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 1r1r_1_C DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPIRGGEA FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLFYQN TRDG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.506 175.510 -0.007 0.000 1.280 4 N CA 0.000 53.050 53.050 0.001 0.000 0.885 4 N CB 0.000 38.488 38.487 0.001 0.000 1.341 5 L N 2.121 123.343 121.223 -0.000 0.000 3.177 5 L HA -0.166 4.173 4.340 -0.001 0.000 0.640 5 L C -1.087 175.758 176.870 -0.042 0.000 1.018 5 L CA 0.088 54.920 54.840 -0.013 0.000 1.288 5 L CB -0.257 41.793 42.059 -0.015 0.000 1.594 5 L HN 0.212 nan 8.230 nan 0.000 0.796 6 L N 4.220 125.422 121.223 -0.035 0.000 2.371 6 L HA 0.473 4.813 4.340 -0.001 0.000 0.272 6 L C 0.201 177.016 176.870 -0.091 0.000 1.124 6 L CA -0.518 54.294 54.840 -0.047 0.000 0.816 6 L CB 1.388 43.434 42.059 -0.021 0.000 1.129 6 L HN 0.223 nan 8.230 nan 0.000 0.448 7 V N 1.946 121.800 119.914 -0.100 0.000 2.495 7 V HA 0.357 4.477 4.120 -0.001 0.000 0.298 7 V C 0.140 176.175 176.094 -0.099 0.000 1.031 7 V CA -0.560 61.656 62.300 -0.139 0.000 0.871 7 V CB 1.957 33.683 31.823 -0.162 0.000 0.988 7 V HN 0.756 nan 8.190 nan 0.000 0.432 8 T N 5.198 119.690 114.554 -0.102 0.000 2.867 8 T HA 0.468 4.818 4.350 -0.001 0.000 0.282 8 T C -0.047 174.609 174.700 -0.073 0.000 1.000 8 T CA -0.632 61.428 62.100 -0.067 0.000 1.042 8 T CB 1.260 70.101 68.868 -0.044 0.000 0.973 8 T HN 0.553 nan 8.240 nan 0.000 0.465 9 K N 1.246 121.616 120.400 -0.051 0.000 2.450 9 K HA 0.464 4.784 4.320 -0.001 0.000 0.248 9 K C 1.378 177.958 176.600 -0.033 0.000 1.056 9 K CA -1.080 55.179 56.287 -0.048 0.000 0.974 9 K CB 0.765 33.244 32.500 -0.036 0.000 1.334 9 K HN 0.266 nan 8.250 nan 0.000 0.516 10 R N 1.130 121.614 120.500 -0.027 0.000 2.105 10 R HA -0.137 4.203 4.340 -0.001 0.000 0.239 10 R C 1.395 177.688 176.300 -0.012 0.000 1.135 10 R CA 1.477 57.567 56.100 -0.017 0.000 0.967 10 R CB -0.340 29.951 30.300 -0.014 0.000 0.861 10 R HN 0.684 nan 8.270 nan 0.000 0.442 11 D N -0.286 120.108 120.400 -0.011 0.000 2.355 11 D HA -0.033 4.606 4.640 -0.001 0.000 0.218 11 D C 0.376 176.671 176.300 -0.007 0.000 1.004 11 D CA 0.878 54.873 54.000 -0.007 0.000 0.880 11 D CB 0.295 41.091 40.800 -0.006 0.000 0.911 11 D HN 0.410 nan 8.370 nan 0.000 0.528 12 G N 0.706 109.500 108.800 -0.011 0.000 2.203 12 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.231 12 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.231 12 G C -0.196 174.698 174.900 -0.010 0.000 1.058 12 G CA 0.233 45.327 45.100 -0.010 0.000 0.781 12 G HN 0.264 nan 8.290 nan 0.000 0.496 13 S N 0.106 115.797 115.700 -0.015 0.000 2.503 13 S HA 0.755 5.225 4.470 -0.001 0.000 0.301 13 S C 0.266 174.854 174.600 -0.021 0.000 1.087 13 S CA -0.104 58.087 58.200 -0.014 0.000 1.042 13 S CB 1.838 65.031 63.200 -0.011 0.000 1.043 13 S HN 0.822 nan 8.310 nan 0.000 0.489 14 T N 1.146 115.689 114.554 -0.018 0.000 2.794 14 T HA 0.489 4.839 4.350 -0.001 0.000 0.296 14 T C -0.214 174.472 174.700 -0.024 0.000 0.949 14 T CA -0.630 61.456 62.100 -0.023 0.000 1.101 14 T CB 0.817 69.676 68.868 -0.016 0.000 0.905 14 T HN 0.673 nan 8.240 nan 0.000 0.516 15 E N 1.889 122.068 120.200 -0.034 0.000 2.339 15 E HA 0.498 4.848 4.350 -0.001 0.000 0.262 15 E C -0.584 175.993 176.600 -0.039 0.000 0.934 15 E CA -1.190 55.191 56.400 -0.032 0.000 0.802 15 E CB 1.788 31.469 29.700 -0.032 0.000 1.275 15 E HN 0.470 nan 8.360 nan 0.000 0.427 16 R N 1.308 121.788 120.500 -0.033 0.000 2.459 16 R HA 0.292 4.631 4.340 -0.001 0.000 0.281 16 R C 0.079 176.350 176.300 -0.048 0.000 1.050 16 R CA -0.611 55.468 56.100 -0.036 0.000 1.055 16 R CB 0.697 30.983 30.300 -0.023 0.000 1.045 16 R HN 0.467 nan 8.270 nan 0.000 0.495 17 I N 2.576 123.109 120.570 -0.061 0.000 2.775 17 I HA -0.126 4.044 4.170 -0.001 0.000 0.290 17 I C -0.340 175.747 176.117 -0.050 0.000 1.203 17 I CA 0.817 62.069 61.300 -0.080 0.000 1.433 17 I CB 0.338 38.282 38.000 -0.094 0.000 1.354 17 I HN 0.624 nan 8.210 nan 0.000 0.579 18 N N 7.698 126.371 118.700 -0.045 0.000 2.746 18 N HA 0.204 4.944 4.740 -0.001 0.000 0.250 18 N C 0.627 176.141 175.510 0.008 0.000 1.146 18 N CA -0.369 52.673 53.050 -0.013 0.000 0.828 18 N CB 0.604 39.089 38.487 -0.003 0.000 1.158 18 N HN 0.587 nan 8.380 nan 0.000 0.519 19 L N 0.528 121.759 121.223 0.013 0.000 2.191 19 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 19 L C 1.194 178.132 176.870 0.113 0.000 1.103 19 L CA 0.969 55.844 54.840 0.059 0.000 0.769 19 L CB 0.055 42.142 42.059 0.045 0.000 0.908 19 L HN 0.423 nan 8.230 nan 0.000 0.438 20 D N 0.015 120.460 120.400 0.074 0.000 2.149 20 D HA -0.143 4.496 4.640 -0.001 0.000 0.201 20 D C 2.080 178.446 176.300 0.109 0.000 0.972 20 D CA 0.888 54.939 54.000 0.085 0.000 0.835 20 D CB 0.082 40.907 40.800 0.042 0.000 0.966 20 D HN 0.320 nan 8.370 nan 0.000 0.476 21 K N 0.745 121.189 120.400 0.074 0.000 2.026 21 K HA -0.098 4.221 4.320 -0.001 0.000 0.208 21 K C 2.409 179.050 176.600 0.068 0.000 1.048 21 K CA 0.592 56.912 56.287 0.056 0.000 0.929 21 K CB -0.197 32.329 32.500 0.043 0.000 0.713 21 K HN 0.188 nan 8.250 nan 0.000 0.439 22 I N 0.188 120.823 120.570 0.108 0.000 2.127 22 I HA -0.331 3.838 4.170 -0.001 0.000 0.241 22 I C 2.557 178.759 176.117 0.141 0.000 1.075 22 I CA 1.599 62.982 61.300 0.139 0.000 1.334 22 I CB -0.448 37.691 38.000 0.231 0.000 1.040 22 I HN 0.251 nan 8.210 nan 0.000 0.405 23 H N 0.888 120.011 119.070 0.088 0.000 2.387 23 H HA -0.181 4.375 4.556 -0.001 0.000 0.299 23 H C 2.337 177.685 175.328 0.033 0.000 1.099 23 H CA 1.814 57.900 56.048 0.064 0.000 1.315 23 H CB 0.042 29.844 29.762 0.066 0.000 1.380 23 H HN 0.044 nan 8.280 nan 0.000 0.513 24 R N -0.478 120.069 120.500 0.078 0.000 2.083 24 R HA -0.114 4.225 4.340 -0.001 0.000 0.237 24 R C 2.487 178.757 176.300 -0.050 0.000 1.137 24 R CA 1.577 57.680 56.100 0.005 0.000 0.951 24 R CB -0.506 29.800 30.300 0.011 0.000 0.851 24 R HN 0.213 nan 8.270 nan 0.000 0.434 25 V N 0.937 120.790 119.914 -0.102 0.000 2.287 25 V HA -0.269 3.850 4.120 -0.001 0.000 0.248 25 V C 2.272 178.369 176.094 0.005 0.000 1.053 25 V CA 1.860 64.062 62.300 -0.163 0.000 1.027 25 V CB -0.584 31.003 31.823 -0.393 0.000 0.646 25 V HN 0.284 nan 8.190 nan 0.000 0.447 26 L N 0.083 121.269 121.223 -0.062 0.000 2.012 26 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 26 L C 2.541 179.337 176.870 -0.123 0.000 1.073 26 L CA 2.049 56.839 54.840 -0.084 0.000 0.748 26 L CB -0.693 41.294 42.059 -0.121 0.000 0.891 26 L HN 0.390 nan 8.230 nan 0.000 0.431 27 D N -0.722 119.563 120.400 -0.192 0.000 2.117 27 D HA -0.262 4.378 4.640 -0.001 0.000 0.197 27 D C 1.881 178.155 176.300 -0.043 0.000 0.987 27 D CA 1.134 55.038 54.000 -0.160 0.000 0.829 27 D CB -0.142 40.555 40.800 -0.172 0.000 0.961 27 D HN 0.385 nan 8.370 nan 0.000 0.460 28 W N 1.713 122.911 121.300 -0.170 0.000 2.332 28 W HA -0.185 4.475 4.660 -0.001 0.000 0.321 28 W C 2.336 178.787 176.519 -0.114 0.000 1.219 28 W CA 2.889 60.148 57.345 -0.143 0.000 1.277 28 W CB -0.870 28.478 29.460 -0.186 0.000 1.161 28 W HN -0.002 nan 8.180 nan 0.000 0.476 29 A N 0.856 123.467 122.820 -0.348 0.000 1.986 29 A HA -0.096 4.224 4.320 -0.001 0.000 0.220 29 A C 2.091 179.438 177.584 -0.396 0.000 1.171 29 A CA 2.681 54.352 52.037 -0.610 0.000 0.640 29 A CB -1.570 17.288 19.000 -0.236 0.000 0.811 29 A HN 0.604 nan 8.150 nan 0.000 0.451 30 A N -0.701 121.964 122.820 -0.259 0.000 2.119 30 A HA 0.131 4.450 4.320 -0.001 0.000 0.217 30 A C 0.967 178.410 177.584 -0.235 0.000 1.153 30 A CA 0.718 52.624 52.037 -0.219 0.000 0.692 30 A CB -0.279 18.616 19.000 -0.176 0.000 0.799 30 A HN 0.446 nan 8.150 nan 0.000 0.458 31 E N -0.314 119.734 120.200 -0.253 0.000 2.694 31 E HA 0.292 4.642 4.350 -0.001 0.000 0.250 31 E C 1.308 177.772 176.600 -0.227 0.000 0.963 31 E CA 1.206 57.477 56.400 -0.214 0.000 0.949 31 E CB -0.307 29.272 29.700 -0.201 0.000 0.911 31 E HN 0.753 nan 8.360 nan 0.000 0.500 32 G N 3.254 111.920 108.800 -0.224 0.000 2.234 32 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.260 32 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.260 32 G C 0.200 174.862 174.900 -0.397 0.000 0.987 32 G CA 0.344 45.290 45.100 -0.256 0.000 0.625 32 G HN 0.448 nan 8.290 nan 0.000 0.532 33 L N 0.174 121.173 121.223 -0.372 0.000 2.421 33 L HA 0.713 5.053 4.340 -0.001 0.000 0.263 33 L C 0.534 177.088 176.870 -0.527 0.000 1.122 33 L CA -1.004 53.624 54.840 -0.353 0.000 0.804 33 L CB 0.860 42.792 42.059 -0.211 0.000 1.150 33 L HN 0.209 nan 8.230 nan 0.000 0.457 34 H N 0.433 119.461 119.070 -0.071 0.000 2.572 34 H HA 0.331 4.887 4.556 -0.001 0.000 0.359 34 H C -0.214 175.057 175.328 -0.095 0.000 1.134 34 H CA -0.673 55.337 56.048 -0.063 0.000 1.187 34 H CB 1.220 30.970 29.762 -0.020 0.000 1.597 34 H HN 0.579 nan 8.280 nan 0.000 0.524 35 N N -0.404 118.311 118.700 0.025 0.000 2.776 35 N HA -0.165 4.574 4.740 -0.001 0.000 0.250 35 N C -1.087 174.327 175.510 -0.160 0.000 1.112 35 N CA 1.026 54.060 53.050 -0.026 0.000 0.733 35 N CB -0.965 37.533 38.487 0.019 0.000 1.097 35 N HN 0.375 nan 8.380 nan 0.000 0.558 36 V N -2.646 117.103 119.914 -0.274 0.000 2.459 36 V HA 0.809 4.929 4.120 -0.001 0.000 0.295 36 V C 0.423 176.414 176.094 -0.172 0.000 1.029 36 V CA -0.582 61.407 62.300 -0.518 0.000 0.874 36 V CB 2.103 33.475 31.823 -0.751 0.000 0.985 36 V HN 0.161 nan 8.190 nan 0.000 0.438 37 S N 4.491 120.205 115.700 0.022 0.000 2.422 37 S HA 0.518 4.987 4.470 -0.001 0.000 0.308 37 S C 0.808 175.446 174.600 0.064 0.000 1.097 37 S CA -0.746 57.487 58.200 0.055 0.000 1.099 37 S CB 0.701 63.953 63.200 0.086 0.000 0.976 37 S HN 0.724 nan 8.310 nan 0.000 0.471 38 I N 3.994 124.571 120.570 0.011 0.000 2.315 38 I HA -0.157 4.013 4.170 -0.001 0.000 0.248 38 I C 2.382 178.507 176.117 0.013 0.000 1.117 38 I CA 1.083 62.381 61.300 -0.003 0.000 1.404 38 I CB -0.392 37.575 38.000 -0.055 0.000 1.071 38 I HN 0.662 nan 8.210 nan 0.000 0.419 39 S N 0.292 116.007 115.700 0.026 0.000 2.356 39 S HA -0.260 4.209 4.470 -0.001 0.000 0.223 39 S C 1.896 176.476 174.600 -0.033 0.000 1.032 39 S CA 1.032 59.233 58.200 0.002 0.000 1.005 39 S CB -0.452 62.754 63.200 0.008 0.000 0.867 39 S HN 0.337 nan 8.310 nan 0.000 0.449 40 Q N 1.382 121.180 119.800 -0.003 0.000 2.112 40 Q HA -0.062 4.278 4.340 -0.001 0.000 0.206 40 Q C 2.195 178.164 176.000 -0.051 0.000 0.987 40 Q CA 1.544 57.337 55.803 -0.017 0.000 0.858 40 Q CB -0.927 27.826 28.738 0.026 0.000 0.905 40 Q HN 0.488 nan 8.270 nan 0.000 0.420 41 V N 0.501 120.399 119.914 -0.026 0.000 2.427 41 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 41 V C 1.989 178.010 176.094 -0.122 0.000 1.051 41 V CA 1.981 64.249 62.300 -0.053 0.000 1.048 41 V CB -0.534 31.293 31.823 0.006 0.000 0.666 41 V HN 0.397 nan 8.190 nan 0.000 0.456 42 E N 0.260 120.355 120.200 -0.174 0.000 2.072 42 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 42 E C 2.282 178.594 176.600 -0.479 0.000 0.985 42 E CA 1.097 57.238 56.400 -0.431 0.000 0.801 42 E CB -0.214 29.221 29.700 -0.440 0.000 0.750 42 E HN 0.478 nan 8.360 nan 0.000 0.452 43 L N 0.782 121.850 121.223 -0.259 0.000 1.990 43 L HA -0.231 4.108 4.340 -0.001 0.000 0.213 43 L C 2.611 179.385 176.870 -0.160 0.000 1.072 43 L CA 1.475 56.209 54.840 -0.177 0.000 0.755 43 L CB -0.411 41.586 42.059 -0.103 0.000 0.889 43 L HN 0.066 nan 8.230 nan 0.000 0.432 44 R N -0.416 119.998 120.500 -0.142 0.000 2.152 44 R HA -0.112 4.228 4.340 -0.001 0.000 0.232 44 R C 2.351 178.564 176.300 -0.145 0.000 1.117 44 R CA 1.577 57.603 56.100 -0.122 0.000 0.981 44 R CB -0.249 29.987 30.300 -0.106 0.000 0.870 44 R HN 0.509 nan 8.270 nan 0.000 0.451 45 S N -0.995 114.586 115.700 -0.198 0.000 2.468 45 S HA 0.019 4.489 4.470 -0.001 0.000 0.226 45 S C 1.616 175.814 174.600 -0.670 0.000 1.051 45 S CA 0.038 58.083 58.200 -0.259 0.000 0.943 45 S CB -0.347 62.796 63.200 -0.095 0.000 0.810 45 S HN 0.411 nan 8.310 nan 0.000 0.509 46 H N 0.761 119.363 119.070 -0.781 0.000 2.387 46 H HA 0.013 4.568 4.556 -0.001 0.000 0.299 46 H C 2.006 176.979 175.328 -0.593 0.000 1.099 46 H CA 1.304 56.776 56.048 -0.960 0.000 1.315 46 H CB -0.138 29.405 29.762 -0.365 0.000 1.380 46 H HN 0.265 nan 8.280 nan 0.000 0.513 47 I N 1.512 121.965 120.570 -0.194 0.000 2.530 47 I HA -0.238 3.932 4.170 -0.001 0.000 0.257 47 I C 1.460 177.547 176.117 -0.049 0.000 1.179 47 I CA 1.472 62.720 61.300 -0.087 0.000 1.440 47 I CB -0.119 37.848 38.000 -0.056 0.000 1.087 47 I HN 0.257 nan 8.210 nan 0.000 0.440 48 Q N -0.795 118.947 119.800 -0.096 0.000 2.319 48 Q HA 0.116 4.455 4.340 -0.001 0.000 0.202 48 Q C -0.217 175.942 176.000 0.265 0.000 0.896 48 Q CA -0.229 55.619 55.803 0.075 0.000 0.942 48 Q CB 0.169 28.952 28.738 0.075 0.000 1.083 48 Q HN 0.214 nan 8.270 nan 0.000 0.510 49 F N 1.213 121.196 119.950 0.054 0.000 2.410 49 F HA 0.290 4.816 4.527 -0.001 0.000 0.334 49 F C 0.177 175.995 175.800 0.029 0.000 1.134 49 F CA -1.582 56.380 58.000 -0.064 0.000 1.227 49 F CB 0.091 39.022 39.000 -0.115 0.000 1.194 49 F HN -0.018 nan 8.300 nan 0.000 0.571 50 Y N -2.175 118.230 120.300 0.176 0.000 2.638 50 Y HA 0.434 4.983 4.550 -0.001 0.000 0.335 50 Y C -1.045 174.875 175.900 0.033 0.000 1.155 50 Y CA -2.037 56.113 58.100 0.084 0.000 1.046 50 Y CB 0.212 38.710 38.460 0.062 0.000 1.303 50 Y HN 0.332 nan 8.280 nan 0.000 0.460 51 D N 1.478 122.011 120.400 0.222 0.000 2.520 51 D HA 0.355 4.995 4.640 -0.001 0.000 0.243 51 D C 1.091 177.478 176.300 0.147 0.000 1.160 51 D CA 2.672 56.743 54.000 0.119 0.000 0.877 51 D CB 0.558 41.422 40.800 0.108 0.000 1.150 51 D HN 1.168 nan 8.370 nan 0.000 0.494 52 G N 3.257 112.065 108.800 0.013 0.000 2.149 52 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.235 52 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.235 52 G C 0.508 175.386 174.900 -0.036 0.000 1.018 52 G CA -0.020 45.088 45.100 0.014 0.000 0.728 52 G HN 0.614 nan 8.290 nan 0.000 0.508 53 I N 1.217 121.618 120.570 -0.281 0.000 2.496 53 I HA 0.392 4.562 4.170 -0.001 0.000 0.285 53 I C 1.149 177.104 176.117 -0.270 0.000 1.080 53 I CA -0.827 60.191 61.300 -0.471 0.000 1.404 53 I CB 0.289 37.720 38.000 -0.948 0.000 1.403 53 I HN 0.270 nan 8.210 nan 0.000 0.539 54 K N 4.650 124.954 120.400 -0.160 0.000 2.336 54 K HA 0.114 4.434 4.320 -0.001 0.000 0.262 54 K C 0.749 177.227 176.600 -0.204 0.000 0.992 54 K CA -0.439 55.768 56.287 -0.133 0.000 0.927 54 K CB 0.042 32.502 32.500 -0.067 0.000 0.956 54 K HN 0.567 nan 8.250 nan 0.000 0.495 55 T N 0.502 114.935 114.554 -0.202 0.000 2.821 55 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 55 T C 2.156 176.611 174.700 -0.408 0.000 1.046 55 T CA 1.784 63.704 62.100 -0.301 0.000 1.139 55 T CB -0.251 68.469 68.868 -0.246 0.000 0.871 55 T HN 0.814 nan 8.240 nan 0.000 0.454 56 S N 1.905 117.470 115.700 -0.226 0.000 2.383 56 S HA -0.196 4.274 4.470 -0.001 0.000 0.229 56 S C 1.660 176.185 174.600 -0.124 0.000 1.030 56 S CA 1.525 59.665 58.200 -0.100 0.000 1.002 56 S CB -0.539 62.708 63.200 0.077 0.000 0.829 56 S HN 0.314 nan 8.310 nan 0.000 0.467 57 D N 1.426 121.760 120.400 -0.109 0.000 2.178 57 D HA 0.073 4.712 4.640 -0.001 0.000 0.202 57 D C 1.821 178.080 176.300 -0.069 0.000 0.974 57 D CA 0.963 54.924 54.000 -0.066 0.000 0.841 57 D CB -0.353 40.417 40.800 -0.050 0.000 0.953 57 D HN 0.520 nan 8.370 nan 0.000 0.478 58 I N 0.029 120.493 120.570 -0.176 0.000 2.252 58 I HA -0.247 3.922 4.170 -0.001 0.000 0.245 58 I C 2.091 178.271 176.117 0.104 0.000 1.102 58 I CA 1.082 62.298 61.300 -0.140 0.000 1.385 58 I CB -0.307 37.472 38.000 -0.367 0.000 1.064 58 I HN 0.167 nan 8.210 nan 0.000 0.414 59 H N 0.542 119.584 119.070 -0.047 0.000 2.321 59 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 59 H C 2.157 177.413 175.328 -0.120 0.000 1.087 59 H CA 1.019 57.026 56.048 -0.069 0.000 1.319 59 H CB 0.151 29.804 29.762 -0.182 0.000 1.379 59 H HN 0.328 nan 8.280 nan 0.000 0.501 60 E N 0.299 120.474 120.200 -0.041 0.000 2.077 60 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 60 E C 2.230 178.863 176.600 0.054 0.000 0.989 60 E CA 1.303 57.690 56.400 -0.022 0.000 0.800 60 E CB -0.312 29.377 29.700 -0.018 0.000 0.746 60 E HN 0.464 nan 8.360 nan 0.000 0.452 61 T N 2.634 117.249 114.554 0.103 0.000 2.708 61 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 61 T C 2.233 177.003 174.700 0.117 0.000 1.037 61 T CA 1.584 63.768 62.100 0.140 0.000 1.146 61 T CB -0.378 68.654 68.868 0.273 0.000 0.865 61 T HN 0.359 nan 8.240 nan 0.000 0.435 62 I N -0.526 120.139 120.570 0.158 0.000 2.394 62 I HA -0.031 4.139 4.170 -0.001 0.000 0.251 62 I C 2.193 178.333 176.117 0.039 0.000 1.136 62 I CA 1.340 62.706 61.300 0.110 0.000 1.425 62 I CB -0.691 37.403 38.000 0.158 0.000 1.079 62 I HN 0.143 nan 8.210 nan 0.000 0.425 63 I N 1.725 122.319 120.570 0.039 0.000 2.127 63 I HA -0.295 3.874 4.170 -0.001 0.000 0.241 63 I C 2.807 178.857 176.117 -0.111 0.000 1.075 63 I CA 1.927 63.220 61.300 -0.013 0.000 1.334 63 I CB -0.435 37.599 38.000 0.057 0.000 1.040 63 I HN 0.234 nan 8.210 nan 0.000 0.405 64 K N 1.080 121.450 120.400 -0.049 0.000 2.097 64 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 64 K C 2.167 178.703 176.600 -0.107 0.000 1.049 64 K CA 1.380 57.624 56.287 -0.071 0.000 0.933 64 K CB -0.134 32.365 32.500 -0.001 0.000 0.717 64 K HN 0.313 nan 8.250 nan 0.000 0.442 65 A N 1.108 123.882 122.820 -0.077 0.000 1.865 65 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 65 A C 2.379 179.865 177.584 -0.164 0.000 1.191 65 A CA 2.157 54.133 52.037 -0.102 0.000 0.623 65 A CB -1.123 17.835 19.000 -0.070 0.000 0.826 65 A HN 0.486 nan 8.150 nan 0.000 0.444 66 A N -0.296 122.440 122.820 -0.141 0.000 1.877 66 A HA 0.133 4.453 4.320 -0.001 0.000 0.216 66 A C 2.545 179.972 177.584 -0.262 0.000 1.186 66 A CA 2.336 54.285 52.037 -0.146 0.000 0.620 66 A CB -1.155 17.828 19.000 -0.029 0.000 0.822 66 A HN 1.189 nan 8.150 nan 0.000 0.443 67 A N 0.049 122.665 122.820 -0.341 0.000 1.908 67 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 67 A C 1.700 179.139 177.584 -0.242 0.000 1.181 67 A CA 2.020 53.811 52.037 -0.410 0.000 0.627 67 A CB -0.686 17.956 19.000 -0.595 0.000 0.818 67 A HN 0.456 nan 8.150 nan 0.000 0.445 68 D N -0.313 119.960 120.400 -0.211 0.000 2.309 68 D HA -0.047 4.593 4.640 -0.001 0.000 0.212 68 D C 1.446 177.601 176.300 -0.242 0.000 0.968 68 D CA 0.717 54.612 54.000 -0.174 0.000 0.882 68 D CB -0.169 40.549 40.800 -0.137 0.000 0.918 68 D HN 0.493 nan 8.370 nan 0.000 0.503 69 L N 0.380 121.359 121.223 -0.407 0.000 2.592 69 L HA 0.184 4.523 4.340 -0.001 0.000 0.227 69 L C 0.703 177.322 176.870 -0.419 0.000 1.127 69 L CA -0.222 54.270 54.840 -0.579 0.000 0.884 69 L CB 0.116 41.434 42.059 -1.234 0.000 1.065 69 L HN -0.130 nan 8.230 nan 0.000 0.457 70 I N 0.772 121.210 120.570 -0.220 0.000 2.683 70 I HA -0.043 4.127 4.170 -0.001 0.000 0.286 70 I C 0.701 176.786 176.117 -0.052 0.000 1.175 70 I CA 0.652 61.920 61.300 -0.053 0.000 1.429 70 I CB 0.368 38.345 38.000 -0.038 0.000 1.371 70 I HN 0.250 nan 8.210 nan 0.000 0.569 71 S N 5.548 121.238 115.700 -0.016 0.000 2.636 71 S HA 0.424 4.894 4.470 -0.001 0.000 0.268 71 S C 0.521 175.061 174.600 -0.099 0.000 1.159 71 S CA -1.136 57.030 58.200 -0.057 0.000 0.815 71 S CB 1.525 64.699 63.200 -0.043 0.000 1.130 71 S HN 0.659 nan 8.310 nan 0.000 0.471 72 R N 0.729 121.112 120.500 -0.195 0.000 2.115 72 R HA 0.002 4.342 4.340 -0.001 0.000 0.230 72 R C 0.571 176.774 176.300 -0.160 0.000 1.111 72 R CA 1.490 57.343 56.100 -0.412 0.000 0.976 72 R CB -0.807 29.094 30.300 -0.665 0.000 0.870 72 R HN 0.646 nan 8.270 nan 0.000 0.445 73 D N 1.309 121.677 120.400 -0.053 0.000 2.224 73 D HA -0.019 4.621 4.640 -0.001 0.000 0.205 73 D C 0.351 176.690 176.300 0.064 0.000 0.965 73 D CA 1.170 55.184 54.000 0.024 0.000 0.852 73 D CB 0.273 41.082 40.800 0.015 0.000 0.947 73 D HN 0.323 nan 8.370 nan 0.000 0.494 74 A N 1.115 123.986 122.820 0.084 0.000 3.127 74 A HA 0.355 4.675 4.320 -0.001 0.000 0.319 74 A C -2.039 175.632 177.584 0.145 0.000 1.104 74 A CA -0.924 51.192 52.037 0.133 0.000 0.802 74 A CB 1.117 20.263 19.000 0.242 0.000 1.193 74 A HN -0.166 nan 8.150 nan 0.000 0.479 75 P HA -0.056 nan 4.420 nan 0.000 0.226 75 P C 0.358 177.697 177.300 0.065 0.000 1.153 75 P CA 1.020 64.161 63.100 0.070 0.000 0.777 75 P CB 0.324 32.079 31.700 0.093 0.000 0.794 76 D N -1.691 118.751 120.400 0.071 0.000 2.371 76 D HA -0.092 4.547 4.640 -0.001 0.000 0.221 76 D C 1.402 177.683 176.300 -0.031 0.000 0.986 76 D CA 0.603 54.651 54.000 0.079 0.000 0.899 76 D CB -0.663 40.157 40.800 0.033 0.000 0.902 76 D HN 0.175 nan 8.370 nan 0.000 0.530 77 Y N 0.966 121.254 120.300 -0.019 0.000 2.352 77 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 77 Y C 2.361 178.194 175.900 -0.112 0.000 1.136 77 Y CA 0.859 58.920 58.100 -0.064 0.000 1.227 77 Y CB -0.170 38.242 38.460 -0.080 0.000 0.991 77 Y HN 0.048 nan 8.280 nan 0.000 0.545 78 Q N -1.156 118.620 119.800 -0.039 0.000 2.077 78 Q HA -0.259 4.080 4.340 -0.001 0.000 0.206 78 Q C 1.689 177.540 176.000 -0.249 0.000 0.989 78 Q CA 2.178 57.856 55.803 -0.207 0.000 0.853 78 Q CB -0.344 28.099 28.738 -0.492 0.000 0.907 78 Q HN 0.568 nan 8.270 nan 0.000 0.418 79 Y N -0.478 119.861 120.300 0.064 0.000 2.286 79 Y HA -0.137 4.413 4.550 -0.000 0.000 0.293 79 Y C 1.956 177.859 175.900 0.004 0.000 1.124 79 Y CA 0.456 58.581 58.100 0.042 0.000 1.178 79 Y CB -0.435 38.022 38.460 -0.004 0.000 1.010 79 Y HN 0.120 nan 8.280 nan 0.000 0.536 80 L N 0.413 121.686 121.223 0.083 0.000 2.012 80 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 80 L C 2.382 179.274 176.870 0.036 0.000 1.073 80 L CA 2.088 56.939 54.840 0.018 0.000 0.748 80 L CB -0.960 41.101 42.059 0.003 0.000 0.891 80 L HN 0.152 nan 8.230 nan 0.000 0.431 81 A N -0.735 122.092 122.820 0.011 0.000 1.898 81 A HA -0.059 4.261 4.320 -0.001 0.000 0.216 81 A C 2.440 180.098 177.584 0.124 0.000 1.181 81 A CA 1.676 53.664 52.037 -0.082 0.000 0.620 81 A CB -1.142 17.580 19.000 -0.464 0.000 0.819 81 A HN 0.575 nan 8.150 nan 0.000 0.442 82 A N 0.154 123.115 122.820 0.234 0.000 1.877 82 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 82 A C 2.249 180.015 177.584 0.303 0.000 1.186 82 A CA 1.598 53.839 52.037 0.340 0.000 0.620 82 A CB -0.528 18.669 19.000 0.327 0.000 0.822 82 A HN 0.563 nan 8.150 nan 0.000 0.443 83 R N -0.492 120.143 120.500 0.225 0.000 2.083 83 R HA -0.108 4.232 4.340 -0.001 0.000 0.237 83 R C 2.130 178.643 176.300 0.355 0.000 1.137 83 R CA 1.597 57.819 56.100 0.203 0.000 0.951 83 R CB -0.728 29.497 30.300 -0.125 0.000 0.851 83 R HN 0.508 nan 8.270 nan 0.000 0.434 84 L N 0.458 121.836 121.223 0.258 0.000 2.012 84 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 84 L C 2.783 179.870 176.870 0.362 0.000 1.073 84 L CA 1.453 56.467 54.840 0.290 0.000 0.748 84 L CB -0.683 41.463 42.059 0.145 0.000 0.891 84 L HN 0.282 nan 8.230 nan 0.000 0.431 85 A N 0.013 123.033 122.820 0.333 0.000 1.902 85 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 85 A C 2.209 179.996 177.584 0.339 0.000 1.181 85 A CA 1.428 53.675 52.037 0.351 0.000 0.623 85 A CB -0.516 18.703 19.000 0.366 0.000 0.818 85 A HN 0.276 nan 8.150 nan 0.000 0.443 86 I N -1.409 119.376 120.570 0.358 0.000 2.179 86 I HA -0.210 3.960 4.170 -0.001 0.000 0.242 86 I C 2.330 178.662 176.117 0.360 0.000 1.088 86 I CA 1.360 62.858 61.300 0.330 0.000 1.357 86 I CB -1.394 36.845 38.000 0.398 0.000 1.051 86 I HN 0.475 nan 8.210 nan 0.000 0.409 87 F N 1.622 121.808 119.950 0.393 0.000 2.091 87 F HA -0.330 4.196 4.527 -0.001 0.000 0.299 87 F C 2.866 178.785 175.800 0.199 0.000 1.103 87 F CA 2.428 60.652 58.000 0.375 0.000 1.228 87 F CB -0.567 38.626 39.000 0.321 0.000 0.984 87 F HN 0.221 nan 8.300 nan 0.000 0.477 88 H N -0.074 119.106 119.070 0.183 0.000 2.423 88 H HA -0.077 4.479 4.556 -0.001 0.000 0.297 88 H C 1.980 177.313 175.328 0.008 0.000 1.075 88 H CA 2.180 58.267 56.048 0.066 0.000 1.342 88 H CB -0.381 29.482 29.762 0.168 0.000 1.395 88 H HN 0.395 nan 8.280 nan 0.000 0.530 89 L N -0.459 120.698 121.223 -0.110 0.000 2.156 89 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 89 L C 2.660 179.362 176.870 -0.280 0.000 1.095 89 L CA 0.620 55.325 54.840 -0.224 0.000 0.770 89 L CB -0.227 41.774 42.059 -0.096 0.000 0.914 89 L HN 0.207 nan 8.230 nan 0.000 0.439 90 R N 0.508 120.873 120.500 -0.225 0.000 2.070 90 R HA -0.167 4.173 4.340 -0.001 0.000 0.233 90 R C 2.233 178.372 176.300 -0.268 0.000 1.137 90 R CA 1.394 57.338 56.100 -0.260 0.000 0.945 90 R CB -0.474 29.658 30.300 -0.281 0.000 0.845 90 R HN 0.295 nan 8.270 nan 0.000 0.430 91 K N 0.726 120.952 120.400 -0.290 0.000 2.057 91 K HA -0.109 4.211 4.320 -0.001 0.000 0.207 91 K C 2.106 178.588 176.600 -0.197 0.000 1.049 91 K CA 1.173 57.333 56.287 -0.212 0.000 0.931 91 K CB -0.055 32.329 32.500 -0.193 0.000 0.714 91 K HN 0.014 nan 8.250 nan 0.000 0.440 92 K N -0.339 119.888 120.400 -0.289 0.000 2.211 92 K HA -0.136 4.183 4.320 -0.001 0.000 0.204 92 K C 1.671 178.104 176.600 -0.278 0.000 1.047 92 K CA 1.345 57.457 56.287 -0.292 0.000 0.935 92 K CB 0.069 32.321 32.500 -0.414 0.000 0.728 92 K HN 0.174 nan 8.250 nan 0.000 0.452 93 A N -0.835 121.750 122.820 -0.391 0.000 1.993 93 A HA 0.048 4.367 4.320 -0.001 0.000 0.207 93 A C 0.986 178.350 177.584 -0.367 0.000 1.224 93 A CA 0.222 51.972 52.037 -0.478 0.000 0.749 93 A CB 0.070 18.585 19.000 -0.808 0.000 0.884 93 A HN 0.246 nan 8.150 nan 0.000 0.467 94 Y N -1.098 119.169 120.300 -0.054 0.000 2.445 94 Y HA 0.403 4.953 4.550 -0.000 0.000 0.247 94 Y C 1.822 177.696 175.900 -0.043 0.000 1.129 94 Y CA -0.390 57.688 58.100 -0.036 0.000 1.251 94 Y CB 0.026 38.442 38.460 -0.073 0.000 1.176 94 Y HN 0.400 nan 8.280 nan 0.000 0.522 95 G N 0.779 109.602 108.800 0.040 0.000 2.184 95 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.264 95 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.264 95 G C 0.044 174.954 174.900 0.017 0.000 0.975 95 G CA 0.628 45.738 45.100 0.016 0.000 0.642 95 G HN 