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 3m62_1_A DATA FIRST_RESID -5 DATA SEQUENCE SPEFRSMTAI EDILQITTDP SDTRGYSLLK SEEVPQGSTL GVDFIDTLLL DATA SEQUENCE YQLTENEKLD KPFEYLNDCF RRNQQQKRIT KNKPNAESLH STFQEIDRLV DATA SEQUENCE IGYGVVALQI ENFCMNGAFI NYITGIVSNV NSYTDFLSQI IQRAILEGTA DATA SEQUENCE LDLLNAVFPT LLEYCNKHVS HFDLNESVIY NNVLTIFELF VTFKPIAEIF DATA SEQUENCE TKIDGFFADY SCKPQDFERK TILGPILSLS PIEAAVAIRN YGDNLLRSKQ DATA SEQUENCE QTAMIHESLQ AEHKVVIDRL FFIVDKLVRG SLNSRTDMIS YFAHIANKNH DATA SEQUENCE LRRADHPPFK ELSSNGFMSN ITLLLVRFSQ PFLDISYKKI DKIDANYFNN DATA SEQUENCE PSLFIDLSGE TRLNSDFKEA DAFYDKNRKT ADSKPNFISD CFFLTLTYLH DATA SEQUENCE YGLGGTLSFE EKMGSEIKAL KEEIEKVKKI AANHDVFARF ITAQLSKMEK DATA SEQUENCE ALKTTESLRF ALQGFFAHRS LQLEVFDFIC GASTFLIRVV DPEHEFPFKQ DATA SEQUENCE IKLPLIPDQI XXXXVDNADF LRAHAPVPFK YYPEFVVEGP VNYSLYISKY DATA SEQUENCE QTSPIFRNPR LGSFVEFTTM VLRCPELVSN PHLKGKLVQL LSVGAMPLTD DATA SEQUENCE NSPGFMMDIF EHDELVNKNL LYALLDFYVI VEKTGSSSQF YDKFNSRYSI DATA SEQUENCE SIILEELYYK IPSYKNQLIW QSQNNADFFV RFVARMLNDL TFLLDEGLSN DATA SEQUENCE LAEVHNIQNE LDNRARGAPX XREEEDKELQ TRLASASRQA KSSCGLADKS DATA SEQUENCE MKLFEIYSKD IPAAFVTPEI VYRLASMLNY NLESLVGPKC GELKVKDPQS DATA SEQUENCE YSFNPKDLLK ALTTVYINLS EQSEFISAVA KDERSFNRNL FVRAVDILGR DATA SEQUENCE KTGLASPEFI EKLLNFANKA EEQRKADEEE DLEYGDVPDE FLDPLMYTIM DATA SEQUENCE KDPVILPASK MNIDRSTIKA HLLSDSTDPF NRMPLKLEDV TPNEELRQKI DATA SEQUENCE LCFKKQKKEE A 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 -5 S HA 0.000 nan 4.470 nan 0.000 0.327 -5 S C 0.000 174.683 174.600 0.138 0.000 1.055 -5 S CA 0.000 58.292 58.200 0.153 0.000 1.107 -5 S CB 0.000 63.324 63.200 0.206 0.000 0.593 -4 P HA 0.290 nan 4.420 nan 0.000 0.257 -4 P C 0.786 178.116 177.300 0.050 0.000 1.241 -4 P CA 0.489 63.627 63.100 0.064 0.000 0.816 -4 P CB 0.229 31.950 31.700 0.034 0.000 1.150 -3 E N -0.235 119.993 120.200 0.047 0.000 2.216 -3 E HA 0.025 4.362 4.350 -0.021 0.000 0.192 -3 E C 0.874 177.431 176.600 -0.071 0.000 0.988 -3 E CA 0.180 56.565 56.400 -0.025 0.000 0.834 -3 E CB -0.742 28.925 29.700 -0.055 0.000 0.772 -3 E HN 0.110 nan 8.360 nan 0.000 0.479 -2 F N 0.416 120.342 119.950 -0.040 0.000 1.996 -2 F HA -0.023 4.491 4.527 -0.021 0.000 0.241 -2 F C 2.224 177.999 175.800 -0.040 0.000 1.049 -2 F CA 1.443 59.419 58.000 -0.039 0.000 1.222 -2 F CB 0.084 39.066 39.000 -0.028 0.000 1.834 -2 F HN -0.120 nan 8.300 nan 0.000 0.508 -1 R N -0.534 120.116 120.500 0.250 0.000 1.439 -1 R HA -0.348 3.979 4.340 -0.021 0.000 0.054 -1 R C 1.930 178.246 176.300 0.026 0.000 0.951 -1 R CA 1.933 58.096 56.100 0.105 0.000 1.466 -1 R CB -1.937 28.405 30.300 0.070 0.000 0.473 -1 R HN 0.529 nan 8.270 nan 0.000 0.556 0 S N 0.043 115.730 115.700 -0.022 0.000 2.344 0 S HA -0.197 4.261 4.470 -0.021 0.000 0.217 0 S C 1.853 176.407 174.600 -0.077 0.000 1.033 0 S CA 2.139 60.283 58.200 -0.092 0.000 1.017 0 S CB -0.263 62.876 63.200 -0.103 0.000 0.941 0 S HN 0.422 nan 8.310 nan 0.000 0.430 1 M N 1.241 120.788 119.600 -0.088 0.000 2.103 1 M HA -0.169 4.298 4.480 -0.021 0.000 0.255 1 M C 2.138 178.416 176.300 -0.037 0.000 1.074 1 M CA 2.859 58.091 55.300 -0.113 0.000 1.090 1 M CB -1.027 31.436 32.600 -0.228 0.000 1.325 1 M HN 0.545 nan 8.290 nan 0.000 0.403 2 T N -1.421 113.154 114.554 0.034 0.000 3.014 2 T HA 0.213 4.551 4.350 -0.021 0.000 0.263 2 T C 1.812 176.560 174.700 0.080 0.000 1.078 2 T CA 0.953 63.109 62.100 0.093 0.000 1.135 2 T CB -0.545 68.419 68.868 0.160 0.000 0.895 2 T HN 0.544 nan 8.240 nan 0.000 0.480 3 A N 1.590 124.436 122.820 0.043 0.000 1.902 3 A HA 0.139 4.447 4.320 -0.021 0.000 0.217 3 A C 2.334 179.930 177.584 0.021 0.000 1.181 3 A CA 1.415 53.476 52.037 0.041 0.000 0.623 3 A CB -0.812 18.181 19.000 -0.011 0.000 0.818 3 A HN 0.629 nan 8.150 nan 0.000 0.443 4 I N -0.421 120.140 120.570 -0.014 0.000 2.286 4 I HA -0.276 3.882 4.170 -0.021 0.000 0.248 4 I C 2.472 178.584 176.117 -0.007 0.000 1.115 4 I CA 1.616 62.907 61.300 -0.015 0.000 1.392 4 I CB -0.483 37.500 38.000 -0.028 0.000 1.065 4 I HN 0.436 nan 8.210 nan 0.000 0.418 5 E N 0.778 120.994 120.200 0.025 0.000 2.051 5 E HA -0.220 4.117 4.350 -0.021 0.000 0.192 5 E C 1.625 178.193 176.600 -0.055 0.000 0.991 5 E CA 1.359 57.795 56.400 0.060 0.000 0.799 5 E CB -0.059 29.753 29.700 0.186 0.000 0.748 5 E HN 0.479 nan 8.360 nan 0.000 0.449 6 D N 0.161 120.585 120.400 0.040 0.000 2.224 6 D HA -0.050 4.577 4.640 -0.021 0.000 0.205 6 D C 1.860 178.075 176.300 -0.141 0.000 0.965 6 D CA 0.743 54.741 54.000 -0.003 0.000 0.852 6 D CB 0.124 41.008 40.800 0.140 0.000 0.947 6 D HN 0.226 nan 8.370 nan 0.000 0.494 7 I N 0.004 120.518 120.570 -0.093 0.000 2.585 7 I HA -0.055 4.103 4.170 -0.021 0.000 0.254 7 I C 1.833 177.865 176.117 -0.142 0.000 1.129 7 I CA 0.464 61.707 61.300 -0.095 0.000 1.455 7 I CB 0.263 38.246 38.000 -0.028 0.000 1.111 7 I HN -0.118 nan 8.210 nan 0.000 0.433 8 L N -0.119 121.034 121.223 -0.116 0.000 2.607 8 L HA 0.154 4.482 4.340 -0.021 0.000 0.228 8 L C 0.120 176.970 176.870 -0.032 0.000 1.123 8 L CA 0.094 54.906 54.840 -0.046 0.000 0.890 8 L CB -0.265 41.825 42.059 0.051 0.000 1.103 8 L HN 0.240 nan 8.230 nan 0.000 0.468 9 Q N 1.098 120.685 119.800 -0.354 0.000 2.448 9 Q HA -0.172 4.156 4.340 -0.021 0.000 0.356 9 Q C -0.568 175.251 176.000 -0.302 0.000 1.430 9 Q CA 0.700 56.025 55.803 -0.797 0.000 1.011 9 Q CB -1.263 27.180 28.738 -0.492 0.000 1.203 9 Q HN 0.497 nan 8.270 nan 0.000 0.351 10 I N -0.360 120.122 120.570 -0.147 0.000 2.841 10 I HA 0.552 4.710 4.170 -0.021 0.000 0.298 10 I C -0.592 175.608 176.117 0.139 0.000 1.304 10 I CA -0.265 61.077 61.300 0.071 0.000 1.019 10 I CB 2.436 40.477 38.000 0.068 0.000 1.282 10 I HN 0.230 nan 8.210 nan 0.000 0.432 11 T N 2.590 117.214 114.554 0.116 0.000 2.681 11 T HA 0.424 4.761 4.350 -0.021 0.000 0.296 11 T C -0.204 174.494 174.700 -0.003 0.000 1.157 11 T CA -0.410 61.733 62.100 0.072 0.000 1.025 11 T CB 1.816 70.748 68.868 0.107 0.000 1.441 11 T HN 0.589 nan 8.240 nan 0.000 0.504 12 T N -0.257 114.282 114.554 -0.024 0.000 3.115 12 T HA 0.162 4.500 4.350 -0.021 0.000 0.256 12 T C 0.690 175.367 174.700 -0.039 0.000 0.970 12 T CA 0.185 62.254 62.100 -0.053 0.000 1.010 12 T CB 0.005 68.829 68.868 -0.072 0.000 1.151 12 T HN 0.497 nan 8.240 nan 0.000 0.479 13 D N 1.039 121.422 120.400 -0.028 0.000 2.338 13 D HA 0.118 4.745 4.640 -0.021 0.000 0.208 13 D C -1.533 174.759 176.300 -0.013 0.000 0.997 13 D CA 0.348 54.335 54.000 -0.022 0.000 0.880 13 D CB 0.499 41.285 40.800 -0.022 0.000 0.980 13 D HN 0.379 nan 8.370 nan 0.000 0.509 14 P HA 0.104 nan 4.420 nan 0.000 0.535 14 P C -0.697 176.596 177.300 -0.011 0.000 0.929 14 P CA 0.106 63.202 63.100 -0.006 0.000 2.485 14 P CB 0.468 32.169 31.700 0.002 0.000 1.180 15 S N 1.655 117.348 115.700 -0.011 0.000 3.227 15 S HA 0.312 4.770 4.470 -0.021 0.000 0.249 15 S C -0.266 174.323 174.600 -0.018 0.000 1.322 15 S CA 0.196 58.390 58.200 -0.009 0.000 1.253 15 S CB -0.747 62.450 63.200 -0.006 0.000 1.076 15 S HN 0.291 nan 8.310 nan 0.000 0.471 16 D N -1.341 119.039 120.400 -0.033 0.000 2.878 16 D HA 0.543 5.171 4.640 -0.021 0.000 0.211 16 D C 0.410 176.658 176.300 -0.087 0.000 1.271 16 D CA -0.576 53.396 54.000 -0.047 0.000 0.845 16 D CB 0.644 41.422 40.800 -0.037 0.000 1.679 16 D HN -0.031 nan 8.370 nan 0.000 0.536 17 T N -0.603 113.895 114.554 -0.094 0.000 10.102 17 T HA -0.120 4.218 4.350 -0.021 0.000 0.340 17 T C 0.010 174.618 174.700 -0.153 0.000 1.928 17 T CA 0.009 62.038 62.100 -0.118 0.000 3.247 17 T CB -0.755 68.037 68.868 -0.125 0.000 1.835 17 T HN 0.606 nan 8.240 nan 0.000 0.328 18 R N 1.464 121.797 120.500 -0.279 0.000 2.803 18 R HA 0.732 5.059 4.340 -0.021 0.000 0.276 18 R C 1.543 177.764 176.300 -0.131 0.000 0.978 18 R CA 0.227 56.157 56.100 -0.283 0.000 0.939 18 R CB 0.731 30.732 30.300 -0.499 0.000 1.179 18 R HN 0.355 nan 8.270 nan 0.000 0.472 19 G N 2.143 110.994 108.800 0.084 0.000 2.917 19 G HA2 -0.371 3.576 3.960 -0.021 0.000 0.249 19 G HA3 -0.371 3.576 3.960 -0.021 0.000 0.249 19 G C -0.229 174.834 174.900 0.271 0.000 1.101 19 G CA 1.617 46.833 45.100 0.193 0.000 0.732 19 G HN 0.617 nan 8.290 nan 0.000 0.650 20 Y N 1.466 121.786 120.300 0.034 0.000 3.164 20 Y HA 0.011 4.549 4.550 -0.021 0.000 0.376 20 Y C 1.371 177.292 175.900 0.035 0.000 1.166 20 Y CA -0.217 57.907 58.100 0.041 0.000 1.568 20 Y CB -0.962 37.520 38.460 0.037 0.000 1.042 20 Y HN 0.416 nan 8.280 nan 0.000 0.596 21 S N 3.150 118.958 115.700 0.179 0.000 2.499 21 S HA 0.585 5.043 4.470 -0.021 0.000 0.275 21 S C -0.419 174.249 174.600 0.113 0.000 1.257 21 S CA -1.217 57.062 58.200 0.131 0.000 1.050 21 S CB 0.577 63.855 63.200 0.129 0.000 0.937 21 S HN 0.422 nan 8.310 nan 0.000 0.490 22 L N 3.198 124.467 121.223 0.077 0.000 2.499 22 L HA 0.231 4.558 4.340 -0.021 0.000 0.273 22 L C 0.398 177.242 176.870 -0.043 0.000 1.195 22 L CA -0.101 54.752 54.840 0.022 0.000 0.882 22 L CB -0.346 41.723 42.059 0.017 0.000 1.133 22 L HN 0.681 nan 8.230 nan 0.000 0.483 23 L N 4.681 125.809 121.223 -0.158 0.000 2.369 23 L HA 0.215 4.542 4.340 -0.021 0.000 0.279 23 L C -0.119 176.504 176.870 -0.412 0.000 1.108 23 L CA 0.081 54.643 54.840 -0.463 0.000 0.852 23 L CB -0.100 41.701 42.059 -0.430 0.000 1.169 23 L HN 0.533 nan 8.230 nan 0.000 0.452 24 K N 2.897 122.980 120.400 -0.527 0.000 2.244 24 K HA 0.372 4.680 4.320 -0.021 0.000 0.260 24 K C 0.156 176.742 176.600 -0.023 0.000 0.951 24 K CA -0.122 56.101 56.287 -0.106 0.000 0.826 24 K CB 1.903 34.491 32.500 0.146 0.000 1.108 24 K HN 0.709 nan 8.250 nan 0.000 0.433 25 S N 0.066 115.764 115.700 -0.004 0.000 2.820 25 S HA 0.082 4.539 4.470 -0.021 0.000 0.265 25 S C 0.239 174.825 174.600 -0.024 0.000 1.043 25 S CA -0.497 57.687 58.200 -0.026 0.000 1.245 25 S CB 0.451 63.658 63.200 0.012 0.000 1.187 25 S HN 0.455 nan 8.310 nan 0.000 0.673 26 E N 2.242 122.432 120.200 -0.017 0.000 2.442 26 E HA 0.050 4.388 4.350 -0.021 0.000 0.262 26 E C 0.551 177.146 176.600 -0.007 0.000 1.004 26 E CA 0.336 56.735 56.400 -0.002 0.000 0.928 26 E CB 0.571 30.277 29.700 0.010 0.000 0.937 26 E HN 0.493 nan 8.360 nan 0.000 0.446 27 E N 1.954 122.155 120.200 0.002 0.000 2.106 27 E HA -0.141 4.196 4.350 -0.021 0.000 0.192 27 E C 1.837 178.449 176.600 0.019 0.000 0.984 27 E CA 0.649 57.053 56.400 0.006 0.000 0.806 27 E CB 0.168 29.871 29.700 0.006 0.000 0.750 27 E HN 0.288 nan 8.360 nan 0.000 0.458 28 V N 1.337 121.262 119.914 0.018 0.000 2.392 28 V HA -0.156 3.952 4.120 -0.021 0.000 0.249 28 V C -1.535 174.604 176.094 0.075 0.000 1.059 28 V CA 1.354 63.670 62.300 0.027 0.000 1.051 28 V CB -0.816 31.005 31.823 -0.004 0.000 0.658 28 V HN 0.210 nan 8.190 nan 0.000 0.455 29 P HA 0.308 nan 4.420 nan 0.000 0.203 29 P C -0.046 177.271 177.300 0.028 0.000 1.874 29 P CA 0.147 63.308 63.100 0.102 0.000 1.058 29 P CB 0.593 32.327 31.700 0.056 0.000 1.848 30 Q N -0.061 119.761 119.800 0.037 0.000 2.185 30 Q HA 0.196 4.524 4.340 -0.021 0.000 0.234 30 Q C 0.934 176.927 176.000 -0.011 0.000 0.819 30 Q CA -0.213 55.587 55.803 -0.005 0.000 0.961 30 Q CB 0.839 29.573 28.738 -0.007 0.000 1.140 30 Q HN 0.313 nan 8.270 nan 0.000 0.492 31 G N 0.656 109.468 108.800 0.020 0.000 2.389 31 G HA2 0.095 4.042 3.960 -0.021 0.000 0.287 31 G HA3 0.095 4.042 3.960 -0.021 0.000 0.287 31 G C -0.124 174.697 174.900 -0.132 0.000 1.126 31 G CA -0.143 44.947 45.100 -0.016 0.000 1.073 31 G HN 0.005 nan 8.290 nan 0.000 0.429 32 S N 2.324 117.951 115.700 -0.122 0.000 4.085 32 S HA 0.157 4.614 4.470 -0.021 0.000 0.189 32 S C 1.213 175.675 174.600 -0.231 0.000 1.392 32 S CA -0.259 57.843 58.200 -0.164 0.000 0.972 32 S CB -0.266 62.870 63.200 -0.107 0.000 1.482 32 S HN 0.774 nan 8.310 nan 0.000 0.446 33 T N 0.218 114.574 114.554 -0.330 0.000 2.624 33 T HA 0.703 5.041 4.350 -0.021 0.000 0.223 33 T C 0.584 174.989 174.700 -0.491 0.000 0.992 33 T CA -0.597 61.264 62.100 -0.398 0.000 1.111 33 T CB 0.409 69.049 68.868 -0.379 0.000 2.611 33 T HN 0.273 nan 8.240 nan 0.000 0.489 34 L N -1.801 119.062 121.223 -0.600 0.000 2.090 34 L HA 0.443 4.771 4.340 -0.021 0.000 0.303 34 L C 0.446 177.068 176.870 -0.413 0.000 0.548 34 L CA 0.046 54.501 54.840 -0.642 0.000 1.199 34 L CB -0.535 41.321 42.059 -0.338 0.000 1.680 34 L HN 1.115 nan 8.230 nan 0.000 0.334 35 G N -0.116 108.572 108.800 -0.186 0.000 2.681 35 G HA2 -0.178 3.769 3.960 -0.021 0.000 0.220 35 G HA3 -0.178 3.769 3.960 -0.021 0.000 0.220 35 G C 0.361 175.294 174.900 0.056 0.000 1.353 35 G CA -0.154 44.904 45.100 -0.069 0.000 0.872 35 G HN 0.488 nan 8.290 nan 0.000 0.557 36 V N 0.974 120.921 119.914 0.055 0.000 2.407 36 V HA -0.098 4.010 4.120 -0.021 0.000 0.248 36 V C 2.343 178.499 176.094 0.104 0.000 1.055 36 V CA 3.198 65.530 62.300 0.054 0.000 1.049 36 V CB -0.644 31.187 31.823 0.013 0.000 0.662 36 V HN 0.921 nan 8.190 nan 0.000 0.455 37 D N -2.115 118.382 120.400 0.161 0.000 2.340 37 D HA 0.009 4.637 4.640 -0.021 0.000 0.217 37 D C 1.176 177.506 176.300 0.049 0.000 1.081 37 D CA 0.042 54.094 54.000 0.086 0.000 0.842 37 D CB -0.314 40.496 40.800 0.017 0.000 0.934 37 D HN 0.398 nan 8.370 nan 0.000 0.511 38 F N 0.319 120.270 119.950 0.002 0.000 2.776 38 F HA 0.366 4.881 4.527 -0.021 0.000 0.300 38 F C 1.877 177.694 175.800 0.029 0.000 1.116 38 F CA -0.225 57.780 58.000 0.008 0.000 1.375 38 F CB -0.076 38.917 39.000 -0.012 0.000 1.109 38 F HN -0.064 nan 8.300 nan 0.000 0.585 39 I N -0.250 120.435 120.570 0.192 0.000 2.315 39 I HA -0.270 3.888 4.170 -0.021 0.000 0.248 39 I C 2.219 178.434 176.117 0.163 0.000 1.117 39 I CA 1.369 62.761 61.300 0.152 0.000 1.404 39 I CB -0.231 37.836 38.000 0.113 0.000 1.071 39 I HN 0.017 nan 8.210 nan 0.000 0.419 40 D N 0.662 121.155 120.400 0.155 0.000 2.084 40 D HA -0.168 4.460 4.640 -0.021 0.000 0.194 40 D C 2.116 178.510 176.300 0.157 0.000 0.990 40 D CA 1.941 56.063 54.000 0.204 0.000 0.826 40 D CB -0.043 40.860 40.800 0.173 0.000 0.971 40 D HN 0.201 nan 8.370 nan 0.000 0.453 41 T N 0.942 115.557 114.554 0.103 0.000 2.597 41 T HA -0.207 4.131 4.350 -0.021 0.000 0.267 41 T C 2.188 176.963 174.700 0.125 0.000 1.053 41 T CA 1.556 63.708 62.100 0.086 0.000 1.165 41 T CB -0.695 68.199 68.868 0.044 0.000 0.863 41 T HN 0.171 nan 8.240 nan 0.000 0.427 42 L N 0.336 121.648 121.223 0.148 0.000 2.021 42 L HA -0.151 4.176 4.340 -0.021 0.000 0.215 42 L C 2.687 179.670 176.870 0.188 0.000 1.074 42 L CA 1.517 56.456 54.840 0.166 0.000 0.760 42 L CB -0.853 41.296 42.059 0.151 0.000 0.889 42 L HN 0.241 nan 8.230 nan 0.000 0.433 43 L N -0.807 120.505 121.223 0.148 0.000 2.109 43 L HA -0.174 4.153 4.340 -0.021 0.000 0.207 43 L C 2.549 179.384 176.870 -0.058 0.000 1.086 43 L CA 0.790 55.689 54.840 0.098 0.000 0.760 43 L CB -0.295 41.844 42.059 0.133 0.000 0.910 43 L HN 0.237 nan 8.230 nan 0.000 0.437 44 L N -1.441 119.740 121.223 -0.070 0.000 2.017 44 L HA -0.282 4.046 4.340 -0.021 0.000 0.208 44 L C 2.610 179.440 176.870 -0.067 0.000 1.073 44 L CA 1.446 56.215 54.840 -0.119 0.000 0.745 44 L CB -0.713 41.336 42.059 -0.018 0.000 0.894 44 L HN 0.208 nan 8.230 nan 0.000 0.432 45 Y N 0.902 121.158 120.300 -0.072 0.000 2.014 45 Y HA -0.379 4.158 4.550 -0.021 0.000 0.272 45 Y C 2.826 178.666 175.900 -0.100 0.000 1.164 45 Y CA 1.860 59.919 58.100 -0.069 0.000 1.114 45 Y CB -0.439 38.002 38.460 -0.031 0.000 0.961 45 Y HN 0.150 nan 8.280 nan 0.000 0.489 46 Q N 0.186 119.895 119.800 -0.153 0.000 2.156 46 Q HA -0.233 4.094 4.340 -0.021 0.000 0.211 46 Q C 2.406 178.204 176.000 -0.336 0.000 0.995 46 Q CA 2.417 58.034 55.803 -0.310 0.000 0.877 46 Q CB -0.671 28.020 28.738 -0.080 0.000 0.920 46 Q HN 0.629 nan 8.270 nan 0.000 0.416 47 L N -0.639 120.436 121.223 -0.247 0.000 2.357 47 L HA -0.012 4.316 4.340 -0.021 0.000 0.211 47 L C 2.279 178.935 176.870 -0.357 0.000 1.075 47 L CA 1.298 55.995 54.840 -0.239 0.000 0.830 47 L CB -0.091 41.867 42.059 -0.168 0.000 0.996 47 L HN 0.285 nan 8.230 nan 0.000 0.467 48 T N -4.916 109.400 114.554 -0.397 0.000 3.038 48 T HA 0.027 4.365 4.350 -0.021 0.000 0.244 48 T C 1.623 176.154 174.700 -0.281 0.000 1.016 48 T CA 0.136 62.002 62.100 -0.391 0.000 1.098 48 T CB 0.170 68.785 68.868 -0.422 0.000 0.954 48 T HN -0.054 nan 8.240 nan 0.000 0.469 49 E N 1.366 121.386 120.200 -0.300 0.000 2.152 49 E HA 0.106 4.443 4.350 -0.021 0.000 0.192 49 E C 0.426 176.840 176.600 -0.310 0.000 0.983 49 E CA 0.403 56.645 56.400 -0.263 0.000 0.818 49 E CB 0.070 29.615 29.700 -0.258 0.000 0.758 49 E HN 0.452 nan 8.360 nan 0.000 0.467 50 N N -0.726 117.727 118.700 -0.413 0.000 2.462 50 N HA -0.185 4.543 4.740 -0.021 0.000 0.212 50 N C -0.378 174.935 175.510 -0.328 0.000 0.901 50 N CA 1.379 54.248 53.050 -0.302 0.000 1.075 50 N CB -0.740 37.641 38.487 -0.178 0.000 1.362 50 N HN 0.262 nan 8.380 nan 0.000 0.499 51 E N -0.934 119.156 120.200 -0.183 0.000 6.013 51 E HA -0.082 4.256 4.350 -0.021 0.000 0.551 51 E C -1.418 175.127 176.600 -0.091 0.000 2.261 51 E CA -0.452 55.877 56.400 -0.117 0.000 3.043 51 E CB -0.730 28.893 29.700 -0.128 0.000 0.783 51 E HN 0.508 nan 8.360 nan 0.000 0.270 52 K N 0.766 121.127 120.400 -0.066 0.000 2.403 52 K HA 0.458 4.766 4.320 -0.021 0.000 0.235 52 K C -0.474 176.081 176.600 -0.075 0.000 1.142 52 K CA -0.222 56.033 56.287 -0.054 0.000 1.114 52 K CB 0.138 32.624 32.500 -0.022 0.000 1.777 52 K HN 0.280 nan 8.250 nan 0.000 0.424 53 L N 4.011 125.156 121.223 -0.129 0.000 2.395 53 L HA 0.042 4.370 4.340 -0.021 0.000 0.268 53 L C 0.988 177.818 176.870 -0.066 0.000 1.223 53 L CA -0.143 54.603 54.840 -0.156 0.000 1.093 53 L CB 0.093 41.978 42.059 -0.290 0.000 1.349 53 L HN 0.590 nan 8.230 nan 0.000 0.427 54 D N 1.843 122.237 120.400 -0.010 0.000 2.323 54 D HA -0.121 4.506 4.640 -0.021 0.000 0.209 54 D C 0.317 176.685 176.300 0.113 0.000 0.973 54 D CA 0.436 54.462 54.000 0.043 0.000 0.874 54 D CB 0.351 41.176 40.800 0.041 0.000 0.930 54 D HN 0.291 nan 8.370 nan 0.000 0.521 55 K N 1.341 121.813 120.400 0.120 0.000 2.682 55 K HA 0.234 4.541 4.320 -0.021 0.000 0.189 55 K C -1.903 174.804 176.600 0.179 0.000 1.062 55 K CA -1.694 54.714 56.287 0.202 0.000 0.997 55 K CB 2.103 34.724 32.500 0.202 0.000 1.405 55 K HN -0.090 nan 8.250 nan 0.000 0.588 56 P HA -0.223 nan 4.420 nan 0.000 0.216 56 P C 1.008 178.370 177.300 0.104 0.000 1.150 56 P CA 1.126 64.282 63.100 0.093 0.000 0.843 56 P CB 0.150 31.877 31.700 0.044 0.000 0.787 57 F N 1.092 120.906 119.950 -0.227 0.000 2.293 57 F HA -0.028 4.487 4.527 -0.021 0.000 0.297 57 F C 2.395 178.297 175.800 0.170 0.000 1.089 57 F CA 1.097 59.023 58.000 -0.123 0.000 1.377 57 F CB -0.369 38.389 39.000 -0.405 0.000 1.051 57 F HN -0.118 nan 8.300 nan 0.000 0.511 58 E N -0.974 119.366 120.200 0.233 0.000 2.153 58 E HA -0.297 4.040 4.350 -0.021 0.000 0.194 58 E C 2.086 178.682 176.600 -0.007 0.000 0.988 58 E CA 1.365 57.875 56.400 0.183 0.000 0.811 58 E CB -0.444 29.407 29.700 0.251 0.000 0.746 58 E HN 0.628 nan 8.360 nan 0.000 0.466 59 Y N 1.121 121.369 120.300 -0.087 0.000 2.184 59 Y HA -0.131 4.407 4.550 -0.021 0.000 0.290 59 Y C 1.913 177.696 175.900 -0.194 0.000 1.129 59 Y CA 1.403 59.435 58.100 -0.114 0.000 1.144 59 Y CB -0.417 38.004 38.460 -0.066 0.000 0.995 59 Y HN -0.028 nan 8.280 nan 0.000 0.513 60 L N 0.616 121.610 121.223 -0.382 0.000 1.997 60 L HA -0.344 3.983 4.340 -0.021 0.000 0.216 60 L C 2.378 178.730 176.870 -0.863 0.000 1.074 60 L CA 2.171 56.700 54.840 -0.518 0.000 0.763 60 L CB -0.963 40.983 42.059 -0.188 0.000 0.890 60 L HN 0.343 nan 8.230 nan 0.000 0.434 61 N N -0.099 118.068 118.700 -0.889 0.000 2.120 61 N HA -0.208 4.520 4.740 -0.021 0.000 0.188 61 N C 1.476 176.606 175.510 -0.635 0.000 1.024 61 N CA 1.594 54.025 53.050 -1.031 0.000 0.852 61 N CB -0.027 38.037 38.487 -0.705 0.000 1.003 61 N HN 0.234 nan 8.380 nan 0.000 0.424 62 D N -0.590 119.527 120.400 -0.472 0.000 2.178 62 D HA -0.085 4.543 4.640 -0.021 0.000 0.202 62 D C 1.832 177.921 176.300 -0.351 0.000 0.974 62 D CA 0.639 54.438 54.000 -0.334 0.000 0.841 62 D CB -0.522 40.145 40.800 -0.222 0.000 0.953 62 D HN 0.381 nan 8.370 nan 0.000 0.478 63 C N 0.249 119.262 119.300 -0.479 0.000 2.440 63 C HA -0.090 4.358 4.460 -0.021 0.000 0.278 63 C C 2.467 177.281 174.990 -0.294 0.000 1.295 63 C CA -0.125 58.644 59.018 -0.415 0.000 1.738 63 C CB -1.160 26.261 27.740 -0.532 0.000 1.987 63 C HN 0.269 nan 8.230 nan 0.000 0.492 64 F N 1.690 121.321 119.950 -0.532 0.000 2.113 64 F HA -0.092 4.423 4.527 -0.021 0.000 0.297 64 F C 2.543 178.157 175.800 -0.311 0.000 1.103 64 F CA 1.629 59.361 58.000 -0.447 0.000 1.248 64 F CB -0.394 38.158 39.000 -0.748 0.000 0.999 64 F HN -0.028 nan 8.300 nan 0.000 0.475 65 R N 0.328 120.679 120.500 -0.247 0.000 2.094 65 R HA -0.144 4.183 4.340 -0.021 0.000 0.239 65 R C 2.433 178.570 176.300 -0.271 0.000 1.137 65 R CA 1.918 57.867 56.100 -0.251 0.000 0.943 65 R CB -0.419 29.777 30.300 -0.174 0.000 0.850 65 R HN 0.211 nan 8.270 nan 0.000 0.433 66 R N -0.385 119.975 120.500 -0.233 0.000 2.127 66 R HA -0.132 4.195 4.340 -0.021 0.000 0.238 66 R C 1.945 178.128 176.300 -0.195 0.000 1.134 66 R CA 1.586 57.578 56.100 -0.180 0.000 0.975 66 R CB -0.364 29.846 30.300 -0.150 0.000 0.865 66 R HN 0.234 nan 8.270 nan 0.000 0.447 67 N N 0.267 118.813 118.700 -0.257 0.000 2.106 67 N HA -0.150 4.577 4.740 -0.021 0.000 0.188 67 N C 1.689 176.976 175.510 -0.372 0.000 1.029 67 N CA 1.199 54.104 53.050 -0.241 0.000 0.848 67 N CB 0.075 38.427 38.487 -0.226 0.000 1.007 67 N HN 0.057 nan 8.380 nan 0.000 0.423 68 Q N 0.191 119.705 119.800 -0.476 0.000 2.135 68 Q HA -0.185 4.143 4.340 -0.021 0.000 0.204 68 Q C 1.905 177.708 176.000 -0.328 0.000 0.981 68 Q CA 1.196 56.739 55.803 -0.433 0.000 0.856 68 Q CB -0.707 27.762 28.738 -0.449 0.000 0.902 68 Q HN 0.479 nan 8.270 nan 0.000 0.425 69 Q N 0.795 120.433 119.800 -0.270 0.000 2.061 69 Q HA -0.142 4.185 4.340 -0.021 0.000 0.204 69 Q C 1.999 177.873 176.000 -0.210 0.000 0.984 69 Q CA 1.645 57.330 55.803 -0.197 0.000 0.846 69 Q CB -0.086 28.565 28.738 -0.145 0.000 0.902 69 Q HN 0.354 nan 8.270 nan 0.000 0.421 70 Q N -0.192 119.460 119.800 -0.247 0.000 2.123 70 Q HA -0.103 4.224 4.340 -0.021 0.000 0.199 70 Q C 2.024 177.715 176.000 -0.515 0.000 0.966 70 Q CA 1.132 56.795 55.803 -0.232 0.000 0.845 70 Q CB -0.024 28.694 28.738 -0.032 0.000 0.907 70 Q HN 0.425 nan 8.270 nan 0.000 0.439 71 K N 0.637 120.527 120.400 -0.849 0.000 1.991 71 K HA -0.197 4.111 4.320 -0.021 0.000 0.212 71 K C 2.185 178.552 176.600 -0.388 0.000 1.049 71 K CA 1.288 57.046 56.287 -0.882 0.000 0.932 71 K CB -0.285 31.806 32.500 -0.681 0.000 0.717 71 K HN 0.065 nan 8.250 nan 0.000 0.441 72 R N 0.911 121.246 120.500 -0.275 0.000 2.103 72 R HA -0.188 4.140 4.340 -0.021 0.000 0.242 72 R C 2.179 178.410 176.300 -0.115 0.000 1.142 72 R CA 1.648 57.653 56.100 -0.159 0.000 0.960 72 R CB -0.262 29.959 30.300 -0.132 0.000 0.858 72 R HN 0.087 nan 8.270 nan 0.000 0.439 73 I N 0.177 120.677 120.570 -0.116 0.000 2.546 73 I HA -0.163 3.995 4.170 -0.021 0.000 0.255 73 I C 1.984 178.086 176.117 -0.025 0.000 1.163 73 I CA 1.389 62.654 61.300 -0.058 0.000 1.457 73 I CB -0.032 37.943 38.000 -0.042 0.000 1.092 73 I HN 0.172 nan 8.210 nan 0.000 0.434 74 T N -0.284 114.251 114.554 -0.031 0.000 2.937 74 T HA -0.131 4.207 4.350 -0.021 0.000 0.260 74 T C 1.929 176.654 174.700 0.042 0.000 1.051 74 T CA 0.864 62.998 62.100 0.056 0.000 1.141 74 T CB -0.062 68.927 68.868 0.200 0.000 0.879 74 T HN 0.278 nan 8.240 nan 0.000 0.459 75 K N 1.512 121.909 120.400 -0.005 0.000 2.059 75 K HA -0.185 4.122 4.320 -0.021 0.000 0.212 75 K C 0.928 177.531 176.600 0.004 0.000 1.050 75 K CA 1.792 58.078 56.287 -0.001 0.000 0.927 75 K CB -0.168 32.314 32.500 -0.031 0.000 0.714 75 K HN 0.133 nan 8.250 nan 0.000 0.447 76 N N 0.865 119.563 118.700 -0.003 0.000 2.375 76 N HA 0.065 4.793 4.740 -0.021 0.000 0.220 76 N C -1.074 174.440 175.510 0.008 0.000 1.170 76 N CA 0.324 53.374 53.050 -0.001 0.000 0.833 76 N CB 0.536 39.019 38.487 -0.008 0.000 1.069 76 N HN 0.151 nan 8.380 nan 0.000 0.479 77 K N -0.669 119.742 120.400 0.019 0.000 2.443 77 K HA 0.320 4.627 4.320 -0.021 0.000 0.251 77 K C -1.750 174.866 176.600 0.026 0.000 0.972 77 K CA -1.910 54.391 56.287 0.023 0.000 0.833 77 K CB 1.860 34.378 32.500 0.030 0.000 1.317 77 K HN -0.269 nan 8.250 nan 0.000 0.441 78 P HA -0.237 nan 4.420 nan 0.000 0.222 78 P C 0.302 177.617 177.300 0.025 0.000 1.159 78 P CA 1.673 64.784 63.100 0.019 0.000 0.920 78 P CB 0.210 31.920 31.700 0.016 0.000 0.793 79 N N -2.471 116.250 118.700 0.035 0.000 2.644 79 N HA 0.290 5.018 4.740 -0.021 0.000 0.313 79 N C 0.818 176.365 175.510 0.061 0.000 1.863 79 N CA 0.100 53.173 53.050 0.039 0.000 0.918 79 N CB -0.133 38.373 38.487 0.032 0.000 1.320 79 N HN -0.123 nan 8.380 nan 0.000 0.490 80 A N 0.447 123.310 122.820 0.072 0.000 1.940 80 A HA -0.237 4.071 4.320 -0.021 0.000 0.221 80 A C 1.951 179.614 177.584 0.131 0.000 1.190 80 A CA 1.690 53.798 52.037 0.117 0.000 0.647 80 A CB -0.497 18.556 19.000 0.088 0.000 0.821 80 A HN 0.617 nan 8.150 nan 0.000 0.457 81 E N 0.051 120.296 120.200 0.074 0.000 2.048 81 E HA -0.275 4.063 4.350 -0.021 0.000 0.202 81 E C 2.331 178.987 176.600 0.095 0.000 1.021 81 E CA 2.238 58.676 56.400 0.063 0.000 0.825 81 E CB -0.228 29.485 29.700 0.022 0.000 0.756 81 E HN 0.786 nan 8.360 nan 0.000 0.454 82 S N -0.000 115.736 115.700 0.060 0.000 2.419 82 S HA -0.167 4.290 4.470 -0.021 0.000 0.235 82 S C 1.768 176.368 174.600 0.000 0.000 1.019 82 S CA 0.998 59.218 58.200 0.033 0.000 0.982 82 S CB -0.164 63.048 63.200 0.020 0.000 0.789 82 S HN 0.206 nan 8.310 nan 0.000 0.490 83 L N 1.015 122.233 121.223 -0.009 0.000 2.592 83 L HA 0.284 4.612 4.340 -0.021 0.000 0.227 83 L C 2.175 178.894 176.870 -0.252 0.000 1.127 83 L CA 0.525 55.242 54.840 -0.206 0.000 0.884 83 L CB -0.864 41.033 42.059 -0.269 0.000 1.065 83 L HN 0.501 nan 8.230 nan 0.000 0.457 84 H N -1.215 117.835 119.070 -0.033 0.000 2.321 84 H HA -0.161 4.383 4.556 -0.021 0.000 0.300 84 H C 2.243 177.581 175.328 0.017 0.000 1.087 84 H CA 1.674 57.778 56.048 0.093 0.000 1.319 84 H CB 0.487 30.307 29.762 0.098 0.000 1.379 84 H HN 0.332 nan 8.280 nan 0.000 0.501 85 S N -0.511 115.149 115.700 -0.067 0.000 2.383 85 S HA -0.153 4.305 4.470 -0.021 0.000 0.229 85 S C 2.063 176.569 174.600 -0.158 0.000 1.030 85 S CA 1.931 60.068 58.200 -0.105 0.000 1.002 85 S CB -0.381 62.800 63.200 -0.033 0.000 0.829 85 S HN 0.581 nan 8.310 nan 0.000 0.467 86 T N 1.780 116.188 114.554 -0.243 0.000 2.614 86 T HA -0.066 4.271 4.350 -0.021 0.000 0.263 86 T C 1.397 175.948 174.700 -0.248 0.000 1.055 86 T CA 1.807 63.729 62.100 -0.298 0.000 1.162 86 T CB -0.724 67.865 68.868 -0.465 0.000 0.863 86 T HN 0.470 nan 8.240 nan 0.000 0.414 87 F N 2.070 121.965 119.950 -0.092 0.000 2.120 87 F HA -0.134 4.381 4.527 -0.021 0.000 0.300 87 F C 2.793 178.514 175.800 -0.131 0.000 1.095 87 F CA 0.714 58.648 58.000 -0.111 0.000 1.249 87 F CB -1.101 37.833 39.000 -0.110 0.000 0.995 87 F HN 0.093 nan 8.300 nan 0.000 0.480 88 Q N 0.371 120.144 119.800 -0.046 0.000 2.030 88 Q HA -0.249 4.079 4.340 -0.021 0.000 0.204 88 Q C 2.257 178.248 176.000 -0.014 0.000 0.986 88 Q CA 1.844 57.600 55.803 -0.078 0.000 0.843 88 Q CB -0.761 27.868 28.738 -0.181 0.000 0.904 88 Q HN 0.400 nan 8.270 nan 0.000 0.420 89 E N 0.739 120.924 120.200 -0.024 0.000 2.118 89 E HA -0.139 4.198 4.350 -0.021 0.000 0.195 89 E C 1.912 178.535 176.600 0.040 0.000 0.992 89 E CA 0.973 57.377 56.400 0.007 0.000 0.804 89 E CB -0.296 29.404 29.700 -0.001 0.000 0.741 89 E HN 0.373 nan 8.360 nan 0.000 0.458 90 I N 0.460 121.056 120.570 0.044 0.000 2.202 90 I HA -0.228 3.930 4.170 -0.021 0.000 0.242 90 I C 1.892 178.066 176.117 0.096 0.000 1.091 90 I CA 1.222 62.561 61.300 0.065 0.000 1.368 90 I CB -0.253 37.780 38.000 0.055 0.000 1.058 90 I HN 0.085 nan 8.210 nan 0.000 0.410 91 D N 0.604 121.062 120.400 0.098 0.000 2.092 91 D HA -0.210 4.418 4.640 -0.021 0.000 0.193 91 D C 2.189 178.581 176.300 0.153 0.000 0.994 91 D CA 1.056 55.153 54.000 0.161 0.000 0.828 91 D CB -0.323 40.549 40.800 0.120 0.000 0.963 91 D HN 0.155 nan 8.370 nan 0.000 0.450 92 R N 0.345 120.896 120.500 0.085 0.000 2.136 92 R HA -0.182 4.145 4.340 -0.021 0.000 0.242 92 R C 2.365 178.686 176.300 0.036 0.000 1.131 92 R CA 1.414 57.541 56.100 0.046 0.000 0.937 92 R CB -0.497 29.816 30.300 0.021 0.000 0.863 92 R HN 0.230 nan 8.270 nan 0.000 0.435 93 L N -0.207 121.054 121.223 0.064 0.000 2.249 93 L HA -0.039 4.289 4.340 -0.021 0.000 0.207 93 L C 2.462 179.434 176.870 0.171 0.000 1.090 93 L CA 0.161 55.040 54.840 0.066 0.000 0.802 93 L CB -0.079 42.067 42.059 0.145 0.000 0.947 93 L HN 0.052 nan 8.230 nan 0.000 0.453 94 V N 0.539 120.572 119.914 0.198 0.000 2.295 94 V HA -0.295 3.813 4.120 -0.021 0.000 0.246 94 V C 2.341 178.640 176.094 0.341 0.000 1.049 94 V CA 1.899 64.341 62.300 0.238 0.000 1.024 94 V CB -0.278 31.628 31.823 0.138 0.000 0.648 94 V HN 0.289 nan 8.190 nan 0.000 0.447 95 I N 0.603 121.346 120.570 0.289 0.000 2.179 95 I HA -0.174 3.984 4.170 -0.021 0.000 0.242 95 I C 2.650 178.773 176.117 0.009 0.000 1.088 95 I CA 1.798 63.182 61.300 0.142 0.000 1.357 95 I CB -1.049 36.989 38.000 0.064 0.000 1.051 95 I HN 0.393 nan 8.210 nan 0.000 0.409 96 G N 0.106 108.882 108.800 -0.040 0.000 2.491 96 G HA2 -0.288 3.659 3.960 -0.021 0.000 0.218 96 G HA3 -0.288 3.659 3.960 -0.021 0.000 0.218 96 G C 1.480 176.265 174.900 -0.192 0.000 1.180 96 G CA 0.899 45.889 45.100 -0.183 0.000 0.774 96 G HN 0.279 nan 8.290 nan 0.000 0.562 97 Y N 1.440 121.778 120.300 0.065 0.000 2.373 97 Y HA 0.084 4.621 4.550 -0.021 0.000 0.293 97 Y C 2.944 178.923 175.900 0.131 0.000 1.129 97 Y CA 0.235 58.388 58.100 0.089 0.000 1.226 97 Y CB -0.690 37.881 38.460 0.185 0.000 1.000 97 Y HN 0.197 nan 8.280 nan 0.000 0.549 98 G N -0.408 108.564 108.800 0.287 0.000 2.421 98 G HA2 -0.223 3.725 3.960 -0.021 0.000 0.216 98 G HA3 -0.223 3.725 3.960 -0.021 0.000 0.216 98 G C 1.858 176.832 174.900 0.123 0.000 1.171 98 G CA 1.382 46.644 45.100 0.269 0.000 0.775 98 G HN 0.260 nan 8.290 nan 0.000 0.543 99 V N 0.765 120.666 119.914 -0.023 0.000 2.255 99 V HA -0.226 3.882 4.120 -0.021 0.000 0.247 99 V C 3.085 179.159 176.094 -0.033 0.000 1.051 99 V CA 1.790 64.049 62.300 -0.070 0.000 1.018 99 V CB -0.734 31.020 31.823 -0.116 0.000 0.641 99 V HN 0.261 nan 8.190 nan 0.000 0.445 100 V N 0.498 120.388 119.914 -0.040 0.000 2.324 100 V HA -0.324 3.783 4.120 -0.021 0.000 0.250 100 V C 2.700 178.814 176.094 0.034 0.000 1.060 100 V CA 2.228 64.465 62.300 -0.104 0.000 1.042 100 V CB -1.379 30.275 31.823 -0.281 0.000 0.650 100 V HN 0.583 nan 8.190 nan 0.000 0.450 101 A N -0.621 122.316 122.820 0.194 0.000 1.972 101 A HA -0.036 4.272 4.320 -0.021 0.000 0.219 101 A C 1.912 179.719 177.584 0.372 0.000 1.169 101 A CA 1.357 53.600 52.037 0.344 0.000 0.635 101 A CB -0.394 18.818 19.000 0.353 0.000 0.810 101 A HN 0.537 nan 8.150 nan 0.000 0.446 102 L N -0.958 120.346 121.223 0.134 0.000 2.848 102 L HA 0.168 4.495 4.340 -0.021 0.000 0.240 102 L C 1.480 178.250 176.870 -0.166 0.000 1.232 102 L CA 0.076 54.867 54.840 -0.081 0.000 1.031 102 L CB -0.000 41.907 42.059 -0.253 0.000 1.338 102 L HN 0.502 nan 8.230 nan 0.000 0.509 103 Q N -0.626 119.208 119.800 0.057 0.000 2.519 103 Q HA 0.255 4.583 4.340 -0.021 0.000 0.248 103 Q C -0.400 175.752 176.000 0.253 0.000 0.804 103 Q CA 0.078 55.901 55.803 0.033 0.000 0.979 103 Q CB 1.858 30.586 28.738 -0.017 0.000 1.282 103 Q HN 0.203 nan 8.270 nan 0.000 0.558 104 I N 0.667 121.440 120.570 0.339 0.000 2.498 104 I HA 0.108 4.265 4.170 -0.021 0.000 0.290 104 I C 0.691 176.919 176.117 0.185 0.000 1.032 104 I CA -0.412 61.076 61.300 0.314 0.000 1.073 104 I CB 2.017 40.105 38.000 0.146 0.000 1.251 104 I HN -0.023 nan 8.210 nan 0.000 0.426 105 E N 4.000 124.136 120.200 -0.107 0.000 2.085 105 E HA -0.206 4.132 4.350 -0.021 0.000 0.194 105 E C 0.709 177.150 176.600 -0.265 0.000 0.994 105 E CA 1.970 57.988 56.400 -0.636 0.000 0.801 105 E CB 0.083 29.457 29.700 -0.542 0.000 0.743 105 E HN 0.674 nan 8.360 nan 0.000 0.453 106 N N -0.920 117.744 118.700 -0.060 0.000 2.276 106 N HA 0.121 4.849 4.740 -0.021 0.000 0.212 106 N C 0.289 175.846 175.510 0.078 0.000 1.127 106 N CA -0.175 52.865 53.050 -0.017 0.000 0.834 106 N CB -0.006 38.465 38.487 -0.026 0.000 1.014 106 N HN 0.159 nan 8.380 nan 0.000 0.491 107 F N 0.673 120.632 119.950 0.014 0.000 2.026 107 F HA -0.121 4.393 4.527 -0.021 0.000 0.296 107 F C 0.751 176.574 175.800 0.038 0.000 1.133 107 F CA 0.739 58.769 58.000 0.050 0.000 1.188 107 F CB 0.012 39.075 39.000 0.105 0.000 0.968 107 F HN -0.051 nan 8.300 nan 0.000 0.476 108 C N 1.495 120.790 119.300 -0.008 0.000 2.657 108 C HA 0.135 4.582 4.460 -0.021 0.000 0.404 108 C C 1.281 176.229 174.990 -0.071 0.000 1.291 108 C CA -0.583 58.373 59.018 -0.103 0.000 2.218 108 C CB 0.769 28.572 27.740 0.104 0.000 2.687 108 C HN 0.538 nan 8.230 nan 0.000 0.634 109 M N 2.485 122.021 119.600 -0.107 0.000 2.419 109 M HA 0.225 4.693 4.480 -0.021 0.000 0.252 109 M C -0.220 176.059 176.300 -0.034 0.000 1.143 109 M CA 0.335 55.592 55.300 -0.071 0.000 0.985 109 M CB -0.959 31.585 32.600 -0.093 0.000 1.489 109 M HN 0.588 nan 8.290 nan 0.000 0.484 110 N N 0.171 118.876 118.700 0.009 0.000 2.284 110 N HA 0.694 5.421 4.740 -0.021 0.000 0.300 110 N C 0.014 175.606 175.510 0.136 0.000 1.047 110 N CA 0.473 53.551 53.050 0.046 0.000 0.821 110 N CB 1.591 40.100 38.487 0.036 0.000 1.337 110 N HN 0.331 nan 8.380 nan 0.000 0.482 111 G N 0.343 109.177 108.800 0.058 0.000 2.828 111 G HA2 0.290 4.238 3.960 -0.021 0.000 0.463 111 G HA3 0.290 4.238 3.960 -0.021 0.000 0.463 111 G C -1.025 