340 0.000 0.000 0.201 386 Q C 2.319 178.291 176.000 -0.047 0.000 0.972 386 Q CA 1.636 57.418 55.803 -0.035 0.000 0.847 386 Q CB 0.009 28.731 28.738 -0.027 0.000 0.903 386 Q HN 0.548 nan 8.270 nan 0.000 0.433 387 R N -0.305 120.172 120.500 -0.039 0.000 2.115 387 R HA -0.041 4.299 4.340 0.000 0.000 0.230 387 R C 2.241 178.511 176.300 -0.049 0.000 1.111 387 R CA 0.922 56.997 56.100 -0.041 0.000 0.976 387 R CB -0.085 30.203 30.300 -0.020 0.000 0.870 387 R HN 0.306 nan 8.270 nan 0.000 0.445 388 L N -0.255 120.940 121.223 -0.047 0.000 2.109 388 L HA -0.105 4.235 4.340 0.000 0.000 0.207 388 L C 2.577 179.406 176.870 -0.069 0.000 1.086 388 L CA 1.026 55.837 54.840 -0.049 0.000 0.760 388 L CB -0.169 41.864 42.059 -0.044 0.000 0.910 388 L HN 0.041 nan 8.230 nan 0.000 0.437 389 R N 0.220 120.677 120.500 -0.073 0.000 2.066 389 R HA -0.153 4.187 4.340 0.000 0.000 0.232 389 R C 2.252 178.462 176.300 -0.149 0.000 1.131 389 R CA 1.304 57.348 56.100 -0.092 0.000 0.955 389 R CB -0.427 29.834 30.300 -0.065 0.000 0.851 389 R HN 0.233 nan 8.270 nan 0.000 0.432 390 L N -0.240 120.895 121.223 -0.146 0.000 1.989 390 L HA -0.189 4.151 4.340 0.000 0.000 0.211 390 L C 2.208 178.945 176.870 -0.221 0.000 1.071 390 L CA 1.824 56.545 54.840 -0.198 0.000 0.749 390 L CB -0.563 41.409 42.059 -0.144 0.000 0.890 390 L HN 0.395 nan 8.230 nan 0.000 0.431 391 A N -0.936 121.789 122.820 -0.158 0.000 1.908 391 A HA -0.247 4.073 4.320 0.000 0.000 0.218 391 A C 2.194 179.530 177.584 -0.414 0.000 1.181 391 A CA 2.462 54.411 52.037 -0.147 0.000 0.627 391 A CB -1.098 17.892 19.000 -0.018 0.000 0.818 391 A HN 0.531 nan 8.150 nan 0.000 0.445 392 T N -0.067 114.213 114.554 -0.456 0.000 2.788 392 T HA -0.139 4.211 4.350 0.000 0.000 0.268 392 T C 1.960 176.178 174.700 -0.803 0.000 1.044 392 T CA 1.527 63.158 62.100 -0.781 0.000 1.139 392 T CB -0.227 68.462 68.868 -0.298 0.000 0.867 392 T HN 0.459 nan 8.240 nan 0.000 0.454 393 Q N 0.573 120.099 119.800 -0.456 0.000 2.291 393 Q HA 0.163 4.503 4.340 0.000 0.000 0.205 393 Q C 2.123 177.946 176.000 -0.296 0.000 0.970 393 Q CA 0.603 56.214 55.803 -0.320 0.000 0.876 393 Q CB -0.449 28.069 28.738 -0.367 0.000 0.935 393 Q HN 0.500 nan 8.270 nan 0.000 0.455 394 L N 0.391 121.406 121.223 -0.346 0.000 2.622 394 L HA -0.096 4.244 4.340 0.000 0.000 0.233 394 L C 0.320 177.181 176.870 -0.015 0.000 1.156 394 L CA 0.497 55.242 54.840 -0.158 0.000 0.866 394 L CB -0.069 41.938 42.059 -0.086 0.000 0.980 394 L HN 0.287 nan 8.230 nan 0.000 0.448 395 Y N -4.133 116.165 120.300 -0.003 0.000 2.811 395 Y HA 0.291 4.841 4.550 0.000 0.000 0.245 395 Y C 1.019 176.930 175.900 0.019 0.000 1.041 395 Y CA -0.457 57.649 58.100 0.010 0.000 1.110 395 Y CB -0.946 37.518 38.460 0.006 0.000 1.212 395 Y HN 0.049 nan 8.280 nan 0.000 0.635 396 S N -1.140 114.586 115.700 0.042 0.000 2.526 396 S HA 0.154 4.625 4.470 0.000 0.000 0.220 396 S C 0.524 175.172 174.600 0.080 0.000 1.017 396 S CA 0.232 58.468 58.200 0.060 0.000 0.930 396 S CB -0.247 62.954 63.200 0.000 0.000 0.856 396 S HN 0.484 nan 8.310 nan 0.000 0.497 397 N N 0.927 119.681 118.700 0.090 0.000 2.818 397 N HA -0.102 4.638 4.740 0.000 0.000 0.250 397 N C -0.823 174.757 175.510 0.117 0.000 1.108 397 N CA 0.499 53.610 53.050 0.102 0.000 0.745 397 N CB -1.761 36.777 38.487 0.084 0.000 1.104 397 N HN 0.523 nan 8.380 nan 0.000 0.557 398 L N 0.688 121.983 121.223 0.120 0.000 2.410 398 L HA 0.285 4.625 4.340 0.000 0.000 0.273 398 L C 0.322 177.269 176.870 0.129 0.000 1.144 398 L CA 0.025 54.925 54.840 0.100 0.000 0.863 398 L CB 0.257 42.355 42.059 0.066 0.000 1.140 398 L HN 0.080 nan 8.230 nan 0.000 0.463 399 F N 2.472 122.401 119.950 -0.034 0.000 2.507 399 F HA 0.585 5.112 4.527 0.000 0.000 0.325 399 F C 0.799 176.552 175.800 -0.078 0.000 1.116 399 F CA -0.070 57.907 58.000 -0.038 0.000 0.930 399 F CB 1.758 40.745 39.000 -0.021 0.000 1.146 399 F HN 0.593 nan 8.300 nan 0.000 0.447 400 G N 4.057 112.406 108.800 -0.752 0.000 2.198 400 G HA2 -0.110 3.850 3.960 0.000 0.000 0.257 400 G HA3 -0.110 3.850 3.960 0.000 0.000 0.257 400 G C -0.657 174.041 174.900 -0.337 0.000 1.042 400 G CA 0.169 44.952 45.100 -0.528 0.000 0.791 400 G HN 1.426 nan 8.290 nan 0.000 0.502 401 V N -3.012 116.670 119.914 -0.388 0.000 2.994 401 V HA 0.897 5.017 4.120 0.000 0.000 0.318 401 V C 0.553 176.355 176.094 -0.487 0.000 1.085 401 V CA -1.178 60.856 62.300 -0.443 0.000 0.998 401 V CB 2.258 33.742 31.823 -0.564 0.000 1.063 401 V HN 0.643 nan 8.190 nan 0.000 0.447 402 V N 2.661 122.281 119.914 -0.490 0.000 2.383 402 V HA 0.377 4.497 4.120 0.000 0.000 0.275 402 V C -0.624 175.177 176.094 -0.489 0.000 1.036 402 V CA -0.309 61.666 62.300 -0.543 0.000 0.889 402 V CB 0.269 31.686 31.823 -0.676 0.000 0.985 402 V HN 0.810 nan 8.190 nan 0.000 0.459 403 Y N 3.103 123.231 120.300 -0.286 0.000 2.336 403 Y HA 0.452 5.002 4.550 0.000 0.000 0.335 403 Y C 0.312 176.089 175.900 -0.205 0.000 1.046 403 Y CA -0.420 57.563 58.100 -0.194 0.000 1.198 403 Y CB 1.581 39.958 38.460 -0.140 0.000 1.182 403 Y HN 0.396 nan 8.280 nan 0.000 0.502 404 V N 6.605 126.490 119.914 -0.048 0.000 2.313 404 V HA 0.309 4.429 4.120 0.000 0.000 0.278 404 V C -0.460 175.565 176.094 -0.115 0.000 1.017 404 V CA -0.656 61.526 62.300 -0.197 0.000 0.823 404 V CB 0.517 32.077 31.823 -0.438 0.000 1.010 404 V HN 0.521 nan 8.190 nan 0.000 0.443 405 L N 3.677 124.899 121.223 -0.001 0.000 2.334 405 L HA 0.627 4.967 4.340 0.000 0.000 0.272 405 L C -0.201 176.795 176.870 0.210 0.000 1.020 405 L CA -0.215 54.686 54.840 0.102 0.000 0.812 405 L CB 1.708 43.803 42.059 0.060 0.000 1.264 405 L HN 0.532 nan 8.230 nan 0.000 0.439 406 D N 1.765 122.287 120.400 0.203 0.000 2.438 406 D HA 0.225 4.865 4.640 0.000 0.000 0.257 406 D C -0.789 175.545 176.300 0.057 0.000 1.148 406 D CA -0.134 53.962 54.000 0.160 0.000 0.902 406 D CB 0.343 41.167 40.800 0.040 0.000 1.062 406 D HN 0.466 nan 8.370 nan 0.000 0.518 407 E N 2.644 122.872 120.200 0.046 0.000 2.252 407 E HA -0.141 4.209 4.350 0.000 0.000 0.199 407 E C -1.772 174.835 176.600 0.012 0.000 1.352 407 E CA 0.175 56.589 56.400 0.023 0.000 0.682 407 E CB -0.266 29.457 29.700 0.039 0.000 1.142 407 E HN 0.533 nan 8.360 nan 0.000 0.367 408 P HA -0.085 nan 4.420 nan 0.000 0.237 408 P C 1.246 178.536 177.300 -0.017 0.000 1.178 408 P CA 0.770 63.866 63.100 -0.006 0.000 0.766 408 P CB 0.268 31.965 31.700 -0.005 0.000 0.876 409 S N -0.397 115.295 115.700 -0.014 0.000 2.461 409 S HA 0.122 4.592 4.470 0.000 0.000 0.228 409 S C 1.131 175.702 174.600 -0.048 0.000 1.005 409 S CA 0.099 58.282 58.200 -0.028 0.000 0.942 409 S CB -0.954 62.235 63.200 -0.018 0.000 0.776 409 S HN 0.198 nan 8.310 nan 0.000 0.514 410 A N 0.552 123.351 122.820 -0.036 0.000 2.584 410 A HA 0.426 4.746 4.320 0.000 0.000 0.239 410 A C 1.455 178.963 177.584 -0.127 0.000 1.043 410 A CA 0.536 52.544 52.037 -0.049 0.000 0.756 410 A CB -1.173 17.813 19.000 -0.024 0.000 0.963 410 A HN 1.479 nan 8.150 nan 0.000 0.511 411 G N 1.188 109.869 108.800 -0.198 0.000 2.203 411 G HA2 -0.204 3.756 3.960 0.000 0.000 0.263 411 G HA3 -0.204 3.756 3.960 0.000 0.000 0.263 411 G C 0.024 174.469 174.900 -0.758 0.000 1.012 411 G CA 0.499 45.249 45.100 -0.583 0.000 0.749 411 G HN 0.913 nan 8.290 nan 0.000 0.512 412 L N 1.127 122.152 121.223 -0.331 0.000 2.272 412 L HA 0.342 4.682 4.340 0.000 0.000 0.289 412 L C 0.967 177.823 176.870 -0.023 0.000 1.032 412 L CA -1.021 53.727 54.840 -0.153 0.000 0.810 412 L CB 0.911 42.923 42.059 -0.077 0.000 1.205 412 L HN 0.318 nan 8.230 nan 0.000 0.422 413 H N 6.424 125.498 119.070 0.007 0.000 2.897 413 H HA 0.047 4.603 4.556 0.000 0.000 0.347 413 H C -1.799 173.446 175.328 -0.139 0.000 1.068 413 H CA -0.897 55.153 56.048 0.003 0.000 1.426 413 H CB 1.641 31.415 29.762 0.019 0.000 1.410 413 H HN 0.405 nan 8.280 nan 0.000 0.597 414 P HA -0.124 nan 4.420 nan 0.000 0.222 414 P C 0.783 177.722 177.300 -0.602 0.000 1.142 414 P CA 1.686 64.465 63.100 -0.536 0.000 0.788 414 P CB 0.073 31.313 31.700 -0.768 0.000 0.767 415 A N -0.679 121.966 122.820 -0.292 0.000 2.072 415 A HA -0.072 4.248 4.320 0.000 0.000 0.216 415 A C 1.477 179.053 177.584 -0.012 0.000 1.156 415 A CA 1.160 53.094 52.037 -0.172 0.000 0.701 415 A CB -0.510 18.526 19.000 0.059 0.000 0.816 415 A HN 0.074 nan 8.150 nan 0.000 0.458 416 D N -1.173 119.229 120.400 0.003 0.000 2.402 416 D HA 0.067 4.707 4.640 0.000 0.000 0.216 416 D C 1.074 177.378 176.300 0.007 0.000 1.128 416 D CA 0.370 54.383 54.000 0.022 0.000 0.833 416 D CB 0.153 40.975 40.800 0.037 0.000 0.971 416 D HN 0.218 nan 8.370 nan 0.000 0.503 417 T N 0.856 115.396 114.554 -0.024 0.000 2.821 417 T HA -0.109 4.241 4.350 0.000 0.000 0.267 417 T C 1.758 176.464 174.700 0.009 0.000 1.046 417 T CA 0.885 62.974 62.100 -0.020 0.000 1.139 417 T CB 0.236 69.076 68.868 -0.046 0.000 0.871 417 T HN 0.092 nan 8.240 nan 0.000 0.454 418 E N 1.265 121.481 120.200 0.027 0.000 2.110 418 E HA -0.071 4.279 4.350 0.000 0.000 0.193 418 E C 2.523 179.144 176.600 0.035 0.000 0.988 418 E CA 1.124 57.547 56.400 0.039 0.000 0.804 418 E CB -0.443 29.291 29.700 0.057 0.000 0.745 418 E HN 0.502 nan 8.360 nan 0.000 0.458 419 A N 1.181 124.025 122.820 0.040 0.000 1.902 419 A HA -0.170 4.151 4.320 0.000 0.000 0.217 419 A C 2.259 179.862 177.584 0.031 0.000 1.181 419 A CA 1.399 53.463 52.037 0.046 0.000 0.623 419 A CB -0.559 18.479 19.000 0.063 0.000 0.818 419 A HN 0.260 nan 8.150 nan 0.000 0.443 420 L N -0.328 120.907 121.223 0.021 0.000 2.005 420 L HA -0.055 4.285 4.340 0.000 0.000 0.207 420 L C 2.251 179.125 176.870 0.006 0.000 1.072 420 L CA 1.703 56.547 54.840 0.008 0.000 0.744 420 L CB -0.526 41.534 42.059 0.001 0.000 0.895 420 L HN 0.364 nan 8.230 nan 0.000 0.433 421 L N -0.603 120.627 121.223 0.012 0.000 2.081 421 L HA -0.235 4.105 4.340 0.000 0.000 0.212 421 L C 2.448 179.326 176.870 0.014 0.000 1.080 421 L CA 1.488 56.338 54.840 0.017 0.000 0.754 421 L CB -0.657 41.416 42.059 0.024 0.000 0.893 421 L HN 0.316 nan 8.230 nan 0.000 0.433 422 S N -0.384 115.323 115.700 0.013 0.000 2.387 422 S HA -0.074 4.397 4.470 0.000 0.000 0.226 422 S C 2.187 176.785 174.600 -0.002 0.000 1.026 422 S CA 0.958 59.162 58.200 0.007 0.000 0.972 422 S CB -0.193 63.010 63.200 0.006 0.000 0.814 422 S HN 0.499 nan 8.310 nan 0.000 0.477 423 A N 1.675 124.493 122.820 -0.004 0.000 1.898 423 A HA 0.059 4.379 4.320 0.000 0.000 0.216 423 A C 2.090 179.650 177.584 -0.040 0.000 1.181 423 A CA 0.986 53.011 52.037 -0.020 0.000 0.620 423 A CB -0.705 18.283 19.000 -0.020 0.000 0.819 423 A HN 0.433 nan 8.150 nan 0.000 0.442 424 L N -0.842 120.364 121.223 -0.029 0.000 2.083 424 L HA -0.200 4.140 4.340 0.000 0.000 0.209 424 L C 2.647 179.508 176.870 -0.014 0.000 1.083 424 L CA 1.770 56.593 54.840 -0.029 0.000 0.752 424 L CB -0.448 41.609 42.059 -0.003 0.000 0.899 424 L HN 0.538 nan 8.230 nan 0.000 0.433 425 E N 0.664 120.863 120.200 -0.002 0.000 2.077 425 E HA -0.217 4.133 4.350 0.000 0.000 0.193 425 E C 1.913 178.512 176.600 -0.003 0.000 0.989 425 E CA 1.507 57.910 56.400 0.005 0.000 0.800 425 E CB 0.015 29.721 29.700 0.009 0.000 0.746 425 E HN 0.343 nan 8.360 nan 0.000 0.452 426 N N 0.244 118.937 118.700 -0.011 0.000 2.142 426 N HA -0.115 4.625 4.740 0.000 0.000 0.186 426 N C 1.869 177.370 175.510 -0.015 0.000 1.023 426 N CA 0.884 53.928 53.050 -0.009 0.000 0.852 426 N CB -0.361 38.120 38.487 -0.010 0.000 0.998 426 N HN 0.226 nan 8.380 nan 0.000 0.424 427 L N 1.246 122.443 121.223 -0.043 0.000 2.042 427 L HA -0.199 4.141 4.340 0.000 0.000 0.210 427 L C 2.463 179.329 176.870 -0.007 0.000 1.076 427 L CA 1.403 56.207 54.840 -0.060 0.000 0.749 427 L CB -0.282 41.684 42.059 -0.155 0.000 0.893 427 L HN 0.231 nan 8.230 nan 0.000 0.432 428 K N 0.093 120.489 120.400 -0.007 0.000 2.009 428 K HA -0.196 4.124 4.320 0.000 0.000 0.210 428 K C 1.970 178.561 176.600 -0.015 0.000 1.049 428 K CA 1.440 57.724 56.287 -0.006 0.000 0.929 428 K CB -0.015 32.488 32.500 0.006 0.000 0.714 428 K HN 0.239 nan 8.250 nan 0.000 0.440 429 R N -0.537 119.962 120.500 -0.002 0.000 2.323 429 R HA -0.010 4.330 4.340 0.000 0.000 0.198 429 R C 1.629 177.947 176.300 0.031 0.000 0.988 429 R CA 0.447 56.552 56.100 0.009 0.000 1.041 429 R CB 0.135 30.441 30.300 0.011 0.000 0.926 429 R HN 0.256 nan 8.270 nan 0.000 0.476 430 G N -0.212 108.607 108.800 0.032 0.000 2.985 430 G HA2 0.144 4.104 3.960 0.000 0.000 0.209 430 G HA3 0.144 4.104 3.960 0.000 0.000 0.209 430 G C 0.738 175.680 174.900 0.069 0.000 1.165 430 G CA 0.388 45.534 45.100 0.077 0.000 0.776 430 G HN 0.393 nan 8.290 nan 0.000 0.541 431 G N -0.361 108.397 108.800 -0.070 0.000 2.215 431 G HA2 -0.204 3.756 3.960 0.000 0.000 0.198 431 G HA3 -0.204 3.756 3.960 0.000 0.000 0.198 431 G C -0.307 174.260 174.900 -0.556 0.000 1.047 431 G CA -0.315 44.559 45.100 -0.377 0.000 0.747 431 G HN 0.419 nan 8.290 nan 0.000 0.495 432 N N -0.458 118.081 118.700 -0.267 0.000 2.312 432 N HA 0.720 5.460 4.740 0.000 0.000 0.296 432 N C -0.398 175.018 175.510 -0.157 0.000 1.193 432 N CA -0.253 52.667 53.050 -0.217 0.000 0.773 432 N CB 2.024 40.490 38.487 -0.035 0.000 1.435 432 N HN 0.173 nan 8.380 nan 0.000 0.484 433 S N 0.411 115.990 115.700 -0.201 0.000 2.638 433 S HA 0.690 5.160 4.470 0.000 0.000 0.298 433 S C -0.313 174.178 174.600 -0.181 0.000 1.111 433 S CA -0.746 57.336 58.200 -0.198 0.000 1.027 433 S CB 1.201 64.206 63.200 -0.325 0.000 1.064 433 S HN 0.299 nan 8.310 nan 0.000 0.525 434 L N 2.205 123.375 121.223 -0.088 0.000 2.406 434 L HA 0.551 4.891 4.340 0.000 0.000 0.272 434 L C -1.634 175.398 176.870 0.271 0.000 0.980 434 L CA -0.562 54.294 54.840 0.026 0.000 0.831 434 L CB 1.046 43.160 42.059 0.093 0.000 1.253 434 L HN 0.489 nan 8.230 nan 0.000 0.406 435 F N 3.013 123.013 119.950 0.084 0.000 2.402 435 F HA 0.541 5.068 4.527 0.000 0.000 0.355 435 F C 0.040 175.884 175.800 0.073 0.000 1.123 435 F CA -1.288 56.804 58.000 0.152 0.000 1.021 435 F CB 1.889 40.909 39.000 0.033 0.000 1.160 435 F HN -0.011 nan 8.300 nan 0.000 0.451 436 V N 4.367 124.512 119.914 0.385 0.000 2.409 436 V HA 0.374 4.494 4.120 0.000 0.000 0.291 436 V C -0.378 175.867 176.094 0.251 0.000 1.020 436 V CA -1.062 61.374 62.300 0.227 0.000 0.848 436 V CB 2.041 33.965 31.823 0.168 0.000 0.990 436 V HN 0.485 nan 8.190 nan 0.000 0.430 437 V N 4.632 124.641 119.914 0.158 0.000 2.432 437 V HA 0.695 4.815 4.120 0.000 0.000 0.271 437 V C -0.337 175.756 176.094 -0.002 0.000 1.046 437 V CA 0.402 62.773 62.300 0.118 0.000 0.945 437 V CB 1.291 33.186 31.823 0.120 0.000 0.992 437 V HN 1.051 nan 8.190 nan 0.000 0.471 438 E N 3.632 123.781 120.200 -0.084 0.000 2.356 438 E HA 0.470 4.820 4.350 0.000 0.000 0.275 438 E C -0.548 175.889 176.600 -0.271 0.000 0.904 438 E CA -0.379 55.937 56.400 -0.141 0.000 0.757 438 E CB 1.906 31.592 29.700 -0.023 0.000 1.232 438 E HN 0.781 nan 8.360 nan 0.000 0.442 439 H N 0.698 119.746 119.070 -0.036 0.000 2.750 439 H HA 0.211 4.767 4.556 0.000 0.000 0.263 439 H C -0.339 174.890 175.328 -0.165 0.000 0.964 439 H CA -0.152 55.820 56.048 -0.127 0.000 1.205 439 H CB 0.745 30.434 29.762 -0.121 0.000 1.454 439 H HN 0.328 nan 8.280 nan 0.000 0.503 440 D N 1.597 121.994 120.400 -0.005 0.000 2.346 440 D HA -0.031 4.609 4.640 0.000 0.000 0.260 440 D C 1.131 177.396 176.300 -0.060 0.000 1.252 440 D CA 0.037 54.013 54.000 -0.040 0.000 0.895 440 D CB 0.842 41.626 40.800 -0.027 0.000 1.097 440 D HN 0.353 nan 8.370 nan 0.000 0.489 441 L N 3.028 124.200 121.223 -0.085 0.000 2.191 441 L HA -0.146 4.194 4.340 0.000 0.000 0.212 441 L C 1.715 178.544 176.870 -0.068 0.000 1.103 441 L CA 0.766 55.551 54.840 -0.092 0.000 0.769 441 L CB -0.149 41.849 42.059 -0.102 0.000 0.908 441 L HN 0.362 nan 8.230 nan 0.000 0.438 442 D N -0.566 119.806 120.400 -0.047 0.000 2.347 442 D HA -0.064 4.577 4.640 0.000 0.000 0.215 442 D C 2.104 178.396 176.300 -0.013 0.000 0.976 442 D CA 0.851 54.835 54.000 -0.026 0.000 0.884 442 D CB 0.534 41.325 40.800 -0.016 0.000 0.915 442 D HN 0.214 nan 8.370 nan 0.000 0.526 443 V N 1.163 121.068 119.914 -0.015 0.000 2.672 443 V HA -0.093 4.027 4.120 0.000 0.000 0.242 443 V C 2.392 178.492 176.094 0.010 0.000 1.059 443 V CA 0.257 62.558 62.300 0.003 0.000 1.081 443 V CB 0.201 32.027 31.823 0.004 0.000 0.752 443 V HN 0.084 nan 8.190 nan 0.000 0.472 444 I N 0.610 121.176 120.570 -0.007 0.000 2.151 444 I HA -0.284 3.886 4.170 0.000 0.000 0.243 444 I C 2.552 178.672 176.117 0.005 0.000 1.080 444 I CA 1.843 63.141 61.300 -0.003 0.000 1.339 444 I CB -1.419 36.560 38.000 -0.035 0.000 1.039 444 I HN 0.313 nan 8.210 nan 0.000 0.409 445 R N 0.227 120.715 120.500 -0.021 0.000 2.159 445 R HA -0.115 4.225 4.340 0.000 0.000 0.237 445 R C 2.055 178.377 176.300 0.037 0.000 1.131 445 R CA 0.897 56.990 56.100 -0.011 0.000 0.982 445 R CB -0.054 30.223 30.300 -0.037 0.000 0.868 445 R HN 0.347 nan 8.270 nan 0.000 0.453 446 R N -0.298 120.228 120.500 0.042 0.000 2.334 446 R HA 0.231 4.571 4.340 0.000 0.000 0.216 446 R C 0.202 176.553 176.300 0.085 0.000 0.905 446 R CA 0.085 56.220 56.100 0.059 0.000 1.064 446 R CB 0.479 30.806 30.300 0.046 0.000 1.046 446 R HN 0.043 nan 8.270 nan 0.000 0.508 447 A N 1.424 124.299 122.820 0.092 0.000 2.445 447 A HA 0.032 4.352 4.320 0.000 0.000 0.242 447 A C 0.626 178.316 177.584 0.177 0.000 1.075 447 A CA -0.152 51.961 52.037 0.127 0.000 0.777 447 A CB 0.390 19.458 19.000 0.114 0.000 1.013 447 A HN 0.057 nan 8.150 nan 0.000 0.493 448 D N 0.178 120.720 120.400 0.237 0.000 2.144 448 D HA -0.043 4.597 4.640 0.000 0.000 0.200 448 D C 0.162 176.711 176.300 0.414 0.000 0.978 448 D CA 1.316 55.539 54.000 0.373 0.000 0.833 448 D CB 0.191 41.264 40.800 0.454 0.000 0.961 448 D HN 0.658 nan 8.370 nan 0.000 0.470 449 W N 0.487 121.813 121.300 0.043 0.000 3.107 449 W HA 0.414 5.074 4.660 0.000 0.000 0.331 449 W C -1.843 174.627 176.519 -0.081 0.000 1.204 449 W CA -0.882 56.411 57.345 -0.086 0.000 1.184 449 W CB 1.641 30.973 29.460 -0.213 0.000 1.421 449 W HN -0.244 nan 8.180 nan 0.000 0.544 450 L N 3.740 124.832 121.223 -0.219 0.000 2.408 450 L HA 0.727 5.067 4.340 0.000 0.000 0.268 450 L C -1.851 174.879 176.870 -0.233 0.000 0.986 450 L CA -0.739 54.021 54.840 -0.133 0.000 0.820 450 L CB 1.585 43.640 42.059 -0.007 0.000 1.303 450 L HN 0.029 nan 8.230 nan 0.000 0.411 451 V N 3.071 122.815 119.914 -0.283 0.000 2.313 451 V HA 0.426 4.546 4.120 0.000 0.000 0.278 451 V C -0.638 175.399 176.094 -0.095 0.000 1.017 451 V CA -0.256 61.884 62.300 -0.267 0.000 0.823 451 V CB 0.870 32.381 31.823 -0.520 0.000 1.010 451 V HN 0.847 nan 8.190 nan 0.000 0.443 452 D N 3.878 124.294 120.400 0.027 0.000 2.232 452 D HA 0.514 5.154 4.640 0.000 0.000 0.242 452 D C -0.596 175.751 176.300 0.078 0.000 1.093 452 D CA 0.022 54.073 54.000 0.085 0.000 0.845 452 D CB 1.871 42.748 40.800 0.127 0.000 1.124 452 D HN 0.292 nan 8.370 nan 0.000 0.467 453 V N 3.164 123.131 119.914 0.088 0.000 2.459 453 V HA 0.727 4.847 4.120 0.000 0.000 0.295 453 V C 0.766 176.892 176.094 0.053 0.000 1.029 453 V CA -0.474 61.874 62.300 0.079 0.000 0.874 453 V CB 1.075 32.962 31.823 0.108 0.000 0.985 453 V HN 0.875 nan 8.190 nan 0.000 0.438 454 G N 6.821 115.645 108.800 0.040 0.000 3.626 454 G HA2 -0.139 3.821 3.960 0.000 0.000 0.556 454 G HA3 -0.139 3.821 3.960 0.000 0.000 0.556 454 G C -1.457 173.446 174.900 0.005 0.000 1.206 454 G CA -0.017 45.095 45.100 0.020 0.000 1.267 454 G HN 0.624 nan 8.290 nan 0.000 0.577 455 P HA -0.028 nan 4.420 nan 0.000 0.217 455 P C 0.777 178.058 177.300 -0.032 0.000 1.151 455 P CA 1.530 64.626 63.100 -0.007 0.000 0.828 455 P CB 0.390 32.090 31.700 -0.001 0.000 0.788 456 E N -1.418 118.759 120.200 -0.038 0.000 2.580 456 E HA 0.642 4.992 4.350 0.000 0.000 0.178 456 E C -0.720 175.824 176.600 -0.094 0.000 0.738 456 E CA -1.064 55.299 56.400 -0.062 0.000 0.967 456 E CB 0.707 30.383 29.700 -0.040 0.000 1.942 456 E HN -0.163 nan 8.360 nan 0.000 0.376 457 A N -0.054 122.693 122.820 -0.123 0.000 2.320 457 A HA 0.726 5.046 4.320 0.000 0.000 0.334 457 A C 0.423 177.913 177.584 -0.158 0.000 1.147 457 A CA 0.304 52.189 52.037 -0.253 0.000 0.820 457 A CB 0.623 19.360 19.000 -0.438 0.000 1.218 457 A HN 0.713 nan 8.150 nan 0.000 0.482 458 G N 1.243 109.928 108.800 -0.191 0.000 2.531 458 G HA2 -0.318 3.642 3.960 0.000 0.000 0.274 458 G HA3 -0.318 3.642 3.960 0.000 0.000 0.274 458 G C 0.794 175.705 174.900 0.017 0.000 1.159 458 G CA 1.129 46.223 45.100 -0.010 0.000 0.969 458 G HN 1.687 nan 8.290 nan 0.000 0.554 459 E N 0.595 120.823 120.200 0.046 0.000 2.427 459 E HA 0.140 4.490 4.350 0.000 0.000 0.196 459 E C 1.884 178.501 176.600 0.027 0.000 1.028 459 E CA 1.294 57.718 56.400 0.041 0.000 0.864 459 E CB -0.047 29.683 29.700 0.050 0.000 0.813 459 E HN 0.504 nan 8.360 nan 0.000 0.514 460 K N 0.611 121.022 120.400 0.018 0.000 2.417 460 K HA 0.172 4.492 4.320 0.000 0.000 0.196 460 K C 0.480 177.077 176.600 -0.005 0.000 1.023 460 K CA 0.198 56.490 56.287 0.009 0.000 1.122 460 K CB 0.944 33.450 32.500 0.010 0.000 0.850 460 K HN 0.238 nan 8.250 nan 0.000 0.521 461 G N -1.173 107.620 108.800 -0.012 0.000 3.212 461 G HA2 0.446 4.406 3.960 0.000 0.000 0.188 461 G HA3 0.446 4.406 3.960 0.000 0.000 0.188 461 G C 0.279 175.182 174.900 0.005 0.000 1.254 461 G CA -0.049 45.041 45.100 -0.017 0.000 0.957 461 G HN 0.084 nan 8.290 nan 0.000 0.596 462 G N -1.189 107.619 108.800 0.013 0.000 2.137 462 G HA2 -0.147 3.813 3.960 0.000 0.000 0.237 462 G HA3 -0.147 3.813 3.960 0.000 0.000 0.237 462 G C -0.012 174.909 174.900 0.036 0.000 1.002 462 G CA 0.831 45.951 45.100 0.033 0.000 0.702 462 G HN 0.710 nan 8.290 nan 0.000 0.515 463 E N -0.752 119.467 120.200 0.033 0.000 2.336 463 E HA 0.653 5.003 4.350 0.000 0.000 0.267 463 E C 0.001 176.623 176.600 0.037 0.000 0.906 463 E CA -1.149 55.270 56.400 0.031 0.000 0.781 463 E CB 1.578 31.293 29.700 0.024 0.000 1.261 463 E HN 0.091 nan 8.360 nan 0.000 0.436 464 I N 3.483 124.072 120.570 0.032 0.000 2.304 464 I HA 0.095 4.265 4.170 0.000 0.000 0.291 464 I C 0.912 177.052 176.117 0.038 0.000 1.018 464 I CA 0.114 61.433 61.300 0.032 0.000 1.260 464 I CB 0.511 38.520 38.000 0.015 0.000 1.390 464 I HN 0.614 nan 8.210 nan 0.000 0.475 465 L N 6.076 127.336 121.223 0.060 0.000 2.202 465 L HA 0.047 4.387 4.340 0.000 0.000 0.205 465 L C 0.004 176.961 176.870 0.145 0.000 1.083 465 L CA 0.934 55.823 54.840 0.082 0.000 0.790 465 L CB -0.057 42.049 42.059 0.078 0.000 0.942 465 L HN 0.511 nan 8.230 nan 0.000 0.452 466 Y N -0.859 119.416 120.300 -0.042 0.000 2.519 466 Y HA 0.423 4.973 4.550 0.000 0.000 0.336 466 Y C -0.992 174.839 175.900 -0.115 0.000 1.089 466 Y CA -1.164 56.887 58.100 -0.081 0.000 1.025 466 Y CB 1.944 40.353 38.460 -0.084 0.000 1.318 466 Y HN -0.262 nan 8.280 nan 0.000 0.452 467 S N 3.554 118.801 115.700 -0.756 0.000 2.733 467 S HA 0.888 5.358 4.470 0.000 0.000 0.294 467 S C -0.625 173.172 174.600 -1.337 0.000 1.149 467 S CA 0.398 58.179 58.200 -0.699 0.000 1.034 467 S CB 0.680 63.788 63.200 -0.153 0.000 1.015 467 S HN 1.594 nan 8.310 nan 0.000 0.486 468 G N 4.238 111.838 108.800 -1.999 0.000 2.341 468 G HA2 0.329 4.289 3.960 0.000 0.000 0.293 468 G HA3 0.329 4.289 3.960 0.000 0.000 0.293 468 G C -3.639 170.347 174.900 -1.524 0.000 1.298 468 G CA -0.762 42.913 45.100 -2.374 0.000 0.868 468 G HN 0.489 nan 8.290 nan 0.000 0.540 469 P HA 0.225 nan 4.420 nan 0.000 0.265 469 P C -1.871 175.450 177.300 0.035 0.000 1.193 469 P CA -0.775 62.204 63.100 -0.201 0.000 0.765 469 P CB 0.607 32.307 31.700 0.000 0.000 0.823 470 P HA -0.206 nan 4.420 nan 0.000 0.217 470 P C 1.208 178.615 177.300 0.179 0.000 1.148 470 P CA 1.551 64.737 63.100 0.143 0.000 0.828 470 P CB -0.088 31.695 31.700 0.139 0.000 0.783 471 E N -0.918 119.361 120.200 0.132 0.000 2.106 471 E HA -0.077 4.273 4.350 0.000 0.000 0.192 471 E C 2.264 178.741 176.600 -0.204 0.000 0.984 471 E CA 1.195 57.603 56.400 0.013 0.000 0.806 471 E CB -0.859 28.866 29.700 0.041 0.000 0.750 471 E HN 0.273 nan 8.360 nan 0.000 0.458 472 G N 1.480 110.254 108.800 -0.043 0.000 2.501 472 G HA2 -0.233 3.727 3.960 0.000 0.000 0.220 472 G HA3 -0.233 3.727 3.960 0.000 0.000 0.220 472 G C 1.493 176.154 174.900 -0.397 0.000 1.114 472 G CA 0.226 45.344 45.100 0.030 0.000 0.757 472 G HN 0.142 nan 8.290 nan 0.000 0.559 473 L N 0.112 120.873 121.223 -0.769 0.000 2.456 473 L HA 0.163 4.503 4.340 0.000 0.000 0.224 473 L C 2.516 179.071 176.870 -0.526 0.000 1.148 473 L CA 1.154 55.526 54.840 -0.779 0.000 0.825 473 L CB -0.218 41.591 42.059 -0.416 0.000 0.937 473 L HN 0.139 nan 8.230 nan 0.000 0.450 474 K N -1.022 118.878 120.400 -0.833 0.000 2.152 474 K HA -0.179 4.142 4.320 0.000 0.000 0.206 474 K C 0.945 177.180 176.600 -0.607 0.000 1.048 474 K CA 1.683 57.446 56.287 -0.873 0.000 0.933 474 K CB -0.291 31.543 32.500 -1.109 0.000 0.721 474 K HN 0.555 nan 8.250 nan 0.000 0.447 475 H N -1.066 117.824 119.070 -0.301 0.000 2.567 475 H HA 0.168 4.724 4.556 0.000 0.000 0.294 475 H C -0.518 174.725 175.328 -0.142 0.000 1.050 475 H CA -0.165 55.773 56.048 -0.184 0.000 1.168 475 H CB 0.407 30.086 29.762 -0.139 0.000 1.422 475 H HN -0.111 nan 8.280 nan 0.000 0.562 476 V N 2.081 121.943 119.914 -0.087 0.000 2.443 476 V HA 0.220 4.340 4.120 0.000 0.000 0.272 476 V C -2.010 174.056 176.094 -0.046 0.000 1.002 476 V CA -1.922 60.350 62.300 -0.047 0.000 0.840 476 V CB 2.017 33.821 31.823 -0.033 0.000 1.042 476 V HN 0.052 nan 8.190 nan 0.000 0.446 477 P HA -0.088 nan 4.420 nan 0.000 0.219 477 P C 0.953 178.249 177.300 -0.007 0.000 1.150 477 P CA 1.181 64.267 63.100 -0.023 0.000 0.814 477 P CB 0.470 32.157 31.700 -0.022 0.000 0.787 478 E N 0.263 120.463 120.200 -0.000 0.000 2.401 478 E HA -0.048 4.302 4.350 0.000 0.000 0.199 478 E C 1.034 177.642 176.600 0.014 0.000 1.023 478 E CA 0.368 56.772 56.400 0.006 0.000 0.859 478 E CB -0.659 29.047 29.700 0.009 0.000 0.780 478 E HN 0.158 nan 8.360 nan 0.000 0.523 479 S N 0.373 116.085 115.700 0.020 0.000 2.505 479 S HA 0.041 4.511 4.470 0.000 0.000 0.276 479 S C 0.739 175.377 174.600 0.064 0.000 1.274 479 S CA -0.423 57.802 58.200 0.041 0.000 1.053 479 S CB 0.890 64.113 63.200 0.039 0.000 0.919 479 S HN 0.146 nan 8.310 nan 0.000 0.490 480 Q N 2.780 122.619 119.800 0.065 0.000 2.389 480 Q HA -0.011 4.329 4.340 0.000 0.000 0.204 480 Q C 1.516 177.711 176.000 0.325 0.000 0.944 480 Q CA 1.008 56.877 55.803 0.110 0.000 0.908 480 Q CB 0.057 28.768 28.738 -0.045 0.000 1.002 480 Q HN 0.773 nan 8.270 nan 0.000 0.493 481 T N -0.184 114.558 114.554 0.313 0.000 2.809 481 T HA -0.056 4.294 4.350 0.000 0.000 0.260 481 T C 1.829 176.653 174.700 0.206 0.000 1.039 481 T CA 1.083 63.390 62.100 0.344 0.000 1.141 481 T CB -0.519 68.509 68.868 0.267 0.000 0.869 481 T HN 0.485 nan 8.240 nan 0.000 0.437 482 G N 1.482 110.380 108.800 0.164 0.000 2.529 482 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 482 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 482 G C 1.492 176.489 174.900 0.162 0.000 1.177 482 G CA 1.045 46.259 45.100 0.190 0.000 0.773 482 G HN 0.491 nan 8.290 nan 0.000 0.573 483 Q N -0.949 118.911 119.800 0.100 0.000 2.152 483 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 483 Q C 2.299 178.255 176.000 -0.074 0.000 0.985 483 Q CA 1.547 57.353 55.803 0.004 0.000 0.863 483 Q CB -0.273 28.443 28.738 -0.037 0.000 0.904 483 Q HN 0.697 nan 8.270 nan 0.000 0.422 484 Y N 0.268 120.581 120.300 0.021 0.000 2.220 484 Y HA -0.100 4.450 4.550 0.000 0.000 0.291 484 Y C 1.953 177.784 175.900 -0.115 0.000 1.129 484 Y CA 1.120 59.205 58.100 -0.024 0.000 1.161 484 Y CB 0.221 38.688 38.460 0.010 0.000 0.997 484 Y HN 0.148 nan 8.280 nan 0.000 0.522 485 L N -4.926 116.251 121.223 -0.075 0.000 2.554 485 L HA 0.256 4.596 4.340 0.000 0.000 0.225 485 L C 0.751 177.309 176.870 -0.522 0.000 1.104 485 L CA 0.548 55.181 54.840 -0.346 0.000 0.866 485 L CB -0.157 41.599 42.059 -0.505 0.000 1.047 485 L HN -0.038 nan 8.230 nan 0.000 0.468 486 F N 0.738 120.659 119.950 -0.048 0.000 2.699 486 F HA 0.465 4.992 4.527 0.000 0.000 0.295 486 F C 2.150 177.891 175.800 -0.097 0.000 1.052 486 F CA 0.190 58.142 58.000 -0.080 0.000 1.239 486 F CB 0.102 39.040 39.000 -0.104 0.000 1.018 486 F HN 0.005 nan 8.300 nan 0.000 0.627 487 A N -0.192 122.661 122.820 0.055 0.000 2.500 487 A HA 0.319 4.639 4.320 0.000 0.000 0.267 487 A C 0.087 177.604 177.584 -0.111 0.000 1.290 487 A CA 0.553 52.573 52.037 -0.027 0.000 0.928 487 A CB -0.815 18.164 19.000 -0.034 0.000 1.066 487 A HN 0.344 nan 8.150 nan 0.000 0.516 488 D N 0.088 120.400 120.400 -0.148 0.000 2.746 488 D HA -0.167 4.473 4.640 0.000 0.000 0.241 488 D C -0.254 175.857 176.300 -0.315 0.000 1.140 488 D CA 0.393 54.248 54.000 -0.243 0.000 0.707 488 D CB -1.123 39.533 40.800 -0.241 0.000 1.034 488 D HN 0.342 nan 8.370 nan 0.000 0.423 489 R N 1.935 122.191 120.500 -0.406 0.000 2.540 489 R HA 0.083 4.423 4.340 0.000 0.000 0.317 489 R C 0.358 176.513 176.300 -0.243 0.000 1.233 489 R CA 0.165 55.961 56.100 -0.507 0.000 1.003 489 R CB -0.444 29.072 30.300 -1.306 0.000 1.034 489 R HN 0.588 nan 8.270 nan 0.000 0.483 490 H N -0.738 118.255 119.070 -0.128 0.000 2.544 490 H HA 0.090 4.646 4.556 0.000 0.000 0.365 490 H C 1.223 176.541 175.328 -0.017 0.000 1.268 490 H CA 0.233 56.254 56.048 -0.045 0.000 1.400 490 H CB 1.610 31.355 29.762 -0.029 0.000 1.538 490 H HN 0.484 nan 8.280 nan 0.000 0.597 491 T N -1.126 113.518 114.554 0.150 0.000 3.606 491 T HA -0.083 4.267 4.350 0.000 0.000 0.215 491 T C -0.345 174.359 174.700 0.008 0.000 0.899 491 T CA 0.290 62.433 62.100 0.071 0.000 1.057 491 T CB -0.510 68.417 68.868 0.098 0.000 1.109 491 T HN 0.913 nan 8.240 nan 0.000 0.341 492 E N 2.188 122.388 120.200 0.001 0.000 2.216 492 E HA -0.178 4.172 4.350 0.000 0.000 0.219 492 E C -1.659 174.935 176.600 -0.009 0.000 1.317 492 E CA 0.874 57.257 56.400 -0.028 0.000 0.716 492 E CB -1.714 27.910 29.700 -0.127 0.000 1.135 492 E HN 0.560 nan 8.360 nan 0.000 0.359 493 P HA -0.039 nan 4.420 nan 0.000 0.218 493 P C 0.347 177.669 177.300 0.037 0.000 1.147 493 P CA 0.686 63.803 63.100 0.028 0.000 0.863 493 P CB 0.068 31.798 31.700 0.050 0.000 0.812 494 H N 0.885 119.957 119.070 0.002 0.000 2.764 494 H HA 0.140 4.696 4.556 0.000 0.000 0.341 494 H C -0.154 175.180 175.328 0.009 0.000 1.072 494 H CA 0.347 56.399 56.048 0.007 0.000 1.444 494 H CB 0.503 30.271 29.762 0.011 0.000 1.458 494 H HN -0.050 nan 8.280 nan 0.000 0.572 495 T N 7.332 121.735 114.554 -0.252 0.000 2.937 495 T HA 0.042 4.392 4.350 0.000 0.000 0.316 495 T C -1.897 172.853 174.700 0.084 0.000 1.079 495 T CA -0.909 61.138 62.100 -0.088 