0.494 nan 8.290 nan 0.000 0.536 96 Q N -2.562 117.255 119.800 0.028 0.000 2.630 96 Q HA 0.700 5.039 4.340 -0.001 0.000 0.295 96 Q C 0.462 176.475 176.000 0.021 0.000 0.944 96 Q CA -0.831 54.986 55.803 0.024 0.000 0.766 96 Q CB 0.390 29.151 28.738 0.039 0.000 1.471 96 Q HN 0.359 nan 8.270 nan 0.000 0.416 97 F N 0.918 120.781 119.950 -0.144 0.000 2.163 97 F HA 0.088 4.615 4.527 -0.001 0.000 0.297 97 F C 0.545 176.291 175.800 -0.091 0.000 1.094 97 F CA 1.074 58.973 58.000 -0.169 0.000 1.290 97 F CB 0.505 39.407 39.000 -0.165 0.000 1.017 97 F HN 0.507 nan 8.300 nan 0.000 0.483 98 E N 3.198 123.384 120.200 -0.023 0.000 2.299 98 E HA 0.114 4.463 4.350 -0.001 0.000 0.272 98 E C -2.247 174.163 176.600 -0.317 0.000 1.043 98 E CA -1.903 54.398 56.400 -0.165 0.000 0.895 98 E CB 0.281 29.966 29.700 -0.025 0.000 1.011 98 E HN 0.104 nan 8.360 nan 0.000 0.432 99 P HA 0.116 nan 4.420 nan 0.000 0.271 99 P C -2.308 174.691 177.300 -0.501 0.000 1.218 99 P CA -1.168 61.367 63.100 -0.942 0.000 0.780 99 P CB -0.234 30.678 31.700 -1.313 0.000 0.901 100 P HA 0.076 nan 4.420 nan 0.000 0.272 100 P C -0.428 176.880 177.300 0.014 0.000 1.254 100 P CA -0.193 62.821 63.100 -0.145 0.000 0.795 100 P CB 0.220 31.862 31.700 -0.096 0.000 1.022 101 A N 0.316 123.151 122.820 0.025 0.000 2.407 101 A HA 0.103 4.423 4.320 -0.001 0.000 0.248 101 A C 1.374 178.975 177.584 0.028 0.000 1.082 101 A CA -0.432 51.648 52.037 0.071 0.000 0.785 101 A CB -0.526 18.510 19.000 0.059 0.000 1.020 101 A HN 0.622 nan 8.150 nan 0.000 0.489 102 L N 2.258 123.508 121.223 0.046 0.000 1.990 102 L HA -0.226 4.113 4.340 -0.001 0.000 0.213 102 L C 2.045 178.816 176.870 -0.165 0.000 1.072 102 L CA 2.684 57.448 54.840 -0.127 0.000 0.755 102 L CB -1.088 40.993 42.059 0.037 0.000 0.889 102 L HN 0.869 nan 8.230 nan 0.000 0.432 103 Y N 0.760 120.944 120.300 -0.192 0.000 2.128 103 Y HA -0.293 4.256 4.550 -0.001 0.000 0.284 103 Y C 2.384 178.115 175.900 -0.282 0.000 1.154 103 Y CA 2.234 60.141 58.100 -0.321 0.000 1.149 103 Y CB -0.536 37.833 38.460 -0.152 0.000 0.976 103 Y HN 0.409 nan 8.280 nan 0.000 0.505 104 D N -1.487 118.788 120.400 -0.208 0.000 2.117 104 D HA -0.234 4.406 4.640 -0.001 0.000 0.197 104 D C 1.974 178.111 176.300 -0.272 0.000 0.987 104 D CA 1.899 55.752 54.000 -0.245 0.000 0.829 104 D CB -0.659 40.090 40.800 -0.085 0.000 0.961 104 D HN 0.527 nan 8.370 nan 0.000 0.460 105 H N 1.252 120.129 119.070 -0.322 0.000 2.290 105 H HA -0.100 4.455 4.556 -0.001 0.000 0.298 105 H C 2.074 177.194 175.328 -0.346 0.000 1.087 105 H CA 1.691 57.543 56.048 -0.326 0.000 1.291 105 H CB -0.350 29.111 29.762 -0.502 0.000 1.369 105 H HN -0.124 nan 8.280 nan 0.000 0.492 106 V N -0.192 119.434 119.914 -0.480 0.000 2.332 106 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 106 V C 2.677 178.487 176.094 -0.474 0.000 1.055 106 V CA 1.557 63.601 62.300 -0.427 0.000 1.038 106 V CB -0.667 30.838 31.823 -0.530 0.000 0.651 106 V HN 0.347 nan 8.190 nan 0.000 0.450 107 V N 0.046 119.602 119.914 -0.597 0.000 2.255 107 V HA -0.343 3.777 4.120 -0.001 0.000 0.247 107 V C 2.447 178.321 176.094 -0.367 0.000 1.051 107 V CA 2.589 64.590 62.300 -0.498 0.000 1.018 107 V CB -0.689 30.780 31.823 -0.589 0.000 0.641 107 V HN 0.592 nan 8.190 nan 0.000 0.445 108 K N -0.627 119.551 120.400 -0.370 0.000 2.063 108 K HA -0.209 4.111 4.320 -0.001 0.000 0.208 108 K C 2.174 178.540 176.600 -0.391 0.000 1.048 108 K CA 1.720 57.816 56.287 -0.318 0.000 0.928 108 K CB -0.144 32.197 32.500 -0.266 0.000 0.713 108 K HN 0.248 nan 8.250 nan 0.000 0.442 109 M N 0.513 119.777 119.600 -0.560 0.000 2.229 109 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 109 M C 2.169 178.208 176.300 -0.435 0.000 1.063 109 M CA 0.954 55.836 55.300 -0.696 0.000 1.114 109 M CB -0.446 31.334 32.600 -1.368 0.000 1.387 109 M HN 0.029 nan 8.290 nan 0.000 0.420 110 V N -0.074 119.667 119.914 -0.288 0.000 2.453 110 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 110 V C 2.195 178.199 176.094 -0.150 0.000 1.048 110 V CA 1.532 63.743 62.300 -0.150 0.000 1.049 110 V CB -0.654 31.105 31.823 -0.106 0.000 0.672 110 V HN 0.436 nan 8.190 nan 0.000 0.457 111 E N -0.482 119.609 120.200 -0.182 0.000 2.204 111 E HA -0.122 4.227 4.350 -0.001 0.000 0.194 111 E C 2.093 178.601 176.600 -0.153 0.000 0.989 111 E CA 1.016 57.327 56.400 -0.148 0.000 0.824 111 E CB -0.065 29.544 29.700 -0.152 0.000 0.756 111 E HN 0.517 nan 8.360 nan 0.000 0.477 112 M N -1.375 118.099 119.600 -0.210 0.000 2.556 112 M HA 0.120 4.600 4.480 -0.001 0.000 0.245 112 M C 1.041 177.229 176.300 -0.187 0.000 1.128 112 M CA 0.679 55.846 55.300 -0.221 0.000 1.069 112 M CB 0.863 33.258 32.600 -0.340 0.000 1.469 112 M HN 0.269 nan 8.290 nan 0.000 0.494 113 G N 0.792 109.500 108.800 -0.153 0.000 2.136 113 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.242 113 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.242 113 G C 0.857 175.704 174.900 -0.088 0.000 0.989 113 G CA 0.167 45.209 45.100 -0.096 0.000 0.682 113 G HN 0.349 nan 8.290 nan 0.000 0.522 114 K N -1.220 119.085 120.400 -0.159 0.000 2.334 114 K HA 0.230 4.550 4.320 -0.001 0.000 0.195 114 K C 0.256 176.897 176.600 0.069 0.000 1.045 114 K CA 0.464 56.676 56.287 -0.124 0.000 1.004 114 K CB 0.495 32.789 32.500 -0.344 0.000 0.837 114 K HN 0.410 nan 8.250 nan 0.000 0.510 115 Y N 1.026 121.268 120.300 -0.097 0.000 2.549 115 Y HA 0.225 4.774 4.550 -0.001 0.000 0.339 115 Y C 0.373 176.237 175.900 -0.060 0.000 1.053 115 Y CA -2.511 55.547 58.100 -0.070 0.000 1.105 115 Y CB 0.745 39.134 38.460 -0.117 0.000 1.258 115 Y HN -0.068 nan 8.280 nan 0.000 0.478 116 D N 1.183 121.646 120.400 0.104 0.000 2.399 116 D HA -0.067 4.572 4.640 -0.001 0.000 0.241 116 D C 0.718 177.011 176.300 -0.012 0.000 1.133 116 D CA 0.142 54.164 54.000 0.036 0.000 0.890 116 D CB 0.873 41.692 40.800 0.032 0.000 1.201 116 D HN 0.702 nan 8.370 nan 0.000 0.432 117 N N 2.219 120.938 118.700 0.032 0.000 2.457 117 N HA -0.209 4.530 4.740 -0.001 0.000 0.180 117 N C 1.489 177.051 175.510 0.086 0.000 1.050 117 N CA 1.210 54.286 53.050 0.042 0.000 0.906 117 N CB -0.705 37.809 38.487 0.046 0.000 0.968 117 N HN 0.623 nan 8.380 nan 0.000 0.445 118 H N 0.347 119.491 119.070 0.122 0.000 2.421 118 H HA 0.052 4.608 4.556 -0.001 0.000 0.298 118 H C 1.871 177.318 175.328 0.198 0.000 1.087 118 H CA 1.039 57.171 56.048 0.140 0.000 1.330 118 H CB -0.689 29.159 29.762 0.143 0.000 1.388 118 H HN 0.150 nan 8.280 nan 0.000 0.526 119 L N -0.055 121.068 121.223 -0.168 0.000 2.013 119 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 119 L C 2.493 179.623 176.870 0.432 0.000 1.073 119 L CA 1.618 56.548 54.840 0.150 0.000 0.753 119 L CB -0.388 41.713 42.059 0.070 0.000 0.890 119 L HN 0.357 nan 8.230 nan 0.000 0.432 120 L N -1.057 120.339 121.223 0.288 0.000 2.291 120 L HA -0.153 4.187 4.340 -0.001 0.000 0.214 120 L C 2.365 179.405 176.870 0.283 0.000 1.120 120 L CA 0.868 55.899 54.840 0.319 0.000 0.799 120 L CB -0.350 41.797 42.059 0.146 0.000 0.925 120 L HN 0.320 nan 8.230 nan 0.000 0.446 121 E N -0.278 120.059 120.200 0.228 0.000 2.086 121 E HA -0.142 4.207 4.350 -0.001 0.000 0.190 121 E C 1.415 178.100 176.600 0.141 0.000 0.975 121 E CA 0.713 57.214 56.400 0.169 0.000 0.813 121 E CB 0.060 29.848 29.700 0.146 0.000 0.768 121 E HN 0.448 nan 8.360 nan 0.000 0.457 122 D N -0.340 120.164 120.400 0.175 0.000 2.224 122 D HA -0.046 4.594 4.640 -0.001 0.000 0.205 122 D C -0.121 176.030 176.300 -0.248 0.000 0.965 122 D CA 1.056 55.052 54.000 -0.006 0.000 0.852 122 D CB 0.315 41.170 40.800 0.092 0.000 0.947 122 D HN 0.088 nan 8.370 nan 0.000 0.494 123 Y N -0.388 119.942 120.300 0.049 0.000 2.499 123 Y HA 0.200 4.750 4.550 -0.001 0.000 0.347 123 Y C 0.793 176.709 175.900 0.027 0.000 0.987 123 Y CA -1.046 56.985 58.100 -0.115 0.000 1.044 123 Y CB 1.708 39.814 38.460 -0.589 0.000 1.245 123 Y HN -0.310 nan 8.280 nan 0.000 0.461 124 T N -2.675 111.959 114.554 0.134 0.000 2.881 124 T HA 0.177 4.526 4.350 -0.001 0.000 0.278 124 T C 1.006 175.818 174.700 0.186 0.000 0.982 124 T CA -0.502 61.685 62.100 0.145 0.000 0.989 124 T CB 1.437 70.336 68.868 0.050 0.000 1.058 124 T HN 0.879 nan 8.240 nan 0.000 0.529 125 E N 0.204 120.431 120.200 0.045 0.000 2.153 125 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 125 E C 1.590 178.091 176.600 -0.164 0.000 0.988 125 E CA 1.442 57.667 56.400 -0.291 0.000 0.811 125 E CB -0.087 29.181 29.700 -0.720 0.000 0.746 125 E HN 0.801 nan 8.360 nan 0.000 0.466 126 E N 0.772 120.917 120.200 -0.092 0.000 2.106 126 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 126 E C 1.907 178.473 176.600 -0.057 0.000 0.984 126 E CA 1.330 57.687 56.400 -0.072 0.000 0.806 126 E CB -0.027 29.642 29.700 -0.053 0.000 0.750 126 E HN 0.367 nan 8.360 nan 0.000 0.458 127 E N -0.311 119.864 120.200 -0.041 0.000 2.072 127 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 127 E C 1.621 178.121 176.600 -0.167 0.000 0.985 127 E CA 0.718 57.069 56.400 -0.081 0.000 0.801 127 E CB -0.147 29.544 29.700 -0.016 0.000 0.750 127 E HN 0.219 nan 8.360 nan 0.000 0.452 128 F N 1.524 121.447 119.950 -0.046 0.000 2.171 128 F HA -0.130 4.396 4.527 -0.001 0.000 0.300 128 F C 2.202 177.937 175.800 -0.109 0.000 1.090 128 F CA 1.093 59.056 58.000 -0.062 0.000 1.293 128 F CB -0.088 38.968 39.000 0.093 0.000 1.013 128 F HN -0.135 nan 8.300 nan 0.000 0.486 129 K N -0.238 120.188 120.400 0.043 0.000 2.097 129 K HA -0.197 4.123 4.320 -0.001 0.000 0.205 129 K C 2.085 178.602 176.600 -0.139 0.000 1.050 129 K CA 1.195 57.460 56.287 -0.037 0.000 0.938 129 K CB -0.286 32.178 32.500 -0.060 0.000 0.718 129 K HN 0.379 nan 8.250 nan 0.000 0.442 130 Q N 0.293 119.969 119.800 -0.206 0.000 2.079 130 Q HA -0.042 4.298 4.340 -0.001 0.000 0.200 130 Q C 2.166 177.690 176.000 -0.793 0.000 0.974 130 Q CA 1.209 56.784 55.803 -0.380 0.000 0.840 130 Q CB 0.078 28.644 28.738 -0.288 0.000 0.898 130 Q HN 0.289 nan 8.270 nan 0.000 0.430 131 M N 0.341 119.560 119.600 -0.634 0.000 2.108 131 M HA -0.210 4.269 4.480 -0.001 0.000 0.261 131 M C 1.689 177.719 176.300 -0.450 0.000 1.066 131 M CA 1.190 56.093 55.300 -0.663 0.000 1.107 131 M CB -0.285 32.158 32.600 -0.262 0.000 1.356 131 M HN 0.161 nan 8.290 nan 0.000 0.406 132 D N 0.056 120.321 120.400 -0.226 0.000 2.182 132 D HA -0.152 4.488 4.640 -0.001 0.000 0.201 132 D C 1.903 178.128 176.300 -0.124 0.000 0.986 132 D CA 1.935 55.881 54.000 -0.089 0.000 0.847 132 D CB -0.045 40.755 40.800 0.001 0.000 0.942 132 D HN 0.440 nan 8.370 nan 0.000 0.467 133 T N -2.292 112.127 114.554 -0.226 0.000 3.072 133 T HA -0.082 4.267 4.350 -0.001 0.000 0.266 133 T C 1.782 176.481 174.700 -0.002 0.000 1.127 133 T CA 0.400 62.425 62.100 -0.125 0.000 1.107 133 T CB -0.404 68.385 68.868 -0.132 0.000 0.910 133 T HN -0.076 nan 8.240 nan 0.000 0.513 134 F N 1.510 121.402 119.950 -0.096 0.000 2.219 134 F HA 0.457 4.983 4.527 -0.001 0.000 0.294 134 F C 1.366 177.057 175.800 -0.182 0.000 1.086 134 F CA -1.799 56.125 58.000 -0.126 0.000 1.330 134 F CB -0.880 38.002 39.000 -0.196 0.000 1.047 134 F HN 0.156 nan 8.300 nan 0.000 0.495 135 I N 1.712 122.205 120.570 -0.129 0.000 2.880 135 I HA -0.143 4.027 4.170 -0.001 0.000 0.296 135 I C 0.024 176.085 176.117 -0.093 0.000 1.220 135 I CA 0.713 61.852 61.300 -0.269 0.000 1.435 135 I CB 0.054 37.856 38.000 -0.329 0.000 1.339 135 I HN 0.003 nan 8.210 nan 0.000 0.583 136 D N 5.389 125.788 120.400 -0.001 0.000 2.420 136 D HA 0.167 4.807 4.640 -0.001 0.000 0.255 136 D C 0.804 177.086 176.300 -0.031 0.000 1.185 136 D CA -0.381 53.623 54.000 0.006 0.000 0.904 136 D CB 0.543 41.383 40.800 0.066 0.000 1.102 136 D HN 0.390 nan 8.370 nan 0.000 0.534 137 H N 1.737 120.838 119.070 0.052 0.000 2.521 137 H HA -0.052 4.503 4.556 -0.001 0.000 0.286 137 H C 0.442 175.811 175.328 0.069 0.000 1.034 137 H CA 0.771 56.826 56.048 0.012 0.000 1.278 137 H CB 0.471 30.182 29.762 -0.086 0.000 1.386 137 H HN 0.459 nan 8.280 nan 0.000 0.567 138 D N 0.386 120.901 120.400 0.190 0.000 2.350 138 D HA -0.068 4.572 4.640 -0.001 0.000 0.216 138 D C 1.982 178.349 176.300 0.112 0.000 0.968 138 D CA 0.292 54.401 54.000 0.182 0.000 0.894 138 D CB -0.023 40.870 40.800 0.155 0.000 0.909 138 D HN 0.356 nan 8.370 nan 0.000 0.520 139 R N 0.542 121.076 120.500 0.056 0.000 2.237 139 R HA -0.063 4.276 4.340 -0.001 0.000 0.219 139 R C 0.846 177.124 176.300 -0.036 0.000 1.080 139 R CA 0.616 56.684 56.100 -0.054 0.000 0.995 139 R CB -0.064 30.150 30.300 -0.144 0.000 0.875 139 R HN 0.193 nan 8.270 nan 0.000 0.462 140 D N 0.764 121.257 120.400 0.155 0.000 2.263 140 D HA -0.119 4.521 4.640 -0.001 0.000 0.208 140 D C 1.321 177.825 176.300 0.340 0.000 0.971 140 D CA 1.000 55.209 54.000 0.349 0.000 0.867 140 D CB 0.013 41.044 40.800 0.385 0.000 0.929 140 D HN 0.037 nan 8.370 nan 0.000 0.492 141 M N 0.077 119.811 119.600 0.223 0.000 2.686 141 M HA -0.020 4.459 4.480 -0.001 0.000 0.246 141 M C 1.365 177.721 176.300 0.094 0.000 1.096 141 M CA 0.666 56.071 55.300 0.175 0.000 1.076 141 M CB -0.316 32.351 32.600 0.113 0.000 1.504 141 M HN -0.013 nan 8.290 nan 0.000 0.524 142 T N -3.508 111.074 114.554 0.047 0.000 3.054 142 T HA 0.251 4.601 4.350 -0.001 0.000 0.255 142 T C 0.367 175.167 174.700 0.167 0.000 1.035 142 T CA -0.392 61.715 62.100 0.011 0.000 0.941 142 T CB -0.229 68.611 68.868 -0.047 0.000 1.026 142 T HN -0.030 nan 8.240 nan 0.000 0.533 143 F N 3.551 123.705 119.950 0.340 0.000 2.403 143 F HA 0.546 5.073 4.527 -0.001 0.000 0.320 143 F C 1.304 177.298 175.800 0.324 0.000 1.176 143 F CA -0.835 57.344 58.000 0.299 0.000 1.206 143 F CB 0.844 39.989 39.000 0.243 0.000 1.235 143 F HN 0.197 nan 8.300 nan 0.000 0.565 144 S N 0.567 116.491 115.700 0.375 0.000 2.722 144 S HA 0.247 4.717 4.470 -0.001 0.000 0.292 144 S C 0.581 175.244 174.600 0.104 0.000 1.135 144 S CA -0.607 57.638 58.200 0.074 0.000 1.003 144 S CB 0.746 63.886 63.200 -0.100 0.000 1.067 144 S HN 0.613 nan 8.310 nan 0.000 0.546 145 Y N 1.632 121.887 120.300 -0.075 0.000 2.114 145 Y HA -0.135 4.415 4.550 -0.001 0.000 0.282 145 Y C 2.564 178.441 175.900 -0.038 0.000 1.165 145 Y CA 2.058 60.141 58.100 -0.028 0.000 1.148 145 Y CB -1.131 37.306 38.460 -0.037 0.000 0.972 145 Y HN 0.852 nan 8.280 nan 0.000 0.504 146 A N 0.196 122.946 122.820 -0.116 0.000 1.933 146 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 146 A C 2.478 179.932 177.584 -0.217 0.000 1.175 146 A CA 1.960 53.873 52.037 -0.206 0.000 0.628 146 A CB -1.486 17.456 19.000 -0.097 0.000 0.814 146 A HN 0.590 nan 8.150 nan 0.000 0.444 147 A N -0.425 122.311 122.820 -0.140 0.000 1.865 147 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 147 A C 2.232 179.637 177.584 -0.298 0.000 1.191 147 A CA 1.951 53.891 52.037 -0.162 0.000 0.623 147 A CB -1.137 17.870 19.000 0.012 0.000 0.826 147 A HN 0.445 nan 8.150 nan 0.000 0.444 148 V N -0.002 119.753 119.914 -0.266 0.000 2.324 148 V HA -0.292 3.827 4.120 -0.001 0.000 0.250 148 V C 2.567 178.481 176.094 -0.300 0.000 1.060 148 V CA 2.533 64.656 62.300 -0.294 0.000 1.042 148 V CB -0.695 31.060 31.823 -0.113 0.000 0.650 148 V HN 0.487 nan 8.190 nan 0.000 0.450 149 K N -0.214 119.962 120.400 -0.372 0.000 2.103 149 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 149 K C 2.278 178.731 176.600 -0.245 0.000 1.048 149 K CA 1.363 57.455 56.287 -0.326 0.000 0.930 149 K CB -0.363 31.884 32.500 -0.421 0.000 0.716 149 K HN 0.438 nan 8.250 nan 0.000 0.444 150 Q N -0.038 119.597 119.800 -0.275 0.000 2.083 150 Q HA -0.058 4.282 4.340 -0.001 0.000 0.198 150 Q C 2.254 178.038 176.000 -0.359 0.000 0.969 150 Q CA 1.059 56.688 55.803 -0.290 0.000 0.838 150 Q CB -0.284 28.248 28.738 -0.343 0.000 0.900 150 Q HN 0.326 nan 8.270 nan 0.000 0.436 151 L N 0.823 121.798 121.223 -0.414 0.000 1.990 151 L HA -0.247 4.093 4.340 -0.001 0.000 0.213 151 L C 2.589 179.371 176.870 -0.147 0.000 1.072 151 L CA 1.743 56.380 54.840 -0.339 0.000 0.755 151 L CB -0.474 41.360 42.059 -0.376 0.000 0.889 151 L HN 0.341 nan 8.230 nan 0.000 0.432 152 E N -0.265 119.846 120.200 -0.148 0.000 2.153 152 E HA -0.184 4.165 4.350 -0.001 0.000 0.194 152 E C 2.052 178.620 176.600 -0.053 0.000 0.988 152 E CA 1.159 57.508 56.400 -0.085 0.000 0.811 152 E CB -0.075 29.575 29.700 -0.083 0.000 0.746 152 E HN 0.503 nan 8.360 nan 0.000 0.466 153 G N 0.984 109.743 108.800 -0.068 0.000 2.408 153 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.215 153 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.215 153 G C 1.329 176.240 174.900 0.019 0.000 1.156 153 G CA 0.953 46.033 45.100 -0.032 0.000 0.793 153 G HN 0.351 nan 8.290 nan 0.000 0.535 154 K N -2.256 118.177 120.400 0.056 0.000 2.586 154 K HA 0.366 4.685 4.320 -0.001 0.000 0.198 154 K C 0.273 177.090 176.600 0.362 0.000 1.170 154 K CA -0.331 56.059 56.287 0.170 0.000 1.069 154 K CB 0.200 32.803 32.500 0.173 0.000 0.944 154 K HN 0.145 nan 8.250 nan 0.000 0.572 155 Y N 1.262 121.564 120.300 0.004 0.000 2.678 155 Y HA 0.381 4.930 4.550 -0.001 0.000 0.274 155 Y C 0.717 176.636 175.900 0.031 0.000 1.114 155 Y CA -0.852 57.258 58.100 0.016 0.000 1.274 155 Y CB 0.302 38.752 38.460 -0.016 0.000 1.438 155 Y HN -0.123 nan 8.280 nan 0.000 0.493 156 L N 1.353 122.685 121.223 0.182 0.000 2.490 156 L HA 0.078 4.417 4.340 -0.001 0.000 0.274 156 L C 0.030 176.984 176.870 0.139 0.000 1.201 156 L CA -0.315 54.604 54.840 0.132 0.000 0.869 156 L CB 0.296 42.389 42.059 0.057 0.000 1.123 156 L HN -0.227 nan 8.230 nan 0.000 0.484 157 V N 4.179 124.214 119.914 0.202 0.000 2.540 157 V HA 0.034 4.154 4.120 -0.001 0.000 0.297 157 V C 0.389 176.598 176.094 0.191 0.000 1.024 157 V CA 0.257 62.700 62.300 0.238 0.000 1.105 157 V CB 0.575 32.599 31.823 0.336 0.000 0.938 157 V HN 0.936 nan 8.190 nan 0.000 0.482 158 Q N 3.880 123.767 119.800 0.145 0.000 2.630 158 Q HA 0.388 4.728 4.340 -0.001 0.000 0.295 158 Q C -1.096 174.922 176.000 0.031 0.000 0.944 158 Q CA -1.008 54.762 55.803 -0.054 0.000 0.766 158 Q CB 1.760 30.437 28.738 -0.103 0.000 1.471 158 Q HN 0.498 nan 8.270 nan 0.000 0.416 159 N N 0.702 119.334 118.700 -0.114 0.000 2.462 159 N HA 0.187 4.927 4.740 -0.001 0.000 0.242 159 N C 0.155 175.655 175.510 -0.017 0.000 1.010 159 N CA 0.061 53.125 53.050 0.024 0.000 0.939 159 N CB 0.826 39.342 38.487 0.048 0.000 1.127 159 N HN 0.624 nan 8.380 nan 0.000 0.509 160 R N 1.826 122.335 120.500 0.015 0.000 2.120 160 R HA -0.062 4.278 4.340 -0.001 0.000 0.234 160 R C 1.604 177.906 176.300 0.004 0.000 1.123 160 R CA 1.092 57.197 56.100 0.007 0.000 0.975 160 R CB 0.234 30.547 30.300 0.021 0.000 0.866 160 R HN 0.374 nan 8.270 nan 0.000 0.446 161 V N 0.081 120.001 119.914 0.010 0.000 2.283 161 V HA -0.195 3.925 4.120 -0.001 0.000 0.243 161 V C 2.393 178.487 176.094 -0.000 0.000 1.039 161 V CA 2.273 64.578 62.300 0.008 0.000 1.016 161 V CB -0.530 31.302 31.823 0.014 0.000 0.650 161 V HN 0.514 nan 8.190 nan 0.000 0.449 162 T N -2.299 112.252 114.554 -0.005 0.000 3.067 162 T HA 0.212 4.562 4.350 -0.001 0.000 0.261 162 T C 1.540 176.217 174.700 -0.038 0.000 1.110 162 T CA 0.952 63.043 62.100 -0.015 0.000 1.113 162 T CB 0.314 69.177 68.868 -0.008 0.000 0.917 162 T HN 1.098 nan 8.240 nan 0.000 0.499 163 G N 1.383 110.149 108.800 -0.056 0.000 2.147 163 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.244 163 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.244 163 G C -0.359 174.460 174.900 -0.135 0.000 1.005 163 G CA -0.024 45.033 45.100 -0.072 0.000 0.713 163 G HN 0.670 nan 8.290 nan 0.000 0.515 164 E N -0.523 119.546 120.200 -0.217 0.000 2.227 164 E HA 0.553 4.903 4.350 -0.001 0.000 0.282 164 E C -0.016 176.232 176.600 -0.586 0.000 1.015 164 E CA -0.583 55.593 56.400 -0.373 0.000 0.823 164 E CB 1.439 30.890 29.700 -0.414 0.000 1.081 164 E HN 0.316 nan 8.360 nan 0.000 0.396 165 I N 2.857 123.138 120.570 -0.481 0.000 2.359 165 I HA 0.055 4.224 4.170 -0.001 0.000 0.294 165 I C -0.124 175.733 176.117 -0.434 0.000 0.987 165 I CA -0.181 60.872 61.300 -0.412 0.000 1.225 165 I CB 0.614 38.468 38.000 -0.244 0.000 1.366 165 I HN 0.573 nan 8.210 nan 0.000 0.466 166 Y N 3.675 123.945 120.300 -0.050 0.000 2.458 166 Y HA 0.205 4.755 4.550 -0.001 0.000 0.254 166 Y C 0.709 176.658 175.900 0.080 0.000 1.120 166 Y CA -0.428 57.659 58.100 -0.021 0.000 1.282 166 Y CB 0.073 38.520 38.460 -0.021 0.000 1.109 166 Y HN 0.546 nan 8.280 nan 0.000 0.526 167 E N -0.855 119.457 120.200 0.187 0.000 2.459 167 E HA 0.685 5.035 4.350 -0.001 0.000 0.275 167 E C -1.023 175.642 176.600 0.109 0.000 0.987 167 E CA -1.122 55.456 56.400 0.296 0.000 0.828 167 E CB 1.879 31.885 29.700 0.510 0.000 1.428 167 E HN -0.080 nan 8.360 nan 0.000 0.457 168 S N -0.681 115.133 115.700 0.190 0.000 2.599 168 S HA 0.650 5.120 4.470 -0.001 0.000 0.294 168 S C 0.948 175.612 174.600 0.106 0.000 1.094 168 S CA -0.404 57.840 58.200 0.074 0.000 0.931 168 S CB 1.485 64.707 63.200 0.037 0.000 1.093 168 S HN 0.832 nan 8.310 nan 0.000 0.488 169 A N 1.344 124.227 122.820 0.105 0.000 1.896 169 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 169 A C 2.129 179.810 177.584 0.162 0.000 1.206 169 A CA 2.046 54.151 52.037 0.114 0.000 0.647 169 A CB -1.168 18.043 19.000 0.351 0.000 0.828 169 A HN 0.781 nan 8.150 nan 0.000 0.455 170 Q N -1.401 118.553 119.800 0.257 0.000 2.170 170 Q HA -0.117 4.222 4.340 -0.001 0.000 0.203 170 Q C 1.833 178.028 176.000 0.325 0.000 0.976 170 Q CA 1.128 57.126 55.803 0.325 0.000 0.858 170 Q CB -0.562 28.235 28.738 0.099 0.000 0.907 170 Q HN 0.729 nan 8.270 nan 0.000 0.433 171 F N 0.434 120.523 119.950 0.232 0.000 2.259 171 F HA -0.059 4.467 4.527 -0.001 0.000 0.298 171 F C 2.207 178.118 175.800 0.184 0.000 1.088 171 F CA 0.000 58.115 58.000 0.192 0.000 1.358 171 F CB -1.029 38.069 39.000 0.163 0.000 1.040 171 F HN 0.055 nan 8.300 nan 0.000 0.505 172 L N -1.101 120.311 121.223 0.314 0.000 1.989 172 L HA -0.296 4.044 4.340 -0.001 0.000 0.211 172 L C 2.455 179.436 176.870 0.185 0.000 1.071 172 L CA 1.709 56.641 54.840 0.154 0.000 0.749 172 L CB -0.639 41.407 42.059 -0.022 0.000 0.890 172 L HN 0.006 nan 8.230 nan 0.000 0.431 173 Y N -0.516 119.969 120.300 0.308 0.000 2.145 173 Y HA -0.285 4.264 4.550 -0.001 0.000 0.286 173 Y C 2.346 178.479 175.900 0.388 0.000 1.145 173 Y CA 1.740 60.037 58.100 0.328 0.000 1.148 173 Y CB -0.676 37.979 38.460 0.324 0.000 0.981 173 Y HN 0.237 nan 8.280 nan 0.000 0.507 174 I N -0.315 120.566 120.570 0.518 0.000 2.226 174 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 174 I C 1.943 178.181 176.117 0.202 0.000 1.100 174 I CA 1.497 62.963 61.300 0.276 0.000 1.374 174 I CB -0.399 37.626 38.000 0.043 0.000 1.057 174 I HN 0.127 nan 8.210 nan 0.000 0.413 175 L N -1.119 120.206 121.223 0.170 0.000 2.217 175 L HA -0.111 4.229 4.340 -0.001 0.000 0.211 175 L C 2.413 179.316 176.870 0.055 0.000 1.107 175 L CA 0.348 55.219 54.840 0.051 0.000 0.783 175 L CB -0.552 41.464 42.059 -0.071 0.000 0.919 175 L HN 0.085 nan 8.230 nan 0.000 0.442 176 V N 0.200 120.194 119.914 0.133 0.000 2.307 176 V HA -0.277 3.842 4.120 -0.001 0.000 0.245 176 V C 2.774 178.938 176.094 0.116 0.000 1.045 176 V CA 1.827 64.192 62.300 0.107 0.000 1.024 176 V CB -0.708 31.227 31.823 0.187 0.000 0.651 176 V HN 0.475 nan 8.190 nan 0.000 0.449 177 A N 0.076 123.064 122.820 0.281 0.000 1.865 177 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 177 A C 2.457 180.156 177.584 0.191 0.000 1.191 177 A CA 2.308 54.533 52.037 0.312 0.000 0.623 177 A CB -0.968 18.315 19.000 0.471 0.000 0.826 177 A HN 0.582 nan 8.150 nan 0.000 0.444 178 A N -0.924 121.961 122.820 0.108 0.000 1.892 178 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 178 A C 2.365 180.049 177.584 0.168 0.000 1.188 178 A CA 1.911 53.968 52.037 0.033 0.000 0.631 178 A CB -1.389 17.468 19.000 -0.238 0.000 0.822 178 A HN 0.629 nan 8.150 nan 0.000 0.447 179 C N -0.827 118.515 119.300 0.069 0.000 2.436 179 C HA -0.039 4.420 4.460 -0.001 0.000 0.277 179 C C 2.648 177.493 174.990 -0.242 0.000 1.241 179 C CA 0.968 59.990 59.018 0.005 0.000 1.721 179 C CB -1.510 26.166 27.740 -0.106 0.000 2.043 179 C HN 0.629 nan 8.230 nan 0.000 0.472 180 L N -0.715 120.302 121.223 -0.344 0.000 2.079 180 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 180 L C 1.412 177.922 176.870 -0.600 0.000 1.081 180 L CA 1.719 56.211 54.840 -0.580 0.000 0.752 180 L CB -0.523 41.103 42.059 -0.722 0.000 0.896 180 L HN 0.322 nan 8.230 nan 0.000 0.433 181 F N -0.836 118.941 119.950 -0.287 0.000 2.730 181 F HA 0.070 4.597 4.527 -0.001 0.000 0.295 181 F C 2.139 177.917 175.800 -0.036 0.000 1.143 181 F CA 0.040 57.858 58.000 -0.304 0.000 1.367 181 F CB -0.217 38.503 39.000 -0.465 0.000 0.970 181 F HN 0.014 nan 8.300 nan 0.000 0.514 182 S N -0.630 115.147 115.700 0.128 0.000 2.402 182 S HA -0.176 4.293 4.470 -0.001 0.000 0.229 182 S C 1.429 176.043 174.600 0.024 0.000 1.021 182 S CA 1.068 59.329 58.200 0.100 0.000 0.974 182 S CB -0.455 62.822 63.200 0.129 0.000 0.800 182 S HN 0.514 nan 8.310 nan 0.000 0.484 183 N N 0.231 118.974 118.700 0.071 0.000 2.421 183 N HA 0.128 4.868 4.740 -0.001 0.000 0.201 183 N C -1.003 174.571 175.510 0.107 0.000 1.198 183 N CA -0.041 53.039 53.050 0.051 0.000 0.838 183 N CB 0.073 38.568 38.487 0.013 0.000 1.011 183 N HN 0.384 nan 8.380 nan 0.000 0.463 184 Y N 1.533 121.824 120.300 -0.014 0.000 2.307 184 Y HA 0.237 4.787 4.550 -0.001 0.000 0.324 184 Y C -1.748 174.158 175.900 0.009 0.000 1.238 184 Y CA -2.361 55.750 58.100 0.019 0.000 1.280 184 Y CB 0.302 38.822 38.460 0.101 0.000 1.248 184 Y HN 0.070 nan 8.280 nan 0.000 0.508 185 P HA 0.004 nan 4.420 nan 0.000 0.265 185 P C 0.232 177.584 177.300 0.086 0.000 1.187 185 P CA 0.091 63.212 63.100 0.035 0.000 0.766 185 P CB 0.697 32.402 31.700 0.009 0.000 0.820 186 R N 2.871 123.396 120.500 0.042 0.000 2.152 186 R HA -0.133 4.206 4.340 -0.001 0.000 0.232 186 R C 1.591 177.926 176.300 0.058 0.000 1.117 186 R CA 1.254 57.379 56.100 0.043 0.000 0.981 186 R CB -0.592 29.714 30.300 0.010 0.000 0.870 186 R HN 0.608 nan 8.270 nan 0.000 0.451 187 E N 0.675 120.907 