173.720 174.900 -0.257 0.000 1.394 111 G CA -0.228 44.852 45.100 -0.033 0.000 0.862 111 G HN 0.897 nan 8.290 nan 0.000 0.540 112 A N -1.680 120.769 122.820 -0.618 0.000 2.535 112 A HA 0.857 5.165 4.320 -0.021 0.000 0.296 112 A C 0.784 177.784 177.584 -0.973 0.000 1.248 112 A CA 0.347 51.956 52.037 -0.713 0.000 0.686 112 A CB 0.166 18.911 19.000 -0.425 0.000 1.315 112 A HN 1.260 nan 8.150 nan 0.000 0.460 113 F N -0.325 119.305 119.950 -0.533 0.000 2.091 113 F HA -0.162 4.353 4.527 -0.021 0.000 0.299 113 F C 2.128 177.686 175.800 -0.403 0.000 1.103 113 F CA 1.868 59.621 58.000 -0.412 0.000 1.228 113 F CB -0.814 38.047 39.000 -0.231 0.000 0.984 113 F HN 0.507 nan 8.300 nan 0.000 0.477 114 I N 1.031 121.513 120.570 -0.146 0.000 2.151 114 I HA -0.331 3.827 4.170 -0.021 0.000 0.243 114 I C 2.122 178.122 176.117 -0.194 0.000 1.080 114 I CA 1.757 62.944 61.300 -0.189 0.000 1.339 114 I CB -0.733 37.149 38.000 -0.198 0.000 1.039 114 I HN 0.130 nan 8.210 nan 0.000 0.409 115 N N -0.344 118.236 118.700 -0.201 0.000 2.188 115 N HA -0.209 4.519 4.740 -0.021 0.000 0.184 115 N C 1.880 177.417 175.510 0.045 0.000 1.018 115 N CA 1.519 54.529 53.050 -0.067 0.000 0.858 115 N CB -0.510 37.961 38.487 -0.026 0.000 0.989 115 N HN 0.404 nan 8.380 nan 0.000 0.426 116 Y N 1.203 121.495 120.300 -0.013 0.000 2.242 116 Y HA -0.008 4.530 4.550 -0.021 0.000 0.291 116 Y C 2.316 178.081 175.900 -0.226 0.000 1.137 116 Y CA -0.183 57.881 58.100 -0.060 0.000 1.181 116 Y CB -0.859 37.513 38.460 -0.147 0.000 0.989 116 Y HN -0.072 nan 8.280 nan 0.000 0.527 117 I N -0.264 120.218 120.570 -0.146 0.000 2.315 117 I HA -0.228 3.929 4.170 -0.021 0.000 0.248 117 I C 2.254 178.142 176.117 -0.382 0.000 1.117 117 I CA 1.504 62.617 61.300 -0.312 0.000 1.404 117 I CB -0.876 36.913 38.000 -0.352 0.000 1.071 117 I HN 0.134 nan 8.210 nan 0.000 0.419 118 T N -0.019 114.360 114.554 -0.292 0.000 2.684 118 T HA -0.155 4.182 4.350 -0.021 0.000 0.267 118 T C 1.991 176.615 174.700 -0.128 0.000 1.036 118 T CA 1.584 63.532 62.100 -0.253 0.000 1.148 118 T CB -0.927 67.953 68.868 0.021 0.000 0.863 118 T HN 0.536 nan 8.240 nan 0.000 0.436 119 G N 1.026 109.811 108.800 -0.025 0.000 2.442 119 G HA2 -0.156 3.792 3.960 -0.021 0.000 0.219 119 G HA3 -0.156 3.792 3.960 -0.021 0.000 0.219 119 G C 1.526 176.358 174.900 -0.113 0.000 1.141 119 G CA 0.581 45.714 45.100 0.055 0.000 0.763 119 G HN 0.496 nan 8.290 nan 0.000 0.554 120 I N 0.255 120.596 120.570 -0.381 0.000 2.233 120 I HA -0.122 4.036 4.170 -0.021 0.000 0.243 120 I C 2.771 178.761 176.117 -0.212 0.000 1.093 120 I CA 0.409 61.368 61.300 -0.567 0.000 1.380 120 I CB -0.378 37.301 38.000 -0.534 0.000 1.067 120 I HN 0.012 nan 8.210 nan 0.000 0.413 121 V N 0.621 120.387 119.914 -0.247 0.000 2.324 121 V HA -0.322 3.786 4.120 -0.021 0.000 0.250 121 V C 2.530 178.619 176.094 -0.008 0.000 1.060 121 V CA 2.350 64.554 62.300 -0.159 0.000 1.042 121 V CB -0.892 30.692 31.823 -0.400 0.000 0.650 121 V HN 0.398 nan 8.190 nan 0.000 0.450 122 S N -0.451 115.259 115.700 0.017 0.000 2.399 122 S HA -0.114 4.344 4.470 -0.021 0.000 0.231 122 S C 1.305 175.983 174.600 0.129 0.000 1.022 122 S CA 1.285 59.547 58.200 0.102 0.000 0.983 122 S CB -0.199 63.076 63.200 0.124 0.000 0.803 122 S HN 0.628 nan 8.310 nan 0.000 0.480 123 N N 0.388 119.193 118.700 0.175 0.000 2.700 123 N HA 0.177 4.905 4.740 -0.021 0.000 0.242 123 N C 0.246 175.942 175.510 0.311 0.000 1.541 123 N CA -0.002 53.178 53.050 0.217 0.000 0.764 123 N CB 0.936 39.557 38.487 0.224 0.000 1.319 123 N HN 0.037 nan 8.380 nan 0.000 0.518 124 V N 1.407 121.446 119.914 0.210 0.000 2.392 124 V HA -0.220 3.888 4.120 -0.021 0.000 0.249 124 V C 1.637 177.871 176.094 0.232 0.000 1.059 124 V CA 1.833 64.261 62.300 0.214 0.000 1.051 124 V CB -0.122 31.780 31.823 0.131 0.000 0.658 124 V HN 0.432 nan 8.190 nan 0.000 0.455 125 N N -0.031 118.768 118.700 0.166 0.000 2.364 125 N HA -0.095 4.633 4.740 -0.021 0.000 0.183 125 N C 1.889 177.471 175.510 0.120 0.000 1.022 125 N CA 1.578 54.703 53.050 0.125 0.000 0.883 125 N CB -0.279 38.258 38.487 0.083 0.000 0.965 125 N HN 0.428 nan 8.380 nan 0.000 0.438 126 S N -0.943 114.834 115.700 0.128 0.000 2.496 126 S HA 0.066 4.523 4.470 -0.021 0.000 0.224 126 S C 0.740 175.315 174.600 -0.042 0.000 0.996 126 S CA 0.304 58.514 58.200 0.018 0.000 0.927 126 S CB 0.059 63.224 63.200 -0.059 0.000 0.774 126 S HN 0.418 nan 8.310 nan 0.000 0.524 127 Y N -0.248 120.127 120.300 0.125 0.000 2.445 127 Y HA 0.216 4.754 4.550 -0.021 0.000 0.247 127 Y C 2.395 178.391 175.900 0.160 0.000 1.129 127 Y CA -0.095 58.112 58.100 0.179 0.000 1.251 127 Y CB 0.016 38.609 38.460 0.223 0.000 1.176 127 Y HN 0.101 nan 8.280 nan 0.000 0.522 128 T N -0.099 114.612 114.554 0.260 0.000 2.737 128 T HA -0.154 4.183 4.350 -0.021 0.000 0.265 128 T C 1.419 176.203 174.700 0.139 0.000 1.038 128 T CA 2.155 64.362 62.100 0.178 0.000 1.144 128 T CB -0.185 68.769 68.868 0.144 0.000 0.866 128 T HN 0.259 nan 8.240 nan 0.000 0.434 129 D N 0.500 120.999 120.400 0.165 0.000 2.104 129 D HA -0.074 4.553 4.640 -0.021 0.000 0.194 129 D C 1.702 178.055 176.300 0.088 0.000 0.994 129 D CA 0.838 54.950 54.000 0.187 0.000 0.830 129 D CB -0.582 40.396 40.800 0.297 0.000 0.959 129 D HN 0.358 nan 8.370 nan 0.000 0.452 130 F N 1.409 121.206 119.950 -0.255 0.000 2.095 130 F HA -0.131 4.383 4.527 -0.021 0.000 0.298 130 F C 2.203 177.794 175.800 -0.348 0.000 1.104 130 F CA 1.033 58.603 58.000 -0.717 0.000 1.232 130 F CB -0.662 38.006 39.000 -0.553 0.000 0.987 130 F HN -0.092 nan 8.300 nan 0.000 0.475 131 L N -0.734 120.391 121.223 -0.164 0.000 2.046 131 L HA -0.252 4.076 4.340 -0.021 0.000 0.208 131 L C 2.798 179.482 176.870 -0.310 0.000 1.077 131 L CA 1.662 56.351 54.840 -0.251 0.000 0.747 131 L CB -0.882 41.130 42.059 -0.079 0.000 0.896 131 L HN 0.290 nan 8.230 nan 0.000 0.432 132 S N -0.864 114.745 115.700 -0.150 0.000 2.356 132 S HA -0.218 4.239 4.470 -0.021 0.000 0.223 132 S C 2.006 176.520 174.600 -0.144 0.000 1.032 132 S CA 1.102 59.273 58.200 -0.047 0.000 1.005 132 S CB -0.076 63.205 63.200 0.135 0.000 0.867 132 S HN 0.378 nan 8.310 nan 0.000 0.449 133 Q N 0.742 120.448 119.800 -0.156 0.000 2.135 133 Q HA -0.011 4.317 4.340 -0.021 0.000 0.204 133 Q C 2.257 178.089 176.000 -0.280 0.000 0.981 133 Q CA 1.369 57.070 55.803 -0.169 0.000 0.856 133 Q CB -0.601 28.049 28.738 -0.145 0.000 0.902 133 Q HN 0.652 nan 8.270 nan 0.000 0.425 134 I N 0.174 120.493 120.570 -0.418 0.000 2.179 134 I HA -0.277 3.880 4.170 -0.021 0.000 0.242 134 I C 2.189 178.084 176.117 -0.369 0.000 1.088 134 I CA 0.911 61.965 61.300 -0.410 0.000 1.357 134 I CB -0.254 37.449 38.000 -0.495 0.000 1.051 134 I HN 0.117 nan 8.210 nan 0.000 0.409 135 I N 0.300 120.572 120.570 -0.496 0.000 2.163 135 I HA -0.352 3.806 4.170 -0.021 0.000 0.243 135 I C 2.675 178.437 176.117 -0.593 0.000 1.085 135 I CA 1.545 62.466 61.300 -0.631 0.000 1.347 135 I CB -0.383 36.978 38.000 -1.064 0.000 1.044 135 I HN 0.309 nan 8.210 nan 0.000 0.408 136 Q N 0.842 120.296 119.800 -0.576 0.000 2.124 136 Q HA -0.265 4.063 4.340 -0.021 0.000 0.202 136 Q C 2.252 178.132 176.000 -0.200 0.000 0.977 136 Q CA 1.569 57.165 55.803 -0.346 0.000 0.850 136 Q CB 0.005 28.654 28.738 -0.148 0.000 0.901 136 Q HN 0.239 nan 8.270 nan 0.000 0.429 137 R N 0.060 120.444 120.500 -0.194 0.000 2.073 137 R HA 0.008 4.336 4.340 -0.021 0.000 0.229 137 R C 1.939 178.159 176.300 -0.132 0.000 1.120 137 R CA 1.622 57.640 56.100 -0.136 0.000 0.967 137 R CB -0.742 29.479 30.300 -0.133 0.000 0.862 137 R HN 0.305 nan 8.270 nan 0.000 0.436 138 A N 0.481 123.205 122.820 -0.161 0.000 1.930 138 A HA -0.061 4.247 4.320 -0.021 0.000 0.217 138 A C 2.269 179.787 177.584 -0.111 0.000 1.175 138 A CA 1.520 53.479 52.037 -0.130 0.000 0.627 138 A CB -0.569 18.353 19.000 -0.130 0.000 0.815 138 A HN 0.376 nan 8.150 nan 0.000 0.443 139 I N -0.308 120.181 120.570 -0.135 0.000 2.179 139 I HA -0.259 3.899 4.170 -0.021 0.000 0.242 139 I C 2.230 178.309 176.117 -0.063 0.000 1.088 139 I CA 1.169 62.414 61.300 -0.093 0.000 1.357 139 I CB -0.252 37.690 38.000 -0.096 0.000 1.051 139 I HN 0.281 nan 8.210 nan 0.000 0.409 140 L N 0.047 121.230 121.223 -0.067 0.000 2.201 140 L HA -0.173 4.155 4.340 -0.021 0.000 0.212 140 L C 1.779 178.623 176.870 -0.044 0.000 1.105 140 L CA 1.251 56.065 54.840 -0.044 0.000 0.775 140 L CB -0.430 41.606 42.059 -0.038 0.000 0.913 140 L HN 0.285 nan 8.230 nan 0.000 0.440 141 E N -0.394 119.772 120.200 -0.056 0.000 2.474 141 E HA 0.142 4.480 4.350 -0.021 0.000 0.195 141 E C 1.049 177.621 176.600 -0.048 0.000 1.039 141 E CA 0.413 56.782 56.400 -0.052 0.000 0.881 141 E CB 0.506 30.168 29.700 -0.064 0.000 0.970 141 E HN 0.416 nan 8.360 nan 0.000 0.486 142 G N 1.954 110.726 108.800 -0.047 0.000 2.212 142 G HA2 -0.272 3.676 3.960 -0.021 0.000 0.255 142 G HA3 -0.272 3.676 3.960 -0.021 0.000 0.255 142 G C 0.571 175.444 174.900 -0.044 0.000 1.062 142 G CA 0.775 45.851 45.100 -0.040 0.000 0.815 142 G HN 0.285 nan 8.290 nan 0.000 0.497 143 T N -1.669 112.853 114.554 -0.054 0.000 3.393 143 T HA 0.620 4.958 4.350 -0.021 0.000 0.298 143 T C 2.122 176.785 174.700 -0.061 0.000 1.004 143 T CA 1.333 63.399 62.100 -0.056 0.000 0.956 143 T CB -0.395 68.437 68.868 -0.060 0.000 1.182 143 T HN 1.291 nan 8.240 nan 0.000 0.497 144 A N 1.141 123.927 122.820 -0.056 0.000 1.917 144 A HA -0.017 4.290 4.320 -0.021 0.000 0.219 144 A C 1.986 179.544 177.584 -0.044 0.000 1.182 144 A CA 1.627 53.636 52.037 -0.047 0.000 0.633 144 A CB -0.682 18.298 19.000 -0.033 0.000 0.819 144 A HN 0.557 nan 8.150 nan 0.000 0.448 145 L N -0.055 121.134 121.223 -0.056 0.000 2.093 145 L HA -0.139 4.189 4.340 -0.021 0.000 0.208 145 L C 1.611 178.427 176.870 -0.091 0.000 1.085 145 L CA 2.309 57.101 54.840 -0.079 0.000 0.755 145 L CB -0.610 41.402 42.059 -0.079 0.000 0.904 145 L HN 0.332 nan 8.230 nan 0.000 0.435 146 D N -0.519 119.834 120.400 -0.077 0.000 2.123 146 D HA -0.222 4.405 4.640 -0.021 0.000 0.196 146 D C 2.161 178.385 176.300 -0.126 0.000 0.992 146 D CA 1.527 55.477 54.000 -0.084 0.000 0.833 146 D CB -0.236 40.528 40.800 -0.060 0.000 0.954 146 D HN 0.307 nan 8.370 nan 0.000 0.455 147 L N 0.829 121.986 121.223 -0.111 0.000 1.989 147 L HA -0.137 4.191 4.340 -0.021 0.000 0.211 147 L C 2.270 179.036 176.870 -0.172 0.000 1.071 147 L CA 1.488 56.253 54.840 -0.125 0.000 0.749 147 L CB -0.780 41.258 42.059 -0.034 0.000 0.890 147 L HN 0.018 nan 8.230 nan 0.000 0.431 148 L N -0.359 120.792 121.223 -0.119 0.000 2.083 148 L HA -0.212 4.116 4.340 -0.021 0.000 0.209 148 L C 2.152 178.900 176.870 -0.203 0.000 1.083 148 L CA 1.163 55.916 54.840 -0.144 0.000 0.752 148 L CB -0.767 41.185 42.059 -0.178 0.000 0.899 148 L HN 0.386 nan 8.230 nan 0.000 0.433 149 N N -0.146 118.432 118.700 -0.205 0.000 2.459 149 N HA -0.042 4.685 4.740 -0.021 0.000 0.181 149 N C 1.691 177.047 175.510 -0.258 0.000 1.046 149 N CA 1.115 54.050 53.050 -0.190 0.000 0.904 149 N CB 0.175 38.585 38.487 -0.129 0.000 0.964 149 N HN 0.309 nan 8.380 nan 0.000 0.444 150 A N -0.126 122.443 122.820 -0.419 0.000 1.943 150 A HA 0.061 4.369 4.320 -0.021 0.000 0.213 150 A C 2.343 179.505 177.584 -0.704 0.000 1.181 150 A CA 0.632 52.193 52.037 -0.794 0.000 0.653 150 A CB -0.222 17.986 19.000 -1.321 0.000 0.833 150 A HN 0.058 nan 8.150 nan 0.000 0.451 151 V N -1.345 118.197 119.914 -0.620 0.000 2.300 151 V HA -0.102 4.005 4.120 -0.021 0.000 0.241 151 V C 2.236 177.835 176.094 -0.825 0.000 1.034 151 V CA 1.715 63.550 62.300 -0.775 0.000 1.021 151 V CB -0.921 30.313 31.823 -0.982 0.000 0.662 151 V HN 0.529 nan 8.190 nan 0.000 0.458 152 F N 0.054 119.705 119.950 -0.498 0.000 2.163 152 F HA 0.030 4.544 4.527 -0.021 0.000 0.297 152 F C -0.071 175.575 175.800 -0.257 0.000 1.094 152 F CA 1.234 58.979 58.000 -0.424 0.000 1.290 152 F CB -1.940 36.747 39.000 -0.522 0.000 1.017 152 F HN 0.270 nan 8.300 nan 0.000 0.483 153 P HA -0.093 nan 4.420 nan 0.000 0.218 153 P C 1.555 178.808 177.300 -0.078 0.000 1.149 153 P CA 1.750 64.814 63.100 -0.059 0.000 0.817 153 P CB -0.208 31.460 31.700 -0.054 0.000 0.785 154 T N -0.266 114.198 114.554 -0.150 0.000 2.788 154 T HA -0.105 4.233 4.350 -0.021 0.000 0.268 154 T C 1.581 176.198 174.700 -0.138 0.000 1.044 154 T CA 0.841 62.859 62.100 -0.137 0.000 1.139 154 T CB -0.739 68.016 68.868 -0.188 0.000 0.867 154 T HN -0.024 nan 8.240 nan 0.000 0.454 155 L N 0.704 121.803 121.223 -0.206 0.000 2.217 155 L HA 0.144 4.472 4.340 -0.021 0.000 0.211 155 L C 1.941 178.801 176.870 -0.016 0.000 1.107 155 L CA 1.023 55.780 54.840 -0.139 0.000 0.783 155 L CB -0.788 41.103 42.059 -0.279 0.000 0.919 155 L HN 0.150 nan 8.230 nan 0.000 0.442 156 L N -0.211 121.006 121.223 -0.010 0.000 1.955 156 L HA -0.238 4.090 4.340 -0.021 0.000 0.213 156 L C 2.543 179.406 176.870 -0.012 0.000 1.072 156 L CA 1.957 56.802 54.840 0.007 0.000 0.755 156 L CB -0.940 41.134 42.059 0.026 0.000 0.888 156 L HN 0.411 nan 8.230 nan 0.000 0.432 157 E N -1.605 118.593 120.200 -0.004 0.000 2.086 157 E HA -0.343 3.995 4.350 -0.021 0.000 0.200 157 E C 2.298 178.904 176.600 0.008 0.000 1.012 157 E CA 1.969 58.374 56.400 0.007 0.000 0.812 157 E CB -0.405 29.299 29.700 0.007 0.000 0.743 157 E HN 0.589 nan 8.360 nan 0.000 0.453 158 Y N 0.613 120.831 120.300 -0.136 0.000 2.193 158 Y HA -0.293 4.245 4.550 -0.021 0.000 0.285 158 Y C 2.301 178.176 175.900 -0.042 0.000 1.166 158 Y CA 1.857 59.870 58.100 -0.145 0.000 1.181 158 Y CB -0.473 37.874 38.460 -0.188 0.000 0.976 158 Y HN 0.162 nan 8.280 nan 0.000 0.520 159 C N 0.729 119.927 119.300 -0.171 0.000 2.446 159 C HA -0.076 4.371 4.460 -0.021 0.000 0.279 159 C C 2.260 177.158 174.990 -0.153 0.000 1.366 159 C CA 1.051 59.889 59.018 -0.300 0.000 1.763 159 C CB -1.064 26.344 27.740 -0.554 0.000 1.929 159 C HN 0.632 nan 8.230 nan 0.000 0.509 160 N N 0.432 119.075 118.700 -0.095 0.000 2.415 160 N HA 0.013 4.740 4.740 -0.021 0.000 0.174 160 N C 1.547 177.026 175.510 -0.051 0.000 1.048 160 N CA 0.727 53.747 53.050 -0.050 0.000 0.895 160 N CB 0.010 38.482 38.487 -0.025 0.000 1.036 160 N HN 0.485 nan 8.380 nan 0.000 0.449 161 K N -0.243 120.146 120.400 -0.018 0.000 2.435 161 K HA 0.204 4.512 4.320 -0.021 0.000 0.199 161 K C 0.966 177.543 176.600 -0.039 0.000 1.153 161 K CA 0.263 56.556 56.287 0.010 0.000 0.974 161 K CB 0.424 32.988 32.500 0.107 0.000 0.997 161 K HN 0.320 nan 8.250 nan 0.000 0.547 162 H N 0.085 119.014 119.070 -0.236 0.000 2.705 162 H HA 0.206 4.749 4.556 -0.021 0.000 0.269 162 H C -0.046 175.115 175.328 -0.279 0.000 0.998 162 H CA 0.026 55.932 56.048 -0.236 0.000 1.193 162 H CB 1.230 30.878 29.762 -0.190 0.000 1.485 162 H HN -0.208 nan 8.280 nan 0.000 0.521 163 V N 0.315 120.102 119.914 -0.213 0.000 2.715 163 V HA 0.122 4.229 4.120 -0.021 0.000 0.310 163 V C 1.012 177.044 176.094 -0.104 0.000 1.054 163 V CA -0.488 61.742 62.300 -0.117 0.000 0.928 163 V CB 2.104 33.893 31.823 -0.056 0.000 1.007 163 V HN 0.150 nan 8.190 nan 0.000 0.437 164 S N 1.159 116.809 115.700 -0.084 0.000 2.368 164 S HA -0.051 4.407 4.470 -0.021 0.000 0.224 164 S C 0.191 174.473 174.600 -0.530 0.000 1.029 164 S CA 1.414 59.468 58.200 -0.242 0.000 0.988 164 S CB -0.219 62.924 63.200 -0.095 0.000 0.838 164 S HN 0.914 nan 8.310 nan 0.000 0.462 165 H N -1.382 117.717 119.070 0.047 0.000 3.018 165 H HA 0.349 4.892 4.556 -0.021 0.000 0.334 165 H C -1.399 173.998 175.328 0.115 0.000 0.983 165 H CA -0.729 55.358 56.048 0.065 0.000 1.363 165 H CB 0.551 30.332 29.762 0.031 0.000 1.668 165 H HN 0.144 nan 8.280 nan 0.000 0.513 166 F N 5.035 125.034 119.950 0.082 0.000 2.468 166 F HA 0.245 4.759 4.527 -0.021 0.000 0.356 166 F C -0.363 175.488 175.800 0.085 0.000 1.167 166 F CA -0.034 58.021 58.000 0.092 0.000 1.135 166 F CB -0.313 38.733 39.000 0.076 0.000 1.197 166 F HN 0.717 nan 8.300 nan 0.000 0.569 167 D N 3.191 123.424 120.400 -0.278 0.000 2.692 167 D HA 0.107 4.735 4.640 -0.021 0.000 0.303 167 D C 0.095 176.192 176.300 -0.339 0.000 1.278 167 D CA -0.711 53.128 54.000 -0.268 0.000 0.852 167 D CB 0.328 41.071 40.800 -0.094 0.000 1.375 167 D HN 0.216 nan 8.370 nan 0.000 0.453 168 L N 0.383 121.399 121.223 -0.346 0.000 2.265 168 L HA -0.008 4.320 4.340 -0.021 0.000 0.215 168 L C 1.493 178.328 176.870 -0.057 0.000 1.117 168 L CA 1.438 56.055 54.840 -0.371 0.000 0.782 168 L CB -1.052 40.816 42.059 -0.318 0.000 0.914 168 L HN 0.389 nan 8.230 nan 0.000 0.441 169 N N -0.167 118.510 118.700 -0.039 0.000 2.244 169 N HA -0.113 4.614 4.740 -0.021 0.000 0.183 169 N C 0.508 176.067 175.510 0.081 0.000 1.016 169 N CA 0.717 53.779 53.050 0.021 0.000 0.866 169 N CB -0.152 38.334 38.487 -0.002 0.000 0.980 169 N HN 0.343 nan 8.380 nan 0.000 0.430 170 E N 1.069 121.328 120.200 0.099 0.000 1.852 170 E HA 0.042 4.380 4.350 -0.021 0.000 0.276 170 E C 0.711 177.430 176.600 0.197 0.000 1.163 170 E CA -0.095 56.386 56.400 0.135 0.000 1.117 170 E CB 0.433 30.206 29.700 0.123 0.000 1.124 170 E HN 0.118 nan 8.360 nan 0.000 0.458 171 S N 1.500 117.277 115.700 0.129 0.000 2.354 171 S HA -0.156 4.301 4.470 -0.021 0.000 0.219 171 S C 1.924 176.389 174.600 -0.225 0.000 1.035 171 S CA 1.385 59.572 58.200 -0.021 0.000 1.037 171 S CB 0.106 63.312 63.200 0.010 0.000 0.956 171 S HN 0.329 nan 8.310 nan 0.000 0.428 172 V N 2.022 121.895 119.914 -0.070 0.000 2.252 172 V HA -0.201 3.907 4.120 -0.021 0.000 0.249 172 V C 2.350 178.441 176.094 -0.006 0.000 1.056 172 V CA 2.246 64.519 62.300 -0.045 0.000 1.022 172 V CB -0.722 31.117 31.823 0.026 0.000 0.641 172 V HN 0.505 nan 8.190 nan 0.000 0.445 173 I N -0.387 120.242 120.570 0.098 0.000 2.142 173 I HA -0.304 3.854 4.170 -0.021 0.000 0.240 173 I C 2.554 178.855 176.117 0.307 0.000 1.078 173 I CA 2.459 63.906 61.300 0.244 0.000 1.343 173 I CB -0.559 37.654 38.000 0.356 0.000 1.046 173 I HN 0.556 nan 8.210 nan 0.000 0.405 174 Y N 0.937 121.323 120.300 0.143 0.000 2.224 174 Y HA -0.191 4.346 4.550 -0.021 0.000 0.289 174 Y C 2.218 178.219 175.900 0.169 0.000 1.146 174 Y CA 1.342 59.486 58.100 0.074 0.000 1.182 174 Y CB -0.804 37.463 38.460 -0.321 0.000 0.983 174 Y HN 0.134 nan 8.280 nan 0.000 0.524 175 N N 1.007 119.440 118.700 -0.444 0.000 2.106 175 N HA -0.177 4.551 4.740 -0.021 0.000 0.188 175 N C 1.151 176.678 175.510 0.029 0.000 1.029 175 N CA 1.436 54.323 53.050 -0.272 0.000 0.848 175 N CB -0.345 37.921 38.487 -0.369 0.000 1.007 175 N HN 0.482 nan 8.380 nan 0.000 0.423 176 N N 0.917 119.658 118.700 0.068 0.000 2.188 176 N HA -0.075 4.653 4.740 -0.021 0.000 0.184 176 N C 1.930 177.564 175.510 0.207 0.000 1.018 176 N CA 0.467 53.591 53.050 0.124 0.000 0.858 176 N CB -0.590 37.960 38.487 0.106 0.000 0.989 176 N HN 0.016 nan 8.380 nan 0.000 0.426 177 V N 1.463 121.563 119.914 0.311 0.000 2.343 177 V HA -0.179 3.929 4.120 -0.021 0.000 0.247 177 V C 2.299 178.700 176.094 0.511 0.000 1.051 177 V CA 1.224 63.778 62.300 0.424 0.000 1.036 177 V CB -0.542 31.627 31.823 0.576 0.000 0.654 177 V HN 0.239 nan 8.190 nan 0.000 0.451 178 L N -0.446 121.034 121.223 0.429 0.000 2.046 178 L HA -0.186 4.142 4.340 -0.021 0.000 0.208 178 L C 2.623 179.700 176.870 0.345 0.000 1.077 178 L CA 1.980 57.045 54.840 0.375 0.000 0.747 178 L CB -1.031 41.197 42.059 0.282 0.000 0.896 178 L HN 0.331 nan 8.230 nan 0.000 0.432 179 T N 0.181 114.888 114.554 0.255 0.000 2.759 179 T HA -0.159 4.179 4.350 -0.021 0.000 0.269 179 T C 1.891 176.756 174.700 0.276 0.000 1.042 179 T CA 1.348 63.572 62.100 0.208 0.000 1.140 179 T CB -0.206 68.746 68.868 0.139 0.000 0.864 179 T HN 0.202 nan 8.240 nan 0.000 0.455 180 I N -0.003 120.756 120.570 0.315 0.000 2.113 180 I HA -0.146 4.012 4.170 -0.021 0.000 0.238 180 I C 2.038 178.477 176.117 0.536 0.000 1.070 180 I CA 1.496 63.006 61.300 0.351 0.000 1.332 180 I CB -0.495 37.601 38.000 0.160 0.000 1.044 180 I HN 0.159 nan 8.210 nan 0.000 0.402 181 F N 1.351 121.582 119.950 0.470 0.000 2.063 181 F HA -0.301 4.214 4.527 -0.021 0.000 0.298 181 F C 2.616 178.613 175.800 0.328 0.000 1.109 181 F CA 1.989 60.242 58.000 0.422 0.000 1.212 181 F CB -0.539 38.621 39.000 0.267 0.000 0.973 181 F HN 0.087 nan 8.300 nan 0.000 0.480 182 E N -0.169 120.320 120.200 0.481 0.000 2.051 182 E HA -0.251 4.087 4.350 -0.021 0.000 0.192 182 E C 2.096 178.896 176.600 0.333 0.000 0.991 182 E CA 1.324 57.954 56.400 0.384 0.000 0.799 182 E CB -0.435 29.393 29.700 0.214 0.000 0.748 182 E HN 0.276 nan 8.360 nan 0.000 0.449 183 L N 0.089 121.496 121.223 0.307 0.000 2.042 183 L HA -0.179 4.149 4.340 -0.021 0.000 0.210 183 L C 1.922 178.972 176.870 0.301 0.000 1.076 183 L CA 1.695 56.675 54.840 0.235 0.000 0.749 183 L CB -0.327 41.836 42.059 0.174 0.000 0.893 183 L HN 0.036 nan 8.230 nan 0.000 0.432 184 F N -1.881 118.258 119.950 0.315 0.000 2.098 184 F HA -0.112 4.402 4.527 -0.021 0.000 0.294 184 F C 2.437 178.407 175.800 0.283 0.000 1.107 184 F CA 1.610 59.811 58.000 0.335 0.000 1.234 184 F CB -0.545 38.669 39.000 0.356 0.000 1.002 184 F HN -0.191 nan 8.300 nan 0.000 0.472 185 V N -0.619 119.496 119.914 0.335 0.000 3.141 185 V HA -0.178 3.929 4.120 -0.021 0.000 0.265 185 V C 1.855 177.985 176.094 0.061 0.000 1.126 185 V CA 1.942 64.289 62.300 0.079 0.000 1.141 185 V CB -0.581 31.161 31.823 -0.136 0.000 0.743 185 V HN 0.401 nan 8.190 nan 0.000 0.492 186 T N -0.029 114.604 114.554 0.132 0.000 2.995 186 T HA 0.024 4.361 4.350 -0.021 0.000 0.269 186 T C 0.514 175.141 174.700 -0.122 0.000 1.091 186 T CA 0.327 62.437 62.100 0.017 0.000 1.128 186 T CB -0.339 68.554 68.868 0.041 0.000 0.891 186 T HN 0.319 nan 8.240 nan 0.000 0.492 187 F N 2.515 122.480 119.950 0.026 0.000 2.494 187 F HA 0.236 4.750 4.527 -0.021 0.000 0.369 187 F C 1.444 177.240 175.800 -0.006 0.000 1.098 187 F CA -0.723 57.280 58.000 0.004 0.000 1.154 187 F CB 0.700 39.698 39.000 -0.003 0.000 1.103 187 F HN -0.146 nan 8.300 nan 0.000 0.549 188 K N 5.434 125.891 120.400 0.095 0.000 2.044 188 K HA -0.144 4.163 4.320 -0.021 0.000 0.210 188 K C -1.010 175.624 176.600 0.056 0.000 1.049 188 K CA 1.775 58.085 56.287 0.038 0.000 0.927 188 K CB -1.094 31.407 32.500 0.000 0.000 0.713 188 K HN 0.280 nan 8.250 nan 0.000 0.443 189 P HA -0.111 nan 4.420 nan 0.000 0.222 189 P C 0.946 178.284 177.300 0.064 0.000 1.147 189 P CA 0.864 63.998 63.100 0.056 0.000 0.790 189 P CB 0.020 31.752 31.700 0.053 0.000 0.780 190 I N -0.191 120.453 120.570 0.123 0.000 2.202 190 I HA -0.146 4.012 4.170 -0.021 0.000 0.242 190 I C 2.210 178.401 176.117 0.124 0.000 1.091 190 I CA 1.456 62.850 61.300 0.157 0.000 1.368 190 I CB -1.761 36.404 38.000 0.275 0.000 1.058 190 I HN -0.071 nan 8.210 nan 0.000 0.410 191 A N 1.342 124.195 122.820 0.056 0.000 1.972 191 A HA -0.216 4.091 4.320 -0.021 0.000 0.219 191 A C 2.151 179.708 177.584 -0.046 0.000 1.169 191 A CA 1.768 53.779 52.037 -0.043 0.000 0.635 191 A CB -0.728 18.214 19.000 -0.097 0.000 0.810 191 A HN 0.677 nan 8.150 nan 0.000 0.446 192 E N 0.242 120.424 120.200 -0.029 0.000 2.274 192 E HA -0.062 4.275 4.350 -0.021 0.000 0.194 192 E C 1.525 178.091 176.600 -0.056 0.000 0.996 192 E CA 1.267 57.636 56.400 -0.052 0.000 0.840 192 E CB -0.422 29.252 29.700 -0.043 0.000 0.772 192 E HN 0.827 nan 8.360 nan 0.000 0.491 193 I N -3.935 116.615 120.570 -0.033 0.000 4.154 193 I HA 0.285 4.442 4.170 -0.021 0.000 0.334 193 I C 1.435 177.491 176.117 -0.101 0.000 1.371 193 I CA -0.669 60.590 61.300 -0.069 0.000 1.110 193 I CB -0.059 37.905 38.000 -0.061 0.000 1.085 193 I HN -0.151 nan 8.210 nan 0.000 0.398 194 F N 3.445 123.247 119.950 -0.247 0.000 2.192 194 F HA -0.248 4.267 4.527 -0.021 0.000 0.301 194 F C 2.553 178.057 175.800 -0.494 0.000 1.079 194 F CA 2.509 60.316 58.000 -0.321 0.000 1.303 194 F CB 0.037 38.854 39.000 -0.305 0.000 1.024 194 F HN 0.307 nan 8.300 nan 0.000 0.494 195 T N -3.151 111.098 114.554 -0.509 0.000 3.118 195 T HA -0.049 4.289 4.350 -0.021 0.000 0.260 195 T C 1.522 175.817 174.700 -0.675 0.000 1.139 195 T CA 0.352 61.738 62.100 -1.191 0.000 1.085 195 T CB -0.228 67.951 68.868 -1.150 0.000 0.934 195 T HN 0.022 nan 8.240 nan 0.000 0.518 196 K N 0.898 121.082 120.400 -0.361 0.000 2.444 196 K HA 0.358 4.666 4.320 -0.021 0.000 0.193 196 K C 0.586 177.077 176.600 -0.181 0.000 1.024 196 K CA -0.253 55.922 56.287 -0.187 0.000 1.077 196 K CB -0.309 32.119 32.500 -0.121 0.000 0.833 196 K HN 0.527 nan 8.250 nan 0.000 0.517 197 I N 2.615 123.010 120.570 -0.291 0.000 2.692 197 I HA -0.092 4.065 4.170 -0.021 0.000 0.284 197 I C 0.207 176.265 176.117 -0.098 0.000 1.159 197 I CA -0.109 61.039 61.300 -0.253 0.000 1.423 197 I CB 0.339 38.066 38.000 -0.454 0.000 1.380 197 I HN -0.029 nan 8.210 nan 0.000 0.580 198 D N 5.504 125.866 120.400 -0.064 0.000 2.533 198 D HA 0.060 4.688 4.640 -0.021 0.000 0.236 198 D C 1.141 177.455 176.300 0.023 0.000 1.137 198 D CA 1.150 55.150 54.000 -0.001 0.000 0.867 198 D CB 0.526 41.321 40.800 -0.008 0.000 1.170 198 D HN 0.907 nan 8.370 nan 0.000 0.474 199 G N 2.013 110.858 108.800 0.075 0.000 2.168 199 G HA2 -0.389 3.559 3.960 -0.021 0.000 0.257 199 G HA3 -0.389 3.559 3.960 -0.021 0.000 0.257 199 G C 0.717 175.659 174.900 0.070 0.000 0.997 199 G CA 0.460 45.614 45.100 0.090 0.000 0.708 199 G HN 0.510 nan 8.290 nan 0.000 0.520 200 F N 0.319 120.202 119.950 -0.112 0.000 2.102 200 F HA 0.333 4.847 4.527 -0.021 0.000 0.298 200 F C 1.424 177.067 175.800 -0.262 0.000 1.105 200 F CA 0.957 58.784 58.000 -0.288 0.000 1.239 200 F CB -0.082 38.605 39.000 -0.522 0.000 0.991 200 F HN 0.115 nan 8.300 nan 0.000 0.474 201 F N 0.269 120.392 119.950 0.288 0.000 2.370 201 F HA 0.494 5.009 4.527 -0.021 0.000 0.319 201 F C 0.740 176.617 175.800 0.129 0.000 1.129 201 F CA -0.859 57.276 58.000 0.225 0.000 1.109 201 F CB -0.038 39.071 39.000 0.182 0.000 1.262 201 F HN -0.106 nan 8.300 nan 0.000 0.534 202 A N 1.288 124.283 122.820 0.291 0.000 2.363 202 A HA 0.257 4.565 4.320 -0.021 0.000 0.270 202 A C -0.136 177.549 177.584 0.168 0.000 1.121 202 A CA -0.797 51.368 52.037 0.213 0.000 0.800 202 A CB -0.135 18.985 19.000 0.201 0.000 1.052 202 A HN 0.683 nan 8.150 nan 0.000 0.493 203 D N 0.296 120.803 120.400 0.177 0.000 2.370 203 D HA -0.094 4.534 4.640 -0.021 0.000 0.235 203 D C 0.869 177.277 176.300 0.180 0.000 1.228 203 D CA 0.432 54.527 54.000 0.159 0.000 0.884 203 D CB 0.199 41.082 40.800 0.138 0.000 1.201 203 D HN 0.641 nan 8.370 nan 0.000 0.456 204 Y N 1.164 121.495 120.300 0.051 0.000 2.274 204 Y HA -0.217 4.320 4.550 -0.021 0.000 0.290 204 Y C 2.166 178.127 175.900 0.103 0.000 1.145 204 Y CA 1.924 60.057 58.100 0.055 0.000 1.203 204 Y CB -0.124 38.351 38.460 0.025 0.000 0.984 204 Y HN 0.307 nan 8.280 nan 0.000 0.533 205 S N -1.690 113.985 115.700 -0.041 0.000 2.605 205 S HA 0.052 4.510 4.470 -0.021 0.000 0.217 205 S C 0.700 175.277 174.600 -0.038 0.000 0.958 205 S CA -0.169 57.955 58.200 -0.127 0.000 0.919 205 S CB -1.375 61.809 63.200 -0.028 0.000 0.780 205 S HN 0.379 nan 8.310 nan 0.000 0.507 206 C N 3.938 123.278 119.300 0.067 0.000 2.627 206 C HA 0.330 4.778 4.460 -0.021 0.000 0.404 206 C C 0.617 175.629 174.990 0.037 0.000 1.340 206 C CA -0.706 58.381 59.018 0.114 0.000 1.758 206 C CB -1.117 26.787 27.740 0.273 0.000 2.501 206 C HN 0.516 nan 8.230 nan 0.000 0.588 207 K N 7.038 127.367 120.400 -0.117 0.000 2.295 207 K HA 0.154 4.461 4.320 -0.021 0.000 0.270 207 K C -1.603 174.630 176.600 -0.612 0.000 1.011 207 K CA -0.890 55.244 56.287 -0.256 0.000 0.953 207 K CB 0.522 32.909 32.500 -0.188 0.000 0.956 207 K HN 0.451 nan 8.250 nan 0.000 0.477 208 P HA -0.229 nan 4.420 nan 0.000 0.216 208 P C 0.590 177.332 177.300 -0.929 0.000 1.153 208 P CA 1.471 63.825 63.100 -1.244 0.000 0.858 208 P CB 0.197 31.582 31.700 -0.526 0.000 0.789 209 Q N -0.779 118.734 119.800 -0.477 0.000 2.364 209 Q HA -0.125 4.203 4.340 -0.021 0.000 0.209 209 Q C 1.255 177.068 176.000 -0.312 0.000 0.977 209 Q CA 1.231 56.847 55.803 -0.310 0.000 0.885 209 Q CB -1.126 27.502 28.738 -0.184 0.000 0.941 209 Q HN 0.347 nan 8.270 nan 0.000 0.464 210 D N -0.671 119.512 120.400 -0.362 0.000 2.350 210 D HA 0.070 4.697 4.640 -0.021 0.000 0.213 210 D C 1.023 177.277 176.300 -0.077 0.000 1.031 210 D CA 0.070 53.953 54.000 -0.194 0.000 0.861 210 D CB -0.078 40.653 40.800 -0.114 0.000 0.926 210 D HN 0.300 nan 8.370 nan 0.000 0.520 211 F N 2.140 122.020 119.950 -0.117 0.000 2.095 211 F HA -0.194 4.321 4.527 -0.021 0.000 0.298 211 F C 2.468 178.137 175.800 -0.217 0.000 1.104 211 F CA 0.868 58.816 58.000 -0.086 0.000 1.232 211 F CB -0.161 38.833 39.000 -0.009 0.000 0.987 211 F HN 0.045 nan 8.300 nan 0.000 0.475 212 E N 0.997 120.937 120.200 -0.433 0.000 2.418 212 E HA -0.132 4.206 4.350 -0.021 0.000 0.197 212 E C 1.706 178.203 176.600 -0.173 0.000 1.026 212 E CA 0.667 56.691 56.400 -0.627 0.000 0.862 212 E CB -0.225 28.817 29.700 -1.098 0.000 0.799 212 E HN 0.515 nan 8.360 nan 0.000 0.518 213 R N 0.549 120.992 120.500 -0.096 0.000 2.191 213 R HA 0.190 4.518 4.340 -0.021 0.000 0.196 213 R C 1.564 177.877 176.300 0.021 0.000 0.991 213 R CA 0.387 56.472 56.100 -0.025 0.000 1.075 213 R CB 0.236 30.514 30.300 -0.038 0.000 1.040 213 R HN -0.044 nan 8.270 nan 0.000 0.526 214 K N 0.354 120.785 120.400 0.051 0.000 2.397 214 K HA 0.185 4.493 4.320 -0.021 0.000 0.202 214 K C -0.262 176.401 176.600 0.105 0.000 1.022 214 K CA 0.146 56.476 56.287 0.073 0.000 1.141 214 K CB 1.314 33.860 32.500 0.076 0.000 0.857 214 K HN -0.094 nan 8.250 nan 0.000 0.514 215 T N 0.805 115.434 114.554 0.125 0.000 2.856 215 T HA 0.235 4.573 4.350 -0.021 0.000 0.283 215 T C 1.269 176.014 174.700 0.075 0.000 1.008 215 T CA -0.687 61.491 62.100 0.130 0.000 0.997 215 T CB 1.197 70.215 68.868 0.251 0.000 0.992 215 T HN -0.134 nan 8.240 nan 0.000 0.454 216 I N 2.811 123.367 120.570 -0.024 0.000 2.185 216 I HA -0.148 4.009 4.170 -0.021 0.000 0.246 216 I C 1.997 178.214 176.117 0.167 0.000 1.088 216 I CA 1.840 63.181 61.300 0.068 0.000 1.347 216 I CB -0.647 37.384 38.000 0.052 0.000 1.041 216 I HN 0.645 nan 8.210 nan 0.000 0.415 217 L N -0.376 120.835 121.223 -0.020 0.000 2.477 217 L HA 0.089 4.416 4.340 -0.021 0.000 0.220 217 L C 2.523 179.513 176.870 0.199 0.000 1.106 217 L CA 0.507 55.364 54.840 0.028 0.000 0.851 217 L CB -0.687 41.266 42.059 -0.177 0.000 0.994 217 L HN 0.222 nan 8.230 nan 0.000 0.462 218 G N 1.860 110.838 108.800 0.297 0.000 2.599 218 G HA2 -0.257 3.691 3.960 -0.021 0.000 0.219 218 G HA3 -0.257 3.691 3.960 -0.021 0.000 0.219 218 G C -0.765 174.301 174.900 0.276 0.000 1.193 218 G CA 1.007 46.317 45.100 0.351 0.000 0.778 218 G HN 0.278 nan 8.290 nan 0.000 0.589 219 P HA -0.040 nan 4.420 nan 0.000 0.216 219 P C 2.195 179.758 177.300 0.438 0.000 1.153 219 P CA 1.282 64.533 63.100 0.251 0.000 0.848 219 P CB -0.227 31.476 31.700 0.005 0.000 0.787 220 I N -4.101 116.659 120.570 0.317 0.000 2.394 220 I HA -0.144 4.014 4.170 -0.021 0.000 0.251 220 I C 1.884 178.120 176.117 0.199 0.000 1.136 220 I CA 1.553 63.017 61.300 0.273 0.000 1.425 220 I CB -1.092 36.895 38.000 -0.022 0.000 1.079 220 I HN -0.156 nan 8.210 nan 0.000 0.425 221 L N 1.578 122.952 121.223 0.251 0.000 2.376 221 L HA -0.068 4.259 4.340 -0.021 0.000 0.219 221 L C 2.543 179.611 176.870 0.330 0.000 1.133 221 L CA 1.242 56.235 54.840 0.255 0.000 0.816 221 L CB -0.362 41.867 42.059 0.283 0.000 0.933 221 L HN 0.506 nan 8.230 nan 0.000 0.449 222 S N -1.110 114.833 115.700 0.404 0.000 2.593 222 S HA 0.085 4.543 4.470 -0.021 0.000 0.217 222 S C 0.625 175.275 174.600 0.084 0.000 0.966 222 S CA -0.381 58.009 58.200 0.317 0.000 0.914 222 S CB -0.165 63.172 63.200 0.228 0.000 0.776 222 S HN 0.039 nan 8.310 nan 0.000 0.523 223 L N 3.318 124.554 121.223 0.021 0.000 2.456 223 L HA 0.577 4.904 4.340 -0.021 0.000 0.277 223 L C 0.308 177.045 176.870 -0.221 0.000 1.124 223 L CA 0.340 55.073 54.840 -0.177 0.000 0.880 223 L CB 0.006 41.916 42.059 -0.248 0.000 1.192 223 L HN 0.462 nan 8.230 nan 0.000 0.463 224 S N 5.211 120.718 115.700 -0.322 0.000 2.558 224 S HA 0.554 5.011 4.470 -0.021 0.000 0.277 224 S C -2.424 171.918 174.600 -0.429 0.000 1.143 224 S CA -0.785 57.108 58.200 -0.511 0.000 0.865 224 S CB 1.926 64.864 63.200 -0.437 0.000 1.102 224 S HN 0.348 nan 8.310 nan 0.000 0.454 225 P HA 0.140 nan 4.420 nan 0.000 0.237 225 P C 0.992 178.216 177.300 -0.127 0.000 1.178 225 P CA 0.485 63.460 63.100 -0.208 0.000 0.766 225 P CB -0.545 31.101 31.700 -0.091 0.000 0.876 226 I N -3.290 117.137 120.570 -0.237 0.000 3.884 226 I HA 0.385 4.542 4.170 -0.021 0.000 0.330 226 I C 0.214 176.268 176.117 -0.105 0.000 1.451 226 I CA -0.758 60.455 61.300 -0.145 0.000 1.165 226 I CB -0.447 37.405 38.000 -0.247 0.000 1.097 226 I HN -0.281 nan 8.210 nan 0.000 0.404 227 E N 1.804 121.941 120.200 -0.105 0.000 2.289 227 E HA 0.466 4.803 4.350 -0.021 0.000 0.278 227 E C 1.283 177.865 176.600 -0.030 0.000 1.032 227 E CA 0.414 56.769 56.400 -0.075 0.000 0.854 227 E CB 1.718 31.362 29.700 -0.093 0.000 1.046 227 E HN 0.326 nan 8.360 nan 0.000 0.409 228 A N 5.128 127.938 122.820 -0.017 0.000 1.881 228 A HA -0.296 4.011 4.320 -0.021 0.000 0.219 228 A C 2.178 179.755 177.584 -0.012 0.000 1.215 228 A CA 2.712 54.754 52.037 0.007 0.000 0.648 228 A CB -1.441 17.561 19.000 0.004 0.000 0.832 228 A HN 0.861 nan 8.150 nan 0.000 0.455 229 A N -1.111 121.670 122.820 -0.065 0.000 1.978 229 A HA -0.020 4.287 4.320 -0.021 0.000 0.220 229 A C 2.240 179.786 177.584 -0.063 0.000 1.170 229 A CA 1.999 53.971 52.037 -0.109 0.000 0.636 229 A CB -0.900 17.951 19.000 -0.247 0.000 0.810 229 A HN 0.498 nan 8.150 nan 0.000 0.448 230 V N -0.508 119.378 119.914 -0.047 0.000 2.379 230 V HA -0.181 3.927 4.120 -0.021 0.000 0.245 230 V C 3.020 179.138 176.094 0.039 0.000 1.044 