0.000 1.131 495 T CB 0.323 69.091 68.868 -0.166 0.000 1.000 495 T HN 0.542 nan 8.240 nan 0.000 0.549 496 P HA 0.212 nan 4.420 nan 0.000 0.269 496 P C -0.376 176.980 177.300 0.092 0.000 1.209 496 P CA -0.188 62.967 63.100 0.092 0.000 0.776 496 P CB 0.765 32.508 31.700 0.072 0.000 0.876 497 R N 1.247 121.806 120.500 0.097 0.000 2.740 497 R HA 0.368 4.708 4.340 0.000 0.000 0.282 497 R C -0.220 176.112 176.300 0.053 0.000 0.969 497 R CA -0.786 55.357 56.100 0.072 0.000 0.918 497 R CB 1.935 32.274 30.300 0.065 0.000 1.175 497 R HN 0.501 nan 8.270 nan 0.000 0.464 498 E N 2.534 122.753 120.200 0.033 0.000 2.197 498 E HA 0.242 4.592 4.350 0.000 0.000 0.281 498 E C -2.233 174.344 176.600 -0.039 0.000 0.995 498 E CA -1.861 54.552 56.400 0.020 0.000 0.808 498 E CB 1.063 30.785 29.700 0.036 0.000 1.093 498 E HN 0.206 nan 8.360 nan 0.000 0.394 499 P HA -0.068 nan 4.420 nan 0.000 0.262 499 P C -0.210 176.998 177.300 -0.153 0.000 1.182 499 P CA 0.208 63.144 63.100 -0.273 0.000 0.761 499 P CB 0.864 32.242 31.700 -0.537 0.000 0.795 500 A N 2.900 125.623 122.820 -0.162 0.000 2.016 500 A HA 0.382 4.702 4.320 0.000 0.000 0.217 500 A C 1.076 178.623 177.584 -0.062 0.000 1.162 500 A CA 1.638 53.627 52.037 -0.081 0.000 0.662 500 A CB -0.554 18.406 19.000 -0.067 0.000 0.812 500 A HN 0.673 nan 8.150 nan 0.000 0.450 501 G N -3.547 105.165 108.800 -0.147 0.000 2.441 501 G HA2 0.434 4.394 3.960 0.000 0.000 0.294 501 G HA3 0.434 4.394 3.960 0.000 0.000 0.294 501 G C -2.112 172.658 174.900 -0.217 0.000 1.393 501 G CA -0.762 44.312 45.100 -0.043 0.000 0.796 501 G HN 0.234 nan 8.290 nan 0.000 0.494 502 W N 0.262 121.526 121.300 -0.059 0.000 2.715 502 W HA 0.641 5.301 4.660 0.000 0.000 0.331 502 W C -0.099 176.411 176.519 -0.016 0.000 1.031 502 W CA -0.609 56.700 57.345 -0.059 0.000 1.237 502 W CB 1.977 31.382 29.460 -0.091 0.000 1.378 502 W HN 0.463 nan 8.180 nan 0.000 0.454 503 L N 3.388 124.723 121.223 0.187 0.000 2.371 503 L HA 0.382 4.722 4.340 0.000 0.000 0.272 503 L C -0.001 177.009 176.870 0.234 0.000 1.124 503 L CA 0.033 54.973 54.840 0.166 0.000 0.816 503 L CB 0.731 42.864 42.059 0.124 0.000 1.129 503 L HN 0.412 nan 8.230 nan 0.000 0.448 504 E N 5.494 125.787 120.200 0.155 0.000 2.155 504 E HA 0.302 4.652 4.350 0.000 0.000 0.264 504 E C -1.038 175.640 176.600 0.129 0.000 0.886 504 E CA -0.395 56.090 56.400 0.140 0.000 0.752 504 E CB 1.990 31.738 29.700 0.080 0.000 1.133 504 E HN 0.506 nan 8.360 nan 0.000 0.414 505 L N 4.282 125.614 121.223 0.182 0.000 2.287 505 L HA 0.343 4.683 4.340 0.000 0.000 0.280 505 L C -0.966 175.962 176.870 0.097 0.000 1.055 505 L CA -0.509 54.420 54.840 0.148 0.000 0.863 505 L CB 0.260 42.465 42.059 0.243 0.000 1.245 505 L HN 0.460 nan 8.230 nan 0.000 0.432 506 N N 2.539 121.274 118.700 0.059 0.000 2.430 506 N HA 0.407 5.147 4.740 0.000 0.000 0.292 506 N C 0.663 176.192 175.510 0.031 0.000 1.051 506 N CA 0.272 53.346 53.050 0.040 0.000 0.917 506 N CB 1.926 40.429 38.487 0.028 0.000 1.164 506 N HN 0.691 nan 8.380 nan 0.000 0.484 507 G N 0.213 109.029 108.800 0.026 0.000 2.246 507 G HA2 -0.238 3.722 3.960 0.000 0.000 0.273 507 G HA3 -0.238 3.722 3.960 0.000 0.000 0.273 507 G C -0.153 174.761 174.900 0.023 0.000 1.055 507 G CA -0.025 45.087 45.100 0.020 0.000 0.851 507 G HN 0.433 nan 8.290 nan 0.000 0.500 508 V N 0.434 120.367 119.914 0.031 0.000 2.529 508 V HA 0.531 4.651 4.120 0.000 0.000 0.292 508 V C 0.964 177.073 176.094 0.025 0.000 1.028 508 V CA 1.242 63.562 62.300 0.033 0.000 1.074 508 V CB 1.491 33.343 31.823 0.048 0.000 0.958 508 V HN 0.738 nan 8.190 nan 0.000 0.481 509 T N 7.021 121.588 114.554 0.022 0.000 3.160 509 T HA 0.536 4.886 4.350 0.000 0.000 0.346 509 T C -0.632 174.078 174.700 0.018 0.000 1.027 509 T CA -0.739 61.371 62.100 0.018 0.000 1.287 509 T CB -0.150 68.726 68.868 0.014 0.000 0.997 509 T HN 0.994 nan 8.240 nan 0.000 0.518 510 R N 3.092 123.605 120.500 0.020 0.000 2.690 510 R HA 0.473 4.813 4.340 0.000 0.000 0.269 510 R C -0.268 176.046 176.300 0.024 0.000 1.037 510 R CA -0.743 55.369 56.100 0.021 0.000 0.877 510 R CB 0.305 30.618 30.300 0.021 0.000 1.255 510 R HN 0.385 nan 8.270 nan 0.000 0.467 511 N N 1.270 119.986 118.700 0.027 0.000 1.156 511 N HA -0.322 4.418 4.740 0.000 0.000 0.125 511 N C 0.215 175.743 175.510 0.029 0.000 0.726 511 N CA 2.118 55.188 53.050 0.033 0.000 0.887 511 N CB -1.138 37.372 38.487 0.039 0.000 1.163 511 N HN 0.977 nan 8.380 nan 0.000 0.564 512 N N 2.317 121.035 118.700 0.030 0.000 2.362 512 N HA 0.072 4.812 4.740 0.000 0.000 0.211 512 N C -0.383 175.136 175.510 0.015 0.000 1.170 512 N CA 0.244 53.308 53.050 0.022 0.000 0.828 512 N CB -0.594 37.906 38.487 0.021 0.000 1.034 512 N HN 0.539 nan 8.380 nan 0.000 0.475 513 L N 0.713 121.946 121.223 0.017 0.000 2.322 513 L HA 0.456 4.796 4.340 0.000 0.000 0.281 513 L C -0.790 176.089 176.870 0.015 0.000 1.014 513 L CA -1.020 53.829 54.840 0.015 0.000 0.815 513 L CB 1.563 43.634 42.059 0.020 0.000 1.247 513 L HN 0.016 nan 8.230 nan 0.000 0.421 514 D N 2.056 122.464 120.400 0.012 0.000 2.542 514 D HA 0.121 4.761 4.640 0.000 0.000 0.252 514 D C -0.212 176.094 176.300 0.010 0.000 1.222 514 D CA -0.767 53.239 54.000 0.011 0.000 0.895 514 D CB 1.359 42.165 40.800 0.009 0.000 1.207 514 D HN 0.637 nan 8.370 nan 0.000 0.558 515 N N 0.895 119.602 118.700 0.012 0.000 2.650 515 N HA -0.261 4.479 4.740 0.000 0.000 0.272 515 N C -1.272 174.244 175.510 0.011 0.000 1.058 515 N CA 0.098 53.155 53.050 0.012 0.000 0.765 515 N CB -0.699 37.793 38.487 0.008 0.000 0.902 515 N HN 0.527 nan 8.380 nan 0.000 0.551 516 L N 1.672 122.904 121.223 0.016 0.000 2.289 516 L HA 0.476 4.816 4.340 0.000 0.000 0.285 516 L C -0.462 176.420 176.870 0.021 0.000 1.049 516 L CA -0.374 54.475 54.840 0.015 0.000 0.804 516 L CB 1.076 43.145 42.059 0.017 0.000 1.195 516 L HN 0.195 nan 8.230 nan 0.000 0.428 517 D N 4.500 124.907 120.400 0.013 0.000 2.217 517 D HA 0.526 5.166 4.640 0.000 0.000 0.243 517 D C -0.938 175.363 176.300 0.003 0.000 1.054 517 D CA -0.075 53.934 54.000 0.015 0.000 0.838 517 D CB 2.367 43.171 40.800 0.008 0.000 1.162 517 D HN 0.261 nan 8.370 nan 0.000 0.472 518 V N 2.356 122.274 119.914 0.008 0.000 2.925 518 V HA 0.445 4.565 4.120 0.000 0.000 0.311 518 V C -0.352 175.713 176.094 -0.049 0.000 1.104 518 V CA -0.914 61.347 62.300 -0.066 0.000 0.954 518 V CB 2.667 34.402 31.823 -0.148 0.000 1.022 518 V HN 0.378 nan 8.190 nan 0.000 0.427 519 R N 2.785 123.237 120.500 -0.080 0.000 2.393 519 R HA 0.639 4.979 4.340 0.000 0.000 0.315 519 R C -1.674 174.667 176.300 0.068 0.000 0.952 519 R CA -0.243 55.912 56.100 0.091 0.000 0.842 519 R CB 1.553 31.942 30.300 0.148 0.000 1.163 519 R HN 0.534 nan 8.270 nan 0.000 0.450 520 F N 4.320 124.390 119.950 0.200 0.000 2.427 520 F HA 0.369 4.896 4.527 0.000 0.000 0.346 520 F C -1.718 173.926 175.800 -0.259 0.000 1.120 520 F CA -2.689 55.328 58.000 0.030 0.000 1.033 520 F CB 1.505 40.502 39.000 -0.004 0.000 1.126 520 F HN 0.280 nan 8.300 nan 0.000 0.462 521 P HA 0.203 nan 4.420 nan 0.000 0.276 521 P C -0.753 176.191 177.300 -0.593 0.000 1.235 521 P CA -0.015 62.296 63.100 -1.315 0.000 0.772 521 P CB 1.179 31.791 31.700 -1.814 0.000 0.871 522 L N 1.663 122.578 121.223 -0.513 0.000 2.416 522 L HA 0.563 4.903 4.340 0.000 0.000 0.262 522 L C 1.576 178.307 176.870 -0.232 0.000 1.093 522 L CA -0.301 54.380 54.840 -0.266 0.000 0.801 522 L CB 0.289 42.243 42.059 -0.175 0.000 1.191 522 L HN 0.692 nan 8.230 nan 0.000 0.459 523 G N 0.717 109.439 108.800 -0.130 0.000 2.160 523 G HA2 -0.180 3.780 3.960 0.000 0.000 0.251 523 G HA3 -0.180 3.780 3.960 0.000 0.000 0.251 523 G C -0.435 174.417 174.900 -0.081 0.000 1.008 523 G CA 0.269 45.318 45.100 -0.086 0.000 0.724 523 G HN 0.475 nan 8.290 nan 0.000 0.514 524 V N -0.382 119.479 119.914 -0.088 0.000 3.282 524 V HA 0.748 4.868 4.120 0.000 0.000 0.295 524 V C -0.608 175.465 176.094 -0.035 0.000 1.451 524 V CA -0.383 61.876 62.300 -0.069 0.000 1.062 524 V CB 2.166 33.925 31.823 -0.108 0.000 1.128 524 V HN 0.576 nan 8.190 nan 0.000 0.456 525 M N 2.385 121.981 119.600 -0.005 0.000 2.129 525 M HA 0.549 5.029 4.480 0.000 0.000 0.348 525 M C -0.827 175.524 176.300 0.084 0.000 1.116 525 M CA 0.029 55.344 55.300 0.026 0.000 1.022 525 M CB 1.238 33.841 32.600 0.004 0.000 1.599 525 M HN 0.765 nan 8.290 nan 0.000 0.449 526 T N 3.021 117.646 114.554 0.118 0.000 2.794 526 T HA 0.343 4.693 4.350 0.000 0.000 0.280 526 T C -0.425 174.365 174.700 0.151 0.000 0.987 526 T CA -0.469 61.752 62.100 0.201 0.000 0.993 526 T CB 1.373 70.427 68.868 0.310 0.000 0.939 526 T HN 0.646 nan 8.240 nan 0.000 0.449 527 S N 2.265 118.038 115.700 0.122 0.000 2.438 527 S HA 0.445 4.915 4.470 0.000 0.000 0.293 527 S C -0.019 174.626 174.600 0.075 0.000 1.141 527 S CA -0.658 57.587 58.200 0.074 0.000 1.080 527 S CB 0.541 63.761 63.200 0.033 0.000 0.978 527 S HN 0.497 nan 8.310 nan 0.000 0.479 528 V N 4.333 124.295 119.914 0.080 0.000 2.364 528 V HA 0.516 4.636 4.120 0.000 0.000 0.272 528 V C 0.618 176.703 176.094 -0.015 0.000 1.036 528 V CA -0.213 62.125 62.300 0.063 0.000 0.880 528 V CB 1.237 33.134 31.823 0.124 0.000 0.991 528 V HN 0.860 nan 8.190 nan 0.000 0.460 529 T N 2.935 117.471 114.554 -0.030 0.000 2.831 529 T HA 0.923 5.273 4.350 0.000 0.000 0.287 529 T C -0.262 174.412 174.700 -0.043 0.000 1.070 529 T CA 0.255 62.320 62.100 -0.057 0.000 1.010 529 T CB 1.867 70.726 68.868 -0.015 0.000 1.264 529 T HN 1.441 nan 8.240 nan 0.000 0.532 530 G N 0.063 108.869 108.800 0.011 0.000 2.326 530 G HA2 0.233 4.193 3.960 0.000 0.000 0.413 530 G HA3 0.233 4.193 3.960 0.000 0.000 0.413 530 G C -1.111 173.754 174.900 -0.059 0.000 1.444 530 G CA -0.414 44.660 45.100 -0.043 0.000 1.002 530 G HN 0.836 nan 8.290 nan 0.000 0.649 531 V N 1.144 120.900 119.914 -0.264 0.000 2.788 531 V HA 0.363 4.483 4.120 0.000 0.000 0.307 531 V C 1.645 177.700 176.094 -0.065 0.000 1.069 531 V CA 0.733 62.905 62.300 -0.215 0.000 1.173 531 V CB 1.294 32.949 31.823 -0.280 0.000 0.925 531 V HN 1.765 nan 8.190 nan 0.000 0.492 532 S N 4.034 119.761 115.700 0.044 0.000 2.537 532 S HA 0.420 4.890 4.470 0.000 0.000 0.286 532 S C 1.138 175.494 174.600 -0.408 0.000 1.299 532 S CA 0.112 58.322 58.200 0.016 0.000 1.067 532 S CB 0.653 63.882 63.200 0.047 0.000 0.864 532 S HN 2.222 nan 8.310 nan 0.000 0.494 533 G N 2.469 110.962 108.800 -0.511 0.000 2.175 533 G HA2 -0.319 3.641 3.960 0.000 0.000 0.244 533 G HA3 -0.319 3.641 3.960 0.000 0.000 0.244 533 G C 0.934 175.586 174.900 -0.412 0.000 0.982 533 G CA 0.688 45.232 45.100 -0.926 0.000 0.641 533 G HN 1.729 nan 8.290 nan 0.000 0.527 534 S N -0.711 114.844 115.700 -0.240 0.000 2.436 534 S HA 0.426 4.896 4.470 0.000 0.000 0.228 534 S C 2.052 176.601 174.600 -0.085 0.000 1.014 534 S CA 1.626 59.740 58.200 -0.144 0.000 0.950 534 S CB 0.343 63.468 63.200 -0.124 0.000 0.784 534 S HN 2.308 nan 8.310 nan 0.000 0.504 535 G N 1.808 110.568 108.800 -0.066 0.000 2.234 535 G HA2 -0.164 3.796 3.960 0.000 0.000 0.153 535 G HA3 -0.164 3.796 3.960 0.000 0.000 0.153 535 G C 0.757 175.658 174.900 0.001 0.000 1.013 535 G CA 0.123 45.210 45.100 -0.022 0.000 0.712 535 G HN 0.541 nan 8.290 nan 0.000 0.491 536 K N 0.466 120.861 120.400 -0.008 0.000 2.155 536 K HA 0.147 4.467 4.320 0.000 0.000 0.203 536 K C 2.100 178.720 176.600 0.033 0.000 1.052 536 K CA 1.445 57.740 56.287 0.013 0.000 0.948 536 K CB -0.330 32.160 32.500 -0.018 0.000 0.728 536 K HN 0.174 nan 8.250 nan 0.000 0.448 537 S N 1.181 116.900 115.700 0.032 0.000 2.359 537 S HA -0.116 4.354 4.470 0.000 0.000 0.224 537 S C 1.844 176.467 174.600 0.038 0.000 1.035 537 S CA 1.948 60.173 58.200 0.042 0.000 1.018 537 S CB -0.497 62.736 63.200 0.055 0.000 0.876 537 S HN 0.485 nan 8.310 nan 0.000 0.448 538 T N 2.228 116.805 114.554 0.038 0.000 2.803 538 T HA -0.097 4.253 4.350 0.000 0.000 0.269 538 T C 1.629 176.354 174.700 0.042 0.000 1.052 538 T CA 1.356 63.477 62.100 0.036 0.000 1.136 538 T CB -0.304 68.584 68.868 0.034 0.000 0.864 538 T HN 0.263 nan 8.240 nan 0.000 0.467 539 L N 0.630 121.886 121.223 0.056 0.000 2.034 539 L HA 0.115 4.455 4.340 0.000 0.000 0.203 539 L C 2.331 179.252 176.870 0.086 0.000 1.074 539 L CA 1.497 56.390 54.840 0.089 0.000 0.748 539 L CB -0.503 41.631 42.059 0.125 0.000 0.905 539 L HN 0.044 nan 8.230 nan 0.000 0.439 540 V N -1.395 118.563 119.914 0.072 0.000 2.374 540 V HA -0.041 4.079 4.120 0.000 0.000 0.241 540 V C 2.309 178.394 176.094 -0.015 0.000 1.034 540 V CA 1.588 63.903 62.300 0.024 0.000 1.037 540 V CB -0.202 31.647 31.823 0.043 0.000 0.682 540 V HN 0.414 nan 8.190 nan 0.000 0.463 541 S N -0.852 114.852 115.700 0.006 0.000 2.470 541 S HA -0.038 4.432 4.470 0.000 0.000 0.225 541 S C 1.726 176.324 174.600 -0.002 0.000 1.006 541 S CA 0.824 59.024 58.200 0.000 0.000 0.934 541 S CB 0.084 63.293 63.200 0.016 0.000 0.778 541 S HN 0.638 nan 8.310 nan 0.000 0.517 542 Q N 0.622 120.425 119.800 0.005 0.000 2.527 542 Q HA 0.371 4.711 4.340 0.000 0.000 0.194 542 Q C 2.509 178.507 176.000 -0.004 0.000 0.963 542 Q CA 0.571 56.376 55.803 0.003 0.000 0.861 542 Q CB -0.432 28.315 28.738 0.015 0.000 1.051 542 Q HN 0.390 nan 8.270 nan 0.000 0.605 543 A N 1.158 123.983 122.820 0.010 0.000 1.883 543 A HA -0.196 4.124 4.320 0.000 0.000 0.217 543 A C 2.057 179.638 177.584 -0.006 0.000 1.186 543 A CA 1.588 53.632 52.037 0.011 0.000 0.624 543 A CB -0.672 18.350 19.000 0.035 0.000 0.822 543 A HN 0.329 nan 8.150 nan 0.000 0.444 544 L N -0.508 120.702 121.223 -0.020 0.000 2.095 544 L HA -0.011 4.329 4.340 0.000 0.000 0.204 544 L C 2.355 179.169 176.870 -0.093 0.000 1.080 544 L CA 1.660 56.456 54.840 -0.073 0.000 0.759 544 L CB -0.473 41.488 42.059 -0.163 0.000 0.914 544 L HN 0.125 nan 8.230 nan 0.000 0.439 545 V N 0.205 120.070 119.914 -0.081 0.000 2.261 545 V HA -0.261 3.859 4.120 0.000 0.000 0.246 545 V C 2.250 178.295 176.094 -0.081 0.000 1.047 545 V CA 2.041 64.293 62.300 -0.080 0.000 1.015 545 V CB -0.775 31.012 31.823 -0.060 0.000 0.642 545 V HN 0.449 nan 8.190 nan 0.000 0.446 546 D N 0.569 120.930 120.400 -0.066 0.000 2.144 546 D HA -0.110 4.530 4.640 0.000 0.000 0.199 546 D C 2.149 178.399 176.300 -0.082 0.000 0.984 546 D CA 1.574 55.529 54.000 -0.074 0.000 0.834 546 D CB -0.336 40.435 40.800 -0.049 0.000 0.955 546 D HN 0.457 nan 8.370 nan 0.000 0.465 547 A N 0.231 123.014 122.820 -0.061 0.000 2.067 547 A HA -0.089 4.231 4.320 0.000 0.000 0.219 547 A C 2.006 179.558 177.584 -0.054 0.000 1.158 547 A CA 0.753 52.760 52.037 -0.049 0.000 0.661 547 A CB -0.219 18.761 19.000 -0.033 0.000 0.801 547 A HN 0.148 nan 8.150 nan 0.000 0.452 548 L N -1.483 119.697 121.223 -0.073 0.000 2.298 548 L HA 0.315 4.655 4.340 0.000 0.000 0.209 548 L C 2.536 179.357 176.870 -0.081 0.000 1.084 548 L CA 1.458 56.267 54.840 -0.052 0.000 0.816 548 L CB -0.744 41.269 42.059 -0.077 0.000 0.967 548 L HN 0.311 nan 8.230 nan 0.000 0.460 549 A N -1.018 121.695 122.820 -0.177 0.000 2.119 549 A HA 0.147 4.467 4.320 0.000 0.000 0.216 549 A C 2.314 179.504 177.584 -0.657 0.000 1.152 549 A CA 1.150 52.965 52.037 -0.370 0.000 0.708 549 A CB -0.485 18.347 19.000 -0.281 0.000 0.805 549 A HN 0.371 nan 8.150 nan 0.000 0.460 550 A N -1.159 121.446 122.820 -0.358 0.000 1.898 550 A HA -0.120 4.200 4.320 0.000 0.000 0.214 550 