120.200 0.052 0.000 2.150 187 E HA -0.119 4.230 4.350 -0.001 0.000 0.193 187 E C 1.432 178.069 176.600 0.063 0.000 0.985 187 E CA 1.750 58.177 56.400 0.045 0.000 0.814 187 E CB -0.332 29.386 29.700 0.030 0.000 0.752 187 E HN 0.468 nan 8.360 nan 0.000 0.466 188 T N -2.228 112.399 114.554 0.121 0.000 2.971 188 T HA 0.214 4.563 4.350 -0.001 0.000 0.252 188 T C 1.842 176.679 174.700 0.228 0.000 1.022 188 T CA 0.091 62.285 62.100 0.158 0.000 0.980 188 T CB 0.318 69.358 68.868 0.286 0.000 1.044 188 T HN 0.024 nan 8.240 nan 0.000 0.501 189 R N 1.346 121.997 120.500 0.252 0.000 2.136 189 R HA -0.056 4.284 4.340 -0.001 0.000 0.242 189 R C 2.116 178.508 176.300 0.154 0.000 1.131 189 R CA 1.966 58.212 56.100 0.244 0.000 0.937 189 R CB -0.830 29.592 30.300 0.203 0.000 0.863 189 R HN 0.407 nan 8.270 nan 0.000 0.435 190 L N 0.326 121.634 121.223 0.142 0.000 2.291 190 L HA -0.121 4.218 4.340 -0.001 0.000 0.214 190 L C 2.742 179.624 176.870 0.021 0.000 1.120 190 L CA 1.106 56.038 54.840 0.153 0.000 0.799 190 L CB -0.504 41.693 42.059 0.229 0.000 0.925 190 L HN 0.525 nan 8.230 nan 0.000 0.446 191 Q N -0.308 119.451 119.800 -0.067 0.000 2.079 191 Q HA -0.220 4.120 4.340 -0.001 0.000 0.200 191 Q C 2.199 177.988 176.000 -0.352 0.000 0.974 191 Q CA 1.661 57.327 55.803 -0.229 0.000 0.840 191 Q CB -0.074 28.511 28.738 -0.255 0.000 0.898 191 Q HN 0.390 nan 8.270 nan 0.000 0.430 192 Y N -0.000 120.099 120.300 -0.335 0.000 2.163 192 Y HA -0.206 4.343 4.550 -0.001 0.000 0.288 192 Y C 2.416 177.909 175.900 -0.679 0.000 1.136 192 Y CA 1.121 58.836 58.100 -0.641 0.000 1.147 192 Y CB -0.521 37.309 38.460 -1.050 0.000 0.987 192 Y HN -0.058 nan 8.280 nan 0.000 0.509 193 V N 0.440 120.167 119.914 -0.312 0.000 2.252 193 V HA -0.380 3.740 4.120 -0.001 0.000 0.249 193 V C 2.456 178.509 176.094 -0.068 0.000 1.056 193 V CA 2.329 64.559 62.300 -0.117 0.000 1.022 193 V CB -0.580 31.276 31.823 0.054 0.000 0.641 193 V HN 0.345 nan 8.190 nan 0.000 0.445 194 K N -0.380 119.853 120.400 -0.279 0.000 2.057 194 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 194 K C 2.425 178.886 176.600 -0.231 0.000 1.049 194 K CA 1.482 57.463 56.287 -0.510 0.000 0.931 194 K CB -0.111 31.679 32.500 -1.183 0.000 0.714 194 K HN 0.388 nan 8.250 nan 0.000 0.440 195 R N -0.567 119.799 120.500 -0.225 0.000 2.075 195 R HA -0.131 4.208 4.340 -0.001 0.000 0.232 195 R C 2.314 178.578 176.300 -0.060 0.000 1.126 195 R CA 1.433 57.439 56.100 -0.157 0.000 0.963 195 R CB -0.444 29.751 30.300 -0.174 0.000 0.858 195 R HN 0.220 nan 8.270 nan 0.000 0.435 196 F N 0.703 120.574 119.950 -0.133 0.000 2.146 196 F HA -0.246 4.281 4.527 -0.001 0.000 0.298 196 F C 2.308 178.095 175.800 -0.021 0.000 1.096 196 F CA 1.269 59.250 58.000 -0.031 0.000 1.275 196 F CB -0.437 38.605 39.000 0.069 0.000 1.008 196 F HN -0.010 nan 8.300 nan 0.000 0.480 197 Y N 1.104 121.402 120.300 -0.002 0.000 2.145 197 Y HA -0.243 4.307 4.550 -0.001 0.000 0.286 197 Y C 2.129 177.889 175.900 -0.233 0.000 1.145 197 Y CA 2.159 60.216 58.100 -0.071 0.000 1.148 197 Y CB -0.864 37.610 38.460 0.023 0.000 0.981 197 Y HN 0.027 nan 8.280 nan 0.000 0.507 198 D N 0.357 120.518 120.400 -0.399 0.000 2.117 198 D HA -0.174 4.466 4.640 -0.001 0.000 0.197 198 D C 2.315 178.305 176.300 -0.517 0.000 0.987 198 D CA 1.606 55.307 54.000 -0.499 0.000 0.829 198 D CB -0.611 40.030 40.800 -0.264 0.000 0.961 198 D HN 0.509 nan 8.370 nan 0.000 0.460 199 A N 0.529 123.089 122.820 -0.432 0.000 1.902 199 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 199 A C 2.457 179.730 177.584 -0.518 0.000 1.181 199 A CA 2.181 53.974 52.037 -0.407 0.000 0.623 199 A CB -0.777 18.022 19.000 -0.335 0.000 0.818 199 A HN 0.230 nan 8.150 nan 0.000 0.443 200 V N -1.438 118.061 119.914 -0.691 0.000 2.488 200 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 200 V C 2.381 177.868 176.094 -1.012 0.000 1.046 200 V CA 2.143 64.034 62.300 -0.681 0.000 1.053 200 V CB -1.264 30.223 31.823 -0.560 0.000 0.679 200 V HN 0.671 nan 8.190 nan 0.000 0.458 201 S N 1.675 116.625 115.700 -1.250 0.000 2.515 201 S HA -0.095 4.375 4.470 -0.001 0.000 0.231 201 S C 1.617 175.486 174.600 -1.219 0.000 0.987 201 S CA 1.122 58.485 58.200 -1.395 0.000 0.936 201 S CB -0.934 61.531 63.200 -1.224 0.000 0.766 201 S HN 0.918 nan 8.310 nan 0.000 0.528 202 T N -2.195 111.779 114.554 -0.966 0.000 3.248 202 T HA 0.415 4.764 4.350 -0.001 0.000 0.271 202 T C 0.058 174.400 174.700 -0.598 0.000 1.005 202 T CA -0.719 60.885 62.100 -0.826 0.000 0.902 202 T CB -1.174 67.409 68.868 -0.475 0.000 1.102 202 T HN 0.223 nan 8.240 nan 0.000 0.548 203 F N 0.673 120.480 119.950 -0.238 0.000 3.093 203 F HA -0.223 4.304 4.527 -0.000 0.000 0.287 203 F C 1.283 177.039 175.800 -0.073 0.000 0.882 203 F CA 0.237 58.166 58.000 -0.118 0.000 1.063 203 F CB -2.444 36.528 39.000 -0.047 0.000 1.097 203 F HN 0.368 nan 8.300 nan 0.000 0.604 204 K N -0.121 120.267 120.400 -0.020 0.000 2.211 204 K HA 0.271 4.590 4.320 -0.001 0.000 0.201 204 K C 0.806 177.453 176.600 0.079 0.000 1.052 204 K CA 0.864 57.159 56.287 0.013 0.000 0.973 204 K CB 0.741 33.199 32.500 -0.069 0.000 0.766 204 K HN 0.314 nan 8.250 nan 0.000 0.466 205 I N 0.777 121.361 120.570 0.023 0.000 2.498 205 I HA 0.122 4.292 4.170 -0.001 0.000 0.290 205 I C -0.566 175.581 176.117 0.051 0.000 1.032 205 I CA -0.552 60.781 61.300 0.055 0.000 1.073 205 I CB 2.265 40.253 38.000 -0.019 0.000 1.251 205 I HN -0.173 nan 8.210 nan 0.000 0.426 206 S N 5.962 121.711 115.700 0.083 0.000 2.475 206 S HA 0.737 5.207 4.470 -0.001 0.000 0.298 206 S C -0.550 174.114 174.600 0.107 0.000 1.119 206 S CA -0.476 57.801 58.200 0.128 0.000 1.085 206 S CB 1.150 64.433 63.200 0.138 0.000 1.028 206 S HN 0.298 nan 8.310 nan 0.000 0.489 207 L N 4.305 125.619 121.223 0.151 0.000 2.342 207 L HA 0.558 4.898 4.340 -0.001 0.000 0.271 207 L C -2.146 174.787 176.870 0.104 0.000 1.008 207 L CA -2.177 52.732 54.840 0.114 0.000 0.818 207 L CB 1.418 43.556 42.059 0.132 0.000 1.296 207 L HN 0.420 nan 8.230 nan 0.000 0.427 208 P HA 0.052 nan 4.420 nan 0.000 0.270 208 P C 0.442 177.759 177.300 0.028 0.000 1.227 208 P CA -0.163 62.975 63.100 0.062 0.000 0.788 208 P CB 0.404 32.131 31.700 0.045 0.000 0.926 209 T N 1.582 116.174 114.554 0.063 0.000 2.708 209 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 209 T C -0.914 173.754 174.700 -0.054 0.000 1.037 209 T CA 2.164 64.272 62.100 0.012 0.000 1.146 209 T CB -1.735 67.227 68.868 0.157 0.000 0.865 209 T HN 0.518 nan 8.240 nan 0.000 0.435 210 P HA -0.004 nan 4.420 nan 0.000 0.215 210 P C 1.486 178.875 177.300 0.148 0.000 1.153 210 P CA 1.022 64.194 63.100 0.120 0.000 0.853 210 P CB -0.213 31.590 31.700 0.172 0.000 0.788 211 I N -1.653 118.936 120.570 0.031 0.000 2.163 211 I HA -0.214 3.956 4.170 -0.001 0.000 0.240 211 I C 2.455 178.503 176.117 -0.114 0.000 1.081 211 I CA 1.327 62.566 61.300 -0.103 0.000 1.353 211 I CB -0.624 37.298 38.000 -0.130 0.000 1.054 211 I HN -0.118 nan 8.210 nan 0.000 0.407 212 M N 0.519 119.998 119.600 -0.200 0.000 2.195 212 M HA -0.177 4.303 4.480 -0.001 0.000 0.260 212 M C 2.393 178.485 176.300 -0.347 0.000 1.066 212 M CA 1.993 57.062 55.300 -0.385 0.000 1.089 212 M CB -1.127 30.869 32.600 -1.007 0.000 1.377 212 M HN 0.381 nan 8.290 nan 0.000 0.411 213 S N -2.126 113.440 115.700 -0.222 0.000 2.497 213 S HA 0.204 4.673 4.470 -0.001 0.000 0.218 213 S C 1.840 176.494 174.600 0.091 0.000 1.023 213 S CA 0.370 58.544 58.200 -0.044 0.000 0.913 213 S CB -0.116 63.088 63.200 0.006 0.000 0.800 213 S HN 0.456 nan 8.310 nan 0.000 0.505 214 G N 1.427 110.332 108.800 0.175 0.000 2.645 214 G HA2 0.258 4.217 3.960 -0.001 0.000 0.207 214 G HA3 0.258 4.217 3.960 -0.001 0.000 0.207 214 G C 0.255 175.382 174.900 0.377 0.000 1.145 214 G CA -0.040 45.273 45.100 0.356 0.000 0.831 214 G HN 0.348 nan 8.290 nan 0.000 0.563 215 V N 2.893 122.918 119.914 0.184 0.000 2.475 215 V HA 0.198 4.317 4.120 -0.001 0.000 0.292 215 V C 1.275 177.409 176.094 0.066 0.000 1.003 215 V CA 1.713 64.040 62.300 0.046 0.000 1.120 215 V CB 0.064 31.739 31.823 -0.247 0.000 0.937 215 V HN 0.820 nan 8.190 nan 0.000 0.476 216 R N 2.634 123.203 120.500 0.116 0.000 1.981 216 R HA -0.120 4.220 4.340 -0.001 0.000 0.361 216 R C 0.389 176.694 176.300 0.009 0.000 0.220 216 R CA 0.806 56.876 56.100 -0.051 0.000 1.427 216 R CB -1.447 28.704 30.300 -0.248 0.000 1.802 216 R HN 0.743 nan 8.270 nan 0.000 0.195 217 T N -1.357 113.293 114.554 0.160 0.000 2.881 217 T HA 0.580 4.929 4.350 -0.001 0.000 0.278 217 T C -1.844 172.963 174.700 0.178 0.000 0.982 217 T CA -1.226 60.992 62.100 0.196 0.000 0.989 217 T CB 1.807 70.794 68.868 0.197 0.000 1.058 217 T HN -0.064 nan 8.240 nan 0.000 0.529 218 P HA 0.034 nan 4.420 nan 0.000 0.223 218 P C 0.884 178.211 177.300 0.045 0.000 1.144 218 P CA 0.679 63.831 63.100 0.085 0.000 0.783 218 P CB -0.268 31.462 31.700 0.049 0.000 0.771 219 T N -0.321 114.249 114.554 0.027 0.000 2.701 219 T HA 0.155 4.505 4.350 -0.001 0.000 0.303 219 T C 0.994 175.577 174.700 -0.195 0.000 1.030 219 T CA -0.022 62.019 62.100 -0.098 0.000 1.010 219 T CB 0.223 69.008 68.868 -0.138 0.000 1.007 219 T HN -0.138 nan 8.240 nan 0.000 0.532 220 R N 0.928 121.152 120.500 -0.460 0.000 2.504 220 R HA 0.170 4.510 4.340 -0.001 0.000 0.396 220 R C -0.528 175.206 176.300 -0.943 0.000 0.896 220 R CA -0.116 55.613 56.100 -0.620 0.000 1.152 220 R CB 0.372 30.476 30.300 -0.328 0.000 1.681 220 R HN 0.663 nan 8.270 nan 0.000 0.537 221 Q N 0.334 119.533 119.800 -1.001 0.000 2.390 221 Q HA 0.340 4.679 4.340 -0.001 0.000 0.249 221 Q C -0.403 175.128 176.000 -0.781 0.000 0.996 221 Q CA -0.032 55.373 55.803 -0.664 0.000 0.899 221 Q CB 0.640 29.171 28.738 -0.345 0.000 1.216 221 Q HN -0.011 nan 8.270 nan 0.000 0.465 222 F N -0.836 119.097 119.950 -0.028 0.000 2.838 222 F HA 0.196 4.722 4.527 -0.001 0.000 0.329 222 F C 0.457 176.254 175.800 -0.004 0.000 1.116 222 F CA -0.443 57.553 58.000 -0.006 0.000 1.155 222 F CB 0.990 39.993 39.000 0.005 0.000 1.106 222 F HN 0.210 nan 8.300 nan 0.000 0.538 223 S N 0.433 116.201 115.700 0.115 0.000 2.528 223 S HA 0.278 4.747 4.470 -0.001 0.000 0.277 223 S C 1.179 175.815 174.600 0.058 0.000 1.297 223 S CA 0.311 58.559 58.200 0.079 0.000 1.052 223 S CB 1.232 64.480 63.200 0.079 0.000 0.917 223 S HN 0.364 nan 8.310 nan 0.000 0.492 224 S N 0.526 116.243 115.700 0.027 0.000 2.554 224 S HA 0.155 4.625 4.470 -0.001 0.000 0.227 224 S C 0.340 174.924 174.600 -0.027 0.000 1.050 224 S CA -0.327 57.884 58.200 0.018 0.000 0.927 224 S CB -0.145 63.077 63.200 0.037 0.000 0.859 224 S HN 0.778 nan 8.310 nan 0.000 0.494 225 C N 2.082 121.345 119.300 -0.062 0.000 2.397 225 C HA 0.911 5.371 4.460 -0.001 0.000 0.325 225 C C -0.396 174.495 174.990 -0.165 0.000 1.201 225 C CA -1.194 57.768 59.018 -0.094 0.000 1.377 225 C CB 0.406 28.106 27.740 -0.066 0.000 2.038 225 C HN 0.496 nan 8.230 nan 0.000 0.457 226 V N 2.210 121.987 119.914 -0.227 0.000 2.604 226 V HA 0.852 4.971 4.120 -0.001 0.000 0.305 226 V C -1.136 174.853 176.094 -0.174 0.000 1.043 226 V CA -0.570 61.552 62.300 -0.297 0.000 0.888 226 V CB 1.577 33.025 31.823 -0.624 0.000 0.995 226 V HN 0.763 nan 8.190 nan 0.000 0.429 227 L N 6.673 127.812 121.223 -0.140 0.000 2.298 227 L HA 0.640 4.980 4.340 -0.001 0.000 0.284 227 L C -0.297 176.515 176.870 -0.095 0.000 1.013 227 L CA 0.065 54.840 54.840 -0.108 0.000 0.824 227 L CB 1.401 43.388 42.059 -0.120 0.000 1.221 227 L HN 0.634 nan 8.230 nan 0.000 0.418 228 I N 2.547 123.067 120.570 -0.083 0.000 2.404 228 I HA 0.394 4.563 4.170 -0.001 0.000 0.293 228 I C -0.105 175.968 176.117 -0.075 0.000 0.992 228 I CA -0.538 60.720 61.300 -0.071 0.000 1.149 228 I CB 1.888 39.845 38.000 -0.071 0.000 1.315 228 I HN 0.545 nan 8.210 nan 0.000 0.446 229 E N 5.418 125.584 120.200 -0.056 0.000 2.151 229 E HA 0.339 4.689 4.350 -0.001 0.000 0.275 229 E C -1.546 175.044 176.600 -0.016 0.000 0.936 229 E CA -0.609 55.768 56.400 -0.037 0.000 0.777 229 E CB 1.835 31.512 29.700 -0.039 0.000 1.108 229 E HN 0.719 nan 8.360 nan 0.000 0.401 230 C N 4.453 123.752 119.300 -0.001 0.000 2.319 230 C HA 0.783 5.242 4.460 -0.001 0.000 0.335 230 C C 0.803 175.825 174.990 0.053 0.000 1.274 230 C CA -0.191 58.847 59.018 0.033 0.000 1.806 230 C CB -0.436 27.335 27.740 0.052 0.000 2.329 230 C HN 0.862 nan 8.230 nan 0.000 0.524 231 G N 3.076 111.906 108.800 0.049 0.000 2.557 231 G HA2 0.309 4.268 3.960 -0.001 0.000 0.292 231 G HA3 0.309 4.268 3.960 -0.001 0.000 0.292 231 G C -0.465 174.444 174.900 0.016 0.000 1.237 231 G CA -0.107 45.005 45.100 0.020 0.000 0.978 231 G HN 0.786 nan 8.290 nan 0.000 0.498 232 D N -0.398 119.970 120.400 -0.054 0.000 2.713 232 D HA 0.378 5.018 4.640 -0.001 0.000 0.229 232 D C 0.166 176.410 176.300 -0.093 0.000 1.136 232 D CA -0.022 53.879 54.000 -0.166 0.000 1.010 232 D CB -0.480 40.147 40.800 -0.288 0.000 1.084 232 D HN 0.498 nan 8.370 nan 0.000 0.495 233 S N 0.264 116.081 115.700 0.195 0.000 2.578 233 S HA 0.196 4.665 4.470 -0.001 0.000 0.272 233 S C 0.790 175.520 174.600 0.216 0.000 1.145 233 S CA -0.894 57.510 58.200 0.339 0.000 0.835 233 S CB 0.451 63.742 63.200 0.150 0.000 1.104 233 S HN 0.078 nan 8.310 nan 0.000 0.458 234 L N 0.909 122.187 121.223 0.092 0.000 2.131 234 L HA -0.076 4.263 4.340 -0.001 0.000 0.210 234 L C 1.865 178.740 176.870 0.009 0.000 1.092 234 L CA 1.482 56.286 54.840 -0.061 0.000 0.759 234 L CB -0.620 41.386 42.059 -0.089 0.000 0.903 234 L HN 0.731 nan 8.230 nan 0.000 0.435 235 D N -0.834 119.592 120.400 0.045 0.000 2.144 235 D HA -0.165 4.475 4.640 -0.001 0.000 0.200 235 D C 2.340 178.679 176.300 0.064 0.000 0.978 235 D CA 1.436 55.467 54.000 0.050 0.000 0.833 235 D CB 0.102 40.931 40.800 0.048 0.000 0.961 235 D HN 0.131 nan 8.370 nan 0.000 0.470 236 S N -0.128 115.615 115.700 0.072 0.000 2.395 236 S HA -0.018 4.452 4.470 -0.001 0.000 0.225 236 S C 2.141 176.811 174.600 0.117 0.000 1.027 236 S CA 0.136 58.385 58.200 0.082 0.000 0.965 236 S CB -0.084 63.160 63.200 0.073 0.000 0.812 236 S HN 0.121 nan 8.310 nan 0.000 0.482 237 I N 2.093 122.727 120.570 0.106 0.000 2.208 237 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 237 I C 2.183 178.437 176.117 0.228 0.000 1.097 237 I CA 1.095 62.492 61.300 0.162 0.000 1.363 237 I CB -0.383 37.545 38.000 -0.120 0.000 1.051 237 I HN 0.289 nan 8.210 nan 0.000 0.413 238 N N 0.901 119.688 118.700 0.145 0.000 2.142 238 N HA -0.105 4.634 4.740 -0.001 0.000 0.186 238 N C 1.872 177.472 175.510 0.149 0.000 1.023 238 N CA 1.543 54.690 53.050 0.161 0.000 0.852 238 N CB -0.398 38.151 38.487 0.104 0.000 0.998 238 N HN 0.356 nan 8.380 nan 0.000 0.424 239 A N 0.373 123.264 122.820 0.118 0.000 1.877 239 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 239 A C 2.358 180.003 177.584 0.103 0.000 1.186 239 A CA 2.029 54.123 52.037 0.095 0.000 0.620 239 A CB -1.159 17.887 19.000 0.075 0.000 0.822 239 A HN 0.297 nan 8.150 nan 0.000 0.443 240 T N -0.382 114.243 114.554 0.118 0.000 2.652 240 T HA -0.187 4.163 4.350 -0.001 0.000 0.267 240 T C 2.287 177.056 174.700 0.114 0.000 1.039 240 T CA 1.924 64.070 62.100 0.077 0.000 1.153 240 T CB -0.495 68.389 68.868 0.027 0.000 0.863 240 T HN 0.539 nan 8.240 nan 0.000 0.428 241 S N 0.527 116.377 115.700 0.251 0.000 2.359 241 S HA -0.156 4.314 4.470 -0.001 0.000 0.224 241 S C 2.401 177.076 174.600 0.125 0.000 1.035 241 S CA 1.811 60.152 58.200 0.236 0.000 1.018 241 S CB -0.600 62.768 63.200 0.279 0.000 0.876 241 S HN 0.424 nan 8.310 nan 0.000 0.448 242 S N 1.006 116.774 115.700 0.114 0.000 2.368 242 S HA -0.015 4.455 4.470 -0.001 0.000 0.225 242 S C 2.187 176.823 174.600 0.060 0.000 1.030 242 S CA 1.120 59.365 58.200 0.075 0.000 0.999 242 S CB -0.664 62.577 63.200 0.068 0.000 0.844 242 S HN 0.709 nan 8.310 nan 0.000 0.459 243 A N 1.275 124.141 122.820 0.077 0.000 1.902 243 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 243 A C 2.036 179.702 177.584 0.136 0.000 1.181 243 A CA 1.230 53.327 52.037 0.100 0.000 0.623 243 A CB -0.696 18.379 19.000 0.125 0.000 0.818 243 A HN 0.502 nan 8.150 nan 0.000 0.443 244 I N -0.554 120.078 120.570 0.104 0.000 2.163 244 I HA -0.230 3.940 4.170 -0.001 0.000 0.243 244 I C 2.355 178.528 176.117 0.093 0.000 1.085 244 I CA 1.190 62.551 61.300 0.102 0.000 1.347 244 I CB -0.407 37.628 38.000 0.059 0.000 1.044 244 I HN 0.150 nan 8.210 nan 0.000 0.408 245 V N 0.829 120.779 119.914 0.060 0.000 2.332 245 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 245 V C 2.559 178.661 176.094 0.014 0.000 1.055 245 V CA 1.738 64.059 62.300 0.035 0.000 1.038 245 V CB -0.665 31.172 31.823 0.024 0.000 0.651 245 V HN 0.360 nan 8.190 nan 0.000 0.450 246 K N -1.051 119.339 120.400 -0.018 0.000 2.057 246 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 246 K C 2.106 178.617 176.600 -0.148 0.000 1.049 246 K CA 1.702 57.921 56.287 -0.112 0.000 0.931 246 K CB -0.379 32.006 32.500 -0.192 0.000 0.714 246 K HN 0.502 nan 8.250 nan 0.000 0.440 247 Y N 0.581 120.881 120.300 0.001 0.000 2.337 247 Y HA -0.133 4.416 4.550 -0.001 0.000 0.293 247 Y C 2.188 178.087 175.900 -0.002 0.000 1.123 247 Y CA 0.605 58.703 58.100 -0.003 0.000 1.201 247 Y CB -0.298 38.163 38.460 0.002 0.000 1.011 247 Y HN -0.121 nan 8.280 nan 0.000 0.545 248 V N -2.355 117.646 119.914 0.146 0.000 3.041 248 V HA -0.098 4.022 4.120 -0.001 0.000 0.260 248 V C 1.991 178.120 176.094 0.058 0.000 1.105 248 V CA 1.421 63.777 62.300 0.093 0.000 1.125 248 V CB -1.015 30.848 31.823 0.068 0.000 0.730 248 V HN 0.411 nan 8.190 nan 0.000 0.479 249 S N 0.317 116.038 115.700 0.035 0.000 2.481 249 S HA -0.094 4.376 4.470 -0.001 0.000 0.231 249 S C 1.643 176.247 174.600 0.006 0.000 0.996 249 S CA 1.057 59.263 58.200 0.010 0.000 0.942 249 S CB -0.508 62.685 63.200 -0.012 0.000 0.768 249 S HN 0.768 nan 8.310 nan 0.000 0.520 250 Q N 0.322 120.135 119.800 0.022 0.000 2.188 250 Q HA 0.393 4.733 4.340 -0.001 0.000 0.212 250 Q C -0.412 175.619 176.000 0.051 0.000 0.846 250 Q CA -0.372 55.442 55.803 0.019 0.000 0.989 250 Q CB 0.223 28.966 28.738 0.009 0.000 1.114 250 Q HN 0.439 nan 8.270 nan 0.000 0.488 251 R N -0.418 120.116 120.500 0.057 0.000 3.532 251 R HA -0.172 4.168 4.340 -0.001 0.000 0.284 251 R C -0.709 175.631 176.300 0.068 0.000 1.140 251 R CA 0.424 56.559 56.100 0.058 0.000 0.768 251 R CB -1.903 28.426 30.300 0.048 0.000 1.252 251 R HN 0.297 nan 8.270 nan 0.000 0.454 252 A N 0.135 123.005 122.820 0.085 0.000 2.303 252 A HA 0.716 5.035 4.320 -0.001 0.000 0.317 252 A C 0.754 178.358 177.584 0.034 0.000 1.149 252 A CA 0.204 52.274 52.037 0.056 0.000 0.822 252 A CB 1.054 20.084 19.000 0.050 0.000 1.131 252 A HN 0.289 nan 8.150 nan 0.000 0.493 253 G N 0.822 109.630 108.800 0.012 0.000 2.390 253 G HA2 0.499 4.459 3.960 -0.001 0.000 0.270 253 G HA3 0.499 4.459 3.960 -0.001 0.000 0.270 253 G C -0.274 174.617 174.900 -0.015 0.000 1.211 253 G CA -0.273 44.836 45.100 0.013 0.000 0.842 253 G HN 0.495 nan 8.290 nan 0.000 0.519 254 I N 1.096 121.666 120.570 -0.001 0.000 2.562 254 I HA 0.534 4.703 4.170 -0.001 0.000 0.301 254 I C 0.612 176.733 176.117 0.007 0.000 1.003 254 I CA -0.832 60.456 61.300 -0.019 0.000 1.127 254 I CB 1.561 39.554 38.000 -0.011 0.000 1.304 254 I HN 0.533 nan 8.210 nan 0.000 0.446 255 G N 6.426 115.232 108.800 0.011 0.000 2.675 255 G HA2 0.695 4.655 3.960 -0.001 0.000 0.297 255 G HA3 0.695 4.655 3.960 -0.001 0.000 0.297 255 G C -0.820 174.129 174.900 0.082 0.000 1.399 255 G CA -0.278 44.891 45.100 0.115 0.000 0.981 255 G HN 0.429 nan 8.290 nan 0.000 0.519 256 I N 2.125 122.759 120.570 0.106 0.000 2.354 256 I HA 0.252 4.422 4.170 -0.001 0.000 0.292 256 I C -0.484 175.711 176.117 0.129 0.000 0.989 256 I CA -1.066 60.231 61.300 -0.004 0.000 1.188 256 I CB 2.057 39.936 38.000 -0.202 0.000 1.342 256 I HN 0.300 nan 8.210 nan 0.000 0.457 257 N N 5.408 124.150 118.700 0.070 0.000 2.462 257 N HA 0.440 5.180 4.740 -0.001 0.000 0.242 257 N C -0.075 175.513 175.510 0.130 0.000 1.010 257 N CA -0.268 52.875 53.050 0.154 0.000 0.939 257 N CB 1.617 40.149 38.487 0.075 0.000 1.127 257 N HN 0.749 nan 8.380 nan 0.000 0.509 258 A N 2.350 125.288 122.820 0.197 0.000 2.594 258 A HA 0.352 4.672 4.320 -0.001 0.000 0.287 258 A C 1.552 179.321 177.584 0.309 0.000 1.227 258 A CA 0.046 52.227 52.037 0.240 0.000 0.952 258 A CB -0.231 18.916 19.000 0.246 0.000 1.161 258 A HN 0.643 nan 8.150 nan 0.000 0.524 259 G N 0.698 109.696 108.800 0.330 0.000 2.450 259 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.220 259 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.220 259 G C 1.563 176.562 174.900 0.165 0.000 1.130 259 G CA 0.864 46.181 45.100 0.361 0.000 0.760 259 G HN 0.573 nan 8.290 nan 0.000 0.557 260 R N -0.300 120.163 120.500 -0.061 0.000 2.193 260 R HA 0.204 4.544 4.340 -0.001 0.000 0.213 260 R C 0.762 177.023 176.300 -0.066 0.000 1.055 260 R CA -0.193 55.745 56.100 -0.270 0.000 0.995 260 R CB -0.135 29.956 30.300 -0.348 0.000 0.893 260 R HN 0.312 nan 8.270 nan 0.000 0.459 261 I N 3.833 124.445 120.570 0.070 0.000 2.828 261 I HA -0.127 4.043 4.170 -0.001 0.000 0.292 261 I C 0.858 177.040 176.117 0.108 0.000 1.206 261 I CA 0.226 61.569 61.300 0.072 0.000 1.420 261 I CB 0.105 38.269 38.000 0.273 0.000 1.368 261 I HN 0.251 nan 8.210 nan 0.000 0.556 262 R N 6.252 126.681 120.500 -0.118 0.000 2.784 262 R HA 0.479 4.818 4.340 -0.001 0.000 0.266 262 R C -0.053 176.306 176.300 0.098 0.000 1.044 262 R CA -0.610 55.453 56.100 -0.063 0.000 1.151 262 R CB 0.387 30.550 30.300 -0.229 0.000 1.037 262 R HN 0.602 nan 8.270 nan 0.000 0.478 263 A N 2.619 125.475 122.820 0.059 0.000 2.332 263 A HA 0.249 4.569 4.320 -0.001 0.000 0.258 263 A C -0.090 177.535 177.584 0.069 0.000 1.087 263 A CA -0.767 51.336 52.037 0.109 0.000 0.802 263 A CB 0.328 19.330 19.000 0.003 0.000 1.042 263 A HN 0.740 nan 8.150 nan 0.000 0.489 264 L N 1.543 122.806 121.223 0.066 0.000 2.559 264 L HA 0.436 4.775 4.340 -0.001 0.000 0.274 264 L C 1.180 178.076 176.870 0.044 0.000 1.205 264 L CA 2.136 57.008 54.840 0.054 0.000 0.907 264 L CB -0.166 41.907 42.059 0.023 0.000 1.153 264 L HN 1.654 nan 8.230 nan 0.000 0.490 265 G N 2.276 111.118 108.800 0.069 0.000 2.308 265 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.221 265 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.221 265 G C 0.594 175.435 174.900 -0.097 0.000 1.032 265 G CA 0.112 45.255 45.100 0.073 0.000 0.623 265 G HN 0.892 nan 8.290 nan 0.000 0.506 266 S N 3.238 118.871 115.700 -0.112 0.000 2.550 266 S HA 0.392 4.862 4.470 -0.001 0.000 0.285 266 S C -1.965 172.472 174.600 -0.271 0.000 1.326 266 S CA 0.106 58.222 58.200 -0.140 0.000 1.037 266 S CB 0.615 63.755 63.200 -0.099 0.000 0.838 266 S HN 0.389 nan 8.310 nan 0.000 0.519 267 P HA 0.005 nan 4.420 nan 0.000 0.256 267 P C 0.016 177.230 177.300 -0.143 0.000 1.173 267 P CA 0.178 63.192 63.100 -0.143 0.000 0.768 267 P CB -0.173 31.491 31.700 -0.060 0.000 0.758 268 I N 3.752 124.225 120.570 -0.161 0.000 2.742 268 I HA -0.054 4.115 4.170 -0.001 0.000 0.287 268 I C 0.436 176.593 176.117 0.067 0.000 1.186 268 I CA 0.333 61.645 61.300 0.020 0.000 1.417 268 I CB 0.088 38.212 38.000 0.205 0.000 1.377 268 I HN 0.142 nan 8.210 nan 0.000 0.556 269 R N 5.544 126.108 120.500 0.106 0.000 2.467 269 R HA 0.486 4.826 4.340 -0.001 0.000 0.299 269 R C 0.106 176.468 176.300 0.104 0.000 1.120 269 R CA 0.108 56.255 56.100 0.079 0.000 0.940 269 R CB 1.229 31.549 30.300 0.033 0.000 1.161 269 R HN 0.829 nan 8.270 nan 0.000 0.506 270 G N 0.970 109.819 108.800 0.082 0.000 2.168 270 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.197 270 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.197 270 G C 0.742 175.682 174.900 0.066 0.000 0.997 270 G CA 0.008 45.150 45.100 0.071 0.000 0.658 270 G HN 1.292 nan 8.290 nan 0.000 0.513 271 G N -0.436 108.406 108.800 0.070 0.000 2.279 271 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.223 271 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.223 271 G C 0.145 175.073 174.900 0.046 0.000 1.015 271 G CA 0.570 45.701 45.100 0.052 0.000 0.621 271 G HN 1.183 nan 8.290 nan 0.000 0.506 272 E N 1.771 122.009 120.200 0.063 0.000 2.059 272 E HA 0.462 4.812 4.350 -0.001 0.000 0.262 272 E C 0.791 177.389 176.600 -0.004 0.000 1.230 272 E CA 0.166 56.568 56.400 0.002 0.000 0.951 272 E CB 0.625 30.380 29.700 0.091 0.000 1.038 272 E HN 0.714 nan 8.360 nan 0.000 0.425 273 A N 3.916 126.713 122.820 -0.039 0.000 2.752 273 A HA -0.020 4.300 4.320 -0.001 0.000 0.292 273 A C -0.089 177.497 177.584 0.003 0.000 1.597 273 A CA 0.122 52.176 52.037 0.028 0.000 1.241 273 A CB -0.711 18.294 19.000 0.008 0.000 1.061 273 A HN 0.571 nan 8.150 nan 0.000 0.576 274 F N 0.199 120.233 119.950 0.140 0.000 2.641 274 F HA 0.126 4.652 4.527 -0.001 0.000 0.302 274 F C 1.838 177.680 175.800 0.071 0.000 1.098 274 F CA -0.035 58.056 58.000 0.152 0.000 1.318 274 F CB 0.033 39.086 39.000 0.089 0.000 1.035 274 F HN 0.705 nan 8.300 nan 0.000 0.551 275 H N -0.343 118.834 119.070 0.179 0.000 2.489 275 H HA -0.097 4.459 4.556 -0.001 0.000 0.293 275 H C 2.199 177.557 175.328 0.049 0.000 1.066 275 H CA 1.935 58.039 56.048 0.093 0.000 1.305 275 H CB -0.008 29.780 29.762 0.044 0.000 1.386 275 H HN 0.271 nan 8.280 nan 0.000 0.551 276 T N -2.797 111.841 114.554 0.139 0.000 3.067 276 T HA 0.290 4.640 4.350 -0.001 0.000 0.257 276 T C 1.242 175.943 174.700 0.000 0.000 1.105 276 T CA 0.604 62.712 62.100 0.013 0.000 1.104 276 T CB 0.355 69.153 68.868 -0.115 0.000 0.925 276 T HN 0.563 nan 8.240 nan 0.000 0.498 277 G N 0.090 108.956 108.800 0.109 0.000 2.632 277 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.224 277 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.224 277 G C 0.843 175.810 174.900 0.111 0.000 1.341 277 G CA -0.441 44.733 45.100 0.123 0.000 0.880 277 G HN 0.396 nan 8.290 nan 0.000 0.566 278 C N 0.305 119.591 119.300 -0.024 0.000 2.462 278 C HA 0.031 4.491 4.460 -0.001 0.000 0.278 278 C C 3.015 177.761 174.990 -0.406 0.000 1.253 278 C CA 1.323 60.212 59.018 -0.215 0.000 1.713 278 C CB -1.520 25.838 