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 2akw_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRARGFGLR GLDTP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.041 0.000 1.140 1 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 1 M CB 0.000 32.569 32.600 -0.052 0.000 1.302 2 R N 2.704 123.178 120.500 -0.042 0.000 2.254 2 R HA 0.617 4.961 4.340 0.007 0.000 0.318 2 R C -1.133 175.122 176.300 -0.074 0.000 1.031 2 R CA -0.661 55.422 56.100 -0.027 0.000 0.905 2 R CB 1.476 31.788 30.300 0.019 0.000 1.050 2 R HN 0.451 nan 8.270 nan 0.000 0.456 3 V N 5.573 125.452 119.914 -0.059 0.000 2.304 3 V HA 0.235 4.359 4.120 0.007 0.000 0.278 3 V C -2.260 173.833 176.094 -0.001 0.000 1.018 3 V CA -2.151 60.094 62.300 -0.093 0.000 0.814 3 V CB 1.488 33.246 31.823 -0.108 0.000 1.021 3 V HN 0.613 nan 8.190 nan 0.000 0.440 4 P HA 0.186 nan 4.420 nan 0.000 0.281 4 P C 0.604 178.006 177.300 0.170 0.000 1.286 4 P CA -0.192 63.007 63.100 0.164 0.000 0.772 4 P CB 0.500 32.389 31.700 0.315 0.000 0.862 5 F N 4.122 124.097 119.950 0.041 0.000 2.063 5 F HA -0.326 4.206 4.527 0.007 0.000 0.298 5 F C 2.213 178.046 175.800 0.054 0.000 1.109 5 F CA 2.793 60.808 58.000 0.025 0.000 1.212 5 F CB -0.698 38.308 39.000 0.009 0.000 0.973 5 F HN 0.285 nan 8.300 nan 0.000 0.480 6 S N -0.442 115.316 115.700 0.097 0.000 2.423 6 S HA -0.238 4.236 4.470 0.007 0.000 0.231 6 S C 1.978 176.579 174.600 0.003 0.000 1.014 6 S CA 0.882 59.078 58.200 -0.006 0.000 0.965 6 S CB -1.333 61.929 63.200 0.103 0.000 0.785 6 S HN 0.677 nan 8.310 nan 0.000 0.495 7 W N 2.222 123.449 121.300 -0.121 0.000 2.408 7 W HA 0.114 4.778 4.660 0.007 0.000 0.311 7 W C 1.935 178.302 176.519 -0.252 0.000 1.190 7 W CA 0.551 57.817 57.345 -0.132 0.000 1.321 7 W CB -1.060 28.387 29.460 -0.022 0.000 1.143 7 W HN 0.391 nan 8.180 nan 0.000 0.501 8 L N 2.200 123.431 121.223 0.014 0.000 2.042 8 L HA -0.180 4.164 4.340 0.007 0.000 0.210 8 L C 2.464 179.225 176.870 -0.182 0.000 1.076 8 L CA 2.503 57.295 54.840 -0.081 0.000 0.749 8 L CB -1.199 40.749 42.059 -0.185 0.000 0.893 8 L HN -0.037 nan 8.230 nan 0.000 0.432 9 K N -0.885 119.303 120.400 -0.354 0.000 2.360 9 K HA -0.136 4.189 4.320 0.007 0.000 0.201 9 K C 1.837 178.284 176.600 -0.255 0.000 1.046 9 K CA 0.962 57.020 56.287 -0.382 0.000 0.940 9 K CB -0.116 32.069 32.500 -0.524 0.000 0.748 9 K HN 0.505 nan 8.250 nan 0.000 0.465 10 A N -0.163 122.474 122.820 -0.304 0.000 2.014 10 A HA -0.091 4.233 4.320 0.007 0.000 0.218 10 A C 1.266 178.630 177.584 -0.366 0.000 1.163 10 A CA 0.906 52.716 52.037 -0.379 0.000 0.652 10 A CB -0.330 18.363 19.000 -0.512 0.000 0.808 10 A HN 0.378 nan 8.150 nan 0.000 