A C 2.070 179.554 177.584 -0.167 0.000 1.183 550 A CA 1.393 53.259 52.037 -0.285 0.000 0.622 550 A CB -0.887 18.046 19.000 -0.111 0.000 0.824 550 A HN 0.722 nan 8.150 nan 0.000 0.444 551 H N -2.023 116.956 119.070 -0.151 0.000 2.421 551 H HA -0.067 4.489 4.556 0.000 0.000 0.298 551 H C 0.020 175.398 175.328 0.083 0.000 1.087 551 H CA 1.308 57.339 56.048 -0.028 0.000 1.330 551 H CB -0.148 29.597 29.762 -0.028 0.000 1.388 551 H HN 0.377 nan 8.280 nan 0.000 0.526 573 S N -0.323 115.383 115.700 0.010 0.000 2.579 573 S HA 1.023 5.493 4.470 0.000 0.000 0.272 573 S C -0.446 174.161 174.600 0.012 0.000 1.141 573 S CA -0.360 57.845 58.200 0.008 0.000 0.843 573 S CB 2.566 65.771 63.200 0.008 0.000 1.122 573 S HN 2.350 nan 8.310 nan 0.000 0.468 574 A N 1.231 124.058 122.820 0.011 0.000 2.586 574 A HA 0.695 5.015 4.320 0.000 0.000 0.298 574 A C -1.571 176.020 177.584 0.012 0.000 1.013 574 A CA -1.126 50.921 52.037 0.016 0.000 0.707 574 A CB 0.949 19.963 19.000 0.023 0.000 1.276 574 A HN 0.914 nan 8.150 nan 0.000 0.414 575 R N 1.493 122.002 120.500 0.015 0.000 2.338 575 R HA 0.696 5.036 4.340 0.000 0.000 0.317 575 R C -0.573 175.732 176.300 0.008 0.000 0.968 575 R CA -0.484 55.622 56.100 0.010 0.000 0.849 575 R CB 1.293 31.599 30.300 0.011 0.000 1.128 575 R HN 0.598 nan 8.270 nan 0.000 0.448 576 L N 1.627 122.844 121.223 -0.010 0.000 2.464 576 L HA 0.553 4.893 4.340 0.000 0.000 0.264 576 L C 0.879 177.735 176.870 -0.024 0.000 1.199 576 L CA 0.176 54.998 54.840 -0.029 0.000 0.818 576 L CB 0.971 42.972 42.059 -0.096 0.000 1.102 576 L HN 0.899 nan 8.230 nan 0.000 0.473 577 G N -0.560 108.232 108.800 -0.015 0.000 2.682 577 G HA2 0.582 4.542 3.960 0.000 0.000 0.303 577 G HA3 0.582 4.542 3.960 0.000 0.000 0.303 577 G C -0.403 174.502 174.900 0.008 0.000 1.341 577 G CA 0.042 45.141 45.100 -0.003 0.000 0.784 577 G HN 1.002 nan 8.290 nan 0.000 0.497 578 G N -0.282 108.531 108.800 0.021 0.000 2.509 578 G HA2 -0.204 3.756 3.960 0.000 0.000 0.259 578 G HA3 -0.204 3.756 3.960 0.000 0.000 0.259 578 G C -0.162 174.756 174.900 0.029 0.000 1.169 578 G CA 0.407 45.532 45.100 0.042 0.000 0.953 578 G HN 0.897 nan 8.290 nan 0.000 0.563 579 D N 1.279 121.704 120.400 0.043 0.000 3.057 579 D HA 0.262 4.902 4.640 0.000 0.000 0.246 579 D C 1.567 177.867 176.300 -0.000 0.000 1.238 579 D CA -0.304 53.713 54.000 0.028 0.000 0.949 579 D CB 0.666 41.492 40.800 0.043 0.000 1.086 579 D HN 0.219 nan 8.370 nan 0.000 0.487 580 L N 0.820 122.028 121.223 -0.025 0.000 2.622 580 L HA -0.006 4.334 4.340 0.000 0.000 0.233 580 L C 1.943 178.812 176.870 -0.001 0.000 1.156 580 L CA 0.682 55.478 54.840 -0.074 0.000 0.866 580 L CB -0.042 41.899 42.059 -0.195 0.000 0.980 580 L HN 0.124 nan 8.230 nan 0.000 0.448 581 A N -1.965 120.869 122.820 0.024 0.000 2.238 581 A HA 0.030 4.350 4.320 0.000 0.000 0.210 581 A C 1.907 179.511 177.584 0.034 0.000 1.179 581 A CA 0.149 52.215 52.037 0.049 0.000 0.827 581 A CB -0.136 18.890 19.000 0.043 0.000 0.856 581 A HN 0.537 nan 8.150 nan 0.000 0.488 582 Q N -0.072 119.738 119.800 0.017 0.000 2.424 582 Q HA 0.189 4.529 4.340 0.000 0.000 0.204 582 Q C 0.177 176.179 176.000 0.003 0.000 0.933 582 Q CA 0.315 56.122 55.803 0.007 0.000 0.929 582 Q CB -0.063 28.671 28.738 -0.006 0.000 1.037 582 Q HN 0.874 nan 8.270 nan 0.000 0.511 583 I N -1.769 118.807 120.570 0.009 0.000 2.377 583 I HA 0.345 4.515 4.170 0.000 0.000 0.293 583 I C 0.643 176.780 176.117 0.033 0.000 0.987 583 I CA -0.639 60.663 61.300 0.003 0.000 1.185 583 I CB 1.753 39.741 38.000 -0.020 0.000 1.341 583 I HN -0.162 nan 8.210 nan 0.000 0.455 584 T N 1.761 116.321 114.554 0.011 0.000 2.985 584 T HA 0.303 4.653 4.350 0.000 0.000 0.254 584 T C 0.557 175.259 174.700 0.003 0.000 1.021 584 T CA -0.345 61.765 62.100 0.017 0.000 0.957 584 T CB 0.052 68.923 68.868 0.006 0.000 1.047 584 T HN 0.839 nan 8.240 nan 0.000 0.511 585 R N 0.362 120.845 120.500 -0.028 0.000 2.643 585 R HA 0.672 5.012 4.340 0.000 0.000 0.269 585 R C -1.816 174.418 176.300 -0.110 0.000 1.037 585 R CA -1.187 54.882 56.100 -0.052 0.000 0.894 585 R CB 1.371 31.632 30.300 -0.065 0.000 1.238 585 R HN 0.111 nan 8.270 nan 0.000 0.459 586 L N 3.125 124.292 121.223 -0.093 0.000 2.296 586 L HA 0.633 4.973 4.340 0.000 0.000 0.286 586 L C -1.041 175.739 176.870 -0.150 0.000 1.023 586 L CA -0.706 54.054 54.840 -0.133 0.000 0.812 586 L CB 1.757 43.767 42.059 -0.083 0.000 1.223 586 L HN 0.663 nan 8.230 nan 0.000 0.421 587 V N 6.242 126.018 119.914 -0.230 0.000 2.588 587 V HA 0.572 4.692 4.120 0.000 0.000 0.304 587 V C -0.797 175.271 176.094 -0.044 0.000 1.042 587 V CA -0.802 61.416 62.300 -0.137 0.000 0.877 587 V CB 2.071 33.813 31.823 -0.136 0.000 0.996 587 V HN 1.011 nan 8.190 nan 0.000 0.425 588 R N 4.353 124.856 120.500 0.005 0.000 2.368 588 R HA 0.784 5.124 4.340 0.000 0.000 0.302 588 R C -1.688 174.651 176.300 0.064 0.000 1.002 588 R CA -0.437 55.681 56.100 0.029 0.000 0.929 588 R CB 1.838 32.145 30.300 0.012 0.000 1.073 588 R HN 0.712 nan 8.270 nan 0.000 0.464 589 V N 5.350 125.305 119.914 0.069 0.000 2.419 589 V HA 0.223 4.343 4.120 0.000 0.000 0.287 589 V C -0.662 175.452 176.094 0.033 0.000 1.017 589 V CA -0.872 61.464 62.300 0.061 0.000 0.844 589 V CB 1.234 33.102 31.823 0.075 0.000 1.011 589 V HN 0.919 nan 8.190 nan 0.000 0.429 590 D N 3.110 123.522 120.400 0.020 0.000 2.654 590 D HA 0.342 4.982 4.640 0.000 0.000 0.255 590 D C -0.008 176.287 176.300 -0.009 0.000 1.101 590 D CA -0.932 53.073 54.000 0.009 0.000 1.116 590 D CB 1.639 42.446 40.800 0.012 0.000 1.348 590 D HN 0.352 nan 8.370 nan 0.000 0.609 591 Q N -0.804 118.989 119.800 -0.011 0.000 2.201 591 Q HA 0.167 4.507 4.340 0.000 0.000 0.217 591 Q C -0.389 175.592 176.000 -0.032 0.000 0.860 591 Q CA -0.410 55.378 55.803 -0.026 0.000 0.984 591 Q CB 0.334 29.059 28.738 -0.021 0.000 1.095 591 Q HN 0.087 nan 8.270 nan 0.000 0.477 592 K N 2.237 122.621 120.400 -0.026 0.000 2.319 592 K HA 0.127 4.447 4.320 0.000 0.000 0.265 592 K C -2.360 174.209 176.600 -0.052 0.000 1.000 592 K CA -1.550 54.721 56.287 -0.027 0.000 0.943 592 K CB 0.029 32.522 32.500 -0.011 0.000 0.950 592 K HN -0.045 nan 8.250 nan 0.000 0.485 593 P HA 0.101 nan 4.420 nan 0.000 0.274 593 P C 0.549 177.788 177.300 -0.103 0.000 1.231 593 P CA -0.226 62.824 63.100 -0.083 0.000 0.790 593 P CB 0.351 32.012 31.700 -0.065 0.000 0.951 594 I N -1.621 118.841 120.570 -0.180 0.000 3.001 594 I HA 0.259 4.429 4.170 0.000 0.000 0.268 594 I C 0.640 176.720 176.117 -0.063 0.000 1.267 594 I CA 0.616 61.759 61.300 -0.261 0.000 1.472 594 I CB -0.464 37.173 38.000 -0.606 0.000 1.089 594 I HN 0.332 nan 8.210 nan 0.000 0.468 595 G N 0.183 108.954 108.800 -0.048 0.000 2.489 595 G HA2 0.303 4.264 3.960 0.000 0.000 0.291 595 G HA3 0.303 4.264 3.960 0.000 0.000 0.291 595 G C -0.403 174.482 174.900 -0.024 0.000 1.487 595 G CA -0.666 44.432 45.100 -0.004 0.000 0.795 595 G HN -0.101 nan 8.290 nan 0.000 0.513 596 R N -0.773 119.726 120.500 -0.003 0.000 2.308 596 R HA 0.192 4.532 4.340 0.000 0.000 0.202 596 R C 1.153 177.459 176.300 0.010 0.000 0.898 596 R CA 1.119 57.221 56.100 0.004 0.000 1.046 596 R CB 0.473 30.786 30.300 0.022 0.000 1.026 596 R HN 0.766 nan 8.270 nan 0.000 0.512 597 T N -3.049 111.495 114.554 -0.017 0.000 2.942 597 T HA 0.389 4.740 4.350 0.000 0.000 0.289 597 T C -2.251 172.334 174.700 -0.191 0.000 1.044 597 T CA -1.966 60.096 62.100 -0.062 0.000 1.023 597 T CB 2.504 71.374 68.868 0.002 0.000 1.123 597 T HN -0.274 nan 8.240 nan 0.000 0.512 598 P HA 0.014 nan 4.420 nan 0.000 0.223 598 P C 1.552 178.721 177.300 -0.219 0.000 1.144 598 P CA 0.598 63.464 63.100 -0.392 0.000 0.783 598 P CB 0.053 31.451 31.700 -0.504 0.000 0.771 599 R N -0.493 119.943 120.500 -0.107 0.000 2.170 599 R HA -0.022 4.318 4.340 0.000 0.000 0.242 599 R C 0.466 176.814 176.300 0.080 0.000 1.145 599 R CA 0.884 56.997 56.100 0.021 0.000 0.984 599 R CB -0.468 29.892 30.300 0.099 0.000 0.869 599 R HN 0.221 nan 8.270 nan 0.000 0.455 600 S N 0.913 116.616 115.700 0.006 0.000 2.545 600 S HA 0.177 4.647 4.470 0.000 0.000 0.275 600 S C -0.017 174.566 174.600 -0.028 0.000 1.299 600 S CA -0.655 57.565 58.200 0.033 0.000 1.048 600 S CB 0.882 64.093 63.200 0.019 0.000 0.938 600 S HN 0.396 nan 8.310 nan 0.000 0.496 601 N N 1.588 120.301 118.700 0.022 0.000 3.204 601 N HA 0.320 5.060 4.740 0.000 0.000 0.285 601 N C 0.486 176.018 175.510 0.037 0.000 1.536 601 N CA -0.896 52.136 53.050 -0.029 0.000 0.832 601 N CB 0.808 39.241 38.487 -0.090 0.000 1.645 601 N HN 0.382 nan 8.380 nan 0.000 0.586 602 M N 0.293 119.895 119.600 0.004 0.000 2.175 602 M HA -0.041 4.439 4.480 0.000 0.000 0.264 602 M C 2.142 178.501 176.300 0.097 0.000 1.063 602 M CA 1.919 57.249 55.300 0.049 0.000 1.119 602 M CB -0.288 32.306 32.600 -0.010 0.000 1.377 602 M HN 0.808 nan 8.290 nan 0.000 0.415 603 A N -0.593 122.265 122.820 0.063 0.000 1.877 603 A HA -0.177 4.143 4.320 0.000 0.000 0.216 603 A C 2.099 179.772 177.584 0.147 0.000 1.186 603 A CA 2.375 54.475 52.037 0.105 0.000 0.620 603 A CB -1.252 17.781 19.000 0.055 0.000 0.822 603 A HN 0.458 nan 8.150 nan 0.000 0.443 604 T N -1.876 112.741 114.554 0.105 0.000 2.674 604 T HA -0.165 4.185 4.350 0.000 0.000 0.265 604 T C 1.799 176.568 174.700 0.115 0.000 1.039 604 T CA 1.770 63.944 62.100 0.123 0.000 1.150 604 T CB -0.435 68.509 68.868 0.126 0.000 0.864 604 T HN 0.528 nan 8.240 nan 0.000 0.427 605 Y N 1.857 122.174 120.300 0.029 0.000 2.165 605 Y HA -0.209 4.341 4.550 0.000 0.000 0.286 605 Y C 2.701 178.614 175.900 0.022 0.000 1.155 605 Y CA 1.956 60.067 58.100 0.018 0.000 1.164 605 Y CB -0.406 38.054 38.460 -0.000 0.000 0.978 605 Y HN 0.331 nan 8.280 nan 0.000 0.513 606 T N -3.596 111.030 114.554 0.119 0.000 3.107 606 T HA 0.307 4.657 4.350 0.000 0.000 0.249 606 T C 1.548 176.257 174.700 0.014 0.000 1.096 606 T CA 0.566 62.704 62.100 0.063 0.000 1.012 606 T CB -0.201 68.736 68.868 0.116 0.000 0.977 606 T HN 0.657 nan 8.240 nan 0.000 0.527 607 G N 1.737 110.553 108.800 0.026 0.000 2.157 607 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 607 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 607 G C 0.625 175.551 174.900 0.043 0.000 0.979 607 G CA 0.392 45.504 45.100 0.021 0.000 0.650 607 G HN 0.886 nan 8.290 nan 0.000 0.529 608 L N -2.625 118.639 121.223 0.068 0.000 2.313 608 L HA 0.553 4.893 4.340 0.000 0.000 0.214 608 L C 2.111 179.031 176.870 0.083 0.000 1.119 608 L CA 1.610 56.473 54.840 0.039 0.000 0.809 608 L CB -0.652 41.418 42.059 0.018 0.000 0.933 608 L HN 0.085 nan 8.230 nan 0.000 0.449 609 F N 1.479 121.424 119.950 -0.009 0.000 2.293 609 F HA -0.070 4.457 4.527 0.000 0.000 0.300 609 F C 1.852 177.651 175.800 -0.002 0.000 1.086 609 F CA 1.015 59.028 58.000 0.020 0.000 1.375 609 F CB -0.330 38.713 39.000 0.072 0.000 1.045 609 F HN 0.169 nan 8.300 nan 0.000 0.516 610 D N -0.003 120.384 120.400 -0.022 0.000 2.104 610 D HA -0.200 4.440 4.640 0.000 0.000 0.194 610 D C 2.127 178.336 176.300 -0.151 0.000 0.994 610 D CA 1.422 55.359 54.000 -0.104 0.000 0.830 610 D CB -0.368 40.407 40.800 -0.042 0.000 0.959 610 D HN 0.323 nan 8.370 nan 0.000 0.452 611 Q N 0.014 119.739 119.800 -0.126 0.000 2.119 611 Q HA -0.047 4.293 4.340 0.000 0.000 0.201 611 Q C 2.368 178.246 176.000 -0.203 0.000 0.972 611 Q CA 0.446 56.160 55.803 -0.150 0.000 0.847 611 Q CB -0.224 28.431 28.738 -0.139 0.000 0.903 611 Q HN 0.141 nan 8.270 nan 0.000 0.433 612 V N 0.853 120.636 119.914 -0.219 0.000 2.255 612 V HA -0.317 3.803 4.120 0.000 0.000 0.247 612 V C 2.126 178.110 176.094 -0.183 0.000 1.051 612 V CA 2.120 64.319 62.300 -0.168 0.000 1.018 612 V CB -0.526 31.285 31.823 -0.021 0.000 0.641 612 V HN 0.335 nan 8.190 nan 0.000 0.445 613 R N 0.132 120.393 120.500 -0.398 0.000 2.096 613 R HA -0.183 4.157 4.340 0.000 0.000 0.235 613 R C 2.455 178.632 176.300 -0.205 0.000 1.127 613 R CA 1.508 57.402 56.100 -0.344 0.000 0.968 613 R CB -0.436 29.660 30.300 -0.340 0.000 0.861 613 R HN 0.499 nan 8.270 nan 0.000 0.440 614 K N 1.460 121.759 120.400 -0.169 0.000 2.103 614 K HA -0.140 4.180 4.320 0.000 0.000 0.207 614 K C 1.987 178.495 176.600 -0.153 0.000 1.048 614 K CA 1.251 57.466 56.287 -0.120 0.000 0.930 614 K CB -0.048 32.388 32.500 -0.107 0.000 0.716 614 K HN 0.190 nan 8.250 nan 0.000 0.444 615 L N -0.081 121.005 121.223 -0.228 0.000 2.141 615 L HA -0.113 4.227 4.340 0.000 0.000 0.209 615 L C 2.248 178.866 176.870 -0.420 0.000 1.094 615 L CA 0.909 55.530 54.840 -0.365 0.000 0.763 615 L CB -0.285 41.412 42.059 -0.604 0.000 0.908 615 L HN 0.126 nan 8.230 nan 0.000 0.437 616 F N -0.205 119.455 119.950 -0.484 0.000 2.234 616 F HA -0.084 4.443 4.527 0.000 0.000 0.296 616 F C 2.553 178.049 175.800 -0.507 0.000 1.089 616 F CA 1.052 58.669 58.000 -0.638 0.000 1.343 616 F CB -0.364 37.873 39.000 -1.271 0.000 1.040 616 F HN -0.022 nan 8.300 nan 0.000 0.498 617 A N -0.280 122.421 122.820 -0.199 0.000 2.015 617 A HA 0.014 4.334 4.320 0.000 0.000 0.219 617 A C 2.202 179.842 177.584 0.093 0.000 1.163 617 A CA 1.375 53.499 52.037 0.146 0.000 0.646 617 A CB -1.044 18.080 19.000 0.208 0.000 0.806 617 A HN 0.263 nan 8.150 nan 0.000 0.448 618 A N -0.713 122.106 122.820 -0.002 0.000 2.206 618 A HA 0.246 4.566 4.320 0.000 0.000 0.211 618 A C 1.126 178.718 177.584 0.013 0.000 1.158 618 A CA 0.772 52.810 52.037 0.001 0.000 0.761 618 A CB -0.673 18.306 19.000 -0.034 0.000 0.801 618 A HN 0.332 nan 8.150 nan 0.000 0.473 619 T N 1.735 116.300 114.554 0.019 0.000 2.919 619 T HA 0.245 4.595 4.350 0.000 0.000 0.302 619 T C -1.617 173.115 174.700 0.054 0.000 1.031 619 T CA -0.675 61.448 62.100 0.038 0.000 1.127 619 T CB 0.956 69.850 68.868 0.043 0.000 0.952 619 T HN 0.077 nan 8.240 nan 0.000 0.540 620 P HA -0.022 nan 4.420 nan 0.000 0.219 620 P C 1.489 178.801 177.300 0.019 0.000 1.146 620 P CA 0.561 63.675 63.100 0.023 0.000 0.808 620 P CB 0.159 31.866 31.700 0.012 0.000 0.779 621 L N -1.261 119.982 121.223 0.033 0.000 2.068 621 L HA -0.073 4.267 4.340 0.000 0.000 0.204 621 L C 2.259 179.101 176.870 -0.046 0.000 1.076 621 L CA 1.444 56.287 54.840 0.005 0.000 0.753 621 L CB -0.759 41.327 42.059 0.045 0.000 0.910 621 L HN -0.063 nan 8.230 nan 0.000 0.439 622 A N -0.010 122.853 122.820 0.073 0.000 1.858 622 A HA -0.228 4.093 4.320 0.000 0.000 0.216 622 A C 2.231 179.858 177.584 0.072 0.000 1.190 622 A CA 1.677 53.800 52.037 0.143 0.000 0.617 622 A CB -0.483 18.808 19.000 0.485 0.000 0.827 622 A HN 0.302 nan 8.150 nan 0.000 0.443 623 K N -0.229 120.222 120.400 0.086 0.000 2.113 623 K HA -0.237 4.083 4.320 0.000 0.000 0.208 623 K C 2.084 178.693 176.600 0.015 0.000 1.047 623 K CA 1.867 58.190 56.287 0.060 0.000 0.928 623 K CB -0.241 32.287 32.500 0.047 0.000 0.716 623 K HN 0.484 nan 8.250 nan 0.000 0.446 624 K N 1.550 121.936 120.400 -0.022 0.000 2.002 624 K HA -0.105 4.215 4.320 0.000 0.000 0.209 624 K C 1.034 177.590 176.600 -0.073 0.000 1.048 624 K CA 1.181 57.442 56.287 -0.043 0.000 0.930 624 K CB -0.037 32.434 32.500 -0.049 0.000 0.714 624 K HN 0.013 nan 8.250 nan 0.000 0.438 625 R N -1.285 119.111 120.500 -0.174 0.000 2.828 625 R HA 0.244 4.584 4.340 0.000 0.000 0.270 625 R C 1.335 177.602 176.300 -0.055 0.000 1.244 625 R CA 0.290 56.264 56.100 -0.209 0.000 1.143 625 R CB -0.163 29.786 30.300 -0.586 0.000 1.128 625 