230 V CA 1.784 64.067 62.300 -0.028 0.000 1.036 230 V CB -1.126 30.663 31.823 -0.056 0.000 0.664 230 V HN 0.617 nan 8.190 nan 0.000 0.453 231 A N 0.095 122.978 122.820 0.105 0.000 1.873 231 A HA -0.144 4.163 4.320 -0.021 0.000 0.215 231 A C 2.174 179.901 177.584 0.240 0.000 1.186 231 A CA 1.774 53.974 52.037 0.270 0.000 0.616 231 A CB -0.520 18.615 19.000 0.225 0.000 0.823 231 A HN 0.488 nan 8.150 nan 0.000 0.442 232 I N -0.897 119.745 120.570 0.119 0.000 2.226 232 I HA -0.267 3.891 4.170 -0.021 0.000 0.245 232 I C 2.682 178.829 176.117 0.051 0.000 1.100 232 I CA 1.848 63.201 61.300 0.087 0.000 1.374 232 I CB -0.309 37.713 38.000 0.037 0.000 1.057 232 I HN 0.328 nan 8.210 nan 0.000 0.413 233 R N 1.516 122.022 120.500 0.010 0.000 2.096 233 R HA -0.126 4.201 4.340 -0.021 0.000 0.235 233 R C 1.862 178.125 176.300 -0.062 0.000 1.127 233 R CA 1.755 57.840 56.100 -0.025 0.000 0.968 233 R CB -0.320 29.958 30.300 -0.036 0.000 0.861 233 R HN 0.380 nan 8.270 nan 0.000 0.440 234 N N -1.559 117.078 118.700 -0.106 0.000 2.402 234 N HA -0.027 4.701 4.740 -0.021 0.000 0.174 234 N C 0.878 176.135 175.510 -0.421 0.000 1.027 234 N CA 1.008 53.876 53.050 -0.303 0.000 0.891 234 N CB 0.195 38.407 38.487 -0.458 0.000 1.016 234 N HN 0.272 nan 8.380 nan 0.000 0.439 235 Y N -0.059 120.225 120.300 -0.026 0.000 2.539 235 Y HA 0.308 4.845 4.550 -0.021 0.000 0.284 235 Y C 2.494 178.385 175.900 -0.015 0.000 1.134 235 Y CA 0.287 58.352 58.100 -0.060 0.000 1.251 235 Y CB -0.581 37.893 38.460 0.025 0.000 1.260 235 Y HN -0.064 nan 8.280 nan 0.000 0.528 236 G N -0.262 108.655 108.800 0.194 0.000 2.471 236 G HA2 -0.242 3.705 3.960 -0.021 0.000 0.219 236 G HA3 -0.242 3.705 3.960 -0.021 0.000 0.219 236 G C 1.170 176.112 174.900 0.070 0.000 1.125 236 G CA 1.016 46.198 45.100 0.137 0.000 0.775 236 G HN 0.273 nan 8.290 nan 0.000 0.548 237 D N 0.783 121.206 120.400 0.038 0.000 2.600 237 D HA -0.232 4.396 4.640 -0.021 0.000 0.194 237 D C 0.750 177.048 176.300 -0.004 0.000 1.040 237 D CA 1.586 55.585 54.000 -0.002 0.000 0.871 237 D CB 0.009 40.781 40.800 -0.047 0.000 0.973 237 D HN 0.373 nan 8.370 nan 0.000 0.470 238 N N -1.183 117.512 118.700 -0.008 0.000 2.747 238 N HA 0.077 4.804 4.740 -0.021 0.000 0.262 238 N C -0.177 175.329 175.510 -0.007 0.000 1.261 238 N CA -0.178 52.866 53.050 -0.010 0.000 0.809 238 N CB 0.158 38.624 38.487 -0.035 0.000 1.450 238 N HN 0.064 nan 8.380 nan 0.000 0.560 239 L N 2.124 123.381 121.223 0.056 0.000 2.554 239 L HA 0.212 4.540 4.340 -0.021 0.000 0.226 239 L C 1.116 178.063 176.870 0.128 0.000 1.137 239 L CA 0.673 55.598 54.840 0.142 0.000 0.863 239 L CB 0.097 42.291 42.059 0.224 0.000 0.985 239 L HN 0.507 nan 8.230 nan 0.000 0.451 240 L N -0.786 120.470 121.223 0.055 0.000 2.741 240 L HA 0.190 4.518 4.340 -0.021 0.000 0.237 240 L C 0.835 177.712 176.870 0.012 0.000 1.178 240 L CA -0.240 54.630 54.840 0.049 0.000 0.973 240 L CB -0.226 41.853 42.059 0.034 0.000 1.255 240 L HN 0.120 nan 8.230 nan 0.000 0.498 241 R N 1.119 121.600 120.500 -0.031 0.000 2.679 241 R HA 0.064 4.392 4.340 -0.021 0.000 0.268 241 R C 0.915 177.189 176.300 -0.042 0.000 1.044 241 R CA 0.064 56.125 56.100 -0.065 0.000 1.105 241 R CB 0.733 30.949 30.300 -0.140 0.000 0.989 241 R HN 0.257 nan 8.270 nan 0.000 0.447 242 S N 1.919 117.597 115.700 -0.036 0.000 2.587 242 S HA 0.004 4.462 4.470 -0.021 0.000 0.260 242 S C 1.030 175.614 174.600 -0.026 0.000 1.353 242 S CA -0.442 57.746 58.200 -0.019 0.000 0.995 242 S CB 0.868 64.057 63.200 -0.018 0.000 0.912 242 S HN 0.492 nan 8.310 nan 0.000 0.568 243 K N 0.832 121.232 120.400 -0.000 0.000 2.063 243 K HA -0.193 4.114 4.320 -0.021 0.000 0.208 243 K C 2.309 178.903 176.600 -0.011 0.000 1.048 243 K CA 1.865 58.158 56.287 0.010 0.000 0.928 243 K CB -0.699 31.820 32.500 0.031 0.000 0.713 243 K HN 0.854 nan 8.250 nan 0.000 0.442 244 Q N 1.204 120.996 119.800 -0.013 0.000 2.096 244 Q HA -0.215 4.113 4.340 -0.021 0.000 0.204 244 Q C 2.111 178.086 176.000 -0.042 0.000 0.982 244 Q CA 1.638 57.431 55.803 -0.017 0.000 0.850 244 Q CB 0.075 28.805 28.738 -0.014 0.000 0.901 244 Q HN 0.362 nan 8.270 nan 0.000 0.422 245 Q N -0.956 118.808 119.800 -0.059 0.000 2.079 245 Q HA -0.106 4.222 4.340 -0.021 0.000 0.200 245 Q C 2.037 177.952 176.000 -0.142 0.000 0.974 245 Q CA 1.780 57.530 55.803 -0.088 0.000 0.840 245 Q CB 0.156 28.843 28.738 -0.084 0.000 0.898 245 Q HN 0.373 nan 8.270 nan 0.000 0.430 246 T N 0.665 115.113 114.554 -0.176 0.000 2.788 246 T HA -0.131 4.206 4.350 -0.021 0.000 0.268 246 T C 1.842 176.344 174.700 -0.329 0.000 1.044 246 T CA 1.100 63.016 62.100 -0.307 0.000 1.139 246 T CB -0.227 68.432 68.868 -0.348 0.000 0.867 246 T HN 0.377 nan 8.240 nan 0.000 0.454 247 A N 1.696 124.428 122.820 -0.147 0.000 1.933 247 A HA -0.057 4.250 4.320 -0.021 0.000 0.218 247 A C 2.303 179.876 177.584 -0.018 0.000 1.175 247 A CA 1.398 53.419 52.037 -0.026 0.000 0.628 247 A CB -0.617 18.405 19.000 0.037 0.000 0.814 247 A HN 0.493 nan 8.150 nan 0.000 0.444 248 M N -0.971 118.594 119.600 -0.058 0.000 2.254 248 M HA -0.018 4.449 4.480 -0.021 0.000 0.265 248 M C 2.013 178.275 176.300 -0.062 0.000 1.066 248 M CA 1.235 56.508 55.300 -0.045 0.000 1.123 248 M CB -0.603 31.965 32.600 -0.054 0.000 1.388 248 M HN 0.353 nan 8.290 nan 0.000 0.425 249 I N -0.381 120.112 120.570 -0.129 0.000 2.202 249 I HA -0.272 3.886 4.170 -0.021 0.000 0.242 249 I C 2.562 178.668 176.117 -0.019 0.000 1.091 249 I CA 1.084 62.277 61.300 -0.180 0.000 1.368 249 I CB -0.711 37.055 38.000 -0.390 0.000 1.058 249 I HN 0.256 nan 8.210 nan 0.000 0.410 250 H N 1.166 120.295 119.070 0.098 0.000 2.321 250 H HA -0.216 4.327 4.556 -0.021 0.000 0.295 250 H C 2.165 177.508 175.328 0.024 0.000 1.102 250 H CA 1.717 57.849 56.048 0.140 0.000 1.266 250 H CB -0.582 29.270 29.762 0.149 0.000 1.363 250 H HN 0.454 nan 8.280 nan 0.000 0.492 251 E N 0.230 120.501 120.200 0.118 0.000 2.077 251 E HA -0.116 4.221 4.350 -0.021 0.000 0.193 251 E C 2.400 179.001 176.600 0.002 0.000 0.989 251 E CA 1.383 57.798 56.400 0.025 0.000 0.800 251 E CB 0.056 29.765 29.700 0.016 0.000 0.746 251 E HN 0.416 nan 8.360 nan 0.000 0.452 252 S N 1.383 117.085 115.700 0.004 0.000 2.356 252 S HA -0.127 4.331 4.470 -0.021 0.000 0.223 252 S C 2.125 176.739 174.600 0.024 0.000 1.032 252 S CA 0.806 59.008 58.200 0.003 0.000 1.005 252 S CB -0.354 62.836 63.200 -0.018 0.000 0.867 252 S HN 0.162 nan 8.310 nan 0.000 0.449 253 L N 1.282 122.526 121.223 0.034 0.000 2.083 253 L HA -0.188 4.139 4.340 -0.021 0.000 0.209 253 L C 2.881 179.817 176.870 0.110 0.000 1.083 253 L CA 1.329 56.213 54.840 0.073 0.000 0.752 253 L CB -0.625 41.498 42.059 0.107 0.000 0.899 253 L HN 0.386 nan 8.230 nan 0.000 0.433 254 Q N -0.305 119.507 119.800 0.020 0.000 2.046 254 Q HA -0.165 4.163 4.340 -0.021 0.000 0.200 254 Q C 2.485 178.489 176.000 0.006 0.000 0.975 254 Q CA 1.545 57.243 55.803 -0.175 0.000 0.836 254 Q CB -0.340 27.888 28.738 -0.850 0.000 0.896 254 Q HN 0.533 nan 8.270 nan 0.000 0.428 255 A N 1.283 124.103 122.820 -0.001 0.000 1.917 255 A HA -0.310 3.997 4.320 -0.021 0.000 0.219 255 A C 1.962 179.614 177.584 0.114 0.000 1.182 255 A CA 1.916 53.988 52.037 0.058 0.000 0.633 255 A CB -0.577 18.445 19.000 0.035 0.000 0.819 255 A HN 0.454 nan 8.150 nan 0.000 0.448 256 E N -1.479 118.797 120.200 0.126 0.000 2.046 256 E HA -0.218 4.119 4.350 -0.021 0.000 0.190 256 E C 1.937 178.668 176.600 0.218 0.000 0.982 256 E CA 0.925 57.421 56.400 0.161 0.000 0.800 256 E CB -0.328 29.457 29.700 0.141 0.000 0.756 256 E HN 0.858 nan 8.360 nan 0.000 0.449 257 H N -0.094 119.041 119.070 0.109 0.000 2.387 257 H HA -0.169 4.374 4.556 -0.021 0.000 0.299 257 H C 2.147 177.556 175.328 0.135 0.000 1.099 257 H CA 1.563 57.679 56.048 0.113 0.000 1.315 257 H CB 0.227 30.091 29.762 0.170 0.000 1.380 257 H HN -0.041 nan 8.280 nan 0.000 0.513 258 K N 0.522 121.040 120.400 0.198 0.000 2.032 258 K HA -0.113 4.194 4.320 -0.021 0.000 0.209 258 K C 2.095 178.732 176.600 0.062 0.000 1.048 258 K CA 1.700 58.032 56.287 0.076 0.000 0.927 258 K CB -0.578 32.008 32.500 0.142 0.000 0.712 258 K HN 0.131 nan 8.250 nan 0.000 0.441 259 V N 0.261 120.239 119.914 0.107 0.000 2.343 259 V HA -0.236 3.872 4.120 -0.021 0.000 0.247 259 V C 2.334 178.503 176.094 0.124 0.000 1.051 259 V CA 1.759 64.121 62.300 0.103 0.000 1.036 259 V CB -0.371 31.520 31.823 0.114 0.000 0.654 259 V HN 0.212 nan 8.190 nan 0.000 0.451 260 V N -0.033 119.979 119.914 0.163 0.000 2.287 260 V HA -0.269 3.839 4.120 -0.021 0.000 0.248 260 V C 2.323 178.489 176.094 0.120 0.000 1.053 260 V CA 2.015 64.416 62.300 0.169 0.000 1.027 260 V CB -0.542 31.381 31.823 0.167 0.000 0.646 260 V HN 0.392 nan 8.190 nan 0.000 0.447 261 I N 0.184 120.790 120.570 0.060 0.000 2.208 261 I HA -0.217 3.941 4.170 -0.021 0.000 0.245 261 I C 2.335 178.490 176.117 0.063 0.000 1.097 261 I CA 1.732 63.035 61.300 0.006 0.000 1.363 261 I CB -1.376 36.541 38.000 -0.139 0.000 1.051 261 I HN 0.357 nan 8.210 nan 0.000 0.413 262 D N 0.927 121.360 120.400 0.056 0.000 2.106 262 D HA -0.191 4.436 4.640 -0.021 0.000 0.191 262 D C 2.375 178.788 176.300 0.188 0.000 0.997 262 D CA 1.370 55.433 54.000 0.106 0.000 0.834 262 D CB -0.275 40.562 40.800 0.062 0.000 0.956 262 D HN 0.346 nan 8.370 nan 0.000 0.448 263 R N -0.021 120.566 120.500 0.146 0.000 2.092 263 R HA 0.022 4.349 4.340 -0.021 0.000 0.231 263 R C 2.597 179.014 176.300 0.196 0.000 1.119 263 R CA 0.491 56.687 56.100 0.159 0.000 0.970 263 R CB -0.292 30.084 30.300 0.127 0.000 0.864 263 R HN 0.226 nan 8.270 nan 0.000 0.440 264 L N -0.455 120.862 121.223 0.158 0.000 2.056 264 L HA -0.159 4.168 4.340 -0.021 0.000 0.207 264 L C 2.299 179.255 176.870 0.143 0.000 1.078 264 L CA 1.084 55.997 54.840 0.121 0.000 0.749 264 L CB -0.388 41.729 42.059 0.098 0.000 0.901 264 L HN 0.114 nan 8.230 nan 0.000 0.433 265 F N 0.287 120.252 119.950 0.025 0.000 2.102 265 F HA -0.292 4.223 4.527 -0.021 0.000 0.298 265 F C 2.365 178.181 175.800 0.027 0.000 1.105 265 F CA 1.337 59.314 58.000 -0.039 0.000 1.239 265 F CB -0.421 38.491 39.000 -0.147 0.000 0.991 265 F HN -0.026 nan 8.300 nan 0.000 0.474 266 F N 0.790 120.721 119.950 -0.032 0.000 2.091 266 F HA -0.263 4.252 4.527 -0.021 0.000 0.299 266 F C 2.066 177.769 175.800 -0.162 0.000 1.103 266 F CA 2.106 60.042 58.000 -0.107 0.000 1.228 266 F CB -0.586 38.422 39.000 0.012 0.000 0.984 266 F HN 0.005 nan 8.300 nan 0.000 0.477 267 I N -0.623 120.009 120.570 0.104 0.000 2.142 267 I HA -0.299 3.859 4.170 -0.021 0.000 0.240 267 I C 2.232 178.236 176.117 -0.188 0.000 1.078 267 I CA 1.372 62.666 61.300 -0.009 0.000 1.343 267 I CB -0.629 37.410 38.000 0.065 0.000 1.046 267 I HN -0.021 nan 8.210 nan 0.000 0.405 268 V N 0.684 120.520 119.914 -0.130 0.000 2.515 268 V HA -0.282 3.825 4.120 -0.021 0.000 0.250 268 V C 2.099 178.146 176.094 -0.078 0.000 1.058 268 V CA 2.130 64.397 62.300 -0.054 0.000 1.064 268 V CB -0.693 31.236 31.823 0.176 0.000 0.675 268 V HN 0.488 nan 8.190 nan 0.000 0.461 269 D N 0.197 120.418 120.400 -0.299 0.000 2.144 269 D HA -0.203 4.425 4.640 -0.021 0.000 0.199 269 D C 2.104 178.215 176.300 -0.315 0.000 0.984 269 D CA 1.225 55.031 54.000 -0.322 0.000 0.834 269 D CB -0.024 40.255 40.800 -0.867 0.000 0.955 269 D HN 0.195 nan 8.370 nan 0.000 0.465 270 K N -0.150 119.991 120.400 -0.432 0.000 2.044 270 K HA -0.078 4.229 4.320 -0.021 0.000 0.210 270 K C 2.123 178.556 176.600 -0.280 0.000 1.049 270 K CA 0.979 57.040 56.287 -0.376 0.000 0.927 270 K CB -0.348 31.894 32.500 -0.429 0.000 0.713 270 K HN 0.233 nan 8.250 nan 0.000 0.443 271 L N -0.361 120.696 121.223 -0.276 0.000 1.994 271 L HA -0.198 4.129 4.340 -0.021 0.000 0.208 271 L C 2.192 178.916 176.870 -0.243 0.000 1.071 271 L CA 1.157 55.846 54.840 -0.250 0.000 0.745 271 L CB -0.777 41.139 42.059 -0.238 0.000 0.892 271 L HN -0.016 nan 8.230 nan 0.000 0.431 272 V N 0.073 119.830 119.914 -0.261 0.000 2.469 272 V HA -0.274 3.834 4.120 -0.021 0.000 0.251 272 V C 2.486 178.380 176.094 -0.333 0.000 1.064 272 V CA 1.774 63.854 62.300 -0.367 0.000 1.066 272 V CB -0.666 30.863 31.823 -0.490 0.000 0.667 272 V HN 0.428 nan 8.190 nan 0.000 0.461 273 R N -0.295 120.058 120.500 -0.245 0.000 2.276 273 R HA 0.089 4.417 4.340 -0.021 0.000 0.196 273 R C 2.307 178.507 176.300 -0.167 0.000 0.961 273 R CA 0.653 56.635 56.100 -0.197 0.000 1.024 273 R CB -0.333 29.870 30.300 -0.162 0.000 0.940 273 R HN 0.567 nan 8.270 nan 0.000 0.480 274 G N 0.579 109.276 108.800 -0.172 0.000 2.402 274 G HA2 -0.186 3.761 3.960 -0.021 0.000 0.216 274 G HA3 -0.186 3.761 3.960 -0.021 0.000 0.216 274 G C 0.423 175.256 174.900 -0.112 0.000 1.162 274 G CA 1.008 46.029 45.100 -0.132 0.000 0.777 274 G HN 0.418 nan 8.290 nan 0.000 0.539 275 S N -2.496 113.127 115.700 -0.130 0.000 2.645 275 S HA 0.232 4.690 4.470 -0.021 0.000 0.268 275 S C 0.258 174.788 174.600 -0.116 0.000 1.110 275 S CA -0.033 58.104 58.200 -0.105 0.000 0.823 275 S CB 0.628 63.781 63.200 -0.079 0.000 1.091 275 S HN 0.463 nan 8.310 nan 0.000 0.466 276 L N 1.668 122.841 121.223 -0.083 0.000 2.131 276 L HA 0.109 4.436 4.340 -0.021 0.000 0.210 276 L C 1.811 178.652 176.870 -0.049 0.000 1.092 276 L CA 2.136 56.937 54.840 -0.065 0.000 0.759 276 L CB -1.191 40.851 42.059 -0.030 0.000 0.903 276 L HN 0.759 nan 8.230 nan 0.000 0.435 277 N N -0.877 117.793 118.700 -0.049 0.000 2.106 277 N HA -0.121 4.607 4.740 -0.021 0.000 0.188 277 N C 1.992 177.464 175.510 -0.064 0.000 1.029 277 N CA 1.530 54.559 53.050 -0.034 0.000 0.848 277 N CB -0.463 38.000 38.487 -0.040 0.000 1.007 277 N HN 0.298 nan 8.380 nan 0.000 0.423 278 S N 0.536 116.166 115.700 -0.118 0.000 2.368 278 S HA -0.114 4.344 4.470 -0.021 0.000 0.225 278 S C 1.876 176.372 174.600 -0.172 0.000 1.030 278 S CA 1.010 59.103 58.200 -0.179 0.000 0.999 278 S CB 0.037 63.124 63.200 -0.189 0.000 0.844 278 S HN 0.479 nan 8.310 nan 0.000 0.459 279 R N 0.673 121.068 120.500 -0.174 0.000 2.093 279 R HA -0.008 4.320 4.340 -0.021 0.000 0.224 279 R C 1.840 178.115 176.300 -0.041 0.000 1.101 279 R CA 1.758 57.728 56.100 -0.217 0.000 0.979 279 R CB -1.067 28.944 30.300 -0.482 0.000 0.877 279 R HN 0.210 nan 8.270 nan 0.000 0.441 280 T N 1.412 115.963 114.554 -0.005 0.000 2.788 280 T HA -0.096 4.242 4.350 -0.021 0.000 0.268 280 T C 1.033 175.770 174.700 0.062 0.000 1.044 280 T CA 1.574 63.700 62.100 0.044 0.000 1.139 280 T CB -0.312 68.619 68.868 0.105 0.000 0.867 280 T HN 0.299 nan 8.240 nan 0.000 0.454 281 D N 0.806 121.267 120.400 0.102 0.000 2.178 281 D HA -0.014 4.614 4.640 -0.021 0.000 0.201 281 D C 2.078 178.522 176.300 0.241 0.000 0.980 281 D CA 0.737 54.905 54.000 0.280 0.000 0.842 281 D CB -0.175 40.725 40.800 0.167 0.000 0.948 281 D HN 0.242 nan 8.370 nan 0.000 0.472 282 M N 0.191 119.804 119.600 0.022 0.000 2.099 282 M HA -0.104 4.364 4.480 -0.021 0.000 0.262 282 M C 2.104 178.345 176.300 -0.097 0.000 1.067 282 M CA 0.730 55.964 55.300 -0.111 0.000 1.124 282 M CB -0.667 31.820 32.600 -0.188 0.000 1.353 282 M HN 0.030 nan 8.290 nan 0.000 0.410 283 I N -0.271 120.276 120.570 -0.039 0.000 2.194 283 I HA -0.266 3.891 4.170 -0.021 0.000 0.246 283 I C 2.701 178.775 176.117 -0.072 0.000 1.093 283 I CA 1.408 62.627 61.300 -0.134 0.000 1.355 283 I CB -1.672 36.027 38.000 -0.502 0.000 1.046 283 I HN 0.294 nan 8.210 nan 0.000 0.413 284 S N -0.444 115.261 115.700 0.008 0.000 2.368 284 S HA -0.232 4.225 4.470 -0.021 0.000 0.225 284 S C 2.168 177.018 174.600 0.417 0.000 1.030 284 S CA 1.148 59.541 58.200 0.322 0.000 0.999 284 S CB -0.420 63.036 63.200 0.427 0.000 0.844 284 S HN 0.471 nan 8.310 nan 0.000 0.459 285 Y N 0.935 121.416 120.300 0.302 0.000 2.145 285 Y HA -0.095 4.442 4.550 -0.021 0.000 0.286 285 Y C 1.743 177.763 175.900 0.199 0.000 1.145 285 Y CA 1.853 60.084 58.100 0.219 0.000 1.148 285 Y CB -0.553 37.893 38.460 -0.024 0.000 0.981 285 Y HN 0.289 nan 8.280 nan 0.000 0.507 286 F N 0.043 120.137 119.950 0.239 0.000 2.186 286 F HA -0.066 4.449 4.527 -0.021 0.000 0.299 286 F C 2.593 178.533 175.800 0.234 0.000 1.090 286 F CA 0.777 58.876 58.000 0.165 0.000 1.307 286 F CB -1.518 37.563 39.000 0.135 0.000 1.019 286 F HN 0.177 nan 8.300 nan 0.000 0.489 287 A N -0.820 122.242 122.820 0.402 0.000 1.930 287 A HA -0.247 4.061 4.320 -0.021 0.000 0.217 287 A C 2.055 179.771 177.584 0.220 0.000 1.175 287 A CA 1.939 54.174 52.037 0.330 0.000 0.627 287 A CB -1.152 18.081 19.000 0.388 0.000 0.815 287 A HN 0.472 nan 8.150 nan 0.000 0.443 288 H N -0.143 118.975 119.070 0.081 0.000 2.326 288 H HA -0.006 4.537 4.556 -0.021 0.000 0.301 288 H C 1.702 176.932 175.328 -0.163 0.000 1.081 288 H CA 1.923 57.937 56.048 -0.056 0.000 1.334 288 H CB -0.281 29.407 29.762 -0.124 0.000 1.385 288 H HN 0.404 nan 8.280 nan 0.000 0.504 289 I N 0.330 120.735 120.570 -0.275 0.000 2.208 289 I HA -0.307 3.850 4.170 -0.021 0.000 0.245 289 I C 2.717 178.808 176.117 -0.043 0.000 1.097 289 I CA 1.251 62.452 61.300 -0.165 0.000 1.363 289 I CB -0.482 37.573 38.000 0.092 0.000 1.051 289 I HN 0.455 nan 8.210 nan 0.000 0.413 290 A N 0.825 123.580 122.820 -0.109 0.000 1.877 290 A HA -0.216 4.091 4.320 -0.021 0.000 0.216 290 A C 2.044 179.506 177.584 -0.203 0.000 1.186 290 A CA 1.974 53.830 52.037 -0.301 0.000 0.620 290 A CB -0.718 18.071 19.000 -0.351 0.000 0.822 290 A HN 0.414 nan 8.150 nan 0.000 0.443 291 N N 0.113 118.714 118.700 -0.164 0.000 2.272 291 N HA -0.097 4.630 4.740 -0.021 0.000 0.185 291 N C 0.904 176.086 175.510 -0.548 0.000 1.014 291 N CA 1.102 53.974 53.050 -0.295 0.000 0.870 291 N CB -0.106 38.301 38.487 -0.132 0.000 0.975 291 N HN 0.348 nan 8.380 nan 0.000 0.433 292 K N 0.302 120.498 120.400 -0.339 0.000 2.397 292 K HA 0.212 4.520 4.320 -0.021 0.000 0.202 292 K C 0.216 176.704 176.600 -0.187 0.000 1.022 292 K CA -0.007 56.137 56.287 -0.237 0.000 1.141 292 K CB 0.404 32.876 32.500 -0.047 0.000 0.857 292 K HN 0.137 nan 8.250 nan 0.000 0.514 293 N N 0.166 118.730 118.700 -0.228 0.000 2.299 293 N HA 0.077 4.805 4.740 -0.021 0.000 0.246 293 N C 0.619 176.040 175.510 -0.148 0.000 1.254 293 N CA 0.006 52.977 53.050 -0.130 0.000 0.879 293 N CB 0.414 38.875 38.487 -0.043 0.000 1.214 293 N HN 0.366 nan 8.380 nan 0.000 0.510 294 H N 0.010 118.841 119.070 -0.399 0.000 2.456 294 H HA 0.025 4.569 4.556 -0.020 0.000 0.296 294 H C 1.618 176.895 175.328 -0.085 0.000 1.079 294 H CA 0.708 56.453 56.048 -0.506 0.000 1.322 294 H CB 0.501 30.010 29.762 -0.422 0.000 1.388 294 H HN 0.124 nan 8.280 nan 0.000 0.538 295 L N 0.451 121.703 121.223 0.049 0.000 2.551 295 L HA -0.074 4.253 4.340 -0.021 0.000 0.228 295 L C 2.204 179.093 176.870 0.032 0.000 1.153 295 L CA 0.399 55.264 54.840 0.042 0.000 0.851 295 L CB -0.183 41.866 42.059 -0.017 0.000 0.959 295 L HN 0.191 nan 8.230 nan 0.000 0.451 296 R N -0.088 120.445 120.500 0.056 0.000 2.200 296 R HA -0.105 4.223 4.340 -0.021 0.000 0.234 296 R C 1.685 178.039 176.300 0.092 0.000 1.127 296 R CA 0.853 56.997 56.100 0.074 0.000 0.989 296 R CB -0.085 30.271 30.300 0.093 0.000 0.869 296 R HN 0.248 nan 8.270 nan 0.000 0.459 297 R N -0.149 120.425 120.500 0.124 0.000 2.362 297 R HA 0.248 4.576 4.340 -0.021 0.000 0.227 297 R C 0.257 176.600 176.300 0.071 0.000 0.905 297 R CA 0.037 56.169 56.100 0.053 0.000 1.067 297 R CB 0.384 30.638 30.300 -0.077 0.000 1.078 297 R HN 0.070 nan 8.270 nan 0.000 0.516 298 A N 1.159 124.019 122.820 0.067 0.000 2.429 298 A HA -0.003 4.304 4.320 -0.021 0.000 0.242 298 A C 0.677 178.248 177.584 -0.022 0.000 1.088 298 A CA -0.076 51.984 52.037 0.037 0.000 0.784 298 A CB 0.352 19.366 19.000 0.023 0.000 1.038 298 A HN 0.055 nan 8.150 nan 0.000 0.501 299 D N -0.012 120.342 120.400 -0.077 0.000 2.144 299 D HA -0.061 4.566 4.640 -0.021 0.000 0.199 299 D C 0.196 176.164 176.300 -0.552 0.000 0.984 299 D CA 1.613 55.445 54.000 -0.281 0.000 0.834 299 D CB -0.085 40.511 40.800 -0.341 0.000 0.955 299 D HN 0.618 nan 8.370 nan 0.000 0.465 300 H N -0.146 118.926 119.070 0.003 0.000 2.541 300 H HA 0.319 4.863 4.556 -0.021 0.000 0.246 300 H C -2.317 172.889 175.328 -0.202 0.000 1.341 300 H CA -1.676 54.340 56.048 -0.053 0.000 1.469 300 H CB 0.660 30.409 29.762 -0.020 0.000 1.472 300 H HN -0.011 nan 8.280 nan 0.000 0.503 301 P HA 0.047 nan 4.420 nan 0.000 0.268 301 P C -2.330 174.550 177.300 -0.700 0.000 1.205 301 P CA -1.224 61.592 63.100 -0.473 0.000 0.771 301 P CB 0.391 31.758 31.700 -0.555 0.000 0.858 302 P HA 0.119 nan 4.420 nan 0.000 0.247 302 P C 0.281 177.448 177.300 -0.221 0.000 1.756 302 P CA -0.245 62.694 63.100 -0.268 0.000 1.117 302 P CB -0.319 31.305 31.700 -0.127 0.000 1.869 303 F N 1.431 121.398 119.950 0.028 0.000 2.147 303 F HA -0.197 4.318 4.527 -0.021 0.000 0.301 303 F C 2.110 177.884 175.800 -0.043 0.000 1.084 303 F CA 1.673 59.665 58.000 -0.013 0.000 1.268 303 F CB -1.035 37.974 39.000 0.016 0.000 1.009 303 F HN 0.167 nan 8.300 nan 0.000 0.486 304 K N -0.105 120.382 120.400 0.145 0.000 2.366 304 K HA -0.068 4.239 4.320 -0.021 0.000 0.198 304 K C 1.030 177.623 176.600 -0.012 0.000 1.044 304 K CA 0.871 57.195 56.287 0.062 0.000 0.973 304 K CB -0.162 32.374 32.500 0.059 0.000 0.767 304 K HN 0.359 nan 8.250 nan 0.000 0.475 305 E N 0.447 120.626 120.200 -0.036 0.000 2.451 305 E HA 0.155 4.492 4.350 -0.021 0.000 0.194 305 E C -0.321 176.206 176.600 -0.123 0.000 1.027 305 E CA -0.014 56.333 56.400 -0.088 0.000 0.914 305 E CB 0.371 30.020 29.700 -0.084 0.000 1.054 305 E HN 0.127 nan 8.360 nan 0.000 0.461 306 L N -0.204 120.961 121.223 -0.096 0.000 2.327 306 L HA 0.381 4.709 4.340 -0.021 0.000 0.258 306 L C 0.148 176.964 176.870 -0.091 0.000 1.024 306 L CA -1.017 53.766 54.840 -0.095 0.000 0.825 306 L CB 2.133 44.169 42.059 -0.038 0.000 1.386 306 L HN -0.103 nan 8.230 nan 0.000 0.417 307 S N 0.173 115.841 115.700 -0.052 0.000 2.589 307 S HA 0.190 4.647 4.470 -0.021 0.000 0.265 307 S C 0.038 174.660 174.600 0.037 0.000 1.342 307 S CA -0.580 57.624 58.200 0.007 0.000 1.005 307 S CB 1.079 64.432 63.200 0.254 0.000 0.909 307 S HN 0.677 nan 8.310 nan 0.000 0.555 308 S N 1.627 117.350 115.700 0.037 0.000 2.601 308 S HA 0.233 4.690 4.470 -0.021 0.000 0.271 308 S C 0.969 175.589 174.600 0.033 0.000 1.305 308 S CA -0.718 57.480 58.200 -0.003 0.000 1.022 308 S CB 0.412 63.593 63.200 -0.032 0.000 0.940 308 S HN 0.611 nan 8.310 nan 0.000 0.525 309 N N 2.264 120.913 118.700 -0.086 0.000 2.091 309 N HA -0.107 4.621 4.740 -0.021 0.000 0.193 309 N C 1.866 177.335 175.510 -0.068 0.000 1.021 309 N CA 1.856 54.857 53.050 -0.081 0.000 0.862 309 N CB -1.278 37.107 38.487 -0.170 0.000 1.018 309 N HN 0.874 nan 8.380 nan 0.000 0.429 310 G N -0.019 108.732 108.800 -0.082 0.000 2.402 310 G HA2 -0.230 3.718 3.960 -0.021 0.000 0.216 310 G HA3 -0.230 3.718 3.960 -0.021 0.000 0.216 310 G C 1.429 176.343 174.900 0.022 0.000 1.162 310 G CA 0.290 45.319 45.100 -0.118 0.000 0.777 310 G HN 0.263 nan 8.290 nan 0.000 0.539 311 F N 1.227 121.146 119.950 -0.051 0.000 2.075 311 F HA -0.047 4.468 4.527 -0.021 0.000 0.297 311 F C 2.719 178.542 175.800 0.038 0.000 1.113 311 F CA 1.549 59.560 58.000 0.019 0.000 1.218 311 F CB -0.045 38.992 39.000 0.063 0.000 0.984 311 F HN -0.010 nan 8.300 nan 0.000 0.472 312 M N -0.487 119.213 119.600 0.166 0.000 2.175 312 M HA -0.148 4.320 4.480 -0.021 0.000 0.264 312 M C 2.286 178.614 176.300 0.047 0.000 1.063 312 M CA 1.349 56.723 55.300 0.123 0.000 1.119 312 M CB -1.598 31.122 32.600 0.200 0.000 1.377 312 M HN 0.099 nan 8.290 nan 0.000 0.415 313 S N 0.920 116.623 115.700 0.006 0.000 2.387 313 S HA -0.073 4.384 4.470 -0.021 0.000 0.226 313 S C 1.698 176.268 174.600 -0.050 0.000 1.026 313 S CA 0.924 59.125 58.200 0.002 0.000 0.972 313 S CB -0.280 62.863 63.200 -0.095 0.000 0.814 313 S HN 0.438 nan 8.310 nan 0.000 0.477 314 N N 1.797 120.443 118.700 -0.090 0.000 2.069 314 N HA 0.010 4.737 4.740 -0.021 0.000 0.191 314 N C 1.621 176.997 175.510 -0.224 0.000 1.031 314 N CA 1.097 54.093 53.050 -0.090 0.000 0.852 314 N CB -0.513 37.950 38.487 -0.040 0.000 1.018 314 N HN 0.377 nan 8.380 nan 0.000 0.423 315 I N 0.674 121.009 120.570 -0.392 0.000 2.226 315 I HA -0.260 3.898 4.170 -0.021 0.000 0.245 315 I C 1.921 177.604 176.117 -0.724 0.000 1.100 315 I CA 1.098 61.962 61.300 -0.726 0.000 1.374 315 I CB -0.645 36.700 38.000 -1.092 0.000 1.057 315 I HN 0.124 nan 8.210 nan 0.000 0.413 316 T N 1.596 115.862 114.554 -0.480 0.000 2.665 316 T HA -0.196 4.141 4.350 -0.021 0.000 0.268 316 T C 1.932 176.444 174.700 -0.313 0.000 1.035 316 T CA 1.480 63.379 62.100 -0.335 0.000 1.151 316 T CB -0.490 68.325 68.868 -0.088 0.000 0.862 316 T HN 0.266 nan 8.240 nan 0.000 0.438 317 L N 0.273 121.360 121.223 -0.226 0.000 2.083 317 L HA -0.050 4.277 4.340 -0.021 0.000 0.209 317 L C 2.539 179.267 176.870 -0.238 0.000 1.083 317 L CA 1.077 55.789 54.840 -0.214 0.000 0.752 317 L CB -0.702 41.262 42.059 -0.158 0.000 0.899 317 L HN 0.260 nan 8.230 nan 0.000 0.433 318 L N -0.625 120.473 121.223 -0.207 0.000 2.017 318 L HA -0.223 4.105 4.340 -0.021 0.000 0.208 318 L C 2.534 179.388 176.870 -0.027 0.000 1.073 318 L CA 1.180 55.970 54.840 -0.084 0.000 0.745 318 L CB -0.507 41.572 42.059 0.034 0.000 0.894 318 L HN 0.251 nan 8.230 nan 0.000 0.432 319 L N -0.867 120.266 121.223 -0.151 0.000 2.046 319 L HA -0.197 4.130 4.340 -0.021 0.000 0.208 319 L C 2.604 179.371 176.870 -0.172 0.000 1.077 319 L CA 0.836 55.626 54.840 -0.084 0.000 0.747 319 L CB -0.543 41.317 42.059 -0.331 0.000 0.896 319 L HN 0.046 nan 8.230 nan 0.000 0.432 320 V N -0.097 119.605 119.914 -0.354 0.000 2.282 320 V HA -0.370 3.737 4.120 -0.021 0.000 0.249 320 V C 2.674 178.614 176.094 -0.257 0.000 1.057 320 V CA 2.035 64.096 62.300 -0.399 0.000 1.032 320 V CB -0.610 30.994 31.823 -0.365 0.000 0.645 320 V HN 0.421 nan 8.190 nan 0.000 0.447 321 R N -1.274 119.043 120.500 -0.305 0.000 2.092 321 R HA -0.085 4.243 4.340 -0.021 0.000 0.231 321 R C 2.206 178.309 176.300 -0.328 0.000 1.119 321 R CA 1.489 57.308 56.100 -0.468 0.000 0.970 321 R CB -0.265 29.517 30.300 -0.862 0.000 0.864 321 R HN 0.518 nan 8.270 nan 0.000 0.440 322 F N -0.370 119.617 119.950 0.061 0.000 2.365 322 F HA -0.132 4.382 4.527 -0.021 0.000 0.300 322 F C 2.407 178.196 175.800 -0.018 0.000 1.090 322 F CA 0.888 59.008 58.000 0.199 0.000 1.408 322 F CB 0.154 39.363 39.000 0.349 0.000 1.060 322 F HN -0.002 nan 8.300 nan 0.000 0.534 323 S N -0.833 114.831 115.700 -0.061 0.000 2.439 323 S HA -0.121 4.337 4.470 -0.021 0.000 0.224 323 S C 1.790 175.929 174.600 -0.768 0.000 1.029 323 S CA 0.277 58.147 58.200 -0.552 0.000 0.946 323 S CB -0.158 63.053 63.200 0.018 0.000 0.797 323 S HN 0.368 nan 8.310 nan 0.000 0.504 324 Q N 0.981 120.576 119.800 -0.342 0.000 2.103 324 Q HA -0.189 4.139 4.340 -0.021 0.000 0.213 324 Q C -0.774 175.047 176.000 -0.299 0.000 1.008 324 Q CA 2.198 57.842 55.803 -0.264 0.000 0.879 324 Q CB -1.330 27.282 28.738 -0.209 0.000 0.946 324 Q HN 0.417 nan 8.270 nan 0.000 0.413 325 P HA -0.171 nan 4.420 nan 0.000 0.218 325 P C 0.590 177.871 177.300 -0.033 0.000 1.148 325 P CA 1.278 64.317 63.100 -0.102 0.000 0.822 325 P CB -0.188 31.535 31.700 0.038 0.000 0.784 326 F N -4.003 115.992 119.950 0.075 0.000 2.692 326 F HA 0.363 4.877 4.527 -0.021 0.000 0.303 326 F C 0.914 176.745 175.800 0.050 0.000 1.114 326 F CA 0.009 58.046 58.000 0.061 0.000 1.361 326 F CB -0.494 38.541 39.000 0.059 0.000 1.063 326 F HN -0.261 nan 8.300 nan 0.000 0.550 327 L N 1.641 122.855 121.223 -0.015 0.000 3.429 327 L HA 0.185 4.512 4.340 -0.021 0.000 0.311 327 L C 0.270 177.009 176.870 -0.217 0.000 1.274 327 L CA -0.740 54.090 54.840 -0.017 0.000 1.037 327 L CB -0.628 41.409 42.059 -0.036 0.000 1.433 327 L HN 0.223 nan 8.230 nan 0.000 0.614 328 D N -0.217 120.051 120.400 -0.220 0.000 2.363 328 D HA -0.045 4.583 4.640 -0.021 0.000 0.240 328 D C 1.703 177.689 176.300 -0.523 0.000 1.236 328 D CA -0.217 53.620 54.000 -0.271 0.000 0.927 328 D CB 1.245 41.948 40.800 -0.160 0.000 1.150 328 D HN 0.285 nan 8.370 nan 0.000 0.458 329 I N -1.917 118.393 120.570 -0.434 0.000 2.850 329 I HA -0.211 3.947 4.170 -0.021 0.000 0.266 329 I C 1.904 177.729 176.117 -0.487 0.000 1.257 329 I CA 1.221 62.197 61.300 -0.540 0.000 1.465 329 I CB -0.484 37.372 38.000 -0.240 0.000 1.091 329 I HN 0.297 nan 8.210 nan 0.000 0.467 330 S N -0.530 114.987 115.700 -0.305 0.000 2.528 330 S HA -0.073 4.384 4.470 -0.021 0.000 0.219 330 S C 1.036 175.660 174.600 0.040 0.000 0.985 330 S CA -0.116 58.031 58.200 -0.089 0.000 0.914 330 S CB -0.704 62.495 63.200 -0.003 0.000 0.776 330 S HN 0.599 nan 8.310 nan 0.000 0.526 331 Y N 1.432 121.750 120.300 0.031 0.000 4.236 331 Y HA -0.266 4.272 4.550 -0.020 0.000 0.220 331 Y C 1.406 177.476 175.900 0.282 0.000 1.115 331 Y CA 0.744 58.900 58.100 0.093 0.000 1.811 331 Y CB -2.474 35.952 38.460 -0.057 0.000 1.581 331 Y HN 0.395 nan 8.280 nan 0.000 0.643 332 K N 0.094 120.699 120.400 0.341 0.000 2.288 332 K HA -0.080 4.228 4.320 -0.021 0.000 0.201 332 K C 1.329 178.056 176.600 0.212 0.000 1.048 332 K CA 1.288 57.757 56.287 0.302 0.000 0.956 332 K CB -0.075 32.535 32.500 0.183 0.000 0.746 332 K HN 0.425 nan 8.250 nan 0.000 0.461 333 K N 0.542 121.073 120.400 0.218 0.000 2.387 333 K HA 0.146 4.453 4.320 -0.021 0.000 0.198 333 K C 1.541 178.267 176.600 0.211 0.000 1.022 333 K CA -0.101 56.302 56.287 0.193 0.000 1.128 333 K CB 0.283 32.909 32.500 0.211 0.000 0.853 333 K HN 0.077 nan 8.250 nan 0.000 0.523 334 I N 2.441 123.177 120.570 0.276 0.000 2.361 334 I HA -0.289 3.869 4.170 -0.021 0.000 0.251 334 I C 1.035 177.273 176.117 0.202 0.000 1.133 334 I CA 1.753 63.221 61.300 0.280 0.000 1.413 334 I CB 0.068 38.288 38.000 0.366 0.000 1.073 334 I HN 0.255 nan 8.210 nan 0.000 0.424 335 D N -0.248 120.254 120.400 0.170 0.000 2.348 335 D HA -0.176 4.452 4.640 -0.021 0.000 0.216 335 D C 1.812 178.155 176.300 0.072 0.000 0.970 335 D CA 0.472 54.548 54.000 0.126 0.000 0.889 335 D CB -0.231 40.623 40.800 0.090 0.000 0.912 335 D HN 0.199 nan 8.370 nan 0.000 0.524 336 K N 0.296 120.713 120.400 0.029 0.000 2.209 336 K HA 0.013 4.320 4.320 -0.021 0.000 0.204 336 K C 0.644 177.172 176.600 -0.121 0.000 1.048 336 K CA 0.395 56.654 56.287 -0.047 0.000 0.940 336 K CB -0.010 32.432 32.500 -0.096 0.000 0.729 336 K HN 0.381 nan 8.250 nan 0.000 0.451 337 I N 2.503 122.982 120.570 -0.152 0.000 2.352 337 I HA -0.013 4.145 4.170 -0.021 0.000 0.290 337 I C 0.235 176.403 176.117 0.084 0.000 1.036 337 I CA -0.586 60.570 61.300 -0.240 0.000 1.336 337 I CB 0.599 38.181 38.000 -0.697 0.000 1.407 337 I HN -0.105 nan 8.210 nan 0.000 0.497 338 D N 5.641 126.132 120.400 0.151 0.000 2.325 338 D HA 0.231 4.858 4.640 -0.021 0.000 0.251 338 D C 0.881 177.461 176.300 0.468 0.000 1.196 338 D CA -0.127 54.034 54.000 0.268 0.000 0.866 338 D CB 1.685 42.628 40.800 0.238 0.000 1.101 338 D HN 0.634 nan 8.370 nan 0.000 0.476 339 A N 4.632 127.722 122.820 0.449 0.000 2.067 339 A HA -0.150 4.157 4.320 -0.021 0.000 0.219 339 A C 1.418 179.327 177.584 0.541 0.000 1.158 339 A CA 0.727 53.100 52.037 0.561 0.000 0.661 339 A CB -0.145 19.002 19.000 0.245 0.000 0.801 339 A HN 0.590 nan 8.150 nan 0.000 0.452 340 N N -1.082 117.834 118.700 0.360 0.000 2.346 340 N HA 0.042 4.770 4.740 -0.021 0.000 0.225 340 N C 0.656 176.299 175.510 0.222 0.000 1.144 340 N CA -0.047 53.192 53.050 0.314 0.000 0.837 340 N CB -0.274 38.339 38.487 0.211 0.000 1.069 340 N HN 0.609 nan 8.380 nan 0.000 0.487 341 Y N 0.539 120.841 120.300 0.003 0.000 2.193 341 Y HA -0.184 4.353 4.550 -0.021 0.000 0.285 341 Y C 0.758 176.399 175.900 -0.431 0.000 1.166 341 Y CA 1.682 59.579 58.100 -0.337 0.000 1.181 341 Y CB -0.112 37.879 38.460 -0.781 0.000 0.976 341 Y HN -0.031 nan 8.280 nan 0.000 0.520 342 F N -0.717 119.253 119.950 0.034 0.000 2.641 342 F HA 0.213 4.728 4.527 -0.020 0.000 0.302 342 F C 1.513 177.518 175.800 0.342 0.000 1.098 342 F CA -0.119 57.935 58.000 0.089 0.000 1.318 342 F CB -0.588 38.461 39.000 0.082 0.000 1.035 342 F HN 0.079 nan 8.300 nan 0.000 0.551 343 N N 0.599 119.534 118.700 0.392 0.000 2.300 343 N HA -0.082 4.645 4.740 -0.021 0.000 0.179 343 N C 0.507 176.131 175.510 0.190 0.000 1.016 343 N CA 0.346 53.602 53.050 0.343 0.000 0.876 343 N CB -0.071 38.553 38.487 0.229 0.000 0.979 343 N HN 0.277 nan 8.380 nan 0.000 0.432 344 N N 1.911 120.641 118.700 0.051 0.000 2.515 344 N HA 0.223 4.950 4.740 -0.021 0.000 0.279 344 N C -2.996 172.291 175.510 -0.372 0.000 1.164 344 N CA -1.505 51.473 53.050 -0.120 0.000 0.982 344 N CB 0.296 38.684 38.487 -0.164 0.000 1.170 344 N HN -0.212 nan 8.380 nan 0.000 0.474 345 P HA -0.049 nan 4.420 nan 0.000 0.264 345 P C -0.107 176.897 177.300 -0.494 0.000 1.183 345 P CA 0.291 62.810 63.100 -0.969 0.000 0.763 345 P CB 0.404 31.714 31.700 -0.650 0.000 0.807 346 S N 2.377 117.864 115.700 -0.355 0.000 2.549 346 S HA 0.154 4.612 4.470 -0.021 0.000 0.279 346 S C 1.370 175.852 174.600 -0.197 0.000 1.321 346 S CA -0.457 57.620 58.200 -0.205 0.000 1.054 346 S CB -0.227 62.984 63.200 0.019 0.000 0.899 346 S HN 0.279 nan 8.310 nan 0.000 0.497 347 L N 3.887 124.979 121.223 -0.219 0.000 2.071 347 L HA 0.051 4.379 4.340 -0.021 0.000 0.201 347 L C 1.478 178.116 176.870 -0.386 0.000 1.076 347 L CA 1.251 55.870 54.840 -0.367 0.000 0.755 347 L CB -0.416 41.345 42.059 -0.497 0.000 0.915 347 L HN 0.653 nan 8.230 nan 0.000 0.445 348 F N -0.167 119.825 119.950 0.071 0.000 2.243 348 F HA 0.175 4.689 4.527 -0.021 0.000 0.287 348 F C 1.241 177.133 175.800 0.154 0.000 1.067 348 F CA -0.323 57.750 58.000 0.121 0.000 1.304 348 F CB -0.043 39.055 39.000 0.163 0.000 1.087 348 F HN -0.210 nan 8.300 nan 0.000 0.513 349 I N 1.786 122.597 120.570 0.401 0.000 2.598 349 I HA -0.036 4.122 4.170 -0.021 0.000 0.284 349 I C -0.057 176.217 176.117 0.261 0.000 1.140 349 I CA -0.122 61.385 61.300 0.345 0.000 1.420 349 I CB -0.019 38.250 38.000 0.449 0.000 1.387 349 I HN 0.012 nan 8.210 nan 0.000 0.553 350 D N 7.233 127.763 120.400 0.217 0.000 2.338 350 D HA 0.126 4.753 4.640 -0.021 0.000 0.255 350 D C 0.515 176.966 176.300 0.252 0.000 1.237 350 D CA 0.176 54.280 54.000 0.173 0.000 0.883 350 D CB 1.020 41.882 40.800 0.103 0.000 1.087 350 D HN 0.459 nan 8.370 nan 0.000 0.485 351 L N 2.611 123.970 121.223 0.228 0.000 2.607 351 L HA 0.045 4.372 4.340 -0.021 0.000 0.228 351 L C 1.033 178.019 176.870 0.194 0.000 1.123 351 L CA -0.144 54.852 54.840 0.260 0.000 0.890 351 L CB -0.072 42.143 42.059 0.259 0.000 1.103 351 L HN 0.314 nan 8.230 nan 0.000 0.468 352 S N 0.191 115.965 115.700 0.123 0.000 2.525 352 S HA 0.277 4.734 4.470 -0.021 0.000 0.285 352 S C 1.308 175.916 174.600 0.014 0.000 1.283 352 S CA 0.407 58.610 58.200 0.006 0.000 1.072 352 S CB 0.927 64.113 63.200 -0.024 0.000 0.867 352 S HN 0.571 nan 8.310 nan 0.000 0.492 353 G N 2.054 110.757 108.800 -0.161 0.000 2.176 353 G HA2 -0.203 3.745 3.960 -0.021 0.000 0.253 353 G HA3 -0.203 3.745 3.960 -0.021 0.000 0.253 353 G C -0.172 174.940 174.900 0.354 0.000 0.979 353 G CA 0.123 45.238 45.100 0.026 0.000 0.641 353 G HN 0.761 nan 8.290 nan 0.000 0.530 354 E N 2.051 122.465 120.200 0.356 0.000 2.180 354 E HA 0.339 4.676 4.350 -0.021 0.000 0.283 354 E C 0.514 177.326 176.600 0.354 0.000 1.061 354 E CA 0.043 56.650 56.400 0.345 0.000 0.861 354 E CB 0.732 30.611 29.700 0.298 0.000 1.056 354 E HN 0.290 nan 8.360 nan 0.000 0.407 355 T N 4.619 119.302 114.554 0.214 0.000 2.934 355 T HA 0.072 4.410 4.350 -0.021 0.000 0.306 355 T C 0.656 175.330 174.700 -0.043 0.000 1.042 355 T CA -0.198 61.913 62.100 0.018 0.000 1.145 355 T CB 0.508 69.373 68.868 -0.006 0.000 0.982 355 T HN 0.093 nan 8.240 nan 0.000 0.544 356 R N 2.264 122.701 120.500 -0.105 0.000 2.607 356 R HA 0.428 4.756 4.340 -0.021 0.000 0.261 356 R C 1.620 177.822 176.300 -0.163 0.000 1.051 356 R CA -0.994 55.021 56.100 -0.141 0.000 1.110 356 R CB 0.275 30.513 30.300 -0.104 0.000 1.158 356 R HN 0.545 nan 8.270 nan 0.000 0.543 357 L N 0.360 121.455 121.223 -0.213 0.000 2.027 357 L HA -0.118 4.209 4.340 -0.021 0.000 0.206 357 L C 0.733 177.513 176.870 -0.149 0.000 1.074 357 L CA 1.382 56.100 54.840 -0.204 0.000 0.745 357 L CB -0.109 41.732 42.059 -0.362 0.000 0.898 357 L HN 0.515 nan 8.230 nan 0.000 0.433 358 N N -0.478 118.111 118.700 -0.186 0.000 2.700 358 N HA 0.194 4.922 4.740 -0.021 0.000 0.242 358 N C -1.438 173.955 175.510 -0.195 0.000 1.541 358 N CA 0.080 53.039 53.050 -0.153 0.000 0.764 358 N CB 0.986 39.408 38.487 -0.109 0.000 1.319 358 N HN -0.024 nan 8.380 nan 0.000 0.518 359 S N 0.330 115.933 115.700 -0.162 0.000 2.597 359 S HA 0.432 4.889 4.470 -0.021 0.000 0.274 359 S C -2.091 172.438 174.600 -0.119 0.000 1.132 359 S CA -0.659 57.471 58.200 -0.117 0.000 0.835 359 S CB 0.699 63.857 63.200 -0.071 0.000 1.092 359 S HN 0.408 nan 8.310 nan 0.000 0.457 360 D N 0.960 121.305 120.400 -0.093 0.000 2.392 360 D HA 0.527 5.155 4.640 -0.021 0.000 0.246 360 D C 1.079 177.335 176.300 -0.073 0.000 1.013 360 D CA -0.714 53.167 54.000 -0.198 0.000 0.993 360 D CB -0.074 40.630 40.800 -0.161 0.000 1.219 360 D HN 0.296 nan 8.370 nan 0.000 0.538 361 F N 0.224 120.188 119.950 0.023 0.000 2.043 361 F HA -0.169 4.347 4.527 -0.018 0.000 0.297 361 F C 2.349 178.157 175.800 0.013 0.000 1.118 361 F CA 1.325 59.338 58.000 0.021 0.000 1.202 361 F CB -1.031 37.991 39.000 0.036 0.000 0.965 361 F HN 0.376 nan 8.300 nan 0.000 0.482 362 K N 0.165 120.689 120.400 0.206 0.000 2.007 362 K HA -0.319 3.988 4.320 -0.021 0.000 0.231 362 K C 1.987 178.636 176.600 0.082 0.000 1.044 362 K CA 2.574 58.931 56.287 0.116 0.000 0.996 362 K CB -0.521 32.028 32.500 0.081 0.000 0.738 362 K HN 0.390 nan 8.250 nan 0.000 0.447 363 E N -0.465 119.781 120.200 0.077 0.000 2.110 363 E HA -0.183 4.155 4.350 -0.021 0.000 0.193 363 E C 2.024 178.641 176.600 0.027 0.000 0.988 363 E CA 0.968 57.423 56.400 0.092 0.000 0.804 363 E CB -0.104 29.689 29.700 0.155 0.000 0.745 363 E HN 0.418 nan 8.360 nan 0.000 0.458 364 A N 2.002 124.811 122.820 -0.018 0.000 1.873 364 A HA -0.203 4.105 4.320 -0.021 0.000 0.215 364 A C 1.830 179.161 177.584 -0.422 0.000 1.186 364 A CA 1.571 53.434 52.037 -0.290 0.000 0.616 364 A CB -0.323 18.595 19.000 -0.136 0.000 0.823 364 A HN 0.083 nan 8.150 nan 0.000 0.442 365 D N 0.187 120.497 120.400 -0.150 0.000 2.117 365 D HA -0.086 4.542 4.640 -0.021 0.000 0.197 365 D C 2.256 178.560 176.300 0.008 0.000 0.987 365 D CA 1.445 55.436 54.000 -0.015 0.000 0.829 365 D CB -0.383 40.476 40.800 0.098 0.000 0.961 365 D HN 0.420 nan 8.370 nan 0.000 0.460 366 A N 0.741 123.563 122.820 0.003 0.000 1.883 366 A HA -0.211 4.097 4.320 -0.021 0.000 0.217 366 A C 2.148 179.733 177.584 0.002 0.000 1.186 366 A CA 1.162 53.212 52.037 0.021 0.000 0.624 366 A CB -1.153 17.874 19.000 0.045 0.000 0.822 366 A HN 0.270 nan 8.150 nan 0.000 0.444 367 F N -0.829 118.964 119.950 -0.263 0.000 2.126 367 F HA -0.237 4.278 4.527 -0.019 0.000 0.299 367 F C 2.210 177.899 175.800 -0.184 0.000 1.096 367 F CA 1.882 59.675 58.000 -0.345 0.000 1.255 367 F CB -0.285 38.202 39.000 -0.855 0.000 0.997 367 F HN 0.382 nan 8.300 nan 0.000 0.479 368 Y N 0.364 120.582 120.300 -0.137 0.000 2.151 368 Y HA -0.350 4.189 4.550 -0.019 0.000 0.284 368 Y C 2.282 178.073 175.900 -0.180 0.000 1.166 368 Y CA 0.974 58.976 58.100 -0.163 0.000 1.163 368 Y CB -0.521 37.901 38.460 -0.064 0.000 0.974 368 Y HN 0.096 nan 8.280 nan 0.000 0.511 369 D N 0.068 120.492 120.400 0.039 0.000 2.078 369 D HA -0.191 4.437 4.640 -0.021 0.000 0.193 369 D C 2.010 178.269 176.300 -0.068 0.000 0.990 369 D CA 1.458 55.452 54.000 -0.010 0.000 0.827 369 D CB -0.327 40.475 40.800 0.003 0.000 0.975 369 D HN 0.155 nan 8.370 nan 0.000 0.451 370 K N 0.088 120.424 120.400 -0.107 0.000 2.063 370 K HA -0.169 4.139 4.320 -0.021 0.000 0.208 370 K C 1.558 178.035 176.600 -0.205 0.000 1.048 370 K CA 1.296 57.503 56.287 -0.133 0.000 0.928 370 K CB 0.081 32.509 32.500 -0.119 0.000 0.713 370 K HN -0.029 nan 8.250 nan 0.000 0.442 371 N N -0.251 118.241 118.700 -0.347 0.000 2.258 371 N HA -0.004 4.724 4.740 -0.021 0.000 0.183 371 N C 0.614 176.012 175.510 -0.187 0.000 1.029 371 N CA 0.774 53.603 53.050 -0.368 0.000 0.857 371 N CB 0.187 38.225 38.487 -0.748 0.000 1.008 371 N HN 0.178 nan 8.380 nan 0.000 0.433 372 R N -0.387 120.035 120.500 -0.131 0.000 4.062 372 R HA -0.275 4.053 4.340 -0.021 0.000 0.218 372 R C -1.147 175.099 176.300 -0.090 0.000 0.267 372 R CA 1.516 57.560 56.100 -0.093 0.000 0.825 372 R CB -1.105 29.146 30.300 -0.082 0.000 0.993 372 R HN 0.314 nan 8.270 nan 0.000 0.561 373 K N 0.087 120.442 120.400 -0.074 0.000 4.309 373 K HA -0.120 4.188 4.320 -0.021 0.000 0.894 373 K C -0.201 176.360 176.600 -0.065 0.000 1.957 373 K CA 0.754 57.004 56.287 -0.061 0.000 1.482 373 K CB -0.634 31.830 32.500 -0.060 0.000 3.115 373 K HN 0.729 nan 8.250 nan 0.000 0.134 374 T N 1.175 115.699 114.554 -0.050 0.000 2.887 374 T HA 0.464 4.802 4.350 -0.021 0.000 0.371 374 T C 0.953 175.621 174.700 -0.054 0.000 1.126 374 T CA -0.175 61.897 62.100 -0.048 0.000 1.043 374 T CB 0.219 69.066 68.868 -0.035 0.000 1.362 374 T HN 0.808 nan 8.240 nan 0.000 0.525 375 A N 0.728 123.520 122.820 -0.047 0.000 2.561 375 A HA 0.297 4.604 4.320 -0.021 0.000 0.234 375 A C 1.140 178.698 177.584 -0.044 0.000 1.055 375 A CA 0.317 52.326 52.037 -0.048 0.000 0.756 375 A CB -1.066 17.911 19.000 -0.039 0.000 0.986 375 A HN 0.943 nan 8.150 nan 0.000 0.505 376 D N 0.476 120.846 120.400 -0.050 0.000 4.435 376 D HA -0.379 4.249 4.640 -0.021 0.000 0.221 376 D C 1.297 177.577 176.300 -0.034 0.000 1.021 376 D CA 2.520 56.496 54.000 -0.040 0.000 2.165 376 D CB -1.396 39.389 40.800 -0.025 0.000 1.159 376 D HN 1.179 nan 8.370 nan 0.000 0.408 377 S N 0.644 116.330 115.700 -0.024 0.000 2.338 377 S HA -0.364 4.094 4.470 -0.021 0.000 0.243 377 S C 0.408 175.006 174.600 -0.003 0.000 1.354 377 S CA 3.004 61.194 58.200 -0.018 0.000 1.754 377 S CB -0.372 62.808 63.200 -0.032 0.000 2.425 377 S HN 0.497 nan 8.310 nan 0.000 0.669 378 K N 0.730 121.127 120.400 -0.006 0.000 2.211 378 K HA 0.641 4.949 4.320 -0.021 0.000 0.237 378 K C -1.644 175.005 176.600 0.081 0.000 1.002 378 K CA -0.998 55.302 56.287 0.021 0.000 0.885 378 K CB 0.518 32.999 32.500 -0.032 0.000 1.136 378 K HN 0.176 nan 8.250 nan 0.000 0.448 379 P HA 0.243 nan 4.420 nan 0.000 0.330 379 P C -1.368 176.046 177.300 0.190 0.000 1.107 379 P CA -0.057 63.155 63.100 0.186 0.000 1.224 379 P CB 0.414 32.315 31.700 0.335 0.000 1.303 380 N N -1.049 117.750 118.700 0.166 0.000 4.098 380 N HA -0.180 4.547 4.740 -0.021 0.000 0.278 380 N C -0.052 175.532 175.510 0.124 0.000 2.166 380 N CA 0.141 53.270 53.050 0.132 0.000 2.665 380 N CB -1.463 37.081 38.487 0.095 0.000 0.415 380 N HN -0.087 nan 8.380 nan 0.000 0.545 381 F N 4.853 124.804 119.950 0.002 0.000 2.075 381 F HA 0.045 4.560 4.527 -0.020 0.000 0.297 381 F C 1.914 177.689 175.800 -0.042 0.000 1.113 381 F CA 1.995 59.980 58.000 -0.025 0.000 1.218 381 F CB -0.257 38.717 39.000 -0.043 0.000 0.984 381 F HN 0.656 nan 8.300 nan 0.000 0.472 382 I N -0.246 120.291 120.570 -0.054 0.000 2.145 382 I HA -0.414 3.744 4.170 -0.021 0.000 0.244 382 I C 2.489 178.325 176.117 -0.469 0.000 1.075 382 I CA 1.884 62.931 61.300 -0.422 0.000 1.332 382 I CB -0.774 36.829 38.000 -0.661 0.000 1.033 382 I HN 0.107 nan 8.210 nan 0.000 0.410 383 S N -0.153 115.380 115.700 -0.278 0.000 2.383 383 S HA -0.165 4.292 4.470 -0.021 0.000 0.227 383 S C 1.652 176.134 174.600 -0.196 0.000 1.026 383 S CA 1.112 59.194 58.200 -0.197 0.000 0.981 383 S CB -0.277 62.931 63.200 0.013 0.000 0.818 383 S HN 0.428 nan 8.310 nan 0.000 0.472 384 D N 0.744 121.082 120.400 -0.104 0.000 2.097 384 D HA -0.099 4.529 4.640 -0.021 0.000 0.195 384 D C 2.172 178.382 176.300 -0.149 0.000 0.989 384 D CA 0.867 54.838 54.000 -0.048 0.000 0.827 384 D CB -0.530 40.211 40.800 -0.099 0.000 0.966 384 D HN 0.365 nan 8.370 nan 0.000 0.456 385 C N 0.212 119.299 119.300 -0.355 0.000 2.432 385 C HA -0.180 4.267 4.460 -0.021 0.000 0.277 385 C C 2.645 177.643 174.990 0.014 0.000 1.249 385 C CA 0.406 59.278 59.018 -0.243 0.000 1.725 385 C CB -1.537 25.986 27.740 -0.362 0.000 2.028 385 C HN 0.303 nan 8.230 nan 0.000 0.477 386 F N 0.740 120.641 119.950 -0.081 0.000 2.069 386 F HA -0.055 4.459 4.527 -0.021 0.000 0.298 386 F C 1.778 177.464 175.800 -0.189 0.000 1.113 386 F CA 2.109 60.059 58.000 -0.084 0.000 1.214 386 F CB -0.732 38.066 39.000 -0.337 0.000 0.978 386 F HN 0.238 nan 8.300 nan 0.000 0.474 387 F N -0.506 119.337 119.950 -0.179 0.000 2.206 387 F HA -0.106 4.409 4.527 -0.021 0.000 0.298 387 F C 2.119 177.955 175.800 0.060 0.000 1.090 387 F CA 0.599 58.522 58.000 -0.129 0.000 1.323 387 F CB -1.019 37.872 39.000 -0.182 0.000 1.028 387 F HN -0.007 nan 8.300 nan 0.000 0.492 388 L N 0.213 121.565 121.223 0.215 0.000 2.042 388 L HA -0.221 4.106 4.340 -0.021 0.000 0.210 388 L C 2.380 179.335 176.870 0.142 0.000 1.076 388 L CA 2.038 57.011 54.840 0.223 0.000 0.749 388 L CB -1.499 40.668 42.059 0.180 0.000 0.893 388 L HN 0.135 nan 8.230 nan 0.000 0.432 389 T N -0.532 113.973 114.554 -0.082 0.000 2.720 389 T HA -0.223 4.115 4.350 -0.021 0.000 0.268 389 T C 2.006 176.579 174.700 -0.213 0.000 1.037 389 T CA 1.674 63.585 62.100 -0.315 0.000 1.144 389 T CB -0.366 68.030 68.868 -0.786 0.000 0.864 389 T HN 0.262 nan 8.240 nan 0.000 0.444 390 L N 0.734 121.912 121.223 -0.076 0.000 2.131 390 L HA -0.103 4.225 4.340 -0.021 0.000 0.210 390 L C 2.886 179.871 176.870 0.193 0.000 1.092 390 L CA 1.082 56.010 54.840 0.147 0.000 0.759 390 L CB -0.924 41.281 42.059 0.244 0.000 0.903 390 L HN 0.301 nan 8.230 nan 0.000 0.435 391 T N -1.587 113.047 114.554 0.134 0.000 2.737 391 T HA -0.200 4.137 4.350 -0.021 0.000 0.265 391 T C 1.697 176.346 174.700 -0.085 0.000 1.038 391 T CA 1.412 63.395 62.100 -0.194 0.000 1.144 391 T CB -0.373 68.447 68.868 -0.080 0.000 0.866 391 T HN 0.201 nan 8.240 nan 0.000 0.434 392 Y N 0.931 121.201 120.300 -0.050 0.000 2.293 392 Y HA 0.041 4.579 4.550 -0.021 0.000 0.291 392 Y C 2.196 178.067 175.900 -0.048 0.000 1.137 392 Y CA 0.261 58.332 58.100 -0.048 0.000 1.202 392 Y CB -0.512 37.868 38.460 -0.133 0.000 0.990 392 Y HN 0.087 nan 8.280 nan 0.000 0.537 393 L N -0.489 120.780 121.223 0.076 0.000 2.081 393 L HA -0.252 4.075 4.340 -0.021 0.000 0.212 393 L C 2.196 179.121 176.870 0.091 0.000 1.080 393 L CA 2.143 57.014 54.840 0.051 0.000 0.754 393 L CB -0.764 41.314 42.059 0.032 0.000 0.893 393 L HN 0.295 nan 8.230 nan 0.000 0.433 394 H N -1.977 117.043 119.070 -0.084 0.000 2.306 394 H HA -0.067 4.477 4.556 -0.020 0.000 0.307 394 H C 1.768 176.935 175.328 -0.269 0.000 1.061 394 H CA 2.222 58.137 56.048 -0.222 0.000 1.359 394 H CB -0.326 29.147 29.762 -0.482 0.000 1.407 394 H HN 0.374 nan 8.280 nan 0.000 0.517 395 Y N -0.326 119.860 120.300 -0.190 0.000 2.365 395 Y HA 0.154 4.692 4.550 -0.021 0.000 0.293 395 Y C 2.481 178.309 175.900 -0.120 0.000 1.119 395 Y CA 0.784 58.741 58.100 -0.240 0.000 1.203 395 Y CB -0.435 37.887 38.460 -0.230 0.000 1.026 395 Y HN 0.334 nan 8.280 nan 0.000 0.549 396 G N -0.101 108.747 108.800 0.081 0.000 2.648 396 G HA2 -0.086 3.861 3.960 -0.021 0.000 0.217 396 G HA3 -0.086 3.861 3.960 -0.021 0.000 0.217 396 G C 1.559 176.550 174.900 0.152 0.000 1.386 396 G CA 0.300 45.490 45.100 0.151 0.000 0.920 396 G HN 0.201 nan 8.290 nan 0.000 0.540 397 L N 1.077 122.409 121.223 0.182 0.000 2.043 397 L HA -0.113 4.215 4.340 -0.021 0.000 0.212 397 L C 3.147 180.162 176.870 0.242 0.000 1.075 397 L CA 1.350 56.355 54.840 0.275 0.000 0.752 397 L CB -0.767 41.466 42.059 0.290 0.000 0.891 397 L HN 0.419 nan 8.230 nan 0.000 0.432 398 G N -0.693 108.180 108.800 0.120 0.000 2.432 398 G HA2 -0.194 3.753 3.960 -0.021 0.000 0.219 398 G HA3 -0.194 3.753 3.960 -0.021 0.000 0.219 398 G C 1.512 176.417 174.900 0.007 0.000 1.135 398 G CA 0.738 45.859 45.100 0.034 0.000 0.767 398 G HN 0.519 nan 8.290 nan 0.000 0.550 399 G N -0.211 108.608 108.800 0.031 0.000 2.448 399 G HA2 -0.012 3.935 3.960 -0.021 0.000 0.218 399 G HA3 -0.012 3.935 3.960 -0.021 0.000 0.218 399 G C 1.751 176.746 174.900 0.159 0.000 1.135 399 G CA 1.514 46.664 45.100 0.084 0.000 0.784 399 G HN 0.376 nan 8.290 nan 0.000 0.543 400 T N 1.603 116.271 114.554 0.191 0.000 2.851 400 T HA -0.068 4.270 4.350 -0.021 0.000 0.262 400 T C 2.361 177.267 174.700 0.342 0.000 1.043 400 T CA 1.351 63.624 62.100 0.288 0.000 1.140 400 T CB -0.175 68.893 68.868 0.334 0.000 0.872 400 T HN 0.321 nan 8.240 nan 0.000 0.446 401 L N 1.641 122.930 121.223 0.110 0.000 2.156 401 L HA 0.149 4.477 4.340 -0.021 0.000 0.208 401 L C 2.457 179.121 176.870 -0.343 0.000 1.095 401 L CA 1.620 56.142 54.840 -0.531 0.000 0.770 401 L CB -1.464 39.745 42.059 -1.418 0.000 0.914 401 L HN 0.192 nan 8.230 nan 0.000 0.439 402 S N -0.484 115.169 115.700 -0.078 0.000 2.383 402 S HA -0.181 4.276 4.470 -0.021 0.000 0.227 402 S C 2.008 176.704 174.600 0.160 0.000 1.026 402 S CA 0.852 59.078 58.200 0.044 0.000 0.981 402 S CB -1.303 61.950 63.200 0.087 0.000 0.818 402 S HN 0.417 nan 8.310 nan 0.000 0.472 403 F N 3.053 123.047 119.950 0.074 0.000 2.065 403 F HA -0.124 4.390 4.527 -0.021 0.000 0.298 403 F C 2.724 178.562 175.800 0.063 0.000 1.112 403 F CA 2.197 60.252 58.000 0.093 0.000 1.212 403 F CB -0.450 38.599 39.000 0.081 0.000 0.975 403 F HN 0.230 nan 8.300 nan 0.000 0.476 404 E N 0.455 120.753 120.200 0.162 0.000 2.150 404 E HA -0.237 4.101 4.350 -0.021 0.000 0.193 404 E C 2.150 178.788 176.600 0.065 0.000 0.985 404 E CA 1.272 57.731 56.400 0.098 0.000 0.814 404 E CB -0.290 29.595 29.700 0.309 0.000 0.752 404 E HN 0.666 nan 8.360 nan 0.000 0.466 405 E N 0.324 120.579 120.200 0.091 0.000 2.110 405 E HA -0.155 4.182 4.350 -0.021 0.000 0.193 405 E C 1.720 178.348 176.600 0.047 0.000 0.988 405 E CA 1.112 57.587 56.400 0.125 0.000 0.804 405 E CB 0.146 29.932 29.700 0.144 0.000 0.745 405 E HN 0.055 nan 8.360 nan 0.000 0.458 406 K N -0.370 120.038 120.400 0.014 0.000 2.432 406 K HA 0.024 4.332 4.320 -0.021 0.000 0.196 406 K C 1.819 178.381 176.600 -0.063 0.000 1.038 406 K CA 0.466 56.751 56.287 -0.002 0.000 0.986 406 K CB 0.128 32.640 32.500 0.020 0.000 0.782 406 K HN 0.185 nan 8.250 nan 0.000 0.485 407 M N -0.417 119.113 119.600 -0.117 0.000 2.229 407 M HA -0.086 4.381 4.480 -0.021 0.000 0.264 407 M C 2.222 178.456 176.300 -0.110 0.000 1.063 407 M CA 1.610 56.813 55.300 -0.161 0.000 1.114 407 M CB -0.459 32.014 32.600 -0.212 0.000 1.387 407 M HN 0.352 nan 8.290 nan 0.000 0.420 408 G N -0.215 108.536 108.800 -0.083 0.000 2.469 408 G HA2 -0.217 3.731 3.960 -0.021 0.000 0.219 408 G HA3 -0.217 3.731 3.960 -0.021 0.000 0.219 408 G C 1.601 176.469 174.900 -0.053 0.000 1.150 408 G CA 1.379 46.435 45.100 -0.074 0.000 0.763 408 G HN 0.450 nan 8.290 nan 0.000 0.561 409 S N 0.332 116.012 115.700 -0.033 0.000 2.395 409 S HA -0.005 4.452 4.470 -0.021 0.000 0.225 409 S C 2.108 176.696 174.600 -0.020 0.000 1.027 409 S CA 1.123 59.314 58.200 -0.015 0.000 0.965 409 S CB -0.118 63.089 63.200 0.010 0.000 0.812 409 S HN 0.582 nan 8.310 nan 0.000 0.482 410 E N 1.016 121.195 120.200 -0.035 0.000 2.077 410 E HA -0.105 4.233 4.350 -0.021 0.000 0.193 410 E C 1.893 178.468 176.600 -0.043 0.000 0.989 410 E CA 1.061 57.438 56.400 -0.037 0.000 0.800 410 E CB -0.266 29.392 29.700 -0.069 0.000 0.746 410 E HN 0.455 nan 8.360 nan 0.000 0.452 411 I N 1.166 121.700 120.570 -0.060 0.000 2.142 411 I HA -0.286 3.872 4.170 -0.021 0.000 0.240 411 I C 2.622 178.715 176.117 -0.040 0.000 1.078 411 I CA 1.144 62.409 61.300 -0.058 0.000 1.343 411 I CB -0.197 37.754 38.000 -0.081 0.000 1.046 411 I HN 0.023 nan 8.210 nan 0.000 0.405 412 K N 1.356 121.734 120.400 -0.037 0.000 2.032 412 K HA -0.229 4.079 4.320 -0.021 0.000 0.209 412 K C 2.188 178.778 176.600 -0.017 0.000 1.048 412 K CA 1.698 57.970 56.287 -0.026 0.000 0.927 412 K CB -0.160 32.326 32.500 -0.023 0.000 0.712 412 K HN 0.299 nan 8.250 nan 0.000 0.441 413 A N 1.311 124.123 122.820 -0.013 0.000 1.877 413 A HA -0.161 4.146 4.320 -0.021 0.000 0.216 413 A C 2.053 179.631 177.584 -0.010 0.000 1.186 413 A CA 1.261 53.294 52.037 -0.007 0.000 0.620 413 A CB -0.640 18.360 19.000 0.001 0.000 0.822 413 A HN 0.352 nan 8.150 nan 0.000 0.443 414 L N 0.034 121.248 121.223 -0.015 0.000 2.017 414 L HA -0.153 4.175 4.340 -0.021 0.000 0.208 414 L C 2.299 179.158 176.870 -0.018 0.000 1.073 414 L CA 2.086 56.916 54.840 -0.017 0.000 0.745 414 L CB -0.711 41.335 42.059 -0.022 0.000 0.894 414 L HN 0.377 nan 8.230 nan 0.000 0.432 415 K N -0.682 119.707 120.400 -0.019 0.000 2.103 415 K HA -0.214 4.093 4.320 -0.021 0.000 0.207 415 K C 1.930 178.521 176.600 -0.015 0.000 1.048 415 K CA 1.793 58.069 56.287 -0.018 0.000 0.930 415 K CB -0.140 32.349 32.500 -0.018 0.000 0.716 415 K HN 0.463 nan 8.250 nan 0.000 0.444 416 E N 0.430 120.622 120.200 -0.013 0.000 2.072 416 E HA -0.151 4.186 4.350 -0.021 0.000 0.191 416 E C 2.040 178.633 176.600 -0.011 0.000 0.985 416 E CA 0.675 57.068 56.400 -0.010 0.000 0.801 416 E CB 0.138 29.834 29.700 -0.007 0.000 0.750 416 E HN 0.165 nan 8.360 nan 0.000 0.452 417 E N 0.766 120.959 120.200 -0.012 0.000 2.072 417 E HA -0.134 4.204 4.350 -0.021 0.000 0.191 417 E C 2.042 178.628 176.600 -0.023 0.000 0.985 417 E CA 0.724 57.116 56.400 -0.014 0.000 0.801 417 E CB -0.103 29.589 29.700 -0.013 0.000 0.750 417 E HN 0.301 nan 8.360 nan 0.000 0.452 418 I N 0.723 121.278 120.570 -0.026 0.000 2.226 418 I HA -0.266 3.892 4.170 -0.021 0.000 0.245 418 I C 2.558 178.657 176.117 -0.030 0.000 1.100 418 I CA 1.280 62.561 61.300 -0.033 0.000 1.374 418 I CB -0.193 37.789 38.000 -0.029 0.000 1.057 418 I HN 0.152 nan 8.210 nan 0.000 0.413 419 E N 1.398 121.585 120.200 -0.021 0.000 2.077 419 E HA -0.312 4.025 4.350 -0.021 0.000 0.193 419 E C 2.201 178.791 176.600 -0.016 0.000 0.989 419 E CA 1.573 57.962 56.400 -0.017 0.000 0.800 419 E CB 0.009 29.702 29.700 -0.013 0.000 0.746 419 E HN 0.329 nan 8.360 nan 0.000 0.452 420 K N -0.018 120.374 120.400 -0.014 0.000 2.057 420 K HA -0.103 4.204 4.320 -0.021 0.000 0.206 420 K C 1.938 178.529 176.600 -0.015 0.000 1.050 420 K CA 1.434 57.716 56.287 -0.008 0.000 0.935 420 K CB 0.024 32.523 32.500 -0.002 0.000 0.715 420 K HN 0.048 nan 8.250 nan 0.000 0.439 421 V N 1.507 121.403 119.914 -0.030 0.000 2.626 421 V HA -0.156 3.951 4.120 -0.021 0.000 0.252 421 V C 1.954 178.012 176.094 -0.061 0.000 1.067 421 V CA 1.610 63.879 62.300 -0.052 0.000 1.081 421 V CB -0.406 31.369 31.823 -0.081 0.000 0.686 421 V HN 0.314 nan 8.190 nan 0.000 0.468 422 K N 0.092 120.464 120.400 -0.047 0.000 2.362 422 K HA -0.099 4.208 4.320 -0.021 0.000 0.200 422 K C 1.940 178.521 176.600 -0.032 0.000 1.046 422 K CA 0.894 57.156 56.287 -0.043 0.000 0.952 422 K CB -0.060 32.420 32.500 -0.033 0.000 0.753 422 K HN 0.458 nan 8.250 nan 0.000 0.466 423 K N 0.179 120.567 120.400 -0.021 0.000 2.418 423 K HA 0.086 4.393 4.320 -0.021 0.000 0.195 423 K C 0.161 176.759 176.600 -0.002 0.000 1.035 423 K CA 0.170 56.452 56.287 -0.008 0.000 1.003 423 K CB 0.250 32.751 32.500 0.002 0.000 0.793 423 K HN 0.071 nan 8.250 nan 0.000 0.494 424 I N 2.085 122.646 120.570 -0.014 0.000 2.533 424 I HA -0.041 4.116 4.170 -0.021 0.000 0.284 424 I C 0.161 176.273 176.117 -0.008 0.000 1.109 424 I CA -0.331 60.970 61.300 0.001 0.000 1.412 424 I CB 0.889 38.871 38.000 -0.030 0.000 1.396 424 I HN 0.051 nan 8.210 nan 0.000 0.543 425 A N 6.687 129.529 122.820 0.037 0.000 2.415 425 A HA 0.626 4.933 4.320 -0.021 0.000 0.309 425 A C 0.346 177.980 177.584 0.083 0.000 1.356 425 A CA -0.437 51.626 52.037 0.042 0.000 0.998 425 A CB 0.005 19.037 19.000 0.053 0.000 1.145 425 A HN 0.794 nan 8.150 nan 0.000 0.545 426 A N 3.498 126.336 122.820 0.030 0.000 2.621 426 A HA 0.400 4.707 4.320 -0.021 0.000 0.329 426 A C 0.640 178.312 177.584 0.147 0.000 1.458 426 A CA -0.681 51.408 52.037 0.086 0.000 1.052 426 A CB -0.393 18.481 19.000 -0.211 0.000 1.142 426 A HN 0.762 nan 8.150 nan 0.000 0.523 427 N N 0.704 119.524 118.700 0.202 0.000 2.289 427 N HA -0.096 4.632 4.740 -0.021 0.000 0.184 427 N C 0.557 176.171 175.510 0.174 0.000 1.016 427 N CA 1.091 54.236 53.050 0.157 0.000 0.872 427 N CB -0.134 38.441 38.487 0.147 0.000 0.973 427 N HN 0.789 nan 8.380 nan 0.000 0.433 428 H N 0.195 119.371 119.070 0.176 0.000 2.489 428 H HA 0.060 4.603 4.556 -0.021 0.000 0.322 428 H C 0.240 175.661 175.328 0.155 0.000 1.091 428 H CA -0.165 55.974 56.048 0.151 0.000 1.291 428 H CB 1.275 31.134 29.762 0.162 0.000 1.436 428 H HN 0.044 nan 8.280 nan 0.000 0.480 429 D N 3.022 123.369 120.400 -0.088 0.000 2.123 429 D HA -0.168 4.459 4.640 -0.021 0.000 0.196 429 D C 1.839 178.238 176.300 0.166 0.000 0.992 429 D CA 1.472 55.487 54.000 0.025 0.000 0.833 429 D CB 0.436 41.205 40.800 -0.052 0.000 0.954 429 D HN 0.363 nan 8.370 nan 0.000 0.455 430 V N 0.139 120.237 119.914 0.307 0.000 2.295 430 V HA -0.197 3.910 4.120 -0.021 0.000 0.246 430 V C 2.130 178.461 176.094 0.394 0.000 1.049 430 V CA 1.530 64.033 62.300 0.338 0.000 1.024 430 V CB -0.762 31.277 31.823 0.359 0.000 0.648 430 V HN 0.274 nan 8.190 nan 0.000 0.447 431 F N 1.585 121.705 119.950 0.283 0.000 2.134 431 F HA -0.116 4.398 4.527 -0.021 0.000 0.299 431 F C 2.309 178.257 175.800 0.246 0.000 1.097 431 F CA 1.090 59.231 58.000 0.235 0.000 1.264 431 F CB -0.871 38.228 39.000 0.164 0.000 1.001 431 F HN 0.083 nan 8.300 nan 0.000 0.479 432 A N 0.337 123.246 122.820 0.149 0.000 1.908 432 A HA -0.209 4.098 4.320 -0.021 0.000 0.218 432 A C 2.372 179.957 177.584 0.002 0.000 1.181 432 A CA 1.784 53.809 52.037 -0.019 0.000 0.627 432 A CB -0.701 18.311 19.000 0.020 0.000 0.818 432 A HN 0.424 nan 8.150 nan 0.000 0.445 433 R N -1.947 118.607 120.500 0.090 0.000 2.081 433 R HA -0.092 4.236 4.340 -0.021 0.000 0.235 433 R C 1.960 178.323 176.300 0.105 0.000 1.131 433 R CA 1.514 57.664 56.100 0.084 0.000 0.960 433 R CB -0.501 29.862 30.300 0.105 0.000 0.856 433 R HN 0.599 nan 8.270 nan 0.000 0.436 434 F N 1.483 121.441 119.950 0.014 0.000 2.069 434 F HA -0.235 4.280 4.527 -0.021 0.000 0.298 434 F C 1.879 177.643 175.800 -0.060 0.000 1.113 434 F CA 1.412 59.423 58.000 0.018 0.000 1.214 434 F CB -0.179 38.897 39.000 0.127 0.000 0.978 434 F HN -0.122 nan 8.300 nan 0.000 0.474 435 I N 0.031 120.397 120.570 -0.340 0.000 2.226 435 I HA -0.258 3.900 4.170 -0.021 0.000 0.245 435 I C 2.388 178.312 176.117 -0.322 0.000 1.100 435 I CA 1.720 62.730 61.300 -0.482 0.000 1.374 435 I CB -1.898 35.811 38.000 -0.485 0.000 1.057 435 I HN 0.204 nan 8.210 nan 0.000 0.413 436 T N 1.012 115.445 114.554 -0.202 0.000 2.904 436 T HA -0.007 4.330 4.350 -0.021 0.000 0.267 436 T C 1.988 176.617 174.700 -0.119 0.000 1.059 436 T CA 1.235 63.255 62.100 -0.133 0.000 1.137 436 T CB -0.059 68.762 68.868 -0.079 0.000 0.879 436 T HN 0.433 nan 8.240 nan 0.000 0.467 437 A N 1.262 124.010 122.820 -0.120 0.000 1.930 437 A HA -0.111 4.196 4.320 -0.021 0.000 0.217 437 A C 2.356 179.853 177.584 -0.144 0.000 1.175 437 A CA 1.085 53.068 52.037 -0.090 0.000 0.627 437 A CB -0.363 18.622 19.000 -0.025 0.000 0.815 437 A HN 0.327 nan 8.150 nan 0.000 0.443 438 Q N -0.100 119.533 119.800 -0.278 0.000 2.046 438 Q HA -0.040 4.287 4.340 -0.021 0.000 0.200 438 Q C 2.186 178.080 176.000 -0.176 0.000 0.975 438 Q CA 1.166 56.802 55.803 -0.279 0.000 0.836 438 Q CB -0.646 27.805 28.738 -0.477 0.000 0.896 438 Q HN 0.696 nan 8.270 nan 0.000 0.428 439 L N 1.069 122.190 121.223 -0.170 0.000 2.042 439 L HA -0.211 4.116 4.340 -0.021 0.000 0.210 439 L C 2.654 179.478 176.870 -0.077 0.000 1.076 439 L CA 1.633 56.407 54.840 -0.110 0.000 0.749 439 L CB -0.586 41.413 42.059 -0.101 0.000 0.893 439 L HN 0.265 nan 8.230 nan 0.000 0.432 440 S N -0.344 115.311 115.700 -0.074 0.000 2.406 440 S HA -0.213 4.245 4.470 -0.021 0.000 0.228 440 S C 2.077 176.656 174.600 -0.036 0.000 1.020 440 S CA 1.078 59.251 58.200 -0.046 0.000 0.965 440 S CB -0.176 63.001 63.200 -0.037 0.000 0.798 440 S HN 0.377 nan 8.310 nan 0.000 0.488 441 K N 0.495 120.869 120.400 -0.043 0.000 2.057 441 K HA -0.011 4.296 4.320 -0.021 0.000 0.206 441 K C 2.270 178.855 176.600 -0.025 0.000 1.050 441 K CA 1.448 57.719 56.287 -0.027 0.000 0.935 441 K CB -0.288 32.196 32.500 -0.027 0.000 0.715 441 K HN 0.454 nan 8.250 nan 0.000 0.439 442 M N 0.531 120.108 119.600 -0.038 0.000 2.132 442 M HA -0.141 4.326 4.480 -0.021 0.000 0.263 442 M C 1.914 178.200 176.300 -0.023 0.000 1.065 442 M CA 1.638 56.920 55.300 -0.030 0.000 1.122 442 M CB -0.162 32.414 32.600 -0.039 0.000 1.365 442 M HN 0.189 nan 8.290 nan 0.000 0.411 443 E N 0.283 120.467 120.200 -0.026 0.000 2.118 443 E HA -0.217 4.120 4.350 -0.021 0.000 0.195 443 E C 1.994 178.589 176.600 -0.008 0.000 0.992 443 E CA 1.211 57.600 56.400 -0.017 0.000 0.804 443 E CB 0.002 29.691 29.700 -0.019 0.000 0.741 443 E HN 0.335 nan 8.360 nan 0.000 0.458 444 K N 0.278 120.674 120.400 -0.007 0.000 2.002 444 K HA -0.147 4.160 4.320 -0.021 0.000 0.209 444 K C 2.143 178.744 176.600 0.002 0.000 1.048 444 K CA 1.152 57.439 56.287 0.001 0.000 0.930 444 K CB -0.132 32.368 32.500 0.001 0.000 0.714 444 K HN 0.094 nan 8.250 nan 0.000 0.438 445 A N 1.266 124.085 122.820 -0.001 0.000 1.908 445 A HA -0.192 4.115 4.320 -0.021 0.000 0.218 445 A C 2.047 179.625 177.584 -0.010 0.000 1.181 445 A CA 1.537 53.573 52.037 -0.002 0.000 0.627 445 A CB -0.637 18.363 19.000 -0.000 0.000 0.818 445 A HN 0.398 nan 8.150 nan 0.000 0.445 446 L N -0.153 121.063 121.223 -0.012 0.000 2.056 446 L HA -0.109 4.218 4.340 -0.021 0.000 0.207 446 L C 2.304 179.171 176.870 -0.006 0.000 1.078 446 L CA 2.645 57.475 54.840 -0.016 0.000 0.749 446 L CB -0.472 41.578 42.059 -0.015 0.000 0.901 446 L HN 0.467 nan 8.230 nan 0.000 0.433 447 K N -1.483 118.921 120.400 0.008 0.000 2.057 447 K HA -0.152 4.156 4.320 -0.021 0.000 0.206 447 K C 1.865 178.487 176.600 0.035 0.000 1.050 447 K CA 1.788 58.092 56.287 0.028 0.000 0.935 447 K CB -0.171 32.347 32.500 0.029 0.000 0.715 447 K HN 0.372 nan 8.250 nan 0.000 0.439 448 T N 0.363 114.929 114.554 0.021 0.000 2.708 448 T HA -0.113 4.225 4.350 -0.021 0.000 0.266 448 T C 1.744 176.451 174.700 0.011 0.000 1.037 448 T CA 1.957 64.071 62.100 0.024 0.000 1.146 448 T CB -0.353 68.525 68.868 0.017 0.000 0.865 448 T HN 0.363 nan 8.240 nan 0.000 0.435 449 T N 1.935 116.474 114.554 -0.025 0.000 2.737 449 T HA -0.047 4.290 4.350 -0.021 0.000 0.265 449 T C 1.963 176.614 174.700 -0.082 0.000 1.038 449 T CA 1.017 63.069 62.100 -0.079 0.000 1.144 449 T CB -0.226 68.576 68.868 -0.111 0.000 0.866 449 T HN 0.504 nan 8.240 nan 0.000 0.434 450 E N 1.027 121.194 120.200 -0.055 0.000 2.077 450 E HA -0.092 4.245 4.350 -0.021 0.000 0.193 450 E C 2.581 179.177 176.600 -0.007 0.000 0.989 450 E CA 1.170 57.523 56.400 -0.079 0.000 0.800 450 E CB -0.128 29.562 29.700 -0.016 0.000 0.746 450 E HN 0.319 nan 8.360 nan 0.000 0.452 451 S N 0.996 116.761 115.700 0.109 0.000 2.368 451 S HA -0.110 4.348 4.470 -0.021 0.000 0.225 451 S C 2.026 176.701 174.600 0.126 0.000 1.030 451 S CA 0.772 59.099 58.200 0.212 0.000 0.999 451 S CB -0.150 63.164 63.200 0.190 0.000 0.844 451 S HN 0.184 nan 8.310 nan 0.000 0.459 452 L N 0.883 122.146 121.223 0.066 0.000 2.093 452 L HA -0.056 4.271 4.340 -0.021 0.000 0.208 452 L C 2.710 179.591 176.870 0.019 0.000 1.085 452 L CA 1.029 55.910 54.840 0.068 0.000 0.755 452 L CB -0.339 41.782 42.059 0.103 0.000 0.904 452 L HN 0.256 nan 8.230 nan 0.000 0.435 453 R N -0.068 120.385 120.500 -0.078 0.000 2.073 453 R HA -0.201 4.127 4.340 -0.021 0.000 0.234 453 R C 2.340 178.571 176.300 -0.115 0.000 1.134 453 R CA 1.729 57.754 56.100 -0.124 0.000 0.952 453 R CB -0.359 29.790 30.300 -0.252 0.000 0.850 453 R HN 0.169 nan 8.270 nan 0.000 0.433 454 F N 0.484 120.330 119.950 -0.172 0.000 2.069 454 F HA -0.231 4.283 4.527 -0.021 0.000 0.298 454 F C 2.666 178.187 175.800 -0.466 0.000 1.113 454 F CA 1.194 58.969 58.000 -0.375 0.000 1.214 454 F CB -0.398 38.131 39.000 -0.784 0.000 0.978 454 F HN 0.219 nan 8.300 nan 0.000 0.474 455 A N 0.269 122.919 122.820 -0.284 0.000 1.908 455 A HA -0.175 4.133 4.320 -0.021 0.000 0.218 455 A C 2.127 179.788 177.584 0.129 0.000 1.181 455 A CA 1.596 53.641 52.037 0.013 0.000 0.627 455 A CB -1.146 17.970 19.000 0.193 0.000 0.818 455 A HN 0.401 nan 8.150 nan 0.000 0.445 456 L N -0.977 120.338 121.223 0.154 0.000 2.083 456 L HA -0.240 4.088 4.340 -0.021 0.000 0.209 456 L C 2.845 179.940 176.870 0.375 0.000 1.083 456 L CA 1.532 56.540 54.840 0.279 0.000 0.752 456 L CB -0.497 41.786 42.059 0.374 0.000 0.899 456 L HN 0.465 nan 8.230 nan 0.000 0.433 457 Q N -0.398 119.576 119.800 0.290 0.000 2.119 457 Q HA -0.135 4.192 4.340 -0.021 0.000 0.201 457 Q C 2.358 178.375 176.000 0.028 0.000 0.972 457 Q CA 1.311 57.301 55.803 0.312 0.000 0.847 457 Q CB -0.378 28.519 28.738 0.266 0.000 0.903 457 Q HN 0.614 nan 8.270 nan 0.000 0.433 458 G N 0.376 109.073 108.800 -0.172 0.000 2.440 458 G HA2 -0.287 3.661 3.960 -0.021 0.000 0.218 458 G HA3 -0.287 3.661 3.960 -0.021 0.000 0.218 458 G C 1.183 176.080 174.900 -0.005 0.000 1.154 458 G CA 0.624 45.506 45.100 -0.363 0.000 0.767 458 G HN 0.405 nan 8.290 nan 0.000 0.552 459 F N 0.033 119.942 119.950 -0.068 0.000 2.187 459 F HA 0.206 4.721 4.527 -0.021 0.000 0.295 459 F C 2.198 177.883 175.800 -0.191 0.000 1.091 459 F CA 0.800 58.745 58.000 -0.092 0.000 1.308 459 F CB 0.101 38.959 39.000 -0.237 0.000 1.030 459 F HN 0.111 nan 8.300 nan 0.000 0.487 460 F N 0.400 120.183 119.950 -0.280 0.000 2.407 460 F HA 0.036 4.551 4.527 -0.020 0.000 0.299 460 F C 2.414 177.742 175.800 -0.787 0.000 1.097 460 F CA 0.588 58.202 58.000 -0.643 0.000 1.422 460 F CB -0.596 38.046 39.000 -0.596 0.000 1.067 460 F HN 0.059 nan 8.300 nan 0.000 0.539 461 A N -1.280 121.328 122.820 -0.353 0.000 2.206 461 A HA -0.146 4.161 4.320 -0.021 0.000 0.211 461 A C 0.815 178.371 177.584 -0.046 0.000 1.158 461 A CA 0.160 52.102 52.037 -0.159 0.000 0.761 461 A CB -1.283 17.721 19.000 0.006 0.000 0.801 461 A HN 0.492 nan 8.150 nan 0.000 0.473 462 H N 0.199 119.158 119.070 -0.185 0.000 3.330 462 H HA 0.213 4.756 4.556 -0.021 0.000 0.260 462 H C 1.554 176.807 175.328 -0.125 0.000 1.439 462 H CA -0.326 55.652 56.048 -0.117 0.000 1.540 462 H CB -0.013 29.691 29.762 -0.096 0.000 1.698 462 H HN 0.439 nan 8.280 nan 0.000 0.516 463 R N 1.749 122.320 120.500 0.118 0.000 2.091 463 R HA -0.186 4.142 4.340 -0.021 0.000 0.238 463 R C 2.465 178.765 176.300 -0.000 0.000 1.136 463 R CA 1.672 57.791 56.100 0.033 0.000 0.959 463 R CB -0.211 30.115 30.300 0.044 0.000 0.856 463 R HN 0.532 nan 8.270 nan 0.000 0.437 464 S N -0.060 115.673 115.700 0.054 0.000 2.387 464 S HA -0.146 4.311 4.470 -0.021 0.000 0.230 464 S C 1.786 176.267 174.600 -0.197 0.000 1.035 464 S CA 1.172 59.351 58.200 -0.036 0.000 1.014 464 S CB -0.136 63.089 63.200 0.042 0.000 0.836 464 S HN 0.281 nan 8.310 nan 0.000 0.466 465 L N 1.335 122.306 121.223 -0.420 0.000 2.127 465 L HA 0.186 4.513 4.340 -0.021 0.000 0.203 465 L C 2.727 179.439 176.870 -0.263 0.000 1.080 465 L CA 1.476 56.048 54.840 -0.447 0.000 0.768 465 L CB -1.047 40.582 42.059 -0.717 0.000 0.924 465 L HN 0.297 nan 8.230 nan 0.000 0.444 466 Q N -0.690 118.988 119.800 -0.204 0.000 2.167 466 Q HA -0.096 4.231 4.340 -0.021 0.000 0.202 466 Q C 2.379 178.405 176.000 0.044 0.000 0.970 466 Q CA 0.883 56.658 55.803 -0.046 0.000 0.855 466 Q CB -0.322 28.420 28.738 0.006 0.000 