0.449 11 Y N -1.371 118.898 120.300 -0.053 0.000 2.503 11 Y HA 0.244 4.798 4.550 0.007 0.000 0.277 11 Y C 0.661 176.509 175.900 -0.087 0.000 1.102 11 Y CA 0.049 58.108 58.100 -0.069 0.000 1.261 11 Y CB 0.334 38.743 38.460 -0.085 0.000 1.096 11 Y HN -0.012 nan 8.280 nan 0.000 0.546 12 V N 3.379 123.295 119.914 0.004 0.000 2.271 12 V HA 0.172 4.296 4.120 0.007 0.000 0.259 12 V C -1.640 174.401 176.094 -0.090 0.000 1.030 12 V CA -1.424 60.843 62.300 -0.055 0.000 0.957 12 V CB 0.714 32.433 31.823 -0.173 0.000 1.186 12 V HN 0.035 nan 8.190 nan 0.000 0.471 13 P HA -0.220 nan 4.420 nan 0.000 0.217 13 P C 0.867 178.177 177.300 0.016 0.000 1.151 13 P CA 1.495 64.574 63.100 -0.035 0.000 0.849 13 P CB 0.507 32.198 31.700 -0.015 0.000 0.787 14 E N -0.545 119.715 120.200 0.099 0.000 2.463 14 E HA 0.104 4.458 4.350 0.007 0.000 0.191 14 E C 0.518 177.273 176.600 0.259 0.000 1.083 14 E CA -0.375 56.133 56.400 0.181 0.000 0.872 14 E CB -0.431 29.408 29.700 0.233 0.000 0.966 14 E HN 0.329 nan 8.360 nan 0.000 0.491 15 L N 1.796 123.089 121.223 0.116 0.000 2.559 15 L HA -0.070 4.274 4.340 0.007 0.000 0.274 15 L C 1.254 178.295 176.870 0.284 0.000 1.205 15 L CA 0.014 54.929 54.840 0.126 0.000 0.907 15 L CB 0.522 42.525 42.059 -0.093 0.000 1.153 15 L HN 0.084 nan 8.230 nan 0.000 0.490 16 E N 1.327 121.706 120.200 0.298 0.000 2.072 16 E HA -0.080 4.274 4.350 0.007 0.000 0.191 16 E C 0.175 176.885 176.600 0.183 0.000 0.985 16 E CA 1.122 57.652 56.400 0.218 0.000 0.801 16 E CB 0.176 29.976 29.700 0.167 0.000 0.750 16 E HN 0.764 nan 8.360 nan 0.000 0.452 17 S N -3.100 112.706 115.700 0.177 0.000 2.688 17 S HA 0.125 4.599 4.470 0.007 0.000 0.269 17 S C -2.545 171.820 174.600 -0.393 0.000 1.060 17 S CA -0.990 57.099 58.200 -0.186 0.000 0.844 17 S CB 1.015 64.132 63.200 -0.138 0.000 1.095 17 S HN -0.188 nan 8.310 nan 0.000 0.466 18 P HA -0.020 nan 4.420 nan 0.000 0.220 18 P C 0.846 178.056 177.300 -0.150 0.000 1.148 18 P CA 1.389 64.185 63.100 -0.506 0.000 0.803 18 P CB 0.006 31.374 31.700 -0.554 0.000 0.782 19 E N 0.057 120.173 120.200 -0.141 0.000 2.047 19 E HA -0.086 4.268 4.350 0.007 0.000 0.191 19 E C 2.188 178.784 176.600 -0.006 0.000 0.987 19 E CA 0.821 57.187 56.400 -0.057 0.000 0.799 19 E CB -1.385 28.283 29.700 -0.054 0.000 0.752 19 E HN 0.004 nan 8.360 nan 0.000 0.449 20 V N 0.982 120.904 119.914 0.013 0.000 2.515 20 V HA -0.192 3.933 4.120 0.007 0.000 0.250 20 V C 2.159 178.308 176.094 0.091 0.000 1.058 20 V CA 1.281 63.618 62.300 0.063 0.000 1.064 20 V CB -0.374 31.506 31.823 0.095 0.000 0.675 20 V HN 0.209 nan 8.190 nan 0.000 0.461 21 L N 0.710 121.994 121.223 0.103 0.000 2.027 21 L HA -0.167 4.177 