R HN 0.356 nan 8.270 nan 0.000 0.587 626 G N -0.091 108.760 108.800 0.086 0.000 3.327 626 G HA2 -0.012 3.948 3.960 0.000 0.000 0.240 626 G HA3 -0.012 3.948 3.960 0.000 0.000 0.240 626 G C -0.541 174.538 174.900 0.298 0.000 1.222 626 G CA -0.101 45.103 45.100 0.174 0.000 0.871 626 G HN 0.261 nan 8.290 nan 0.000 0.525 627 Y N 2.406 122.735 120.300 0.049 0.000 2.537 627 Y HA 0.141 4.691 4.550 0.000 0.000 0.339 627 Y C 1.003 176.980 175.900 0.129 0.000 1.066 627 Y CA -1.858 56.272 58.100 0.050 0.000 1.357 627 Y CB 0.005 38.522 38.460 0.096 0.000 1.175 627 Y HN 0.313 nan 8.280 nan 0.000 0.525 628 N N 0.921 119.745 118.700 0.205 0.000 2.671 628 N HA 0.435 5.175 4.740 0.000 0.000 0.303 628 N C 0.707 176.379 175.510 0.271 0.000 1.277 628 N CA -0.166 53.004 53.050 0.201 0.000 0.933 628 N CB 1.025 39.578 38.487 0.109 0.000 1.190 628 N HN 0.402 nan 8.380 nan 0.000 0.600 629 A N -0.391 122.561 122.820 0.220 0.000 1.969 629 A HA 0.061 4.381 4.320 0.000 0.000 0.218 629 A C 1.958 179.652 177.584 0.183 0.000 1.169 629 A CA 1.702 53.883 52.037 0.240 0.000 0.635 629 A CB -1.406 17.644 19.000 0.084 0.000 0.810 629 A HN 0.819 nan 8.150 nan 0.000 0.445 630 G N -0.579 108.269 108.800 0.080 0.000 2.509 630 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 630 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 630 G C 1.554 176.436 174.900 -0.031 0.000 1.124 630 G CA 0.958 46.071 45.100 0.022 0.000 0.776 630 G HN 0.538 nan 8.290 nan 0.000 0.547 631 R N -0.064 120.359 120.500 -0.129 0.000 2.189 631 R HA 0.095 4.435 4.340 0.000 0.000 0.218 631 R C 0.874 176.862 176.300 -0.520 0.000 1.074 631 R CA 0.741 56.581 56.100 -0.434 0.000 0.991 631 R CB -0.439 29.394 30.300 -0.778 0.000 0.883 631 R HN 0.358 nan 8.270 nan 0.000 0.457 632 F N -0.556 119.383 119.950 -0.018 0.000 2.647 632 F HA 0.387 4.914 4.527 0.000 0.000 0.300 632 F C 0.436 176.376 175.800 0.234 0.000 1.106 632 F CA -0.344 57.669 58.000 0.022 0.000 1.313 632 F CB 0.355 39.244 39.000 -0.184 0.000 1.007 632 F HN -0.144 nan 8.300 nan 0.000 0.536 633 S N 0.779 116.631 115.700 0.253 0.000 2.513 633 S HA 0.227 4.697 4.470 0.000 0.000 0.276 633 S C 0.749 175.419 174.600 0.117 0.000 1.254 633 S CA -0.634 57.652 58.200 0.144 0.000 1.053 633 S CB 0.229 63.427 63.200 -0.003 0.000 0.958 633 S HN 0.329 nan 8.310 nan 0.000 0.491 634 F N 3.565 123.592 119.950 0.127 0.000 2.773 634 F HA 0.404 4.931 4.527 0.000 0.000 0.304 634 F C 0.822 176.567 175.800 -0.092 0.000 1.129 634 F CA -0.195 57.687 58.000 -0.197 0.000 1.378 634 F CB -0.858 37.892 39.000 -0.418 0.000 1.095 634 F HN 0.521 nan 8.300 nan 0.000 0.565 635 N N -0.022 118.588 118.700 -0.149 0.000 2.294 635 N HA 0.123 4.863 4.740 0.000 0.000 0.186 635 N C 0.038 175.529 175.510 -0.033 0.000 1.107 635 N CA 0.279 53.286 53.050 -0.071 0.000 0.884 635 N CB 1.161 39.557 38.487 -0.150 0.000 1.030 635 N HN 0.244 nan 8.380 nan 0.000 0.482 636 V N -0.595 119.297 119.914 -0.036 0.000 2.881 636 V HA 0.536 4.656 4.120 0.000 0.000 0.316 636 V C -0.668 175.417 176.094 -0.015 0.000 1.070 636 V CA -1.245 61.045 62.300 -0.017 0.000 0.976 636 V CB 1.633 33.446 31.823 -0.016 0.000 1.038 636 V HN -0.089 nan 8.190 nan 0.000 0.446 637 K N 2.121 122.515 120.400 -0.010 0.000 2.295 637 K HA 0.725 5.045 4.320 0.000 0.000 0.270 637 K C 0.881 177.464 176.600 -0.030 0.000 1.011 637 K CA 0.668 56.946 56.287 -0.015 0.000 0.953 637 K CB 0.751 33.249 32.500 -0.004 0.000 0.956 637 K HN 1.380 nan 8.250 nan 0.000 0.477 638 G N 0.682 109.457 108.800 -0.042 0.000 3.246 638 G HA2 -0.182 3.778 3.960 0.000 0.000 0.196 638 G HA3 -0.182 3.778 3.960 0.000 0.000 0.196 638 G C 0.896 175.730 174.900 -0.111 0.000 2.019 638 G CA -0.162 44.893 45.100 -0.076 0.000 1.385 638 G HN 0.709 nan 8.290 nan 0.000 0.484 639 G N 1.180 109.908 108.800 -0.120 0.000 2.833 639 G HA2 0.420 4.380 3.960 0.000 0.000 0.210 639 G HA3 0.420 4.380 3.960 0.000 0.000 0.210 639 G C 0.863 175.807 174.900 0.075 0.000 1.139 639 G CA 0.944 45.977 45.100 -0.112 0.000 0.771 639 G HN 0.877 nan 8.290 nan 0.000 0.535 640 R N -0.892 119.620 120.500 0.020 0.000 2.707 640 R HA 0.405 4.745 4.340 0.000 0.000 0.270 640 R C -0.108 176.178 176.300 -0.023 0.000 1.083 640 R CA -0.522 55.547 56.100 -0.052 0.000 1.182 640 R CB 0.141 30.396 30.300 -0.075 0.000 1.084 640 R HN 0.011 nan 8.270 nan 0.000 0.528 641 C N 2.167 121.439 119.300 -0.047 0.000 2.566 641 C HA 0.157 4.617 4.460 0.000 0.000 0.393 641 C C 0.746 175.733 174.990 -0.006 0.000 1.309 641 C CA -0.344 58.670 59.018 -0.006 0.000 1.801 641 C CB -0.511 27.226 27.740 -0.006 0.000 2.493 641 C HN 0.943 nan 8.230 nan 0.000 0.575 642 E N 1.879 122.085 120.200 0.009 0.000 2.403 642 E HA 0.084 4.434 4.350 0.000 0.000 0.187 642 E C 1.088 177.702 176.600 0.023 0.000 1.073 642 E CA 0.443 56.841 56.400 -0.003 0.000 0.888 642 E CB -0.305 29.387 29.700 -0.014 0.000 1.035 642 E HN 0.947 nan 8.360 nan 0.000 0.471 643 H N -1.462 117.571 119.070 -0.060 0.000 2.355 643 H HA 0.019 4.575 4.556 0.000 0.000 0.312 643 H C 1.947 177.238 175.328 -0.062 0.000 1.051 643 H CA 1.714 57.723 56.048 -0.066 0.000 1.389 643 H CB -0.296 29.426 29.762 -0.068 0.000 1.455 643 H HN 0.314 nan 8.280 nan 0.000 0.575 644 C N 2.050 121.281 119.300 -0.115 0.000 2.562 644 C HA 0.106 4.567 4.460 0.000 0.000 0.266 644 C C 0.932 175.871 174.990 -0.085 0.000 1.382 644 C CA 0.345 59.281 59.018 -0.137 0.000 1.742 644 C CB -1.455 26.243 27.740 -0.069 0.000 1.812 644 C HN 0.852 nan 8.230 nan 0.000 0.559 645 Q N 0.773 120.533 119.800 -0.066 0.000 2.423 645 Q HA -0.148 4.192 4.340 0.000 0.000 0.332 645 Q C 0.853 176.839 176.000 -0.023 0.000 1.355 645 Q CA 0.929 56.706 55.803 -0.044 0.000 0.947 645 Q CB -2.357 26.351 28.738 -0.049 0.000 1.189 645 Q HN 1.879 nan 8.270 nan 0.000 0.418 646 G N -0.117 108.656 108.800 -0.045 0.000 2.176 646 G HA2 -0.397 3.563 3.960 0.000 0.000 0.253 646 G HA3 -0.397 3.563 3.960 0.000 0.000 0.253 646 G C 0.418 175.292 174.900 -0.044 0.000 0.979 646 G CA 0.569 45.648 45.100 -0.036 0.000 0.641 646 G HN 0.569 nan 8.290 nan 0.000 0.530 647 E N -0.378 119.800 120.200 -0.038 0.000 2.112 647 E HA 0.322 4.672 4.350 0.000 0.000 0.190 647 E C 2.331 178.914 176.600 -0.028 0.000 0.979 647 E CA 1.457 57.835 56.400 -0.037 0.000 0.814 647 E CB -0.345 29.357 29.700 0.004 0.000 0.762 647 E HN 1.446 nan 8.360 nan 0.000 0.460 648 G N -0.100 108.677 108.800 -0.038 0.000 2.363 648 G HA2 -0.269 3.691 3.960 0.000 0.000 0.238 648 G HA3 -0.269 3.691 3.960 0.000 0.000 0.238 648 G C -0.071 174.767 174.900 -0.103 0.000 1.062 648 G CA 0.424 45.492 45.100 -0.053 0.000 0.629 648 G HN 0.240 nan 8.290 nan 0.000 0.514 649 W N -0.096 121.134 121.300 -0.117 0.000 2.689 649 W HA 0.660 5.320 4.660 0.000 0.000 0.340 649 W C -0.465 176.100 176.519 0.076 0.000 1.060 649 W CA -0.773 56.551 57.345 -0.036 0.000 1.218 649 W CB 2.171 31.551 29.460 -0.134 0.000 1.410 649 W HN 0.071 nan 8.180 nan 0.000 0.528 650 V N 4.089 124.191 119.914 0.313 0.000 2.555 650 V HA 0.307 4.427 4.120 0.000 0.000 0.302 650 V C 0.159 176.427 176.094 0.291 0.000 1.038 650 V CA -0.981 61.465 62.300 0.244 0.000 0.887 650 V CB 2.028 33.887 31.823 0.060 0.000 0.991 650 V HN 0.470 nan 8.190 nan 0.000 0.434 651 M N 4.367 124.045 119.600 0.130 0.000 2.146 651 M HA 0.314 4.794 4.480 0.000 0.000 0.352 651 M C -0.247 176.001 176.300 -0.087 0.000 1.343 651 M CA -0.106 55.082 55.300 -0.186 0.000 1.115 651 M CB 1.116 33.528 32.600 -0.313 0.000 1.657 651 M HN 0.548 nan 8.290 nan 0.000 0.471 652 V N 7.245 127.114 119.914 -0.074 0.000 2.153 652 V HA 0.050 4.170 4.120 0.000 0.000 0.250 652 V C 0.584 176.657 176.094 -0.035 0.000 1.334 652 V CA -0.071 62.215 62.300 -0.023 0.000 1.249 652 V CB -0.401 31.441 31.823 0.030 0.000 1.371 652 V HN 0.985 nan 8.190 nan 0.000 0.498 653 E N 4.034 124.215 120.200 -0.031 0.000 2.106 653 E HA -0.194 4.156 4.350 0.000 0.000 0.192 653 E C 1.668 178.301 176.600 0.055 0.000 0.984 653 E CA 1.237 57.641 56.400 0.006 0.000 0.806 653 E CB -0.453 29.254 29.700 0.012 0.000 0.750 653 E HN 0.643 nan 8.360 nan 0.000 0.458 654 L N 0.386 121.606 121.223 -0.006 0.000 2.261 654 L HA -0.053 4.287 4.340 0.000 0.000 0.216 654 L C 1.125 177.807 176.870 -0.314 0.000 1.114 654 L CA 0.233 54.986 54.840 -0.145 0.000 0.777 654 L CB -0.329 41.633 42.059 -0.160 0.000 0.910 654 L HN 0.219 nan 8.230 nan 0.000 0.440 655 L N 0.722 121.885 121.223 -0.099 0.000 2.638 655 L HA -0.086 4.254 4.340 0.000 0.000 0.273 655 L C 0.486 177.395 176.870 0.066 0.000 1.147 655 L CA -0.217 54.590 54.840 -0.057 0.000 0.941 655 L CB 0.216 42.278 42.059 0.006 0.000 1.251 655 L HN 0.053 nan 8.230 nan 0.000 0.479 656 F N 4.832 124.764 119.950 -0.030 0.000 2.772 656 F HA 0.078 4.605 4.527 0.000 0.000 0.302 656 F C 0.823 176.596 175.800 -0.044 0.000 1.225 656 F CA 0.184 58.166 58.000 -0.030 0.000 1.429 656 F CB -0.761 38.228 39.000 -0.017 0.000 1.104 656 F HN 0.380 nan 8.300 nan 0.000 0.550 657 L N -0.054 121.234 121.223 0.109 0.000 2.793 657 L HA 0.378 4.718 4.340 0.000 0.000 0.242 657 L C -1.526 175.365 176.870 0.034 0.000 1.315 657 L CA -1.802 53.063 54.840 0.040 0.000 1.263 657 L CB 0.222 42.272 42.059 -0.015 0.000 2.076 657 L HN -0.216 nan 8.230 nan 0.000 0.575 658 P HA -0.006 nan 4.420 nan 0.000 0.270 658 P C -1.067 176.227 177.300 -0.010 0.000 1.227 658 P CA -0.089 63.013 63.100 0.002 0.000 0.788 658 P CB 0.286 31.988 31.700 0.004 0.000 0.926 659 S N -0.291 115.384 115.700 -0.042 0.000 2.420 659 S HA 0.436 4.906 4.470 0.000 0.000 0.313 659 S C 0.407 174.922 174.600 -0.142 0.000 1.079 659 S CA -0.767 57.378 58.200 -0.091 0.000 1.104 659 S CB -0.063 63.058 63.200 -0.132 0.000 0.969 659 S HN 0.407 nan 8.310 nan 0.000 0.471 660 V N 1.831 121.701 119.914 -0.074 0.000 3.556 660 V HA 0.640 4.760 4.120 0.000 0.000 0.292 660 V C -0.771 175.264 176.094 -0.098 0.000 1.030 660 V CA -1.039 61.247 62.300 -0.025 0.000 1.009 660 V CB -0.195 31.684 31.823 0.094 0.000 1.242 660 V HN 0.784 nan 8.190 nan 0.000 0.431 661 Y N -0.044 120.335 120.300 0.132 0.000 2.409 661 Y HA 0.778 5.328 4.550 0.000 0.000 0.339 661 Y C 0.507 176.649 175.900 0.403 0.000 1.033 661 Y CA 0.062 58.312 58.100 0.251 0.000 1.094 661 Y CB 1.805 40.410 38.460 0.242 0.000 1.210 661 Y HN 1.033 nan 8.280 nan 0.000 0.456 662 A N 4.144 127.252 122.820 0.481 0.000 2.337 662 A HA 0.810 5.130 4.320 0.000 0.000 0.331 662 A C -2.864 174.679 177.584 -0.069 0.000 1.137 662 A CA -2.174 50.012 52.037 0.249 0.000 0.807 662 A CB 0.890 19.948 19.000 0.096 0.000 1.250 662 A HN 0.433 nan 8.150 nan 0.000 0.468 663 P HA 0.234 nan 4.420 nan 0.000 0.274 663 P C 0.005 177.000 177.300 -0.509 0.000 1.231 663 P CA -0.531 61.984 63.100 -0.975 0.000 0.790 663 P CB 0.431 31.616 31.700 -0.858 0.000 0.951 664 C N 4.422 123.442 119.300 -0.467 0.000 2.611 664 C HA 0.099 4.559 4.460 0.000 0.000 0.416 664 C C -0.991 173.799 174.990 -0.334 0.000 1.366 664 C CA -0.961 57.911 59.018 -0.243 0.000 1.761 664 C CB -0.959 26.692 27.740 -0.149 0.000 2.619 664 C HN 0.495 nan 8.230 nan 0.000 0.606 665 P HA -0.003 nan 4.420 nan 0.000 0.237 665 P C 0.995 178.074 177.300 -0.367 0.000 1.178 665 P CA 0.814 63.708 63.100 -0.345 0.000 0.766 665 P CB 0.068 31.646 31.700 -0.202 0.000 0.876 666 V N -0.565 119.202 119.914 -0.244 0.000 2.721 666 V HA -0.076 4.044 4.120 0.000 0.000 0.236 666 V C 2.504 178.607 176.094 0.014 0.000 1.116 666 V CA 1.531 63.758 62.300 -0.122 0.000 1.148 666 V CB -0.829 30.912 31.823 -0.138 0.000 0.886 666 V HN 0.210 nan 8.190 nan 0.000 0.490 667 C N -1.510 117.786 119.300 -0.007 0.000 2.533 667 C HA 0.230 4.690 4.460 0.000 0.000 0.272 667 C C 1.239 176.296 174.990 0.111 0.000 1.371 667 C CA 0.160 59.209 59.018 0.052 0.000 1.758 667 C CB -1.067 26.680 27.740 0.011 0.000 1.972 667 C HN 0.761 nan 8.230 nan 0.000 0.522 668 H N 0.573 119.561 119.070 -0.136 0.000 2.976 668 H HA -0.127 4.429 4.556 0.000 0.000 0.273 668 H C 1.480 176.627 175.328 -0.302 0.000 1.259 668 H CA 0.935 56.866 56.048 -0.195 0.000 1.122 668 H CB -1.573 28.114 29.762 -0.125 0.000 1.298 668 H HN 1.076 nan 8.280 nan 0.000 0.379 669 G N -1.372 107.222 108.800 -0.343 0.000 2.175 669 G HA2 -0.355 3.605 3.960 0.000 0.000 0.244 669 G HA3 -0.355 3.605 3.960 0.000 0.000 0.244 669 G C 1.082 175.891 174.900 -0.151 0.000 0.982 669 G CA 0.946 45.743 45.100 -0.505 0.000 0.641 669 G HN 0.460 nan 8.290 nan 0.000 0.527 670 T N -0.245 114.275 114.554 -0.056 0.000 2.857 670 T HA 0.131 4.481 4.350 0.000 0.000 0.266 670 T C 1.776 176.502 174.700 0.044 0.000 1.048 670 T CA 1.821 63.950 62.100 0.048 0.000 1.139 670 T CB -0.188 68.738 68.868 0.096 0.000 0.874 670 T HN 0.727 nan 8.240 nan 0.000 0.455 671 R N -2.454 118.005 120.500 -0.068 0.000 3.198 671 R HA -0.123 4.217 4.340 0.000 0.000 0.451 671 R C -0.845 175.256 176.300 -0.331 0.000 0.521 671 R CA 0.759 56.706 56.100 -0.254 0.000 1.453 671 R CB -1.391 28.617 30.300 -0.487 0.000 2.060 671 R HN 0.390 nan 8.270 nan 0.000 0.347 672 Y N 0.711 121.036 120.300 0.041 0.000 2.598 672 Y HA 0.384 4.934 4.550 0.000 0.000 0.340 672 Y C 1.115 177.030 175.900 0.025 0.000 1.038 672 Y CA -0.984 57.142 58.100 0.044 0.000 1.100 672 Y CB 0.915 39.409 38.460 0.057 0.000 1.281 672 Y HN -0.025 nan 8.280 nan 0.000 0.488 673 N N -0.063 118.753 118.700 0.193 0.000 2.207 673 N HA -0.025 4.715 4.740 0.000 0.000 0.220 673 N C 0.596 176.174 175.510 0.113 0.000 1.303 673 N CA 0.374 53.490 53.050 0.110 0.000 0.875 673 N CB 0.470 38.998 38.487 0.068 0.000 1.094 673 N HN 0.831 nan 8.380 nan 0.000 0.435 674 A N 1.104 123.974 122.820 0.083 0.000 1.897 674 A HA -0.146 4.174 4.320 0.000 0.000 0.215 674 A C 1.892 179.532 177.584 0.095 0.000 1.181 674 A CA 1.208 53.293 52.037 0.079 0.000 0.620 674 A CB -0.438 18.597 19.000 0.059 0.000 0.821 674 A HN 0.806 nan 8.150 nan 0.000 0.443 675 E N -0.685 119.574 120.200 0.099 0.000 2.065 675 E HA -0.191 4.159 4.350 0.000 0.000 0.201 675 E C 2.056 178.771 176.600 0.192 0.000 1.016 675 E CA 2.049 58.537 56.400 0.145 0.000 0.818 675 E CB -0.248 29.543 29.700 0.152 0.000 0.749 675 E HN 0.625 nan 8.360 nan 0.000 0.453 676 T N 1.174 115.794 114.554 0.111 0.000 2.904 676 T HA -0.043 4.307 4.350 0.000 0.000 0.267 676 T C 1.833 176.602 174.700 0.115 0.000 1.059 676 T CA 0.554 62.687 62.100 0.056 0.000 1.137 676 T CB -0.042 68.749 68.868 -0.128 0.000 0.879 676 T HN 0.105 nan 8.240 nan 0.000 0.467 677 L N 0.778 122.059 121.223 0.098 0.000 2.362 677 L HA 0.031 4.371 4.340 0.000 0.000 0.219 677 L C 2.503 179.455 176.870 0.137 0.000 1.134 677 L CA 1.027 55.923 54.840 0.093 0.000 0.807 677 L CB -0.478 41.636 42.059 0.091 0.000 0.927 677 L HN 0.329 nan 8.230 nan 0.000 0.447 678 E N -0.135 120.158 120.200 0.156 0.000 2.478 678 E HA -0.044 4.306 4.350 0.000 0.000 0.198 678 E C 0.106 176.819 176.600 0.187 0.000 1.046 678 E CA -0.042 56.447 56.400 0.147 0.000 0.870 678 E CB 0.443 30.218 29.700 0.124 0.000 0.818 678 E HN 0.156 nan 8.360 nan 0.000 0.527 679 V N 1.982 122.062 119.914 0.278 0.000 2.407 679 V HA 0.200 4.320 4.120 0.000 0.000 0.278 679 V C -0.240 176.108 176.094 0.424 0.000 1.037 679 V CA -0.211 62.305 62.300 0.360 0.000 0.900 679 V CB 1.415 33.575 31.823 0.562 0.000 0.983 679 V HN 0.063 nan 8.190 nan 0.000 0.459 680 E N 3.438 123.821 120.200 0.305 0.000 2.199 680 E HA 0.399 4.749 4.350 0.000 0.000 0.269 680 E