0.911 466 Q HN 0.444 nan 8.270 nan 0.000 0.438 467 L N 0.931 122.160 121.223 0.010 0.000 2.043 467 L HA -0.254 4.074 4.340 -0.021 0.000 0.212 467 L C 2.209 179.103 176.870 0.040 0.000 1.075 467 L CA 1.559 56.432 54.840 0.055 0.000 0.752 467 L CB -0.314 41.750 42.059 0.009 0.000 0.891 467 L HN 0.333 nan 8.230 nan 0.000 0.432 468 E N -0.885 119.288 120.200 -0.045 0.000 2.118 468 E HA -0.210 4.128 4.350 -0.021 0.000 0.195 468 E C 2.157 178.731 176.600 -0.044 0.000 0.992 468 E CA 1.346 57.701 56.400 -0.074 0.000 0.804 468 E CB -0.102 29.508 29.700 -0.150 0.000 0.741 468 E HN 0.340 nan 8.360 nan 0.000 0.458 469 V N 0.790 120.667 119.914 -0.062 0.000 2.358 469 V HA -0.213 3.894 4.120 -0.021 0.000 0.246 469 V C 1.965 178.042 176.094 -0.030 0.000 1.047 469 V CA 1.525 63.750 62.300 -0.124 0.000 1.035 469 V CB -0.427 31.208 31.823 -0.314 0.000 0.658 469 V HN 0.205 nan 8.190 nan 0.000 0.452 470 F N 1.277 121.188 119.950 -0.065 0.000 2.259 470 F HA -0.090 4.424 4.527 -0.021 0.000 0.298 470 F C 2.002 177.799 175.800 -0.005 0.000 1.088 470 F CA 1.393 59.390 58.000 -0.006 0.000 1.358 470 F CB -0.241 38.810 39.000 0.085 0.000 1.040 470 F HN 0.215 nan 8.300 nan 0.000 0.505 471 D N -0.385 120.002 120.400 -0.023 0.000 2.144 471 D HA -0.190 4.437 4.640 -0.021 0.000 0.200 471 D C 2.065 178.292 176.300 -0.121 0.000 0.978 471 D CA 1.089 55.034 54.000 -0.092 0.000 0.833 471 D CB -0.698 40.085 40.800 -0.027 0.000 0.961 471 D HN 0.329 nan 8.370 nan 0.000 0.470 472 F N 1.451 121.295 119.950 -0.177 0.000 2.095 472 F HA -0.177 4.337 4.527 -0.021 0.000 0.298 472 F C 2.067 177.775 175.800 -0.153 0.000 1.104 472 F CA 1.237 59.147 58.000 -0.150 0.000 1.232 472 F CB -0.306 38.593 39.000 -0.168 0.000 0.987 472 F HN -0.119 nan 8.300 nan 0.000 0.475 473 I N -0.622 119.765 120.570 -0.305 0.000 2.208 473 I HA -0.407 3.751 4.170 -0.021 0.000 0.245 473 I C 2.481 178.331 176.117 -0.446 0.000 1.097 473 I CA 1.383 62.420 61.300 -0.437 0.000 1.363 473 I CB -0.736 36.958 38.000 -0.510 0.000 1.051 473 I HN 0.308 nan 8.210 nan 0.000 0.413 474 C N 0.498 119.516 119.300 -0.470 0.000 2.476 474 C HA -0.028 4.419 4.460 -0.021 0.000 0.278 474 C C 3.010 177.982 174.990 -0.029 0.000 1.274 474 C CA 0.767 59.654 59.018 -0.219 0.000 1.713 474 C CB -1.704 25.914 27.740 -0.204 0.000 2.039 474 C HN 0.653 nan 8.230 nan 0.000 0.484 475 G N 0.882 109.656 108.800 -0.044 0.000 2.529 475 G HA2 -0.192 3.755 3.960 -0.021 0.000 0.219 475 G HA3 -0.192 3.755 3.960 -0.021 0.000 0.219 475 G C 1.886 176.802 174.900 0.027 0.000 1.177 475 G CA 1.344 46.506 45.100 0.103 0.000 0.773 475 G HN 0.634 nan 8.290 nan 0.000 0.573 476 A N 0.389 123.070 122.820 -0.232 0.000 1.978 476 A HA 0.012 4.319 4.320 -0.021 0.000 0.220 476 A C 2.708 180.327 177.584 0.058 0.000 1.170 476 A CA 2.300 54.304 52.037 -0.055 0.000 0.636 476 A CB -0.520 18.247 19.000 -0.387 0.000 0.810 476 A HN 0.339 nan 8.150 nan 0.000 0.448 477 S N -0.512 115.165 115.700 -0.038 0.000 2.368 477 S HA -0.118 4.339 4.470 -0.021 0.000 0.224 477 S C 2.080 176.720 174.600 0.066 0.000 1.029 477 S CA 1.747 59.915 58.200 -0.053 0.000 0.988 477 S CB -0.520 62.757 63.200 0.129 0.000 0.838 477 S HN 0.718 nan 8.310 nan 0.000 0.462 478 T N 2.190 116.798 114.554 0.090 0.000 2.674 478 T HA -0.102 4.235 4.350 -0.021 0.000 0.265 478 T C 1.458 176.206 174.700 0.080 0.000 1.039 478 T CA 1.413 63.547 62.100 0.057 0.000 1.150 478 T CB -0.623 68.016 68.868 -0.383 0.000 0.864 478 T HN 0.394 nan 8.240 nan 0.000 0.427 479 F N 1.923 121.848 119.950 -0.043 0.000 2.085 479 F HA -0.191 4.324 4.527 -0.020 0.000 0.299 479 F C 1.906 177.767 175.800 0.101 0.000 1.096 479 F CA 1.402 59.400 58.000 -0.004 0.000 1.227 479 F CB -0.585 38.346 39.000 -0.115 0.000 0.983 479 F HN 0.076 nan 8.300 nan 0.000 0.482 480 L N -0.477 120.773 121.223 0.046 0.000 2.217 480 L HA -0.157 4.170 4.340 -0.021 0.000 0.211 480 L C 2.420 179.270 176.870 -0.034 0.000 1.107 480 L CA 0.902 55.775 54.840 0.055 0.000 0.783 480 L CB -0.528 41.672 42.059 0.234 0.000 0.919 480 L HN 0.210 nan 8.230 nan 0.000 0.442 481 I N -0.556 119.978 120.570 -0.060 0.000 2.315 481 I HA -0.259 3.899 4.170 -0.021 0.000 0.248 481 I C 2.796 178.737 176.117 -0.294 0.000 1.117 481 I CA 1.008 62.121 61.300 -0.311 0.000 1.404 481 I CB -0.270 37.304 38.000 -0.711 0.000 1.071 481 I HN 0.182 nan 8.210 nan 0.000 0.419 482 R N 0.647 121.084 120.500 -0.105 0.000 2.105 482 R HA -0.154 4.173 4.340 -0.021 0.000 0.239 482 R C 2.238 178.514 176.300 -0.039 0.000 1.135 482 R CA 1.411 57.506 56.100 -0.008 0.000 0.967 482 R CB -0.104 30.223 30.300 0.045 0.000 0.861 482 R HN 0.191 nan 8.270 nan 0.000 0.442 483 V N -0.063 119.721 119.914 -0.217 0.000 2.427 483 V HA -0.190 3.918 4.120 -0.021 0.000 0.248 483 V C 2.208 178.285 176.094 -0.028 0.000 1.051 483 V CA 1.389 63.634 62.300 -0.092 0.000 1.048 483 V CB -0.032 31.676 31.823 -0.191 0.000 0.666 483 V HN 0.178 nan 8.190 nan 0.000 0.456 484 V N -0.773 118.990 119.914 -0.252 0.000 2.407 484 V HA -0.064 4.044 4.120 -0.021 0.000 0.245 484 V C 1.115 177.014 176.094 -0.324 0.000 1.041 484 V CA 0.823 62.889 62.300 -0.391 0.000 1.040 484 V CB -0.449 30.995 31.823 -0.631 0.000 0.671 484 V HN 0.559 nan 8.190 nan 0.000 0.455 485 D N 0.774 120.989 120.400 -0.310 0.000 2.662 485 D HA -0.057 4.570 4.640 -0.021 0.000 0.233 485 D C -1.584 174.414 176.300 -0.505 0.000 1.129 485 D CA -1.065 52.747 54.000 -0.313 0.000 0.851 485 D CB 1.463 42.151 40.800 -0.185 0.000 1.152 485 D HN 0.131 nan 8.370 nan 0.000 0.507 486 P HA -0.123 nan 4.420 nan 0.000 0.218 486 P C 0.857 177.904 177.300 -0.421 0.000 1.148 486 P CA 0.933 63.810 63.100 -0.372 0.000 0.822 486 P CB 0.289 31.876 31.700 -0.189 0.000 0.784 487 E N -2.065 117.968 120.200 -0.279 0.000 2.285 487 E HA -0.111 4.227 4.350 -0.021 0.000 0.194 487 E C 0.151 176.719 176.600 -0.055 0.000 0.997 487 E CA 0.504 56.829 56.400 -0.126 0.000 0.845 487 E CB -0.777 28.897 29.700 -0.044 0.000 0.782 487 E HN 0.417 nan 8.360 nan 0.000 0.491 488 H N -0.266 118.816 119.070 0.021 0.000 2.756 488 H HA -0.157 4.387 4.556 -0.020 0.000 0.315 488 H C 0.788 176.162 175.328 0.077 0.000 1.210 488 H CA 1.252 57.321 56.048 0.035 0.000 1.150 488 H CB -1.498 28.286 29.762 0.035 0.000 1.463 488 H HN 0.274 nan 8.280 nan 0.000 0.427 489 E N -0.721 119.580 120.200 0.167 0.000 2.474 489 E HA 0.166 4.503 4.350 -0.021 0.000 0.215 489 E C 0.346 177.096 176.600 0.250 0.000 0.867 489 E CA -0.344 56.166 56.400 0.184 0.000 1.135 489 E CB 0.482 30.254 29.700 0.120 0.000 1.147 489 E HN 0.252 nan 8.360 nan 0.000 0.534 490 F N 2.610 122.584 119.950 0.041 0.000 2.595 490 F HA 0.135 4.650 4.527 -0.019 0.000 0.359 490 F C -1.586 174.189 175.800 -0.042 0.000 1.147 490 F CA -1.339 56.648 58.000 -0.022 0.000 1.341 490 F CB 0.994 39.944 39.000 -0.083 0.000 1.104 490 F HN -0.023 nan 8.300 nan 0.000 0.603 491 P HA -0.001 nan 4.420 nan 0.000 0.257 491 P C 0.946 177.716 177.300 -0.884 0.000 1.281 491 P CA 0.675 62.804 63.100 -1.618 0.000 0.826 491 P CB -0.236 30.608 31.700 -1.427 0.000 1.237 492 F N 0.887 120.670 119.950 -0.278 0.000 2.325 492 F HA 0.067 4.581 4.527 -0.021 0.000 0.299 492 F C 1.366 177.109 175.800 -0.095 0.000 1.090 492 F CA 1.081 59.002 58.000 -0.132 0.000 1.392 492 F CB -0.127 38.841 39.000 -0.054 0.000 1.053 492 F HN -0.184 nan 8.300 nan 0.000 0.521 493 K N -0.038 120.397 120.400 0.060 0.000 2.469 493 K HA 0.277 4.585 4.320 -0.021 0.000 0.254 493 K C -0.782 175.867 176.600 0.081 0.000 0.939 493 K CA -1.221 55.098 56.287 0.054 0.000 0.812 493 K CB 2.143 34.690 32.500 0.078 0.000 1.301 493 K HN -0.276 nan 8.250 nan 0.000 0.433 494 Q N 2.124 121.971 119.800 0.078 0.000 2.369 494 Q HA 0.074 4.402 4.340 -0.021 0.000 0.295 494 Q C -0.693 175.408 176.000 0.169 0.000 1.075 494 Q CA 0.504 56.399 55.803 0.155 0.000 0.941 494 Q CB 0.427 29.205 28.738 0.067 0.000 1.260 494 Q HN 0.616 nan 8.270 nan 0.000 0.417 495 I N 3.266 123.938 120.570 0.169 0.000 2.385 495 I HA 0.252 4.409 4.170 -0.021 0.000 0.294 495 I C -0.622 175.450 176.117 -0.075 0.000 0.988 495 I CA -0.770 60.517 61.300 -0.022 0.000 1.265 495 I CB 0.682 38.545 38.000 -0.228 0.000 1.388 495 I HN 0.418 nan 8.210 nan 0.000 0.480 496 K N 8.609 128.953 120.400 -0.094 0.000 2.276 496 K HA 0.474 4.782 4.320 -0.021 0.000 0.285 496 K C -0.908 175.606 176.600 -0.143 0.000 1.062 496 K CA -0.233 55.990 56.287 -0.107 0.000 0.918 496 K CB 0.993 33.438 32.500 -0.091 0.000 1.055 496 K HN 0.568 nan 8.250 nan 0.000 0.477 497 L N 4.375 125.504 121.223 -0.156 0.000 2.333 497 L HA 0.538 4.865 4.340 -0.021 0.000 0.269 497 L C -1.799 174.954 176.870 -0.195 0.000 1.010 497 L CA -2.074 52.657 54.840 -0.181 0.000 0.818 497 L CB 1.637 43.579 42.059 -0.195 0.000 1.306 497 L HN 0.442 nan 8.230 nan 0.000 0.430 498 P HA 0.268 nan 4.420 nan 0.000 0.276 498 P C 0.421 177.629 177.300 -0.154 0.000 1.252 498 P CA -0.588 62.398 63.100 -0.190 0.000 0.802 498 P CB 1.436 33.013 31.700 -0.206 0.000 1.035 499 L N 0.084 121.220 121.223 -0.144 0.000 2.109 499 L HA 0.080 4.407 4.340 -0.021 0.000 0.207 499 L C 1.341 178.160 176.870 -0.086 0.000 1.086 499 L CA 0.942 55.707 54.840 -0.126 0.000 0.760 499 L CB -0.507 41.467 42.059 -0.142 0.000 0.910 499 L HN 0.404 nan 8.230 nan 0.000 0.437 500 I N -3.863 116.665 120.570 -0.070 0.000 2.608 500 I HA 0.520 4.678 4.170 -0.021 0.000 0.295 500 I C -2.591 173.496 176.117 -0.050 0.000 1.049 500 I CA -2.686 58.591 61.300 -0.038 0.000 1.063 500 I CB 1.344 39.342 38.000 -0.003 0.000 1.248 500 I HN -0.290 nan 8.210 nan 0.000 0.424 501 P HA -0.015 nan 4.420 nan 0.000 0.264 501 P C -0.908 176.358 177.300 -0.057 0.000 1.179 501 P CA 0.276 63.339 63.100 -0.062 0.000 0.763 501 P CB 0.315 31.992 31.700 -0.038 0.000 0.806 502 D N 2.660 123.008 120.400 -0.088 0.000 2.425 502 D HA -0.011 4.616 4.640 -0.021 0.000 0.247 502 D C 0.469 176.760 176.300 -0.014 0.000 1.147 502 D CA 0.360 54.332 54.000 -0.047 0.000 0.879 502 D CB 0.439 41.190 40.800 -0.081 0.000 1.179 502 D HN 0.271 nan 8.370 nan 0.000 0.456 503 Q N 2.286 122.084 119.800 -0.004 0.000 2.324 503 Q HA 0.211 4.538 4.340 -0.021 0.000 0.257 503 Q C 0.547 176.541 176.000 -0.010 0.000 1.080 503 Q CA -0.137 55.631 55.803 -0.059 0.000 0.907 503 Q CB 0.738 29.387 28.738 -0.149 0.000 1.274 503 Q HN 0.416 nan 8.270 nan 0.000 0.434 510 D N 2.449 122.849 120.400 0.000 0.000 3.729 510 D HA -0.162 4.465 4.640 -0.021 0.000 0.242 510 D C 0.809 177.125 176.300 0.027 0.000 1.091 510 D CA 1.385 55.394 54.000 0.014 0.000 1.096 510 D CB -0.492 40.319 40.800 0.018 0.000 0.901 510 D HN 0.872 nan 8.370 nan 0.000 0.416 511 N N -0.055 118.665 118.700 0.035 0.000 2.454 511 N HA 0.109 4.837 4.740 -0.021 0.000 0.177 511 N C 1.955 177.541 175.510 0.126 0.000 1.049 511 N CA 0.363 53.454 53.050 0.068 0.000 0.887 511 N CB 0.147 38.657 38.487 0.038 0.000 1.095 511 N HN 0.361 nan 8.380 nan 0.000 0.446 512 A N 2.171 125.038 122.820 0.079 0.000 1.920 512 A HA -0.339 3.968 4.320 -0.021 0.000 0.229 512 A C 1.676 179.309 177.584 0.082 0.000 1.516 512 A CA 2.469 54.545 52.037 0.065 0.000 0.714 512 A CB -1.017 18.002 19.000 0.032 0.000 0.845 512 A HN 0.244 nan 8.150 nan 0.000 0.493 513 D N -1.794 118.660 120.400 0.090 0.000 2.092 513 D HA -0.123 4.504 4.640 -0.021 0.000 0.193 513 D C 1.650 178.033 176.300 0.137 0.000 0.994 513 D CA 1.512 55.566 54.000 0.090 0.000 0.828 513 D CB -0.464 40.385 40.800 0.081 0.000 0.963 513 D HN 0.527 nan 8.370 nan 0.000 0.450 514 F N 0.927 120.909 119.950 0.054 0.000 2.095 514 F HA -0.182 4.360 4.527 0.025 0.000 0.298 514 F C 2.081 177.966 175.800 0.143 0.000 1.104 514 F CA 1.343 59.404 58.000 0.101 0.000 1.232 514 F CB -0.198 38.822 39.000 0.034 0.000 0.987 514 F HN -0.070 nan 8.300 nan 0.000 0.475 515 L N -0.107 121.293 121.223 0.296 0.000 2.056 515 L HA -0.196 4.131 4.340 -0.021 0.000 0.207 515 L C 2.714 179.605 176.870 0.035 0.000 1.078 515 L CA 1.570 56.517 54.840 0.179 0.000 0.749 515 L CB -0.675 41.485 42.059 0.167 0.000 0.901 515 L HN 0.123 nan 8.230 nan 0.000 0.433 516 R N 0.247 120.756 120.500 0.015 0.000 2.083 516 R HA -0.201 4.127 4.340 -0.021 0.000 0.237 516 R C 2.316 178.558 176.300 -0.097 0.000 1.137 516 R CA 1.612 57.682 56.100 -0.049 0.000 0.951 516 R CB -0.278 29.998 30.300 -0.039 0.000 0.851 516 R HN 0.350 nan 8.270 nan 0.000 0.434 517 A N -0.280 122.481 122.820 -0.099 0.000 1.972 517 A HA -0.164 4.143 4.320 -0.021 0.000 0.219 517 A C 1.122 178.484 177.584 -0.370 0.000 1.169 517 A CA 1.636 53.547 52.037 -0.209 0.000 0.635 517 A CB -0.460 18.412 19.000 -0.214 0.000 0.810 517 A HN 0.530 nan 8.150 nan 0.000 0.446 518 H N -1.005 117.873 119.070 -0.320 0.000 2.542 518 H HA 0.575 5.123 4.556 -0.013 0.000 0.283 518 H C 0.763 175.982 175.328 -0.183 0.000 1.059 518 H CA -0.055 55.822 56.048 -0.284 0.000 1.162 518 H CB -0.018 29.499 29.762 -0.407 0.000 1.539 518 H HN 0.506 nan 8.280 nan 0.000 0.543 519 A N 2.343 125.111 122.820 -0.087 0.000 2.445 519 A HA 0.276 4.584 4.320 -0.021 0.000 0.242 519 A C -1.965 175.545 177.584 -0.124 0.000 1.075 519 A CA -1.108 50.872 52.037 -0.095 0.000 0.777 519 A CB 0.086 19.013 19.000 -0.121 0.000 1.013 519 A HN 0.111 nan 8.150 nan 0.000 0.493 520 P HA 0.346 nan 4.420 nan 0.000 0.278 520 P C -0.817 176.425 177.300 -0.096 0.000 1.238 520 P CA -0.180 62.867 63.100 -0.090 0.000 0.794 520 P CB 1.104 32.737 31.700 -0.111 0.000 0.955 521 V N 5.200 125.079 119.914 -0.058 0.000 2.483 521 V HA 0.245 4.353 4.120 -0.021 0.000 0.295 521 V C -0.899 175.268 176.094 0.121 0.000 1.035 521 V CA -1.200 61.081 62.300 -0.031 0.000 0.896 521 V CB 1.452 33.294 31.823 0.033 0.000 0.986 521 V HN 0.598 nan 8.190 nan 0.000 0.447 522 P HA 0.011 nan 4.420 nan 0.000 0.255 522 P C 1.491 178.831 177.300 0.067 0.000 1.248 522 P CA 0.167 63.399 63.100 0.221 0.000 0.807 522 P CB 0.211 32.202 31.700 0.485 0.000 1.150 523 F N 3.770 123.563 119.950 -0.263 0.000 2.087 523 F HA -0.298 4.216 4.527 -0.022 0.000 0.299 523 F C 2.042 177.650 175.800 -0.321 0.000 1.100 523 F CA 2.468 60.188 58.000 -0.468 0.000 1.226 523 F CB -0.207 38.580 39.000 -0.354 0.000 0.983 523 F HN -0.096 nan 8.300 nan 0.000 0.479 524 K N -1.160 119.047 120.400 -0.321 0.000 2.281 524 K HA -0.217 4.090 4.320 -0.021 0.000 0.203 524 K C 1.179 177.439 176.600 -0.566 0.000 1.046 524 K CA 1.994 57.985 56.287 -0.493 0.000 0.938 524 K CB -0.911 31.230 32.500 -0.598 0.000 0.737 524 K HN 0.388 nan 8.250 nan 0.000 0.458 525 Y N -0.447 119.737 120.300 -0.193 0.000 2.500 525 Y HA 0.171 4.709 4.550 -0.019 0.000 0.270 525 Y C 0.180 175.980 175.900 -0.166 0.000 1.134 525 Y CA -1.056 56.937 58.100 -0.179 0.000 1.293 525 Y CB -0.400 37.937 38.460 -0.205 0.000 1.063 525 Y HN -0.129 nan 8.280 nan 0.000 0.534 526 Y N 2.200 122.311 120.300 -0.316 0.000 2.702 526 Y HA 0.084 4.622 4.550 -0.020 0.000 0.336 526 Y C -1.913 173.652 175.900 -0.558 0.000 1.235 526 Y CA -3.322 54.480 58.100 -0.498 0.000 1.492 526 Y CB -0.406 37.846 38.460 -0.346 0.000 1.308 526 Y HN -0.046 nan 8.280 nan 0.000 0.589 527 P HA 0.029 nan 4.420 nan 0.000 0.268 527 P C 0.560 177.577 177.300 -0.472 0.000 1.205 527 P CA 0.069 62.816 63.100 -0.588 0.000 0.771 527 P CB 0.621 31.682 31.700 -1.066 0.000 0.858 528 E N 1.683 121.717 120.200 -0.277 0.000 2.130 528 E HA -0.230 4.108 4.350 -0.021 0.000 0.196 528 E C 1.517 178.008 176.600 -0.181 0.000 0.998 528 E CA 1.235 57.531 56.400 -0.174 0.000 0.806 528 E CB -0.468 29.181 29.700 -0.084 0.000 0.738 528 E HN 0.614 nan 8.360 nan 0.000 0.459 529 F N -0.115 119.708 119.950 -0.211 0.000 2.250 529 F HA -0.194 4.322 4.527 -0.020 0.000 0.301 529 F C 2.144 177.865 175.800 -0.133 0.000 1.077 529 F CA 0.813 58.578 58.000 -0.391 0.000 1.348 529 F CB -0.905 37.733 39.000 -0.604 0.000 1.040 529 F HN -0.074 nan 8.300 nan 0.000 0.509 530 V N -0.874 118.925 119.914 -0.191 0.000 2.720 530 V HA -0.160 3.948 4.120 -0.021 0.000 0.256 530 V C 1.767 177.943 176.094 0.138 0.000 1.082 530 V CA 1.809 64.156 62.300 0.079 0.000 1.101 530 V CB -0.868 31.047 31.823 0.153 0.000 0.693 530 V HN 0.353 nan 8.190 nan 0.000 0.479 531 V N -0.396 119.590 119.914 0.120 0.000 3.085 531 V HA 0.059 4.166 4.120 -0.021 0.000 0.245 531 V C 2.515 178.733 176.094 0.207 0.000 1.114 531 V CA 1.269 63.702 62.300 0.221 0.000 1.108 531 V CB 0.162 32.163 31.823 0.296 0.000 0.798 531 V HN 0.565 nan 8.190 nan 0.000 0.471 532 E N 0.928 121.196 120.200 0.112 0.000 2.106 532 E HA -0.147 4.191 4.350 -0.021 0.000 0.192 532 E C 2.197 178.920 176.600 0.205 0.000 0.984 532 E CA 1.300 57.771 56.400 0.118 0.000 0.806 532 E CB -0.206 29.500 29.700 0.010 0.000 0.750 532 E HN 0.577 nan 8.360 nan 0.000 0.458 533 G N 1.481 110.403 108.800 0.204 0.000 2.453 533 G HA2 -0.204 3.744 3.960 -0.021 0.000 0.215 533 G HA3 -0.204 3.744 3.960 -0.021 0.000 0.215 533 G C -0.829 174.234 174.900 0.272 0.000 1.201 533 G CA 0.767 46.034 45.100 0.277 0.000 0.784 533 G HN 0.297 nan 8.290 nan 0.000 0.545 534 P HA -0.093 nan 4.420 nan 0.000 0.215 534 P C 2.169 179.649 177.300 0.301 0.000 1.157 534 P CA 0.971 64.195 63.100 0.206 0.000 0.874 534 P CB -0.143 31.674 31.700 0.195 0.000 0.790 535 V N -0.547 119.601 119.914 0.390 0.000 2.453 535 V HA -0.167 3.941 4.120 -0.021 0.000 0.247 535 V C 1.898 178.180 176.094 0.312 0.000 1.048 535 V CA 1.905 64.463 62.300 0.431 0.000 1.049 535 V CB -1.007 31.051 31.823 0.392 0.000 0.672 535 V HN 0.041 nan 8.190 nan 0.000 0.457 536 N N -0.419 118.446 118.700 0.275 0.000 2.142 536 N HA -0.187 4.541 4.740 -0.021 0.000 0.186 536 N C 1.704 177.359 175.510 0.242 0.000 1.023 536 N CA 2.036 55.225 53.050 0.233 0.000 0.852 536 N CB -0.649 37.966 38.487 0.214 0.000 0.998 536 N HN 0.706 nan 8.380 nan 0.000 0.424 537 Y N 1.749 122.151 120.300 0.169 0.000 2.128 537 Y HA -0.191 4.347 4.550 -0.021 0.000 0.284 537 Y C 2.393 178.403 175.900 0.183 0.000 1.154 537 Y CA 1.745 59.943 58.100 0.162 0.000 1.149 537 Y CB -0.334 38.218 38.460 0.154 0.000 0.976 537 Y HN -0.019 nan 8.280 nan 0.000 0.505 538 S N 0.438 116.274 115.700 0.226 0.000 2.368 538 S HA -0.154 4.304 4.470 -0.021 0.000 0.224 538 S C 2.044 176.697 174.600 0.088 0.000 1.029 538 S CA 1.386 59.675 58.200 0.148 0.000 0.988 538 S CB -0.558 62.813 63.200 0.284 0.000 0.838 538 S HN 0.453 nan 8.310 nan 0.000 0.462 539 L N -0.132 121.191 121.223 0.166 0.000 2.017 539 L HA -0.150 4.177 4.340 -0.021 0.000 0.208 539 L C 2.379 179.283 176.870 0.056 0.000 1.073 539 L CA 1.670 56.597 54.840 0.145 0.000 0.745 539 L CB -0.464 41.710 42.059 0.192 0.000 0.894 539 L HN 0.384 nan 8.230 nan 0.000 0.432 540 Y N 0.052 120.299 120.300 -0.088 0.000 2.163 540 Y HA -0.261 4.277 4.550 -0.021 0.000 0.288 540 Y C 2.288 178.075 175.900 -0.188 0.000 1.136 540 Y CA 1.584 59.593 58.100 -0.152 0.000 1.147 540 Y CB -0.093 38.236 38.460 -0.217 0.000 0.987 540 Y HN 0.030 nan 8.280 nan 0.000 0.509 541 I N -0.042 120.318 120.570 -0.349 0.000 2.830 541 I HA -0.195 3.962 4.170 -0.021 0.000 0.263 541 I C 2.204 178.198 176.117 -0.205 0.000 1.230 541 I CA 1.106 62.181 61.300 -0.376 0.000 1.480 541 I CB -0.456 37.167 38.000 -0.627 0.000 1.095 541 I HN 0.157 nan 8.210 nan 0.000 0.455 542 S N 0.735 116.321 115.700 -0.190 0.000 2.440 542 S HA -0.226 4.232 4.470 -0.021 0.000 0.238 542 S C 1.902 176.404 174.600 -0.163 0.000 1.010 542 S CA 1.427 59.550 58.200 -0.129 0.000 0.972 542 S CB -0.377 62.814 63.200 -0.014 0.000 0.774 542 S HN 0.615 nan 8.310 nan 0.000 0.501 543 K N 0.050 120.291 120.400 -0.264 0.000 2.459 543 K HA -0.012 4.295 4.320 -0.021 0.000 0.193 543 K C -0.643 175.695 176.600 -0.437 0.000 1.030 543 K CA 0.330 56.396 56.287 -0.369 0.000 1.026 543 K CB -0.076 32.112 32.500 -0.520 0.000 0.809 543 K HN 0.284 nan 8.250 nan 0.000 0.504 544 Y N 2.140 122.278 120.300 -0.270 0.000 2.350 544 Y HA 0.058 4.595 4.550 -0.021 0.000 0.340 544 Y C 1.452 177.243 175.900 -0.181 0.000 1.006 544 Y CA -0.652 57.329 58.100 -0.199 0.000 1.166 544 Y CB 1.733 40.089 38.460 -0.174 0.000 1.168 544 Y HN 0.063 nan 8.280 nan 0.000 0.502 545 Q N 1.761 121.538 119.800 -0.038 0.000 2.182 545 Q HA -0.250 4.078 4.340 -0.021 0.000 0.213 545 Q C 1.591 177.566 176.000 -0.042 0.000 1.000 545 Q CA 2.728 58.485 55.803 -0.077 0.000 0.889 545 Q CB -0.251 28.462 28.738 -0.041 0.000 0.932 545 Q HN 0.815 nan 8.270 nan 0.000 0.415 546 T N -2.546 112.032 114.554 0.040 0.000 3.206 546 T HA 0.271 4.609 4.350 -0.021 0.000 0.253 546 T C 0.431 175.138 174.700 0.011 0.000 1.042 546 T CA 0.220 62.343 62.100 0.038 0.000 0.931 546 T CB -0.029 68.868 68.868 0.049 0.000 1.029 546 T HN 0.248 nan 8.240 nan 0.000 0.564 547 S N 3.556 119.246 115.700 -0.016 0.000 2.642 547 S HA 0.051 4.508 4.470 -0.021 0.000 0.308 547 S C -0.716 173.827 174.600 -0.096 0.000 1.255 547 S CA -0.890 57.260 58.200 -0.084 0.000 1.057 547 S CB 0.697 63.802 63.200 -0.158 0.000 0.785 547 S HN 0.306 nan 8.310 nan 0.000 0.500 548 P HA -0.001 nan 4.420 nan 0.000 0.233 548 P C 1.299 178.468 177.300 -0.218 0.000 1.167 548 P CA 0.767 63.818 63.100 -0.083 0.000 0.770 548 P CB 0.005 31.720 31.700 0.024 0.000 0.837 549 I N -1.404 118.890 120.570 -0.461 0.000 2.333 549 I HA -0.085 4.072 4.170 -0.021 0.000 0.246 549 I C 1.352 177.295 176.117 -0.290 0.000 1.106 549 I CA 0.269 61.210 61.300 -0.599 0.000 1.411 549 I CB -0.623 37.000 38.000 -0.628 0.000 1.082 549 I HN -0.140 nan 8.210 nan 0.000 0.420 550 F N 4.740 124.394 119.950 -0.493 0.000 2.571 550 F HA 0.011 4.525 4.527 -0.021 0.000 0.390 550 F C 1.457 177.149 175.800 -0.180 0.000 1.043 550 F CA -0.593 57.125 58.000 -0.470 0.000 1.164 550 F CB -0.178 38.543 39.000 -0.465 0.000 1.049 550 F HN 0.227 nan 8.300 nan 0.000 0.552 551 R N 3.197 123.339 120.500 -0.595 0.000 3.336 551 R HA -0.296 4.032 4.340 -0.021 0.000 0.260 551 R C -1.560 174.623 176.300 -0.194 0.000 1.032 551 R CA 0.830 56.640 56.100 -0.483 0.000 0.693 551 R CB -2.601 27.235 30.300 -0.773 0.000 1.134 551 R HN 0.652 nan 8.270 nan 0.000 0.433 552 N N 1.537 120.203 118.700 -0.057 0.000 2.444 552 N HA 0.265 4.993 4.740 -0.021 0.000 0.262 552 N C -1.442 174.113 175.510 0.075 0.000 0.974 552 N CA -2.345 50.730 53.050 0.041 0.000 0.933 552 N CB 1.504 40.083 38.487 0.153 0.000 1.137 552 N HN 0.031 nan 8.380 nan 0.000 0.498 553 P HA -0.063 nan 4.420 nan 0.000 0.225 553 P C 0.451 177.800 177.300 0.082 0.000 1.148 553 P CA 0.968 64.095 63.100 0.045 0.000 0.779 553 P CB 0.403 32.111 31.700 0.014 0.000 0.780 554 R N -0.847 119.719 120.500 0.109 0.000 2.310 554 R HA 0.185 4.513 4.340 -0.021 0.000 0.202 554 R C 2.299 178.716 176.300 0.195 0.000 0.933 554 R CA -0.182 55.992 56.100 0.122 0.000 1.054 554 R CB -0.619 29.723 30.300 0.070 0.000 0.985 554 R HN 0.211 nan 8.270 nan 0.000 0.489 555 L N 0.858 122.250 121.223 0.281 0.000 2.051 555 L HA -0.212 4.116 4.340 -0.021 0.000 0.214 555 L C 2.151 179.227 176.870 0.342 0.000 1.076 555 L CA 1.890 56.980 54.840 0.417 0.000 0.758 555 L CB -0.869 41.415 42.059 0.375 0.000 0.890 555 L HN 0.354 nan 8.230 nan 0.000 0.433 556 G N -0.909 108.033 108.800 0.236 0.000 2.656 556 G HA2 -0.391 3.557 3.960 -0.021 0.000 0.223 556 G HA3 -0.391 3.557 3.960 -0.021 0.000 0.223 556 G C 1.556 176.594 174.900 0.229 0.000 1.130 556 G CA 1.280 46.503 45.100 0.205 0.000 0.758 556 G HN 0.518 nan 8.290 nan 0.000 0.608 557 S N 0.110 115.952 115.700 0.237 0.000 2.368 557 S HA -0.065 4.393 4.470 -0.021 0.000 0.225 557 S C 1.916 176.692 174.600 0.293 0.000 1.030 557 S CA 1.147 59.494 58.200 0.245 0.000 0.999 557 S CB -0.351 62.980 63.200 0.220 0.000 0.844 557 S HN 0.390 nan 8.310 nan 0.000 0.459 558 F N 2.570 122.613 119.950 0.154 0.000 2.146 558 F HA -0.068 4.447 4.527 -0.019 0.000 0.298 558 F C 2.169 178.135 175.800 0.275 0.000 1.096 558 F CA 0.724 58.847 58.000 0.204 0.000 1.275 558 F CB -0.652 38.468 39.000 0.200 0.000 1.008 558 F HN -0.044 nan 8.300 nan 0.000 0.480 559 V N 0.143 120.169 119.914 0.188 0.000 2.407 559 V HA -0.288 3.819 4.120 -0.021 0.000 0.248 559 V C 2.267 178.394 176.094 0.054 0.000 1.055 559 V CA 2.115 64.475 62.300 0.100 0.000 1.049 559 V CB -0.742 31.215 31.823 0.223 0.000 0.662 559 V HN 0.312 nan 8.190 nan 0.000 0.455 560 E N -0.418 119.846 120.200 0.107 0.000 2.023 560 E HA -0.269 4.068 4.350 -0.021 0.000 0.196 560 E C 2.009 178.591 176.600 -0.030 0.000 1.003 560 E CA 1.913 58.350 56.400 0.062 0.000 0.809 560 E CB -0.288 29.492 29.700 0.133 0.000 0.755 560 E HN 0.604 nan 8.360 nan 0.000 0.449 561 F N 1.409 121.285 119.950 -0.122 0.000 2.126 561 F HA -0.240 4.276 4.527 -0.018 0.000 0.299 561 F C 2.279 177.952 175.800 -0.212 0.000 1.096 561 F CA 1.800 59.700 58.000 -0.165 0.000 1.255 561 F CB -0.498 38.459 39.000 -0.072 0.000 0.997 561 F HN -0.065 nan 8.300 nan 0.000 0.479 562 T N -0.502 113.872 114.554 -0.299 0.000 2.708 562 T HA -0.182 4.155 4.350 -0.021 0.000 0.266 562 T C 1.845 176.342 174.700 -0.338 0.000 1.037 562 T CA 2.116 63.990 62.100 -0.378 0.000 1.146 562 T CB -0.679 67.985 68.868 -0.340 0.000 0.865 562 T HN 0.327 nan 8.240 nan 0.000 0.435 563 T N 2.239 116.652 114.554 -0.236 0.000 2.821 563 T HA 0.019 4.357 4.350 -0.021 0.000 0.267 563 T C 1.942 176.494 174.700 -0.247 0.000 1.046 563 T CA 1.030 63.013 62.100 -0.195 0.000 1.139 563 T CB -0.351 68.454 68.868 -0.105 0.000 0.871 563 T HN 0.311 nan 8.240 nan 0.000 0.454 564 M N 1.086 120.497 119.600 -0.314 0.000 2.082 564 M HA -0.155 4.313 4.480 -0.021 0.000 0.258 564 M C 2.139 178.202 176.300 -0.396 0.000 1.069 564 M CA 1.777 56.858 55.300 -0.365 0.000 1.102 564 M CB -0.394 31.938 32.600 -0.446 0.000 1.336 564 M HN 0.086 nan 8.290 nan 0.000 0.404 565 V N 0.901 120.501 119.914 -0.524 0.000 2.358 565 V HA -0.268 3.840 4.120 -0.021 0.000 0.246 565 V C 2.313 178.216 176.094 -0.319 0.000 1.047 565 V CA 1.643 63.667 62.300 -0.460 0.000 1.035 565 V CB -0.599 30.872 31.823 -0.586 0.000 0.658 565 V HN 0.546 nan 8.190 nan 0.000 0.452 566 L N -0.459 120.572 121.223 -0.322 0.000 2.217 566 L HA -0.073 4.255 4.340 -0.021 0.000 0.211 566 L C 2.594 179.375 176.870 -0.148 0.000 1.107 566 L CA 0.986 55.648 54.840 -0.296 0.000 0.783 566 L CB -0.439 41.429 42.059 -0.319 0.000 0.919 566 L HN 0.242 nan 8.230 nan 0.000 0.442 567 R N 0.016 120.435 120.500 -0.136 0.000 2.153 567 R HA 0.020 4.348 4.340 -0.021 0.000 0.218 567 R C 0.130 176.399 176.300 -0.052 0.000 1.072 567 R CA 0.650 56.715 56.100 -0.058 0.000 0.990 567 R CB -0.204 30.032 30.300 -0.107 0.000 0.889 567 R HN 0.241 nan 8.270 nan 0.000 0.452 568 C N 2.359 121.595 119.300 -0.106 0.000 2.409 568 C HA 0.409 4.857 4.460 -0.021 0.000 0.297 568 C C -1.596 173.360 174.990 -0.057 0.000 1.083 568 C CA -1.493 57.470 59.018 -0.091 0.000 1.515 568 C CB 1.703 29.347 27.740 -0.159 0.000 1.869 568 C HN 0.350 nan 8.230 nan 0.000 0.413 569 P HA -0.177 nan 4.420 nan 0.000 0.221 569 P C 1.087 178.401 177.300 0.023 0.000 1.145 569 P CA 1.518 64.640 63.100 0.037 0.000 0.795 569 P CB 0.251 32.005 31.700 0.088 0.000 0.775 570 E N 0.276 120.484 120.200 0.013 0.000 2.160 570 E HA -0.145 4.193 4.350 -0.021 0.000 0.195 570 E C 2.128 178.728 176.600 0.000 0.000 0.991 570 E CA 0.854 57.260 56.400 0.009 0.000 0.810 570 E CB -1.025 28.673 29.700 -0.003 0.000 0.742 570 E HN 0.277 nan 8.360 nan 0.000 0.466 571 L N 0.528 121.743 121.223 -0.013 0.000 2.072 571 L HA 0.020 4.348 4.340 -0.021 0.000 0.205 571 L C 0.590 177.564 176.870 0.174 0.000 1.079 571 L CA 0.487 55.370 54.840 0.071 0.000 0.752 571 L CB 0.184 42.199 42.059 -0.075 0.000 0.906 571 L HN -0.009 nan 8.230 nan 0.000 0.436 572 V N -0.294 119.660 119.914 0.067 0.000 2.447 572 V HA 0.105 4.213 4.120 -0.021 0.000 0.292 572 V C 0.775 176.874 176.094 0.008 0.000 1.021 572 V CA -0.043 62.283 62.300 0.043 0.000 0.850 572 V CB 1.662 33.510 31.823 0.041 0.000 1.005 572 V HN 0.246 nan 8.190 nan 0.000 0.426 573 S N 2.951 118.644 115.700 -0.012 0.000 2.436 573 S HA -0.017 4.440 4.470 -0.021 0.000 0.228 573 S C 0.999 175.587 174.600 -0.021 0.000 1.014 573 S CA 0.461 58.653 58.200 -0.014 0.000 0.950 573 S CB -0.190 62.991 63.200 -0.032 0.000 0.784 573 S HN 0.688 nan 8.310 nan 0.000 0.504 574 N N 3.989 122.671 118.700 -0.030 0.000 2.427 574 N HA 0.156 4.883 4.740 -0.021 0.000 0.269 574 N C -1.695 173.791 175.510 -0.041 0.000 1.235 574 N CA -1.798 51.221 53.050 -0.052 0.000 0.934 574 N CB 1.267 39.737 38.487 -0.028 0.000 1.121 574 N HN 0.172 nan 8.380 nan 0.000 0.480 575 P HA -0.010 nan 4.420 nan 0.000 0.240 575 P C 0.517 177.866 177.300 0.082 0.000 1.190 575 P CA 0.753 63.861 63.100 0.014 0.000 0.781 575 P CB 0.273 31.957 31.700 -0.027 0.000 0.931 576 H N -0.324 118.822 119.070 0.126 0.000 2.389 576 H HA -0.006 4.538 4.556 -0.019 0.000 0.299 576 H C 1.918 177.251 175.328 0.009 0.000 1.081 576 H CA 0.532 56.654 56.048 0.122 0.000 1.345 576 H CB -0.987 28.860 29.762 0.141 0.000 1.393 576 H HN 0.043 nan 8.280 nan 0.000 0.520 577 L N 1.533 122.817 121.223 0.101 0.000 2.017 577 L HA -0.141 4.187 4.340 -0.021 0.000 0.208 577 L C 2.106 178.986 176.870 0.016 0.000 1.073 577 L CA 1.723 56.587 54.840 0.041 0.000 0.745 577 L CB -0.518 41.570 42.059 0.049 0.000 0.894 577 L HN 0.077 nan 8.230 nan 0.000 0.432 578 K N -1.188 119.228 120.400 0.027 0.000 2.211 578 K HA -0.087 4.221 4.320 -0.021 0.000 0.203 578 K C 1.970 178.574 176.600 0.006 0.000 1.050 578 K CA 0.976 57.215 56.287 -0.079 0.000 0.945 578 K CB -0.495 31.891 32.500 -0.189 0.000 0.732 578 K HN 0.504 nan 8.250 nan 0.000 0.451 579 G N 2.054 110.982 108.800 0.215 0.000 2.421 579 G HA2 -0.262 3.686 3.960 -0.021 0.000 0.216 579 G HA3 -0.262 3.686 3.960 -0.021 0.000 0.216 579 G C 1.327 176.321 174.900 0.156 0.000 1.171 579 G CA 0.684 45.983 45.100 0.332 0.000 0.775 579 G HN 0.231 nan 8.290 nan 0.000 0.543 580 K N -0.128 120.160 120.400 -0.186 0.000 2.097 580 K HA 0.074 4.382 4.320 -0.021 0.000 0.206 580 K C 2.499 179.121 176.600 0.037 0.000 1.049 580 K CA 0.679 56.819 56.287 -0.246 0.000 0.933 580 K CB -0.263 32.033 32.500 -0.340 0.000 0.717 580 K HN 0.261 nan 8.250 nan 0.000 0.442 581 L N 0.307 121.544 121.223 0.023 0.000 2.056 581 L HA -0.158 4.169 4.340 -0.021 0.000 0.207 581 L C 2.379 179.263 176.870 0.022 0.000 1.078 581 L CA 0.746 55.600 54.840 0.022 0.000 0.749 581 L CB -0.353 41.661 42.059 -0.075 0.000 0.901 581 L HN 0.013 nan 8.230 nan 0.000 0.433 582 V N -0.419 119.505 119.914 0.016 0.000 2.548 582 V HA -0.282 3.825 4.120 -0.021 0.000 0.249 582 V C 2.454 178.628 176.094 0.134 0.000 1.055 582 V CA 1.736 64.068 62.300 0.054 0.000 1.065 582 V CB 0.016 31.905 31.823 0.111 0.000 0.681 582 V HN 0.548 nan 8.190 nan 0.000 0.462 583 Q N -0.845 119.071 119.800 0.195 0.000 2.084 583 Q HA -0.235 4.093 4.340 -0.021 0.000 0.202 583 Q C 2.204 178.316 176.000 0.187 0.000 0.978 583 Q CA 2.114 58.053 55.803 0.227 0.000 0.844 583 Q CB -0.185 28.756 28.738 0.339 0.000 0.898 583 Q HN 0.566 nan 8.270 nan 0.000 0.426 584 L N 0.666 122.005 121.223 0.192 0.000 2.012 584 L HA -0.192 4.135 4.340 -0.021 0.000 0.210 584 L C 2.061 179.039 176.870 0.180 0.000 1.073 584 L CA 1.661 56.632 54.840 0.218 0.000 0.748 584 L CB -0.515 41.721 42.059 0.294 0.000 0.891 584 L HN 0.333 nan 8.230 nan 0.000 0.431 585 L N -0.882 120.429 121.223 0.147 0.000 2.131 585 L HA -0.209 4.119 4.340 -0.021 0.000 0.210 585 L C 2.667 179.617 176.870 0.132 0.000 1.092 585 L CA 1.505 56.445 54.840 0.167 0.000 0.759 585 L CB -0.916 41.197 42.059 0.088 0.000 0.903 585 L HN 0.549 nan 8.230 nan 0.000 0.435 586 S N -0.688 115.066 115.700 0.089 0.000 2.387 586 S HA -0.109 4.348 4.470 -0.021 0.000 0.226 586 S C 1.924 176.545 174.600 0.034 0.000 1.026 586 S CA 0.913 59.143 58.200 0.050 0.000 0.972 586 S CB -0.585 62.641 63.200 0.043 0.000 0.814 586 S HN 0.154 nan 8.310 nan 0.000 0.477 587 V N 2.335 122.286 119.914 0.062 0.000 2.392 587 V HA -0.068 4.039 4.120 -0.021 0.000 0.249 587 V C 2.859 178.880 176.094 -0.122 0.000 1.059 587 V CA 1.864 64.203 62.300 0.065 0.000 1.051 587 V CB -1.594 30.328 31.823 0.165 0.000 0.658 587 V HN 0.695 nan 8.190 nan 0.000 0.455 588 G N -0.989 107.617 108.800 -0.324 0.000 2.509 588 G HA2 -0.016 3.932 3.960 -0.021 0.000 0.218 588 G HA3 -0.016 3.932 3.960 -0.021 0.000 0.218 588 G C 1.480 176.090 174.900 -0.484 0.000 1.124 588 G CA 0.876 45.442 45.100 -0.890 0.000 0.776 588 G HN 0.621 nan 8.290 nan 0.000 0.547 589 A N -0.140 122.605 122.820 -0.124 0.000 2.115 589 A HA 0.510 4.817 4.320 -0.021 0.000 0.211 589 A C 1.274 178.849 177.584 -0.015 0.000 1.169 589 A CA -0.250 51.795 52.037 0.014 0.000 0.787 589 A CB -0.051 19.018 19.000 0.115 0.000 0.858 589 A HN 0.325 nan 8.150 nan 0.000 0.474 590 M N 2.037 121.622 119.600 -0.025 0.000 2.284 590 M HA 0.125 4.593 4.480 -0.021 0.000 0.351 590 M C -2.298 174.023 176.300 0.036 0.000 1.443 590 M CA -1.293 54.016 55.300 0.015 0.000 1.031 590 M CB 0.131 32.750 32.600 0.032 0.000 1.893 590 M HN 0.011 nan 8.290 nan 0.000 0.456 591 P HA 0.057 nan 4.420 nan 0.000 0.267 591 P C -0.789 176.547 177.300 0.061 0.000 1.200 591 P CA 0.097 63.235 63.100 0.064 0.000 0.772 591 P CB 0.329 32.070 31.700 0.069 0.000 0.855 592 L N 1.592 122.857 121.223 0.070 0.000 2.453 592 L HA 0.121 4.449 4.340 -0.021 0.000 0.261 592 L C 1.850 178.736 176.870 0.028 0.000 1.179 592 L CA -0.227 54.644 54.840 0.052 0.000 0.813 592 L CB -0.367 41.731 42.059 0.066 0.000 1.110 592 L HN 0.424 nan 8.230 nan 0.000 0.466 593 T N -0.917 113.640 114.554 0.004 0.000 2.792 593 T HA -0.218 4.119 4.350 -0.021 0.000 0.268 593 T C 1.046 175.748 174.700 0.004 0.000 1.059 593 T CA 1.774 63.872 62.100 -0.003 0.000 1.136 593 T CB -0.416 68.440 68.868 -0.020 0.000 0.846 593 T HN 0.833 nan 8.240 nan 0.000 0.489 594 D N 0.736 121.143 120.400 0.013 0.000 2.339 594 D HA 0.033 4.660 4.640 -0.021 0.000 0.217 594 D C 0.531 176.844 176.300 0.023 0.000 1.050 594 D CA 