27.740 -0.637 0.000 2.049 278 C HN 0.561 nan 8.230 nan 0.000 0.477 279 I N 2.105 122.418 120.570 -0.429 0.000 2.074 279 I HA -0.193 3.976 4.170 -0.001 0.000 0.238 279 I C -0.217 175.802 176.117 -0.163 0.000 1.037 279 I CA 2.211 63.325 61.300 -0.311 0.000 1.301 279 I CB -2.958 34.911 38.000 -0.218 0.000 1.016 279 I HN 0.189 nan 8.210 nan 0.000 0.400 280 P HA -0.185 nan 4.420 nan 0.000 0.216 280 P C 1.953 179.078 177.300 -0.292 0.000 1.157 280 P CA 1.718 64.629 63.100 -0.316 0.000 0.880 280 P CB -0.207 31.189 31.700 -0.508 0.000 0.791 281 F N -2.801 117.110 119.950 -0.064 0.000 2.186 281 F HA -0.135 4.392 4.527 0.000 0.000 0.299 281 F C 2.343 178.037 175.800 -0.176 0.000 1.090 281 F CA 0.936 58.842 58.000 -0.156 0.000 1.307 281 F CB -1.624 37.313 39.000 -0.105 0.000 1.019 281 F HN -0.091 nan 8.300 nan 0.000 0.489 282 Y N 0.723 121.040 120.300 0.029 0.000 2.165 282 Y HA -0.196 4.353 4.550 -0.001 0.000 0.286 282 Y C 2.297 178.275 175.900 0.129 0.000 1.155 282 Y CA 0.755 58.950 58.100 0.158 0.000 1.164 282 Y CB -1.187 37.393 38.460 0.201 0.000 0.978 282 Y HN 0.059 nan 8.280 nan 0.000 0.513 283 K N -1.171 119.364 120.400 0.225 0.000 2.097 283 K HA -0.225 4.094 4.320 -0.001 0.000 0.206 283 K C 1.951 178.649 176.600 0.163 0.000 1.049 283 K CA 1.559 57.944 56.287 0.163 0.000 0.933 283 K CB -0.312 32.240 32.500 0.087 0.000 0.717 283 K HN 0.300 nan 8.250 nan 0.000 0.442 284 H N -0.247 118.822 119.070 -0.002 0.000 2.389 284 H HA -0.078 4.478 4.556 -0.001 0.000 0.299 284 H C 1.465 176.841 175.328 0.080 0.000 1.081 284 H CA 1.487 57.532 56.048 -0.006 0.000 1.345 284 H CB 0.017 29.748 29.762 -0.052 0.000 1.393 284 H HN 0.056 nan 8.280 nan 0.000 0.520 285 F N 0.500 120.549 119.950 0.165 0.000 2.186 285 F HA -0.095 4.431 4.527 -0.001 0.000 0.299 285 F C 2.766 178.589 175.800 0.038 0.000 1.090 285 F CA 1.286 59.323 58.000 0.062 0.000 1.307 285 F CB -0.973 38.077 39.000 0.084 0.000 1.019 285 F HN 0.299 nan 8.300 nan 0.000 0.489 286 Q N 0.392 120.342 119.800 0.250 0.000 2.084 286 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 286 Q C 2.142 178.214 176.000 0.119 0.000 0.978 286 Q CA 2.625 58.534 55.803 0.178 0.000 0.844 286 Q CB -0.181 28.673 28.738 0.194 0.000 0.898 286 Q HN 0.515 nan 8.270 nan 0.000 0.426 287 T N -1.979 112.628 114.554 0.089 0.000 2.867 287 T HA 0.039 4.388 4.350 -0.001 0.000 0.268 287 T C 1.848 176.557 174.700 0.014 0.000 1.057 287 T CA 0.908 63.037 62.100 0.048 0.000 1.136 287 T CB -0.361 68.536 68.868 0.048 0.000 0.874 287 T HN 0.345 nan 8.240 nan 0.000 0.466 288 A N 1.339 124.151 122.820 -0.013 0.000 1.898 288 A HA 0.086 4.405 4.320 -0.001 0.000 0.216 288 A C 2.605 180.213 177.584 0.039 0.000 1.181 288 A CA 1.458 53.493 52.037 -0.004 0.000 0.620 288 A CB -1.086 17.919 19.000 0.009 0.000 0.819 288 A HN 0.400 nan 8.150 nan 0.000 0.442 289 V N -0.418 119.535 119.914 0.064 0.000 2.490 289 V HA -0.181 3.939 4.120 -0.001 0.000 0.250 289 V C 2.153 178.276 176.094 0.048 0.000 1.061 289 V CA 2.321 64.657 62.300 0.060 0.000 1.064 289 V CB -0.510 31.354 31.823 0.068 0.000 0.670 289 V HN 0.454 nan 8.190 nan 0.000 0.461 290 K N 0.252 120.678 120.400 0.043 0.000 2.387 290 K HA 0.094 4.414 4.320 -0.001 0.000 0.198 290 K C 2.021 178.633 176.600 0.020 0.000 1.022 290 K CA 0.596 56.898 56.287 0.026 0.000 1.128 290 K CB -0.022 32.488 32.500 0.017 0.000 0.853 290 K HN 0.589 nan 8.250 nan 0.000 0.523 291 S N -0.974 114.739 115.700 0.023 0.000 2.400 291 S HA -0.189 4.281 4.470 -0.001 0.000 0.232 291 S C 1.418 176.027 174.600 0.016 0.000 1.025 291 S CA 1.071 59.282 58.200 0.018 0.000 0.993 291 S CB -0.428 62.782 63.200 0.016 0.000 0.808 291 S HN 0.308 nan 8.310 nan 0.000 0.478 292 C N 2.443 121.753 119.300 0.017 0.000 2.548 292 C HA 0.564 5.024 4.460 -0.001 0.000 0.297 292 C C 0.492 175.490 174.990 0.014 0.000 1.422 292 C CA -0.945 58.082 59.018 0.014 0.000 1.785 292 C CB -1.576 26.174 27.740 0.015 0.000 2.593 292 C HN 0.415 nan 8.230 nan 0.000 0.545 293 S N 0.767 116.473 115.700 0.010 0.000 2.442 293 S HA 0.270 4.740 4.470 -0.001 0.000 0.297 293 S C 0.707 175.307 174.600 -0.001 0.000 1.131 293 S CA -0.375 57.828 58.200 0.005 0.000 1.092 293 S CB 1.663 64.862 63.200 -0.002 0.000 0.998 293 S HN 0.605 nan 8.310 nan 0.000 0.478 294 Q N 3.076 122.876 119.800 0.001 0.000 2.143 294 Q HA -0.262 4.077 4.340 -0.001 0.000 0.261 294 Q C 1.162 177.160 176.000 -0.004 0.000 1.076 294 Q CA 2.433 58.235 55.803 -0.000 0.000 0.929 294 Q CB -0.558 28.180 28.738 -0.000 0.000 1.005 294 Q HN 0.923 nan 8.270 nan 0.000 0.477 295 G N -2.268 106.525 108.800 -0.012 0.000 4.804 295 G HA2 0.450 4.410 3.960 -0.001 0.000 0.310 295 G HA3 0.450 4.410 3.960 -0.001 0.000 0.310 295 G C 0.379 175.263 174.900 -0.026 0.000 1.389 295 G CA 0.186 45.279 45.100 -0.013 0.000 1.106 295 G HN 0.927 nan 8.290 nan 0.000 0.595 296 G N -0.701 108.084 108.800 -0.025 0.000 2.187 296 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.261 296 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.261 296 G C 0.907 175.753 174.900 -0.091 0.000 1.000 296 G CA 1.392 46.471 45.100 -0.036 0.000 0.718 296 G HN 1.560 nan 8.290 nan 0.000 0.519 297 V N -4.897 114.949 119.914 -0.114 0.000 3.221 297 V HA 0.492 4.612 4.120 -0.001 0.000 0.254 297 V C 0.699 176.718 176.094 -0.125 0.000 1.586 297 V CA 0.820 62.990 62.300 -0.216 0.000 1.074 297 V CB 0.250 31.911 31.823 -0.269 0.000 0.912 297 V HN 0.425 nan 8.190 nan 0.000 0.426 298 R N 1.502 121.967 120.500 -0.059 0.000 2.343 298 R HA 0.624 4.963 4.340 -0.001 0.000 0.320 298 R C 0.028 176.329 176.300 0.000 0.000 0.956 298 R CA 0.699 56.786 56.100 -0.021 0.000 0.836 298 R CB 1.124 31.417 30.300 -0.012 0.000 1.151 298 R HN 1.074 nan 8.270 nan 0.000 0.450 299 G N 1.621 110.431 108.800 0.016 0.000 2.650 299 G HA2 0.256 4.215 3.960 -0.001 0.000 0.686 299 G HA3 0.256 4.215 3.960 -0.001 0.000 0.686 299 G C -0.088 174.832 174.900 0.032 0.000 1.205 299 G CA -0.283 44.834 45.100 0.029 0.000 0.781 299 G HN 1.214 nan 8.290 nan 0.000 0.648 300 G N -0.950 107.875 108.800 0.043 0.000 3.379 300 G HA2 0.521 4.481 3.960 -0.001 0.000 0.653 300 G HA3 0.521 4.481 3.960 -0.001 0.000 0.653 300 G C 0.306 175.237 174.900 0.052 0.000 0.872 300 G CA 0.930 46.058 45.100 0.046 0.000 0.754 300 G HN 2.745 nan 8.290 nan 0.000 0.467 301 A N 1.664 124.518 122.820 0.057 0.000 2.515 301 A HA 1.221 5.541 4.320 -0.001 0.000 0.296 301 A C 0.196 177.809 177.584 0.049 0.000 1.094 301 A CA 0.096 52.171 52.037 0.063 0.000 0.718 301 A CB 1.908 20.959 19.000 0.085 0.000 1.307 301 A HN 2.767 nan 8.150 nan 0.000 0.408 302 A N 0.028 122.869 122.820 0.035 0.000 2.606 302 A HA 0.857 5.177 4.320 -0.001 0.000 0.293 302 A C -0.693 176.870 177.584 -0.035 0.000 1.082 302 A CA -0.427 51.614 52.037 0.007 0.000 0.685 302 A CB 1.381 20.376 19.000 -0.008 0.000 1.284 302 A HN 1.005 nan 8.150 nan 0.000 0.408 303 T N 1.510 116.038 114.554 -0.044 0.000 2.840 303 T HA 0.531 4.880 4.350 -0.001 0.000 0.287 303 T C -0.881 173.683 174.700 -0.226 0.000 0.991 303 T CA -0.133 61.874 62.100 -0.154 0.000 0.964 303 T CB 0.839 69.667 68.868 -0.067 0.000 0.954 303 T HN 0.598 nan 8.240 nan 0.000 0.438 304 L N 3.960 124.985 121.223 -0.330 0.000 2.309 304 L HA 0.718 5.058 4.340 -0.001 0.000 0.282 304 L C -1.359 175.405 176.870 -0.176 0.000 1.036 304 L CA -0.645 54.119 54.840 -0.126 0.000 0.806 304 L CB 0.570 42.602 42.059 -0.045 0.000 1.220 304 L HN 0.524 nan 8.230 nan 0.000 0.429 305 F N 4.073 124.080 119.950 0.094 0.000 2.492 305 F HA 0.597 5.124 4.527 0.000 0.000 0.327 305 F C -0.560 175.342 175.800 0.170 0.000 1.079 305 F CA -0.376 57.660 58.000 0.060 0.000 0.967 305 F CB 1.559 40.600 39.000 0.068 0.000 1.169 305 F HN 0.351 nan 8.300 nan 0.000 0.472 306 Y N 0.405 120.894 120.300 0.316 0.000 2.592 306 Y HA 0.656 5.205 4.550 -0.001 0.000 0.334 306 Y C -3.359 172.622 175.900 0.135 0.000 1.136 306 Y CA -3.655 54.574 58.100 0.215 0.000 1.042 306 Y CB 0.615 39.142 38.460 0.113 0.000 1.325 306 Y HN 0.235 nan 8.280 nan 0.000 0.457 307 P HA 0.084 nan 4.420 nan 0.000 0.271 307 P C 0.535 177.730 177.300 -0.176 0.000 1.218 307 P CA -0.230 62.750 63.100 -0.201 0.000 0.780 307 P CB 1.324 32.395 31.700 -1.048 0.000 0.901 308 M N 2.575 122.079 119.600 -0.161 0.000 2.279 308 M HA -0.064 4.416 4.480 -0.001 0.000 0.264 308 M C 1.099 177.407 176.300 0.014 0.000 1.062 308 M CA 1.682 56.957 55.300 -0.040 0.000 1.099 308 M CB -0.222 32.341 32.600 -0.060 0.000 1.394 308 M HN 0.491 nan 8.290 nan 0.000 0.426 309 W N -0.858 120.476 121.300 0.057 0.000 3.290 309 W HA 0.141 4.800 4.660 -0.000 0.000 0.287 309 W C 0.291 176.897 176.519 0.144 0.000 1.288 309 W CA -0.431 56.981 57.345 0.111 0.000 1.725 309 W CB -1.440 28.137 29.460 0.194 0.000 1.103 309 W HN 0.067 nan 8.180 nan 0.000 0.670 310 H N 2.357 121.352 119.070 -0.126 0.000 3.038 310 H HA -0.103 4.452 4.556 -0.001 0.000 0.338 310 H C 1.103 176.459 175.328 0.047 0.000 1.041 310 H CA 0.778 56.795 56.048 -0.051 0.000 1.394 310 H CB 1.642 31.321 29.762 -0.139 0.000 1.357 310 H HN 0.068 nan 8.280 nan 0.000 0.600 311 L N 4.303 125.465 121.223 -0.102 0.000 2.187 311 L HA -0.136 4.203 4.340 -0.001 0.000 0.213 311 L C 1.496 178.413 176.870 0.078 0.000 1.100 311 L CA 1.775 56.607 54.840 -0.012 0.000 0.765 311 L CB -0.212 41.798 42.059 -0.082 0.000 0.904 311 L HN 0.691 nan 8.230 nan 0.000 0.437 312 E N -1.715 118.640 120.200 0.259 0.000 2.465 312 E HA -0.006 4.344 4.350 -0.001 0.000 0.195 312 E C 1.923 178.478 176.600 -0.075 0.000 1.028 312 E CA 0.028 56.462 56.400 0.057 0.000 0.899 312 E CB 0.320 30.014 29.700 -0.009 0.000 1.032 312 E HN 0.308 nan 8.360 nan 0.000 0.468 313 V N 1.451 121.348 119.914 -0.028 0.000 2.380 313 V HA -0.334 3.786 4.120 -0.001 0.000 0.251 313 V C 1.812 177.845 176.094 -0.101 0.000 1.063 313 V CA 2.111 64.355 62.300 -0.094 0.000 1.055 313 V CB -0.072 31.767 31.823 0.026 0.000 0.657 313 V HN 0.320 nan 8.190 nan 0.000 0.455 314 E N -0.580 119.580 120.200 -0.067 0.000 2.204 314 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 314 E C 2.310 178.854 176.600 -0.094 0.000 0.989 314 E CA 1.399 57.761 56.400 -0.064 0.000 0.824 314 E CB -0.117 29.557 29.700 -0.043 0.000 0.756 314 E HN 0.616 nan 8.360 nan 0.000 0.477 315 S N 0.627 116.250 115.700 -0.128 0.000 2.425 315 S HA 0.042 4.511 4.470 -0.001 0.000 0.225 315 S C 1.985 176.454 174.600 -0.218 0.000 1.024 315 S CA 0.294 58.403 58.200 -0.151 0.000 0.951 315 S CB 0.073 63.182 63.200 -0.152 0.000 0.796 315 S HN 0.164 nan 8.310 nan 0.000 0.498 316 L N 0.871 121.905 121.223 -0.314 0.000 2.093 316 L HA -0.035 4.305 4.340 -0.001 0.000 0.208 316 L C 1.995 178.676 176.870 -0.316 0.000 1.085 316 L CA 0.613 55.172 54.840 -0.469 0.000 0.755 316 L CB -0.530 40.982 42.059 -0.913 0.000 0.904 316 L HN 0.270 nan 8.230 nan 0.000 0.435 317 L N 0.029 121.161 121.223 -0.152 0.000 2.265 317 L HA -0.097 4.242 4.340 -0.001 0.000 0.215 317 L C 1.996 178.826 176.870 -0.068 0.000 1.117 317 L CA 1.468 56.285 54.840 -0.038 0.000 0.782 317 L CB -0.588 41.466 42.059 -0.007 0.000 0.914 317 L HN 0.249 nan 8.230 nan 0.000 0.441 318 V N -5.200 114.656 119.914 -0.097 0.000 3.271 318 V HA 0.154 4.274 4.120 -0.001 0.000 0.327 318 V C 1.765 177.811 176.094 -0.080 0.000 1.389 318 V CA 0.018 62.276 62.300 -0.070 0.000 1.156 318 V CB -0.401 31.387 31.823 -0.057 0.000 1.103 318 V HN 0.178 nan 8.190 nan 0.000 0.453 319 L N 1.061 122.203 121.223 -0.135 0.000 2.191 319 L HA -0.056 4.283 4.340 -0.001 0.000 0.212 319 L C 2.506 179.379 176.870 0.004 0.000 1.103 319 L CA 1.906 56.685 54.840 -0.102 0.000 0.769 319 L CB -0.213 41.709 42.059 -0.228 0.000 0.908 319 L HN 0.542 nan 8.230 nan 0.000 0.438 320 K N -1.276 119.148 120.400 0.040 0.000 2.372 320 K HA 0.078 4.397 4.320 -0.001 0.000 0.200 320 K C 0.443 177.043 176.600 -0.001 0.000 1.022 320 K CA -0.293 56.022 56.287 0.046 0.000 1.125 320 K CB -0.139 32.415 32.500 0.089 0.000 0.855 320 K HN 0.108 nan 8.250 nan 0.000 0.524 321 N N 3.740 122.434 118.700 -0.011 0.000 2.359 321 N HA -0.078 4.661 4.740 -0.001 0.000 0.261 321 N C 0.164 175.661 175.510 -0.021 0.000 1.267 321 N CA 0.300 53.340 53.050 -0.017 0.000 0.864 321 N CB 0.547 39.020 38.487 -0.023 0.000 1.063 321 N HN 0.362 nan 8.380 nan 0.000 0.474 322 N N 3.298 121.987 118.700 -0.018 0.000 2.434 322 N HA -0.068 4.672 4.740 -0.001 0.000 0.196 322 N C -0.195 175.307 175.510 -0.014 0.000 1.183 322 N CA 0.270 53.309 53.050 -0.018 0.000 0.849 322 N CB 0.179 38.659 38.487 -0.012 0.000 0.992 322 N HN 0.475 nan 8.380 nan 0.000 0.460 323 R N 0.058 120.549 120.500 -0.015 0.000 2.467 323 R HA 0.525 4.864 4.340 -0.001 0.000 0.299 323 R C -0.969 175.321 176.300 -0.017 0.000 1.120 323 R CA -0.321 55.770 56.100 -0.014 0.000 0.940 323 R CB 0.743 31.035 30.300 -0.013 0.000 1.161 323 R HN 0.291 nan 8.270 nan 0.000 0.506 324 G N 1.049 109.839 108.800 -0.016 0.000 2.316 324 G HA2 0.123 4.082 3.960 -0.001 0.000 0.296 324 G HA3 0.123 4.082 3.960 -0.001 0.000 0.296 324 G C -1.688 173.202 174.900 -0.017 0.000 1.399 324 G CA -0.622 44.466 45.100 -0.020 0.000 0.833 324 G HN 0.341 nan 8.290 nan 0.000 0.565 325 V N 0.326 120.228 119.914 -0.020 0.000 2.740 325 V HA 0.356 4.476 4.120 -0.001 0.000 0.303 325 V C 1.785 177.869 176.094 -0.016 0.000 1.054 325 V CA 1.114 63.404 62.300 -0.017 0.000 1.106 325 V CB 1.508 33.318 31.823 -0.021 0.000 0.957 325 V HN 1.011 nan 8.190 nan 0.000 0.486 326 E N 4.577 124.771 120.200 -0.009 0.000 2.171 326 E HA -0.092 4.257 4.350 -0.001 0.000 0.197 326 E C 1.805 178.401 176.600 -0.007 0.000 0.997 326 E CA 1.961 58.360 56.400 -0.002 0.000 0.810 326 E CB -0.673 29.031 29.700 0.007 0.000 0.738 326 E HN 0.923 nan 8.360 nan 0.000 0.467 327 G N -0.703 108.087 108.800 -0.017 0.000 2.679 327 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.212 327 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.212 327 G C 0.951 175.827 174.900 -0.039 0.000 1.137 327 G CA 0.512 45.596 45.100 -0.028 0.000 0.787 327 G HN 0.315 nan 8.290 nan 0.000 0.534 328 N N -0.604 118.074 118.700 -0.037 0.000 2.299 328 N HA 0.172 4.912 4.740 -0.001 0.000 0.246 328 N C -0.547 174.937 175.510 -0.043 0.000 1.254 328 N CA -0.365 52.654 53.050 -0.051 0.000 0.879 328 N CB 0.736 39.189 38.487 -0.055 0.000 1.214 328 N HN -0.101 nan 8.380 nan 0.000 0.510 329 R N 1.099 121.587 120.500 -0.020 0.000 2.532 329 R HA 0.384 4.723 4.340 -0.001 0.000 0.297 329 R C -1.061 175.256 176.300 0.028 0.000 0.984 329 R CA -0.565 55.530 56.100 -0.008 0.000 0.884 329 R CB 1.856 32.146 30.300 -0.017 0.000 1.182 329 R HN -0.175 nan 8.270 nan 0.000 0.442 330 V N 5.090 125.047 119.914 0.072 0.000 2.260 330 V HA 0.292 4.412 4.120 -0.001 0.000 0.263 330 V C 1.326 177.504 176.094 0.141 0.000 1.036 330 V CA -0.432 61.958 62.300 0.150 0.000 0.874 330 V CB 0.752 32.745 31.823 0.284 0.000 1.116 330 V HN 0.613 nan 8.190 nan 0.000 0.454 331 R N 0.102 120.570 120.500 -0.053 0.000 2.148 331 R HA 0.022 4.361 4.340 -0.001 0.000 0.223 331 R C 0.880 177.010 176.300 -0.285 0.000 1.088 331 R CA 0.798 56.773 56.100 -0.208 0.000 0.985 331 R CB 0.062 30.104 30.300 -0.431 0.000 0.880 331 R HN 0.660 nan 8.270 nan 0.000 0.451 332 H N -0.304 118.817 119.070 0.085 0.000 2.605 332 H HA 0.312 4.867 4.556 -0.002 0.000 0.308 332 H C 0.146 175.482 175.328 0.013 0.000 1.080 332 H CA 0.310 56.388 56.048 0.049 0.000 1.119 332 H CB -0.004 29.789 29.762 0.051 0.000 1.479 332 H HN 0.083 nan 8.280 nan 0.000 0.537 333 M N 0.336 119.939 119.600 0.004 0.000 2.550 333 M HA 0.248 4.728 4.480 -0.001 0.000 0.292 333 M C -0.853 175.195 176.300 -0.421 0.000 1.221 333 M CA -0.844 54.349 55.300 -0.179 0.000 0.873 333 M CB 2.830 35.288 32.600 -0.238 0.000 1.727 333 M HN -0.073 nan 8.290 nan 0.000 0.459 334 D N 0.554 120.700 120.400 -0.422 0.000 2.268 334 D HA 0.542 5.182 4.640 -0.001 0.000 0.249 334 D C -1.479 174.357 176.300 -0.773 0.000 1.008 334 D CA 0.128 53.863 54.000 -0.441 0.000 0.939 334 D CB 1.325 42.084 40.800 -0.068 0.000 1.170 334 D HN 0.297 nan 8.370 nan 0.000 0.468 335 Y N -0.853 119.310 120.300 -0.228 0.000 2.485 335 Y HA 0.547 5.096 4.550 -0.002 0.000 0.345 335 Y C 0.778 176.451 175.900 -0.378 0.000 0.998 335 Y CA -1.089 56.861 58.100 -0.250 0.000 1.059 335 Y CB 2.373 40.805 38.460 -0.047 0.000 1.234 335 Y HN 0.339 nan 8.280 nan 0.000 0.461 336 G N 1.587 110.121 108.800 -0.444 0.000 2.502 336 G HA2 0.535 4.494 3.960 -0.001 0.000 0.311 336 G HA3 0.535 4.494 3.960 -0.001 0.000 0.311 336 G C -1.419 173.314 174.900 -0.278 0.000 1.270 336 G CA -0.611 44.293 45.100 -0.327 0.000 0.948 336 G HN 0.453 nan 8.290 nan 0.000 0.487 337 V N 2.578 122.380 119.914 -0.186 0.000 2.583 337 V HA 0.242 4.362 4.120 -0.001 0.000 0.287 337 V C 0.229 176.319 176.094 -0.007 0.000 1.051 337 V CA -0.352 61.802 62.300 -0.243 0.000 1.010 337 V CB 1.322 33.052 31.823 -0.154 0.000 0.988 337 V HN 0.729 nan 8.190 nan 0.000 0.478 338 Q N 4.492 124.317 119.800 0.041 0.000 2.340 338 Q HA 0.639 4.979 4.340 -0.001 0.000 0.259 338 Q C -0.958 175.157 176.000 0.191 0.000 0.964 338 Q CA -0.153 55.750 55.803 0.165 0.000 0.900 338 Q CB 1.775 30.694 28.738 0.302 0.000 1.228 338 Q HN 0.638 nan 8.270 nan 0.000 0.449 339 I N 1.962 122.585 120.570 0.088 0.000 2.846 339 I HA 0.476 4.645 4.170 -0.001 0.000 0.307 339 I C -0.256 175.827 176.117 -0.056 0.000 1.053 339 I CA -1.020 60.291 61.300 0.018 0.000 1.050 339 I CB 1.853 39.744 38.000 -0.181 0.000 1.239 339 I HN 0.637 nan 8.210 nan 0.000 0.439 340 N N 2.070 120.728 118.700 -0.070 0.000 2.831 340 N HA 0.303 5.042 4.740 -0.001 0.000 0.276 340 N C 0.034 175.542 175.510 -0.004 0.000 1.416 340 N CA -1.037 51.950 53.050 -0.105 0.000 0.799 340 N CB 1.036 39.327 38.487 -0.328 0.000 1.554 340 N HN 0.509 nan 8.380 nan 0.000 0.541 341 K N -0.783 119.636 120.400 0.031 0.000 2.063 341 K HA -0.079 4.241 4.320 -0.001 0.000 0.208 341 K C 1.620 178.247 176.600 0.045 0.000 1.048 341 K CA 1.159 57.464 56.287 0.031 0.000 0.928 341 K CB -0.284 32.280 32.500 0.108 0.000 0.713 341 K HN 0.437 nan 8.250 nan 0.000 0.442 342 L N 1.118 122.370 121.223 0.048 0.000 2.013 342 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 342 L C 2.200 179.101 176.870 0.052 0.000 1.073 342 L CA 1.767 56.645 54.840 0.065 0.000 0.753 342 L CB -0.379 41.742 42.059 0.105 0.000 0.890 342 L HN 0.286 nan 8.230 nan 0.000 0.432 343 M N -1.768 117.851 119.600 0.031 0.000 2.080 343 M HA -0.268 4.211 4.480 -0.001 0.000 0.260 343 M C 2.436 178.787 176.300 0.085 0.000 1.068 343 M CA 1.878 57.214 55.300 0.060 0.000 1.109 343 M CB -1.485 31.116 32.600 0.001 0.000 1.342 343 M HN 0.256 nan 8.290 nan 0.000 0.405 344 Y N 0.857 121.183 120.300 0.043 0.000 2.224 344 Y HA -0.146 4.403 4.550 -0.001 0.000 0.289 344 Y C 2.796 178.609 175.900 -0.145 0.000 1.146 344 Y CA 1.656 59.675 58.100 -0.135 0.000 1.182 344 Y CB -1.431 36.831 38.460 -0.330 0.000 0.983 344 Y HN 0.285 nan 8.280 nan 0.000 0.524 345 T N 0.146 114.740 114.554 0.067 0.000 2.684 345 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 345 T C 2.040 176.759 174.700 0.032 0.000 1.036 345 T CA 1.307 63.427 62.100 0.034 0.000 1.148 345 T CB -0.132 68.762 68.868 0.044 0.000 0.863 345 T HN 0.206 nan 8.240 nan 0.000 0.436 346 R N 0.723 121.260 120.500 0.061 0.000 2.103 346 R HA -0.054 4.285 4.340 -0.001 0.000 0.242 346 R C 2.424 178.749 176.300 0.043 0.000 1.142 346 R CA 0.995 57.140 56.100 0.075 0.000 0.960 346 R CB -1.217 29.159 30.300 0.127 0.000 0.858 346 R HN 0.362 nan 8.270 nan 0.000 0.439 347 L N 1.079 122.296 121.223 -0.011 0.000 2.017 347 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 347 L C 2.215 179.029 176.870 -0.093 0.000 1.073 347 L CA 1.591 56.356 54.840 -0.124 0.000 0.745 347 L CB -0.530 41.218 42.059 -0.518 0.000 0.894 347 L HN 0.068 nan 8.230 nan 0.000 0.432 348 L N -0.502 120.674 121.223 -0.079 0.000 2.046 348 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 348 L C 2.411 179.268 176.870 -0.022 0.000 1.077 348 L CA 1.609 56.419 54.840 -0.051 0.000 0.747 348 L CB -0.630 41.404 42.059 -0.041 0.000 0.896 348 L HN 0.271 nan 8.230 nan 0.000 0.432 349 K N -0.004 120.393 120.400 -0.005 0.000 2.486 349 K HA 0.087 4.407 4.320 -0.001 0.000 0.194 349 K C 1.082 177.689 176.600 0.012 0.000 1.033 349 K CA 0.564 56.856 56.287 0.008 0.000 1.004 349 K CB 0.086 32.597 32.500 0.019 0.000 0.798 349 K HN 0.420 nan 8.250 nan 0.000 0.495 350 G N 2.303 111.110 108.800 0.011 0.000 2.198 350 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.257 350 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.257 350 G C -0.263 174.656 174.900 0.032 0.000 1.042 350 G CA 0.300 45.411 45.100 0.019 0.000 0.791 350 G HN 0.392 nan 8.290 nan 0.000 0.502 351 E N -0.385 119.841 120.200 0.043 0.000 2.961 351 E HA 0.531 4.880 4.350 -0.001 0.000 0.254 351 E C -0.314 176.327 176.600 0.068 0.000 1.192 351 E CA -0.690 55.741 56.400 0.052 0.000 1.069 351 E CB 0.603 30.339 29.700 0.060 0.000 1.338 351 E HN 0.364 nan 8.360 nan 0.000 0.596 352 D N -0.316 120.127 120.400 0.072 0.000 2.326 352 D HA 0.424 5.064 4.640 -0.001 0.000 0.248 352 D C -0.733 175.638 176.300 0.118 0.000 1.001 352 D CA -0.437 53.609 54.000 0.078 0.000 0.961 352 D CB 1.374 42.203 40.800 0.047 0.000 1.183 352 D HN 0.158 nan 8.370 nan 0.000 0.502 353 I N 0.607 121.252 120.570 0.124 0.000 2.404 353 I HA 0.254 4.424 4.170 -0.001 0.000 0.293 353 I C -0.343 175.850 176.117 0.127 0.000 0.992 353 I CA -0.524 60.886 61.300 0.184 0.000 1.149 353 I CB 1.925 40.037 38.000 0.186 0.000 1.315 353 I HN 0.206 nan 8.210 nan 0.000 0.446 354 T N 7.024 121.677 114.554 0.165 0.000 2.767 354 T HA 0.502 4.852 4.350 -0.001 0.000 0.288 354 T C -0.109 174.480 174.700 -0.185 0.000 0.963 354 T CA -0.465 61.546 62.100 -0.148 0.000 1.019 354 T CB 0.554 69.163 68.868 -0.432 0.000 0.923 354 T HN 0.251 nan 8.240 nan 0.000 0.468 355 L N 4.123 125.180 121.223 -0.276 0.000 2.292 355 L HA 0.610 4.950 4.340 -0.001 0.000 0.284 355 L C -0.744 175.895 176.870 -0.383 0.000 1.065 355 L CA -0.609 54.157 54.840 -0.125 0.000 0.806 355 L CB 0.471 42.508 42.059 -0.036 0.000 1.175 355 L HN 0.543 nan 8.230 nan 0.000 0.431 356 F N 0.135 120.191 119.950 0.176 0.000 2.603 356 F HA 0.399 4.926 4.527 -0.000 0.000 0.317 356 F C 0.368 176.185 175.800 0.028 0.000 1.066 356 F CA -0.754 57.285 58.000 0.065 0.000 0.941 356 F CB 2.136 41.141 39.000 0.008 0.000 1.291 356 F HN 0.318 nan 8.300 nan 0.000 0.472 357 S N 2.361 118.138 115.700 0.130 0.000 2.499 357 S HA 0.371 4.840 4.470 -0.001 0.000 0.279 357 S C -1.886 172.740 174.600 0.043 0.000 1.219 357 S CA -1.542 56.610 58.200 -0.080 0.000 1.062 357 S CB 1.223 64.365 63.200 -0.095 0.000 0.978 357 S HN 0.325 nan 8.310 nan 0.000 0.489 358 P HA -0.130 nan 4.420 nan 0.000 0.217 358 P C 1.521 178.829 177.300 0.012 0.000 1.148 358 P CA 1.418 64.609 63.100 0.152 0.000 0.828 358 P CB -0.211 31.540 31.700 0.085 0.000 0.783 359 S N -1.327 114.335 115.700 -0.063 0.000 2.447 359 S HA -0.106 4.364 4.470 -0.001 0.000 0.233 359 S C 1.299 175.835 174.600 -0.106 0.000 1.006 359 S CA 1.084 59.225 58.200 -0.097 0.000 0.957 359 S CB -0.913 62.207 63.200 -0.133 0.000 0.773 359 S HN 0.084 nan 8.310 nan 0.000 0.507 360 D N 1.412 121.742 120.400 -0.117 0.000 2.339 360 D HA 0.143 4.783 4.640 -0.001 0.000 0.217 360 D C 0.341 176.433 176.300 -0.346 0.000 1.050 360 D CA 0.319 54.217 54.000 -0.170 0.000 0.856 360 D CB 0.807 41.539 40.800 -0.113 0.000 0.922 360 D HN 0.519 nan 8.370 nan 0.000 0.518 361 V N -0.976 118.698 119.914 -0.400 0.000 2.320 361 V HA 0.428 4.547 4.120 -0.001 0.000 0.268 361 V C -2.906 172.962 176.094 -0.377 0.000 1.021 361 V CA -2.342 59.481 62.300 -0.795 0.000 0.813 361 V CB 1.069 32.302 31.823 -0.982 0.000 1.054 361 V HN -0.278 nan 8.190 nan 0.000 0.444 362 P HA 0.272 nan 4.420 nan 0.000 0.261 362 P C 1.293 178.664 177.300 0.118 0.000 1.183 362 P CA 1.949 65.047 63.100 -0.003 0.000 0.761 362 P CB 0.828 32.543 31.700 0.025 0.000 0.785 363 G N 2.688 111.562 108.800 0.124 0.000 2.284 363 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.247 363 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.247 363 G C 0.898 175.914 174.900 0.193 0.000 1.012 363 G CA 0.203 45.394 45.100 0.152 0.000 0.618 363 G HN 0.516 nan 8.290 nan 0.000 0.521 364 L N -0.613 120.716 121.223 0.178 0.000 1.976 364 L HA -0.058 4.282 4.340 -0.001 0.000 0.209 364 L C 2.427 179.523 176.870 0.377 0.000 1.071 364 L CA 2.885 57.809 54.840 0.140 0.000 0.746 364 L CB -0.688 41.293 42.059 -0.131 0.000 0.890 364 L HN 0.449 nan 8.230 nan 0.000 0.432 365 Y N 1.399 121.923 120.300 0.374 0.000 2.069 365 Y HA -0.373 4.176 4.550 -0.001 0.000 0.278 365 Y C 2.202 178.442 175.900 0.565 0.000 1.175 365 Y CA 2.424 60.872 58.100 0.580 0.000 1.134 365 Y CB -0.391 38.375 38.460 0.511 0.000 0.965 365 Y HN 0.401 nan 8.280 nan 0.000 0.498 366 D N -0.136 120.583 120.400 0.531 0.000 2.123 366 D HA -0.203 4.437 4.640 -0.001 0.000 0.196 366 D C 2.272 178.775 176.300 0.338 0.000 0.992 366 D CA 1.550 55.799 54.000 0.415 0.000 0.833 366 D CB -0.493 40.487 40.800 0.301 0.000 0.954 366 D HN 0.465 nan 8.370 nan 0.000 0.455 367 A N 0.414 123.423 122.820 0.315 0.000 1.940 367 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 367 A C 1.953 179.703 177.584 0.278 0.000 1.176 367 A CA 0.949 53.159 52.037 0.289 0.000 0.631 367 A CB -1.046 18.135 19.000 0.303 0.000 0.814 367 A HN 0.262 nan 8.150 nan 0.000 0.446 368 F N -0.191 119.791 119.950 0.053 0.000 2.147 368 F HA -0.215 4.311 4.527 -0.001 0.000 0.301 368 F C 1.642 177.096 175.800 -0.577 0.000 1.084 368 F CA 1.664 59.369 58.000 -0.492 0.000 1.268 368 F CB -0.419 38.256 39.000 -0.542 0.000 1.009 368 F HN 0.258 nan 8.300 nan 0.000 0.486 369 F N -1.185 118.693 119.950 -0.120 0.000 2.437 369 F HA 0.282 4.809 4.527 -0.001 0.000 0.288 369 F C 2.310 178.050 175.800 -0.100 0.000 1.085 369 F CA 0.776 58.655 58.000 -0.202 0.000 1.430 369 F CB -1.110 37.796 39.000 -0.157 0.000 1.120 369 F HN -0.072 nan 8.300 nan 0.000 0.556 370 A N -1.913 121.002 122.820 0.158 0.000 2.115 370 A HA 0.120 4.440 4.320 -0.001 0.000 0.211 370 A C -0.051 177.577 177.584 0.074 