C -1.644 175.012 176.600 0.094 0.000 0.899 680 E CA -0.758 55.803 56.400 0.268 0.000 0.772 680 E CB 2.750 32.541 29.700 0.152 0.000 1.155 680 E HN 0.670 nan 8.360 nan 0.000 0.408 681 Y N 2.238 122.411 120.300 -0.212 0.000 2.331 681 Y HA 0.285 4.835 4.550 0.000 0.000 0.338 681 Y C 0.248 176.121 175.900 -0.045 0.000 0.976 681 Y CA -0.907 56.974 58.100 -0.363 0.000 1.137 681 Y CB 0.844 38.753 38.460 -0.918 0.000 1.172 681 Y HN 0.639 nan 8.280 nan 0.000 0.478 682 R N 4.467 124.578 120.500 -0.649 0.000 3.405 682 R HA -0.214 4.126 4.340 0.000 0.000 0.258 682 R C 0.943 177.211 176.300 -0.053 0.000 1.030 682 R CA 1.371 57.193 56.100 -0.463 0.000 0.691 682 R CB -1.499 28.294 30.300 -0.845 0.000 1.093 682 R HN 1.514 nan 8.270 nan 0.000 0.448 683 G N -1.515 107.263 108.800 -0.036 0.000 2.176 683 G HA2 -0.352 3.608 3.960 0.000 0.000 0.253 683 G HA3 -0.352 3.608 3.960 0.000 0.000 0.253 683 G C -0.047 174.873 174.900 0.033 0.000 0.979 683 G CA 0.551 45.658 45.100 0.011 0.000 0.641 683 G HN 0.402 nan 8.290 nan 0.000 0.530 684 K N 0.545 120.994 120.400 0.082 0.000 2.443 684 K HA 0.466 4.786 4.320 0.000 0.000 0.252 684 K C -0.037 176.755 176.600 0.320 0.000 0.933 684 K CA -0.630 55.721 56.287 0.107 0.000 0.792 684 K CB 1.368 33.836 32.500 -0.052 0.000 1.185 684 K HN 0.365 nan 8.250 nan 0.000 0.425 685 N N 1.370 120.230 118.700 0.266 0.000 2.408 685 N HA 0.065 4.805 4.740 0.000 0.000 0.260 685 N C 0.814 176.421 175.510 0.161 0.000 1.242 685 N CA -0.535 52.701 53.050 0.310 0.000 0.959 685 N CB 0.468 39.054 38.487 0.164 0.000 1.201 685 N HN 0.531 nan 8.380 nan 0.000 0.511 686 I N -0.641 119.730 120.570 -0.331 0.000 2.335 686 I HA -0.206 3.964 4.170 0.000 0.000 0.251 686 I C 1.953 178.029 176.117 -0.069 0.000 1.129 686 I CA 1.647 62.589 61.300 -0.596 0.000 1.402 686 I CB -0.626 36.803 38.000 -0.951 0.000 1.069 686 I HN 0.760 nan 8.210 nan 0.000 0.424 687 A N -0.613 122.201 122.820 -0.011 0.000 1.930 687 A HA -0.123 4.197 4.320 0.000 0.000 0.215 687 A C 2.019 179.664 177.584 0.102 0.000 1.176 687 A CA 1.429 53.536 52.037 0.118 0.000 0.632 687 A CB -0.642 18.449 19.000 0.152 0.000 0.819 687 A HN 0.423 nan 8.150 nan 0.000 0.445 688 D N 0.042 120.493 120.400 0.085 0.000 2.123 688 D HA -0.127 4.513 4.640 0.000 0.000 0.196 688 D C 2.048 178.382 176.300 0.056 0.000 0.992 688 D CA 1.479 55.513 54.000 0.057 0.000 0.833 688 D CB -0.267 40.556 40.800 0.039 0.000 0.954 688 D HN 0.209 nan 8.370 nan 0.000 0.455 689 V N 1.022 121.016 119.914 0.133 0.000 2.343 689 V HA -0.193 3.927 4.120 0.000 0.000 0.247 689 V C 2.543 178.767 176.094 0.216 0.000 1.051 689 V CA 1.044 63.467 62.300 0.205 0.000 1.036 689 V CB -0.346 31.747 31.823 0.449 0.000 0.654 689 V HN 0.188 nan 8.190 nan 0.000 0.451 690 L N 0.025 121.367 121.223 0.199 0.000 2.456 690 L HA -0.014 4.326 4.340 0.000 0.000 0.224 690 L C 2.171 179.096 176.870 0.090 0.000 1.148 690 L CA 0.970 55.897 54.840 0.146 0.000 0.825 690 L CB -0.442 41.683 42.059 0.111 0.000 0.937 690 L HN 0.338 nan 8.230 nan 0.000 0.450 691 A N -0.935 121.936 122.820 0.085 0.000 2.275 691 A HA 0.210 4.530 4.320 0.000 0.000 0.212 691 A C 0.535 178.151 177.584 0.054 0.000 1.201 691 A CA -0.164 51.911 52.037 0.064 0.000 0.843 691 A CB -0.002 19.034 19.000 0.060 0.000 0.873 691 A HN 0.107 nan 8.150 nan 0.000 0.492 692 L N 1.572 122.835 121.223 0.067 0.000 2.371 692 L HA 0.268 4.608 4.340 0.000 0.000 0.272 692 L C 1.264 178.179 176.870 0.074 0.000 1.124 692 L CA 0.362 55.240 54.840 0.063 0.000 0.816 692 L CB 0.923 43.031 42.059 0.083 0.000 1.129 692 L HN 0.400 nan 8.230 nan 0.000 0.448 693 T N -0.129 114.465 114.554 0.066 0.000 2.898 693 T HA 0.185 4.535 4.350 0.000 0.000 0.301 693 T C 1.490 176.239 174.700 0.082 0.000 1.049 693 T CA -0.674 61.461 62.100 0.059 0.000 1.095 693 T CB 0.616 69.522 68.868 0.064 0.000 0.976 693 T HN 0.277 nan 8.240 nan 0.000 0.539 694 V N 1.583 121.527 119.914 0.049 0.000 2.527 694 V HA -0.177 3.943 4.120 0.000 0.000 0.255 694 V C 2.306 178.456 176.094 0.093 0.000 1.081 694 V CA 2.232 64.570 62.300 0.063 0.000 1.092 694 V CB -0.821 30.996 31.823 -0.010 0.000 0.673 694 V HN 0.879 nan 8.190 nan 0.000 0.470 695 D N -0.759 119.686 120.400 0.074 0.000 2.183 695 D HA -0.066 4.574 4.640 0.000 0.000 0.205 695 D C 2.275 178.665 176.300 0.149 0.000 0.962 695 D CA 0.823 54.871 54.000 0.079 0.000 0.849 695 D CB 0.008 40.839 40.800 0.052 0.000 0.978 695 D HN 0.541 nan 8.370 nan 0.000 0.488 696 E N 0.444 120.725 120.200 0.134 0.000 2.076 696 E HA -0.007 4.343 4.350 0.000 0.000 0.190 696 E C 2.032 178.748 176.600 0.194 0.000 0.979 696 E CA 0.742 57.223 56.400 0.135 0.000 0.807 696 E CB 0.050 29.797 29.700 0.077 0.000 0.761 696 E HN 0.135 nan 8.360 nan 0.000 0.454 697 A N 1.288 124.248 122.820 0.234 0.000 1.972 697 A HA -0.228 4.092 4.320 0.000 0.000 0.219 697 A C 1.996 179.854 177.584 0.456 0.000 1.169 697 A CA 1.376 53.636 52.037 0.371 0.000 0.635 697 A CB -0.719 18.553 19.000 0.453 0.000 0.810 697 A HN 0.339 nan 8.150 nan 0.000 0.446 698 H N 0.355 119.567 119.070 0.237 0.000 2.290 698 H HA -0.162 4.394 4.556 0.000 0.000 0.298 698 H C 1.167 176.667 175.328 0.288 0.000 1.087 698 H CA 2.058 58.210 56.048 0.174 0.000 1.291 698 H CB -0.037 29.738 29.762 0.021 0.000 1.369 698 H HN 0.422 nan 8.280 nan 0.000 0.492 699 D N -0.262 120.321 120.400 0.305 0.000 2.219 699 D HA -0.132 4.508 4.640 0.000 0.000 0.205 699 D C 1.987 178.395 176.300 0.180 0.000 0.970 699 D CA 0.573 54.708 54.000 0.224 0.000 0.851 699 D CB -0.628 40.292 40.800 0.199 0.000 0.943 699 D HN 0.388 nan 8.370 nan 0.000 0.488 700 F N -0.484 119.470 119.950 0.007 0.000 2.270 700 F HA 0.076 4.603 4.527 0.000 0.000 0.295 700 F C 1.133 176.804 175.800 -0.216 0.000 1.087 700 F CA 0.580 58.475 58.000 -0.175 0.000 1.365 700 F CB 0.176 38.965 39.000 -0.351 0.000 1.056 700 F HN -0.225 nan 8.300 nan 0.000 0.506 701 F N 0.034 120.074 119.950 0.150 0.000 2.898 701 F HA 0.322 4.849 4.527 0.000 0.000 0.290 701 F C 1.664 177.535 175.800 0.118 0.000 1.195 701 F CA -0.040 58.013 58.000 0.088 0.000 1.387 701 F CB -0.269 38.844 39.000 0.188 0.000 0.976 701 F HN 0.030 nan 8.300 nan 0.000 0.510 702 A N -0.363 122.541 122.820 0.140 0.000 2.019 702 A HA -0.151 4.169 4.320 0.000 0.000 0.219 702 A C 1.673 179.121 177.584 -0.226 0.000 1.164 702 A CA 1.586 53.585 52.037 -0.064 0.000 0.644 702 A CB -0.236 18.706 19.000 -0.098 0.000 0.805 702 A HN 0.269 nan 8.150 nan 0.000 0.449 703 D N -0.011 120.330 120.400 -0.097 0.000 2.368 703 D HA 0.094 4.734 4.640 0.000 0.000 0.218 703 D C -0.385 175.901 176.300 -0.024 0.000 1.112 703 D CA 0.179 54.123 54.000 -0.094 0.000 0.834 703 D CB 0.347 41.098 40.800 -0.082 0.000 0.953 703 D HN 0.257 nan 8.370 nan 0.000 0.505 704 E N 0.822 121.054 120.200 0.052 0.000 2.173 704 E HA 0.088 4.438 4.350 0.000 0.000 0.249 704 E C 1.122 177.770 176.600 0.081 0.000 0.923 704 E CA -0.181 56.264 56.400 0.074 0.000 0.754 704 E CB 1.522 31.308 29.700 0.144 0.000 1.177 704 E HN 0.006 nan 8.360 nan 0.000 0.430 705 S N 2.109 117.828 115.700 0.032 0.000 2.356 705 S HA -0.193 4.277 4.470 0.000 0.000 0.223 705 S C 1.941 176.607 174.600 0.110 0.000 1.032 705 S CA 1.175 59.410 58.200 0.057 0.000 1.005 705 S CB 0.008 63.212 63.200 0.007 0.000 0.867 705 S HN 0.370 nan 8.310 nan 0.000 0.449 706 A N 1.771 124.621 122.820 0.050 0.000 1.908 706 A HA 0.072 4.393 4.320 0.000 0.000 0.218 706 A C 2.281 179.881 177.584 0.026 0.000 1.181 706 A CA 1.591 53.647 52.037 0.032 0.000 0.627 706 A CB -0.858 18.139 19.000 -0.006 0.000 0.818 706 A HN 0.637 nan 8.150 nan 0.000 0.445 707 I N -2.207 118.357 120.570 -0.009 0.000 2.286 707 I HA -0.172 3.998 4.170 0.000 0.000 0.245 707 I C 2.309 178.461 176.117 0.058 0.000 1.104 707 I CA 1.237 62.497 61.300 -0.066 0.000 1.397 707 I CB -0.331 37.483 38.000 -0.311 0.000 1.072 707 I HN 0.420 nan 8.210 nan 0.000 0.417 708 F N 2.060 122.012 119.950 0.002 0.000 2.069 708 F HA -0.232 4.295 4.527 0.000 0.000 0.298 708 F C 2.716 178.558 175.800 0.070 0.000 1.113 708 F CA 1.731 59.751 58.000 0.033 0.000 1.214 708 F CB -0.189 38.803 39.000 -0.014 0.000 0.978 708 F HN -0.131 nan 8.300 nan 0.000 0.474 709 R N 0.177 120.796 120.500 0.198 0.000 2.115 709 R HA -0.041 4.299 4.340 0.000 0.000 0.230 709 R C 2.329 178.647 176.300 0.030 0.000 1.111 709 R CA 1.026 57.197 56.100 0.117 0.000 0.976 709 R CB -1.040 29.352 30.300 0.153 0.000 0.870 709 R HN 0.414 nan 8.270 nan 0.000 0.445 710 A N 1.226 124.062 122.820 0.026 0.000 1.969 710 A HA -0.071 4.249 4.320 0.000 0.000 0.218 710 A C 2.195 179.780 177.584 0.001 0.000 1.169 710 A CA 0.950 52.995 52.037 0.014 0.000 0.635 710 A CB -0.371 18.637 19.000 0.014 0.000 0.810 710 A HN 0.165 nan 8.150 nan 0.000 0.445 711 L N -0.782 120.435 121.223 -0.010 0.000 2.313 711 L HA -0.094 4.246 4.340 0.000 0.000 0.214 711 L C 1.814 178.653 176.870 -0.052 0.000 1.119 711 L CA 0.693 55.531 54.840 -0.004 0.000 0.809 711 L CB -0.444 41.650 42.059 0.058 0.000 0.933 711 L HN 0.240 nan 8.230 nan 0.000 0.449 712 D N -0.025 120.322 120.400 -0.089 0.000 2.117 712 D HA -0.169 4.471 4.640 0.000 0.000 0.197 712 D C 2.308 178.573 176.300 -0.059 0.000 0.987 712 D CA 2.063 56.005 54.000 -0.098 0.000 0.829 712 D CB -0.096 40.667 40.800 -0.062 0.000 0.961 712 D HN 0.362 nan 8.370 nan 0.000 0.460 713 T N -0.991 113.546 114.554 -0.029 0.000 2.788 713 T HA -0.120 4.230 4.350 0.000 0.000 0.268 713 T C 2.344 177.026 174.700 -0.029 0.000 1.044 713 T CA 0.797 62.886 62.100 -0.018 0.000 1.139 713 T CB -0.557 68.312 68.868 0.001 0.000 0.867 713 T HN 0.112 nan 8.240 nan 0.000 0.454 714 L N 0.093 121.295 121.223 -0.036 0.000 2.072 714 L HA 0.103 4.443 4.340 0.000 0.000 0.205 714 L C 3.276 180.106 176.870 -0.067 0.000 1.079 714 L CA 1.142 55.952 54.840 -0.050 0.000 0.752 714 L CB -0.418 41.614 42.059 -0.046 0.000 0.906 714 L HN 0.137 nan 8.230 nan 0.000 0.436 715 R N 0.084 120.533 120.500 -0.085 0.000 2.094 715 R HA -0.250 4.090 4.340 0.000 0.000 0.239 715 R C 2.243 178.503 176.300 -0.067 0.000 1.137 715 R CA 1.930 57.970 56.100 -0.101 0.000 0.943 715 R CB -0.414 29.772 30.300 -0.190 0.000 0.850 715 R HN 0.337 nan 8.270 nan 0.000 0.433 716 E N 0.245 120.410 120.200 -0.059 0.000 2.097 716 E HA -0.198 4.152 4.350 0.000 0.000 0.196 716 E C 1.680 178.262 176.600 -0.029 0.000 1.000 716 E CA 1.352 57.729 56.400 -0.038 0.000 0.804 716 E CB 0.066 29.748 29.700 -0.030 0.000 0.740 716 E HN 0.087 nan 8.360 nan 0.000 0.454 717 V N -0.665 119.229 119.914 -0.033 0.000 3.380 717 V HA 0.015 4.135 4.120 0.000 0.000 0.268 717 V C 1.288 177.372 176.094 -0.018 0.000 1.168 717 V CA 1.195 63.477 62.300 -0.030 0.000 1.156 717 V CB 0.179 31.980 31.823 -0.037 0.000 0.785 717 V HN 0.647 nan 8.190 nan 0.000 0.487 718 G N 0.012 108.806 108.800 -0.011 0.000 2.144 718 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 718 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 718 G C 0.255 175.197 174.900 0.070 0.000 0.988 718 G CA 0.098 45.218 45.100 0.033 0.000 0.659 718 G HN 0.444 nan 8.290 nan 0.000 0.522 719 L N 1.330 122.527 121.223 -0.044 0.000 3.108 719 L HA 0.418 4.758 4.340 0.000 0.000 0.251 719 L C 2.098 178.837 176.870 -0.218 0.000 1.315 719 L CA 0.222 54.922 54.840 -0.234 0.000 1.048 719 L CB 0.288 42.169 42.059 -0.296 0.000 1.432 719 L HN 0.194 nan 8.230 nan 0.000 0.543 720 G N 0.126 108.903 108.800 -0.038 0.000 2.470 720 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 720 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 720 G C 1.251 176.164 174.900 0.023 0.000 1.121 720 G CA 0.789 45.883 45.100 -0.011 0.000 0.766 720 G HN 0.658 nan 8.290 nan 0.000 0.553 721 Y N -0.273 120.020 120.300 -0.013 0.000 2.420 721 Y HA 0.438 4.988 4.550 0.000 0.000 0.292 721 Y C 1.107 176.999 175.900 -0.013 0.000 1.119 721 Y CA -0.810 57.285 58.100 -0.008 0.000 1.229 721 Y CB -0.284 38.170 38.460 -0.009 0.000 1.026 721 Y HN -0.085 nan 8.280 nan 0.000 0.554 722 L N 3.030 123.981 121.223 -0.454 0.000 2.461 722 L HA 0.186 4.526 4.340 0.000 0.000 0.272 722 L C 0.422 177.222 176.870 -0.117 0.000 1.197 722 L CA -0.056 54.602 54.840 -0.304 0.000 0.836 722 L CB 0.499 42.323 42.059 -0.392 0.000 1.105 722 L HN 0.232 nan 8.230 nan 0.000 0.477 723 R N 2.136 122.594 120.500 -0.071 0.000 2.410 723 R HA 0.153 4.494 4.340 0.000 0.000 0.288 723 R C 0.737 177.025 176.300 -0.020 0.000 1.051 723 R CA -0.889 55.200 56.100 -0.019 0.000 1.021 723 R CB 0.893 31.190 30.300 -0.005 0.000 1.032 723 R HN 0.427 nan 8.270 nan 0.000 0.481 724 L N 1.893 123.134 121.223 0.030 0.000 2.043 724 L HA -0.163 4.177 4.340 0.000 0.000 0.212 724 L C 2.110 178.976 176.870 -0.007 0.000 1.075 724 L CA 2.227 57.094 54.840 0.045 0.000 0.752 724 L CB -0.596 41.542 42.059 0.132 0.000 0.891 724 L HN 0.950 nan 8.230 nan 0.000 0.432 725 G N -2.279 106.505 108.800 -0.026 0.000 3.126 725 G HA2 -0.011 3.949 3.960 0.000 0.000 0.224 725 G HA3 -0.011 3.949 3.960 0.000 0.000 0.224 725 G C 0.620 175.442 174.900 -0.130 0.000 1.142 725 G CA -0.299 44.741 45.100 -0.100 0.000 0.759 725 G HN 0.355 nan 8.290 nan 0.000 0.550 726 Q N 1.901 121.636 119.800 -0.108 0.000 2.320 726 Q HA 0.070 4.410 4.340 0.000 0.000 0.311 726 Q C -2.025 173.842 176.000 -0.221 0.000 1.083 726 Q CA -1.289 54.419 55.803 -0.158 0.000 1.001 726 Q CB 0.525 29.181 28.738 -0.138 0.000 1.074 726 Q HN 0.074 nan 8.270 nan 0.000 0.379 727 P HA -0.111 nan 4.420 nan 0.000 0.265 727 P C -0.387 176.742 177.300 -0.286 0.000 1.187 727 P CA 0.542 63.426 63.100 -0.361 0.000 0.766 727 P CB 0.703 32.042 31.700 -0.602 0.000 0.820 728 A N 3.342 126.027 122.820 -0.225 0.000 1.978 728 A HA -0.168 4.152 4.320 0.000 0.000 0.220 728 A C 1.854 179.329 177.584 -0.183 0.000 1.170 728 A CA 2.274 54.203 52.037 -0.180 0.000 0.636 728 A CB -1.750 17.169 19.000 -0.134 0.000 0.810 728 A HN 0.641 nan 8.150 nan 0.000 0.448 729 T N -2.297 112.126 114.554 -0.219 0.000 3.113 729 T HA 0.012 4.362 4.350 0.000 0.000 0.263 729 T C 1.145 175.736 174.700 -0.180 0.000 1.143 729 T CA 1.215 63.209 62.100 -0.176 0.000 1.090 729 T CB -0.181 68.581 68.868 -0.178 0.000 0.922 729 T HN 0.636 nan 8.240 nan 0.000 0.521 730 E N 0.380 120.440 120.200 -0.233 0.000 2.479 730 E HA 0.259 4.609 4.350 0.000 0.000 0.193 730 E C -0.034 176.471 176.600 -0.157 0.000 1.049 730 E CA -0.138 56.138 56.400 -0.207 0.000 0.870 730 E CB 0.125 29.663 29.700 -0.270 0.000 0.944 730 E HN 0.562 nan 8.360 nan 0.000 0.492 731 L N 1.340 122.476 121.223 -0.145 0.000 2.325 731 L HA 0.237 4.577 4.340 0.000 0.000 0.279 731 L C 0.659 177.472 176.870 -0.094 0.000 1.054 731 L CA -0.819 53.950 54.840 -0.119 0.000 0.804 731 L CB 1.461 43.438 42.059 -0.137 0.000 1.200 731 L HN -0.022 nan 8.230 nan 0.000 0.436 732 S N 0.676 116.336 115.700 -0.066 0.000 2.614 732 S HA 0.204 4.674 4.470 0.000 0.000 0.265 732 S C 1.185 175.751 174.600 -0.058 0.000 1.303 732 S CA -0.189 57.978 58.200 -0.054 0.000 1.000 732 S CB 1.426 64.617 63.200 -0.017 0.000 0.935 732 S HN 0.791 nan 8.310 nan 0.000 0.551 733 G N 0.609 109.378 108.800 -0.051 0.000 2.432 733 G HA2 0.042 4.002 3.960 0.000 0.000 0.219 733 G HA3 0.042 4.002 3.960 0.000 0.000 0.219 733 G C 1.302 176.177 174.900 -0.041 0.000 1.135 733 G CA 0.459 45.529 45.100 -0.049 0.000 0.767 733 G HN 0.985 nan 8.290 nan 0.000 0.550 734 G N 0.540 109.325 108.800 -0.026 0.000 