4.340 0.007 0.000 0.206 21 L C 2.487 179.399 176.870 0.070 0.000 1.074 21 L CA 2.477 57.383 54.840 0.110 0.000 0.745 21 L CB -0.761 41.424 42.059 0.209 0.000 0.898 21 L HN 0.498 nan 8.230 nan 0.000 0.433 22 E N -0.562 119.670 120.200 0.053 0.000 2.130 22 E HA -0.329 4.025 4.350 0.007 0.000 0.196 22 E C 2.082 178.709 176.600 0.045 0.000 0.998 22 E CA 1.730 58.155 56.400 0.040 0.000 0.806 22 E CB -0.244 29.468 29.700 0.021 0.000 0.738 22 E HN 0.716 nan 8.360 nan 0.000 0.459 23 E N 0.052 120.279 120.200 0.045 0.000 2.051 23 E HA -0.193 4.161 4.350 0.007 0.000 0.192 23 E C 2.314 178.948 176.600 0.056 0.000 0.991 23 E CA 0.947 57.374 56.400 0.045 0.000 0.799 23 E CB 0.079 29.806 29.700 0.046 0.000 0.748 23 E HN 0.201 nan 8.360 nan 0.000 0.449 24 R N 0.137 120.683 120.500 0.076 0.000 2.096 24 R HA -0.117 4.227 4.340 0.007 0.000 0.235 24 R C 2.513 178.865 176.300 0.086 0.000 1.127 24 R CA 0.928 57.083 56.100 0.092 0.000 0.968 24 R CB -0.385 29.991 30.300 0.127 0.000 0.861 24 R HN 0.328 nan 8.270 nan 0.000 0.440 25 L N 0.096 121.372 121.223 0.088 0.000 2.156 25 L HA -0.052 4.292 4.340 0.007 0.000 0.208 25 L C 2.700 179.659 176.870 0.149 0.000 1.095 25 L CA 0.851 55.784 54.840 0.155 0.000 0.770 25 L CB -0.654 41.475 42.059 0.115 0.000 0.914 25 L HN 0.157 nan 8.230 nan 0.000 0.439 26 A N 0.807 123.670 122.820 0.072 0.000 1.883 26 A HA -0.153 4.171 4.320 0.007 0.000 0.217 26 A C 2.382 179.939 177.584 -0.046 0.000 1.186 26 A CA 1.874 53.923 52.037 0.019 0.000 0.624 26 A CB -1.280 17.727 19.000 0.013 0.000 0.822 26 A HN 0.421 nan 8.150 nan 0.000 0.444 27 G N -0.829 107.950 108.800 -0.036 0.000 2.471 27 G HA2 -0.025 3.940 3.960 0.007 0.000 0.219 27 G HA3 -0.025 3.940 3.960 0.007 0.000 0.219 27 G C 1.375 176.184 174.900 -0.152 0.000 1.125 27 G CA 0.813 45.855 45.100 -0.097 0.000 0.775 27 G HN 0.436 nan 8.290 nan 0.000 0.548 28 L N -0.374 120.811 121.223 -0.063 0.000 2.509 28 L HA 0.265 4.609 4.340 0.007 0.000 0.222 28 L C 1.939 178.627 176.870 -0.303 0.000 1.123 28 L CA 0.632 55.438 54.840 -0.058 0.000 0.856 28 L CB 0.255 42.424 42.059 0.182 0.000 0.985 28 L HN 0.378 nan 8.230 nan 0.000 0.456 29 G N -0.564 108.012 108.800 -0.373 0.000 2.159 29 G HA2 -0.219 3.745 3.960 0.007 0.000 0.170 29 G HA3 -0.219 3.745 3.960 0.007 0.000 0.170 29 G C -0.204 174.262 174.900 -0.723 0.000 1.007 29 G CA -0.720 44.029 45.100 -0.586 0.000 0.672 29 G HN 0.116 nan 8.290 nan 0.000 0.507 30 F N 1.331 121.245 119.950 -0.060 0.000 2.445 30 F HA 0.596 5.127 4.527 0.007 0.000 0.348 30 F C 0.267 176.047 175.800 -0.033 0.000 1.125 30 F CA -1.142 56.834 58.000 -0.041 0.000 0.983 30 F CB 1.831 40.806 39.000 -0.042 0.000 1.198 