0.000 1.169 370 A CA 0.662 52.762 52.037 0.105 0.000 0.787 370 A CB 0.118 19.185 19.000 0.112 0.000 0.858 370 A HN 0.174 nan 8.150 nan 0.000 0.474 371 D N -1.008 119.440 120.400 0.082 0.000 2.470 371 D HA 0.195 4.834 4.640 -0.001 0.000 0.233 371 D C 0.151 176.513 176.300 0.103 0.000 1.372 371 D CA -0.267 53.780 54.000 0.078 0.000 0.994 371 D CB 1.044 41.893 40.800 0.081 0.000 1.377 371 D HN -0.041 nan 8.370 nan 0.000 0.586 372 Q N 1.640 121.485 119.800 0.074 0.000 2.230 372 Q HA -0.049 4.290 4.340 -0.001 0.000 0.202 372 Q C 1.219 177.305 176.000 0.143 0.000 0.963 372 Q CA 0.914 56.778 55.803 0.101 0.000 0.866 372 Q CB 0.456 29.223 28.738 0.048 0.000 0.931 372 Q HN 0.641 nan 8.270 nan 0.000 0.452 373 E N 0.814 121.071 120.200 0.094 0.000 2.047 373 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 373 E C 1.856 178.498 176.600 0.069 0.000 0.987 373 E CA 1.014 57.457 56.400 0.071 0.000 0.799 373 E CB -0.012 29.714 29.700 0.043 0.000 0.752 373 E HN 0.327 nan 8.360 nan 0.000 0.449 374 E N 0.780 121.026 120.200 0.076 0.000 2.110 374 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 374 E C 1.799 178.440 176.600 0.067 0.000 0.988 374 E CA 0.626 57.059 56.400 0.054 0.000 0.804 374 E CB -0.367 29.369 29.700 0.061 0.000 0.745 374 E HN 0.189 nan 8.360 nan 0.000 0.458 375 F N 1.415 121.369 119.950 0.007 0.000 2.069 375 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 375 F C 2.206 178.004 175.800 -0.002 0.000 1.113 375 F CA 2.129 60.132 58.000 0.006 0.000 1.214 375 F CB -0.266 38.754 39.000 0.033 0.000 0.978 375 F HN 0.087 nan 8.300 nan 0.000 0.474 376 E N -0.005 120.248 120.200 0.088 0.000 2.110 376 E HA -0.271 4.079 4.350 -0.001 0.000 0.193 376 E C 2.493 179.046 176.600 -0.077 0.000 0.988 376 E CA 1.051 57.456 56.400 0.008 0.000 0.804 376 E CB -0.183 29.568 29.700 0.086 0.000 0.745 376 E HN 0.380 nan 8.360 nan 0.000 0.458 377 R N 0.361 120.811 120.500 -0.082 0.000 2.088 377 R HA -0.162 4.177 4.340 -0.001 0.000 0.232 377 R C 2.553 178.705 176.300 -0.247 0.000 1.136 377 R CA 1.485 57.509 56.100 -0.127 0.000 0.926 377 R CB -0.349 29.892 30.300 -0.099 0.000 0.837 377 R HN 0.177 nan 8.270 nan 0.000 0.429 378 L N -0.509 120.524 121.223 -0.316 0.000 2.012 378 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 378 L C 2.487 178.983 176.870 -0.623 0.000 1.073 378 L CA 1.525 56.033 54.840 -0.553 0.000 0.748 378 L CB -0.671 41.147 42.059 -0.402 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 Y N 1.167 121.071 120.300 -0.660 0.000 2.128 379 Y HA -0.328 4.221 4.550 -0.001 0.000 0.284 379 Y C 2.987 178.704 175.900 -0.305 0.000 1.154 379 Y CA 2.278 60.017 58.100 -0.601 0.000 1.149 379 Y CB -0.453 37.518 38.460 -0.814 0.000 0.976 379 Y HN 0.337 nan 8.280 nan 0.000 0.505 380 T N -1.916 112.547 114.554 -0.152 0.000 2.821 380 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 380 T C 1.954 176.544 174.700 -0.184 0.000 1.046 380 T CA 1.433 63.462 62.100 -0.120 0.000 1.139 380 T CB -0.456 68.384 68.868 -0.048 0.000 0.871 380 T HN 0.315 nan 8.240 nan 0.000 0.454 381 K N 0.175 120.407 120.400 -0.280 0.000 1.987 381 K HA -0.197 4.123 4.320 -0.001 0.000 0.216 381 K C 2.123 178.576 176.600 -0.246 0.000 1.051 381 K CA 1.811 57.912 56.287 -0.310 0.000 0.942 381 K CB -0.487 31.723 32.500 -0.483 0.000 0.722 381 K HN 0.346 nan 8.250 nan 0.000 0.444 382 Y N 1.666 121.807 120.300 -0.265 0.000 2.315 382 Y HA -0.176 4.374 4.550 -0.001 0.000 0.288 382 Y C 2.114 177.967 175.900 -0.079 0.000 1.154 382 Y CA 1.238 59.166 58.100 -0.285 0.000 1.229 382 Y CB -0.517 37.530 38.460 -0.688 0.000 0.980 382 Y HN 0.325 nan 8.280 nan 0.000 0.540 383 E N -0.106 120.121 120.200 0.045 0.000 2.077 383 E HA -0.223 4.127 4.350 -0.001 0.000 0.193 383 E C 1.924 178.536 176.600 0.019 0.000 0.989 383 E CA 1.410 57.836 56.400 0.043 0.000 0.800 383 E CB -0.068 29.578 29.700 -0.090 0.000 0.746 383 E HN 0.247 nan 8.360 nan 0.000 0.452 384 K N 0.868 121.264 120.400 -0.007 0.000 2.243 384 K HA -0.015 4.305 4.320 -0.001 0.000 0.201 384 K C 0.399 177.004 176.600 0.009 0.000 1.051 384 K CA 0.237 56.519 56.287 -0.008 0.000 0.970 384 K CB 0.016 32.499 32.500 -0.027 0.000 0.755 384 K HN -0.012 nan 8.250 nan 0.000 0.465 385 D N 1.631 122.051 120.400 0.032 0.000 2.389 385 D HA -0.091 4.548 4.640 -0.001 0.000 0.263 385 D C -0.095 176.231 176.300 0.042 0.000 1.255 385 D CA 0.386 54.413 54.000 0.046 0.000 0.914 385 D CB 0.498 41.357 40.800 0.098 0.000 1.116 385 D HN 0.123 nan 8.370 nan 0.000 0.502 386 D N 2.033 122.445 120.400 0.020 0.000 2.348 386 D HA -0.091 4.548 4.640 -0.001 0.000 0.216 386 D C 1.480 177.785 176.300 0.009 0.000 0.970 386 D CA 0.531 54.537 54.000 0.011 0.000 0.889 386 D CB 0.379 41.180 40.800 0.002 0.000 0.912 386 D HN 0.378 nan 8.370 nan 0.000 0.524 387 S N 0.443 116.150 115.700 0.011 0.000 2.489 387 S HA 0.010 4.479 4.470 -0.001 0.000 0.228 387 S C 1.218 175.815 174.600 -0.004 0.000 0.995 387 S CA 0.116 58.317 58.200 0.001 0.000 0.934 387 S CB 0.455 63.654 63.200 -0.002 0.000 0.771 387 S HN 0.158 nan 8.310 nan 0.000 0.522 388 I N 2.603 123.178 120.570 0.008 0.000 2.441 388 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 388 I C 0.651 176.788 176.117 0.034 0.000 1.049 388 I CA -0.316 60.989 61.300 0.010 0.000 1.381 388 I CB 0.393 38.406 38.000 0.022 0.000 1.409 388 I HN 0.118 nan 8.210 nan 0.000 0.523 389 R N 6.937 127.448 120.500 0.018 0.000 2.401 389 R HA 0.212 4.552 4.340 -0.001 0.000 0.299 389 R C -0.306 175.988 176.300 -0.011 0.000 1.064 389 R CA 0.043 56.142 56.100 -0.002 0.000 1.000 389 R CB 0.518 30.811 30.300 -0.012 0.000 0.973 389 R HN 0.830 nan 8.270 nan 0.000 0.438 390 K N 2.261 122.608 120.400 -0.088 0.000 2.466 390 K HA 0.369 4.688 4.320 -0.001 0.000 0.277 390 K C -1.542 174.935 176.600 -0.205 0.000 1.039 390 K CA -1.086 55.052 56.287 -0.248 0.000 0.904 390 K CB 1.739 33.999 32.500 -0.400 0.000 1.506 390 K HN 0.480 nan 8.250 nan 0.000 0.441 391 Q N 0.541 120.183 119.800 -0.263 0.000 2.353 391 Q HA 0.338 4.678 4.340 -0.001 0.000 0.275 391 Q C -1.560 174.342 176.000 -0.162 0.000 1.029 391 Q CA -0.803 54.903 55.803 -0.161 0.000 0.848 391 Q CB 2.416 31.089 28.738 -0.108 0.000 1.390 391 Q HN 0.575 nan 8.270 nan 0.000 0.401 392 R N 1.492 121.930 120.500 -0.103 0.000 2.393 392 R HA 0.617 4.957 4.340 -0.001 0.000 0.310 392 R C -0.668 175.614 176.300 -0.030 0.000 0.968 392 R CA -0.567 55.491 56.100 -0.070 0.000 0.867 392 R CB 1.748 32.014 30.300 -0.056 0.000 1.124 392 R HN 0.482 nan 8.270 nan 0.000 0.450 393 V N -0.527 119.386 119.914 -0.002 0.000 2.876 393 V HA 0.485 4.605 4.120 -0.001 0.000 0.312 393 V C -0.526 175.594 176.094 0.043 0.000 1.085 393 V CA -1.391 60.919 62.300 0.017 0.000 0.945 393 V CB 2.080 33.914 31.823 0.019 0.000 1.017 393 V HN 0.451 nan 8.190 nan 0.000 0.428 394 K N 2.576 123.002 120.400 0.045 0.000 2.402 394 K HA 0.578 4.897 4.320 -0.001 0.000 0.285 394 K C 1.205 177.864 176.600 0.098 0.000 1.054 394 K CA 0.722 57.045 56.287 0.061 0.000 1.001 394 K CB 0.764 33.292 32.500 0.047 0.000 0.946 394 K HN 0.994 nan 8.250 nan 0.000 0.473 395 A N 3.950 126.848 122.820 0.130 0.000 1.927 395 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 395 A C 1.907 179.654 177.584 0.272 0.000 1.185 395 A CA 2.230 54.403 52.037 0.226 0.000 0.639 395 A CB -0.630 18.495 19.000 0.209 0.000 0.820 395 A HN 0.551 nan 8.150 nan 0.000 0.451 396 V N 0.093 120.098 119.914 0.153 0.000 2.407 396 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 396 V C 2.426 178.604 176.094 0.140 0.000 1.055 396 V CA 2.221 64.598 62.300 0.129 0.000 1.049 396 V CB -0.817 31.044 31.823 0.064 0.000 0.662 396 V HN 0.639 nan 8.190 nan 0.000 0.455 397 E N -0.251 120.012 120.200 0.106 0.000 2.047 397 E HA -0.219 4.130 4.350 -0.001 0.000 0.191 397 E C 2.192 178.840 176.600 0.079 0.000 0.987 397 E CA 1.212 57.657 56.400 0.076 0.000 0.799 397 E CB -0.261 29.468 29.700 0.049 0.000 0.752 397 E HN 0.371 nan 8.360 nan 0.000 0.449 398 L N 0.455 121.728 121.223 0.084 0.000 2.017 398 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 398 L C 2.135 179.003 176.870 -0.002 0.000 1.073 398 L CA 1.631 56.484 54.840 0.021 0.000 0.745 398 L CB -0.635 41.418 42.059 -0.010 0.000 0.894 398 L HN 0.019 nan 8.230 nan 0.000 0.432 399 F N -0.729 119.234 119.950 0.022 0.000 2.171 399 F HA -0.204 4.322 4.527 -0.001 0.000 0.300 399 F C 2.545 178.361 175.800 0.026 0.000 1.090 399 F CA 1.624 59.639 58.000 0.025 0.000 1.293 399 F CB -0.497 38.521 39.000 0.030 0.000 1.013 399 F HN 0.069 nan 8.300 nan 0.000 0.486 400 S N -0.073 115.740 115.700 0.188 0.000 2.414 400 S HA -0.115 4.354 4.470 -0.001 0.000 0.227 400 S C 1.889 176.524 174.600 0.058 0.000 1.022 400 S CA 0.706 58.969 58.200 0.105 0.000 0.958 400 S CB -0.467 62.777 63.200 0.074 0.000 0.797 400 S HN 0.262 nan 8.310 nan 0.000 0.493 401 L N 2.002 123.250 121.223 0.042 0.000 2.017 401 L HA 0.047 4.387 4.340 -0.001 0.000 0.208 401 L C 2.246 179.122 176.870 0.009 0.000 1.073 401 L CA 1.736 56.585 54.840 0.014 0.000 0.745 401 L CB -0.634 41.426 42.059 0.002 0.000 0.894 401 L HN 0.339 nan 8.230 nan 0.000 0.432 402 M N -1.497 118.104 119.600 0.002 0.000 2.065 402 M HA -0.253 4.226 4.480 -0.001 0.000 0.259 402 M C 2.060 178.378 176.300 0.029 0.000 1.069 402 M CA 2.013 57.312 55.300 -0.001 0.000 1.110 402 M CB -0.080 32.487 32.600 -0.055 0.000 1.328 402 M HN 0.282 nan 8.290 nan 0.000 0.405 403 M N 0.071 119.706 119.600 0.059 0.000 2.213 403 M HA -0.209 4.271 4.480 -0.001 0.000 0.263 403 M C 2.157 178.470 176.300 0.022 0.000 1.062 403 M CA 1.667 57.005 55.300 0.063 0.000 1.105 403 M CB -1.622 31.032 32.600 0.090 0.000 1.385 403 M HN 0.554 nan 8.290 nan 0.000 0.417 404 Q N 0.356 120.163 119.800 0.012 0.000 2.079 404 Q HA -0.172 4.167 4.340 -0.001 0.000 0.200 404 Q C 1.617 177.613 176.000 -0.006 0.000 0.974 404 Q CA 1.203 57.002 55.803 -0.007 0.000 0.840 404 Q CB 0.158 28.892 28.738 -0.007 0.000 0.898 404 Q HN 0.372 nan 8.270 nan 0.000 0.430 405 E N 0.625 120.826 120.200 0.001 0.000 2.150 405 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 405 E C 1.957 178.558 176.600 0.002 0.000 0.985 405 E CA 0.843 57.243 56.400 -0.001 0.000 0.814 405 E CB -0.202 29.498 29.700 -0.000 0.000 0.752 405 E HN 0.370 nan 8.360 nan 0.000 0.466 406 R N 0.660 121.168 120.500 0.013 0.000 2.075 406 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 406 R C 2.183 178.503 176.300 0.033 0.000 1.126 406 R CA 1.367 57.482 56.100 0.025 0.000 0.963 406 R CB -0.127 30.211 30.300 0.064 0.000 0.858 406 R HN 0.111 nan 8.270 nan 0.000 0.435 407 A N 0.366 123.197 122.820 0.018 0.000 1.898 407 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 407 A C 2.178 179.764 177.584 0.002 0.000 1.181 407 A CA 1.827 53.867 52.037 0.005 0.000 0.620 407 A CB -0.658 18.314 19.000 -0.047 0.000 0.819 407 A HN 0.591 nan 8.150 nan 0.000 0.442 408 S N -0.601 115.095 115.700 -0.007 0.000 2.414 408 S HA -0.119 4.350 4.470 -0.001 0.000 0.227 408 S C 1.877 176.473 174.600 -0.006 0.000 1.022 408 S CA 1.885 60.079 58.200 -0.009 0.000 0.958 408 S CB -0.840 62.352 63.200 -0.013 0.000 0.797 408 S HN 0.762 nan 8.310 nan 0.000 0.493 409 T N -3.525 111.025 114.554 -0.006 0.000 3.039 409 T HA 0.496 4.845 4.350 -0.001 0.000 0.250 409 T C 1.822 176.513 174.700 -0.015 0.000 1.052 409 T CA 1.003 63.096 62.100 -0.012 0.000 1.125 409 T CB -0.371 68.489 68.868 -0.015 0.000 0.908 409 T HN 1.234 nan 8.240 nan 0.000 0.473 410 G N 2.250 111.050 108.800 0.001 0.000 2.225 410 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.254 410 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.254 410 G C 0.816 175.741 174.900 0.041 0.000 0.988 410 G CA 0.145 45.263 45.100 0.030 0.000 0.625 410 G HN 0.581 nan 8.290 nan 0.000 0.527 411 R N -0.040 120.410 120.500 -0.084 0.000 2.700 411 R HA 0.403 4.743 4.340 -0.001 0.000 0.377 411 R C -0.056 175.830 176.300 -0.690 0.000 1.130 411 R CA -0.236 55.661 56.100 -0.339 0.000 1.055 411 R CB 0.467 30.672 30.300 -0.159 0.000 1.387 411 R HN 0.347 nan 8.270 nan 0.000 0.580 412 I N 2.227 122.548 120.570 -0.415 0.000 2.371 412 I HA 0.272 4.442 4.170 -0.001 0.000 0.282 412 I C -0.256 175.749 176.117 -0.186 0.000 1.031 412 I CA -1.567 59.558 61.300 -0.292 0.000 1.180 412 I CB 0.061 38.021 38.000 -0.067 0.000 1.336 412 I HN -0.037 nan 8.210 nan 0.000 0.467 413 Y N 6.125 126.468 120.300 0.071 0.000 2.374 413 Y HA 0.572 5.122 4.550 0.000 0.000 0.322 413 Y C 0.368 176.324 175.900 0.093 0.000 1.275 413 Y CA -1.234 56.930 58.100 0.106 0.000 1.307 413 Y CB 0.855 39.392 38.460 0.128 0.000 1.282 413 Y HN 0.301 nan 8.280 nan 0.000 0.509 414 I N 0.968 121.738 120.570 0.334 0.000 2.474 414 I HA 0.337 4.506 4.170 -0.001 0.000 0.294 414 I C -0.708 175.570 176.117 0.268 0.000 1.005 414 I CA -0.599 60.854 61.300 0.255 0.000 1.113 414 I CB 1.923 40.083 38.000 0.267 0.000 1.289 414 I HN 0.531 nan 8.210 nan 0.000 0.436 415 Q N 5.369 125.313 119.800 0.239 0.000 2.290 415 Q HA 0.409 4.748 4.340 -0.001 0.000 0.269 415 Q C -1.459 174.634 176.000 0.155 0.000 1.016 415 Q CA -0.745 55.187 55.803 0.215 0.000 0.754 415 Q CB 1.260 30.144 28.738 0.242 0.000 1.247 415 Q HN 0.516 nan 8.270 nan 0.000 0.451 416 N N 4.262 123.053 118.700 0.152 0.000 2.555 416 N HA 0.048 4.788 4.740 -0.001 0.000 0.244 416 N C 1.126 176.636 175.510 0.000 0.000 1.114 416 N CA 0.115 53.228 53.050 0.106 0.000 0.963 416 N CB 1.506 40.072 38.487 0.133 0.000 1.276 416 N HN 0.585 nan 8.380 nan 0.000 0.510 417 V N -0.165 119.672 119.914 -0.128 0.000 2.515 417 V HA -0.221 3.899 4.120 -0.001 0.000 0.250 417 V C 1.622 177.622 176.094 -0.156 0.000 1.058 417 V CA 1.568 63.758 62.300 -0.184 0.000 1.064 417 V CB -0.405 31.104 31.823 -0.523 0.000 0.675 417 V HN 0.386 nan 8.190 nan 0.000 0.461 418 D N 0.175 120.463 120.400 -0.186 0.000 2.084 418 D HA -0.252 4.388 4.640 -0.001 0.000 0.194 418 D C 1.964 178.313 176.300 0.082 0.000 0.990 418 D CA 2.163 56.119 54.000 -0.074 0.000 0.826 418 D CB -0.994 39.778 40.800 -0.047 0.000 0.971 418 D HN 0.507 nan 8.370 nan 0.000 0.453 419 H N -0.011 119.055 119.070 -0.007 0.000 2.390 419 H HA -0.032 4.523 4.556 -0.001 0.000 0.298 419 H C 2.324 177.663 175.328 0.017 0.000 1.106 419 H CA 0.708 56.742 56.048 -0.024 0.000 1.297 419 H CB -0.956 28.766 29.762 -0.067 0.000 1.375 419 H HN 0.302 nan 8.280 nan 0.000 0.509 420 C N 0.461 119.843 119.300 0.137 0.000 2.432 420 C HA -0.023 4.436 4.460 -0.001 0.000 0.282 420 C C 2.158 177.185 174.990 0.062 0.000 1.388 420 C CA 0.639 59.705 59.018 0.080 0.000 1.777 420 C CB -0.441 27.327 27.740 0.047 0.000 1.882 420 C HN 0.604 nan 8.230 nan 0.000 0.520 421 N N -0.439 118.299 118.700 0.062 0.000 2.273 421 N HA -0.029 4.710 4.740 -0.001 0.000 0.192 421 N C 1.723 177.259 175.510 0.044 0.000 1.132 421 N CA 1.205 54.286 53.050 0.051 0.000 0.887 421 N CB -0.016 38.501 38.487 0.050 0.000 1.048 421 N HN 0.656 nan 8.380 nan 0.000 0.490 422 T N -2.357 112.233 114.554 0.061 0.000 3.054 422 T HA -0.026 4.323 4.350 -0.001 0.000 0.259 422 T C 0.637 175.374 174.700 0.062 0.000 1.092 422 T CA 0.828 62.956 62.100 0.047 0.000 1.121 422 T CB -0.149 68.747 68.868 0.047 0.000 0.912 422 T HN 0.091 nan 8.240 nan 0.000 0.489 423 H N 1.185 120.224 119.070 -0.051 0.000 2.418 423 H HA 0.654 5.210 4.556 -0.001 0.000 0.238 423 H C -0.666 174.622 175.328 -0.065 0.000 1.403 423 H CA -0.576 55.421 56.048 -0.084 0.000 1.419 423 H CB 0.272 29.965 29.762 -0.114 0.000 1.463 423 H HN 0.336 nan 8.280 nan 0.000 0.515 424 S N 3.012 118.564 115.700 -0.246 0.000 2.625 424 S HA 0.379 4.848 4.470 -0.001 0.000 0.271 424 S C -2.428 171.987 174.600 -0.308 0.000 1.161 424 S CA -1.256 56.801 58.200 -0.238 0.000 0.820 424 S CB 1.623 64.804 63.200 -0.032 0.000 1.137 424 S HN 0.252 nan 8.310 nan 0.000 0.470 425 P HA 0.227 nan 4.420 nan 0.000 0.237 425 P C -0.375 176.523 177.300 -0.669 0.000 1.178 425 P CA 0.515 63.256 63.100 -0.598 0.000 0.766 425 P CB -0.268 31.087 31.700 -0.575 0.000 0.876 426 F N 0.240 120.132 119.950 -0.096 0.000 2.507 426 F HA 0.376 4.903 4.527 -0.001 0.000 0.327 426 F C 0.681 176.435 175.800 -0.076 0.000 1.068 426 F CA -1.281 56.678 58.000 -0.068 0.000 0.965 426 F CB 0.732 39.707 39.000 -0.041 0.000 1.192 426 F HN -0.337 nan 8.300 nan 0.000 0.476 427 D N 3.419 123.897 120.400 0.129 0.000 2.316 427 D HA 0.270 4.910 4.640 -0.001 0.000 0.245 427 D C -1.821 174.514 176.300 0.058 0.000 1.171 427 D CA -2.193 51.836 54.000 0.048 0.000 0.856 427 D CB 1.330 42.137 40.800 0.011 0.000 1.090 427 D HN 0.061 nan 8.370 nan 0.000 0.476 428 P HA -0.078 nan 4.420 nan 0.000 0.225 428 P C 0.786 178.105 177.300 0.031 0.000 1.148 428 P CA 0.657 63.781 63.100 0.041 0.000 0.779 428 P CB 0.174 31.901 31.700 0.045 0.000 0.780 429 A N -0.745 122.089 122.820 0.023 0.000 1.968 429 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 429 A C 2.081 179.666 177.584 0.001 0.000 1.169 429 A CA 1.169 53.217 52.037 0.017 0.000 0.638 429 A CB -1.090 17.916 19.000 0.011 0.000 0.812 429 A HN 0.172 nan 8.150 nan 0.000 0.446 430 I N -2.130 118.435 120.570 -0.007 0.000 3.039 430 I HA 0.240 4.409 4.170 -0.001 0.000 0.270 430 I C 1.087 177.171 176.117 -0.053 0.000 1.150 430 I CA 0.863 62.143 61.300 -0.034 0.000 1.448 430 I CB 0.356 38.335 38.000 -0.035 0.000 1.197 430 I HN 0.197 nan 8.210 nan 0.000 0.450 431 A N 2.451 125.251 122.820 -0.033 0.000 3.127 431 A HA 0.494 4.813 4.320 -0.001 0.000 0.319 431 A C -2.707 174.806 177.584 -0.118 0.000 1.104 431 A CA -1.042 50.936 52.037 -0.099 0.000 0.802 431 A CB -0.271 18.669 19.000 -0.100 0.000 1.193 431 A HN -0.099 nan 8.150 nan 0.000 0.479 432 P HA 0.268 nan 4.420 nan 0.000 0.274 432 P C -0.173 177.012 177.300 -0.191 0.000 1.231 432 P CA 0.024 63.071 63.100 -0.089 0.000 0.790 432 P CB 1.378 33.048 31.700 -0.050 0.000 0.951 433 V N 4.597 124.421 119.914 -0.149 0.000 2.364 433 V HA 0.251 4.371 4.120 -0.001 0.000 0.272 433 V C 1.546 177.451 176.094 -0.314 0.000 1.036 433 V CA -0.006 62.168 62.300 -0.209 0.000 0.880 433 V CB 0.480 32.242 31.823 -0.100 0.000 0.991 433 V HN 0.528 nan 8.190 nan 0.000 0.460 434 R N 3.773 123.978 120.500 -0.493 0.000 2.508 434 R HA 0.262 4.601 4.340 -0.001 0.000 0.300 434 R C 0.260 176.241 176.300 -0.531 0.000 0.970 434 R CA -0.018 55.543 56.100 -0.897 0.000 1.102 434 R CB 0.715 30.385 30.300 -1.051 0.000 1.246 434 R HN 0.926 nan 8.270 nan 0.000 0.539 435 Q N -2.387 117.145 119.800 -0.447 0.000 2.907 435 Q HA 0.349 4.689 4.340 -0.001 0.000 0.310 435 Q C -1.443 174.127 176.000 -0.717 0.000 0.861 435 Q CA -0.796 54.584 55.803 -0.705 0.000 0.769 435 Q CB 1.219 29.568 28.738 -0.648 0.000 1.465 435 Q HN -0.076 nan 8.270 nan 0.000 0.449 436 S N -0.534 114.477 115.700 -1.148 0.000 2.921 436 S HA 0.603 5.072 4.470 -0.001 0.000 0.315 436 S C -1.030 173.444 174.600 -0.210 0.000 1.087 436 S CA -0.101 57.816 58.200 -0.471 0.000 0.877 436 S CB 1.100 64.200 63.200 -0.165 0.000 1.340 436 S HN 0.815 nan 8.310 nan 0.000 0.622 437 N N 0.364 119.060 118.700 -0.008 0.000 2.823 437 N HA 0.224 4.964 4.740 -0.001 0.000 0.324 437 N C 0.991 176.564 175.510 0.105 0.000 1.336 437 N CA -0.554 52.518 53.050 0.037 0.000 0.861 437 N CB -0.651 37.806 38.487 -0.051 0.000 1.157 437 N HN 0.467 nan 8.380 nan 0.000 0.585 438 L N 0.331 121.566 121.223 0.019 0.000 1.989 438 L HA 0.004 4.344 4.340 -0.001 0.000 0.211 438 L C 1.510 178.310 176.870 -0.117 0.000 1.071 438 L CA 1.788 56.635 54.840 0.013 0.000 0.749 438 L CB -0.537 41.532 42.059 0.016 0.000 0.890 438 L HN 0.714 nan 8.230 nan 0.000 0.431 439 C N 0.520 119.620 119.300 -0.333 0.000 2.589 439 C HA 0.362 4.822 4.460 -0.001 0.000 0.307 439 C C 0.990 175.295 174.990 -1.142 0.000 1.328 439 C CA -0.994 57.435 59.018 -0.980 0.000 1.742 439 C CB -1.304 25.945 27.740 -0.820 0.000 2.037 439 C HN 0.541 nan 8.230 nan 0.000 0.592 440 L N 2.137 123.033 121.223 -0.546 0.000 3.843 440 L HA -0.192 4.148 4.340 -0.001 0.000 0.411 440 L C 1.705 178.422 176.870 -0.255 0.000 1.205 440 L CA 1.624 56.276 54.840 -0.313 0.000 0.945 440 L CB -1.541 40.309 42.059 -0.348 0.000 1.929 440 L HN 0.695 nan 8.230 nan 0.000 0.934 441 E N -1.051 119.006 120.200 -0.239 0.000 2.514 441 E HA 0.103 4.452 4.350 -0.001 0.000 0.215 441 E C 0.797 177.339 176.600 -0.096 0.000 0.946 441 E CA -0.152 56.156 56.400 -0.154 0.000 1.038 441 E CB 0.620 30.222 29.700 -0.164 0.000 1.069 441 E HN 0.395 nan 8.360 nan 0.000 0.503 442 I N 2.186 122.698 120.570 -0.097 0.000 2.440 442 I HA 0.453 4.623 4.170 -0.001 0.000 0.294 442 I C 0.006 176.080 176.117 -0.072 0.000 0.995 442 I CA -0.782 60.478 61.300 -0.067 0.000 1.306 442 I CB 1.187 39.145 38.000 -0.069 0.000 1.407 442 I HN 0.128 nan 8.210 nan 0.000 0.501 443 A N 7.957 130.754 122.820 -0.039 0.000 2.768 443 A HA 0.699 5.018 4.320 -0.001 0.000 0.299 443 A C -0.910 176.662 177.584 -0.019 0.000 1.171 443 A CA -0.412 51.594 52.037 -0.051 0.000 0.759 443 A CB 0.448 19.435 19.000 -0.022 0.000 1.267 443 A HN 0.588 nan 8.150 nan 0.000 0.421 444 L N 1.821 122.979 121.223 -0.109 0.000 2.333 444 L HA 0.633 4.972 4.340 -0.001 0.000 0.263 444 L C -2.474 174.207 176.870 -0.315 0.000 1.014 444 L CA -2.608 52.119 54.840 -0.187 0.000 0.820 444 L CB 2.708 44.704 42.059 -0.105 0.000 1.352 444 L HN 0.325 nan 8.230 nan 0.000 0.421 445 P HA 0.241 nan 4.420 nan 0.000 0.275 445 P C -0.923 176.235 177.300 -0.236 0.000 1.227 445 P CA -0.187 62.670 63.100 -0.405 0.000 0.781 445 P CB 0.947 32.331 31.700 -0.527 0.000 0.906 446 T N -0.782 113.658 114.554 -0.191 0.000 2.864 446 T HA 0.687 5.036 4.350 -0.001 0.000 0.299 446 T C -0.904 173.742 174.700 -0.090 0.000 1.166 446 T CA -0.988 61.039 62.100 -0.121 0.000 1.007 446 T CB 1.952 70.746 68.868 -0.123 0.000 1.219 446 T HN 0.224 nan 8.240 nan 0.000 0.506 447 K N 1.338 121.709 120.400 -0.048 0.000 2.501 447 K HA 0.549 4.868 4.320 -0.001 0.000 0.252 447 K C -3.031 173.564 176.600 -0.008 0.000 0.934 447 K CA -2.276 53.994 56.287 -0.029 0.000 0.797 447 K CB 2.426 34.911 32.500 -0.025 0.000 1.270 447 K HN 0.376 nan 8.250 nan 0.000 0.431 448 P HA 0.075 nan 4.420 nan 0.000 0.268 448 P C -0.958 176.354 177.300 0.021 0.000 1.205 448 P CA -0.396 62.712 63.100 0.012 0.000 0.771 448 P CB 0.471 32.182 31.700 0.018 0.000 0.858 449 L N 3.286 124.527 121.223 0.030 0.000 2.360 449 L HA 0.359 4.698 4.340 -0.001 0.000 0.271 449 L C 1.499 178.393 176.870 0.041 0.000 1.057 449 L CA 0.322 55.184 54.840 0.037 0.000 0.803 449 L CB 0.325 42.411 42.059 0.044 0.000 1.207 449 L HN 0.243 nan 8.230 nan 0.000 0.445 450 N N 0.392 119.115 118.700 0.039 0.000 2.254 450 N HA 0.089 4.829 4.740 -0.001 0.000 0.190 450 N C -0.657 174.879 175.510 0.044 0.000 1.107 450 N CA 0.286 53.360 53.050 0.041 0.000 0.869 450 N CB 0.582 39.090 38.487 0.035 0.000 0.983 450 N HN 0.661 nan 8.380 nan 0.000 0.487 451 D N -0.881 119.546 120.400 0.044 0.000 2.663 451 D HA 0.011 4.650 4.640 -0.001 0.000 0.233 451 D C 1.064 177.391 176.300 0.046 0.000 1.240 451 D CA -0.340 53.686 54.000 0.044 0.000 0.774 451 D CB 1.701 42.522 40.800 0.036 0.000 1.443 451 D HN -0.230 nan 8.370 nan 0.000 0.441 452 V N 1.928 121.870 119.914 0.046 0.000 2.324 452 V HA -0.191 3.928 4.120 -0.001 0.000 0.250 452 V C 1.570 177.687 176.094 0.039 0.000 1.060 452 V CA 1.471 63.797 62.300 0.044 0.000 1.042 452 V CB -0.615 31.229 31.823 0.035 0.000 0.650 452 V HN 0.524 nan 8.190 nan 0.000 0.450 453 N N -0.049 118.670 118.700 0.032 0.000 2.268 453 N HA 0.070 4.809 4.740 -0.001 0.000 0.204 453 N C 0.331 175.860 175.510 0.032 0.000 1.124 453 N CA 0.059 53.126 53.050 0.029 0.000 0.838 453 N CB -0.321 38.179 38.487 0.022 0.000 0.994 453 N HN 0.566 nan 8.380 nan 0.000 0.489 454 D N 1.588 122.009 120.400 0.035 0.000 2.520 454 D HA -0.073 4.567 4.640 -0.001 0.000 0.243 454 D C 0.812 177.135 176.300 0.038 0.000 1.160 454 D CA 0.583 54.603 54.000 0.034 0.000 0.877 454 D CB 0.752 41.573 40.800 0.036 0.000 1.150 454 D HN 0.152 nan 8.370 nan 0.000 0.494 455 E N 2.764 122.986 120.200 0.036 0.000 2.479 455 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 455 E C 0.449 177.080 176.600 0.051 0.000 1.049 455 E CA 0.121 56.547 56.400 0.043 0.000 0.870 455 E CB 0.096 29.819 29.700 0.038 0.000 0.944 455 E HN 0.490 nan 8.360 nan 0.000 0.492 456 N N 0.285 119.009 118.700 0.040 0.000 2.280 456 N HA 0.037 4.776 4.740 -0.001 0.000 0.192 456 N C 0.416 175.944 175.510 0.030 0.000 1.109 456 N CA 0.038 53.107 53.050 0.032 0.000 0.855 456 N CB 0.930 39.427 38.487 0.017 0.000 0.974 456 N HN 0.016 nan 8.380 nan 0.000 0.482 457 G N -0.163 108.661 108.800 0.040 0.000 2.522 457 G HA2 0.410 4.370 3.960 -0.001 0.000 0.304 457 G HA3 0.410 4.370 3.960 -0.001 0.000 0.304 457 G C -0.910 174.023 174.900 0.056 0.000 1.210 457 G CA -0.286 44.836 45.100 0.037 0.000 0.960 457 G HN 0.111 nan 8.290 nan 0.000 0.497 458 E N -0.459 119.767 120.200 0.043 0.000 2.274 458 E HA 0.414 4.763 4.350 -0.001 0.000 0.269 458 E C -1.217 175.397 176.600 0.023 0.000 0.891 458 E CA -0.518 55.916 56.400 0.058 0.000 0.784 458 E CB 1.723 31.467 29.700 0.073 0.000 1.225 458 E HN 0.316 nan 8.360 nan 0.000 0.412 459 I N 3.250 123.838 120.570 0.029 0.000 2.362 459 I HA 0.443 4.612 4.170 -0.001 0.000 0.289 459 I C 0.081 176.187 176.117 -0.017 0.000 0.994 459 I CA -0.621 60.682 61.300 0.004 0.000 1.158 459 I CB 1.712 39.736 38.000 0.041 0.000 1.315 459 I HN 0.550 nan 8.210 nan 0.000 0.451 460 A N 7.901 130.688 122.820 -0.054 0.000 2.354 460 A HA 0.802 5.122 4.320 -0.001 0.000 0.269 460 A C -0.621 176.924 177.584 -0.066 0.000 1.109 460 A CA -0.122 51.880 52.037 -0.058 0.000 0.800 460 A CB 0.438 19.387 19.000 -0.085 0.000 1.045 460 A HN 0.697 nan 8.150 nan 0.000 0.489 461 L N 0.927 122.130 121.223 -0.032 0.000 2.393 461 L HA 0.622 4.962 4.340 -0.001 0.000 0.260 461 L C -0.784 176.085 176.870 -0.001 0.000 1.002 461 L CA -0.619 54.205 54.840 -0.027 0.000 0.818 461 L CB 2.288 44.371 42.059 0.040 0.000 1.369 461 L HN 0.756 nan 8.230 nan 0.000 0.412 462 C N 0.753 120.048 119.300 -0.007 0.000 2.608 462 C HA 0.651 5.111 4.460 -0.001 0.000 0.325 462 C C -0.028 174.968 174.990 0.010 0.000 1.147 462 C CA -0.210 58.812 59.018 0.006 