2.422 734 G HA2 -0.133 3.827 3.960 0.000 0.000 0.218 734 G HA3 -0.133 3.827 3.960 0.000 0.000 0.218 734 G C 1.603 176.485 174.900 -0.030 0.000 1.146 734 G CA 1.097 46.184 45.100 -0.022 0.000 0.769 734 G HN 0.524 nan 8.290 nan 0.000 0.547 735 E N 0.285 120.464 120.200 -0.034 0.000 2.046 735 E HA 0.098 4.448 4.350 0.000 0.000 0.190 735 E C 2.935 179.474 176.600 -0.102 0.000 0.982 735 E CA 0.653 57.017 56.400 -0.060 0.000 0.800 735 E CB -0.151 29.511 29.700 -0.064 0.000 0.756 735 E HN 0.371 nan 8.360 nan 0.000 0.449 736 A N 1.161 123.912 122.820 -0.115 0.000 1.933 736 A HA -0.272 4.048 4.320 0.000 0.000 0.218 736 A C 2.096 179.595 177.584 -0.141 0.000 1.175 736 A CA 1.619 53.559 52.037 -0.161 0.000 0.628 736 A CB -0.502 18.402 19.000 -0.160 0.000 0.814 736 A HN 0.230 nan 8.150 nan 0.000 0.444 737 Q N -0.583 119.164 119.800 -0.088 0.000 2.224 737 Q HA -0.126 4.214 4.340 0.000 0.000 0.203 737 Q C 2.093 178.061 176.000 -0.052 0.000 0.970 737 Q CA 1.284 57.053 55.803 -0.058 0.000 0.865 737 Q CB -0.040 28.676 28.738 -0.037 0.000 0.922 737 Q HN 0.676 nan 8.270 nan 0.000 0.445 738 R N -0.418 120.045 120.500 -0.062 0.000 2.161 738 R HA 0.067 4.407 4.340 0.000 0.000 0.213 738 R C 2.126 178.393 176.300 -0.056 0.000 1.055 738 R CA 0.706 56.774 56.100 -0.054 0.000 0.996 738 R CB 0.083 30.353 30.300 -0.050 0.000 0.901 738 R HN 0.325 nan 8.270 nan 0.000 0.456 739 I N 0.889 121.406 120.570 -0.088 0.000 2.286 739 I HA -0.237 3.933 4.170 0.000 0.000 0.245 739 I C 1.941 178.048 176.117 -0.016 0.000 1.104 739 I CA 1.350 62.600 61.300 -0.084 0.000 1.397 739 I CB -0.099 37.794 38.000 -0.179 0.000 1.072 739 I HN 0.043 nan 8.210 nan 0.000 0.417 740 K N 0.455 120.827 120.400 -0.047 0.000 2.057 740 K HA -0.200 4.120 4.320 0.000 0.000 0.207 740 K C 2.060 178.714 176.600 0.089 0.000 1.049 740 K CA 1.333 57.663 56.287 0.071 0.000 0.931 740 K CB -0.253 32.264 32.500 0.028 0.000 0.714 740 K HN 0.129 nan 8.250 nan 0.000 0.440 741 L N 0.786 122.028 121.223 0.033 0.000 2.056 741 L HA -0.047 4.293 4.340 0.000 0.000 0.207 741 L C 2.143 179.023 176.870 0.015 0.000 1.078 741 L CA 1.641 56.491 54.840 0.016 0.000 0.749 741 L CB -0.580 41.463 42.059 -0.028 0.000 0.901 741 L HN 0.117 nan 8.230 nan 0.000 0.433 742 A N -1.534 121.294 122.820 0.013 0.000 1.978 742 A HA -0.212 4.109 4.320 0.000 0.000 0.220 742 A C 2.211 179.822 177.584 0.045 0.000 1.170 742 A CA 2.193 54.240 52.037 0.016 0.000 0.636 742 A CB -1.194 17.810 19.000 0.007 0.000 0.810 742 A HN 0.513 nan 8.150 nan 0.000 0.448 743 T N -0.333 114.271 114.554 0.084 0.000 3.051 743 T HA -0.027 4.323 4.350 0.000 0.000 0.269 743 T C 1.326 176.077 174.700 0.085 0.000 1.127 743 T CA 1.225 63.385 62.100 0.101 0.000 1.107 743 T CB -0.064 68.914 68.868 0.183 0.000 0.898 743 T HN 0.400 nan 8.240 nan 0.000 0.517 744 E N 0.209 120.463 120.200 0.089 0.000 2.498 744 E HA 0.277 4.627 4.350 0.000 0.000 0.203 744 E C 1.834 178.482 176.600 0.081 0.000 1.013 744 E CA -0.076 56.395 56.400 0.118 0.000 0.927 744 E CB 0.150 29.970 29.700 0.199 0.000 1.012 744 E HN 0.452 nan 8.360 nan 0.000 0.482 745 L N 0.883 122.130 121.223 0.039 0.000 2.023 745 L HA -0.099 4.241 4.340 0.000 0.000 0.205 745 L C 2.368 179.254 176.870 0.028 0.000 1.073 745 L CA 1.255 56.104 54.840 0.014 0.000 0.745 745 L CB -0.258 41.800 42.059 -0.001 0.000 0.900 745 L HN 0.084 nan 8.230 nan 0.000 0.435 746 R N 0.068 120.588 120.500 0.034 0.000 2.307 746 R HA -0.039 4.301 4.340 0.000 0.000 0.199 746 R C 1.769 178.094 176.300 0.042 0.000 1.000 746 R CA 0.427 56.549 56.100 0.036 0.000 1.023 746 R CB -0.280 30.040 30.300 0.034 0.000 0.908 746 R HN 0.266 nan 8.270 nan 0.000 0.473 747 R N 1.105 121.638 120.500 0.054 0.000 2.246 747 R HA 0.038 4.378 4.340 0.000 0.000 0.199 747 R C 2.140 178.488 176.300 0.080 0.000 0.984 747 R CA 1.068 57.203 56.100 0.058 0.000 1.015 747 R CB -0.206 30.130 30.300 0.059 0.000 0.930 747 R HN 0.349 nan 8.270 nan 0.000 0.475 748 S N -0.267 115.493 115.700 0.101 0.000 2.461 748 S HA 0.012 4.482 4.470 0.000 0.000 0.228 748 S C 2.123 176.776 174.600 0.087 0.000 1.005 748 S CA 0.547 58.830 58.200 0.139 0.000 0.942 748 S CB -0.406 62.872 63.200 0.130 0.000 0.776 748 S HN 0.365 nan 8.310 nan 0.000 0.514 749 G N 1.972 110.806 108.800 0.057 0.000 2.499 749 G HA2 -0.194 3.766 3.960 0.000 0.000 0.221 749 G HA3 -0.194 3.766 3.960 0.000 0.000 0.221 749 G C 1.649 176.573 174.900 0.039 0.000 1.109 749 G CA 0.479 45.604 45.100 0.042 0.000 0.749 749 G HN 0.599 nan 8.290 nan 0.000 0.568 750 R N -0.035 120.490 120.500 0.043 0.000 2.240 750 R HA 0.266 4.606 4.340 0.000 0.000 0.203 750 R C 1.528 177.847 176.300 0.032 0.000 1.011 750 R CA 0.298 56.417 56.100 0.032 0.000 1.007 750 R CB -0.188 30.128 30.300 0.026 0.000 0.911 750 R HN 0.403 nan 8.270 nan 0.000 0.468 751 G N -0.487 108.340 108.800 0.046 0.000 2.888 751 G HA2 -0.090 3.870 3.960 0.000 0.000 0.441 751 G HA3 -0.090 3.870 3.960 0.000 0.000 0.441 751 G C 0.551 175.467 174.900 0.027 0.000 1.461 751 G CA -0.139 44.987 45.100 0.044 0.000 0.897 751 G HN 0.506 nan 8.290 nan 0.000 0.547 752 G N -2.292 106.519 108.800 0.017 0.000 2.176 752 G HA2 0.072 4.032 3.960 0.000 0.000 0.253 752 G HA3 0.072 4.032 3.960 0.000 0.000 0.253 752 G C 0.429 175.308 174.900 -0.036 0.000 0.979 752 G CA 1.234 46.331 45.100 -0.005 0.000 0.641 752 G HN 2.010 nan 8.290 nan 0.000 0.530 753 T N 0.461 114.983 114.554 -0.052 0.000 2.767 753 T HA 0.530 4.880 4.350 0.000 0.000 0.284 753 T C 0.060 174.624 174.700 -0.226 0.000 0.973 753 T CA 0.036 62.015 62.100 -0.201 0.000 0.996 753 T CB 2.535 71.180 68.868 -0.373 0.000 0.927 753 T HN 0.884 nan 8.240 nan 0.000 0.456 754 V N 5.803 125.567 119.914 -0.249 0.000 2.368 754 V HA 0.406 4.526 4.120 0.000 0.000 0.266 754 V C -1.379 174.560 176.094 -0.258 0.000 1.045 754 V CA -0.517 61.677 62.300 -0.177 0.000 0.899 754 V CB -0.338 31.403 31.823 -0.137 0.000 1.006 754 V HN 0.810 nan 8.190 nan 0.000 0.470 755 Y N 5.299 125.570 120.300 -0.048 0.000 2.367 755 Y HA 0.510 5.060 4.550 0.000 0.000 0.342 755 Y C 0.276 176.147 175.900 -0.049 0.000 0.979 755 Y CA -0.357 57.720 58.100 -0.038 0.000 1.161 755 Y CB 1.879 40.323 38.460 -0.028 0.000 1.155 755 Y HN 0.573 nan 8.280 nan 0.000 0.503 756 V N 5.804 125.758 119.914 0.066 0.000 2.398 756 V HA 0.657 4.777 4.120 0.000 0.000 0.286 756 V C -1.442 174.679 176.094 0.046 0.000 1.026 756 V CA -0.674 61.641 62.300 0.025 0.000 0.868 756 V CB 1.064 32.862 31.823 -0.041 0.000 0.982 756 V HN 0.553 nan 8.190 nan 0.000 0.443 757 L N 5.520 126.767 121.223 0.040 0.000 2.349 757 L HA 0.609 4.949 4.340 0.000 0.000 0.278 757 L C -0.464 176.423 176.870 0.028 0.000 0.996 757 L CA -0.084 54.777 54.840 0.036 0.000 0.825 757 L CB 1.495 43.571 42.059 0.029 0.000 1.243 757 L HN 0.842 nan 8.230 nan 0.000 0.412 758 D N 3.471 123.887 120.400 0.028 0.000 2.274 758 D HA 0.194 4.834 4.640 0.000 0.000 0.239 758 D C 0.014 176.338 176.300 0.040 0.000 1.104 758 D CA -0.021 54.000 54.000 0.036 0.000 0.840 758 D CB 0.848 41.670 40.800 0.036 0.000 1.100 758 D HN 0.377 nan 8.370 nan 0.000 0.477 759 E N 3.417 123.651 120.200 0.057 0.000 2.160 759 E HA -0.168 4.182 4.350 0.000 0.000 0.180 759 E C -1.627 174.991 176.600 0.030 0.000 1.452 759 E CA 0.166 56.606 56.400 0.067 0.000 0.683 759 E CB -0.441 29.317 29.700 0.097 0.000 1.072 759 E HN 0.568 nan 8.360 nan 0.000 0.332 760 P HA -0.112 nan 4.420 nan 0.000 0.228 760 P C 1.240 178.528 177.300 -0.020 0.000 1.151 760 P CA 0.961 64.058 63.100 -0.005 0.000 0.770 760 P CB 0.216 31.910 31.700 -0.010 0.000 0.786 761 T N -1.349 113.195 114.554 -0.016 0.000 3.067 761 T HA -0.004 4.346 4.350 0.000 0.000 0.261 761 T C 0.795 175.466 174.700 -0.049 0.000 1.110 761 T CA 0.483 62.558 62.100 -0.041 0.000 1.113 761 T CB -0.660 68.187 68.868 -0.035 0.000 0.917 761 T HN 0.116 nan 8.240 nan 0.000 0.499 762 T N -0.119 114.424 114.554 -0.018 0.000 2.851 762 T HA 0.443 4.793 4.350 0.000 0.000 0.298 762 T C 1.135 175.830 174.700 -0.009 0.000 0.977 762 T CA 0.729 62.828 62.100 -0.002 0.000 1.126 762 T CB 0.162 69.037 68.868 0.011 0.000 0.916 762 T HN 0.512 nan 8.240 nan 0.000 0.529 763 G N 3.070 111.885 108.800 0.024 0.000 2.141 763 G HA2 -0.123 3.837 3.960 0.000 0.000 0.231 763 G HA3 -0.123 3.837 3.960 0.000 0.000 0.231 763 G C -0.425 174.368 174.900 -0.178 0.000 0.984 763 G CA -0.012 45.110 45.100 0.037 0.000 0.660 763 G HN 0.830 nan 8.290 nan 0.000 0.525 764 L N 0.300 121.233 121.223 -0.483 0.000 2.439 764 L HA 0.550 4.890 4.340 0.000 0.000 0.270 764 L C 0.250 176.718 176.870 -0.668 0.000 0.972 764 L CA -1.504 53.048 54.840 -0.479 0.000 0.836 764 L CB 1.540 43.475 42.059 -0.206 0.000 1.255 764 L HN 0.367 nan 8.230 nan 0.000 0.404 765 H N 5.290 123.982 119.070 -0.630 0.000 2.871 765 H HA 0.098 4.654 4.556 0.000 0.000 0.355 765 H C -1.594 173.548 175.328 -0.311 0.000 1.092 765 H CA -0.275 55.572 56.048 -0.335 0.000 1.420 765 H CB 1.126 30.819 29.762 -0.115 0.000 1.400 765 H HN 0.454 nan 8.280 nan 0.000 0.604 766 P HA -0.286 nan 4.420 nan 0.000 0.218 766 P C 0.701 177.746 177.300 -0.425 0.000 1.152 766 P CA 2.452 65.189 63.100 -0.605 0.000 0.857 766 P CB -0.006 30.951 31.700 -1.238 0.000 0.787 767 A N -0.819 121.984 122.820 -0.028 0.000 1.968 767 A HA -0.159 4.161 4.320 0.000 0.000 0.217 767 A C 1.945 179.559 177.584 0.051 0.000 1.169 767 A CA 1.609 53.728 52.037 0.137 0.000 0.638 767 A CB -1.016 18.076 19.000 0.152 0.000 0.812 767 A HN 0.093 nan 8.150 nan 0.000 0.446 768 D N -0.278 120.132 120.400 0.017 0.000 2.149 768 D HA -0.106 4.534 4.640 0.000 0.000 0.201 768 D C 2.124 178.407 176.300 -0.028 0.000 0.972 768 D CA 1.663 55.654 54.000 -0.015 0.000 0.835 768 D CB -0.290 40.487 40.800 -0.039 0.000 0.966 768 D HN 0.412 nan 8.370 nan 0.000 0.476 769 V N -0.205 119.677 119.914 -0.054 0.000 2.871 769 V HA -0.077 4.043 4.120 0.000 0.000 0.256 769 V C 1.941 178.029 176.094 -0.009 0.000 1.082 769 V CA 1.440 63.712 62.300 -0.047 0.000 1.105 769 V CB -0.156 31.625 31.823 -0.071 0.000 0.713 769 V HN 0.016 nan 8.190 nan 0.000 0.473 770 E N 0.666 120.880 120.200 0.024 0.000 2.051 770 E HA -0.280 4.070 4.350 0.000 0.000 0.192 770 E C 2.445 179.070 176.600 0.042 0.000 0.991 770 E CA 1.665 58.106 56.400 0.068 0.000 0.799 770 E CB -0.194 29.593 29.700 0.145 0.000 0.748 770 E HN 0.679 nan 8.360 nan 0.000 0.449 771 R N 0.711 121.229 120.500 0.029 0.000 2.070 771 R HA -0.140 4.200 4.340 0.000 0.000 0.233 771 R C 2.600 178.898 176.300 -0.003 0.000 1.137 771 R CA 1.168 57.276 56.100 0.014 0.000 0.945 771 R CB -0.502 29.805 30.300 0.011 0.000 0.845 771 R HN 0.285 nan 8.270 nan 0.000 0.430 772 L N 1.379 122.594 121.223 -0.013 0.000 2.013 772 L HA -0.241 4.099 4.340 0.000 0.000 0.212 772 L C 1.969 178.818 176.870 -0.035 0.000 1.073 772 L CA 1.950 56.772 54.840 -0.029 0.000 0.753 772 L CB -0.673 41.365 42.059 -0.034 0.000 0.890 772 L HN 0.427 nan 8.230 nan 0.000 0.432 773 Q N -0.686 119.099 119.800 -0.024 0.000 2.291 773 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 773 Q C 1.928 177.908 176.000 -0.034 0.000 0.976 773 Q CA 1.018 56.804 55.803 -0.029 0.000 0.875 773 Q CB -0.081 28.651 28.738 -0.009 0.000 0.927 773 Q HN 0.449 nan 8.270 nan 0.000 0.450 774 R N -0.048 120.442 120.500 -0.017 0.000 2.328 774 R HA -0.035 4.305 4.340 0.000 0.000 0.200 774 R C 1.062 177.344 176.300 -0.030 0.000 0.983 774 R CA 0.397 56.489 56.100 -0.013 0.000 1.062 774 R CB 0.398 30.702 30.300 0.007 0.000 0.956 774 R HN 0.233 nan 8.270 nan 0.000 0.479 775 Q N -0.861 118.909 119.800 -0.050 0.000 2.431 775 Q HA 0.125 4.465 4.340 0.000 0.000 0.244 775 Q C 1.914 177.852 176.000 -0.104 0.000 0.880 775 Q CA 0.372 56.134 55.803 -0.068 0.000 0.954 775 Q CB 0.433 29.130 28.738 -0.069 0.000 1.105 775 Q HN 0.286 nan 8.270 nan 0.000 0.558 776 L N -0.076 121.083 121.223 -0.107 0.000 2.131 776 L HA -0.048 4.292 4.340 0.000 0.000 0.206 776 L C 2.260 179.051 176.870 -0.131 0.000 1.087 776 L CA 0.600 55.361 54.840 -0.131 0.000 0.767 776 L CB -0.429 41.567 42.059 -0.105 0.000 0.917 776 L HN -0.024 nan 8.230 nan 0.000 0.441 777 V N 0.288 120.122 119.914 -0.134 0.000 2.287 777 V HA -0.301 3.819 4.120 0.000 0.000 0.248 777 V C 2.562 178.584 176.094 -0.120 0.000 1.053 777 V CA 1.780 63.967 62.300 -0.190 0.000 1.027 777 V CB -0.485 31.212 31.823 -0.211 0.000 0.646 777 V HN 0.415 nan 8.190 nan 0.000 0.447 778 K N -0.061 120.294 120.400 -0.074 0.000 2.097 778 K HA -0.127 4.193 4.320 0.000 0.000 0.206 778 K C 2.149 178.721 176.600 -0.047 0.000 1.049 778 K CA 1.733 57.996 56.287 -0.039 0.000 0.933 778 K CB -0.327 32.156 32.500 -0.028 0.000 0.717 778 K HN 0.554 nan 8.250 nan 0.000 0.442 779 L N -0.775 120.397 121.223 -0.086 0.000 2.240 779 L HA -0.029 4.311 4.340 0.000 0.000 0.211 779 L C 1.802 178.645 176.870 -0.045 0.000 1.106 779 L CA 0.973 55.760 54.840 -0.090 0.000 0.793 779 L CB -0.304 41.623 42.059 -0.220 0.000 0.927 779 L HN -0.156 nan 8.230 nan 0.000 0.446 780 V N 0.990 120.867 119.914 -0.061 0.000 2.809 780 V HA -0.153 3.967 4.120 0.000 0.000 0.256 780 V C 2.008 178.093 176.094 -0.015 0.000 1.080 780 V CA 1.531 63.809 62.300 -0.036 0.000 1.102 780 V CB -0.627 31.156 31.823 -0.066 0.000 0.705 780 V HN 0.430 nan 8.190 nan 0.000 0.475 781 D N 1.073 121.466 120.400 -0.011 0.000 2.183 781 D HA -0.032 4.608 4.640 0.000 0.000 0.203 781 D C 2.088 178.401 176.300 0.023 0.000 0.969 781 D CA 1.386 55.399 54.000 0.022 0.000 0.842 781 D CB -0.130 40.692 40.800 0.037 0.000 0.957 781 D HN 0.451 nan 8.370 nan 0.000 0.484 782 A N -0.165 122.666 122.820 0.019 0.000 2.239 782 A HA 0.350 4.670 4.320 0.000 0.000 0.209 782 A C 1.697 179.301 177.584 0.032 0.000 1.171 782 A CA 1.106 53.160 52.037 0.028 0.000 0.768 782 A CB -0.428 18.593 19.000 0.034 0.000 0.790 782 A HN 0.255 nan 8.150 nan 0.000 0.478 783 G N -0.918 107.897 108.800 0.026 0.000 2.132 783 G HA2 -0.221 3.739 3.960 0.000 0.000 0.234 783 G HA3 -0.221 3.739 3.960 0.000 0.000 0.234 783 G C -0.045 174.872 174.900 0.028 0.000 0.989 783 G CA 0.088 45.199 45.100 0.020 0.000 0.676 783 G HN 0.507 nan 8.290 nan 0.000 0.522 784 N N 0.052 118.785 118.700 0.054 0.000 2.434 784 N HA 0.606 5.346 4.740 0.000 0.000 0.266 784 N C 0.160 175.713 175.510 0.071 0.000 1.223 784 N CA 0.701 53.813 53.050 0.103 0.000 0.972 784 N CB 1.372 40.001 38.487 0.236 0.000 1.207 784 N HN 0.412 nan 8.380 nan 0.000 0.525 785 T N -1.903 112.708 114.554 0.096 0.000 2.824 785 T HA 0.469 4.819 4.350 0.000 0.000 0.282 785 T C -0.839 173.931 174.700 0.116 0.000 0.993 785 T CA -0.761 61.367 62.100 0.048 0.000 0.967 785 T CB 0.797 69.647 68.868 -0.029 0.000 0.960 785 T HN 0.218 nan 8.240 nan 0.000 0.441 786 V N 6.057 126.014 119.914 0.071 0.000 2.555 786 V HA 0.778 4.898 4.120 0.000 0.000 0.302 786 V C -1.121 175.002 176.094 0.048 0.000 1.038 786 V CA -1.012 61.337 62.300 0.082 0.000 0.887 786 V CB 1.157 33.005 31.823 0.042 0.000 0.991 786 V HN 0.972 nan 8.190 nan 0.000 0.434 787 I N 6.708 127.302 120.570 0.040 0.000 2.439 787 I HA 0.697 4.867 4.170 0.000 0.000 0.283 787 I C 0.124 176.264 176.117 0.038 0.000 1.023 787 I CA -0.614 60.708 61.300 0.036 0.000 1.100 787 I CB 1.681 39.646 38.000 -0.058 0.000 1.238 787 I HN 0.800 nan 8.210 nan 0.000 0.445 788 A N 5.963 128.816 122.820 0.056 0.000 2.288 788 A HA 0.629 4.949 4.320 0.000 0.000 0.320 788 A C -0.398 