0.105 54.116 54.000 0.017 0.000 0.856 594 D CB -0.637 40.176 40.800 0.023 0.000 0.922 594 D HN 0.625 nan 8.370 nan 0.000 0.518 595 N N -0.571 118.145 118.700 0.028 0.000 2.994 595 N HA -0.160 4.568 4.740 -0.021 0.000 0.221 595 N C -0.484 175.052 175.510 0.043 0.000 0.900 595 N CA 0.574 53.642 53.050 0.030 0.000 1.008 595 N CB -1.309 37.187 38.487 0.015 0.000 1.053 595 N HN 0.293 nan 8.380 nan 0.000 0.580 596 S N 0.871 116.603 115.700 0.054 0.000 2.584 596 S HA 0.382 4.840 4.470 -0.021 0.000 0.270 596 S C -2.359 172.289 174.600 0.080 0.000 1.346 596 S CA -0.972 57.269 58.200 0.069 0.000 1.018 596 S CB 0.658 63.907 63.200 0.082 0.000 0.899 596 S HN -0.087 nan 8.310 nan 0.000 0.542 597 P HA 0.138 nan 4.420 nan 0.000 0.264 597 P C 0.652 178.003 177.300 0.085 0.000 1.179 597 P CA 0.442 63.588 63.100 0.077 0.000 0.763 597 P CB -0.049 31.693 31.700 0.070 0.000 0.806 598 G N 1.959 110.788 108.800 0.048 0.000 2.630 598 G HA2 0.060 4.008 3.960 -0.021 0.000 0.236 598 G HA3 0.060 4.008 3.960 -0.021 0.000 0.236 598 G C 0.595 175.490 174.900 -0.010 0.000 1.248 598 G CA -0.480 44.632 45.100 0.019 0.000 0.844 598 G HN 0.574 nan 8.290 nan 0.000 0.588 599 F N -1.148 118.842 119.950 0.066 0.000 2.451 599 F HA 0.127 4.642 4.527 -0.020 0.000 0.299 599 F C 2.094 177.850 175.800 -0.074 0.000 1.101 599 F CA 0.687 58.732 58.000 0.075 0.000 1.436 599 F CB -0.213 38.944 39.000 0.261 0.000 1.074 599 F HN 0.230 nan 8.300 nan 0.000 0.553 600 M N -0.337 118.921 119.600 -0.570 0.000 2.441 600 M HA 0.084 4.551 4.480 -0.021 0.000 0.244 600 M C 1.605 177.336 176.300 -0.948 0.000 1.122 600 M CA 0.040 54.881 55.300 -0.765 0.000 1.041 600 M CB -0.036 31.899 32.600 -1.107 0.000 1.438 600 M HN 0.127 nan 8.290 nan 0.000 0.484 601 M N 0.237 119.525 119.600 -0.520 0.000 2.108 601 M HA -0.229 4.238 4.480 -0.021 0.000 0.261 601 M C 1.362 177.595 176.300 -0.111 0.000 1.066 601 M CA 1.874 57.028 55.300 -0.244 0.000 1.107 601 M CB -1.235 31.343 32.600 -0.036 0.000 1.356 601 M HN 0.247 nan 8.290 nan 0.000 0.406 602 D N 0.442 120.804 120.400 -0.064 0.000 2.104 602 D HA -0.101 4.527 4.640 -0.021 0.000 0.194 602 D C 1.987 178.348 176.300 0.102 0.000 0.994 602 D CA 1.132 55.176 54.000 0.072 0.000 0.830 602 D CB 0.045 40.899 40.800 0.091 0.000 0.959 602 D HN 0.322 nan 8.370 nan 0.000 0.452 603 I N -0.232 120.336 120.570 -0.003 0.000 2.179 603 I HA -0.243 3.914 4.170 -0.021 0.000 0.242 603 I C 1.730 177.951 176.117 0.174 0.000 1.088 603 I CA 0.510 61.849 61.300 0.065 0.000 1.357 603 I CB -0.260 37.746 38.000 0.009 0.000 1.051 603 I HN 0.043 nan 8.210 nan 0.000 0.409 604 F N 1.117 121.108 119.950 0.067 0.000 2.161 604 F HA -0.241 4.275 4.527 -0.018 0.000 0.300 604 F C 2.570 178.490 175.800 0.199 0.000 1.089 604 F CA 1.579 59.634 58.000 0.091 0.000 1.282 604 F CB -1.095 37.862 39.000 -0.072 0.000 1.010 604 F HN 0.207 nan 8.300 nan 0.000 0.485 605 E N -0.858 119.490 120.200 0.247 0.000 2.046 605 E HA -0.177 4.160 4.350 -0.021 0.000 0.190 605 E C 1.590 178.072 176.600 -0.197 0.000 0.982 605 E CA 1.462 57.854 56.400 -0.013 0.000 0.800 605 E CB -0.124 29.378 29.700 -0.331 0.000 0.756 605 E HN 0.528 nan 8.360 nan 0.000 0.449 606 H N -0.825 118.321 119.070 0.126 0.000 2.654 606 H HA 0.137 4.681 4.556 -0.020 0.000 0.264 606 H C -0.098 175.270 175.328 0.066 0.000 0.954 606 H CA 0.167 56.258 56.048 0.073 0.000 1.199 606 H CB 0.562 30.356 29.762 0.053 0.000 1.446 606 H HN 0.025 nan 8.280 nan 0.000 0.516 607 D N 1.454 121.963 120.400 0.182 0.000 2.336 607 D HA -0.041 4.587 4.640 -0.021 0.000 0.249 607 D C 0.550 176.908 176.300 0.096 0.000 1.213 607 D CA 0.170 54.254 54.000 0.140 0.000 0.870 607 D CB 0.846 41.739 40.800 0.155 0.000 1.076 607 D HN 0.399 nan 8.370 nan 0.000 0.483 608 E N 2.284 122.523 120.200 0.064 0.000 2.070 608 E HA -0.241 4.096 4.350 -0.021 0.000 0.197 608 E C 1.759 178.365 176.600 0.009 0.000 1.004 608 E CA 0.928 57.340 56.400 0.020 0.000 0.805 608 E CB 0.086 29.792 29.700 0.010 0.000 0.744 608 E HN 0.421 nan 8.360 nan 0.000 0.451 609 L N 0.554 121.799 121.223 0.038 0.000 2.046 609 L HA -0.166 4.161 4.340 -0.021 0.000 0.208 609 L C 2.165 179.035 176.870 0.000 0.000 1.077 609 L CA 1.376 56.223 54.840 0.012 0.000 0.747 609 L CB -0.250 41.833 42.059 0.040 0.000 0.896 609 L HN -0.035 nan 8.230 nan 0.000 0.432 610 V N 1.077 121.022 119.914 0.052 0.000 2.270 610 V HA -0.277 3.830 4.120 -0.021 0.000 0.245 610 V C 2.316 178.457 176.094 0.079 0.000 1.043 610 V CA 1.859 64.209 62.300 0.085 0.000 1.014 610 V CB -1.239 30.697 31.823 0.190 0.000 0.645 610 V HN 0.752 nan 8.190 nan 0.000 0.447 611 N N 0.596 119.323 118.700 0.046 0.000 2.381 611 N HA -0.170 4.557 4.740 -0.021 0.000 0.182 611 N C 1.526 176.916 175.510 -0.200 0.000 1.025 611 N CA 1.231 54.220 53.050 -0.102 0.000 0.888 611 N CB -0.460 37.901 38.487 -0.210 0.000 0.965 611 N HN 0.419 nan 8.380 nan 0.000 0.438 612 K N -0.636 119.686 120.400 -0.131 0.000 2.296 612 K HA 0.130 4.437 4.320 -0.021 0.000 0.200 612 K C 0.718 177.236 176.600 -0.137 0.000 1.048 612 K CA 0.678 56.869 56.287 -0.160 0.000 0.966 612 K CB 0.112 32.528 32.500 -0.141 0.000 0.754 612 K HN 0.290 nan 8.250 nan 0.000 0.466 613 N N -0.145 118.507 118.700 -0.080 0.000 2.317 613 N HA -0.017 4.711 4.740 -0.021 0.000 0.199 613 N C 1.446 176.961 175.510 0.009 0.000 1.145 613 N CA 0.141 53.154 53.050 -0.061 0.000 0.882 613 N CB 0.405 38.836 38.487 -0.093 0.000 1.113 613 N HN 0.009 nan 8.380 nan 0.000 0.486 614 L N 1.390 122.636 121.223 0.039 0.000 2.056 614 L HA 0.026 4.354 4.340 -0.021 0.000 0.207 614 L C 2.067 178.970 176.870 0.055 0.000 1.078 614 L CA 1.190 56.041 54.840 0.017 0.000 0.749 614 L CB -0.599 41.436 42.059 -0.041 0.000 0.901 614 L HN 0.005 nan 8.230 nan 0.000 0.433 615 L N -1.244 120.074 121.223 0.159 0.000 1.970 615 L HA -0.268 4.060 4.340 -0.021 0.000 0.212 615 L C 2.397 179.345 176.870 0.130 0.000 1.071 615 L CA 2.117 57.042 54.840 0.141 0.000 0.751 615 L CB -1.069 41.111 42.059 0.202 0.000 0.889 615 L HN 0.431 nan 8.230 nan 0.000 0.432 616 Y N 0.131 120.464 120.300 0.055 0.000 2.081 616 Y HA -0.365 4.168 4.550 -0.028 0.000 0.280 616 Y C 2.425 178.412 175.900 0.145 0.000 1.163 616 Y CA 2.254 60.411 58.100 0.094 0.000 1.135 616 Y CB -0.772 37.631 38.460 -0.095 0.000 0.970 616 Y HN 0.317 nan 8.280 nan 0.000 0.498 617 A N 0.042 123.026 122.820 0.274 0.000 1.892 617 A HA -0.234 4.074 4.320 -0.021 0.000 0.218 617 A C 2.315 179.973 177.584 0.123 0.000 1.188 617 A CA 2.209 54.347 52.037 0.169 0.000 0.631 617 A CB -1.228 17.794 19.000 0.037 0.000 0.822 617 A HN 0.575 nan 8.150 nan 0.000 0.447 618 L N -0.924 120.335 121.223 0.061 0.000 2.072 618 L HA -0.112 4.216 4.340 -0.021 0.000 0.205 618 L C 2.499 179.388 176.870 0.033 0.000 1.079 618 L CA 0.911 55.784 54.840 0.055 0.000 0.752 618 L CB -0.465 41.571 42.059 -0.038 0.000 0.906 618 L HN 0.357 nan 8.230 nan 0.000 0.436 619 L N -0.528 120.629 121.223 -0.110 0.000 2.201 619 L HA -0.187 4.141 4.340 -0.021 0.000 0.212 619 L C 2.094 178.833 176.870 -0.218 0.000 1.105 619 L CA 0.957 55.576 54.840 -0.368 0.000 0.775 619 L CB -0.481 41.265 42.059 -0.521 0.000 0.913 619 L HN 0.290 nan 8.230 nan 0.000 0.440 620 D N 0.016 120.436 120.400 0.033 0.000 2.120 620 D HA -0.216 4.412 4.640 -0.021 0.000 0.202 620 D C 1.987 178.394 176.300 0.179 0.000 0.972 620 D CA 0.917 54.990 54.000 0.122 0.000 0.837 620 D CB 0.002 40.966 40.800 0.272 0.000 0.989 620 D HN 0.141 nan 8.370 nan 0.000 0.469 621 F N 0.012 119.999 119.950 0.062 0.000 2.216 621 F HA -0.129 4.385 4.527 -0.022 0.000 0.300 621 F C 1.885 177.737 175.800 0.087 0.000 1.085 621 F CA 1.009 59.046 58.000 0.061 0.000 1.326 621 F CB -0.710 38.318 39.000 0.047 0.000 1.027 621 F HN 0.056 nan 8.300 nan 0.000 0.497 622 Y N -0.472 119.817 120.300 -0.018 0.000 2.256 622 Y HA -0.246 4.289 4.550 -0.025 0.000 0.288 622 Y C 2.089 177.914 175.900 -0.125 0.000 1.155 622 Y CA 1.888 59.947 58.100 -0.069 0.000 1.203 622 Y CB -0.183 38.331 38.460 0.090 0.000 0.980 622 Y HN -0.057 nan 8.280 nan 0.000 0.530 623 V N -0.581 119.387 119.914 0.089 0.000 2.341 623 V HA -0.229 3.879 4.120 -0.021 0.000 0.240 623 V C 2.176 178.218 176.094 -0.087 0.000 1.035 623 V CA 1.153 63.456 62.300 0.006 0.000 1.033 623 V CB -0.524 31.288 31.823 -0.018 0.000 0.678 623 V HN 0.286 nan 8.190 nan 0.000 0.464 624 I N 1.754 122.280 120.570 -0.073 0.000 2.300 624 I HA -0.217 3.941 4.170 -0.021 0.000 0.252 624 I C 2.568 178.571 176.117 -0.190 0.000 1.119 624 I CA 2.044 63.296 61.300 -0.079 0.000 1.384 624 I CB -1.421 36.596 38.000 0.029 0.000 1.062 624 I HN 0.395 nan 8.210 nan 0.000 0.426 625 V N -0.966 118.718 119.914 -0.383 0.000 2.867 625 V HA -0.173 3.935 4.120 -0.021 0.000 0.260 625 V C 2.365 178.293 176.094 -0.276 0.000 1.099 625 V CA 1.598 63.651 62.300 -0.411 0.000 1.122 625 V CB -0.991 30.471 31.823 -0.601 0.000 0.708 625 V HN 0.231 nan 8.190 nan 0.000 0.490 626 E N 3.007 123.068 120.200 -0.233 0.000 2.065 626 E HA -0.272 4.065 4.350 -0.021 0.000 0.201 626 E C 1.960 178.486 176.600 -0.123 0.000 1.016 626 E CA 2.259 58.555 56.400 -0.174 0.000 0.818 626 E CB -0.502 29.129 29.700 -0.116 0.000 0.749 626 E HN 0.898 nan 8.360 nan 0.000 0.453 627 K N -0.148 120.195 120.400 -0.094 0.000 2.668 627 K HA -0.009 4.299 4.320 -0.021 0.000 0.204 627 K C 0.203 176.769 176.600 -0.056 0.000 1.016 627 K CA 0.706 56.957 56.287 -0.060 0.000 1.131 627 K CB -0.375 32.102 32.500 -0.039 0.000 0.891 627 K HN -0.111 nan 8.250 nan 0.000 0.499 628 T N 1.003 115.512 114.554 -0.075 0.000 3.859 628 T HA 0.143 4.481 4.350 -0.021 0.000 0.251 628 T C 1.278 175.964 174.700 -0.024 0.000 1.079 628 T CA 0.118 62.187 62.100 -0.052 0.000 1.151 628 T CB -0.259 68.579 68.868 -0.050 0.000 1.173 628 T HN 0.522 nan 8.240 nan 0.000 0.885 629 G N 3.426 112.215 108.800 -0.019 0.000 2.877 629 G HA2 -0.158 3.790 3.960 -0.021 0.000 0.211 629 G HA3 -0.158 3.790 3.960 -0.021 0.000 0.211 629 G C 0.820 175.726 174.900 0.011 0.000 1.367 629 G CA 0.750 45.846 45.100 -0.006 0.000 0.807 629 G HN 0.842 nan 8.290 nan 0.000 0.666 630 S N -1.264 114.449 115.700 0.022 0.000 2.565 630 S HA 0.612 5.070 4.470 -0.021 0.000 0.276 630 S C -0.292 174.363 174.600 0.093 0.000 1.326 630 S CA 0.295 58.525 58.200 0.050 0.000 1.045 630 S CB 1.496 64.726 63.200 0.051 0.000 0.918 630 S HN 0.773 nan 8.310 nan 0.000 0.505 631 S N 0.937 116.718 115.700 0.135 0.000 2.769 631 S HA 0.496 4.953 4.470 -0.021 0.000 0.283 631 S C -1.436 173.236 174.600 0.121 0.000 0.936 631 S CA -0.801 57.546 58.200 0.245 0.000 0.893 631 S CB 0.970 64.320 63.200 0.249 0.000 1.125 631 S HN 0.947 nan 8.310 nan 0.000 0.464 632 S N 1.904 117.632 115.700 0.047 0.000 2.543 632 S HA 0.373 4.831 4.470 -0.021 0.000 0.274 632 S C -1.365 173.169 174.600 -0.110 0.000 1.149 632 S CA -1.014 57.168 58.200 -0.031 0.000 0.866 632 S CB 1.557 64.724 63.200 -0.054 0.000 1.111 632 S HN 0.764 nan 8.310 nan 0.000 0.457 633 Q N 2.049 121.807 119.800 -0.070 0.000 2.394 633 Q HA -0.018 4.309 4.340 -0.021 0.000 0.347 633 Q C -0.639 175.107 176.000 -0.423 0.000 1.144 633 Q CA 0.847 56.578 55.803 -0.120 0.000 1.050 633 Q CB -0.324 28.387 28.738 -0.045 0.000 1.188 633 Q HN 0.490 nan 8.270 nan 0.000 0.406 634 F N 0.743 120.566 119.950 -0.213 0.000 2.331 634 F HA 0.142 4.656 4.527 -0.022 0.000 0.293 634 F C 0.984 176.573 175.800 -0.352 0.000 1.277 634 F CA -0.477 57.286 58.000 -0.395 0.000 1.204 634 F CB -0.602 37.948 39.000 -0.751 0.000 1.374 634 F HN 0.734 nan 8.300 nan 0.000 0.520 635 Y N -2.495 117.985 120.300 0.301 0.000 4.753 635 Y HA -0.311 4.226 4.550 -0.022 0.000 0.232 635 Y C 0.608 176.624 175.900 0.193 0.000 1.029 635 Y CA 0.176 58.417 58.100 0.237 0.000 1.996 635 Y CB -2.740 35.873 38.460 0.255 0.000 1.602 635 Y HN 0.457 nan 8.280 nan 0.000 0.621 636 D N 1.545 122.057 120.400 0.186 0.000 2.560 636 D HA -0.122 4.505 4.640 -0.021 0.000 0.226 636 D C 1.423 177.757 176.300 0.058 0.000 1.222 636 D CA 1.287 55.363 54.000 0.127 0.000 0.880 636 D CB 0.601 41.496 40.800 0.158 0.000 1.234 636 D HN 0.569 nan 8.370 nan 0.000 0.515 637 K N 1.220 121.545 120.400 -0.125 0.000 2.211 637 K HA -0.136 4.171 4.320 -0.021 0.000 0.203 637 K C 1.811 178.208 176.600 -0.339 0.000 1.050 637 K CA 1.109 57.200 56.287 -0.327 0.000 0.945 637 K CB -0.246 31.943 32.500 -0.518 0.000 0.732 637 K HN 0.316 nan 8.250 nan 0.000 0.451 638 F N 2.336 122.285 119.950 -0.001 0.000 2.293 638 F HA 0.033 4.550 4.527 -0.018 0.000 0.297 638 F C 2.000 177.835 175.800 0.058 0.000 1.089 638 F CA 0.574 58.579 58.000 0.009 0.000 1.377 638 F CB -0.451 38.574 39.000 0.040 0.000 1.051 638 F HN 0.053 nan 8.300 nan 0.000 0.511 639 N N -0.121 118.723 118.700 0.241 0.000 2.135 639 N HA -0.122 4.605 4.740 -0.021 0.000 0.186 639 N C 2.018 177.682 175.510 0.257 0.000 1.027 639 N CA 1.447 54.636 53.050 0.231 0.000 0.849 639 N CB -0.756 37.839 38.487 0.179 0.000 1.002 639 N HN 0.099 nan 8.380 nan 0.000 0.425 640 S N 1.098 116.916 115.700 0.197 0.000 2.370 640 S HA -0.057 4.400 4.470 -0.021 0.000 0.226 640 S C 1.915 176.582 174.600 0.111 0.000 1.033 640 S CA 0.955 59.270 58.200 0.192 0.000 1.011 640 S CB -0.037 63.243 63.200 0.133 0.000 0.852 640 S HN 0.353 nan 8.310 nan 0.000 0.457 641 R N -0.664 119.822 120.500 -0.023 0.000 2.092 641 R HA -0.053 4.274 4.340 -0.021 0.000 0.231 641 R C 2.185 178.587 176.300 0.170 0.000 1.119 641 R CA 1.234 57.253 56.100 -0.135 0.000 0.970 641 R CB -0.402 29.613 30.300 -0.475 0.000 0.864 641 R HN 0.468 nan 8.270 nan 0.000 0.440 642 Y N 1.491 121.848 120.300 0.096 0.000 2.145 642 Y HA -0.215 4.322 4.550 -0.022 0.000 0.286 642 Y C 2.368 178.336 175.900 0.115 0.000 1.145 642 Y CA 1.661 59.829 58.100 0.113 0.000 1.148 642 Y CB -0.240 38.282 38.460 0.102 0.000 0.981 642 Y HN -0.090 nan 8.280 nan 0.000 0.507 643 S N 0.421 116.218 115.700 0.161 0.000 2.382 643 S HA -0.188 4.269 4.470 -0.021 0.000 0.228 643 S C 2.057 176.677 174.600 0.032 0.000 1.027 643 S CA 1.692 59.934 58.200 0.070 0.000 0.991 643 S CB -0.518 62.792 63.200 0.184 0.000 0.823 643 S HN 0.489 nan 8.310 nan 0.000 0.469 644 I N 1.261 121.902 120.570 0.119 0.000 2.315 644 I HA -0.147 4.011 4.170 -0.021 0.000 0.248 644 I C 2.319 178.474 176.117 0.064 0.000 1.117 644 I CA 0.816 62.197 61.300 0.136 0.000 1.404 644 I CB -0.330 37.853 38.000 0.305 0.000 1.071 644 I HN 0.202 nan 8.210 nan 0.000 0.419 645 S N 0.832 116.570 115.700 0.064 0.000 2.382 645 S HA -0.097 4.360 4.470 -0.021 0.000 0.228 645 S C 2.003 176.519 174.600 -0.140 0.000 1.027 645 S CA 1.136 59.327 58.200 -0.014 0.000 0.991 645 S CB -0.275 62.934 63.200 0.016 0.000 0.823 645 S HN 0.333 nan 8.310 nan 0.000 0.469 646 I N 1.361 121.805 120.570 -0.209 0.000 2.163 646 I HA -0.228 3.930 4.170 -0.021 0.000 0.243 646 I C 1.998 178.031 176.117 -0.139 0.000 1.085 646 I CA 1.401 62.581 61.300 -0.200 0.000 1.347 646 I CB -0.463 37.400 38.000 -0.227 0.000 1.044 646 I HN 0.258 nan 8.210 nan 0.000 0.408 647 I N 0.265 120.764 120.570 -0.118 0.000 2.252 647 I HA -0.274 3.883 4.170 -0.021 0.000 0.245 647 I C 2.446 178.456 176.117 -0.178 0.000 1.102 647 I CA 1.261 62.476 61.300 -0.142 0.000 1.385 647 I CB -0.339 37.556 38.000 -0.176 0.000 1.064 647 I HN 0.182 nan 8.210 nan 0.000 0.414 648 L N 0.439 121.575 121.223 -0.145 0.000 2.046 648 L HA -0.233 4.095 4.340 -0.021 0.000 0.208 648 L C 2.685 179.469 176.870 -0.144 0.000 1.077 648 L CA 1.646 56.417 54.840 -0.116 0.000 0.747 648 L CB -0.571 41.443 42.059 -0.074 0.000 0.896 648 L HN 0.358 nan 8.230 nan 0.000 0.432 649 E N -0.035 120.017 120.200 -0.247 0.000 2.047 649 E HA -0.216 4.121 4.350 -0.021 0.000 0.191 649 E C 2.016 178.257 176.600 -0.598 0.000 0.987 649 E CA 0.980 57.099 56.400 -0.469 0.000 0.799 649 E CB 0.196 29.642 29.700 -0.423 0.000 0.752 649 E HN 0.362 nan 8.360 nan 0.000 0.449 650 E N 0.733 120.754 120.200 -0.297 0.000 2.106 650 E HA -0.147 4.190 4.350 -0.021 0.000 0.192 650 E C 2.365 178.930 176.600 -0.058 0.000 0.984 650 E CA 0.581 56.911 56.400 -0.117 0.000 0.806 650 E CB -0.228 29.468 29.700 -0.007 0.000 0.750 650 E HN 0.389 nan 8.360 nan 0.000 0.458 651 L N -0.226 120.926 121.223 -0.118 0.000 2.013 651 L HA -0.240 4.087 4.340 -0.021 0.000 0.212 651 L C 2.575 179.472 176.870 0.046 0.000 1.073 651 L CA 1.575 56.330 54.840 -0.143 0.000 0.753 651 L CB -0.621 41.220 42.059 -0.364 0.000 0.890 651 L HN 0.125 nan 8.230 nan 0.000 0.432 652 Y N -0.862 119.399 120.300 -0.065 0.000 2.224 652 Y HA -0.289 4.248 4.550 -0.021 0.000 0.289 652 Y C 2.474 178.438 175.900 0.107 0.000 1.146 652 Y CA 1.524 59.642 58.100 0.030 0.000 1.182 652 Y CB -0.090 38.386 38.460 0.027 0.000 0.983 652 Y HN 0.059 nan 8.280 nan 0.000 0.524 653 Y N -0.184 120.229 120.300 0.188 0.000 2.184 653 Y HA -0.112 4.426 4.550 -0.019 0.000 0.290 653 Y C 2.067 177.996 175.900 0.048 0.000 1.129 653 Y CA 1.313 59.476 58.100 0.106 0.000 1.144 653 Y CB -0.528 37.983 38.460 0.086 0.000 0.995 653 Y HN 0.049 nan 8.280 nan 0.000 0.513 654 K N -0.619 119.916 120.400 0.225 0.000 2.360 654 K HA 0.317 4.625 4.320 -0.021 0.000 0.196 654 K C -0.244 176.418 176.600 0.103 0.000 1.049 654 K CA 0.290 56.665 56.287 0.147 0.000 1.049 654 K CB 0.799 33.384 32.500 0.141 0.000 0.881 654 K HN 0.097 nan 8.250 nan 0.000 0.542 655 I N 1.912 122.544 120.570 0.105 0.000 2.466 655 I HA 0.176 4.333 4.170 -0.021 0.000 0.279 655 I C -2.269 173.907 176.117 0.100 0.000 1.033 655 I CA -2.256 59.120 61.300 0.126 0.000 1.123 655 I CB 1.872 40.014 38.000 0.235 0.000 1.237 655 I HN -0.253 nan 8.210 nan 0.000 0.460 656 P HA -0.196 nan 4.420 nan 0.000 0.215 656 P C 1.754 179.034 177.300 -0.034 0.000 1.153 656 P CA 1.432 64.519 63.100 -0.022 0.000 0.853 656 P CB 0.197 31.886 31.700 -0.020 0.000 0.788 657 S N -1.973 113.702 115.700 -0.042 0.000 2.387 657 S HA -0.249 4.209 4.470 -0.021 0.000 0.230 657 S C 1.917 176.415 174.600 -0.170 0.000 1.035 657 S CA 1.314 59.435 58.200 -0.132 0.000 1.014 657 S CB -1.834 61.243 63.200 -0.204 0.000 0.836 657 S HN 0.161 nan 8.310 nan 0.000 0.466 658 Y N 1.862 122.127 120.300 -0.059 0.000 2.337 658 Y HA 0.171 4.707 4.550 -0.022 0.000 0.293 658 Y C 2.633 178.519 175.900 -0.023 0.000 1.123 658 Y CA 1.102 59.180 58.100 -0.036 0.000 1.201 658 Y CB -0.218 38.231 38.460 -0.018 0.000 1.011 658 Y HN 0.255 nan 8.280 nan 0.000 0.545 659 K N 0.516 120.939 120.400 0.037 0.000 2.026 659 K HA -0.197 4.111 4.320 -0.021 0.000 0.208 659 K C 1.634 178.203 176.600 -0.051 0.000 1.048 659 K CA 1.856 58.042 56.287 -0.168 0.000 0.929 659 K CB -0.080 32.149 32.500 -0.451 0.000 0.713 659 K HN 0.211 nan 8.250 nan 0.000 0.439 660 N N 0.975 119.647 118.700 -0.046 0.000 2.166 660 N HA -0.166 4.562 4.740 -0.021 0.000 0.186 660 N C 1.730 177.261 175.510 0.036 0.000 1.019 660 N CA 1.322 54.366 53.050 -0.010 0.000 0.856 660 N CB -0.202 38.267 38.487 -0.030 0.000 0.993 660 N HN 0.396 nan 8.380 nan 0.000 0.426 661 Q N 0.247 120.041 119.800 -0.010 0.000 2.167 661 Q HA -0.033 4.295 4.340 -0.021 0.000 0.202 661 Q C 2.105 178.168 176.000 0.104 0.000 0.970 661 Q CA 0.593 56.402 55.803 0.010 0.000 0.855 661 Q CB -0.066 28.617 28.738 -0.091 0.000 0.911 661 Q HN 0.278 nan 8.270 nan 0.000 0.438 662 L N 0.463 121.732 121.223 0.076 0.000 2.027 662 L HA -0.162 4.165 4.340 -0.021 0.000 0.206 662 L C 2.052 178.828 176.870 -0.158 0.000 1.074 662 L CA 1.307 56.145 54.840 -0.003 0.000 0.745 662 L CB -0.130 42.009 42.059 0.134 0.000 0.898 662 L HN 0.181 nan 8.230 nan 0.000 0.433 663 I N -1.636 118.896 120.570 -0.064 0.000 2.208 663 I HA -0.351 3.806 4.170 -0.021 0.000 0.245 663 I C 2.261 178.298 176.117 -0.132 0.000 1.097 663 I CA 1.892 63.120 61.300 -0.121 0.000 1.363 663 I CB -0.506 37.485 38.000 -0.014 0.000 1.051 663 I HN 0.511 nan 8.210 nan 0.000 0.413 664 W N 1.757 122.956 121.300 -0.169 0.000 2.333 664 W HA -0.264 4.382 4.660 -0.024 0.000 0.316 664 W C 2.753 179.179 176.519 -0.154 0.000 1.215 664 W CA 1.508 58.771 57.345 -0.137 0.000 1.278 664 W CB -0.147 29.254 29.460 -0.098 0.000 1.154 664 W HN 0.089 nan 8.180 nan 0.000 0.486 665 Q N -0.190 119.723 119.800 0.190 0.000 2.135 665 Q HA -0.198 4.129 4.340 -0.021 0.000 0.204 665 Q C 2.322 178.156 176.000 -0.277 0.000 0.981 665 Q CA 2.211 58.071 55.803 0.095 0.000 0.856 665 Q CB -1.267 27.606 28.738 0.225 0.000 0.902 665 Q HN 0.531 nan 8.270 nan 0.000 0.425 666 S N -0.509 114.792 115.700 -0.664 0.000 2.453 666 S HA -0.086 4.371 4.470 -0.021 0.000 0.231 666 S C 1.750 176.091 174.600 -0.431 0.000 1.005 666 S CA 0.730 58.421 58.200 -0.849 0.000 0.949 666 S CB 0.020 62.471 63.200 -1.248 0.000 0.774 666 S HN 0.343 nan 8.310 nan 0.000 0.510 667 Q N 0.497 120.043 119.800 -0.423 0.000 2.349 667 Q HA 0.258 4.585 4.340 -0.021 0.000 0.209 667 Q C 0.935 176.679 176.000 -0.427 0.000 0.920 667 Q CA 0.740 56.325 55.803 -0.364 0.000 0.901 667 Q CB 0.100 28.637 28.738 -0.336 0.000 1.021 667 Q HN 0.698 nan 8.270 nan 0.000 0.519 668 N N -0.274 118.027 118.700 -0.666 0.000 2.166 668 N HA 0.088 4.816 4.740 -0.021 0.000 0.213 668 N C -0.272 174.888 175.510 -0.583 0.000 1.222 668 N CA 0.001 52.566 53.050 -0.808 0.000 0.900 668 N CB 0.741 38.227 38.487 -1.669 0.000 1.055 668 N HN -0.000 nan 8.380 nan 0.000 0.515 669 N N 0.467 118.955 118.700 -0.355 0.000 2.646 669 N HA 0.245 4.973 4.740 -0.021 0.000 0.296 669 N C 0.469 176.024 175.510 0.074 0.000 1.886 669 N CA -0.068 52.949 53.050 -0.055 0.000 0.855 669 N CB 0.355 38.910 38.487 0.112 0.000 1.336 669 N HN 0.054 nan 8.380 nan 0.000 0.496 670 A N 0.453 123.272 122.820 -0.002 0.000 1.917 670 A HA -0.196 4.111 4.320 -0.021 0.000 0.219 670 A C 1.664 179.325 177.584 0.129 0.000 1.182 670 A CA 1.564 53.637 52.037 0.061 0.000 0.633 670 A CB -0.218 18.779 19.000 -0.007 0.000 0.819 670 A HN 0.459 nan 8.150 nan 0.000 0.448 671 D N -1.299 119.166 120.400 0.108 0.000 2.144 671 D HA -0.135 4.493 4.640 -0.021 0.000 0.199 671 D C 1.577 177.966 176.300 0.149 0.000 0.984 671 D CA 1.321 55.383 54.000 0.104 0.000 0.834 671 D CB -0.402 40.454 40.800 0.093 0.000 0.955 671 D HN 0.537 nan 8.370 nan 0.000 0.465 672 F N 0.146 120.129 119.950 0.056 0.000 2.163 672 F HA -0.080 4.426 4.527 -0.035 0.000 0.297 672 F C 2.003 177.833 175.800 0.050 0.000 1.094 672 F CA 0.708 58.730 58.000 0.036 0.000 1.290 672 F CB -0.282 38.745 39.000 0.044 0.000 1.017 672 F HN -0.140 nan 8.300 nan 0.000 0.483 673 F N 0.737 120.679 119.950 -0.014 0.000 2.206 673 F HA -0.069 4.445 4.527 -0.023 0.000 0.298 673 F C 2.395 178.126 175.800 -0.114 0.000 1.090 673 F CA 1.681 59.614 58.000 -0.112 0.000 1.323 673 F CB -0.794 38.175 39.000 -0.052 0.000 1.028 673 F HN -0.090 nan 8.300 nan 0.000 0.492 674 V N -0.595 119.265 119.914 -0.091 0.000 2.490 674 V HA -0.212 3.896 4.120 -0.021 0.000 0.250 674 V C 2.466 178.423 176.094 -0.230 0.000 1.061 674 V CA 2.087 64.277 62.300 -0.184 0.000 1.064 674 V CB -1.087 30.706 31.823 -0.051 0.000 0.670 674 V HN 0.413 nan 8.190 nan 0.000 0.461 675 R N -0.587 119.792 120.500 -0.201 0.000 2.075 675 R HA -0.106 4.221 4.340 -0.021 0.000 0.232 675 R C 2.208 178.374 176.300 -0.223 0.000 1.126 675 R CA 1.905 57.898 56.100 -0.180 0.000 0.963 675 R CB -0.483 29.717 30.300 -0.167 0.000 0.858 675 R HN 0.630 nan 8.270 nan 0.000 0.435 676 F N 0.886 120.531 119.950 -0.509 0.000 2.095 676 F HA -0.210 4.302 4.527 -0.026 0.000 0.298 676 F C 1.834 177.335 175.800 -0.498 0.000 1.104 676 F CA 1.505 59.177 58.000 -0.547 0.000 1.232 676 F CB -0.572 37.972 39.000 -0.760 0.000 0.987 676 F HN -0.211 nan 8.300 nan 0.000 0.475 677 V N 0.924 120.328 119.914 -0.849 0.000 2.307 677 V HA -0.273 3.834 4.120 -0.021 0.000 0.245 677 V C 2.866 178.729 176.094 -0.385 0.000 1.045 677 V CA 1.830 63.645 62.300 -0.809 0.000 1.024 677 V CB -1.634 29.848 31.823 -0.568 0.000 0.651 677 V HN 0.534 nan 8.190 nan 0.000 0.449 678 A N -0.303 122.378 122.820 -0.230 0.000 1.917 678 A HA -0.283 4.025 4.320 -0.021 0.000 0.219 678 A C 2.404 179.945 177.584 -0.071 0.000 1.182 678 A CA 2.018 54.002 52.037 -0.088 0.000 0.633 678 A CB -0.570 18.392 19.000 -0.062 0.000 0.819 678 A HN 0.397 nan 8.150 nan 0.000 0.448 679 R N -1.389 119.043 120.500 -0.115 0.000 2.073 679 R HA -0.093 4.234 4.340 -0.021 0.000 0.234 679 R C 2.308 178.614 176.300 0.010 0.000 1.134 679 R CA 1.706 57.796 56.100 -0.018 0.000 0.952 679 R CB -0.617 29.711 30.300 0.047 0.000 0.850 679 R HN 0.707 nan 8.270 nan 0.000 0.433 680 M N 0.560 120.076 119.600 -0.141 0.000 2.106 680 M HA -0.212 4.255 4.480 -0.021 0.000 0.259 680 M C 2.287 178.623 176.300 0.060 0.000 1.068 680 M CA 1.522 56.748 55.300 -0.123 0.000 1.100 680 M CB -0.101 32.100 32.600 -0.665 0.000 1.351 680 M HN 0.185 nan 8.290 nan 0.000 0.404 681 L N -0.163 121.133 121.223 0.121 0.000 2.027 681 L HA -0.256 4.071 4.340 -0.021 0.000 0.206 681 L C 1.978 178.890 176.870 0.069 0.000 1.074 681 L CA 1.849 56.812 54.840 0.206 0.000 0.745 681 L CB -0.456 41.714 42.059 0.185 0.000 0.898 681 L HN 0.357 nan 8.230 nan 0.000 0.433 682 N N 0.050 118.784 118.700 0.057 0.000 2.120 682 N HA -0.226 4.501 4.740 -0.021 0.000 0.188 682 N C 1.441 176.967 175.510 0.027 0.000 1.024 682 N CA 1.749 54.848 53.050 0.081 0.000 0.852 682 N CB -0.072 38.485 38.487 0.117 0.000 1.003 682 N HN 0.330 nan 8.380 nan 0.000 0.424 683 D N -0.284 120.078 120.400 -0.064 0.000 2.144 683 D HA -0.113 4.515 4.640 -0.021 0.000 0.199 683 D C 1.534 177.424 176.300 -0.682 0.000 0.984 683 D CA 0.470 54.161 54.000 -0.514 0.000 0.834 683 D CB -0.267 40.453 40.800 -0.132 0.000 0.955 683 D HN 0.195 nan 8.370 nan 0.000 0.465 684 L N 1.033 122.114 121.223 -0.237 0.000 2.465 684 L HA -0.041 4.287 4.340 -0.021 0.000 0.224 684 L C 2.274 179.077 176.870 -0.111 0.000 1.145 684 L CA 1.214 55.965 54.840 -0.149 0.000 0.834 684 L CB -1.284 40.777 42.059 0.003 0.000 0.944 684 L HN 0.133 nan 8.230 nan 0.000 0.451 685 T N -3.502 110.992 114.554 -0.099 0.000 2.904 685 T HA -0.167 4.171 4.350 -0.021 0.000 0.267 685 T C 1.466 176.246 174.700 0.134 0.000 1.059 685 T CA 1.453 63.574 62.100 0.034 0.000 1.137 685 T CB -0.502 68.398 68.868 0.054 0.000 0.879 685 T HN 0.377 nan 8.240 nan 0.000 0.467 686 F N -0.701 119.293 119.950 0.073 0.000 2.752 686 F HA 0.556 5.069 4.527 -0.024 0.000 0.310 686 F C 1.577 177.394 175.800 0.029 0.000 1.097 686 F CA -0.877 57.160 58.000 0.063 0.000 1.238 686 F CB -0.353 38.662 39.000 0.025 0.000 1.061 686 F HN -0.018 nan 8.300 nan 0.000 0.591 687 L N 0.352 121.403 121.223 -0.287 0.000 2.046 687 L HA -0.152 4.176 4.340 -0.021 0.000 0.208 687 L C 2.489 179.335 176.870 -0.039 0.000 1.077 687 L CA 0.937 55.655 54.840 -0.203 0.000 0.747 687 L CB -0.532 41.356 42.059 -0.284 0.000 0.896 687 L HN 0.296 nan 8.230 nan 0.000 0.432 688 L N -0.163 121.060 121.223 0.001 0.000 2.027 688 L HA -0.216 4.112 4.340 -0.021 0.000 0.206 688 L C 2.054 178.946 176.870 0.037 0.000 1.074 688 L CA 1.837 56.699 54.840 0.038 0.000 0.745 688 L CB -0.734 41.351 42.059 0.043 0.000 0.898 688 L HN 0.187 nan 8.230 nan 0.000 0.433 689 D N -0.450 119.997 120.400 0.078 0.000 2.116 689 D HA -0.253 4.374 4.640 -0.021 0.000 0.193 689 D C 2.128 178.453 176.300 0.041 0.000 0.998 689 D CA 1.528 55.576 54.000 0.080 0.000 0.836 689 D CB 0.003 40.907 40.800 0.174 0.000 0.951 689 D HN 0.396 nan 8.370 nan 0.000 0.449 690 E N 0.105 120.346 120.200 0.069 0.000 2.110 690 E HA -0.072 4.265 4.350 -0.021 0.000 0.193 690 E C 2.097 178.673 176.600 -0.040 0.000 0.988 690 E CA 1.531 57.946 56.400 0.026 0.000 0.804 690 E CB -0.681 29.064 29.700 0.076 0.000 0.745 690 E HN 0.258 nan 8.360 nan 0.000 0.458 691 G N 0.560 109.332 108.800 -0.046 0.000 2.421 691 G HA2 -0.225 3.723 3.960 -0.021 0.000 0.216 691 G HA3 -0.225 3.723 3.960 -0.021 0.000 0.216 691 G C 1.587 176.389 174.900 -0.163 0.000 1.171 691 G CA 0.945 45.992 45.100 -0.088 0.000 0.775 691 G HN 0.289 nan 8.290 nan 0.000 0.543 692 L N 0.601 121.733 121.223 -0.151 0.000 2.017 692 L HA -0.096 4.232 4.340 -0.021 0.000 0.208 692 L C 3.107 179.883 176.870 -0.157 0.000 1.073 692 L CA 1.385 56.104 54.840 -0.202 0.000 0.745 692 L CB -0.533 41.446 42.059 -0.134 0.000 0.894 692 L HN 0.353 nan 8.230 nan 0.000 0.432 693 S N -0.014 115.627 115.700 -0.098 0.000 2.368 693 S HA -0.186 4.271 4.470 -0.021 0.000 0.225 693 S C 1.870 176.411 174.600 -0.097 0.000 1.030 693 S CA 1.510 59.663 58.200 -0.078 0.000 0.999 693 S CB -0.264 62.909 63.200 -0.045 0.000 0.844 693 S HN 0.428 nan 8.310 nan 0.000 0.459 694 N N 1.068 119.701 118.700 -0.111 0.000 2.166 694 N HA -0.022 4.706 4.740 -0.021 0.000 0.186 694 N C 1.816 177.222 175.510 -0.175 0.000 1.019 694 N CA 1.213 54.188 53.050 -0.126 0.000 0.856 694 N CB -0.434 37.980 38.487 -0.121 0.000 0.993 694 N HN 0.409 nan 8.380 nan 0.000 0.426 695 L N 0.861 121.944 121.223 -0.233 0.000 2.131 695 L HA -0.130 4.198 4.340 -0.021 0.000 0.210 695 L C 2.405 179.175 176.870 -0.166 0.000 1.092 695 L CA 0.944 55.609 54.840 -0.291 0.000 0.759 695 L CB -0.316 41.496 42.059 -0.411 0.000 0.903 695 L HN 0.130 nan 8.230 nan 0.000 0.435 696 A N -0.582 122.159 122.820 -0.131 0.000 1.970 696 A HA -0.177 4.131 4.320 -0.021 0.000 0.216 696 A C 2.165 179.726 177.584 -0.039 0.000 1.170 696 A CA 1.327 53.323 52.037 -0.070 0.000 0.645 696 A CB -0.256 18.698 19.000 -0.077 0.000 0.816 696 A HN 0.346 nan 8.150 nan 0.000 0.447 697 E N 0.195 120.356 120.200 -0.065 0.000 2.106 697 E HA -0.093 4.244 4.350 -0.021 0.000 0.192 697 E C 1.739 178.300 176.600 -0.064 0.000 0.984 697 E CA 1.379 57.745 56.400 -0.056 0.000 0.806 697 E CB -0.459 29.205 29.700 -0.061 0.000 0.750 697 E HN 0.218 nan 8.360 nan 0.000 0.458 698 V N 0.434 120.290 119.914 -0.097 0.000 2.282 698 V HA -0.307 3.800 4.120 -0.021 0.000 0.249 698 V C 2.044 178.058 176.094 -0.134 0.000 1.057 698 V CA 2.434 64.656 62.300 -0.130 0.000 1.032 698 V CB -0.698 31.000 31.823 -0.207 0.000 0.645 698 V HN 0.407 nan 8.190 nan 0.000 0.447 699 H N 0.081 119.088 119.070 -0.105 0.000 2.389 699 H HA -0.083 4.460 4.556 -0.021 0.000 0.299 699 H C 2.345 177.641 175.328 -0.054 0.000 1.081 699 H CA 1.654 57.658 56.048 -0.073 0.000 1.345 699 H CB -0.098 29.619 29.762 -0.074 0.000 1.393 699 H HN 0.372 nan 8.280 nan 0.000 0.520 700 N N 0.266 118.984 118.700 0.031 0.000 2.069 700 N HA -0.139 4.588 4.740 -0.021 0.000 0.191 700 N C 1.960 177.457 175.510 -0.021 0.000 1.031 700 N CA 1.216 54.267 53.050 0.003 0.000 0.852 700 N CB -0.234 38.247 38.487 -0.010 0.000 1.018 700 N HN 0.367 nan 8.380 nan 0.000 0.423 701 I N 1.196 121.741 120.570 -0.042 0.000 2.142 701 I HA -0.245 3.912 4.170 -0.021 0.000 0.240 701 I C 2.424 178.503 176.117 -0.062 0.000 1.078 701 I CA 0.994 62.265 61.300 -0.049 0.000 1.343 701 I CB -0.270 37.697 38.000 -0.055 0.000 1.046 701 I HN 0.111 nan 8.210 nan 0.000 0.405 702 Q N 0.663 120.401 119.800 -0.105 0.000 2.112 702 Q HA -0.247 4.080 4.340 -0.021 0.000 0.206 702 Q C 1.902 177.855 176.000 -0.078 0.000 0.987 702 Q CA 1.930 57.659 55.803 -0.124 0.000 0.858 702 Q CB -0.630 27.957 28.738 -0.251 0.000 0.905 702 Q HN 0.570 nan 8.270 nan 0.000 0.420 703 N N 0.052 118.721 118.700 -0.052 0.000 2.244 703 N HA -0.165 4.563 4.740 -0.021 0.000 0.183 703 N C 1.579 177.081 175.510 -0.013 0.000 1.016 703 N CA 0.894 53.937 53.050 -0.013 0.000 0.866 703 N CB 0.032 38.530 38.487 0.019 0.000 0.980 703 N HN 0.145 nan 8.380 nan 0.000 0.430 704 E N 0.719 120.908 120.200 -0.018 0.000 2.110 704 E HA -0.096 4.242 4.350 -0.021 0.000 0.193 704 E C 1.628 178.219 176.600 -0.015 0.000 0.988 704 E CA 0.902 57.293 56.400 -0.015 0.000 0.804 704 E CB -0.195 29.496 29.700 -0.016 0.000 0.745 704 E HN 0.246 nan 8.360 nan 0.000 0.458 705 L N 0.779 121.989 121.223 -0.022 0.000 2.017 705 L HA -0.183 4.144 4.340 -0.021 0.000 0.208 705 L C 1.783 178.644 176.870 -0.015 0.000 1.073 705 L CA 1.949 56.777 54.840 -0.020 0.000 0.745 705 L CB -0.394 41.649 42.059 -0.027 0.000 0.894 705 L HN 0.131 nan 8.230 nan 0.000 0.432 706 D N -0.760 119.631 120.400 -0.016 0.000 2.218 706 D HA -0.188 4.439 4.640 -0.021 0.000 0.204 706 D C 1.697 177.995 176.300 -0.004 0.000 0.976 706 D CA 1.108 55.102 54.000 -0.009 0.000 0.853 706 D CB -0.621 40.175 40.800 -0.007 0.000 0.939 706 D HN 0.493 nan 8.370 nan 0.000 0.481 707 N N 1.401 120.098 118.700 -0.004 0.000 2.161 707 N HA -0.423 4.304 4.740 -0.021 0.000 0.199 707 N C 1.269 176.779 175.510 -0.000 0.000 0.990 707 N CA 2.742 55.791 53.050 -0.002 0.000 0.902 707 N CB -0.333 38.152 38.487 -0.003 0.000 1.074 707 N HN 0.095 nan 8.380 nan 0.000 0.556 708 R N -2.174 118.326 120.500 -0.000 0.000 3.793 708 R HA -0.316 4.012 4.340 -0.021 0.000 0.318 708 R C 1.538 177.839 176.300 0.002 0.000 0.729 708 R CA 2.002 58.103 56.100 0.001 0.000 1.731 708 R CB -1.958 28.343 30.300 0.002 0.000 1.879 708 R HN 0.635 nan 8.270 nan 0.000 0.498 709 A N 0.186 123.007 122.820 0.002 0.000 2.072 709 A HA 0.208 4.516 4.320 -0.021 0.000 0.216 709 A C 0.590 178.175 177.584 0.001 0.000 1.156 709 A CA 1.060 53.099 52.037 0.002 0.000 0.701 709 A CB -0.014 18.987 19.000 0.002 0.000 0.816 709 A HN 0.420 nan 8.150 nan 0.000 0.458 710 R N -3.110 117.391 120.500 0.001 0.000 1.041 710 R HA -0.155 4.173 4.340 -0.021 0.000 0.426 710 R C 0.850 177.150 176.300 -0.001 0.000 1.363 710 R CA 0.232 56.332 56.100 -0.000 0.000 1.277 710 R CB -1.086 29.214 30.300 0.000 0.000 3.597 710 R HN 0.544 nan 8.270 nan 0.000 0.505 711 G N 1.700 110.499 108.800 -0.002 0.000 2.670 711 G HA2 0.362 4.310 3.960 -0.021 0.000 0.219 711 G HA3 0.362 4.310 3.960 -0.021 0.000 0.219 711 G C -0.069 174.829 174.900 -0.002 0.000 1.342 711 G CA 0.581 45.680 45.100 -0.002 0.000 0.902 711 G HN 0.836 nan 8.290 nan 0.000 0.553 712 A N 1.862 124.681 122.820 -0.002 0.000 2.276 712 A HA 0.681 4.988 4.320 -0.021 0.000 0.300 712 A C -1.803 175.779 177.584 -0.004 0.000 1.235 712 A CA -1.002 51.033 52.037 -0.003 0.000 0.867 712 A CB 0.556 19.554 19.000 -0.003 0.000 1.137 712 A HN 0.377 nan 8.150 nan 0.000 0.527 717 E N 1.783 121.979 120.200 -0.006 0.000 2.485 717 E HA -0.065 4.273 4.350 -0.021 0.000 0.194 717 E C -0.110 176.486 176.600 -0.006 0.000 1.098 717 E CA 0.813 57.209 56.400 -0.007 0.000 0.878 717 E CB 0.156 29.853 29.700 -0.005 0.000 0.939 717 E HN 0.589 nan 8.360 nan 0.000 0.503 718 E N 0.536 120.733 120.200 -0.006 0.000 3.620 718 E HA -0.336 4.001 4.350 -0.021 0.000 0.491 718 E C 0.461 177.059 176.600 -0.003 0.000 1.639 718 E CA 2.130 58.527 56.400 -0.005 0.000 1.210 718 E CB -0.464 29.233 29.700 -0.006 0.000 1.098 718 E HN 0.218 nan 8.360 nan 0.000 0.362 719 E N 0.356 120.554 120.200 -0.003 0.000 2.224 719 E HA 0.137 4.474 4.350 -0.021 0.000 0.265 719 E C -0.171 176.427 176.600 -0.003 0.000 0.878 719 E CA -0.138 56.261 56.400 -0.002 0.000 0.759 719 E CB 1.373 31.073 29.700 -0.000 0.000 1.164 719 E HN 0.303 nan 8.360 nan 0.000 0.414 720 D N 4.065 124.464 120.400 -0.002 0.000 2.242 720 D HA -0.307 4.320 4.640 -0.021 0.000 0.190 720 D C 1.332 177.630 176.300 -0.002 0.000 1.012 720 D CA 2.336 56.334 54.000 -0.002 0.000 0.875 720 D CB 0.317 41.117 40.800 0.000 0.000 0.922 720 D HN 0.687 nan 8.370 nan 0.000 0.448 721 K N 0.492 120.892 120.400 0.000 0.000 2.148 721 K HA -0.107 4.200 4.320 -0.021 0.000 0.204 721 K C 2.111 178.710 176.600 -0.001 0.000 1.050 721 K CA 1.217 57.505 56.287 0.001 0.000 0.942 721 K CB -0.243 32.260 32.500 0.004 0.000 0.724 721 K HN 0.073 nan 8.250 nan 0.000 0.446 722 E N 1.038 121.237 120.200 -0.002 0.000 2.204 722 E HA -0.100 4.238 4.350 -0.021 0.000 0.194 722 E C 2.003 178.598 176.600 -0.008 0.000 0.989 722 E CA 0.670 57.067 56.400 -0.004 0.000 0.824 722 E CB 0.013 29.711 29.700 -0.004 0.000 0.756 722 E HN 0.411 nan 8.360 nan 0.000 0.477 723 L N 0.433 121.651 121.223 -0.009 0.000 2.056 723 L HA -0.213 4.115 4.340 -0.021 0.000 0.207 723 L C 2.664 179.526 176.870 -0.015 0.000 1.078 723 L CA 1.247 56.078 54.840 -0.014 0.000 0.749 723 L CB -0.285 41.765 42.059 -0.015 0.000 0.901 723 L HN 0.112 nan 8.230 nan 0.000 0.433 724 Q N -0.845 118.949 119.800 -0.010 0.000 2.124 724 Q HA -0.169 4.159 4.340 -0.021 0.000 0.202 724 Q C 2.165 178.163 176.000 -0.003 0.000 0.977 724 Q CA 1.947 57.746 55.803 -0.007 0.000 0.850 724 Q CB -0.147 28.589 28.738 -0.002 0.000 0.901 724 Q HN 0.513 nan 8.270 nan 0.000 0.429 725 T N 0.428 114.980 114.554 -0.003 0.000 2.708 725 T HA -0.147 4.191 4.350 -0.021 0.000 0.266 725 T C 1.747 176.442 174.700 -0.008 0.000 1.037 725 T CA 1.161 63.260 62.100 -0.002 0.000 1.146 725 T CB -0.138 68.729 68.868 -0.002 0.000 0.865 725 T HN 0.191 nan 8.240 nan 0.000 0.435 726 R N 0.166 120.658 120.500 -0.013 0.000 2.115 726 R HA 0.122 4.450 4.340 -0.021 0.000 0.230 726 R C 2.372 178.656 176.300 -0.026 0.000 1.111 726 R CA 0.675 56.763 56.100 -0.020 0.000 0.976 726 R CB -0.363 29.924 30.300 -0.021 0.000 0.870 726 R HN 0.317 nan 8.270 nan 0.000 0.445 727 L N -0.169 121.040 121.223 -0.024 0.000 2.056 727 L HA -0.049 4.278 4.340 -0.021 0.000 0.207 727 L C 2.204 179.066 176.870 -0.014 0.000 1.078 727 L CA 1.714 56.536 54.840 -0.030 0.000 0.749 727 L CB -0.311 41.729 42.059 -0.031 0.000 0.901 727 L HN 0.159 nan 8.230 nan 0.000 0.433 728 A N -1.264 121.558 122.820 0.002 0.000 1.902 728 A HA -0.235 4.073 4.320 -0.021 0.000 0.217 728 A C 2.489 180.083 177.584 0.017 0.000 1.181 728 A CA 1.916 53.966 52.037 0.021 0.000 0.623 728 A CB -1.097 17.918 19.000 0.026 0.000 0.818 728 A HN 0.517 nan 8.150 nan 0.000 0.443 729 S N -0.478 115.221 115.700 -0.000 0.000 2.370 729 S HA -0.085 4.372 4.470 -0.021 0.000 0.226 729 S C 2.152 176.740 174.600 -0.019 0.000 1.033 729 S CA 1.651 59.845 58.200 -0.009 0.000 1.011 729 S CB -0.447 62.741 63.200 -0.019 0.000 0.852 729 S HN 0.819 nan 8.310 nan 0.000 0.457 730 A N 0.406 123.205 122.820 -0.036 0.000 1.969 730 A HA 0.021 4.329 4.320 -0.021 0.000 0.218 730 A C 2.366 179.904 177.584 -0.077 0.000 1.169 730 A CA 1.842 53.841 52.037 -0.064 0.000 0.635 730 A CB -0.866 18.084 19.000 -0.083 0.000 0.810 730 A HN 0.558 nan 8.150 nan 0.000 0.445 731 S N -0.568 115.108 115.700 -0.041 0.000 2.355 731 S HA -0.140 4.317 4.470 -0.021 0.000 0.222 731 S C 2.072 176.716 174.600 0.073 0.000 1.031 731 S CA 1.307 59.520 58.200 0.021 0.000 0.993 731 S CB -0.309 62.973 63.200 0.137 0.000 0.859 731 S HN 0.612 nan 8.310 nan 0.000 0.453 732 R N 0.809 121.342 120.500 0.056 0.000 2.094 732 R HA -0.164 4.164 4.340 -0.021 0.000 0.239 732 R C 2.635 178.948 176.300 0.021 0.000 1.137 732 R CA 1.741 57.874 56.100 0.056 0.000 0.943 732 R CB -0.337 30.005 30.300 0.070 0.000 0.850 732 R HN 0.226 nan 8.270 nan 0.000 0.433 733 Q N -0.019 119.777 119.800 -0.007 0.000 2.124 733 Q HA -0.071 4.257 4.340 -0.021 0.000 0.202 733 Q C 1.772 177.738 176.000 -0.058 0.000 0.977 733 Q CA 1.944 57.726 55.803 -0.035 0.000 0.850 733 Q CB -0.227 28.485 28.738 -0.043 0.000 0.901 733 Q HN 0.404 nan 8.270 nan 0.000 0.429 734 A N 0.699 123.480 122.820 -0.066 0.000 1.877 734 A HA -0.237 4.070 4.320 -0.021 0.000 0.216 734 A C 2.059 179.636 177.584 -0.012 0.000 1.186 734 A CA 1.920 53.905 52.037 -0.087 0.000 0.620 734 A CB -0.653 18.228 19.000 -0.198 0.000 0.822 734 A HN 0.428 nan 8.150 nan 0.000 0.443 735 K N -0.569 119.858 120.400 0.046 0.000 2.057 735 K HA -0.108 4.200 4.320 -0.021 0.000 0.206 735 K C 2.322 178.887 176.600 -0.059 0.000 1.050 735 K CA 1.611 57.931 56.287 0.055 0.000 0.935 735 K CB -0.278 32.264 32.500 0.070 0.000 0.715 735 K HN 0.387 nan 8.250 nan 0.000 0.439 736 S N 0.042 115.694 115.700 -0.081 0.000 2.356 736 S HA -0.109 4.348 4.470 -0.021 0.000 0.223 736 S C 1.926 176.453 174.600 -0.121 0.000 1.032 736 S CA 1.851 59.971 58.200 -0.134 0.000 1.005 736 S CB -0.298 62.868 63.200 -0.057 0.000 0.867 736 S HN 0.448 nan 8.310 nan 0.000 0.449 737 S N 0.432 116.064 115.700 -0.112 0.000 2.355 737 S HA -0.102 4.356 4.470 -0.021 0.000 0.222 737 S C 2.135 176.709 174.600 -0.043 0.000 1.031 737 S CA 1.309 59.434 58.200 -0.124 0.000 0.993 737 S CB -0.787 62.335 63.200 -0.130 0.000 0.859 737 S HN 0.715 nan 8.310 nan 0.000 0.453 738 C N 1.567 120.873 119.300 0.010 0.000 2.446 738 C HA 0.034 4.482 4.460 -0.021 0.000 0.277 738 C C 2.955 177.992 174.990 0.078 0.000 1.275 738 C CA 0.387 59.461 59.018 0.093 0.000 1.727 738 C CB -1.783 26.080 27.740 0.205 0.000 2.010 738 C HN 0.725 nan 8.230 nan 0.000 0.486 739 G N 0.625 109.439 108.800 0.022 0.000 2.514 739 G HA2 -0.249 3.699 3.960 -0.021 0.000 0.217 739 G HA3 -0.249 3.699 3.960 -0.021 0.000 0.217 739 G C 1.498 176.515 174.900 0.196 0.000 1.198 739 G CA 1.180 46.297 45.100 0.028 0.000 0.780 739 G HN 0.425 nan 8.290 nan 0.000 0.565 740 L N 1.599 122.913 121.223 0.151 0.000 2.013 740 L HA 0.006 4.334 4.340 -0.021 0.000 0.212 740 L C 3.153 180.113 176.870 0.150 0.000 1.073 740 L CA 2.305 57.296 54.840 0.252 0.000 0.753 740 L CB -0.960 41.209 42.059 0.184 0.000 0.890 740 L HN 0.287 nan 8.230 nan 0.000 0.432 741 A N -1.071 121.793 122.820 0.074 0.000 1.917 741 A HA -0.287 4.020 4.320 -0.021 0.000 0.219 741 A C 2.156 179.781 177.584 0.068 0.000 1.182 741 A CA 2.136 54.202 52.037 0.049 0.000 0.633 741 A CB -0.931 18.085 19.000 0.026 0.000 0.819 741 A HN 0.604 nan 8.150 nan 0.000 0.448 742 D N -0.521 119.930 120.400 0.086 0.000 2.084 742 D HA -0.136 4.492 4.640 -0.021 0.000 0.194 742 D C 1.871 178.213 176.300 0.070 0.000 0.990 742 D CA 1.287 55.330 54.000 0.072 0.000 0.826 742 D CB -0.073 40.776 40.800 0.083 0.000 0.971 742 D HN 0.189 nan 8.370 nan 0.000 0.453 743 K N 0.830 121.296 120.400 0.110 0.000 2.009 743 K HA -0.058 4.250 4.320 -0.021 0.000 0.210 743 K C 2.307 178.915 176.600 0.013 0.000 1.049 743 K CA 0.608 56.926 56.287 0.052 0.000 0.929 743 K CB -0.897 31.637 32.500 0.056 0.000 0.714 743 K HN 0.006 nan 8.250 nan 0.000 0.440 744 S N 1.351 117.085 115.700 0.056 0.000 2.370 744 S HA -0.175 4.282 4.470 -0.021 0.000 0.226 744 S C 1.949 176.583 174.600 0.056 0.000 1.033 744 S CA 1.587 59.801 58.200 0.022 0.000 1.011 744 S CB -0.206 63.047 63.200 0.089 0.000 0.852 744 S HN 0.225 nan 8.310 nan 0.000 0.457 745 M N 1.660 121.314 119.600 0.091 0.000 2.175 745 M HA 0.024 4.492 4.480 -0.021 0.000 0.264 745 M C 1.765 178.083 176.300 0.029 0.000 1.063 745 M CA 1.473 56.838 55.300 0.109 0.000 1.119 745 M CB -0.311 32.313 32.600 0.040 0.000 1.377 745 M HN 0.037 nan 8.290 nan 0.000 0.415 746 K N -0.025 120.360 120.400 -0.025 0.000 2.057 746 K HA -0.039 4.268 4.320 -0.021 0.000 0.206 746 K C 1.699 178.175 176.600 -0.207 0.000 1.050 746 K CA 1.523 57.768 56.287 -0.069 0.000 0.935 746 K CB -0.565 31.912 32.500 -0.038 0.000 0.715 746 K HN 0.454 nan 8.250 nan 0.000 0.439 747 L N -0.422 120.612 121.223 -0.315 0.000 2.042 747 L HA -0.189 4.139 4.340 -0.021 0.000 0.210 747 L C 2.179 178.657 176.870 -0.653 0.000 1.076 747 L CA 1.363 55.805 54.840 -0.664 0.000 0.749 747 L CB -0.546 41.156 42.059 -0.595 0.000 0.893 747 L HN 0.123 nan 8.230 nan 0.000 0.432 748 F N 0.381 120.119 119.950 -0.354 0.000 2.161 748 F HA -0.247 4.267 4.527 -0.022 0.000 0.300 748 F C 2.690 178.242 175.800 -0.413 0.000 1.089 748 F CA 1.859 59.622 58.000 -0.394 0.000 1.282 748 F CB -0.406 38.380 39.000 -0.358 0.000 1.010 748 F HN 0.198 nan 8.300 nan 0.000 0.485 749 E N 1.009 121.141 120.200 -0.113 0.000 2.028 749 E HA -0.220 4.117 4.350 -0.021 0.000 0.191 749 E C 2.285 178.832 176.600 -0.088 0.000 0.988 749 E CA 1.861 58.203 56.400 -0.096 0.000 0.799 749 E CB -0.336 29.341 29.700 -0.038 0.000 0.755 749 E HN 0.550 nan 8.360 nan 0.000 0.447 750 I N -1.443 119.037 120.570 -0.149 0.000 2.353 750 I HA -0.181 3.977 4.170 -0.021 0.000 0.248 750 I C 1.818 177.932 176.117 -0.005 0.000 1.119 750 I CA 0.879 62.139 61.300 -0.066 0.000 1.417 750 I CB -0.548 37.391 38.000 -0.100 0.000 1.078 750 I HN 0.013 nan 8.210 nan 0.000 0.421 751 Y N 2.570 122.769 120.300 -0.169 0.000 2.220 751 Y HA -0.129 4.409 4.550 -0.021 0.000 0.291 751 Y C 3.292 179.276 175.900 0.139 0.000 1.129 751 Y CA 0.898 58.995 58.100 -0.005 0.000 1.161 751 Y CB -1.323 37.258 38.460 0.201 0.000 0.997 751 Y HN 0.424 nan 8.280 nan 0.000 0.522 752 S N -0.215 115.518 115.700 0.055 0.000 2.447 752 S HA -0.156 4.302 4.470 -0.021 0.000 0.233 752 S C 1.975 176.602 174.600 0.045 0.000 1.006 752 S CA 1.120 59.270 58.200 -0.084 0.000 0.957 752 S CB -0.204 62.728 63.200 -0.447 0.000 0.773 752 S HN 0.167 nan 8.310 nan 0.000 0.507 753 K N 1.948 122.395 120.400 0.078 0.000 2.057 753 K HA -0.070 4.238 4.320 -0.021 0.000 0.207 753 K C 1.208 177.895 176.600 0.145 0.000 1.049 753 K CA 2.005 58.354 56.287 0.103 0.000 0.931 753 K CB -0.494 32.087 32.500 0.135 0.000 0.714 753 K HN 0.428 nan 8.250 nan 0.000 0.440 754 D N -0.773 119.757 120.400 0.217 0.000 2.379 754 D HA 0.108 4.735 4.640 -0.021 0.000 0.218 754 D C 0.597 176.996 176.300 0.166 0.000 1.006 754 D CA 0.664 54.785 54.000 0.203 0.000 0.893 754 D CB 0.463 41.434 40.800 0.284 0.000 1.019 754 D HN 0.421 nan 8.370 nan 0.000 0.503 755 I N -1.223 119.477 120.570 0.217 0.000 2.976 755 I HA 0.299 4.457 4.170 -0.021 0.000 0.328 755 I C -2.040 174.229 176.117 0.254 0.000 1.396 755 I CA -1.635 59.764 61.300 0.165 0.000 0.869 755 I CB 1.451 39.490 38.000 0.065 0.000 2.156 755 I HN -0.330 nan 8.210 nan 0.000 0.595 756 P HA -0.244 nan 4.420 nan 0.000 0.217 756 P C 1.507 178.935 177.300 0.214 0.000 1.148 756 P CA 1.919 65.146 63.100 0.212 0.000 0.828 756 P CB 0.381 32.125 31.700 0.073 0.000 0.783 757 A N 0.239 123.127 122.820 0.113 0.000 2.119 757 A HA 0.150 4.457 4.320 -0.021 0.000 0.217 757 A C 2.380 179.971 177.584 0.012 0.000 1.153 757 A CA 1.229 53.300 52.037 0.057 0.000 0.692 757 A CB -1.193 17.820 19.000 0.020 0.000 0.799 757 A HN 0.224 nan 8.150 nan 0.000 0.458 758 A N -1.508 121.284 122.820 -0.047 0.000 2.125 758 A HA 0.110 4.417 4.320 -0.021 0.000 0.219 758 A C 1.332 178.708 177.584 -0.347 0.000 1.156 758 A CA 0.997 52.896 52.037 -0.231 0.000 0.671 758 A CB -0.584 18.192 19.000 -0.373 0.000 0.794 758 A HN 0.477 nan 8.150 nan 0.000 0.459 759 F N -1.560 118.435 119.950 0.075 0.000 2.682 759 F HA 0.174 4.690 4.527 -0.017 0.000 0.308 759 F C 1.406 177.216 175.800 0.017 0.000 1.093 759 F CA 0.399 58.434 58.000 0.059 0.000 1.244 759 F CB 1.005 40.026 39.000 0.034 0.000 1.052 759 F HN 0.101 nan 8.300 nan 0.000 0.573 760 V N -2.958 117.027 119.914 0.119 0.000 3.253 760 V HA 0.280 4.387 4.120 -0.021 0.000 0.320 760 V C 0.642 176.750 176.094 0.023 0.000 1.442 760 V CA 0.069 62.415 62.300 0.078 0.000 1.097 760 V CB -0.957 30.923 31.823 0.095 0.000 1.008 760 V HN 0.147 nan 8.190 nan 0.000 0.463 761 T N -1.848 112.717 114.554 0.018 0.000 2.868 761 T HA 0.412 4.750 4.350 -0.021 0.000 0.292 761 T C -1.250 173.465 174.700 0.026 0.000 1.028 761 T CA -0.834 61.278 62.100 0.019 0.000 1.059 761 T CB 0.969 69.847 68.868 0.016 0.000 0.991 761 T HN 0.147 nan 8.240 nan 0.000 0.531 762 P HA -0.186 nan 4.420 nan 0.000 0.216 762 P C 1.416 178.820 177.300 0.173 0.000 1.154 762 P CA 1.602 64.797 63.100 0.160 0.000 0.865 762 P CB -0.045 31.763 31.700 0.180 0.000 0.789 763 E N -1.473 118.793 120.200 0.109 0.000 2.427 763 E HA -0.057 4.281 4.350 -0.021 0.000 0.196 763 E C 1.474 178.128 176.600 0.091 0.000 1.028 763 E CA 0.659 57.121 56.400 0.103 0.000 0.864 763 E CB -0.334 29.405 29.700 0.066 0.000 0.813 763 E HN 0.163 nan 8.360 nan 0.000 0.514 764 I N 0.466 121.079 120.570 0.071 0.000 3.300 764 I HA -0.035 4.123 4.170 -0.021 0.000 0.279 764 I C 2.333 178.486 176.117 0.059 0.000 1.172 764 I CA 0.254 61.598 61.300 0.073 0.000 1.431 764 I CB -0.315 37.729 38.000 0.074 0.000 1.240 764 I HN 0.115 nan 8.210 nan 0.000 0.453 765 V N 1.085 120.982 119.914 -0.029 0.000 2.358 765 V HA -0.298 3.809 4.120 -0.021 0.000 0.246 765 V C 2.462 178.433 176.094 -0.206 0.000 1.047 765 V CA 2.003 64.233 62.300 -0.116 0.000 1.035 765 V CB -0.414 31.262 31.823 -0.246 0.000 0.658 765 V HN 0.275 nan 8.190 nan 0.000 0.452 766 Y N 0.354 120.697 120.300 0.072 0.000 2.200 766 Y HA -0.050 4.486 4.550 -0.023 0.000 0.290 766 Y C 2.740 178.661 175.900 0.035 0.000 1.137 766 Y CA 1.384 59.506 58.100 0.037 0.000 1.163 766 Y CB -0.614 37.856 38.460 0.016 0.000 0.988 766 Y HN 0.119 nan 8.280 nan 0.000 0.518 767 R N -0.078 120.525 120.500 0.172 0.000 2.096 767 R HA -0.128 4.199 4.340 -0.021 0.000 0.235 767 R C 2.231 178.565 176.300 0.056 0.000 1.127 767 R CA 0.881 57.042 56.100 0.100 0.000 0.968 767 R CB -1.184 29.166 30.300 0.084 0.000 0.861 767 R HN 0.349 nan 8.270 nan 0.000 0.440 768 L N 0.919 122.172 121.223 0.050 0.000 2.017 768 L HA -0.069 4.259 4.340 -0.021 0.000 0.208 768 L C 2.290 179.178 176.870 0.030 0.000 1.073 768 L CA 2.059 56.896 54.840 -0.005 0.000 0.745 768 L CB -0.881 41.198 42.059 0.033 0.000 0.894 768 L HN 0.162 nan 8.230 nan 0.000 0.432 769 A N -1.606 121.267 122.820 0.088 0.000 1.908 769 A HA -0.276 4.032 4.320 -0.021 0.000 0.218 769 A C 2.548 180.199 177.584 0.111 0.000 1.181 769 A CA 2.215 54.298 52.037 0.076 0.000 0.627 769 A CB -1.242 17.746 19.000 -0.020 0.000 0.818 769 A HN 0.554 nan 8.150 nan 0.000 0.445 770 S N -1.246 114.512 115.700 0.096 0.000 2.356 770 S HA -0.176 4.281 4.470 -0.021 0.000 0.223 770 S C 2.103 176.763 174.600 0.100 0.000 1.032 770 S CA 1.774 60.033 58.200 0.099 0.000 1.005 770 S CB -0.390 62.851 63.200 0.068 0.000 0.867 770 S HN 0.519 nan 8.310 nan 0.000 0.449 771 M N 0.883 120.514 119.600 0.051 0.000 2.132 771 M HA -0.012 4.456 4.480 -0.021 0.000 0.263 771 M C 1.897 178.229 176.300 0.054 0.000 1.065 771 M CA 1.499 56.825 55.300 0.044 0.000 1.122 771 M CB -0.920 31.658 32.600 -0.037 0.000 1.365 771 M HN 0.414 nan 8.290 nan 0.000 0.411 772 L N 0.335 121.551 121.223 -0.011 0.000 2.056 772 L HA -0.241 4.086 4.340 -0.021 0.000 0.207 772 L C 2.097 179.067 176.870 0.166 0.000 1.078 772 L CA 1.084 55.892 54.840 -0.053 0.000 0.749 772 L CB -1.032 40.840 42.059 -0.311 0.000 0.901 772 L HN 0.296 nan 8.230 nan 0.000 0.433 773 N N -0.583 118.279 118.700 0.269 0.000 2.120 773 N HA -0.235 4.492 4.740 -0.021 0.000 0.188 773 N C 1.710 177.335 175.510 0.192 0.000 1.024 773 N CA 1.233 54.455 53.050 0.287 0.000 0.852 773 N CB -0.489 38.181 38.487 0.305 0.000 1.003 773 N HN 0.297 nan 8.380 nan 0.000 0.424 774 Y N 1.806 122.144 120.300 0.062 0.000 2.163 774 Y HA -0.020 4.518 4.550 -0.020 0.000 0.288 774 Y C 1.980 177.891 175.900 0.018 0.000 1.136 774 Y CA 1.406 59.526 58.100 0.034 0.000 1.147 774 Y CB -0.415 38.064 38.460 0.031 0.000 0.987 774 Y HN 0.072 nan 8.280 nan 0.000 0.509 775 N N 0.262 118.998 118.700 0.059 0.000 2.166 775 N HA -0.175 4.553 4.740 -0.021 0.000 0.186 775 N C 1.876 177.343 175.510 -0.072 0.000 1.019 775 N CA 1.324 54.347 53.050 -0.045 0.000 0.856 775 N CB -0.398 38.097 38.487 0.013 0.000 0.993 775 N HN 0.368 nan 8.380 nan 0.000 0.426 776 L N 2.211 123.424 121.223 -0.016 0.000 2.042 776 L HA -0.141 4.186 4.340 -0.021 0.000 0.210 776 L C 2.015 178.810 176.870 -0.124 0.000 1.076 776 L CA 1.715 56.521 54.840 -0.057 0.000 0.749 776 L CB -0.499 41.524 42.059 -0.060 0.000 0.893 776 L HN 0.124 nan 8.230 nan 0.000 0.432 777 E N -1.156 118.961 120.200 -0.138 0.000 2.110 777 E HA -0.178 4.160 4.350 -0.021 0.000 0.193 777 E C 2.113 178.607 176.600 -0.177 0.000 0.988 777 E CA 1.316 57.621 56.400 -0.159 0.000 0.804 777 E CB -0.024 29.585 29.700 -0.153 0.000 0.745 777 E HN 0.544 nan 8.360 nan 0.000 0.458 778 S N 0.930 116.491 115.700 -0.232 0.000 2.356 778 S HA -0.119 4.338 4.470 -0.021 0.000 0.223 778 S C 2.025 176.571 174.600 -0.091 0.000 1.032 778 S CA 0.804 58.899 58.200 -0.175 0.000 1.005 778 S CB -0.171 62.916 63.200 -0.188 0.000 0.867 778 S HN 0.185 nan 8.310 nan 0.000 0.449 779 L N 1.345 122.519 121.223 -0.081 0.000 2.141 779 L HA -0.021 4.307 4.340 -0.021 0.000 0.209 779 L C 2.085 178.921 176.870 -0.058 0.000 1.094 779 L CA 0.864 55.673 54.840 -0.052 0.000 0.763 779 L CB -0.439 41.589 42.059 -0.052 0.000 0.908 779 L HN 0.349 nan 8.230 nan 0.000 0.437 780 V N -4.090 115.775 119.914 -0.081 0.000 3.542 780 V HA 0.471 4.579 4.120 -0.021 0.000 0.296 780 V C 0.755 176.807 176.094 -0.070 0.000 1.364 780 V CA 0.181 62.434 62.300 -0.078 0.000 1.118 780 V CB -0.376 31.383 31.823 -0.106 0.000 0.972 780 V HN 0.166 nan 8.190 nan 0.000 0.430 781 G N 0.274 109.032 108.800 -0.069 0.000 3.251 781 G HA2 0.595 4.543 3.960 -0.021 0.000 0.248 781 G HA3 0.595 4.543 3.960 -0.021 0.000 0.248 781 G C -2.272 172.600 174.900 -0.047 0.000 1.320 781 G CA -0.647 44.416 45.100 -0.061 0.000 0.982 781 G HN 0.114 nan 8.290 nan 0.000 0.575 782 P HA 0.077 nan 4.420 nan 0.000 0.226 782 P C 1.413 178.690 177.300 -0.038 0.000 1.153 782 P CA 0.857 63.935 63.100 -0.037 0.000 0.777 782 P CB 0.246 31.924 31.700 -0.037 0.000 0.794 783 K N -0.775 119.595 120.400 -0.050 0.000 2.032 783 K HA -0.129 4.179 4.320 -0.021 0.000 0.209 783 K C 1.967 178.556 176.600 -0.019 0.000 1.048 783 K CA 1.726 57.982 56.287 -0.051 0.000 0.927 783 K CB -0.774 31.676 32.500 -0.083 0.000 0.712 783 K HN 0.181 nan 8.250 nan 0.000 0.441 784 C N -0.372 118.937 119.300 0.015 0.000 2.507 784 C HA 0.080 4.527 4.460 -0.021 0.000 0.280 784 C C 2.710 177.750 174.990 0.083 0.000 1.345 784 C CA 0.399 59.482 59.018 0.108 0.000 1.736 784 C CB -0.841 26.978 27.740 0.131 0.000 2.060 784 C HN 0.694 nan 8.230 nan 0.000 0.498 785 G N 0.231 109.046 108.800 0.025 0.000 2.448 785 G HA2 -0.168 3.779 3.960 -0.021 0.000 0.219 785 G HA3 -0.168 3.779 3.960 -0.021 0.000 0.219 785 G C 1.413 176.315 174.900 0.003 0.000 1.127 785 G CA 0.539 45.646 45.100 0.012 0.000 0.766 785 G HN 0.682 nan 8.290 nan 0.000 0.552 786 E N -0.898 119.293 120.200 -0.015 0.000 2.479 786 E HA 0.170 4.508 4.350 -0.021 0.000 0.193 786 E C -0.118 176.446 176.600 -0.060 0.000 1.049 786 E CA -0.565 55.812 56.400 -0.038 0.000 0.870 786 E CB 0.339 30.009 29.700 -0.049 0.000 0.944 786 E HN 0.226 nan 8.360 nan 0.000 0.492 787 L N 1.891 123.090 121.223 -0.039 0.000 2.315 787 L HA 0.191 4.519 4.340 -0.021 0.000 0.283 787 L C -0.625 176.222 176.870 -0.039 0.000 1.089 787 L CA 0.024 54.814 54.840 -0.083 0.000 0.833 787 L CB 0.423 42.413 42.059 -0.116 0.000 1.170 787 L HN -0.307 nan 8.230 nan 0.000 0.442 788 K N 4.578 124.909 120.400 -0.116 0.000 2.572 788 K HA 0.556 4.864 4.320 -0.021 0.000 0.244 788 K C -1.318 175.236 176.600 -0.077 0.000 0.965 788 K CA -0.516 55.734 56.287 -0.062 0.000 0.943 788 K CB 0.961 33.420 32.500 -0.068 0.000 1.154 788 K HN 0.386 nan 8.250 nan 0.000 0.447 789 V N 0.346 120.297 119.914 0.063 0.000 2.881 789 V HA 0.672 4.780 4.120 -0.021 0.000 0.316 789 V C -0.187 176.030 176.094 0.205 0.000 1.070 789 V CA -1.177 61.246 62.300 0.205 0.000 0.976 789 V CB 1.573 33.537 31.823 0.234 0.000 1.038 789 V HN 0.341 nan 8.190 nan 0.000 0.446 790 K N 1.154 121.684 120.400 0.217 0.000 2.295 790 K HA 0.267 4.575 4.320 -0.021 0.000 0.270 790 K C 0.057 176.747 176.600 0.150 0.000 1.011 790 K CA 0.340 56.716 56.287 0.149 0.000 0.953 790 K CB -0.166 32.400 32.500 0.109 0.000 0.956 790 K HN 1.022 nan 8.250 nan 0.000 0.477 791 D N 2.679 123.125 120.400 0.076 0.000 2.971 791 D HA -0.145 4.483 4.640 -0.021 0.000 0.212 791 D C -1.525 174.793 176.300 0.029 0.000 1.243 791 D CA 0.111 54.122 54.000 0.018 0.000 0.781 791 D CB 0.177 40.943 40.800 -0.057 0.000 0.894 791 D HN 0.333 nan 8.370 nan 0.000 0.392 792 P HA -0.191 nan 4.420 nan 0.000 0.225 792 P C 1.214 178.629 177.300 0.192 0.000 1.148 792 P CA 0.821 64.120 63.100 0.331 0.000 0.779 792 P CB 0.276 32.237 31.700 0.435 0.000 0.780 793 Q N 0.093 119.917 119.800 0.039 0.000 2.167 793 Q HA -0.062 4.266 4.340 -0.021 0.000 0.202 793 Q C 2.268 178.198 176.000 -0.117 0.000 0.970 793 Q CA 1.106 56.901 55.803 -0.015 0.000 0.855 793 Q CB -1.172 27.548 28.738 -0.030 0.000 0.911 793 Q HN 0.294 nan 8.270 nan 0.000 0.438 794 S N 0.609 116.127 115.700 -0.303 0.000 2.407 794 S HA -0.163 4.294 4.470 -0.021 0.000 0.235 794 S C 0.682 174.950 174.600 -0.555 0.000 1.036 794 S CA 1.291 59.155 58.200 -0.560 0.000 1.013 794 S CB -0.220 62.364 63.200 -1.026 0.000 0.820 794 S HN 0.451 nan 8.310 nan 0.000 0.476 795 Y N 0.444 120.773 120.300 0.048 0.000 2.720 795 Y HA 0.408 4.945 4.550 -0.021 0.000 0.268 795 Y C 0.989 176.934 175.900 0.074 0.000 1.142 795 Y CA -1.150 56.975 58.100 0.042 0.000 1.193 795 Y CB -0.778 37.702 38.460 0.035 0.000 1.176 795 Y HN -0.050 nan 8.280 nan 0.000 0.542 796 S N 0.831 116.610 115.700 0.132 0.000 3.405 796 S HA -0.293 4.164 4.470 -0.021 0.000 0.378 796 S C -0.267 174.452 174.600 0.198 0.000 1.012 796 S CA 0.604 58.876 58.200 0.120 0.000 1.144 796 S CB -1.661 61.582 63.200 0.071 0.000 0.903 796 S HN 0.480 nan 8.310 nan 0.000 0.470 797 F N 3.130 123.123 119.950 0.072 0.000 2.303 797 F HA 0.410 4.924 4.527 -0.021 0.000 0.368 797 F C 0.020 175.844 175.800 0.040 0.000 1.105 797 F CA -1.345 56.694 58.000 0.064 0.000 1.153 797 F CB 0.305 39.365 39.000 0.101 0.000 1.362 797 F HN 0.083 nan 8.300 nan 0.000 0.511 798 N N 8.598 127.035 118.700 -0.439 0.000 2.804 798 N HA 0.164 4.892 4.740 -0.021 0.000 0.251 798 N C -2.319 172.895 175.510 -0.494 0.000 1.250 798 N CA -1.194 51.605 53.050 -0.418 0.000 0.820 798 N CB 1.237 39.617 38.487 -0.178 0.000 1.156 798 N HN 0.354 nan 8.380 nan 0.000 0.512 799 P HA -0.115 nan 4.420 nan 0.000 0.220 799 P C 1.111 178.264 177.300 -0.245 0.000 1.148 799 P CA 1.001 63.805 63.100 -0.493 0.000 0.803 799 P CB 0.629 32.039 31.700 -0.484 0.000 0.782 800 K N -0.232 120.036 120.400 -0.220 0.000 2.057 800 K HA -0.101 4.207 4.320 -0.021 0.000 0.206 800 K C 1.653 178.185 176.600 -0.113 0.000 1.050 800 K CA 1.289 57.495 56.287 -0.135 0.000 0.935 800 K CB -0.359 32.071 32.500 -0.117 0.000 0.715 800 K HN 0.102 nan 8.250 nan 0.000 0.439 801 D N 1.045 121.373 120.400 -0.120 0.000 2.149 801 D HA -0.118 4.509 4.640 -0.021 0.000 0.201 801 D C 1.836 178.095 176.300 -0.067 0.000 0.972 801 D CA 0.580 54.527 54.000 -0.088 0.000 0.835 801 D CB -0.099 40.657 40.800 -0.074 0.000 0.966 801 D HN -0.001 nan 8.370 nan 0.000 0.476 802 L N 0.624 121.801 121.223 -0.078 0.000 2.093 802 L HA -0.078 4.249 4.340 -0.021 0.000 0.208 802 L C 2.037 178.889 176.870 -0.029 0.000 1.085 802 L CA 1.142 55.954 54.840 -0.047 0.000 0.755 802 L CB -0.554 41.473 42.059 -0.054 0.000 0.904 802 L HN -0.005 nan 8.230 nan 0.000 0.435 803 L N -0.352 120.847 121.223 -0.041 0.000 2.056 803 L HA -0.176 4.151 4.340 -0.021 0.000 0.207 803 L C 2.515 179.404 176.870 0.031 0.000 1.078 803 L CA 1.975 56.811 54.840 -0.007 0.000 0.749 803 L CB -0.855 41.188 42.059 -0.026 0.000 0.901 803 L HN 0.274 nan 8.230 nan 0.000 0.433 804 K N 0.285 120.677 120.400 -0.013 0.000 2.032 804 K HA -0.096 4.212 4.320 -0.021 0.000 0.209 804 K C 2.007 178.623 176.600 0.028 0.000 1.048 804 K CA 1.961 58.226 56.287 -0.036 0.000 0.927 804 K CB -0.832 31.593 32.500 -0.125 0.000 0.712 804 K HN 0.402 nan 8.250 nan 0.000 0.441 805 A N 0.640 123.465 122.820 0.009 0.000 1.902 805 A HA -0.096 4.212 4.320 -0.021 0.000 0.217 805 A C 2.168 179.777 177.584 0.041 0.000 1.181 805 A CA 1.645 53.696 52.037 0.023 0.000 0.623 805 A CB -0.789 18.212 19.000 0.000 0.000 0.818 805 A HN 0.399 nan 8.150 nan 0.000 0.443 806 L N 0.663 121.909 121.223 0.039 0.000 2.017 806 L HA -0.151 4.177 4.340 -0.021 0.000 0.208 806 L C 2.636 179.586 176.870 0.133 0.000 1.073 806 L CA 3.160 58.012 54.840 0.020 0.000 0.745 806 L CB -1.170 40.911 42.059 0.038 0.000 0.894 806 L HN 0.537 nan 8.230 nan 0.000 0.432 807 T N -4.965 109.754 114.554 0.275 0.000 2.915 807 T HA -0.129 4.209 4.350 -0.021 0.000 0.269 807 T C 1.690 176.594 174.700 0.340 0.000 1.071 807 T CA 1.527 63.885 62.100 0.430 0.000 1.132 807 T CB -1.123 68.005 68.868 0.433 0.000 0.878 807 T HN 0.408 nan 8.240 nan 0.000 0.479 808 T N 1.866 116.619 114.554 0.331 0.000 2.821 808 T HA -0.000 4.337 4.350 -0.021 0.000 0.267 808 T C 2.137 176.851 174.700 0.024 0.000 1.046 808 T CA 0.955 63.205 62.100 0.251 0.000 1.139 808 T CB -0.516 68.514 68.868 0.270 0.000 0.871 808 T HN 0.270 nan 8.240 nan 0.000 0.454 809 V N 0.518 120.392 119.914 -0.066 0.000 2.295 809 V HA -0.205 3.902 4.120 -0.021 0.000 0.246 809 V C 2.111 177.995 176.094 -0.351 0.000 1.049 809 V CA 1.597 63.743 62.300 -0.256 0.000 1.024 809 V CB -0.880 30.725 31.823 -0.363 0.000 0.648 809 V HN 0.435 nan 8.190 nan 0.000 0.447 810 Y N -0.046 120.110 120.300 -0.241 0.000 2.102 810 Y HA -0.269 4.270 4.550 -0.019 0.000 0.280 810 Y C 2.328 177.880 175.900 -0.579 0.000 1.178 810 Y CA 2.045 59.893 58.100 -0.420 0.000 1.146 810 Y CB -0.677 37.570 38.460 -0.355 0.000 0.968 810 Y HN 0.158 nan 8.280 nan 0.000 0.504 811 I N -0.124 120.324 120.570 -0.202 0.000 2.179 811 I HA -0.351 3.807 4.170 -0.021 0.000 0.242 811 I C 1.850 177.870 176.117 -0.162 0.000 1.088 811 I CA 1.449 62.627 61.300 -0.203 0.000 1.357 811 I CB -0.425 37.445 38.000 -0.217 0.000 1.051 811 I HN 0.251 nan 8.210 nan 0.000 0.409 812 N N 0.662 119.264 118.700 -0.162 0.000 2.364 812 N HA -0.088 4.639 4.740 -0.021 0.000 0.183 812 N C 1.504 176.899 175.510 -0.191 0.000 1.022 812 N CA 1.141 54.109 53.050 -0.137 0.000 0.883 812 N CB -0.141 38.269 38.487 -0.128 0.000 0.965 812 N HN 0.379 nan 8.380 nan 0.000 0.438 813 L N 0.194 121.202 121.223 -0.359 0.000 2.640 813 L HA 0.158 4.486 4.340 -0.021 0.000 0.230 813 L C 1.708 178.492 176.870 -0.143 0.000 1.123 813 L CA 0.008 54.583 54.840 -0.441 0.000 0.900 813 L CB -0.054 41.281 42.059 -1.206 0.000 1.146 813 L HN 0.065 nan 8.230 nan 0.000 0.484 814 S N -0.695 114.974 115.700 -0.052 0.000 2.469 814 S HA -0.156 4.301 4.470 -0.021 0.000 0.238 814 S C 1.306 176.041 174.600 0.225 0.000 0.998 814 S CA 0.873 59.203 58.200 0.215 0.000 0.957 814 S CB -0.169 63.138 63.200 0.178 0.000 0.764 814 S HN 0.500 nan 8.310 nan 0.000 0.514 815 E N 0.786 121.054 120.200 0.113 0.000 2.451 815 E HA 0.160 4.498 4.350 -0.021 0.000 0.194 815 E C -0.424 176.234 176.600 0.097 0.000 1.027 815 E CA -0.136 56.323 56.400 0.099 0.000 0.914 815 E CB 0.289 30.024 29.700 0.060 0.000 1.054 815 E HN 0.462 nan 8.360 nan 0.000 0.461 816 Q N 0.232 120.111 119.800 0.132 0.000 2.400 816 Q HA 0.119 4.447 4.340 -0.021 0.000 0.255 816 Q C 0.810 176.910 176.000 0.166 0.000 1.008 816 Q CA -0.155 55.723 55.803 0.126 0.000 0.841 816 Q CB 1.651 30.459 28.738 0.117 0.000 1.220 816 Q HN 0.174 nan 8.270 nan 0.000 0.474 817 S N 1.934 117.697 115.700 0.105 0.000 2.399 817 S HA -0.214 4.244 4.470 -0.021 0.000 0.231 817 S C 1.096 175.737 174.600 0.069 0.000 1.022 817 S CA 1.301 59.548 58.200 0.078 0.000 0.983 817 S CB 0.093 63.318 63.200 0.043 0.000 0.803 817 S HN 0.511 nan 8.310 nan 0.000 0.480 818 E N 0.877 121.122 120.200 0.074 0.000 2.110 818 E HA 0.009 4.347 4.350 -0.021 0.000 0.193 818 E C 1.554 178.175 176.600 0.036 0.000 0.988 818 E CA 1.142 57.563 56.400 0.034 0.000 0.804 818 E CB -0.482 29.227 29.700 0.015 0.000 0.745 818 E HN 0.687 nan 8.360 nan 0.000 0.458 819 F N 0.588 120.525 119.950 -0.022 0.000 2.163 819 F HA -0.017 4.497 4.527 -0.022 0.000 0.297 819 F C 1.808 177.653 175.800 0.075 0.000 1.094 819 F CA 1.014 59.021 58.000 0.011 0.000 1.290 819 F CB -0.026 39.002 39.000 0.047 0.000 1.017 819 F HN -0.078 nan 8.300 nan 0.000 0.483 820 I N -0.415 120.223 120.570 0.113 0.000 2.264 820 I HA -0.320 3.838 4.170 -0.021 0.000 0.248 820 I C 2.710 178.710 176.117 -0.195 0.000 1.111 820 I CA 1.601 62.879 61.300 -0.036 0.000 1.382 820 I CB -0.621 37.385 38.000 0.011 0.000 1.060 820 I HN 0.289 nan 8.210 nan 0.000 0.418 821 S N 0.672 116.301 115.700 -0.118 0.000 2.377 821 S HA -0.085 4.373 4.470 -0.021 0.000 0.223 821 S C 2.269 176.801 174.600 -0.114 0.000 1.030 821 S CA 0.990 59.124 58.200 -0.110 0.000 0.970 821 S CB -0.212 62.968 63.200 -0.033 0.000 0.830 821 S HN 0.398 nan 8.310 nan 0.000 0.473 822 A N 1.266 124.010 122.820 -0.126 0.000 1.883 822 A HA -0.022 4.285 4.320 -0.021 0.000 0.217 822 A C 2.398 179.894 177.584 -0.148 0.000 1.186 822 A CA 1.994 53.979 52.037 -0.088 0.000 0.624 822 A CB -1.320 17.519 19.000 -0.269 0.000 0.822 822 A HN 0.492 nan 8.150 nan 0.000 0.444 823 V N -0.275 119.437 119.914 -0.336 0.000 2.392 823 V HA -0.249 3.859 4.120 -0.021 0.000 0.249 823 V C 2.955 178.748 176.094 -0.501 0.000 1.059 823 V CA 1.966 64.079 62.300 -0.311 0.000 1.051 823 V CB -1.064 30.568 31.823 -0.318 0.000 0.658 823 V HN 0.630 nan 8.190 nan 0.000 0.455 824 A N -0.974 121.511 122.820 -0.559 0.000 2.066 824 A HA -0.110 4.197 4.320 -0.021 0.000 0.218 824 A C 2.168 179.533 177.584 -0.365 0.000 1.157 824 A CA 1.262 52.874 52.037 -0.707 0.000 0.670 824 A CB -0.233 18.471 19.000 -0.493 0.000 0.804 824 A HN 0.539 nan 8.150 nan 0.000 0.453 825 K N -0.488 119.798 120.400 -0.191 0.000 2.353 825 K HA 0.039 4.347 4.320 -0.021 0.000 0.195 825 K C -0.410 176.184 176.600 -0.010 0.000 1.031 825 K CA 0.043 56.288 56.287 -0.071 0.000 1.079 825 K CB 0.247 32.731 32.500 -0.026 0.000 0.857 825 K HN 0.328 nan 8.250 nan 0.000 0.535 826 D N 2.415 122.823 120.400 0.012 0.000 2.398 826 D HA -0.061 4.566 4.640 -0.021 0.000 0.250 826 D C 1.296 177.668 176.300 0.121 0.000 1.287 826 D CA 0.080 54.129 54.000 0.082 0.000 0.992 826 D CB 0.602 41.476 40.800 0.123 0.000 1.071 826 D HN 0.138 nan 8.370 nan 0.000 0.514 827 E N 3.971 124.218 120.200 0.078 0.000 2.268 827 E HA -0.224 4.113 4.350 -0.021 0.000 0.195 827 E C 1.561 178.214 176.600 0.088 0.000 0.995 827 E CA 0.642 57.091 56.400 0.082 0.000 0.836 827 E CB -0.071 29.652 29.700 0.038 0.000 0.763 827 E HN 0.471 nan 8.360 nan 0.000 0.491 828 R N 0.371 120.922 120.500 0.084 0.000 2.066 828 R HA -0.004 4.323 4.340 -0.021 0.000 0.232 828 R C 1.990 178.355 176.300 0.108 0.000 1.131 828 R CA 1.963 58.112 56.100 0.081 0.000 0.955 828 R CB 0.131 30.472 30.300 0.068 0.000 0.851 828 R HN 0.163 nan 8.270 nan 0.000 0.432 829 S N -0.783 115.003 115.700 0.145 0.000 2.566 829 S HA 0.089 4.546 4.470 -0.021 0.000 0.234 829 S C 0.091 174.772 174.600 0.134 0.000 1.075 829 S CA -0.576 57.710 58.200 0.143 0.000 0.926 829 S CB 0.050 63.360 63.200 0.183 0.000 0.811 829 S HN 0.222 nan 8.310 nan 0.000 0.518 830 F N 4.184 124.183 119.950 0.081 0.000 2.629 830 F HA 0.284 4.799 4.527 -0.021 0.000 0.377 830 F C 0.120 175.960 175.800 0.066 0.000 1.101 830 F CA 0.211 58.267 58.000 0.094 0.000 1.301 830 F CB 0.160 39.206 39.000 0.076 0.000 1.062 830 F HN 0.151 nan 8.300 nan 0.000 0.583 831 N N 4.384 122.447 118.700 -1.062 0.000 2.999 831 N HA 0.102 4.830 4.740 -0.021 0.000 0.244 831 N C 0.172 175.211 175.510 -0.784 0.000 1.106 831 N CA -0.577 52.023 53.050 -0.750 0.000 1.018 831 N CB 0.750 39.056 38.487 -0.302 0.000 1.600 831 N HN 0.709 nan 8.380 nan 0.000 0.621 832 R N 2.824 122.922 120.500 -0.669 0.000 2.119 832 R HA -0.176 4.151 4.340 -0.021 0.000 0.246 832 R C 1.315 177.589 176.300 -0.044 0.000 1.146 832 R CA 1.883 57.840 56.100 -0.238 0.000 0.962 832 R CB -0.235 29.998 30.300 -0.112 0.000 0.863 832 R HN 0.743 nan 8.270 nan 0.000 0.442 833 N N 0.598 119.235 118.700 -0.106 0.000 2.192 833 N HA -0.185 4.543 4.740 -0.021 0.000 0.188 833 N C 1.798 177.260 175.510 -0.080 0.000 1.013 833 N CA 1.198 54.208 53.050 -0.067 0.000 0.863 833 N CB -0.050 38.391 38.487 -0.076 0.000 0.990 833 N HN 0.306 nan 8.380 nan 0.000 0.430 834 L N -0.352 120.777 121.223 -0.157 0.000 2.129 834 L HA -0.183 4.144 4.340 -0.021 0.000 0.212 834 L C 1.785 178.462 176.870 -0.321 0.000 1.087 834 L CA 1.178 55.855 54.840 -0.271 0.000 0.757 834 L CB -0.538 41.273 42.059 -0.414 0.000 0.896 834 L HN 0.149 nan 8.230 nan 0.000 0.434 835 F N -1.310 118.565 119.950 -0.124 0.000 2.335 835 F HA -0.085 4.429 4.527 -0.022 0.000 0.296 835 F C 2.298 178.072 175.800 -0.043 0.000 1.091 835 F CA 0.573 58.525 58.000 -0.079 0.000 1.399 835 