0.000 1.359 462 C CB 1.637 29.375 27.740 -0.004 0.000 1.912 462 C HN 0.860 nan 8.230 nan 0.000 0.466 463 T N 6.858 121.422 114.554 0.017 0.000 2.817 463 T HA 0.551 4.901 4.350 -0.001 0.000 0.293 463 T C -0.172 174.524 174.700 -0.007 0.000 0.964 463 T CA -0.092 62.014 62.100 0.011 0.000 1.085 463 T CB 0.471 69.344 68.868 0.009 0.000 0.921 463 T HN 0.573 nan 8.240 nan 0.000 0.502 464 L N 1.619 122.836 121.223 -0.009 0.000 2.286 464 L HA 0.908 5.248 4.340 -0.001 0.000 0.265 464 L C 0.288 177.141 176.870 -0.029 0.000 1.012 464 L CA -0.956 53.871 54.840 -0.023 0.000 0.818 464 L CB 1.913 43.962 42.059 -0.016 0.000 1.337 464 L HN 0.608 nan 8.230 nan 0.000 0.438 465 S N -1.013 114.654 115.700 -0.056 0.000 2.663 465 S HA 0.799 5.269 4.470 -0.001 0.000 0.264 465 S C -1.822 172.696 174.600 -0.138 0.000 1.112 465 S CA -0.205 57.954 58.200 -0.069 0.000 0.823 465 S CB 1.796 64.950 63.200 -0.076 0.000 1.111 465 S HN 0.942 nan 8.310 nan 0.000 0.476 466 A N 0.635 123.363 122.820 -0.153 0.000 2.594 466 A HA 0.811 5.131 4.320 -0.001 0.000 0.295 466 A C -2.085 175.398 177.584 -0.168 0.000 1.071 466 A CA -0.568 51.352 52.037 -0.194 0.000 0.685 466 A CB 0.666 19.647 19.000 -0.032 0.000 1.285 466 A HN 0.457 nan 8.150 nan 0.000 0.405 467 F N 1.487 121.447 119.950 0.017 0.000 2.394 467 F HA 0.417 4.944 4.527 -0.001 0.000 0.340 467 F C 0.831 176.638 175.800 0.012 0.000 1.105 467 F CA -0.908 57.088 58.000 -0.007 0.000 1.124 467 F CB 1.218 40.187 39.000 -0.051 0.000 1.145 467 F HN 0.578 nan 8.300 nan 0.000 0.505 468 N N 3.856 122.691 118.700 0.226 0.000 2.439 468 N HA 0.130 4.870 4.740 -0.001 0.000 0.243 468 N C 0.615 176.209 175.510 0.140 0.000 1.088 468 N CA 0.098 53.252 53.050 0.175 0.000 0.940 468 N CB 0.398 38.989 38.487 0.174 0.000 1.180 468 N HN 0.704 nan 8.380 nan 0.000 0.505 469 L N 1.997 123.286 121.223 0.109 0.000 2.456 469 L HA 0.019 4.359 4.340 -0.001 0.000 0.224 469 L C 1.877 178.848 176.870 0.168 0.000 1.148 469 L CA 0.881 55.725 54.840 0.007 0.000 0.825 469 L CB -0.093 41.819 42.059 -0.245 0.000 0.937 469 L HN 0.585 nan 8.230 nan 0.000 0.450 470 G N -1.021 107.947 108.800 0.280 0.000 2.939 470 G HA2 0.137 4.097 3.960 -0.001 0.000 0.210 470 G HA3 0.137 4.097 3.960 -0.001 0.000 0.210 470 G C 1.293 176.370 174.900 0.294 0.000 1.160 470 G CA 0.573 45.916 45.100 0.405 0.000 0.770 470 G HN 0.389 nan 8.290 nan 0.000 0.543 471 A N 0.306 123.240 122.820 0.190 0.000 2.390 471 A HA 0.565 4.884 4.320 -0.001 0.000 0.232 471 A C 0.848 178.467 177.584 0.058 0.000 1.233 471 A CA -0.320 51.793 52.037 0.125 0.000 0.907 471 A CB -0.237 18.834 19.000 0.120 0.000 0.967 471 A HN 0.494 nan 8.150 nan 0.000 0.512 472 I N -4.323 116.279 120.570 0.053 0.000 2.498 472 I HA 0.438 4.608 4.170 -0.001 0.000 0.301 472 I C 0.371 176.507 176.117 0.031 0.000 0.984 472 I CA -0.886 60.416 61.300 0.004 0.000 1.204 472 I CB 1.184 39.159 38.000 -0.042 0.000 1.362 472 I HN -0.079 nan 8.210 nan 0.000 0.471 473 N N 3.055 121.756 118.700 0.002 0.000 2.368 473 N HA 0.005 4.745 4.740 -0.001 0.000 0.178 473 N C -0.233 175.294 175.510 0.029 0.000 1.021 473 N CA 0.743 53.799 53.050 0.009 0.000 0.875 473 N CB 0.063 38.541 38.487 -0.016 0.000 1.020 473 N HN 0.838 nan 8.380 nan 0.000 0.433 474 N N -1.009 117.697 118.700 0.010 0.000 2.405 474 N HA 0.271 5.011 4.740 -0.001 0.000 0.285 474 N C 0.243 175.756 175.510 0.006 0.000 1.262 474 N CA -0.638 52.428 53.050 0.027 0.000 0.773 474 N CB 1.231 39.729 38.487 0.018 0.000 1.490 474 N HN -0.227 nan 8.380 nan 0.000 0.486 475 L N -0.553 120.691 121.223 0.036 0.000 2.353 475 L HA -0.046 4.293 4.340 -0.001 0.000 0.220 475 L C 0.514 177.395 176.870 0.018 0.000 1.133 475 L CA 0.891 55.748 54.840 0.029 0.000 0.798 475 L CB -0.362 41.752 42.059 0.093 0.000 0.922 475 L HN 0.671 nan 8.230 nan 0.000 0.445 476 D N -0.037 120.370 120.400 0.011 0.000 2.349 476 D HA -0.084 4.555 4.640 -0.001 0.000 0.224 476 D C 1.663 177.802 176.300 -0.269 0.000 1.029 476 D CA 0.480 54.431 54.000 -0.082 0.000 0.879 476 D CB 0.215 41.038 40.800 0.037 0.000 0.906 476 D HN 0.451 nan 8.370 nan 0.000 0.528 477 E N 0.170 120.234 120.200 -0.226 0.000 2.358 477 E HA -0.009 4.340 4.350 -0.001 0.000 0.195 477 E C 1.961 178.335 176.600 -0.375 0.000 1.010 477 E CA 0.075 56.325 56.400 -0.251 0.000 0.856 477 E CB 0.176 29.770 29.700 -0.176 0.000 0.795 477 E HN 0.294 nan 8.360 nan 0.000 0.504 478 L N 0.923 121.854 121.223 -0.486 0.000 2.275 478 L HA -0.156 4.184 4.340 -0.001 0.000 0.215 478 L C 2.493 178.937 176.870 -0.710 0.000 1.119 478 L CA 0.840 55.303 54.840 -0.629 0.000 0.790 478 L CB -0.223 41.538 42.059 -0.497 0.000 0.919 478 L HN 0.168 nan 8.230 nan 0.000 0.443 479 E N 0.634 120.225 120.200 -1.015 0.000 2.038 479 E HA -0.271 4.079 4.350 -0.001 0.000 0.195 479 E C 1.929 178.322 176.600 -0.344 0.000 1.000 479 E CA 1.700 57.614 56.400 -0.812 0.000 0.803 479 E CB 0.156 29.387 29.700 -0.782 0.000 0.750 479 E HN 0.479 nan 8.360 nan 0.000 0.448 480 E N 0.610 120.640 120.200 -0.283 0.000 2.047 480 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 480 E C 2.210 178.755 176.600 -0.092 0.000 0.987 480 E CA 1.146 57.455 56.400 -0.152 0.000 0.799 480 E CB -0.146 29.466 29.700 -0.147 0.000 0.752 480 E HN 0.285 nan 8.360 nan 0.000 0.449 481 L N 0.417 121.545 121.223 -0.159 0.000 2.042 481 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 481 L C 2.486 179.432 176.870 0.126 0.000 1.076 481 L CA 1.184 55.985 54.840 -0.064 0.000 0.749 481 L CB -0.627 41.274 42.059 -0.263 0.000 0.893 481 L HN 0.182 nan 8.230 nan 0.000 0.432 482 A N 0.229 123.053 122.820 0.007 0.000 1.930 482 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 482 A C 2.214 179.892 177.584 0.157 0.000 1.175 482 A CA 1.353 53.517 52.037 0.212 0.000 0.627 482 A CB -0.573 18.494 19.000 0.111 0.000 0.815 482 A HN 0.327 nan 8.150 nan 0.000 0.443 483 I N -0.525 120.098 120.570 0.089 0.000 2.127 483 I HA -0.245 3.925 4.170 -0.001 0.000 0.241 483 I C 2.210 178.440 176.117 0.189 0.000 1.075 483 I CA 0.912 62.282 61.300 0.117 0.000 1.334 483 I CB -0.288 37.777 38.000 0.108 0.000 1.040 483 I HN 0.208 nan 8.210 nan 0.000 0.405 484 L N 0.588 121.954 121.223 0.239 0.000 2.017 484 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 484 L C 2.735 179.831 176.870 0.376 0.000 1.073 484 L CA 2.175 57.244 54.840 0.381 0.000 0.745 484 L CB -1.843 40.475 42.059 0.432 0.000 0.894 484 L HN 0.234 nan 8.230 nan 0.000 0.432 485 A N -0.793 122.221 122.820 0.324 0.000 1.877 485 A HA -0.155 4.165 4.320 -0.001 0.000 0.216 485 A C 2.443 180.087 177.584 0.100 0.000 1.186 485 A CA 1.992 54.171 52.037 0.237 0.000 0.620 485 A CB -0.880 18.222 19.000 0.171 0.000 0.822 485 A HN 0.220 nan 8.150 nan 0.000 0.443 486 V N -0.203 119.763 119.914 0.087 0.000 2.358 486 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 486 V C 2.641 178.712 176.094 -0.037 0.000 1.047 486 V CA 2.229 64.539 62.300 0.016 0.000 1.035 486 V CB -0.815 31.021 31.823 0.022 0.000 0.658 486 V HN 0.510 nan 8.190 nan 0.000 0.452 487 R N -0.010 120.476 120.500 -0.023 0.000 2.075 487 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 487 R C 2.439 178.503 176.300 -0.393 0.000 1.126 487 R CA 1.447 57.478 56.100 -0.115 0.000 0.963 487 R CB -0.556 29.740 30.300 -0.007 0.000 0.858 487 R HN 0.536 nan 8.270 nan 0.000 0.435 488 A N 1.020 123.565 122.820 -0.459 0.000 1.898 488 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 488 A C 2.128 179.430 177.584 -0.471 0.000 1.181 488 A CA 1.103 52.663 52.037 -0.794 0.000 0.620 488 A CB -0.450 18.057 19.000 -0.821 0.000 0.819 488 A HN 0.169 nan 8.150 nan 0.000 0.442 489 L N -0.924 120.152 121.223 -0.245 0.000 2.109 489 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 489 L C 2.300 179.084 176.870 -0.142 0.000 1.086 489 L CA 1.585 56.328 54.840 -0.161 0.000 0.760 489 L CB -0.565 41.443 42.059 -0.084 0.000 0.910 489 L HN 0.406 nan 8.230 nan 0.000 0.437 490 D N 0.208 120.524 120.400 -0.141 0.000 2.144 490 D HA -0.161 4.478 4.640 -0.001 0.000 0.199 490 D C 2.173 178.402 176.300 -0.120 0.000 0.984 490 D CA 1.216 55.153 54.000 -0.105 0.000 0.834 490 D CB 0.218 40.964 40.800 -0.090 0.000 0.955 490 D HN 0.250 nan 8.370 nan 0.000 0.465 491 A N 0.071 122.765 122.820 -0.209 0.000 1.902 491 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 491 A C 2.106 179.606 177.584 -0.140 0.000 1.181 491 A CA 1.204 53.117 52.037 -0.207 0.000 0.623 491 A CB -0.930 17.832 19.000 -0.397 0.000 0.818 491 A HN 0.377 nan 8.150 nan 0.000 0.443 492 L N -0.011 121.103 121.223 -0.182 0.000 2.081 492 L HA -0.158 4.181 4.340 -0.001 0.000 0.212 492 L C 2.231 179.136 176.870 0.057 0.000 1.080 492 L CA 1.643 56.432 54.840 -0.085 0.000 0.754 492 L CB -0.503 41.465 42.059 -0.152 0.000 0.893 492 L HN 0.428 nan 8.230 nan 0.000 0.433 493 L N -0.782 120.467 121.223 0.043 0.000 2.127 493 L HA -0.223 4.117 4.340 -0.001 0.000 0.211 493 L C 1.875 178.855 176.870 0.183 0.000 1.089 493 L CA 1.341 56.258 54.840 0.128 0.000 0.757 493 L CB -0.734 41.370 42.059 0.074 0.000 0.899 493 L HN 0.334 nan 8.230 nan 0.000 0.434 494 D N -1.728 118.741 120.400 0.116 0.000 2.333 494 D HA -0.132 4.507 4.640 -0.001 0.000 0.208 494 D C 1.778 178.176 176.300 0.163 0.000 0.984 494 D CA 0.671 54.744 54.000 0.122 0.000 0.873 494 D CB 0.164 40.996 40.800 0.054 0.000 0.935 494 D HN 0.308 nan 8.370 nan 0.000 0.521 495 Y N 1.912 122.223 120.300 0.019 0.000 2.365 495 Y HA -0.015 4.535 4.550 -0.001 0.000 0.293 495 Y C 1.129 177.081 175.900 0.087 0.000 1.119 495 Y CA 0.433 58.548 58.100 0.025 0.000 1.203 495 Y CB 0.195 38.643 38.460 -0.020 0.000 1.026 495 Y HN -0.068 nan 8.280 nan 0.000 0.549 496 Q N 0.469 120.350 119.800 0.134 0.000 2.256 496 Q HA 0.232 4.572 4.340 -0.001 0.000 0.232 496 Q C -0.974 174.857 176.000 -0.282 0.000 0.965 496 Q CA -0.819 54.987 55.803 0.005 0.000 0.908 496 Q CB 1.063 29.867 28.738 0.110 0.000 1.209 496 Q HN 0.077 nan 8.270 nan 0.000 0.489 497 D N 0.302 120.488 120.400 -0.358 0.000 2.253 497 D HA 0.270 4.909 4.640 -0.001 0.000 0.249 497 D C -1.251 174.706 176.300 -0.572 0.000 1.049 497 D CA -0.103 53.692 54.000 -0.341 0.000 0.929 497 D CB 0.735 41.405 40.800 -0.217 0.000 1.176 497 D HN 0.443 nan 8.370 nan 0.000 0.437 498 Y N 0.867 121.160 120.300 -0.012 0.000 2.363 498 Y HA 0.235 4.784 4.550 -0.001 0.000 0.325 498 Y C -1.285 174.593 175.900 -0.036 0.000 0.984 498 Y CA -1.453 56.656 58.100 0.014 0.000 1.248 498 Y CB 1.683 40.161 38.460 0.031 0.000 1.116 498 Y HN 0.200 nan 8.280 nan 0.000 0.470 499 P HA 0.009 nan 4.420 nan 0.000 0.221 499 P C -0.072 177.192 177.300 -0.060 0.000 1.150 499 P CA 1.242 64.276 63.100 -0.110 0.000 0.800 499 P CB 1.111 32.626 31.700 -0.309 0.000 0.787 500 I N 0.087 120.666 120.570 0.015 0.000 2.436 500 I HA 0.230 4.400 4.170 -0.001 0.000 0.289 500 I C -1.668 174.507 176.117 0.097 0.000 1.010 500 I CA -2.752 58.581 61.300 0.054 0.000 1.098 500 I CB 2.464 40.515 38.000 0.085 0.000 1.266 500 I HN -0.335 nan 8.210 nan 0.000 0.434 501 P HA -0.263 nan 4.420 nan 0.000 0.216 501 P C 1.425 178.747 177.300 0.037 0.000 1.157 501 P CA 1.588 64.713 63.100 0.041 0.000 0.880 501 P CB 0.210 31.930 31.700 0.034 0.000 0.791 502 A N -0.442 122.414 122.820 0.059 0.000 1.972 502 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 502 A C 2.317 179.935 177.584 0.056 0.000 1.169 502 A CA 2.090 54.164 52.037 0.062 0.000 0.635 502 A CB -1.465 17.576 19.000 0.069 0.000 0.810 502 A HN 0.232 nan 8.150 nan 0.000 0.446 503 A N -0.459 122.421 122.820 0.099 0.000 1.897 503 A HA -0.095 4.225 4.320 -0.001 0.000 0.215 503 A C 2.133 179.691 177.584 -0.044 0.000 1.181 503 A CA 1.688 53.801 52.037 0.126 0.000 0.620 503 A CB -0.404 18.803 19.000 0.346 0.000 0.821 503 A HN 0.472 nan 8.150 nan 0.000 0.443 504 K N -0.417 119.876 120.400 -0.178 0.000 2.063 504 K HA -0.161 4.159 4.320 -0.001 0.000 0.208 504 K C 2.330 178.678 176.600 -0.420 0.000 1.048 504 K CA 1.203 57.114 56.287 -0.626 0.000 0.928 504 K CB -0.196 32.068 32.500 -0.393 0.000 0.713 504 K HN 0.360 nan 8.250 nan 0.000 0.442 505 R N -0.579 119.801 120.500 -0.201 0.000 2.080 505 R HA -0.136 4.204 4.340 -0.001 0.000 0.236 505 R C 2.404 178.527 176.300 -0.294 0.000 1.137 505 R CA 1.717 57.724 56.100 -0.155 0.000 0.943 505 R CB -0.722 29.620 30.300 0.071 0.000 0.846 505 R HN 0.362 nan 8.270 nan 0.000 0.431 506 G N 0.332 109.045 108.800 -0.146 0.000 2.402 506 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 506 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 506 G C 1.554 176.325 174.900 -0.215 0.000 1.162 506 G CA 0.812 45.837 45.100 -0.126 0.000 0.777 506 G HN 0.432 nan 8.290 nan 0.000 0.539 507 A N 0.593 123.280 122.820 -0.222 0.000 1.873 507 A HA 0.068 4.388 4.320 -0.001 0.000 0.215 507 A C 2.409 179.838 177.584 -0.257 0.000 1.186 507 A CA 1.872 53.799 52.037 -0.183 0.000 0.616 507 A CB -0.279 18.637 19.000 -0.139 0.000 0.823 507 A HN 0.296 nan 8.150 nan 0.000 0.442 508 M N -0.577 118.795 119.600 -0.379 0.000 2.288 508 M HA -0.004 4.475 4.480 -0.001 0.000 0.266 508 M C 2.263 178.267 176.300 -0.494 0.000 1.072 508 M CA 1.273 56.358 55.300 -0.358 0.000 1.132 508 M CB -1.674 30.727 32.600 -0.332 0.000 1.386 508 M HN 0.462 nan 8.290 nan 0.000 0.432 509 G N 1.107 109.404 108.800 -0.838 0.000 2.414 509 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.215 509 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.215 509 G C 1.770 176.267 174.900 -0.672 0.000 1.188 509 G CA 0.340 44.544 45.100 -1.494 0.000 0.783 509 G HN 0.474 nan 8.290 nan 0.000 0.537 510 R N -0.801 119.507 120.500 -0.321 0.000 2.307 510 R HA 0.272 4.612 4.340 -0.001 0.000 0.200 510 R C 0.379 176.695 176.300 0.026 0.000 0.893 510 R CA -0.354 55.758 56.100 0.021 0.000 1.042 510 R CB 0.335 30.754 30.300 0.199 0.000 1.059 510 R HN 0.113 nan 8.270 nan 0.000 0.530 511 R N 2.245 122.714 120.500 -0.051 0.000 3.158 511 R HA -0.121 4.219 4.340 -0.001 0.000 0.244 511 R C -0.641 175.672 176.300 0.023 0.000 0.900 511 R CA 1.052 57.138 56.100 -0.024 0.000 0.618 511 R CB -2.089 28.186 30.300 -0.040 0.000 1.061 511 R HN 0.395 nan 8.270 nan 0.000 0.471 512 T N -1.176 113.408 114.554 0.050 0.000 2.832 512 T HA 0.629 4.979 4.350 -0.001 0.000 0.296 512 T C 0.675 175.403 174.700 0.046 0.000 0.968 512 T CA -0.789 61.358 62.100 0.079 0.000 1.107 512 T CB 1.705 70.645 68.868 0.121 0.000 0.916 512 T HN 0.233 nan 8.240 nan 0.000 0.517 513 L N 1.749 122.994 121.223 0.037 0.000 2.301 513 L HA 0.829 5.169 4.340 -0.001 0.000 0.264 513 L C 0.490 177.367 176.870 0.011 0.000 1.016 513 L CA -1.337 53.510 54.840 0.012 0.000 0.821 513 L CB 2.389 44.444 42.059 -0.007 0.000 1.346 513 L HN 0.956 nan 8.230 nan 0.000 0.429 514 G N 1.910 110.704 108.800 -0.011 0.000 3.113 514 G HA2 0.579 4.538 3.960 -0.001 0.000 0.301 514 G HA3 0.579 4.538 3.960 -0.001 0.000 0.301 514 G C -1.042 173.827 174.900 -0.051 0.000 1.606 514 G CA -0.139 44.952 45.100 -0.017 0.000 1.060 514 G HN 0.329 nan 8.290 nan 0.000 0.540 515 I N 2.212 122.737 120.570 -0.076 0.000 2.336 515 I HA 0.645 4.815 4.170 -0.001 0.000 0.292 515 I C 0.927 176.961 176.117 -0.139 0.000 0.991 515 I CA -0.342 60.852 61.300 -0.178 0.000 1.227 515 I CB 1.999 39.822 38.000 -0.295 0.000 1.366 515 I HN 0.448 nan 8.210 nan 0.000 0.466 516 G N 4.958 113.673 108.800 -0.142 0.000 3.251 516 G HA2 0.768 4.727 3.960 -0.001 0.000 0.248 516 G HA3 0.768 4.727 3.960 -0.001 0.000 0.248 516 G C -0.882 174.008 174.900 -0.017 0.000 1.320 516 G CA -0.466 44.615 45.100 -0.031 0.000 0.982 516 G HN 0.509 nan 8.290 nan 0.000 0.575 517 V N -1.625 118.332 119.914 0.071 0.000 2.960 517 V HA 0.884 5.004 4.120 -0.001 0.000 0.315 517 V C -0.235 175.936 176.094 0.130 0.000 1.087 517 V CA -1.018 61.344 62.300 0.104 0.000 0.982 517 V CB 1.406 33.292 31.823 0.105 0.000 1.039 517 V HN 1.088 nan 8.190 nan 0.000 0.437 518 I N -0.945 119.719 120.570 0.157 0.000 3.042 518 I HA 0.735 4.905 4.170 -0.001 0.000 0.310 518 I C 0.290 176.552 176.117 0.241 0.000 1.117 518 I CA -0.821 60.592 61.300 0.188 0.000 1.003 518 I CB 2.164 40.258 38.000 0.156 0.000 1.228 518 I HN 0.716 nan 8.210 nan 0.000 0.443 519 N N 0.640 119.509 118.700 0.281 0.000 2.782 519 N HA -0.256 4.484 4.740 -0.001 0.000 0.251 519 N C 0.168 175.932 175.510 0.422 0.000 1.101 519 N CA 1.072 54.332 53.050 0.350 0.000 0.764 519 N CB -1.163 37.531 38.487 0.344 0.000 1.122 519 N HN 0.855 nan 8.380 nan 0.000 0.561 520 F N 0.760 120.865 119.950 0.259 0.000 2.095 520 F HA -0.033 4.494 4.527 -0.001 0.000 0.298 520 F C 2.170 178.168 175.800 0.329 0.000 1.104 520 F CA 2.131 60.286 58.000 0.258 0.000 1.232 520 F CB -0.657 38.497 39.000 0.256 0.000 0.987 520 F HN 0.214 nan 8.300 nan 0.000 0.475 521 A N -0.456 122.592 122.820 0.379 0.000 1.883 521 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 521 A C 2.163 179.903 177.584 0.259 0.000 1.186 521 A CA 1.845 54.092 52.037 0.350 0.000 0.624 521 A CB -1.770 17.561 19.000 0.551 0.000 0.822 521 A HN 0.592 nan 8.150 nan 0.000 0.444 522 Y N -0.976 119.472 120.300 0.246 0.000 2.128 522 Y HA -0.297 4.253 4.550 -0.001 0.000 0.284 522 Y C 2.197 178.126 175.900 0.047 0.000 1.154 522 Y CA 1.792 59.978 58.100 0.144 0.000 1.149 522 Y CB -1.068 37.538 38.460 0.244 0.000 0.976 522 Y HN 0.446 nan 8.280 nan 0.000 0.505 523 Y N 0.322 120.514 120.300 -0.179 0.000 2.081 523 Y HA -0.319 4.231 4.550 -0.001 0.000 0.280 523 Y C 2.308 178.073 175.900 -0.225 0.000 1.163 523 Y CA 2.329 60.288 58.100 -0.235 0.000 1.135 523 Y CB -0.708 37.685 38.460 -0.112 0.000 0.970 523 Y HN 0.189 nan 8.280 nan 0.000 0.498 524 L N -0.611 120.427 121.223 -0.308 0.000 2.083 524 L HA -0.238 4.102 4.340 -0.001 0.000 0.209 524 L C 2.749 179.434 176.870 -0.308 0.000 1.083 524 L CA 1.179 55.776 54.840 -0.405 0.000 0.752 524 L CB -1.068 40.674 42.059 -0.528 0.000 0.899 524 L HN 0.389 nan 8.230 nan 0.000 0.433 525 A N 1.094 123.725 122.820 -0.315 0.000 1.898 525 A HA -0.210 4.109 4.320 -0.001 0.000 0.216 525 A C 2.246 179.610 177.584 -0.365 0.000 1.181 525 A CA 1.793 53.609 52.037 -0.369 0.000 0.620 525 A CB -0.409 18.187 19.000 -0.674 0.000 0.819 525 A HN 0.522 nan 8.150 nan 0.000 0.442 526 K N -1.244 118.883 120.400 -0.456 0.000 2.486 526 K HA -0.073 4.247 4.320 -0.001 0.000 0.194 526 K C 0.607 176.871 176.600 -0.560 0.000 1.033 526 K CA 1.414 57.405 56.287 -0.493 0.000 1.004 526 K CB -0.324 31.807 32.500 -0.615 0.000 0.798 526 K HN 0.585 nan 8.250 nan 0.000 0.495 527 H N 0.044 118.872 119.070 -0.402 0.000 2.594 527 H HA 0.219 4.774 4.556 -0.001 0.000 0.279 527 H C 0.545 175.720 175.328 -0.256 0.000 1.042 527 H CA 0.459 56.296 56.048 -0.351 0.000 1.177 527 H CB 1.164 30.649 29.762 -0.461 0.000 1.524 527 H HN 0.499 nan 8.280 nan 0.000 0.537 528 G N 1.422 110.122 108.800 -0.166 0.000 2.221 528 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.265 528 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.265 528 G C -0.120 174.719 174.900 -0.102 0.000 1.041 528 G CA 0.119 45.142 45.100 -0.129 0.000 0.807 528 G HN 0.203 nan 8.290 nan 0.000 0.502 529 K N -0.575 119.750 120.400 -0.125 0.000 2.306 529 K HA 0.743 5.062 4.320 -0.001 0.000 0.236 529 K C 0.691 177.231 176.600 -0.100 0.000 1.013 529 K CA -0.747 55.474 56.287 -0.110 0.000 0.857 529 K CB 1.645 34.060 32.500 -0.141 0.000 1.214 529 K HN 0.396 nan 8.250 nan 0.000 0.449 530 R N -0.331 120.135 120.500 -0.056 0.000 3.018 530 R HA 0.382 4.722 4.340 -0.001 0.000 0.243 530 R C 0.763 177.074 176.300 0.019 0.000 1.315 530 R CA -0.782 55.332 56.100 0.023 0.000 1.039 530 R CB 0.183 30.535 30.300 0.088 0.000 1.315 530 R HN 0.467 nan 8.270 nan 0.000 0.492 531 Y N 0.358 120.702 120.300 0.072 0.000 2.262 531 Y HA -0.099 4.451 4.550 -0.000 0.000 0.295 531 Y C 2.621 178.584 175.900 0.105 0.000 1.121 531 Y CA 1.756 59.928 58.100 0.121 0.000 1.144 531 Y CB 0.089 38.654 38.460 0.175 0.000 1.043 531 Y HN 0.618 nan 8.280 nan 0.000 0.528 532 S N -0.433 115.424 115.700 0.262 0.000 2.489 532 S HA -0.103 4.366 4.470 -0.001 0.000 0.228 532 S C 0.922 175.591 174.600 0.115 0.000 0.995 532 S CA 1.105 59.409 58.200 0.173 0.000 0.934 532 S CB -0.436 62.844 63.200 0.134 0.000 0.771 532 S HN 0.572 nan 8.310 nan 0.000 0.522 533 D N -0.375 120.079 120.400 0.090 0.000 2.395 533 D HA 0.339 4.979 4.640 -0.001 0.000 0.213 533 D C 1.320 177.643 176.300 0.039 0.000 1.110 533 D CA 0.340 54.376 54.000 0.059 0.000 0.835 533 D CB -0.380 40.449 40.800 0.048 0.000 0.965 533 D HN 0.448 nan 8.370 nan 0.000 0.505 534 G N 0.635 109.456 108.800 0.035 0.000 2.179 534 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.260 534 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.260 534 G C 1.244 176.142 174.900 -0.003 0.000 0.977 534 G CA 0.805 45.910 45.100 0.007 0.000 0.641 534 G HN 0.689 nan 8.290 nan 0.000 0.533 535 S N -0.563 115.137 115.700 -0.000 0.000 2.474 535 S HA 0.418 4.888 4.470 -0.001 0.000 0.235 535 S C 2.124 176.706 174.600 -0.030 0.000 0.997 535 S CA 1.298 59.488 58.200 -0.016 0.000 0.949 535 S CB 0.060 63.250 63.200 -0.017 0.000 0.766 535 S HN 1.717 nan 8.310 nan 0.000 0.517 536 A N 1.048 123.849 122.820 -0.031 0.000 2.348 536 A HA 0.340 4.659 4.320 -0.001 0.000 0.224 536 A C 1.632 179.225 177.584 0.016 0.000 1.227 536 A CA 0.019 52.034 52.037 -0.037 0.000 0.885 536 A CB -0.335 18.611 19.000 -0.090 0.000 0.933 536 A HN 0.436 nan 8.150 nan 0.000 0.506 537 N N 1.909 120.613 118.700 0.008 0.000 2.027 537 N HA -0.210 4.529 4.740 -0.001 0.000 0.200 537 N C 1.320 176.863 175.510 0.056 0.000 1.042 537 N CA 2.067 55.127 53.050 0.017 0.000 0.871 537 N CB -0.399 38.072 38.487 -0.027 0.000 1.063 537 N HN 0.446 nan 8.380 nan 0.000 0.438 538 N N 0.195 118.910 118.700 0.024 0.000 2.166 538 N HA -0.088 4.652 4.740 -0.001 0.000 0.186 538 N C 1.701 177.252 175.510 0.067 0.000 1.019 538 N CA 0.393 53.461 53.050 0.029 0.000 0.856 538 N CB -0.505 37.974 38.487 -0.015 0.000 0.993 538 N HN 0.202 nan 8.380 nan 0.000 0.426 539 L N 1.157 122.403 121.223 0.038 0.000 2.093 539 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 539 L C 1.830 178.788 176.870 0.147 0.000 1.085 539 L CA 1.699 56.554 54.840 0.026 0.000 0.755 539 L CB -1.191 40.821 42.059 -0.077 0.000 0.904 539 L HN 0.065 nan 8.230 nan 0.000 0.435 540 T N -1.104 113.586 114.554 0.226 0.000 2.746 540 T HA -0.236 4.114 4.350 -0.001 0.000 0.267 540 T C 1.839 176.748 174.700 0.349 0.000 1.039 540 T CA 1.608 63.938 62.100 0.384 0.000 1.142 540 T CB -0.561 68.511 68.868 0.340 0.000 0.866 540 T HN 0.526 nan 8.240 nan 0.000 0.444 541 H N 1.720 120.885 119.070 0.159 0.000 2.293 541 H HA -0.015 4.540 4.556 -0.001 0.000 0.300 541 H C 2.444 177.800 175.328 0.046 0.000 1.082 541 H CA 1.868 58.016 56.048 0.168 0.000 1.308 541 H CB -0.210 29.614 29.762 0.105 0.000 1.375 541 H HN 0.313 nan 8.280 nan 0.000 0.495 542 K N -0.156 120.345 120.400 0.168 0.000 2.063 542 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 542 K C 1.998 178.543 176.600 -0.092 0.000 1.048 542 K CA 1.884 58.144 56.287 -0.044 0.000 0.928 542 K CB 0.017 32.454 32.500 -0.106 0.000 0.713 542 K HN 0.252 nan 8.250 nan 0.000 0.442 543 T N 0.272 114.808 114.554 -0.029 0.000 2.812 543 T HA -0.049 4.300 4.350 -0.001 0.000 0.264 543 T C 1.444 175.931 174.700 -0.354 0.000 1.042 543 T CA 1.185 63.200 62.100 -0.142 0.000 1.140 543 T CB -0.228 68.586 68.868 -0.089 0.000 0.870 543 T HN 0.172 nan 8.240 nan 0.000 0.445 544 F N 1.281 121.094 119.950 -0.228 0.000 2.558 544 F HA 0.154 4.680 4.527 -0.001 0.000 0.298 544 F C 2.442 177.784 175.800 -0.764 0.000 1.119 544 F CA 0.346 58.153 58.000 -0.322 0.000 1.451 544 F CB -0.102 38.814 39.000 -0.140 0.000 1.091 544 F HN 0.161 nan 8.300 nan 0.000 0.563 545 E N 0.604 120.230 120.200 -0.956 0.000 2.072 545 E HA -0.187 4.162 4.350 -0.001 0.000 0.191 545 E C 2.397 178.841 176.600 -0.260 0.000 0.985 545 E CA 1.010 56.835 56.400 -0.958 0.000 0.801 545 E CB -0.077 29.284 29.700 -0.565 0.000 0.750 545 E HN 0.317 nan 8.360 nan 0.000 0.452 546 A N 1.372 124.082 122.820 -0.185 0.000 1.883 546 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 546 A C 2.199 179.706 177.584 -0.129 0.000 1.186 546 A CA 1.428 53.355 52.037 -0.183 0.000 0.624 546 A CB -0.705 18.308 19.000 0.022 0.000 0.822 546 A HN 0.294 nan 8.150 nan 0.000 0.444 547 I N -0.997 119.497 120.570 -0.127 0.000 2.127 547 I HA -0.312 3.858 4.170 -0.001 0.000 0.241 547 I C 2.810 178.966 176.117 0.065 0.000 1.075 547 I CA 1.961 63.245 61.300 -0.027 0.000 1.334 547 I CB -0.351 37.608 38.000 -0.067 0.000 1.040 547 I HN 0.373 nan 8.210 nan 0.000 0.405 548 Q N 0.211 120.064 119.800 0.089 0.000 2.084 548 Q HA -0.267 4.072 4.340 -0.001 0.000 0.202 548 Q C 2.072 178.128 176.000 0.093 0.000 0.978 548 Q CA 1.874 57.802 55.803 0.208 0.000 0.844 548 Q CB -0.596 28.401 28.738 0.432 0.000 0.898 548 Q HN 0.565 nan 8.270 nan 0.000 0.426 549 Y N -0.590 119.580 120.300 -0.217 0.000 2.097 549 Y HA -0.305 4.244 4.550 -0.001 0.000 0.282 549 Y C 1.591 177.138 175.900 -0.587 0.000 1.152 549 Y CA 2.094 59.774 58.100 -0.700 0.000 1.136 549 Y CB -0.536 37.250 38.460 -1.122 0.000 0.975 549 Y HN 0.199 nan 8.280 nan 0.000 0.498 550 Y N -0.135 119.945 120.300 -0.366 0.000 2.293 550 Y HA -0.181 4.369 4.550 -0.001 0.000 0.291 550 Y C 2.363 178.116 175.900 -0.245 0.000 1.137 550 Y CA 1.289 59.174 58.100 -0.358 0.000 1.202 550 Y CB -0.715 37.601 38.460 -0.242 0.000 0.990 550 Y HN 0.170 nan 8.280 nan 0.000 0.537 551 L N -1.047 120.180 121.223 0.007 0.000 2.056 551 L HA -0.220 4.120 4.340 -0.001 0.000 0.207 551 L C 2.224 179.047 176.870 -0.079 0.000 1.078 551 L CA 1.112 55.972 54.840 0.033 0.000 0.749 551 L CB -0.629 41.492 42.059 0.102 0.000 0.901 551 L HN 0.226 nan 8.230 nan 0.000 0.433 552 L N -0.258 120.870 121.223 -0.158 0.000 2.083 552 L HA -0.238 4.101 4.340 -0.001 0.000 0.209 552 L C 2.656 179.357 176.870 -0.281 0.000 1.083 552 L CA 1.231 55.935 54.840 -0.226 0.000 0.752 552 L CB -0.393 41.536 42.059 -0.217 0.000 0.899 552 L HN 0.232 nan 8.230 nan 0.000 0.433 553 K N 0.306 120.466 120.400 -0.400 0.000 2.032 553 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 553 K C 