177.210 177.584 0.040 0.000 1.217 788 A CA -0.606 51.455 52.037 0.040 0.000 0.840 788 A CB 1.523 20.541 19.000 0.029 0.000 1.179 788 A HN 0.600 nan 8.150 nan 0.000 0.504 789 V N 1.789 121.719 119.914 0.026 0.000 2.488 789 V HA 0.661 4.781 4.120 0.000 0.000 0.277 789 V C -0.390 175.690 176.094 -0.025 0.000 1.046 789 V CA 0.230 62.529 62.300 -0.002 0.000 0.986 789 V CB 0.860 32.686 31.823 0.005 0.000 0.989 789 V HN 0.964 nan 8.190 nan 0.000 0.475 790 E N 3.368 123.509 120.200 -0.098 0.000 2.304 790 E HA 0.457 4.807 4.350 0.000 0.000 0.277 790 E C -0.596 175.899 176.600 -0.174 0.000 0.898 790 E CA -0.416 55.942 56.400 -0.071 0.000 0.764 790 E CB 1.760 31.447 29.700 -0.021 0.000 1.216 790 E HN 0.840 nan 8.360 nan 0.000 0.419 791 H N 1.383 120.449 119.070 -0.008 0.000 2.639 791 H HA 0.323 4.879 4.556 0.000 0.000 0.267 791 H C -0.211 175.048 175.328 -0.115 0.000 0.958 791 H CA 0.118 56.148 56.048 -0.031 0.000 1.221 791 H CB 0.620 30.374 29.762 -0.014 0.000 1.446 791 H HN 0.030 nan 8.280 nan 0.000 0.512 792 K N 0.577 120.990 120.400 0.023 0.000 2.130 792 K HA 0.170 4.490 4.320 0.000 0.000 0.268 792 K C 0.378 176.949 176.600 -0.048 0.000 0.983 792 K CA -0.348 55.917 56.287 -0.037 0.000 0.893 792 K CB 1.587 34.072 32.500 -0.025 0.000 1.066 792 K HN 0.087 nan 8.250 nan 0.000 0.450 793 M N 1.367 120.931 119.600 -0.060 0.000 2.506 793 M HA -0.028 4.452 4.480 0.000 0.000 0.260 793 M C 1.944 178.241 176.300 -0.005 0.000 1.104 793 M CA 1.041 56.322 55.300 -0.032 0.000 1.112 793 M CB 0.002 32.589 32.600 -0.021 0.000 1.401 793 M HN 0.621 nan 8.290 nan 0.000 0.473 794 Q N -0.377 119.417 119.800 -0.009 0.000 2.061 794 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 794 Q C 1.927 177.933 176.000 0.010 0.000 0.984 794 Q CA 2.267 58.074 55.803 0.007 0.000 0.846 794 Q CB -0.091 28.637 28.738 -0.016 0.000 0.902 794 Q HN 0.511 nan 8.270 nan 0.000 0.421 795 V N -2.300 117.613 119.914 -0.003 0.000 2.649 795 V HA -0.042 4.078 4.120 0.000 0.000 0.248 795 V C 1.975 178.073 176.094 0.006 0.000 1.054 795 V CA 1.106 63.406 62.300 0.001 0.000 1.073 795 V CB 0.006 31.825 31.823 -0.007 0.000 0.699 795 V HN 0.206 nan 8.190 nan 0.000 0.463 796 V N 1.486 121.400 119.914 0.001 0.000 2.427 796 V HA -0.058 4.062 4.120 0.000 0.000 0.248 796 V C 3.018 179.118 176.094 0.009 0.000 1.051 796 V CA 2.007 64.308 62.300 0.002 0.000 1.048 796 V CB -1.157 30.660 31.823 -0.010 0.000 0.666 796 V HN 0.669 nan 8.190 nan 0.000 0.456 797 A N -0.686 122.143 122.820 0.014 0.000 2.239 797 A HA 0.342 4.662 4.320 0.000 0.000 0.209 797 A C 1.884 179.486 177.584 0.030 0.000 1.171 797 A CA 1.269 53.320 52.037 0.022 0.000 0.768 797 A CB -0.289 18.731 19.000 0.032 0.000 0.790 797 A HN 0.577 nan 8.150 nan 0.000 0.478 798 A N -1.002 121.836 122.820 0.029 0.000 2.508 798 A HA 0.494 4.814 4.320 0.000 0.000 0.250 798 A C 0.746 178.348 177.584 0.030 0.000 1.208 798 A CA 0.033 52.090 52.037 0.033 0.000 0.960 798 A CB 0.058 19.078 19.000 0.033 0.000 1.099 798 A HN 0.223 nan 8.150 nan 0.000 0.542 799 S N 1.298 117.018 115.700 0.034 0.000 2.576 799 S HA 0.119 4.589 4.470 0.000 0.000 0.276 799 S C 0.318 174.966 174.600 0.080 0.000 1.339 799 S CA -0.294 57.937 58.200 0.051 0.000 1.039 799 S CB 0.727 63.961 63.200 0.057 0.000 0.902 799 S HN 0.430 nan 8.310 nan 0.000 0.516 800 D N 0.293 120.760 120.400 0.111 0.000 2.277 800 D HA -0.007 4.633 4.640 0.000 0.000 0.208 800 D C 0.084 176.566 176.300 0.304 0.000 0.962 800 D CA 0.813 54.911 54.000 0.163 0.000 0.865 800 D CB 0.333 41.209 40.800 0.127 0.000 0.939 800 D HN 0.550 nan 8.370 nan 0.000 0.510 801 W N 0.669 121.978 121.300 0.015 0.000 3.127 801 W HA 0.389 5.049 4.660 0.000 0.000 0.330 801 W C -1.976 174.564 176.519 0.034 0.000 1.187 801 W CA -0.568 56.797 57.345 0.033 0.000 1.198 801 W CB 1.915 31.383 29.460 0.014 0.000 1.408 801 W HN -0.513 nan 8.180 nan 0.000 0.529 802 V N 5.214 124.884 119.914 -0.406 0.000 2.760 802 V HA 0.429 4.549 4.120 0.000 0.000 0.309 802 V C -0.793 175.135 176.094 -0.277 0.000 1.077 802 V CA -0.794 61.372 62.300 -0.224 0.000 0.910 802 V CB 2.043 33.766 31.823 -0.166 0.000 1.008 802 V HN 0.352 nan 8.190 nan 0.000 0.424 803 L N 3.496 124.665 121.223 -0.089 0.000 2.318 803 L HA 0.510 4.850 4.340 0.000 0.000 0.277 803 L C -0.447 176.393 176.870 -0.050 0.000 1.008 803 L CA -0.057 54.741 54.840 -0.070 0.000 0.846 803 L CB 1.450 43.495 42.059 -0.024 0.000 1.220 803 L HN 0.658 nan 8.230 nan 0.000 0.423 804 D N 3.393 123.756 120.400 -0.062 0.000 2.277 804 D HA 0.386 5.026 4.640 0.000 0.000 0.249 804 D C -0.640 175.634 176.300 -0.042 0.000 1.134 804 D CA -0.177 53.799 54.000 -0.040 0.000 0.863 804 D CB 1.103 41.884 40.800 -0.032 0.000 1.143 804 D HN 0.377 nan 8.370 nan 0.000 0.458 805 I N 2.123 122.668 120.570 -0.042 0.000 2.441 805 I HA 0.687 4.857 4.170 0.000 0.000 0.295 805 I C 0.243 176.326 176.117 -0.056 0.000 0.994 805 I CA 0.068 61.342 61.300 -0.043 0.000 1.144 805 I CB 1.315 39.297 38.000 -0.030 0.000 1.314 805 I HN 0.568 nan 8.210 nan 0.000 0.445 806 G N 6.558 115.329 108.800 -0.048 0.000 3.350 806 G HA2 -0.166 3.794 3.960 0.000 0.000 0.646 806 G HA3 -0.166 3.794 3.960 0.000 0.000 0.646 806 G C -2.290 172.572 174.900 -0.063 0.000 0.929 806 G CA -0.320 44.750 45.100 -0.051 0.000 1.073 806 G HN 0.598 nan 8.290 nan 0.000 0.543 807 P HA -0.060 nan 4.420 nan 0.000 0.210 807 P C 1.755 179.011 177.300 -0.073 0.000 1.185 807 P CA 2.423 65.492 63.100 -0.052 0.000 0.924 807 P CB 0.001 31.680 31.700 -0.034 0.000 0.786 808 G N -1.879 106.882 108.800 -0.064 0.000 2.940 808 G HA2 0.616 4.576 3.960 0.000 0.000 0.164 808 G HA3 0.616 4.576 3.960 0.000 0.000 0.164 808 G C -1.167 173.674 174.900 -0.099 0.000 1.326 808 G CA 0.012 45.067 45.100 -0.075 0.000 1.020 808 G HN 0.336 nan 8.290 nan 0.000 0.586 809 A N -1.941 120.823 122.820 -0.093 0.000 2.350 809 A HA 0.781 5.101 4.320 0.000 0.000 0.324 809 A C 0.814 178.365 177.584 -0.054 0.000 1.118 809 A CA 0.739 52.680 52.037 -0.160 0.000 0.783 809 A CB 0.752 19.587 19.000 -0.274 0.000 1.236 809 A HN 2.523 nan 8.150 nan 0.000 0.457 810 G N 1.082 109.850 108.800 -0.054 0.000 2.543 810 G HA2 -0.270 3.691 3.960 0.000 0.000 0.286 810 G HA3 -0.270 3.691 3.960 0.000 0.000 0.286 810 G C 0.805 175.720 174.900 0.026 0.000 1.153 810 G CA 0.506 45.636 45.100 0.049 0.000 0.968 810 G HN 0.720 nan 8.290 nan 0.000 0.544 811 E N 1.265 121.488 120.200 0.037 0.000 2.338 811 E HA -0.013 4.337 4.350 0.000 0.000 0.197 811 E C 1.933 178.538 176.600 0.009 0.000 1.007 811 E CA 1.366 57.779 56.400 0.022 0.000 0.849 811 E CB -0.178 29.538 29.700 0.026 0.000 0.774 811 E HN 0.528 nan 8.360 nan 0.000 0.506 812 D N -0.516 119.886 120.400 0.003 0.000 2.271 812 D HA 0.019 4.659 4.640 0.000 0.000 0.206 812 D C 1.204 177.490 176.300 -0.024 0.000 0.967 812 D CA 0.556 54.551 54.000 -0.009 0.000 0.867 812 D CB -0.059 40.736 40.800 -0.009 0.000 0.960 812 D HN 0.088 nan 8.370 nan 0.000 0.509 813 G N -0.641 108.139 108.800 -0.034 0.000 2.624 813 G HA2 0.363 4.323 3.960 0.000 0.000 0.217 813 G HA3 0.363 4.323 3.960 0.000 0.000 0.217 813 G C 1.023 175.904 174.900 -0.031 0.000 1.506 813 G CA 0.383 45.454 45.100 -0.049 0.000 1.072 813 G HN 0.294 nan 8.290 nan 0.000 0.568 814 G N -1.825 106.955 108.800 -0.032 0.000 2.179 814 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 814 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 814 G C 0.694 175.586 174.900 -0.013 0.000 0.977 814 G CA 0.781 45.871 45.100 -0.016 0.000 0.641 814 G HN 0.683 nan 8.290 nan 0.000 0.533 815 R N -0.797 119.691 120.500 -0.020 0.000 2.674 815 R HA 0.670 5.010 4.340 0.000 0.000 0.266 815 R C -0.233 176.053 176.300 -0.023 0.000 1.016 815 R CA -0.890 55.199 56.100 -0.019 0.000 1.062 815 R CB 1.280 31.568 30.300 -0.019 0.000 1.142 815 R HN 0.188 nan 8.270 nan 0.000 0.517 816 L N 2.913 124.122 121.223 -0.022 0.000 2.288 816 L HA 0.116 4.456 4.340 0.000 0.000 0.283 816 L C 0.981 177.833 176.870 -0.031 0.000 1.072 816 L CA -0.341 54.482 54.840 -0.029 0.000 0.862 816 L CB 1.027 43.069 42.059 -0.029 0.000 1.245 816 L HN 0.589 nan 8.230 nan 0.000 0.432 817 V N 2.048 121.940 119.914 -0.036 0.000 2.446 817 V HA 0.420 4.540 4.120 0.000 0.000 0.244 817 V C 0.845 176.915 176.094 -0.040 0.000 1.039 817 V CA 0.871 63.150 62.300 -0.035 0.000 1.045 817 V CB -0.755 31.048 31.823 -0.035 0.000 0.681 817 V HN 0.696 nan 8.190 nan 0.000 0.459 818 A N -0.737 122.052 122.820 -0.052 0.000 2.572 818 A HA 0.784 5.105 4.320 0.000 0.000 0.295 818 A C -1.010 176.510 177.584 -0.107 0.000 1.072 818 A CA -0.563 51.431 52.037 -0.072 0.000 0.691 818 A CB 2.124 21.082 19.000 -0.070 0.000 1.291 818 A HN 0.362 nan 8.150 nan 0.000 0.404 819 Q N 0.190 119.899 119.800 -0.153 0.000 2.295 819 Q HA 0.558 4.898 4.340 0.000 0.000 0.268 819 Q C -0.433 175.279 176.000 -0.480 0.000 1.010 819 Q CA 0.145 55.806 55.803 -0.237 0.000 0.856 819 Q CB 2.286 30.994 28.738 -0.050 0.000 1.349 819 Q HN 2.230 nan 8.270 nan 0.000 0.412 820 G N 0.873 109.017 108.800 -1.094 0.000 2.350 820 G HA2 -0.001 3.959 3.960 0.000 0.000 0.282 820 G HA3 -0.001 3.959 3.960 0.000 0.000 0.282 820 G C -0.949 173.196 174.900 -1.259 0.000 1.314 820 G CA -0.559 43.583 45.100 -1.597 0.000 0.915 820 G HN 0.490 nan 8.290 nan 0.000 0.499 821 T N 2.439 116.615 114.554 -0.629 0.000 2.898 821 T HA 0.230 4.580 4.350 0.000 0.000 0.331 821 T C -1.160 173.436 174.700 -0.174 0.000 1.085 821 T CA 0.852 62.849 62.100 -0.171 0.000 1.129 821 T CB 0.862 69.722 68.868 -0.012 0.000 1.054 821 T HN 0.312 nan 8.240 nan 0.000 0.540 822 P HA -0.060 nan 4.420 nan 0.000 0.216 822 P C 1.250 178.521 177.300 -0.049 0.000 1.150 822 P CA 1.040 64.104 63.100 -0.059 0.000 0.837 822 P CB -0.023 31.669 31.700 -0.014 0.000 0.786 823 A N -0.483 122.317 122.820 -0.033 0.000 2.066 823 A HA -0.154 4.166 4.320 0.000 0.000 0.218 823 A C 2.075 179.634 177.584 -0.041 0.000 1.157 823 A CA 1.270 53.292 52.037 -0.024 0.000 0.670 823 A CB -0.874 18.122 19.000 -0.006 0.000 0.804 823 A HN 0.176 nan 8.150 nan 0.000 0.453 824 E N -0.528 119.629 120.200 -0.072 0.000 2.086 824 E HA -0.049 4.301 4.350 0.000 0.000 0.190 824 E C 1.881 178.422 176.600 -0.099 0.000 0.975 824 E CA 0.928 57.276 56.400 -0.087 0.000 0.813 824 E CB -0.050 29.580 29.700 -0.117 0.000 0.768 824 E HN 0.382 nan 8.360 nan 0.000 0.457 825 V N 1.508 121.346 119.914 -0.127 0.000 2.427 825 V HA -0.212 3.908 4.120 0.000 0.000 0.248 825 V C 2.311 178.372 176.094 -0.054 0.000 1.051 825 V CA 1.671 63.909 62.300 -0.103 0.000 1.048 825 V CB -0.639 31.111 31.823 -0.122 0.000 0.666 825 V HN 0.279 nan 8.190 nan 0.000 0.456 826 A N -0.818 121.977 122.820 -0.042 0.000 2.131 826 A HA -0.205 4.115 4.320 0.000 0.000 0.220 826 A C 2.081 179.651 177.584 -0.024 0.000 1.158 826 A CA 1.436 53.460 52.037 -0.021 0.000 0.665 826 A CB -0.243 18.748 19.000 -0.016 0.000 0.795 826 A HN 0.567 nan 8.150 nan 0.000 0.460 827 Q N -1.087 118.695 119.800 -0.031 0.000 2.317 827 Q HA 0.332 4.672 4.340 0.000 0.000 0.220 827 Q C 0.775 176.758 176.000 -0.028 0.000 0.873 827 Q CA 0.588 56.375 55.803 -0.027 0.000 0.936 827 Q CB -0.342 28.381 28.738 -0.025 0.000 1.105 827 Q HN 0.564 nan 8.270 nan 0.000 0.520 828 A N 1.698 124.498 122.820 -0.034 0.000 2.580 828 A HA 0.331 4.651 4.320 0.000 0.000 0.244 828 A C 0.320 177.890 177.584 -0.024 0.000 1.045 828 A CA 0.538 52.555 52.037 -0.034 0.000 0.761 828 A CB 0.003 18.977 19.000 -0.043 0.000 0.962 828 A HN 0.259 nan 8.150 nan 0.000 0.512 829 A N 2.238 125.045 122.820 -0.022 0.000 2.388 829 A HA 0.572 4.892 4.320 0.000 0.000 0.257 829 A C 1.581 179.156 177.584 -0.016 0.000 1.095 829 A CA 0.478 52.505 52.037 -0.017 0.000 0.791 829 A CB -0.200 18.791 19.000 -0.016 0.000 1.029 829 A HN 2.761 nan 8.150 nan 0.000 0.489 830 G N 0.582 109.375 108.800 -0.012 0.000 2.179 830 G HA2 -0.181 3.779 3.960 0.000 0.000 0.260 830 G HA3 -0.181 3.779 3.960 0.000 0.000 0.260 830 G C 0.510 175.404 174.900 -0.011 0.000 0.977 830 G CA 0.692 45.785 45.100 -0.011 0.000 0.641 830 G HN 1.749 nan 8.290 nan 0.000 0.533 831 S N -0.854 114.842 115.700 -0.007 0.000 2.489 831 S HA 0.587 5.058 4.470 0.000 0.000 0.291 831 S C 1.328 175.944 174.600 0.027 0.000 1.151 831 S CA 0.093 58.293 58.200 -0.000 0.000 1.082 831 S CB 1.856 65.053 63.200 -0.004 0.000 1.019 831 S HN 0.648 nan 8.310 nan 0.000 0.492 832 V N 4.796 124.729 119.914 0.033 0.000 3.406 832 V HA -0.002 4.118 4.120 0.000 0.000 0.263 832 V C 2.093 178.337 176.094 0.249 0.000 1.172 832 V CA 1.564 63.918 62.300 0.090 0.000 1.140 832 V CB -0.566 31.261 31.823 0.006 0.000 0.784 832 V HN 0.929 nan 8.190 nan 0.000 0.467 833 T N 0.307 114.992 114.554 0.219 0.000 2.937 833 T HA 0.047 4.397 4.350 0.000 0.000 0.260 833 T C 2.189 177.027 174.700 0.231 0.000 1.051 833 T CA 1.091 63.397 62.100 0.344 0.000 1.141 833 T CB -0.174 68.852 68.868 0.265 0.000 0.879 833 T HN 0.502 nan 8.240 nan 0.000 0.459 834 A N 2.767 125.655 122.820 0.114 0.000 1.882 834 A HA -0.157 4.163 4.320 0.000 0.000 0.220 834 A C 0.147 177.742 177.584 0.018 0.000 1.253 834 A CA 1.933 53.996 52.037 0.044 0.000 0.664 834 A CB -1.867 17.138 19.000 0.009 0.000 0.838 834 A HN 0.364 nan 8.150 nan 0.000 0.460 835 P HA -0.162 nan 4.420 nan 0.000 0.216 835 P C 0.977 178.148 177.300 -0.215 0.000 1.150 835 P CA 1.527 64.522 63.100 -0.176 0.000 0.843 835 P CB -0.214 31.291 31.700 -0.326 0.000 0.787 836 Y N -1.372 118.942 120.300 0.022 0.000 2.220 836 Y HA -0.053 4.497 4.550 0.000 0.000 0.291 836 Y C 2.499 178.391 175.900 -0.012 0.000 1.129 836 Y CA 0.622 58.724 58.100 0.002 0.000 1.161 836 Y CB -0.999 37.456 38.460 -0.008 0.000 0.997 836 Y HN -0.162 nan 8.280 nan 0.000 0.522 837 L N 0.253 121.561 121.223 0.141 0.000 2.012 837 L HA -0.293 4.047 4.340 0.000 0.000 0.210 837 L C 2.754 179.647 176.870 0.037 0.000 1.073 837 L CA 1.558 56.438 54.840 0.066 0.000 0.748 837 L CB -0.332 41.754 42.059 0.045 0.000 0.891 837 L HN 0.233 nan 8.230 nan 0.000 0.431 838 R N -0.226 120.284 120.500 0.018 0.000 2.105 838 R HA -0.204 4.136 4.340 0.000 0.000 0.239 838 R C 2.047 178.350 176.300 0.005 0.000 1.135 838 R CA 1.566 57.666 56.100 0.001 0.000 0.967 838 R CB -0.223 30.064 30.300 -0.021 0.000 0.861 838 R HN 0.476 nan 8.270 nan 0.000 0.442 839 A N 0.117 122.939 122.820 0.003 0.000 2.014 839 A HA 0.059 4.379 4.320 0.000 0.000 0.218 839 A C 2.150 179.755 177.584 0.035 0.000 1.163 839 A CA 1.182 53.225 52.037 0.010 0.000 0.652 839 A CB -0.289 18.710 19.000 -0.001 0.000 0.808 839 A HN 0.498 nan 8.150 nan 0.000 0.449 840 A N -0.574 122.273 122.820 0.046 0.000 2.016 840 A HA 0.151 4.471 4.320 0.000 0.000 0.217 840 A C 2.022 179.643 177.584 0.062 0.000 1.162 840 A CA 0.961 53.031 52.037 0.054 0.000 0.662 840 A CB -0.431 18.598 19.000 0.050 0.000 0.812 840 A HN 0.437 nan 8.150 nan 0.000 0.450 841 L N -0.256 120.996 121.223 0.049 0.000 2.046 841 L HA -0.147 4.194 4.340 0.000 0.000 0.208 841 L C 1.343 178.252 176.870 0.065 0.000 1.077 841 L CA 0.670 55.537 54.840 0.045 0.000 0.747 841 L CB -0.399 41.676 42.059 0.026 0.000 0.896 841 L HN 0.410 nan 8.230 nan 0.000 0.432 842 R N 0.000 120.546 120.500 0.076 0.000 2.786 842 R HA 0.000 4.340 4.340 0.000 0.000 0.208 842 R CA 0.000 56.163 56.100 0.105 0.000 0.921 842 R CB 0.000 30.380 30.300 0.133 0.000 0.687 842 R HN 0.000 nan 8.270 nan 0.000 0.535