F CB -0.478 38.475 39.000 -0.077 0.000 1.067 835 F HN -0.237 nan 8.300 nan 0.000 0.520 836 V N 0.147 120.122 119.914 0.102 0.000 2.358 836 V HA -0.236 3.872 4.120 -0.021 0.000 0.246 836 V C 2.359 178.465 176.094 0.020 0.000 1.047 836 V CA 1.723 64.054 62.300 0.053 0.000 1.035 836 V CB -0.538 31.299 31.823 0.023 0.000 0.658 836 V HN 0.233 nan 8.190 nan 0.000 0.452 837 R N 0.031 120.521 120.500 -0.018 0.000 2.090 837 R HA -0.038 4.290 4.340 -0.021 0.000 0.228 837 R C 2.472 178.755 176.300 -0.028 0.000 1.110 837 R CA 1.291 57.371 56.100 -0.033 0.000 0.973 837 R CB -0.567 29.697 30.300 -0.060 0.000 0.869 837 R HN 0.519 nan 8.270 nan 0.000 0.440 838 A N 0.706 123.500 122.820 -0.043 0.000 1.908 838 A HA -0.142 4.165 4.320 -0.021 0.000 0.218 838 A C 2.312 179.923 177.584 0.045 0.000 1.181 838 A CA 1.484 53.511 52.037 -0.015 0.000 0.627 838 A CB -0.572 18.403 19.000 -0.041 0.000 0.818 838 A HN 0.130 nan 8.150 nan 0.000 0.445 839 V N 0.669 120.625 119.914 0.070 0.000 2.427 839 V HA -0.225 3.882 4.120 -0.021 0.000 0.248 839 V C 2.402 178.530 176.094 0.056 0.000 1.051 839 V CA 2.261 64.617 62.300 0.092 0.000 1.048 839 V CB -0.580 31.300 31.823 0.096 0.000 0.666 839 V HN 0.763 nan 8.190 nan 0.000 0.456 840 D N -0.175 120.244 120.400 0.032 0.000 2.144 840 D HA -0.146 4.482 4.640 -0.021 0.000 0.200 840 D C 2.075 178.380 176.300 0.008 0.000 0.978 840 D CA 1.342 55.352 54.000 0.017 0.000 0.833 840 D CB 0.125 40.928 40.800 0.007 0.000 0.961 840 D HN 0.456 nan 8.370 nan 0.000 0.470 841 I N 0.612 121.183 120.570 0.002 0.000 2.233 841 I HA -0.217 3.940 4.170 -0.021 0.000 0.243 841 I C 2.608 178.720 176.117 -0.009 0.000 1.093 841 I CA 0.406 61.700 61.300 -0.009 0.000 1.380 841 I CB -0.107 37.881 38.000 -0.020 0.000 1.067 841 I HN 0.017 nan 8.210 nan 0.000 0.413 842 L N 0.400 121.627 121.223 0.006 0.000 2.079 842 L HA -0.185 4.142 4.340 -0.021 0.000 0.210 842 L C 2.375 179.239 176.870 -0.010 0.000 1.081 842 L CA 1.536 56.374 54.840 -0.003 0.000 0.752 842 L CB -1.009 41.070 42.059 0.033 0.000 0.896 842 L HN 0.353 nan 8.230 nan 0.000 0.433 843 G N -0.903 107.902 108.800 0.009 0.000 2.776 843 G HA2 -0.122 3.825 3.960 -0.021 0.000 0.209 843 G HA3 -0.122 3.825 3.960 -0.021 0.000 0.209 843 G C 1.614 176.511 174.900 -0.005 0.000 1.145 843 G CA -0.101 45.002 45.100 0.005 0.000 0.791 843 G HN 0.312 nan 8.290 nan 0.000 0.530 844 R N -0.960 119.533 120.500 -0.012 0.000 2.246 844 R HA 0.116 4.444 4.340 -0.021 0.000 0.199 844 R C 0.232 176.519 176.300 -0.022 0.000 0.984 844 R CA 0.208 56.299 56.100 -0.016 0.000 1.015 844 R CB 0.220 30.509 30.300 -0.017 0.000 0.930 844 R HN -0.035 nan 8.270 nan 0.000 0.475 845 K N 1.929 122.310 120.400 -0.031 0.000 2.354 845 K HA 0.066 4.373 4.320 -0.021 0.000 0.257 845 K C -0.835 175.743 176.600 -0.037 0.000 1.062 845 K CA -0.332 55.932 56.287 -0.037 0.000 0.971 845 K CB 0.943 33.413 32.500 -0.051 0.000 1.305 845 K HN 0.018 nan 8.250 nan 0.000 0.449 846 T N 0.404 114.941 114.554 -0.028 0.000 2.934 846 T HA 0.283 4.620 4.350 -0.021 0.000 0.306 846 T C 1.172 175.852 174.700 -0.033 0.000 1.042 846 T CA 0.537 62.622 62.100 -0.025 0.000 1.145 846 T CB 0.700 69.558 68.868 -0.017 0.000 0.982 846 T HN 0.841 nan 8.240 nan 0.000 0.544 847 G N 2.350 111.130 108.800 -0.034 0.000 2.184 847 G HA2 -0.274 3.674 3.960 -0.021 0.000 0.264 847 G HA3 -0.274 3.674 3.960 -0.021 0.000 0.264 847 G C 0.724 175.579 174.900 -0.074 0.000 0.975 847 G CA 0.392 45.465 45.100 -0.045 0.000 0.642 847 G HN 0.799 nan 8.290 nan 0.000 0.536 848 L N -0.146 121.027 121.223 -0.084 0.000 2.046 848 L HA 0.367 4.695 4.340 -0.021 0.000 0.208 848 L C 1.581 178.323 176.870 -0.212 0.000 1.077 848 L CA 1.859 56.622 54.840 -0.129 0.000 0.747 848 L CB -0.271 41.720 42.059 -0.113 0.000 0.896 848 L HN 0.682 nan 8.230 nan 0.000 0.432 849 A N -0.976 121.738 122.820 -0.177 0.000 2.359 849 A HA 0.477 4.785 4.320 -0.021 0.000 0.303 849 A C 0.053 177.607 177.584 -0.049 0.000 1.066 849 A CA -0.369 51.521 52.037 -0.245 0.000 0.730 849 A CB 1.159 20.061 19.000 -0.164 0.000 1.211 849 A HN 0.261 nan 8.150 nan 0.000 0.439 850 S N 2.705 118.407 115.700 0.003 0.000 2.576 850 S HA 0.309 4.766 4.470 -0.021 0.000 0.272 850 S C -1.740 172.937 174.600 0.129 0.000 1.352 850 S CA -0.443 57.802 58.200 0.075 0.000 1.021 850 S CB 0.261 63.515 63.200 0.089 0.000 0.887 850 S HN 0.421 nan 8.310 nan 0.000 0.542 851 P HA -0.066 nan 4.420 nan 0.000 0.218 851 P C 1.019 178.381 177.300 0.104 0.000 1.148 851 P CA 1.195 64.348 63.100 0.088 0.000 0.822 851 P CB -0.008 31.726 31.700 0.056 0.000 0.784 852 E N -1.300 118.966 120.200 0.110 0.000 2.047 852 E HA -0.152 4.185 4.350 -0.021 0.000 0.191 852 E C 1.753 178.428 176.600 0.124 0.000 0.987 852 E CA 0.932 57.391 56.400 0.099 0.000 0.799 852 E CB -1.175 28.579 29.700 0.090 0.000 0.752 852 E HN 0.218 nan 8.360 nan 0.000 0.449 853 F N 0.716 120.683 119.950 0.029 0.000 2.126 853 F HA -0.185 4.329 4.527 -0.021 0.000 0.299 853 F C 1.905 177.733 175.800 0.047 0.000 1.096 853 F CA 1.340 59.361 58.000 0.036 0.000 1.255 853 F CB -0.043 38.975 39.000 0.030 0.000 0.997 853 F HN -0.031 nan 8.300 nan 0.000 0.479 854 I N 0.439 121.164 120.570 0.258 0.000 2.179 854 I HA -0.300 3.858 4.170 -0.021 0.000 0.242 854 I C 2.523 178.666 176.117 0.043 0.000 1.088 854 I CA 1.869 63.267 61.300 0.163 0.000 1.357 854 I CB -0.666 37.432 38.000 0.163 0.000 1.051 854 I HN 0.279 nan 8.210 nan 0.000 0.409 855 E N 1.596 121.817 120.200 0.036 0.000 2.130 855 E HA -0.294 4.044 4.350 -0.021 0.000 0.196 855 E C 2.090 178.675 176.600 -0.026 0.000 0.998 855 E CA 1.500 57.905 56.400 0.009 0.000 0.806 855 E CB -0.020 29.691 29.700 0.018 0.000 0.738 855 E HN 0.405 nan 8.360 nan 0.000 0.459 856 K N -0.073 120.284 120.400 -0.072 0.000 2.057 856 K HA -0.124 4.183 4.320 -0.021 0.000 0.206 856 K C 2.231 178.769 176.600 -0.103 0.000 1.050 856 K CA 1.039 57.264 56.287 -0.103 0.000 0.935 856 K CB -0.167 32.231 32.500 -0.170 0.000 0.715 856 K HN 0.137 nan 8.250 nan 0.000 0.439 857 L N 1.469 122.584 121.223 -0.180 0.000 2.046 857 L HA -0.145 4.183 4.340 -0.021 0.000 0.208 857 L C 1.828 178.702 176.870 0.007 0.000 1.077 857 L CA 1.551 56.342 54.840 -0.082 0.000 0.747 857 L CB -0.318 41.701 42.059 -0.068 0.000 0.896 857 L HN 0.154 nan 8.230 nan 0.000 0.432 858 L N -0.663 120.557 121.223 -0.006 0.000 2.141 858 L HA -0.197 4.130 4.340 -0.021 0.000 0.209 858 L C 2.265 179.103 176.870 -0.052 0.000 1.094 858 L CA 1.476 56.304 54.840 -0.020 0.000 0.763 858 L CB -0.629 41.431 42.059 0.001 0.000 0.908 858 L HN 0.451 nan 8.230 nan 0.000 0.437 859 N N 0.317 119.000 118.700 -0.028 0.000 2.188 859 N HA -0.263 4.464 4.740 -0.021 0.000 0.184 859 N C 1.806 177.285 175.510 -0.053 0.000 1.018 859 N CA 1.157 54.188 53.050 -0.032 0.000 0.858 859 N CB -0.182 38.302 38.487 -0.005 0.000 0.989 859 N HN 0.226 nan 8.380 nan 0.000 0.426 860 F N 0.982 120.840 119.950 -0.152 0.000 2.075 860 F HA 0.008 4.522 4.527 -0.021 0.000 0.297 860 F C 2.173 177.796 175.800 -0.294 0.000 1.113 860 F CA 1.616 59.507 58.000 -0.181 0.000 1.218 860 F CB -0.869 38.031 39.000 -0.167 0.000 0.984 860 F HN 0.117 nan 8.300 nan 0.000 0.472 861 A N 0.583 123.050 122.820 -0.587 0.000 1.933 861 A HA -0.216 4.091 4.320 -0.021 0.000 0.218 861 A C 2.059 179.383 177.584 -0.434 0.000 1.175 861 A CA 1.904 53.479 52.037 -0.770 0.000 0.628 861 A CB -0.998 17.638 19.000 -0.608 0.000 0.814 861 A HN 0.538 nan 8.150 nan 0.000 0.444 862 N N 0.120 118.651 118.700 -0.282 0.000 2.120 862 N HA -0.131 4.597 4.740 -0.021 0.000 0.188 862 N C 1.634 177.023 175.510 -0.201 0.000 1.024 862 N CA 1.550 54.494 53.050 -0.177 0.000 0.852 862 N CB -0.342 38.076 38.487 -0.115 0.000 1.003 862 N HN 0.561 nan 8.380 nan 0.000 0.424 863 K N 0.725 120.966 120.400 -0.266 0.000 2.026 863 K HA -0.017 4.290 4.320 -0.021 0.000 0.208 863 K C 2.080 178.481 176.600 -0.333 0.000 1.048 863 K CA 1.242 57.377 56.287 -0.254 0.000 0.929 863 K CB -0.181 32.182 32.500 -0.227 0.000 0.713 863 K HN 0.131 nan 8.250 nan 0.000 0.439 864 A N 1.643 124.133 122.820 -0.550 0.000 1.883 864 A HA -0.250 4.058 4.320 -0.021 0.000 0.217 864 A C 2.093 179.444 177.584 -0.387 0.000 1.186 864 A CA 2.049 53.718 52.037 -0.613 0.000 0.624 864 A CB -0.531 17.923 19.000 -0.910 0.000 0.822 864 A HN 0.370 nan 8.150 nan 0.000 0.444 865 E N -0.014 120.114 120.200 -0.119 0.000 2.153 865 E HA -0.187 4.151 4.350 -0.021 0.000 0.194 865 E C 1.908 178.480 176.600 -0.046 0.000 0.988 865 E CA 1.656 58.087 56.400 0.052 0.000 0.811 865 E CB -0.219 29.532 29.700 0.084 0.000 0.746 865 E HN 0.677 nan 8.360 nan 0.000 0.466 866 E N -0.592 119.548 120.200 -0.100 0.000 2.112 866 E HA -0.171 4.167 4.350 -0.021 0.000 0.190 866 E C 1.835 178.377 176.600 -0.097 0.000 0.979 866 E CA 0.746 57.096 56.400 -0.084 0.000 0.814 866 E CB 0.058 29.705 29.700 -0.088 0.000 0.762 866 E HN 0.178 nan 8.360 nan 0.000 0.460 867 Q N 1.354 121.067 119.800 -0.146 0.000 2.084 867 Q HA -0.166 4.161 4.340 -0.021 0.000 0.202 867 Q C 2.030 177.953 176.000 -0.130 0.000 0.978 867 Q CA 1.616 57.333 55.803 -0.144 0.000 0.844 867 Q CB -0.296 28.327 28.738 -0.191 0.000 0.898 867 Q HN 0.124 nan 8.270 nan 0.000 0.426 868 R N -0.108 120.299 120.500 -0.153 0.000 2.075 868 R HA -0.096 4.232 4.340 -0.021 0.000 0.232 868 R C 1.989 178.261 176.300 -0.045 0.000 1.126 868 R CA 1.347 57.384 56.100 -0.105 0.000 0.963 868 R CB -0.080 30.165 30.300 -0.091 0.000 0.858 868 R HN 0.128 nan 8.270 nan 0.000 0.435 869 K N 0.068 120.448 120.400 -0.034 0.000 2.057 869 K HA -0.094 4.213 4.320 -0.021 0.000 0.207 869 K C 2.082 178.670 176.600 -0.020 0.000 1.049 869 K CA 1.362 57.638 56.287 -0.018 0.000 0.931 869 K CB -0.125 32.366 32.500 -0.016 0.000 0.714 869 K HN 0.247 nan 8.250 nan 0.000 0.440 870 A N 1.975 124.777 122.820 -0.031 0.000 1.877 870 A HA -0.210 4.098 4.320 -0.021 0.000 0.216 870 A C 1.674 179.248 177.584 -0.016 0.000 1.186 870 A CA 1.950 53.974 52.037 -0.022 0.000 0.620 870 A CB -0.513 18.468 19.000 -0.032 0.000 0.822 870 A HN 0.222 nan 8.150 nan 0.000 0.443 871 D N -0.533 119.848 120.400 -0.032 0.000 2.116 871 D HA -0.209 4.419 4.640 -0.021 0.000 0.193 871 D C 1.914 178.204 176.300 -0.017 0.000 0.998 871 D CA 1.700 55.681 54.000 -0.030 0.000 0.836 871 D CB -0.418 40.352 40.800 -0.049 0.000 0.951 871 D HN 0.792 nan 8.370 nan 0.000 0.449 872 E N 0.640 120.831 120.200 -0.016 0.000 2.150 872 E HA -0.195 4.143 4.350 -0.021 0.000 0.193 872 E C 1.883 178.481 176.600 -0.003 0.000 0.985 872 E CA 0.843 57.237 56.400 -0.010 0.000 0.814 872 E CB 0.066 29.762 29.700 -0.008 0.000 0.752 872 E HN 0.299 nan 8.360 nan 0.000 0.466 873 E N 0.518 120.720 120.200 0.003 0.000 2.046 873 E HA -0.236 4.101 4.350 -0.021 0.000 0.190 873 E C 1.990 178.614 176.600 0.041 0.000 0.982 873 E CA 1.312 57.720 56.400 0.013 0.000 0.800 873 E CB -0.022 29.688 29.700 0.016 0.000 0.756 873 E HN 0.184 nan 8.360 nan 0.000 0.449 874 E N 0.939 121.174 120.200 0.060 0.000 2.118 874 E HA -0.235 4.102 4.350 -0.021 0.000 0.195 874 E C 1.524 178.192 176.600 0.113 0.000 0.992 874 E CA 1.894 58.368 56.400 0.122 0.000 0.804 874 E CB -0.222 29.517 29.700 0.064 0.000 0.741 874 E HN 0.404 nan 8.360 nan 0.000 0.458 875 D N -1.158 119.267 120.400 0.041 0.000 2.162 875 D HA -0.112 4.515 4.640 -0.021 0.000 0.203 875 D C 1.887 178.187 176.300 0.000 0.000 0.967 875 D CA 0.720 54.730 54.000 0.018 0.000 0.840 875 D CB -0.149 40.645 40.800 -0.011 0.000 0.972 875 D HN 0.279 nan 8.370 nan 0.000 0.482 876 L N 0.220 121.435 121.223 -0.013 0.000 2.141 876 L HA 0.002 4.329 4.340 -0.021 0.000 0.209 876 L C 1.968 178.788 176.870 -0.084 0.000 1.094 876 L CA 1.533 56.350 54.840 -0.037 0.000 0.763 876 L CB -0.219 41.820 42.059 -0.034 0.000 0.908 876 L HN -0.005 nan 8.230 nan 0.000 0.437 877 E N -2.096 118.029 120.200 -0.124 0.000 2.166 877 E HA -0.035 4.302 4.350 -0.021 0.000 0.192 877 E C 1.114 177.372 176.600 -0.570 0.000 0.967 877 E CA 1.101 57.290 56.400 -0.351 0.000 0.840 877 E CB 0.040 29.517 29.700 -0.371 0.000 0.795 877 E HN 0.575 nan 8.360 nan 0.000 0.470 878 Y N -1.851 118.447 120.300 -0.004 0.000 2.453 878 Y HA 0.408 4.946 4.550 -0.021 0.000 0.247 878 Y C 1.181 177.080 175.900 -0.000 0.000 1.124 878 Y CA 0.110 58.210 58.100 0.000 0.000 1.243 878 Y CB 1.191 39.648 38.460 -0.005 0.000 1.213 878 Y HN 0.008 nan 8.280 nan 0.000 0.523 879 G N 1.408 110.258 108.800 0.083 0.000 3.506 879 G HA2 0.039 3.987 3.960 -0.021 0.000 0.268 879 G HA3 0.039 3.987 3.960 -0.021 0.000 0.268 879 G C 0.365 175.284 174.900 0.032 0.000 0.959 879 G CA -0.153 44.974 45.100 0.044 0.000 1.823 879 G HN 0.467 nan 8.290 nan 0.000 0.615 880 D N -0.099 120.342 120.400 0.067 0.000 2.339 880 D HA -0.073 4.555 4.640 -0.021 0.000 0.217 880 D C 0.814 177.214 176.300 0.167 0.000 1.050 880 D CA 0.069 54.131 54.000 0.102 0.000 0.856 880 D CB 0.385 41.247 40.800 0.103 0.000 0.922 880 D HN 0.257 nan 8.370 nan 0.000 0.518 881 V N -1.026 118.940 119.914 0.087 0.000 2.384 881 V HA 0.482 4.590 4.120 -0.021 0.000 0.287 881 V C -2.813 173.165 176.094 -0.193 0.000 1.020 881 V CA -2.322 59.975 62.300 -0.005 0.000 0.850 881 V CB 1.128 32.991 31.823 0.066 0.000 0.987 881 V HN -0.273 nan 8.190 nan 0.000 0.436 882 P HA 0.079 nan 4.420 nan 0.000 0.265 882 P C 0.656 177.648 177.300 -0.513 0.000 1.187 882 P CA 0.158 62.921 63.100 -0.561 0.000 0.766 882 P CB 0.593 31.685 31.700 -1.015 0.000 0.820 883 D N 2.201 122.391 120.400 -0.351 0.000 2.149 883 D HA -0.184 4.444 4.640 -0.021 0.000 0.198 883 D C 1.320 177.498 176.300 -0.204 0.000 0.990 883 D CA 1.330 55.195 54.000 -0.224 0.000 0.839 883 D CB 0.198 40.887 40.800 -0.185 0.000 0.948 883 D HN 0.625 nan 8.370 nan 0.000 0.460 884 E N -0.823 119.196 120.200 -0.302 0.000 2.482 884 E HA -0.080 4.258 4.350 -0.021 0.000 0.196 884 E C 1.731 178.377 176.600 0.076 0.000 1.047 884 E CA 0.346 56.660 56.400 -0.142 0.000 0.869 884 E CB -0.549 29.068 29.700 -0.138 0.000 0.836 884 E HN 0.406 nan 8.360 nan 0.000 0.520 885 F N 1.106 120.980 119.950 -0.127 0.000 2.743 885 F HA 0.192 4.707 4.527 -0.022 0.000 0.297 885 F C 0.861 176.623 175.800 -0.063 0.000 1.131 885 F CA -0.567 57.360 58.000 -0.122 0.000 1.426 885 F CB 0.316 39.175 39.000 -0.235 0.000 1.116 885 F HN -0.086 nan 8.300 nan 0.000 0.583 886 L N 0.992 122.281 121.223 0.110 0.000 2.292 886 L HA 0.151 4.479 4.340 -0.021 0.000 0.284 886 L C 0.342 177.274 176.870 0.104 0.000 1.065 886 L CA -0.617 54.283 54.840 0.100 0.000 0.806 886 L CB 0.589 42.694 42.059 0.077 0.000 1.175 886 L HN -0.026 nan 8.230 nan 0.000 0.431 887 D N 5.274 125.742 120.400 0.113 0.000 2.488 887 D HA -0.000 4.627 4.640 -0.021 0.000 0.238 887 D C -1.637 174.754 176.300 0.152 0.000 1.138 887 D CA -1.046 53.016 54.000 0.105 0.000 0.873 887 D CB 1.716 42.558 40.800 0.071 0.000 1.183 887 D HN 0.309 nan 8.370 nan 0.000 0.458 888 P HA -0.026 nan 4.420 nan 0.000 0.225 888 P C 1.324 178.786 177.300 0.270 0.000 1.156 888 P CA 0.705 63.930 63.100 0.209 0.000 0.787 888 P CB 0.443 32.255 31.700 0.188 0.000 0.802 889 L N -2.167 119.133 121.223 0.129 0.000 2.537 889 L HA 0.216 4.544 4.340 -0.021 0.000 0.224 889 L C 2.207 178.852 176.870 -0.375 0.000 1.065 889 L CA 0.387 55.197 54.840 -0.050 0.000 0.860 889 L CB -0.406 41.622 42.059 -0.052 0.000 1.086 889 L HN -0.186 nan 8.230 nan 0.000 0.482 890 M N -1.090 118.361 119.600 -0.249 0.000 2.441 890 M HA 0.143 4.610 4.480 -0.021 0.000 0.244 890 M C 0.360 176.510 176.300 -0.251 0.000 1.122 890 M CA 0.195 55.311 55.300 -0.306 0.000 1.041 890 M CB -0.238 32.297 32.600 -0.110 0.000 1.438 890 M HN 0.146 nan 8.290 nan 0.000 0.484 891 Y N -0.800 119.520 120.300 0.034 0.000 4.879 891 Y HA -0.251 4.286 4.550 -0.022 0.000 0.235 891 Y C 0.932 176.853 175.900 0.034 0.000 0.988 891 Y CA 0.486 58.603 58.100 0.028 0.000 1.960 891 Y CB -3.176 35.297 38.460 0.021 0.000 1.534 891 Y HN 0.367 nan 8.280 nan 0.000 0.550 892 T N -0.939 113.706 114.554 0.150 0.000 2.943 892 T HA 0.702 5.039 4.350 -0.021 0.000 0.284 892 T C 0.581 175.344 174.700 0.105 0.000 1.015 892 T CA -0.822 61.346 62.100 0.114 0.000 1.042 892 T CB 1.895 70.809 68.868 0.075 0.000 1.055 892 T HN 0.272 nan 8.240 nan 0.000 0.500 893 I N 1.053 121.687 120.570 0.108 0.000 2.821 893 I HA 0.022 4.180 4.170 -0.021 0.000 0.294 893 I C 0.624 176.785 176.117 0.073 0.000 1.210 893 I CA 0.194 61.559 61.300 0.107 0.000 1.430 893 I CB -0.466 37.610 38.000 0.127 0.000 1.356 893 I HN 0.559 nan 8.210 nan 0.000 0.563 894 M N 6.675 126.312 119.600 0.062 0.000 2.217 894 M HA 0.168 4.636 4.480 -0.021 0.000 0.354 894 M C 1.154 177.461 176.300 0.011 0.000 1.225 894 M CA -0.102 55.221 55.300 0.037 0.000 1.137 894 M CB 1.305 33.928 32.600 0.039 0.000 1.576 894 M HN 0.566 nan 8.290 nan 0.000 0.461 895 K N 0.849 121.256 120.400 0.012 0.000 2.099 895 K HA 0.021 4.329 4.320 -0.021 0.000 0.203 895 K C 0.044 176.640 176.600 -0.007 0.000 1.047 895 K CA 0.846 57.134 56.287 0.001 0.000 0.963 895 K CB 0.167 32.671 32.500 0.008 0.000 0.759 895 K HN 0.554 nan 8.250 nan 0.000 0.451 896 D N 1.631 122.032 120.400 0.001 0.000 2.441 896 D HA 0.179 4.807 4.640 -0.021 0.000 0.287 896 D C -2.715 173.589 176.300 0.008 0.000 1.198 896 D CA -2.501 51.500 54.000 0.001 0.000 0.894 896 D CB 0.968 41.770 40.800 0.004 0.000 1.070 896 D HN -0.091 nan 8.370 nan 0.000 0.499 897 P HA 0.098 nan 4.420 nan 0.000 0.271 897 P C -0.216 177.094 177.300 0.016 0.000 1.216 897 P CA -0.327 62.782 63.100 0.015 0.000 0.771 897 P CB 1.304 33.011 31.700 0.012 0.000 0.864 898 V N 1.423 121.352 119.914 0.025 0.000 3.040 898 V HA 0.599 4.706 4.120 -0.021 0.000 0.312 898 V C -0.335 175.777 176.094 0.030 0.000 1.115 898 V CA -1.257 61.058 62.300 0.025 0.000 0.998 898 V CB 2.095 33.935 31.823 0.027 0.000 1.042 898 V HN 0.278 nan 8.190 nan 0.000 0.433 899 I N 3.339 123.924 120.570 0.025 0.000 2.336 899 I HA 0.392 4.550 4.170 -0.021 0.000 0.292 899 I C -0.174 175.964 176.117 0.035 0.000 0.991 899 I CA -0.531 60.783 61.300 0.024 0.000 1.227 899 I CB 1.485 39.492 38.000 0.013 0.000 1.366 899 I HN 0.480 nan 8.210 nan 0.000 0.466 900 L N 8.395 129.648 121.223 0.050 0.000 2.367 900 L HA 0.203 4.531 4.340 -0.021 0.000 0.275 900 L C -1.201 175.697 176.870 0.046 0.000 1.129 900 L CA -1.328 53.550 54.840 0.064 0.000 0.839 900 L CB 0.450 42.577 42.059 0.113 0.000 1.133 900 L HN 0.416 nan 8.230 nan 0.000 0.453 901 P HA -0.109 nan 4.420 nan 0.000 0.220 901 P C 1.044 178.362 177.300 0.030 0.000 1.152 901 P CA 1.026 64.143 63.100 0.029 0.000 0.812 901 P CB 0.401 32.116 31.700 0.026 0.000 0.792 902 A N 1.089 123.934 122.820 0.042 0.000 1.843 902 A HA -0.083 4.225 4.320 -0.021 0.000 0.213 902 A C 2.446 180.056 177.584 0.043 0.000 1.202 902 A CA 2.137 54.199 52.037 0.042 0.000 0.607 902 A CB -1.372 17.657 19.000 0.049 0.000 0.847 902 A HN 0.329 nan 8.150 nan 0.000 0.445 903 S N -1.490 114.250 115.700 0.066 0.000 2.436 903 S HA -0.017 4.441 4.470 -0.021 0.000 0.228 903 S C 0.789 175.385 174.600 -0.006 0.000 1.014 903 S CA 1.012 59.242 58.200 0.050 0.000 0.950 903 S CB -0.062 63.214 63.200 0.125 0.000 0.784 903 S HN 0.456 nan 8.310 nan 0.000 0.504 904 K N -0.098 120.304 120.400 0.003 0.000 3.341 904 K HA -0.107 4.201 4.320 -0.021 0.000 0.305 904 K C -0.403 176.165 176.600 -0.053 0.000 1.270 904 K CA 0.836 57.111 56.287 -0.019 0.000 0.897 904 K CB -2.411 30.073 32.500 -0.026 0.000 1.264 904 K HN 0.456 nan 8.250 nan 0.000 0.468 905 M N 1.263 120.818 119.600 -0.074 0.000 2.250 905 M HA 0.169 4.636 4.480 -0.021 0.000 0.344 905 M C 0.807 177.074 176.300 -0.055 0.000 1.150 905 M CA 0.038 55.239 55.300 -0.166 0.000 1.147 905 M CB 0.477 32.826 32.600 -0.418 0.000 1.498 905 M HN -0.018 nan 8.290 nan 0.000 0.461 906 N N 2.318 120.982 118.700 -0.059 0.000 2.529 906 N HA 0.532 5.260 4.740 -0.021 0.000 0.278 906 N C -0.923 174.608 175.510 0.036 0.000 1.146 906 N CA -0.040 53.010 53.050 -0.000 0.000 0.980 906 N CB 2.039 40.529 38.487 0.005 0.000 1.124 906 N HN 0.615 nan 8.380 nan 0.000 0.458 907 I N 0.084 120.692 120.570 0.064 0.000 3.004 907 I HA 0.147 4.305 4.170 -0.021 0.000 0.305 907 I C -1.248 174.906 176.117 0.061 0.000 1.312 907 I CA -0.772 60.581 61.300 0.089 0.000 0.992 907 I CB 2.564 40.652 38.000 0.148 0.000 1.282 907 I HN 0.326 nan 8.210 nan 0.000 0.449 908 D N 3.356 123.789 120.400 0.054 0.000 2.345 908 D HA 0.183 4.811 4.640 -0.021 0.000 0.247 908 D C 1.195 177.515 176.300 0.033 0.000 1.108 908 D CA 0.096 54.119 54.000 0.038 0.000 0.894 908 D CB 1.282 42.102 40.800 0.033 0.000 1.203 908 D HN 0.480 nan 8.370 nan 0.000 0.430 909 R N 1.931 122.446 120.500 0.026 0.000 2.096 909 R HA -0.226 4.102 4.340 -0.021 0.000 0.240 909 R C 1.827 178.141 176.300 0.023 0.000 1.139 909 R CA 2.269 58.383 56.100 0.024 0.000 0.952 909 R CB -0.406 29.904 30.300 0.018 0.000 0.854 909 R HN 0.572 nan 8.270 nan 0.000 0.436 910 S N -0.641 115.070 115.700 0.019 0.000 2.400 910 S HA -0.146 4.311 4.470 -0.021 0.000 0.232 910 S C 1.837 176.448 174.600 0.018 0.000 1.025 910 S CA 1.708 59.917 58.200 0.016 0.000 0.993 910 S CB -0.642 62.565 63.200 0.011 0.000 0.808 910 S HN 0.490 nan 8.310 nan 0.000 0.478 911 T N 2.238 116.805 114.554 0.021 0.000 2.770 911 T HA 0.094 4.431 4.350 -0.021 0.000 0.263 911 T C 1.707 176.429 174.700 0.037 0.000 1.039 911 T CA 1.124 63.235 62.100 0.019 0.000 1.142 911 T CB -0.489 68.387 68.868 0.013 0.000 0.868 911 T HN 0.335 nan 8.240 nan 0.000 0.435 912 I N 1.478 122.072 120.570 0.041 0.000 2.315 912 I HA -0.036 4.122 4.170 -0.021 0.000 0.248 912 I C 2.301 178.464 176.117 0.077 0.000 1.117 912 I CA 1.289 62.626 61.300 0.061 0.000 1.404 912 I CB -0.411 37.620 38.000 0.051 0.000 1.071 912 I HN 0.082 nan 8.210 nan 0.000 0.419 913 K N 0.528 120.955 120.400 0.046 0.000 2.032 913 K HA -0.183 4.125 4.320 -0.021 0.000 0.209 913 K C 2.060 178.676 176.600 0.026 0.000 1.048 913 K CA 1.602 57.908 56.287 0.031 0.000 0.927 913 K CB -0.281 32.230 32.500 0.018 0.000 0.712 913 K HN 0.376 nan 8.250 nan 0.000 0.441 914 A N 0.224 123.062 122.820 0.029 0.000 2.015 914 A HA -0.187 4.120 4.320 -0.021 0.000 0.219 914 A C 1.869 179.469 177.584 0.026 0.000 1.163 914 A CA 1.741 53.788 52.037 0.017 0.000 0.646 914 A CB -0.728 18.279 19.000 0.011 0.000 0.806 914 A HN 0.598 nan 8.150 nan 0.000 0.448 915 H N -0.040 119.003 119.070 -0.044 0.000 2.307 915 H HA 0.072 4.614 4.556 -0.023 0.000 0.303 915 H C 1.674 176.973 175.328 -0.048 0.000 1.073 915 H CA 1.900 57.913 56.048 -0.059 0.000 1.338 915 H CB -0.243 29.469 29.762 -0.083 0.000 1.389 915 H HN 0.327 nan 8.280 nan 0.000 0.503 916 L N -0.080 121.120 121.223 -0.038 0.000 2.275 916 L HA -0.100 4.227 4.340 -0.021 0.000 0.215 916 L C 2.272 179.084 176.870 -0.096 0.000 1.119 916 L CA 0.367 55.159 54.840 -0.079 0.000 0.790 916 L CB -0.349 41.719 42.059 0.014 0.000 0.919 916 L HN 0.307 nan 8.230 nan 0.000 0.443 917 L N 0.207 121.386 121.223 -0.072 0.000 2.089 917 L HA -0.258 4.069 4.340 -0.021 0.000 0.213 917 L C 2.326 179.141 176.870 -0.091 0.000 1.079 917 L CA 2.406 57.208 54.840 -0.065 0.000 0.758 917 L CB -0.398 41.635 42.059 -0.044 0.000 0.891 917 L HN 0.425 nan 8.230 nan 0.000 0.433 918 S N -3.693 111.918 115.700 -0.148 0.000 2.632 918 S HA 0.227 4.685 4.470 -0.021 0.000 0.237 918 S C 0.129 174.615 174.600 -0.189 0.000 1.037 918 S CA -0.105 58.010 58.200 -0.142 0.000 1.009 918 S CB 0.307 63.435 63.200 -0.121 0.000 0.974 918 S HN 0.447 nan 8.310 nan 0.000 0.544 919 D N 1.004 121.228 120.400 -0.293 0.000 2.354 919 D HA 0.268 4.896 4.640 -0.021 0.000 0.230 919 D C -1.111 175.017 176.300 -0.286 0.000 1.361 919 D CA -0.113 53.690 54.000 -0.329 0.000 0.992 919 D CB 1.544 42.035 40.800 -0.514 0.000 1.409 919 D HN -0.020 nan 8.370 nan 0.000 0.573 920 S N 2.314 117.942 115.700 -0.121 0.000 3.544 920 S HA 0.275 4.733 4.470 -0.021 0.000 0.227 920 S C 0.234 174.839 174.600 0.008 0.000 1.387 920 S CA -0.014 58.157 58.200 -0.048 0.000 1.182 920 S CB -0.529 62.651 63.200 -0.032 0.000 1.243 920 S HN 0.604 nan 8.310 nan 0.000 0.467 921 T N -2.208 112.385 114.554 0.064 0.000 2.894 921 T HA 0.315 4.652 4.350 -0.021 0.000 0.309 921 T C -1.081 173.713 174.700 0.156 0.000 1.208 921 T CA -1.009 61.153 62.100 0.104 0.000 1.016 921 T CB 1.419 70.344 68.868 0.096 0.000 1.192 921 T HN 0.045 nan 8.240 nan 0.000 0.491 922 D N 2.768 123.211 120.400 0.070 0.000 2.472 922 D HA 0.067 4.694 4.640 -0.021 0.000 0.248 922 D C -1.116 175.110 176.300 -0.123 0.000 1.174 922 D CA -1.304 52.700 54.000 0.007 0.000 0.883 922 D CB 1.318 42.154 40.800 0.060 0.000 1.149 922 D HN 0.284 nan 8.370 nan 0.000 0.488 923 P HA -0.069 nan 4.420 nan 0.000 0.230 923 P C 0.887 177.778 177.300 -0.681 0.000 1.158 923 P CA 0.717 63.351 63.100 -0.777 0.000 0.769 923 P CB -0.024 30.834 31.700 -1.403 0.000 0.807 924 F N 0.993 120.893 119.950 -0.083 0.000 2.582 924 F HA 0.102 4.614 4.527 -0.025 0.000 0.290 924 F C 1.662 177.453 175.800 -0.014 0.000 1.115 924 F CA 0.541 58.516 58.000 -0.042 0.000 1.445 924 F CB -0.532 38.444 39.000 -0.041 0.000 1.126 924 F HN 0.024 nan 8.300 nan 0.000 0.574 925 N N -0.965 117.815 118.700 0.134 0.000 2.143 925 N HA 0.074 4.802 4.740 -0.021 0.000 0.229 925 N C 0.270 175.812 175.510 0.053 0.000 1.294 925 N CA -0.148 52.956 53.050 0.090 0.000 0.883 925 N CB 0.213 38.755 38.487 0.090 0.000 1.148 925 N HN -0.135 nan 8.380 nan 0.000 0.511 926 R N -0.886 119.637 120.500 0.037 0.000 3.989 926 R HA -0.134 4.194 4.340 -0.021 0.000 0.377 926 R C -0.463 175.859 176.300 0.036 0.000 1.158 926 R CA 0.633 56.753 56.100 0.034 0.000 1.035 926 R CB -2.382 27.936 30.300 0.029 0.000 1.557 926 R HN 0.391 nan 8.270 nan 0.000 0.551 927 M N 1.474 121.098 119.600 0.040 0.000 2.217 927 M HA 0.215 4.683 4.480 -0.021 0.000 0.354 927 M C -1.788 174.534 176.300 0.036 0.000 1.225 927 M CA -1.964 53.357 55.300 0.036 0.000 1.137 927 M CB 0.027 32.650 32.600 0.038 0.000 1.576 927 M HN -0.298 nan 8.290 nan 0.000 0.461 928 P HA 0.128 nan 4.420 nan 0.000 0.264 928 P C -1.037 176.281 177.300 0.030 0.000 1.183 928 P CA 0.008 63.123 63.100 0.025 0.000 0.763 928 P CB 0.406 32.116 31.700 0.017 0.000 0.807 929 L N 3.143 124.385 121.223 0.032 0.000 2.526 929 L HA 0.446 4.774 4.340 -0.021 0.000 0.263 929 L C -1.297 175.591 176.870 0.030 0.000 0.943 929 L CA -0.368 54.494 54.840 0.037 0.000 0.859 929 L CB 1.870 43.962 42.059 0.055 0.000 1.313 929 L HN 0.177 nan 8.230 nan 0.000 0.406 930 K N 4.027 124.442 120.400 0.025 0.000 2.259 930 K HA 0.366 4.674 4.320 -0.021 0.000 0.252 930 K C 0.362 176.976 176.600 0.023 0.000 0.936 930 K CA -0.905 55.394 56.287 0.019 0.000 0.810 930 K CB 2.438 34.946 32.500 0.013 0.000 1.143 930 K HN 0.588 nan 8.250 nan 0.000 0.427 931 L N 2.913 124.148 121.223 0.020 0.000 2.081 931 L HA -0.221 4.107 4.340 -0.021 0.000 0.212 931 L C 1.436 178.318 176.870 0.019 0.000 1.080 931 L CA 2.058 56.912 54.840 0.022 0.000 0.754 931 L CB -0.351 41.719 42.059 0.017 0.000 0.893 931 L HN 0.669 nan 8.230 nan 0.000 0.433 932 E N -0.252 119.957 120.200 0.015 0.000 2.147 932 E HA -0.244 4.093 4.350 -0.021 0.000 0.199 932 E C 1.620 178.229 176.600 0.015 0.000 1.005 932 E CA 1.655 58.063 56.400 0.013 0.000 0.810 932 E CB -0.393 29.313 29.700 0.011 0.000 0.736 932 E HN 0.566 nan 8.360 nan 0.000 0.460 933 D N 0.187 120.598 120.400 0.018 0.000 2.349 933 D HA -0.023 4.605 4.640 -0.021 0.000 0.224 933 D C 0.461 176.775 176.300 0.022 0.000 1.029 933 D CA 0.256 54.268 54.000 0.019 0.000 0.879 933 D CB -0.112 40.700 40.800 0.020 0.000 0.906 933 D HN 0.162 nan 8.370 nan 0.000 0.528 934 V N -0.643 119.285 119.914 0.025 0.000 2.924 934 V HA 0.355 4.462 4.120 -0.021 0.000 0.305 934 V C 0.317 176.423 176.094 0.021 0.000 1.073 934 V CA -0.255 62.061 62.300 0.027 0.000 1.098 934 V CB 1.226 33.068 31.823 0.032 0.000 1.000 934 V HN -0.152 nan 8.190 nan 0.000 0.484 935 T N 5.498 120.064 114.554 0.020 0.000 2.792 935 T HA 0.498 4.836 4.350 -0.021 0.000 0.280 935 T C -2.708 172.001 174.700 0.014 0.000 0.990 935 T CA -1.073 61.036 62.100 0.015 0.000 0.960 935 T CB 1.475 70.351 68.868 0.013 0.000 0.939 935 T HN 0.733 nan 8.240 nan 0.000 0.439 936 P HA 0.066 nan 4.420 nan 0.000 0.262 936 P C -0.201 177.103 177.300 0.007 0.000 1.182 936 P CA -0.159 62.946 63.100 0.008 0.000 0.761 936 P CB 0.313 32.016 31.700 0.005 0.000 0.795 937 N N 2.893 121.597 118.700 0.006 0.000 3.105 937 N HA 0.015 4.743 4.740 -0.021 0.000 0.256 937 N C 0.977 176.486 175.510 -0.002 0.000 1.174 937 N CA -0.097 52.955 53.050 0.004 0.000 1.030 937 N CB 0.073 38.565 38.487 0.008 0.000 1.305 937 N HN 0.247 nan 8.380 nan 0.000 0.509 938 E N 1.578 121.776 120.200 -0.003 0.000 2.051 938 E HA -0.169 4.168 4.350 -0.021 0.000 0.192 938 E C 1.320 177.914 176.600 -0.010 0.000 0.991 938 E CA 1.351 57.747 56.400 -0.007 0.000 0.799 938 E CB 0.015 29.712 29.700 -0.004 0.000 0.748 938 E HN 0.581 nan 8.360 nan 0.000 0.449 939 E N -0.316 119.882 120.200 -0.003 0.000 2.086 939 E HA -0.235 4.102 4.350 -0.021 0.000 0.200 939 E C 2.023 178.622 176.600 -0.002 0.000 1.012 939 E CA 1.442 57.843 56.400 0.002 0.000 0.812 939 E CB -0.224 29.482 29.700 0.010 0.000 0.743 939 E HN 0.278 nan 8.360 nan 0.000 0.453 940 L N 1.390 122.613 121.223 0.000 0.000 2.056 940 L HA -0.133 4.195 4.340 -0.021 0.000 0.207 940 L C 2.569 179.392 176.870 -0.079 0.000 1.078 940 L CA 1.710 56.546 54.840 -0.006 0.000 0.749 940 L CB -0.590 41.482 42.059 0.021 0.000 0.901 940 L HN 0.025 nan 8.230 nan 0.000 0.433 941 R N -1.271 119.192 120.500 -0.062 0.000 2.127 941 R HA -0.170 4.158 4.340 -0.021 0.000 0.238 941 R C 2.104 178.346 176.300 -0.096 0.000 1.134 941 R CA 1.304 57.356 56.100 -0.080 0.000 0.975 941 R CB -0.008 30.267 30.300 -0.043 0.000 0.865 941 R HN 0.458 nan 8.270 nan 0.000 0.447 942 Q N 0.312 120.071 119.800 -0.068 0.000 2.230 942 Q HA -0.100 4.227 4.340 -0.021 0.000 0.202 942 Q C 1.740 177.693 176.000 -0.077 0.000 0.963 942 Q CA 1.226 56.996 55.803 -0.055 0.000 0.866 942 Q CB 0.130 28.854 28.738 -0.024 0.000 0.931 942 Q HN 0.410 nan 8.270 nan 0.000 0.452 943 K N 0.242 120.572 120.400 -0.117 0.000 2.062 943 K HA -0.010 4.297 4.320 -0.021 0.000 0.205 943 K C 2.185 178.546 176.600 -0.398 0.000 1.051 943 K CA 0.779 56.978 56.287 -0.148 0.000 0.941 943 K CB -0.043 32.439 32.500 -0.029 0.000 0.719 943 K HN 0.122 nan 8.250 nan 0.000 0.440 944 I N 1.335 121.533 120.570 -0.620 0.000 2.226 944 I HA -0.278 3.879 4.170 -0.021 0.000 0.245 944 I C 2.236 178.243 176.117 -0.184 0.000 1.100 944 I CA 1.123 62.032 61.300 -0.652 0.000 1.374 944 I CB -0.203 37.497 38.000 -0.501 0.000 1.057 944 I HN 0.088 nan 8.210 nan 0.000 0.413 945 L N -0.259 120.890 121.223 -0.124 0.000 1.994 945 L HA -0.306 4.021 4.340 -0.021 0.000 0.208 945 L C 2.865 179.725 176.870 -0.016 0.000 1.071 945 L CA 1.468 56.279 54.840 -0.048 0.000 0.745 945 L CB -0.641 41.391 42.059 -0.044 0.000 0.892 945 L HN 0.478 nan 8.230 nan 0.000 0.431 946 C N -0.147 119.148 119.300 -0.009 0.000 2.385 946 C HA -0.299 4.149 4.460 -0.021 0.000 0.275 946 C C 2.807 177.832 174.990 0.059 0.000 1.207 946 C CA 1.173 60.206 59.018 0.024 0.000 1.760 946 C CB -0.957 26.808 27.740 0.043 0.000 2.051 946 C HN 0.584 nan 8.230 nan 0.000 0.467 947 F N 1.640 121.559 119.950 -0.052 0.000 2.095 947 F HA -0.102 4.413 4.527 -0.020 0.000 0.298 947 F C 2.385 178.189 175.800 0.006 0.000 1.104 947 F CA 2.290 60.298 58.000 0.013 0.000 1.232 947 F CB -0.507 38.529 39.000 0.060 0.000 0.987 947 F HN 0.192 nan 8.300 nan 0.000 0.475 948 K N 0.070 120.460 120.400 -0.016 0.000 2.211 948 K HA -0.192 4.116 4.320 -0.021 0.000 0.203 948 K C 2.195 178.712 176.600 -0.138 0.000 1.050 948 K CA 1.218 57.447 56.287 -0.096 0.000 0.945 948 K CB -0.182 32.328 32.500 0.016 0.000 0.732 948 K HN 0.256 nan 8.250 nan 0.000 0.451 949 K N 0.813 121.154 120.400 -0.099 0.000 2.103 949 K HA -0.119 4.189 4.320 -0.021 0.000 0.204 949 K C 2.015 178.549 176.600 -0.109 0.000 1.052 949 K CA 0.953 57.191 56.287 -0.081 0.000 0.945 949 K CB 0.235 32.708 32.500 -0.045 0.000 0.722 949 K HN 0.072 nan 8.250 nan 0.000 0.443 950 Q N 0.544 120.255 119.800 -0.149 0.000 2.135 950 Q HA -0.145 4.183 4.340 -0.021 0.000 0.204 950 Q C 1.771 177.654 176.000 -0.195 0.000 0.981 950 Q CA 1.217 56.926 55.803 -0.157 0.000 0.856 950 Q CB 0.088 28.733 28.738 -0.156 0.000 0.902 950 Q HN 0.211 nan 8.270 nan 0.000 0.425 951 K N 0.475 120.700 120.400 -0.293 0.000 2.243 951 K HA -0.008 4.299 4.320 -0.021 0.000 0.201 951 K C 1.828 178.345 176.600 -0.138 0.000 1.051 951 K CA 0.317 56.457 56.287 -0.245 0.000 0.970 951 K CB 0.010 32.303 32.500 -0.345 0.000 0.755 951 K HN 0.106 nan 8.250 nan 0.000 0.465 952 K N 1.588 121.916 120.400 -0.119 0.000 2.211 952 K HA -0.125 4.183 4.320 -0.021 0.000 0.203 952 K C 1.241 177.807 176.600 -0.056 0.000 1.050 952 K CA 1.193 57.437 56.287 -0.072 0.000 0.945 952 K CB 0.175 32.639 32.500 -0.060 0.000 0.732 952 K HN 0.099 nan 8.250 nan 0.000 0.451 953 E N -0.219 119.944 120.200 -0.062 0.000 2.481 953 E HA -0.082 4.255 4.350 -0.021 0.000 0.195 953 E C 1.218 177.794 176.600 -0.039 0.000 1.047 953 E CA 0.383 56.755 56.400 -0.045 0.000 0.867 953 E CB 0.419 30.093 29.700 -0.044 0.000 0.858 953 E HN 0.246 nan 8.360 nan 0.000 0.513 954 E N 0.308 120.481 120.200 -0.045 0.000 2.127 954 E HA 0.104 4.441 4.350 -0.021 0.000 0.191 954 E C 0.967 177.551 176.600 -0.027 0.000 0.964 954 E CA 0.335 56.714 56.400 -0.035 0.000 0.832 954 E CB -0.326 29.351 29.700 -0.039 0.000 0.790 954 E HN 0.154 nan 8.360 nan 0.000 0.465 955 A N 0.000 122.802 122.820 -0.029 0.000 2.254 955 A HA 0.000 4.308 4.320 -0.021 0.000 0.244 955 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 955 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 955 A HN 0.000 nan 8.150 nan 0.000 0.486