2.126 178.614 176.600 -0.188 0.000 1.048 553 K CA 1.520 57.590 56.287 -0.361 0.000 0.927 553 K CB -0.160 32.040 32.500 -0.500 0.000 0.712 553 K HN 0.258 nan 8.250 nan 0.000 0.441 554 A N -0.016 122.732 122.820 -0.121 0.000 1.902 554 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 554 A C 2.225 179.768 177.584 -0.068 0.000 1.181 554 A CA 2.135 54.138 52.037 -0.056 0.000 0.623 554 A CB -0.902 18.097 19.000 -0.001 0.000 0.818 554 A HN 0.404 nan 8.150 nan 0.000 0.443 555 S N -0.382 115.261 115.700 -0.095 0.000 2.368 555 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 555 S C 2.096 176.614 174.600 -0.137 0.000 1.029 555 S CA 1.307 59.442 58.200 -0.109 0.000 0.988 555 S CB -0.567 62.558 63.200 -0.125 0.000 0.838 555 S HN 0.756 nan 8.310 nan 0.000 0.462 556 N N 0.304 118.910 118.700 -0.157 0.000 2.084 556 N HA -0.140 4.600 4.740 -0.001 0.000 0.190 556 N C 1.475 176.903 175.510 -0.138 0.000 1.030 556 N CA 1.270 54.228 53.050 -0.153 0.000 0.849 556 N CB -0.145 38.254 38.487 -0.148 0.000 1.012 556 N HN 0.332 nan 8.380 nan 0.000 0.423 557 E N 1.134 121.260 120.200 -0.123 0.000 2.085 557 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 557 E C 2.022 178.565 176.600 -0.094 0.000 0.994 557 E CA 0.525 56.861 56.400 -0.107 0.000 0.801 557 E CB -0.566 29.092 29.700 -0.069 0.000 0.743 557 E HN 0.345 nan 8.360 nan 0.000 0.453 558 L N 0.755 121.931 121.223 -0.079 0.000 2.131 558 L HA -0.083 4.257 4.340 -0.001 0.000 0.210 558 L C 2.133 178.945 176.870 -0.098 0.000 1.092 558 L CA 1.833 56.630 54.840 -0.072 0.000 0.759 558 L CB -0.659 41.363 42.059 -0.061 0.000 0.903 558 L HN 0.055 nan 8.230 nan 0.000 0.435 559 A N -1.081 121.666 122.820 -0.122 0.000 1.929 559 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 559 A C 2.314 179.833 177.584 -0.107 0.000 1.176 559 A CA 1.443 53.400 52.037 -0.134 0.000 0.628 559 A CB -0.393 18.492 19.000 -0.192 0.000 0.816 559 A HN 0.433 nan 8.150 nan 0.000 0.444 560 K N -0.466 119.860 120.400 -0.124 0.000 2.009 560 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 560 K C 2.156 178.695 176.600 -0.101 0.000 1.049 560 K CA 1.830 58.030 56.287 -0.146 0.000 0.929 560 K CB -0.190 32.153 32.500 -0.261 0.000 0.714 560 K HN 0.712 nan 8.250 nan 0.000 0.440 561 E N 0.777 120.919 120.200 -0.096 0.000 2.031 561 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 561 E C 1.379 177.927 176.600 -0.087 0.000 0.994 561 E CA 1.469 57.819 56.400 -0.083 0.000 0.800 561 E CB 0.235 29.890 29.700 -0.074 0.000 0.752 561 E HN 0.298 nan 8.360 nan 0.000 0.447 562 Q N -0.948 118.796 119.800 -0.093 0.000 2.164 562 Q HA 0.276 4.615 4.340 -0.001 0.000 0.226 562 Q C -0.388 175.563 176.000 -0.082 0.000 0.813 562 Q CA 0.162 55.908 55.803 -0.095 0.000 0.978 562 Q CB 2.099 30.768 28.738 -0.114 0.000 1.149 562 Q HN 0.316 nan 8.270 nan 0.000 0.489 563 G N 1.265 110.017 108.800 -0.080 0.000 2.788 563 G HA2 0.037 3.997 3.960 -0.001 0.000 0.686 563 G HA3 0.037 3.997 3.960 -0.001 0.000 0.686 563 G C -0.471 174.368 174.900 -0.102 0.000 1.147 563 G CA -0.576 44.479 45.100 -0.075 0.000 0.755 563 G HN 0.301 nan 8.290 nan 0.000 0.634 564 A N 1.062 123.804 122.820 -0.129 0.000 2.346 564 A HA 0.661 4.980 4.320 -0.001 0.000 0.252 564 A C 1.628 179.162 177.584 -0.083 0.000 1.089 564 A CA 0.522 52.442 52.037 -0.195 0.000 0.797 564 A CB -0.189 18.588 19.000 -0.372 0.000 1.047 564 A HN 2.560 nan 8.150 nan 0.000 0.494 565 C N 0.098 119.374 119.300 -0.040 0.000 2.662 565 C HA 0.384 4.843 4.460 -0.001 0.000 0.420 565 C C -1.014 174.023 174.990 0.079 0.000 1.314 565 C CA -1.009 58.014 59.018 0.008 0.000 1.963 565 C CB -0.295 27.468 27.740 0.038 0.000 2.686 565 C HN 0.688 nan 8.230 nan 0.000 0.609 566 P HA -0.144 nan 4.420 nan 0.000 0.217 566 P C 0.623 178.107 177.300 0.306 0.000 1.158 566 P CA 1.966 65.109 63.100 0.071 0.000 0.887 566 P CB -0.115 31.523 31.700 -0.104 0.000 0.792 567 W N -1.811 119.557 121.300 0.113 0.000 3.213 567 W HA 0.319 4.978 4.660 -0.001 0.000 0.430 567 W C 1.261 177.879 176.519 0.164 0.000 0.975 567 W CA -1.466 55.949 57.345 0.116 0.000 2.015 567 W CB -1.828 27.684 29.460 0.088 0.000 1.047 567 W HN -0.079 nan 8.180 nan 0.000 0.797 568 F N 3.142 123.226 119.950 0.224 0.000 2.202 568 F HA -0.295 4.231 4.527 -0.001 0.000 0.301 568 F C 2.172 178.059 175.800 0.146 0.000 1.082 568 F CA 2.045 60.137 58.000 0.152 0.000 1.313 568 F CB -0.302 38.752 39.000 0.091 0.000 1.024 568 F HN -0.003 nan 8.300 nan 0.000 0.495 569 N N 0.590 119.338 118.700 0.080 0.000 2.519 569 N HA -0.208 4.532 4.740 -0.001 0.000 0.186 569 N C 1.010 176.486 175.510 -0.057 0.000 1.062 569 N CA 1.436 54.469 53.050 -0.028 0.000 0.910 569 N CB -0.764 37.760 38.487 0.062 0.000 0.958 569 N HN 0.531 nan 8.380 nan 0.000 0.445 570 E N 0.250 120.454 120.200 0.007 0.000 2.479 570 E HA 0.006 4.356 4.350 -0.001 0.000 0.193 570 E C 0.213 176.840 176.600 0.045 0.000 1.049 570 E CA 0.106 56.532 56.400 0.044 0.000 0.870 570 E CB 0.377 30.145 29.700 0.113 0.000 0.944 570 E HN 0.516 nan 8.360 nan 0.000 0.492 571 T N -1.581 112.903 114.554 -0.117 0.000 2.899 571 T HA 0.097 4.446 4.350 -0.001 0.000 0.284 571 T C 1.495 176.051 174.700 -0.241 0.000 1.004 571 T CA -0.299 61.668 62.100 -0.221 0.000 1.043 571 T CB 1.622 70.302 68.868 -0.312 0.000 1.013 571 T HN -0.020 nan 8.240 nan 0.000 0.518 572 T N -1.058 113.343 114.554 -0.256 0.000 2.951 572 T HA -0.083 4.266 4.350 -0.001 0.000 0.268 572 T C 1.422 175.997 174.700 -0.209 0.000 1.073 572 T CA 0.613 62.575 62.100 -0.230 0.000 1.134 572 T CB -0.797 67.909 68.868 -0.269 0.000 0.884 572 T HN 0.627 nan 8.240 nan 0.000 0.479 573 Y N 2.282 122.469 120.300 -0.188 0.000 2.181 573 Y HA 0.116 4.665 4.550 -0.001 0.000 0.288 573 Y C 3.029 178.865 175.900 -0.106 0.000 1.146 573 Y CA 0.457 58.508 58.100 -0.082 0.000 1.164 573 Y CB -1.082 37.385 38.460 0.013 0.000 0.982 573 Y HN 0.323 nan 8.280 nan 0.000 0.515 574 A N 0.223 122.855 122.820 -0.313 0.000 1.986 574 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 574 A C 1.967 179.530 177.584 -0.034 0.000 1.171 574 A CA 1.743 53.594 52.037 -0.311 0.000 0.640 574 A CB -0.500 18.144 19.000 -0.594 0.000 0.811 574 A HN 0.420 nan 8.150 nan 0.000 0.451 575 K N -1.204 119.167 120.400 -0.047 0.000 2.476 575 K HA 0.236 4.555 4.320 -0.001 0.000 0.196 575 K C 0.937 177.554 176.600 0.029 0.000 1.025 575 K CA 0.458 56.740 56.287 -0.007 0.000 1.138 575 K CB -0.128 32.352 32.500 -0.032 0.000 0.860 575 K HN 0.676 nan 8.250 nan 0.000 0.515 576 G N 2.035 110.879 108.800 0.074 0.000 2.143 576 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.248 576 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.248 576 G C 0.102 175.050 174.900 0.079 0.000 0.991 576 G CA -0.130 45.031 45.100 0.102 0.000 0.689 576 G HN 0.290 nan 8.290 nan 0.000 0.522 577 I N 0.627 121.211 120.570 0.023 0.000 2.365 577 I HA 0.562 4.732 4.170 -0.001 0.000 0.291 577 I C 0.762 176.840 176.117 -0.065 0.000 1.004 577 I CA -0.682 60.600 61.300 -0.029 0.000 1.311 577 I CB 1.174 39.120 38.000 -0.089 0.000 1.401 577 I HN -0.019 nan 8.210 nan 0.000 0.491 578 L N 7.004 128.218 121.223 -0.016 0.000 2.301 578 L HA 0.462 4.801 4.340 -0.001 0.000 0.264 578 L C -1.624 175.213 176.870 -0.056 0.000 1.016 578 L CA -1.628 53.225 54.840 0.021 0.000 0.821 578 L CB 1.698 43.886 42.059 0.214 0.000 1.346 578 L HN 0.292 nan 8.230 nan 0.000 0.429 579 P HA -0.193 nan 4.420 nan 0.000 0.215 579 P C 1.544 178.839 177.300 -0.007 0.000 1.157 579 P CA 1.584 64.671 63.100 -0.022 0.000 0.874 579 P CB -0.121 31.599 31.700 0.033 0.000 0.790 580 I N -3.355 117.105 120.570 -0.184 0.000 2.850 580 I HA -0.123 4.047 4.170 -0.001 0.000 0.266 580 I C 0.818 176.965 176.117 0.051 0.000 1.257 580 I CA 1.682 62.886 61.300 -0.160 0.000 1.465 580 I CB -0.707 37.044 38.000 -0.415 0.000 1.091 580 I HN -0.164 nan 8.210 nan 0.000 0.467 581 D N 1.200 121.600 120.400 0.001 0.000 2.355 581 D HA -0.016 4.624 4.640 -0.001 0.000 0.206 581 D C 1.901 178.139 176.300 -0.103 0.000 1.010 581 D CA 1.528 55.503 54.000 -0.042 0.000 0.875 581 D CB 0.350 41.131 40.800 -0.033 0.000 0.966 581 D HN 0.574 nan 8.370 nan 0.000 0.512 582 T N -1.833 112.701 114.554 -0.035 0.000 3.084 582 T HA 0.095 4.444 4.350 -0.001 0.000 0.270 582 T C 0.761 175.375 174.700 -0.143 0.000 1.008 582 T CA -0.719 61.357 62.100 -0.040 0.000 0.900 582 T CB -0.672 68.248 68.868 0.087 0.000 1.084 582 T HN 0.098 nan 8.240 nan 0.000 0.538 583 Y N 1.403 121.505 120.300 -0.330 0.000 2.385 583 Y HA 0.567 5.117 4.550 -0.001 0.000 0.346 583 Y C 0.442 176.057 175.900 -0.475 0.000 1.270 583 Y CA -1.785 55.883 58.100 -0.719 0.000 1.472 583 Y CB 0.474 38.582 38.460 -0.586 0.000 1.354 583 Y HN -0.098 nan 8.280 nan 0.000 0.611 584 K N 2.367 122.557 120.400 -0.349 0.000 2.378 584 K HA 0.098 4.418 4.320 -0.001 0.000 0.288 584 K C 0.433 176.944 176.600 -0.149 0.000 1.057 584 K CA 0.114 56.223 56.287 -0.298 0.000 0.971 584 K CB 0.620 32.914 32.500 -0.344 0.000 0.975 584 K HN 0.787 nan 8.250 nan 0.000 0.475 585 K N 2.507 122.752 120.400 -0.259 0.000 2.218 585 K HA -0.191 4.128 4.320 -0.001 0.000 0.205 585 K C 0.519 177.127 176.600 0.013 0.000 1.046 585 K CA 2.087 58.272 56.287 -0.170 0.000 0.933 585 K CB 0.029 32.411 32.500 -0.198 0.000 0.728 585 K HN 0.700 nan 8.250 nan 0.000 0.454 586 D N 0.691 121.102 120.400 0.019 0.000 2.228 586 D HA -0.174 4.466 4.640 -0.001 0.000 0.203 586 D C 1.436 177.864 176.300 0.215 0.000 0.988 586 D CA 0.827 54.884 54.000 0.095 0.000 0.864 586 D CB -0.076 40.744 40.800 0.033 0.000 0.928 586 D HN 0.129 nan 8.370 nan 0.000 0.469 587 L N 0.670 122.022 121.223 0.214 0.000 2.129 587 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 587 L C 1.663 178.583 176.870 0.083 0.000 1.087 587 L CA 0.940 55.862 54.840 0.138 0.000 0.757 587 L CB -0.383 41.709 42.059 0.054 0.000 0.896 587 L HN 0.052 nan 8.230 nan 0.000 0.434 588 D N -0.464 120.014 120.400 0.129 0.000 2.182 588 D HA -0.185 4.454 4.640 -0.001 0.000 0.201 588 D C 2.225 178.549 176.300 0.041 0.000 0.986 588 D CA 1.964 56.011 54.000 0.077 0.000 0.847 588 D CB -0.233 40.623 40.800 0.094 0.000 0.942 588 D HN 0.421 nan 8.370 nan 0.000 0.467 589 T N -1.213 113.381 114.554 0.067 0.000 3.072 589 T HA -0.056 4.294 4.350 -0.001 0.000 0.266 589 T C 1.855 176.573 174.700 0.030 0.000 1.127 589 T CA 0.515 62.650 62.100 0.058 0.000 1.107 589 T CB -0.428 68.496 68.868 0.094 0.000 0.910 589 T HN 0.437 nan 8.240 nan 0.000 0.513 590 I N -2.255 118.309 120.570 -0.010 0.000 4.154 590 I HA 0.745 4.915 4.170 -0.001 0.000 0.334 590 I C 0.403 176.470 176.117 -0.083 0.000 1.371 590 I CA -1.060 60.196 61.300 -0.074 0.000 1.110 590 I CB 0.368 38.239 38.000 -0.216 0.000 1.085 590 I HN 0.226 nan 8.210 nan 0.000 0.398 591 A N 2.550 125.325 122.820 -0.075 0.000 2.488 591 A HA 0.541 4.861 4.320 -0.001 0.000 0.298 591 A C -0.147 177.356 177.584 -0.134 0.000 1.044 591 A CA -0.638 51.338 52.037 -0.102 0.000 0.693 591 A CB 0.916 19.857 19.000 -0.098 0.000 1.272 591 A HN 0.339 nan 8.150 nan 0.000 0.402 592 N N 1.262 119.880 118.700 -0.138 0.000 2.170 592 N HA 0.059 4.799 4.740 -0.001 0.000 0.222 592 N C -0.132 175.283 175.510 -0.158 0.000 1.218 592 N CA -0.176 52.799 53.050 -0.124 0.000 0.889 592 N CB 0.640 39.087 38.487 -0.066 0.000 1.083 592 N HN 0.653 nan 8.380 nan 0.000 0.520 593 E N 3.405 123.453 120.200 -0.254 0.000 2.414 593 E HA 0.170 4.520 4.350 -0.001 0.000 0.263 593 E C -2.118 174.366 176.600 -0.194 0.000 1.000 593 E CA -1.218 55.062 56.400 -0.200 0.000 0.914 593 E CB 0.760 30.330 29.700 -0.216 0.000 0.948 593 E HN 0.237 nan 8.360 nan 0.000 0.444 594 P HA 0.127 nan 4.420 nan 0.000 0.276 594 P C -0.663 176.816 177.300 0.298 0.000 1.252 594 P CA -0.324 62.843 63.100 0.111 0.000 0.802 594 P CB 0.633 32.380 31.700 0.078 0.000 1.035 595 L N 1.870 123.258 121.223 0.275 0.000 2.380 595 L HA 0.184 4.524 4.340 -0.001 0.000 0.273 595 L C 1.720 178.805 176.870 0.358 0.000 1.138 595 L CA -0.154 54.901 54.840 0.359 0.000 0.832 595 L CB -0.062 42.185 42.059 0.313 0.000 1.124 595 L HN 0.520 nan 8.230 nan 0.000 0.454 596 H N 1.397 120.470 119.070 0.006 0.000 2.705 596 H HA 0.156 4.712 4.556 -0.001 0.000 0.269 596 H C -0.601 174.384 175.328 -0.571 0.000 0.998 596 H CA -0.171 55.699 56.048 -0.297 0.000 1.193 596 H CB 0.703 30.201 29.762 -0.441 0.000 1.485 596 H HN 0.408 nan 8.280 nan 0.000 0.521 597 Y N 0.608 120.879 120.300 -0.048 0.000 2.528 597 Y HA 0.133 4.682 4.550 -0.001 0.000 0.335 597 Y C 0.288 176.035 175.900 -0.255 0.000 1.093 597 Y CA -1.315 56.497 58.100 -0.479 0.000 1.134 597 Y CB 1.018 38.606 38.460 -1.453 0.000 1.253 597 Y HN -0.078 nan 8.280 nan 0.000 0.478 598 D N 1.215 121.547 120.400 -0.113 0.000 2.455 598 D HA 0.015 4.655 4.640 -0.001 0.000 0.234 598 D C -0.067 176.309 176.300 0.127 0.000 1.224 598 D CA 0.080 54.118 54.000 0.063 0.000 0.999 598 D CB -0.034 40.810 40.800 0.072 0.000 1.072 598 D HN 0.502 nan 8.370 nan 0.000 0.514 599 W N 1.702 123.109 121.300 0.179 0.000 2.467 599 W HA -0.031 4.628 4.660 -0.001 0.000 0.275 599 W C 2.016 178.640 176.519 0.174 0.000 1.239 599 W CA 0.040 57.520 57.345 0.224 0.000 1.266 599 W CB 0.270 29.856 29.460 0.210 0.000 1.112 599 W HN 0.356 nan 8.180 nan 0.000 0.576 600 E N -0.029 120.366 120.200 0.325 0.000 2.152 600 E HA -0.090 4.260 4.350 -0.001 0.000 0.192 600 E C 2.229 178.929 176.600 0.166 0.000 0.983 600 E CA 1.231 57.764 56.400 0.220 0.000 0.818 600 E CB -0.806 28.995 29.700 0.169 0.000 0.758 600 E HN 0.255 nan 8.360 nan 0.000 0.467 601 A N 1.468 124.377 122.820 0.147 0.000 1.873 601 A HA -0.144 4.176 4.320 -0.001 0.000 0.215 601 A C 2.265 179.912 177.584 0.106 0.000 1.186 601 A CA 1.122 53.226 52.037 0.111 0.000 0.616 601 A CB -0.624 18.434 19.000 0.097 0.000 0.823 601 A HN 0.223 nan 8.150 nan 0.000 0.442 602 L N -0.129 121.160 121.223 0.109 0.000 2.046 602 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 602 L C 2.479 179.422 176.870 0.122 0.000 1.077 602 L CA 2.280 57.157 54.840 0.061 0.000 0.747 602 L CB -0.561 41.480 42.059 -0.030 0.000 0.896 602 L HN 0.483 nan 8.230 nan 0.000 0.432 603 R N -0.675 119.942 120.500 0.195 0.000 2.094 603 R HA -0.218 4.122 4.340 -0.001 0.000 0.239 603 R C 2.194 178.585 176.300 0.152 0.000 1.137 603 R CA 1.859 58.083 56.100 0.206 0.000 0.943 603 R CB -0.245 30.181 30.300 0.210 0.000 0.850 603 R HN 0.370 nan 8.270 nan 0.000 0.433 604 E N 0.095 120.369 120.200 0.123 0.000 2.058 604 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 604 E C 1.984 178.634 176.600 0.084 0.000 0.997 604 E CA 1.367 57.822 56.400 0.092 0.000 0.801 604 E CB -0.455 29.293 29.700 0.080 0.000 0.746 604 E HN 0.243 nan 8.360 nan 0.000 0.450 605 S N 0.088 115.849 115.700 0.101 0.000 2.368 605 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 605 S C 2.099 176.774 174.600 0.126 0.000 1.030 605 S CA 0.830 59.116 58.200 0.144 0.000 0.999 605 S CB -0.176 63.092 63.200 0.113 0.000 0.844 605 S HN 0.172 nan 8.310 nan 0.000 0.459 606 I N 0.971 121.602 120.570 0.101 0.000 2.179 606 I HA -0.185 3.984 4.170 -0.001 0.000 0.242 606 I C 2.662 178.874 176.117 0.159 0.000 1.088 606 I CA 1.239 62.605 61.300 0.111 0.000 1.357 606 I CB -0.280 37.818 38.000 0.163 0.000 1.051 606 I HN 0.229 nan 8.210 nan 0.000 0.409 607 K N 0.100 120.594 120.400 0.157 0.000 2.063 607 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 607 K C 2.120 178.758 176.600 0.064 0.000 1.048 607 K CA 2.086 58.460 56.287 0.145 0.000 0.928 607 K CB -0.156 32.406 32.500 0.103 0.000 0.713 607 K HN 0.346 nan 8.250 nan 0.000 0.442 608 T N -0.712 113.813 114.554 -0.048 0.000 2.770 608 T HA -0.070 4.280 4.350 -0.001 0.000 0.258 608 T C 1.347 175.834 174.700 -0.355 0.000 1.039 608 T CA 1.322 63.276 62.100 -0.242 0.000 1.143 608 T CB -0.187 68.437 68.868 -0.407 0.000 0.866 608 T HN 0.383 nan 8.240 nan 0.000 0.428 609 H N 0.004 119.049 119.070 -0.041 0.000 2.592 609 H HA 0.476 5.032 4.556 -0.001 0.000 0.265 609 H C 1.384 176.575 175.328 -0.228 0.000 0.955 609 H CA 0.158 56.145 56.048 -0.102 0.000 1.175 609 H CB 0.046 29.750 29.762 -0.096 0.000 1.433 609 H HN 0.538 nan 8.280 nan 0.000 0.537 610 G N 0.485 109.152 108.800 -0.223 0.000 2.741 610 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.222 610 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.222 610 G C -0.824 173.628 174.900 -0.747 0.000 1.364 610 G CA -0.456 44.137 45.100 -0.846 0.000 0.866 610 G HN 0.198 nan 8.290 nan 0.000 0.555 611 L N -0.427 120.103 121.223 -1.155 0.000 2.354 611 L HA 0.613 4.953 4.340 -0.001 0.000 0.269 611 L C 1.467 178.141 176.870 -0.327 0.000 1.005 611 L CA -0.934 53.626 54.840 -0.468 0.000 0.819 611 L CB 1.943 43.888 42.059 -0.190 0.000 1.311 611 L HN 0.731 nan 8.230 nan 0.000 0.423 612 R N 1.748 122.133 120.500 -0.193 0.000 2.090 612 R HA 0.004 4.344 4.340 -0.001 0.000 0.228 612 R C -0.145 176.117 176.300 -0.062 0.000 1.110 612 R CA 1.302 57.328 56.100 -0.124 0.000 0.973 612 R CB -0.082 30.157 30.300 -0.103 0.000 0.869 612 R HN 0.675 nan 8.270 nan 0.000 0.440 613 N N -0.935 117.737 118.700 -0.046 0.000 2.362 613 N HA 0.206 4.946 4.740 -0.001 0.000 0.298 613 N C -0.232 175.309 175.510 0.051 0.000 1.048 613 N CA -0.275 52.776 53.050 0.002 0.000 0.858 613 N CB 2.161 40.638 38.487 -0.018 0.000 1.218 613 N HN -0.126 nan 8.380 nan 0.000 0.488 614 S N -0.275 115.492 115.700 0.112 0.000 2.406 614 S HA -0.049 4.420 4.470 -0.001 0.000 0.228 614 S C 0.866 175.490 174.600 0.039 0.000 1.020 614 S CA 0.893 59.168 58.200 0.124 0.000 0.965 614 S CB -0.134 63.206 63.200 0.232 0.000 0.798 614 S HN 0.836 nan 8.310 nan 0.000 0.488 615 T N -1.619 112.978 114.554 0.072 0.000 2.900 615 T HA 0.723 5.072 4.350 -0.001 0.000 0.295 615 T C 0.179 174.910 174.700 0.052 0.000 1.044 615 T CA -0.783 61.359 62.100 0.071 0.000 0.995 615 T CB 1.711 70.647 68.868 0.113 0.000 1.072 615 T HN -0.037 nan 8.240 nan 0.000 0.473 616 L N 1.420 122.675 121.223 0.055 0.000 2.694 616 L HA 0.362 4.702 4.340 -0.001 0.000 0.228 616 L C 0.939 177.831 176.870 0.038 0.000 1.048 616 L CA -0.032 54.828 54.840 0.034 0.000 0.887 616 L CB 0.529 42.603 42.059 0.024 0.000 1.265 616 L HN 0.895 nan 8.230 nan 0.000 0.492 617 S N -0.224 115.515 115.700 0.066 0.000 2.532 617 S HA 0.896 5.365 4.470 -0.001 0.000 0.301 617 S C -0.524 174.104 174.600 0.047 0.000 1.083 617 S CA -0.389 57.849 58.200 0.063 0.000 1.025 617 S CB 2.572 65.845 63.200 0.122 0.000 1.056 617 S HN 0.118 nan 8.310 nan 0.000 0.494 618 A N 2.024 124.860 122.820 0.026 0.000 2.532 618 A HA 0.599 4.918 4.320 -0.001 0.000 0.296 618 A C -1.283 176.299 177.584 -0.003 0.000 1.058 618 A CA -0.775 51.265 52.037 0.004 0.000 0.729 618 A CB 0.885 19.878 19.000 -0.012 0.000 1.285 618 A HN 0.854 nan 8.150 nan 0.000 0.396 619 L N 4.549 125.763 121.223 -0.016 0.000 2.272 619 L HA 0.430 4.769 4.340 -0.001 0.000 0.284 619 L C 0.349 177.197 176.870 -0.037 0.000 1.045 619 L CA -0.507 54.325 54.840 -0.013 0.000 0.842 619 L CB 0.908 42.948 42.059 -0.032 0.000 1.224 619 L HN 0.845 nan 8.230 nan 0.000 0.430 620 M N 3.363 122.946 119.600 -0.028 0.000 2.471 620 M HA 0.702 5.181 4.480 -0.001 0.000 0.309 620 M C -2.715 173.585 176.300 -0.000 0.000 1.186 620 M CA -2.132 53.138 55.300 -0.049 0.000 1.008 620 M CB 0.285 32.858 32.600 -0.045 0.000 1.551 620 M HN 0.011 nan 8.290 nan 0.000 0.477 621 P HA 0.378 nan 4.420 nan 0.000 0.272 621 P C -1.137 176.210 177.300 0.080 0.000 1.240 621 P CA -0.264 62.878 63.100 0.070 0.000 0.791 621 P CB 0.592 32.355 31.700 0.104 0.000 0.978 622 S N -1.651 114.113 115.700 0.107 0.000 2.584 622 S HA 0.366 4.836 4.470 -0.001 0.000 0.280 622 S C 0.028 174.693 174.600 0.107 0.000 1.162 622 S CA -0.503 57.758 58.200 0.102 0.000 0.951 622 S CB 1.835 65.094 63.200 0.099 0.000 1.108 622 S HN 0.424 nan 8.310 nan 0.000 0.464 623 E N 2.789 123.050 120.200 0.102 0.000 2.279 623 E HA 0.179 4.529 4.350 -0.001 0.000 0.199 623 E C 1.530 178.170 176.600 0.067 0.000 0.893 623 E CA 1.281 57.733 56.400 0.086 0.000 0.978 623 E CB -0.285 29.468 29.700 0.088 0.000 0.964 623 E HN 0.674 nan 8.360 nan 0.000 0.486 624 T N 0.305 114.904 114.554 0.076 0.000 2.701 624 T HA -0.099 4.251 4.350 -0.001 0.000 0.263 624 T C 1.941 176.683 174.700 0.070 0.000 1.040 624 T CA 1.543 63.679 62.100 0.059 0.000 1.147 624 T CB -0.464 68.465 68.868 0.102 0.000 0.865 624 T HN 0.116 nan 8.240 nan 0.000 0.426 625 S N 2.476 118.253 115.700 0.129 0.000 2.365 625 S HA -0.165 4.304 4.470 -0.001 0.000 0.225 625 S C 2.484 177.146 174.600 0.103 0.000 1.039 625 S CA 1.616 59.908 58.200 0.153 0.000 1.033 625 S CB -0.715 62.578 63.200 0.154 0.000 0.887 625 S HN 0.607 nan 8.310 nan 0.000 0.447 626 S N 2.050 117.801 115.700 0.084 0.000 2.382 626 S HA -0.167 4.303 4.470 -0.001 0.000 0.228 626 S C 1.919 176.531 174.600 0.019 0.000 1.027 626 S CA 0.929 59.168 58.200 0.065 0.000 0.991 626 S CB -0.457 62.793 63.200 0.083 0.000 0.823 626 S HN 0.490 nan 8.310 nan 0.000 0.469 627 Q N 0.466 120.269 119.800 0.006 0.000 2.084 627 Q HA -0.041 4.299 4.340 -0.001 0.000 0.202 627 Q C 2.168 178.131 176.000 -0.061 0.000 0.978 627 Q CA 1.120 56.903 55.803 -0.034 0.000 0.844 627 Q CB -0.319 28.388 28.738 -0.051 0.000 0.898 627 Q HN 0.502 nan 8.270 nan 0.000 0.426 628 I N 0.577 121.115 120.570 -0.054 0.000 2.361 628 I HA -0.188 3.982 4.170 -0.001 0.000 0.251 628 I C 1.605 177.649 176.117 -0.122 0.000 1.133 628 I CA 1.264 62.547 61.300 -0.029 0.000 1.413 628 I CB -0.653 37.384 38.000 0.062 0.000 1.073 628 I HN 0.101 nan 8.210 nan 0.000 0.424 629 S N -0.147 115.425 115.700 -0.215 0.000 2.572 629 S HA 0.077 4.546 4.470 -0.001 0.000 0.228 629 S C 0.639 175.048 174.600 -0.320 0.000 0.963 629 S CA -0.385 57.484 58.200 -0.551 0.000 0.939 629 S CB -0.541 62.497 63.200 -0.270 0.000 0.804 629 S HN 0.545 nan 8.310 nan 0.000 0.480 630 N N 1.190 119.792 118.700 -0.164 0.000 2.667 630 N HA -0.224 4.515 4.740 -0.001 0.000 0.263 630 N C -0.387 175.085 175.510 -0.063 0.000 1.038 630 N CA 0.191 53.190 53.050 -0.085 0.000 0.749 630 N CB -0.992 37.462 38.487 -0.056 0.000 0.892 630 N HN 0.649 nan 8.380 nan 0.000 0.546 631 A N 0.985 123.796 122.820 -0.016 0.000 2.413 631 A HA 0.666 4.985 4.320 -0.001 0.000 0.307 631 A C 0.353 177.995 177.584 0.095 0.000 1.087 631 A CA -0.092 51.973 52.037 0.047 0.000 0.750 631 A CB 1.158 20.210 19.000 0.087 0.000 1.296 631 A HN 0.461 nan 8.150 nan 0.000 0.423 632 T N 0.015 114.670 114.554 0.168 0.000 2.930 632 T HA 0.290 4.640 4.350 -0.001 0.000 0.306 632 T C 0.064 174.879 174.700 0.191 0.000 1.045 632 T CA -0.312 61.902 62.100 0.191 0.000 1.134 632 T CB -0.415 68.626 68.868 0.288 0.000 0.961 632 T HN 0.576 nan 8.240 nan 0.000 0.545 633 N N 2.030 120.825 118.700 0.159 0.000 2.483 633 N HA 0.435 5.175 4.740 -0.001 0.000 0.264 633 N C 1.502 177.130 175.510 0.196 0.000 1.197 633 N CA 0.470 53.613 53.050 0.155 0.000 0.927 633 N CB 0.237 38.800 38.487 0.127 0.000 1.065 633 N HN 1.050 nan 8.380 nan 0.000 0.461 634 G N 2.529 111.438 108.800 0.183 0.000 2.698 634 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.346 634 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.346 634 G C 0.732 175.793 174.900 0.268 0.000 1.287 634 G CA 1.154 46.367 45.100 0.188 0.000 0.990 634 G HN 0.835 nan 8.290 nan 0.000 0.545 635 I N -1.509 119.221 120.570 0.266 0.000 3.976 635 I HA 0.466 4.635 4.170 -0.001 0.000 0.337 635 I C 0.136 176.585 176.117 0.553 0.000 1.359 635 I CA -0.120 61.411 61.300 0.385 0.000 1.098 635 I CB 0.362 38.435 38.000 0.122 0.000 1.027 635 I HN 0.086 nan 8.210 nan 0.000 0.394 636 E N 3.616 124.043 120.200 0.378 0.000 2.343 636 E HA 0.366 4.716 4.350 -0.001 0.000 0.269 636 E C -2.337 174.374 176.600 0.186 0.000 1.047 636 E CA -2.120 54.428 56.400 0.247 0.000 0.874 636 E CB 0.360 30.132 29.700 0.119 0.000 1.033 636 E HN 0.084 nan 8.360 nan 0.000 0.409 637 P HA 0.186 nan 4.420 nan 0.000 0.275 637 P C -2.472 174.772 177.300 -0.093 0.000 1.228 637 P CA -1.378 61.640 63.100 -0.137 0.000 0.786 637 P CB -0.423 30.973 31.700 -0.508 0.000 0.927 638 P HA 0.215 nan 4.420 nan 0.000 0.271 638 P C 0.735 177.933 177.300 -0.169 0.000 1.218 638 P CA -0.045 63.004 63.100 -0.085 0.000 0.780 638 P CB 0.765 32.393 31.700 -0.120 0.000 0.901 639 R N 0.782 121.192 120.500 -0.149 0.000 2.200 639 R HA 0.236 4.576 4.340 -0.001 0.000 0.208 639 R C 1.120 177.348 176.300 -0.120 0.000 1.033 639 R CA 0.739 56.748 56.100 -0.152 0.000 1.000 639 R CB 0.008 30.268 30.300 -0.067 0.000 0.906 639 R HN 0.669 nan 8.270 nan 0.000 0.462 640 G N -2.184 106.521 108.800 -0.159 0.000 2.559 640 G HA2 0.194 4.153 3.960 -0.001 0.000 0.291 640 G HA3 0.194 4.153 3.960 -0.001 0.000 0.291 640 G C -0.739 174.008 174.900 -0.254 0.000 1.424 640 G CA -0.745 44.222 45.100 -0.222 0.000 0.786 640 G HN -0.062 nan 8.290 nan 0.000 0.485 641 Y N -0.701 119.569 120.300 -0.050 0.000 2.293 641 Y HA 0.183 4.733 4.550 -0.001 0.000 0.291 641 Y C 1.489 177.301 175.900 -0.146 0.000 1.137 641 Y CA 0.618 58.658 58.100 -0.100 0.000 1.202 641 Y CB 0.041 38.452 38.460 -0.082 0.000 0.990 641 Y HN 0.150 nan 8.280 nan 0.000 0.537 642 V N -0.559 119.365 119.914 0.017 0.000 2.540 642 V HA 0.325 4.444 4.120 -0.001 0.000 0.302 642 V C -0.158 175.924 176.094 -0.020 0.000 1.035 642 V CA -1.178 61.107 62.300 -0.025 0.000 0.873 642 V CB 1.822 33.621 31.823 -0.041 0.000 0.992 642 V HN -0.103 nan 8.190 nan 0.000 0.428 643 S N 4.237 119.924 115.700 -0.021 0.000 2.499 643 S HA 0.718 5.188 4.470 -0.001 0.000 0.279 643 S C -0.485 174.111 174.600 -0.007 0.000 1.219 643 S CA -0.266 57.927 58.200 -0.012 0.000 1.062 643 S CB 0.556 63.748 63.200 -0.012 0.000 0.978 643 S HN 0.483 nan 8.310 nan 0.000 0.489 644 I N 4.147 124.717 120.570 -0.001 0.000 2.406 644 I HA 0.462 4.631 4.170 -0.001 0.000 0.290 644 I C -0.082 176.038 176.117 0.005 0.000 0.999 644 I CA -0.130 61.172 61.300 0.003 0.000 1.124 644 I CB 1.667 39.669 38.000 0.003 0.000 1.289 644 I HN 0.420 nan 8.210 nan 0.000 0.441 645 K N 3.849 124.252 120.400 0.005 0.000 2.426 645 K HA 0.874 5.194 4.320 -0.001 0.000 0.251 645 K C -1.048 175.556 176.600 0.007 0.000 0.941 645 K CA -0.818 55.472 56.287 0.004 0.000 0.808 645 K CB 2.323 34.820 32.500 -0.004 0.000 1.265 645 K HN 0.621 nan 8.250 nan 0.000 0.432 646 A N 1.075 123.899 122.820 0.007 0.000 2.310 646 A HA 0.649 4.969 4.320 -0.001 0.000 0.299 646 A C -0.503 177.085 177.584 0.007 0.000 1.147 646 A CA -0.228 51.815 52.037 0.010 0.000 0.818 646 A CB 1.187 20.193 19.000 0.010 0.000 1.096 646 A HN 0.550 nan 8.150 nan 0.000 0.495 647 S N 0.274 115.981 115.700 0.012 0.000 2.651 647 S HA 0.422 4.892 4.470 -0.001 0.000 0.279 647 S C 0.788 175.398 174.600 0.017 0.000 1.148 647 S CA -0.075 58.130 58.200 0.009 0.000 0.837 647 S CB 1.166 64.367 63.200 0.002 0.000 1.138 647 S HN 0.757 nan 8.310 nan 0.000 0.478 648 K N 0.826 121.236 120.400 0.016 0.000 2.103 648 K HA 0.000 4.320 4.320 -0.001 0.000 0.204 648 K C 0.639 177.258 176.600 0.032 0.000 1.052 648 K CA 1.462 57.762 56.287 0.022 0.000 0.945 648 K CB -0.394 32.118 32.500 0.020 0.000 0.722 648 K HN 0.567 nan 8.250 nan 0.000 0.443 649 D N 1.015 121.440 120.400 0.041 0.000 2.277 649 D HA 0.034 4.674 4.640 -0.001 0.000 0.208 649 D C 1.092 177.431 176.300 0.065 0.000 0.962 649 D CA 1.223 55.260 54.000 0.061 0.000 0.865 649 D CB 0.519 41.370 40.800 0.084 0.000 0.939 649 D HN 0.475 nan 8.370 nan 0.000 0.510 650 G N 0.284 109.118 108.800 0.058 0.000 2.351 650 G HA2 0.175 4.134 3.960 -0.001 0.000 0.279 650 G HA3 0.175 4.134 3.960 -0.001 0.000 0.279 650 G C -1.570 173.360 174.900 0.050 0.000 1.297 650 G CA -0.966 44.165 45.100 0.052 0.000 0.886 650 G HN 0.031 nan 8.290 nan 0.000 0.493 651 I N 1.314 121.911 120.570 0.045 0.000 2.371 651 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 651 I C 0.065 176.221 176.117 0.066 0.000 1.028 651 I CA -0.316 61.007 61.300 0.038 0.000 1.345 651 I CB 1.092 39.102 38.000 0.018 0.000 1.407 651 I HN 0.196 nan 8.210 nan 0.000 0.501 652 L N 7.667 128.924 121.223 0.056 0.000 2.264 652 L HA 0.472 4.812 4.340 -0.001 0.000 0.289 652 L C 0.021 176.918 176.870 0.046 0.000 1.044 652 L CA -0.399 54.485 54.840 0.072 0.000 0.807 652 L CB 0.650 42.713 42.059 0.006 0.000 1.192 652 L HN 0.569 nan 8.230 nan 0.000 0.425 653 R N 3.161 123.700 120.500 0.065 0.000 2.637 653 R HA 0.545 4.885 4.340 -0.001 0.000 0.291 653 R C -0.980 175.329 176.300 0.015 0.000 0.963 653 R CA -0.712 55.402 56.100 0.022 0.000 0.901 653 R CB 2.444 32.745 30.300 0.002 0.000 1.160 653 R HN 0.500 nan 8.270 nan 0.000 0.457 654 Q N 1.999 121.792 119.800 -0.012 0.000 2.285 654 Q HA 0.363 4.703 4.340 -0.001 0.000 0.269 654 Q C -1.498 174.479 176.000 -0.038 0.000 1.030 654 Q CA -0.709 55.077 55.803 -0.029 0.000 0.788 654 Q CB 2.369 31.090 28.738 -0.029 0.000 1.266 654 Q HN 0.395 nan 8.270 nan 0.000 0.438 655 V N 3.798 123.684 119.914 -0.047 0.000 2.481 655 V HA 0.326 4.445 4.120 -0.001 0.000 0.286 655 V C 0.466 176.558 176.094 -0.003 0.000 1.042 655 V CA -0.823 61.450 62.300 -0.045 0.000 0.928 655 V CB 1.125 32.911 31.823 -0.062 0.000 0.986 655 V HN 0.698 nan 8.190 nan 0.000 0.462 656 V N 3.301 123.221 119.914 0.011 0.000 2.928 656 V HA 0.190 4.310 4.120 -0.001 0.000 0.307 656 V C -2.031 174.123 176.094 0.100 0.000 1.105 656 V CA -1.284 61.022 62.300 0.009 0.000 1.223 656 V CB -0.523 31.195 31.823 -0.174 0.000 0.930 656 V HN 0.781 nan 8.190 nan 0.000 0.499 657 P HA 0.070 nan 4.420 nan 0.000 0.262 657 P C 0.105 177.464 177.300 0.098 0.000 1.182 657 P CA 0.713 63.764 63.100 -0.082 0.000 0.761 657 P CB 0.089 31.442 31.700 -0.577 0.000 0.795 658 D N 1.560 122.044 120.400 0.140 0.000 2.708 658 D HA -0.274 4.366 4.640 -0.001 0.000 0.236 658 D C 0.418 176.940 176.300 0.370 0.000 1.146 658 D CA 0.615 54.759 54.000 0.241 0.000 0.662 658 D CB -1.561 39.380 40.800 0.235 0.000 1.059 658 D HN 0.507 nan 8.370 nan 0.000 0.428 659 Y N 0.372 120.835 120.300 0.272 0.000 2.165 659 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 659 Y C 2.194 178.281 175.900 0.313 0.000 1.155 659 Y CA 2.562 60.836 58.100 0.289 0.000 1.164 659 Y CB -0.213 38.335 38.460 0.148 0.000 0.978 659 Y HN 0.305 nan 8.280 nan 0.000 0.513 660 E N -0.717 119.656 120.200 0.288 0.000 2.086 660 E HA -0.320 4.029 4.350 -0.001 0.000 0.205 660 E C 1.787 178.464 176.600 0.128 0.000 1.027 660 E CA 2.274 58.805 56.400 0.218 0.000 0.830 660 E CB -0.340 29.556 29.700 0.327 0.000 0.751 660 E HN 0.730 nan 8.360 nan 0.000 0.456 661 H N -1.857 117.224 119.070 0.017 0.000 2.654 661 H HA 0.140 4.695 4.556 -0.001 0.000 0.264 661 H C 1.205 176.431 175.328 -0.170 0.000 0.954 661 H CA 0.377 56.384 56.048 -0.068 0.000 1.199 661 H CB 0.721 30.465 29.762 -0.030 0.000 1.446 661 H HN 0.176 nan 8.280 nan 0.000 0.516 662 L N 1.343 122.578 121.223 0.020 0.000 2.906 662 L HA 0.057 4.397 4.340 -0.001 0.000 0.255 662 L C 2.167 179.038 176.870 0.001 0.000 1.166 662 L CA -0.142 54.670 54.840 -0.048 0.000 0.977 662 L CB -0.051 42.011 42.059 0.005 0.000 1.313 662 L HN 0.350 nan 8.230 nan 0.000 0.549 663 H N -0.596 118.417 119.070 -0.095 0.000 2.357 663 H HA -0.204 4.351 4.556 -0.001 0.000 0.296 663 H C 0.525 175.926 175.328 0.121 0.000 1.108 663 H CA 1.775 57.724 56.048 -0.166 0.000 1.273 663 H CB -0.273 28.937 29.762 -0.918 0.000 1.367 663 H HN 0.337 nan 8.280 nan 0.000 0.498 664 D N 0.936 121.213 120.400 -0.204 0.000 2.347 664 D HA 0.139 4.779 4.640 -0.001 0.000 0.213 664 D C 2.115 178.433 176.300 0.031 0.000 0.985 664 D CA 0.852 54.853 54.000 0.002 0.000 0.879 664 D CB 0.078 40.827 40.800 -0.085 0.000 0.919 664 D HN 0.586 nan 8.370 nan 0.000 0.526 665 A N -0.073 122.738 122.820 -0.016 0.000 1.984 665 A HA -0.024 4.296 4.320 -0.001 0.000 0.214 665 A C 0.695 178.283 177.584 0.006 0.000 1.173 665 A CA 0.165 52.169 52.037 -0.056 0.000 0.673 665 A CB -0.351 18.548 19.000 -0.169 0.000 0.830 665 A HN 0.064 nan 8.150 nan 0.000 0.453 666 Y N 0.332 120.718 120.300 0.143 0.000 2.511 666 Y HA 0.241 4.791 4.550 -0.000 0.000 0.347 666 Y C 0.799 176.792 175.900 0.155 0.000 1.257 666 Y CA 0.766 58.976 58.100 0.184 0.000 1.469 666 Y CB 0.380 39.002 38.460 0.270 0.000 1.353 666 Y HN 0.394 nan 8.280 nan 0.000 0.617 667 E N 3.132 123.533 120.200 0.335 0.000 2.267 667 E HA 0.340 4.689 4.350 -0.001 0.000 0.248 667 E C -1.545 175.127 176.600 0.121 0.000 0.899 667 E CA -0.412 56.116 56.400 0.214 0.000 0.764 667 E CB 0.385 30.218 29.700 0.222 0.000 1.227 667 E HN 0.582 nan 8.360 nan 0.000 0.421 668 L N 4.450 125.690 121.223 0.030 0.000 2.467 668 L HA 0.048 4.388 4.340 -0.001 0.000 0.270 668 L C 1.725 178.499 176.870 -0.161 0.000 1.205 668 L CA -0.438 54.342 54.840 -0.100 0.000 0.828 668 L CB 0.241 42.199 42.059 -0.167 0.000 1.101 668 L HN 0.716 nan 8.230 nan 0.000 0.479 669 L N 2.367 123.404 121.223 -0.309 0.000 1.997 669 L HA -0.234 4.105 4.340 -0.001 0.000 0.227 669 L C 1.603 178.159 176.870 -0.523 0.000 1.087 669 L CA 2.190 56.697 54.840 -0.555 0.000 0.797 669 L CB -0.545 41.008 42.059 -0.842 0.000 0.902 669 L HN 0.581 nan 8.230 nan 0.000 0.441 670 W N -0.205 121.055 121.300 -0.067 0.000 3.310 670 W HA 0.087 4.747 4.660 0.000 0.000 0.259 670 W C 1.844 178.351 176.519 -0.020 0.000 1.324 670 W CA -0.026 57.296 57.345 -0.039 0.000 1.636 670 W CB -0.157 29.288 29.460 -0.024 0.000 1.104 670 W HN 0.313 nan 8.180 nan 0.000 0.722 671 E N 0.024 120.297 120.200 0.122 0.000 2.415 671 E HA 0.059 4.408 4.350 -0.001 0.000 0.197 671 E C 0.945 177.594 176.600 0.081 0.000 1.007 671 E CA 0.093 56.555 56.400 0.104 0.000 0.890 671 E CB 0.083 29.834 29.700 0.085 0.000 0.891 671 E HN 0.249 nan 8.360 nan 0.000 0.496 672 M N 2.024 121.650 119.600 0.045 0.000 2.239 672 M HA 0.049 4.528 4.480 -0.001 0.000 0.348 672 M C -1.719 174.622 176.300 0.069 0.000 1.239 672 M CA -1.272 54.053 55.300 0.041 0.000 1.114 672 M CB 0.222 32.808 32.600 -0.024 0.000 1.641 672 M HN -0.183 nan 8.290 nan 0.000 0.453 673 P HA 0.077 nan 4.420 nan 0.000 0.225 673 P C 0.408 177.748 177.300 0.067 0.000 1.156 673 P CA 0.613 63.747 63.100 0.057 0.000 0.787 673 P CB 0.371 32.101 31.700 0.049 0.000 0.802 674 G N -1.396 107.447 108.800 0.071 0.000 2.490 674 G HA2 0.107 4.067 3.960 -0.001 0.000 0.308 674 G HA3 0.107 4.067 3.960 -0.001 0.000 0.308 674 G C -0.478 174.450 174.900 0.047 0.000 1.286 674 G CA -0.414 44.733 45.100 0.080 0.000 0.825 674 G HN -0.199 nan 8.290 nan 0.000 0.479 675 N N 0.214 118.948 118.700 0.057 0.000 2.254 675 N HA 0.057 4.797 4.740 -0.001 0.000 0.190 675 N C 0.910 176.531 175.510 0.184 0.000 1.107 675 N CA 0.253 53.353 53.050 0.083 0.000 0.869 675 N CB 0.669 39.183 38.487 0.044 0.000 0.983 675 N HN 0.517 nan 8.380 nan 0.000 0.487 676 D N 1.216 121.716 120.400 0.168 0.000 2.092 676 D HA -0.136 4.504 4.640 -0.001 0.000 0.193 676 D C 1.938 178.329 176.300 0.153 0.000 0.994 676 D CA 1.399 55.503 54.000 0.174 0.000 0.828 676 D CB -0.164 40.728 40.800 0.154 0.000 0.963 676 D HN 0.257 nan 8.370 nan 0.000 0.450 677 G N 0.363 109.254 108.800 0.153 0.000 2.459 677 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.217 677 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.217 677 G C 1.569 176.589 174.900 0.201 0.000 1.183 677 G CA 0.951 46.140 45.100 0.148 0.000 0.776 677 G HN 0.316 nan 8.290 nan 0.000 0.552 678 Y N 1.087 121.476 120.300 0.149 0.000 2.181 678 Y HA -0.036 4.514 4.550 -0.000 0.000 0.288 678 Y C 2.576 178.548 175.900 0.120 0.000 1.146 678 Y CA 1.460 59.674 58.100 0.190 0.000 1.164 678 Y CB -0.232 38.309 38.460 0.135 0.000 0.982 678 Y HN 0.106 nan 8.280 nan 0.000 0.515 679 L N 0.040 121.381 121.223 0.196 0.000 2.191 679 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 679 L C 2.452 179.306 176.870 -0.027 0.000 1.103 679 L CA 1.391 56.286 54.840 0.092 0.000 0.769 679 L CB -0.521 41.676 42.059 0.230 0.000 0.908 679 L HN 0.377 nan 8.230 nan 0.000 0.438 680 Q N -0.265 119.481 119.800 -0.090 0.000 2.119 680 Q HA -0.148 4.191 4.340 -0.001 0.000 0.201 680 Q C 2.364 178.230 176.000 -0.224 0.000 0.972 680 Q CA 1.123 56.750 55.803 -0.292 0.000 0.847 680 Q CB -0.005 28.541 28.738 -0.320 0.000 0.903 680 Q HN 0.536 nan 8.270 nan 0.000 0.433 681 L N -0.243 120.888 121.223 -0.152 0.000 2.093 681 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 681 L C 2.319 179.027 176.870 -0.269 0.000 1.085 681 L CA 0.658 55.409 54.840 -0.148 0.000 0.755 681 L CB -0.457 41.579 42.059 -0.039 0.000 0.904 681 L HN 0.084 nan 8.230 nan 0.000 0.435 682 V N 0.400 120.112 119.914 -0.336 0.000 2.343 682 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 682 V C 2.650 178.605 176.094 -0.232 0.000 1.051 682 V CA 2.005 64.103 62.300 -0.337 0.000 1.036 682 V CB -1.189 30.427 31.823 -0.344 0.000 0.654 682 V HN 0.566 nan 8.190 nan 0.000 0.451 683 G N -0.164 108.537 108.800 -0.165 0.000 2.418 683 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 683 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 683 G C 1.569 176.366 174.900 -0.171 0.000 1.158 683 G CA 1.025 46.055 45.100 -0.117 0.000 0.771 683 G HN 0.502 nan 8.290 nan 0.000 0.545 684 I N 0.247 120.703 120.570 -0.190 0.000 2.315 684 I HA -0.121 4.049 4.170 -0.001 0.000 0.248 684 I C 2.878 178.889 176.117 -0.177 0.000 1.117 684 I CA 0.827 62.038 61.300 -0.150 0.000 1.404 684 I CB -0.141 37.824 38.000 -0.059 0.000 1.071 684 I HN 0.177 nan 8.210 nan 0.000 0.419 685 M N -0.312 119.088 119.600 -0.334 0.000 2.132 685 M HA -0.229 4.251 4.480 -0.001 0.000 0.263 685 M C 2.285 178.430 176.300 -0.258 0.000 1.065 685 M CA 1.574 56.539 55.300 -0.558 0.000 1.122 685 M CB -0.323 31.697 32.600 -0.966 0.000 1.365 685 M HN 0.092 nan 8.290 nan 0.000 0.411 686 Q N 1.015 120.695 119.800 -0.200 0.000 2.437 686 Q HA -0.145 4.195 4.340 -0.001 0.000 0.210 686 Q C 1.691 177.677 176.000 -0.024 0.000 0.972 686 Q CA 1.385 57.138 55.803 -0.083 0.000 0.903 686 Q CB -0.230 28.468 28.738 -0.067 0.000 0.967 686 Q HN 0.424 nan 8.270 nan 0.000 0.486 687 K N -1.092 119.181 120.400 -0.211 0.000 2.097 687 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 687 K C 0.803 177.160 176.600 -0.405 0.000 1.049 687 K CA 1.527 57.545 56.287 -0.448 0.000 0.933 687 K CB -0.104 31.856 32.500 -0.899 0.000 0.717 687 K HN 0.257 nan 8.250 nan 0.000 0.442 688 F N 0.588 120.528 119.950 -0.017 0.000 2.717 688 F HA 0.265 4.792 4.527 -0.001 0.000 0.295 688 F C 0.583 176.438 175.800 0.091 0.000 1.117 688 F CA -0.548 57.480 58.000 0.047 0.000 1.361 688 F CB 0.251 39.300 39.000 0.080 0.000 1.112 688 F HN -0.138 nan 8.300 nan 0.000 0.594 689 I N 1.540 122.230 120.570 0.200 0.000 2.529 689 I HA -0.030 4.140 4.170 -0.001 0.000 0.284 689 I C 1.002 177.152 176.117 0.056 0.000 1.082 689 I CA 0.114 61.495 61.300 0.135 0.000 1.406 689 I CB 0.511 38.549 38.000 0.063 0.000 1.405 689 I HN 0.130 nan 8.210 nan 0.000 0.548 690 D N 3.995 124.436 120.400 0.070 0.000 2.117 690 D HA -0.123 4.516 4.640 -0.001 0.000 0.198 690 D C 1.390 177.683 176.300 -0.011 0.000 0.982 690 D CA 1.491 55.504 54.000 0.020 0.000 0.828 690 D CB 0.511 41.358 40.800 0.079 0.000 0.967 690 D HN 0.607 nan 8.370 nan 0.000 0.464 691 Q N -0.202 119.610 119.800 0.019 0.000 3.074 691 Q HA 0.327 4.666 4.340 -0.001 0.000 0.231 691 Q C 0.471 176.471 176.000 0.000 0.000 1.167 691 Q CA -0.266 55.548 55.803 0.018 0.000 0.313 691 Q CB 0.402 29.154 28.738 0.023 0.000 5.795 691 Q HN -0.067 nan 8.270 nan 0.000 0.323 692 S N -1.143 114.550 115.700 -0.012 0.000 2.732 692 S HA 0.656 5.125 4.470 -0.001 0.000 0.293 692 S C -1.529 173.044 174.600 -0.045 0.000 1.159 692 S CA -0.687 57.501 58.200 -0.021 0.000 0.847 692 S CB 0.994 64.183 63.200 -0.020 0.000 1.169 692 S HN 0.317 nan 8.310 nan 0.000 0.501 693 I N 1.273 121.811 120.570 -0.053 0.000 2.646 693 I HA 0.366 4.536 4.170 -0.001 0.000 0.299 693 I C -0.107 175.969 176.117 -0.069 0.000 1.036 693 I CA -0.403 60.855 61.300 -0.069 0.000 1.074 693 I CB 2.329 40.275 38.000 -0.090 0.000 1.258 693 I HN 0.447 nan 8.210 nan 0.000 0.430 694 S N 4.581 120.230 115.700 -0.085 0.000 4.183 694 S HA 0.370 4.839 4.470 -0.001 0.000 0.195 694 S C 0.338 175.000 174.600 0.103 0.000 1.421 694 S CA -0.558 57.575 58.200 -0.112 0.000 0.920 694 S CB -0.421 62.650 63.200 -0.216 0.000 1.525 694 S HN 0.618 nan 8.310 nan 0.000 0.447 695 A N 2.933 125.840 122.820 0.146 0.000 2.440 695 A HA 0.316 4.635 4.320 -0.001 0.000 0.251 695 A C 0.497 178.285 177.584 0.339 0.000 1.089 695 A CA -0.324 51.884 52.037 0.286 0.000 0.779 695 A CB 0.255 19.393 19.000 0.230 0.000 1.022 695 A HN 0.676 nan 8.150 nan 0.000 0.492 696 N N -0.232 118.682 118.700 0.357 0.000 2.443 696 N HA 0.603 5.343 4.740 -0.001 0.000 0.293 696 N C -0.682 174.889 175.510 0.103 0.000 1.159 696 N CA -0.296 52.865 53.050 0.185 0.000 0.904 696 N CB 1.794 40.315 38.487 0.057 0.000 1.214 696 N HN 0.759 nan 8.380 nan 0.000 0.513 697 T N -1.087 113.524 114.554 0.095 0.000 2.824 697 T HA 0.450 4.800 4.350 -0.001 0.000 0.282 697 T C -0.891 173.767 174.700 -0.071 0.000 0.993 697 T CA -1.050 61.062 62.100 0.021 0.000 0.967 697 T CB 1.226 70.215 68.868 0.200 0.000 0.960 697 T HN 0.348 nan 8.240 nan 0.000 0.441 698 N N 2.044 120.561 118.700 -0.304 0.000 2.284 698 N HA 0.434 5.174 4.740 -0.001 0.000 0.300 698 N C -1.703 173.646 175.510 -0.268 0.000 1.047 698 N CA -0.537 52.409 53.050 -0.174 0.000 0.821 698 N CB 2.213 40.497 38.487 -0.338 0.000 1.337 698 N HN 0.624 nan 8.380 nan 0.000 0.482 699 Y N -0.339 120.206 120.300 0.408 0.000 2.457 699 Y HA 0.228 4.778 4.550 -0.001 0.000 0.343 699 Y C -0.541 175.532 175.900 0.289 0.000 0.994 699 Y CA -0.957 57.353 58.100 0.350 0.000 1.031 699 Y CB 1.984 40.538 38.460 0.158 0.000 1.246 699 Y HN 0.374 nan 8.280 nan 0.000 0.449 700 D N 4.371 125.033 120.400 0.436 0.000 2.440 700 D HA 0.360 5.000 4.640 -0.001 0.000 0.239 700 D C -2.177 174.301 176.300 0.296 0.000 1.084 700 D CA -2.660 51.407 54.000 0.111 0.000 0.843 700 D CB 2.232 43.035 40.800 0.006 0.000 1.097 700 D HN 0.144 nan 8.370 nan 0.000 0.531 701 P HA -0.135 nan 4.420 nan 0.000 0.218 701 P C 1.158 178.586 177.300 0.213 0.000 1.148 701 P CA 1.011 64.229 63.100 0.196 0.000 0.822 701 P CB 0.117 31.844 31.700 0.045 0.000 0.784 702 S N -1.330 114.423 115.700 0.088 0.000 2.603 702 S HA 0.012 4.482 4.470 -0.001 0.000 0.229 702 S C 1.610 176.220 174.600 0.016 0.000 0.972 702 S CA 0.256 58.480 58.200 0.041 0.000 0.935 702 S CB -0.728 62.462 63.200 -0.016 0.000 0.769 702 S HN 0.100 nan 8.310 nan 0.000 0.536 703 R N -0.510 119.991 120.500 0.000 0.000 2.362 703 R HA 0.343 4.682 4.340 -0.001 0.000 0.227 703 R C -0.919 175.088 176.300 -0.489 0.000 0.905 703 R CA 0.087 56.038 56.100 -0.249 0.000 1.067 703 R CB 0.240 30.323 30.300 -0.362 0.000 1.078 703 R HN 0.427 nan 8.270 nan 0.000 0.516 704 F N 1.035 121.009 119.950 0.040 0.000 2.546 704 F HA 0.384 4.910 4.527 -0.000 0.000 0.320 704 F C -2.003 173.811 175.800 0.023 0.000 1.076 704 F CA -3.304 54.719 58.000 0.039 0.000 0.928 704 F CB 1.015 40.041 39.000 0.043 0.000 1.189 704 F HN -0.239 nan 8.300 nan 0.000 0.465 705 P HA 0.050 nan 4.420 nan 0.000 0.260 705 P C 0.132 177.494 177.300 0.104 0.000 1.185 705 P CA 0.670 63.839 63.100 0.114 0.000 0.763 705 P CB 0.719 32.475 31.700 0.095 0.000 0.776 706 S N 2.059 117.801 115.700 0.071 0.000 3.228 706 S HA -0.141 4.329 4.470 -0.001 0.000 0.282 706 S C 1.111 175.743 174.600 0.052 0.000 1.286 706 S CA 1.140 59.370 58.200 0.051 0.000 1.066 706 S CB -2.036 61.187 63.200 0.040 0.000 1.277 706 S HN 1.106 nan 8.310 nan 0.000 0.661 707 G N 1.154 110.003 108.800 0.081 0.000 2.246 707 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.273 707 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.273 707 G C -0.406 174.524 174.900 0.051 0.000 1.055 707 G CA 0.820 45.966 45.100 0.077 0.000 0.851 707 G HN 1.064 nan 8.290 nan 0.000 0.500 708 K N -0.808 119.622 120.400 0.050 0.000 2.541 708 K HA 0.656 4.976 4.320 -0.001 0.000 0.250 708 K C -0.239 176.260 176.600 -0.168 0.000 0.950 708 K CA -1.247 55.015 56.287 -0.043 0.000 0.805 708 K CB 2.782 35.263 32.500 -0.032 0.000 1.166 708 K HN 0.078 nan 8.250 nan 0.000 0.430 709 V N 3.692 123.403 119.914 -0.339 0.000 2.485 709 V HA 0.104 4.224 4.120 -0.001 0.000 0.287 709 V C -1.716 174.123 176.094 -0.424 0.000 1.022 709 V CA -1.123 60.768 62.300 -0.683 0.000 1.067 709 V CB -0.332 31.098 31.823 -0.654 0.000 0.967 709 V HN 0.761 nan 8.190 nan 0.000 0.479 710 P HA 0.166 nan 4.420 nan 0.000 0.276 710 P C 0.533 177.733 177.300 -0.167 0.000 1.230 710 P CA -0.525 62.472 63.100 -0.172 0.000 0.776 710 P CB 0.807 32.476 31.700 -0.051 0.000 0.888 711 M N 2.836 122.375 119.600 -0.101 0.000 2.149 711 M HA -0.215 4.264 4.480 -0.001 0.000 0.261 711 M C 2.021 178.300 176.300 -0.035 0.000 1.064 711 M CA 1.908 57.166 55.300 -0.070 0.000 1.102 711 M CB -0.913 31.669 32.600 -0.030 0.000 1.369 711 M HN 0.345 nan 8.290 nan 0.000 0.408 712 Q N -0.163 119.629 119.800 -0.013 0.000 2.077 712 Q HA -0.270 4.070 4.340 -0.001 0.000 0.206 712 Q C 2.134 178.157 176.000 0.038 0.000 0.989 712 Q CA 2.388 58.202 55.803 0.018 0.000 0.853 712 Q CB -0.399 28.358 28.738 0.033 0.000 0.907 712 Q HN 0.641 nan 8.270 nan 0.000 0.418 713 Q N -0.397 119.424 119.800 0.035 0.000 2.119 713 Q HA -0.057 4.282 4.340 -0.001 0.000 0.201 713 Q C 1.864 177.914 176.000 0.083 0.000 0.972 713 Q CA 1.467 57.329 55.803 0.099 0.000 0.847 713 Q CB -0.209 28.616 28.738 0.145 0.000 0.903 713 Q HN 0.546 nan 8.270 nan 0.000 0.433 714 L N -0.615 120.571 121.223 -0.061 0.000 2.046 714 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 714 L C 2.193 179.116 176.870 0.088 0.000 1.077 714 L CA 0.959 55.767 54.840 -0.052 0.000 0.747 714 L CB -0.445 41.520 42.059 -0.158 0.000 0.896 714 L HN 0.243 nan 8.230 nan 0.000 0.432 715 L N -0.230 121.035 121.223 0.071 0.000 2.217 715 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 715 L C 2.598 179.518 176.870 0.084 0.000 1.107 715 L CA 0.779 55.671 54.840 0.086 0.000 0.783 715 L CB -0.395 41.686 42.059 0.036 0.000 0.919 715 L HN 0.221 nan 8.230 nan 0.000 0.442 716 K N 0.534 120.988 120.400 0.091 0.000 2.057 716 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 716 K C 1.565 178.243 176.600 0.131 0.000 1.050 716 K CA 1.644 57.988 56.287 0.094 0.000 0.935 716 K CB -0.039 32.522 32.500 0.103 0.000 0.715 716 K HN 0.097 nan 8.250 nan 0.000 0.439 717 D N 0.393 120.909 120.400 0.193 0.000 2.178 717 D HA -0.125 4.515 4.640 -0.001 0.000 0.202 717 D C 1.770 178.199 176.300 0.215 0.000 0.974 717 D CA 0.712 54.852 54.000 0.233 0.000 0.841 717 D CB -0.172 40.828 40.800 0.335 0.000 0.953 717 D HN 0.165 nan 8.370 nan 0.000 0.478 718 L N 0.517 121.866 121.223 0.210 0.000 2.012 718 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 718 L C 2.097 179.041 176.870 0.122 0.000 1.073 718 L CA 1.488 56.459 54.840 0.219 0.000 0.748 718 L CB -0.476 41.748 42.059 0.275 0.000 0.891 718 L HN 0.019 nan 8.230 nan 0.000 0.431 719 L N -1.778 119.471 121.223 0.043 0.000 2.093 719 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 719 L C 2.319 179.170 176.870 -0.032 0.000 1.085 719 L CA 1.449 56.242 54.840 -0.078 0.000 0.755 719 L CB -1.143 40.863 42.059 -0.088 0.000 0.904 719 L HN 0.224 nan 8.230 nan 0.000 0.435 720 T N 0.229 114.800 114.554 0.028 0.000 2.684 720 T HA -0.222 4.128 4.350 -0.001 0.000 0.267 720 T C 2.090 176.833 174.700 0.073 0.000 1.036 720 T CA 1.468 63.583 62.100 0.024 0.000 1.148 720 T CB -0.306 68.659 68.868 0.161 0.000 0.863 720 T HN 0.451 nan 8.240 nan 0.000 0.436 721 A N 0.680 123.595 122.820 0.158 0.000 1.873 721 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 721 A C 2.092 179.760 177.584 0.139 0.000 1.193 721 A CA 2.027 54.176 52.037 0.188 0.000 0.629 721 A CB -1.275 17.852 19.000 0.212 0.000 0.826 721 A HN 0.602 nan 8.150 nan 0.000 0.447 722 Y N 0.470 120.749 120.300 -0.035 0.000 2.165 722 Y HA -0.257 4.292 4.550 -0.001 0.000 0.286 722 Y C 2.444 178.335 175.900 -0.016 0.000 1.155 722 Y CA 2.491 60.555 58.100 -0.060 0.000 1.164 722 Y CB -0.195 38.007 38.460 -0.430 0.000 0.978 722 Y HN 0.335 nan 8.280 nan 0.000 0.513 723 K N -0.716 119.627 120.400 -0.096 0.000 2.103 723 K HA -0.179 4.141 4.320 -0.001 0.000 0.207 723 K C 0.867 177.198 176.600 -0.448 0.000 1.048 723 K CA 1.525 57.612 56.287 -0.333 0.000 0.930 723 K CB -0.361 31.793 32.500 -0.577 0.000 0.716 723 K HN 0.309 nan 8.250 nan 0.000 0.444 724 F N 0.175 120.083 119.950 -0.071 0.000 2.664 724 F HA 0.263 4.789 4.527 -0.001 0.000 0.301 724 F C 1.254 176.936 175.800 -0.196 0.000 1.126 724 F CA 0.278 58.212 58.000 -0.109 0.000 1.373 724 F CB 0.464 39.429 39.000 -0.059 0.000 1.042 724 F HN 0.248 nan 8.300 nan 0.000 0.535 725 G N 0.176 108.851 108.800 -0.207 0.000 2.143 725 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.248 725 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.248 725 G C 0.150 174.940 174.900 -0.183 0.000 0.991 725 G CA 0.089 44.908 45.100 -0.468 0.000 0.689 725 G HN 0.145 nan 8.290 nan 0.000 0.522 726 V N 0.846 120.767 119.914 0.012 0.000 2.493 726 V HA 0.099 4.219 4.120 -0.001 0.000 0.292 726 V C 1.756 177.952 176.094 0.170 0.000 1.016 726 V CA 1.207 63.557 62.300 0.083 0.000 1.097 726 V CB 1.146 33.040 31.823 0.119 0.000 0.947 726 V HN 0.461 nan 8.190 nan 0.000 0.479 727 K N 2.499 122.979 120.400 0.132 0.000 2.076 727 K HA 0.027 4.347 4.320 -0.001 0.000 0.204 727 K C 0.833 177.526 176.600 0.155 0.000 1.051 727 K CA 1.302 57.685 56.287 0.161 0.000 0.949 727 K CB 0.092 32.657 32.500 0.109 0.000 0.726 727 K HN 0.870 nan 8.250 nan 0.000 0.443 728 T N -1.733 112.900 114.554 0.133 0.000 2.887 728 T HA 0.639 4.988 4.350 -0.001 0.000 0.292 728 T C -0.753 174.052 174.700 0.174 0.000 1.087 728 T CA -0.994 61.197 62.100 0.152 0.000 1.009 728 T CB 1.678 70.606 68.868 0.100 0.000 1.203 728 T HN -0.081 nan 8.240 nan 0.000 0.518 729 L N 1.478 122.833 121.223 0.219 0.000 2.438 729 L HA 0.595 4.934 4.340 -0.001 0.000 0.270 729 L C -0.815 176.237 176.870 0.305 0.000 0.972 729 L CA -0.909 54.086 54.840 0.259 0.000 0.831 729 L CB 1.959 44.191 42.059 0.289 0.000 1.273 729 L HN 0.626 nan 8.230 nan 0.000 0.405 730 F N 2.242 122.206 119.950 0.024 0.000 2.415 730 F HA 0.441 4.968 4.527 0.000 0.000 0.220 730 F C 0.373 176.282 175.800 0.182 0.000 0.876 730 F CA -0.780 57.109 58.000 -0.185 0.000 1.067 730 F CB 0.208 38.979 39.000 -0.381 0.000 2.152 730 F HN 0.159 nan 8.300 nan 0.000 0.651 731 Y N 1.611 121.710 120.300 -0.336 0.000 3.073 731 Y HA -0.017 4.533 4.550 0.000 0.000 0.344 731 Y C 0.647 176.581 175.900 0.057 0.000 1.277 731 Y CA 0.326 58.322 58.100 -0.173 0.000 1.534 731 Y CB -0.477 37.789 38.460 -0.324 0.000 1.273 731 Y HN 0.274 nan 8.280 nan 0.000 0.633 732 Q N 3.401 123.362 119.800 0.268 0.000 2.348 732 Q HA 0.288 4.627 4.340 -0.001 0.000 0.265 732 Q C -1.280 174.828 176.000 0.181 0.000 0.998 732 Q CA -0.825 55.119 55.803 0.235 0.000 0.831 732 Q CB 0.615 29.503 28.738 0.249 0.000 1.251 732 Q HN 0.641 nan 8.270 nan 0.000 0.456 733 N N 2.859 121.669 118.700 0.183 0.000 2.426 733 N HA 0.301 5.041 4.740 -0.001 0.000 0.275 733 N C -1.119 174.599 175.510 0.346 0.000 1.019 733 N CA -0.144 53.026 53.050 0.200 0.000 0.941 733 N CB 1.872 40.457 38.487 0.163 0.000 1.123 733 N HN 0.444 nan 8.380 nan 0.000 0.486 734 T N 1.157 115.865 114.554 0.257 0.000 2.823 734 T HA 0.303 4.652 4.350 -0.001 0.000 0.279 734 T C 0.573 175.309 174.700 0.060 0.000 0.998 734 T CA -0.647 61.571 62.100 0.197 0.000 0.994 734 T CB 1.865 70.793 68.868 0.101 0.000 0.960 734 T HN 0.317 nan 8.240 nan 0.000 0.448 735 R N 1.533 121.896 120.500 -0.228 0.000 2.643 735 R HA 0.139 4.478 4.340 -0.001 0.000 0.270 735 R C -0.071 176.081 176.300 -0.246 0.000 1.061 735 R CA -0.193 55.605 56.100 -0.503 0.000 1.107 735 R CB 0.311 29.950 30.300 -1.102 0.000 0.999 735 R HN 0.651 nan 8.270 nan 0.000 0.460 736 D N 2.778 123.061 120.400 -0.194 0.000 2.973 736 D HA 0.307 4.947 4.640 -0.001 0.000 0.263 736 D C -0.591 175.634 176.300 -0.125 0.000 1.266 736 D CA -0.153 53.781 54.000 -0.110 0.000 0.975 736 D CB 0.422 41.190 40.800 -0.053 0.000 1.032 736 D HN 0.605 nan 8.370 nan 0.000 0.510 737 G N 0.000 108.707 108.800 -0.155 0.000 5.446 737 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 737 G CA 0.000 45.021 45.100 -0.132 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925