30 F HN 0.117 nan 8.300 nan 0.000 0.436 31 E N 1.888 122.160 120.200 0.119 0.000 2.227 31 E HA 0.305 4.659 4.350 0.007 0.000 0.282 31 E C -0.399 176.243 176.600 0.070 0.000 1.015 31 E CA -0.508 55.933 56.400 0.069 0.000 0.823 31 E CB 1.167 30.886 29.700 0.032 0.000 1.081 31 E HN 0.610 nan 8.360 nan 0.000 0.396 32 T N 1.990 116.575 114.554 0.051 0.000 2.767 32 T HA 0.178 4.532 4.350 0.007 0.000 0.288 32 T C 0.187 174.902 174.700 0.026 0.000 0.963 32 T CA -0.767 61.355 62.100 0.036 0.000 1.019 32 T CB 0.953 69.838 68.868 0.028 0.000 0.923 32 T HN 0.399 nan 8.240 nan 0.000 0.468 33 D N 3.054 123.468 120.400 0.023 0.000 2.340 33 D HA 0.139 4.783 4.640 0.007 0.000 0.220 33 D C 0.771 177.078 176.300 0.012 0.000 1.039 33 D CA 0.218 54.228 54.000 0.017 0.000 0.866 33 D CB 0.323 41.134 40.800 0.018 0.000 0.913 33 D HN 0.647 nan 8.370 nan 0.000 0.523 34 R N 0.042 120.547 120.500 0.010 0.000 3.197 34 R HA 0.299 4.643 4.340 0.007 0.000 0.261 34 R C -2.177 174.123 176.300 -0.000 0.000 1.015 34 R CA -0.449 55.653 56.100 0.004 0.000 0.949 34 R CB 0.747 31.049 30.300 0.004 0.000 1.256 34 R HN -0.155 nan 8.270 nan 0.000 0.514 35 I N 2.767 123.333 120.570 -0.007 0.000 2.447 35 I HA 0.395 4.569 4.170 0.007 0.000 0.287 35 I C -0.727 175.376 176.117 -0.023 0.000 1.023 35 I CA -0.655 60.636 61.300 -0.016 0.000 1.083 35 I CB 2.157 40.142 38.000 -0.025 0.000 1.245 35 I HN 0.553 nan 8.210 nan 0.000 0.434 36 E N 5.032 125.214 120.200 -0.029 0.000 2.248 36 E HA 0.456 4.810 4.350 0.007 0.000 0.267 36 E C -0.936 175.627 176.600 -0.062 0.000 0.877 36 E CA -1.013 55.364 56.400 -0.040 0.000 0.759 36 E CB 3.220 32.899 29.700 -0.035 0.000 1.182 36 E HN 0.398 nan 8.360 nan 0.000 0.418 37 R N 1.690 122.154 120.500 -0.061 0.000 2.297 37 R HA 0.212 4.556 4.340 0.007 0.000 0.308 37 R C 0.590 176.827 176.300 -0.105 0.000 1.029 37 R CA -0.019 56.038 56.100 -0.071 0.000 0.929 37 R CB 0.699 30.974 30.300 -0.041 0.000 1.046 37 R HN 0.453 nan 8.270 nan 0.000 0.461 38 V N 1.203 120.994 119.914 -0.205 0.000 3.539 38 V HA 0.371 4.495 4.120 0.007 0.000 0.262 38 V C -0.142 175.814 176.094 -0.231 0.000 1.381 38 V CA 0.022 62.128 62.300 -0.324 0.000 1.060 38 V CB 0.284 31.734 31.823 -0.621 0.000 0.842 38 V HN 0.479 nan 8.190 nan 0.000 0.445 39 F N 4.267 124.301 119.950 0.141 0.000 2.438 39 F HA 0.586 5.117 4.527 0.007 0.000 0.315 39 F C -2.514 173.336 175.800 0.083 0.000 1.258 39 F CA -3.641 54.447 58.000 0.147 0.000 1.180 39 F CB 0.470 39.679 39.000 0.349 0.000 1.412 39 F HN 0.102 nan 8.300 nan 0.000 0.544 40 P HA 0.254 nan 4.420 nan 0.000 0.276 40 P C -0.321 177.016 177.300 0.062 0.000 1.253 40 P CA 0.265 63.431 63.100 0.109 0.000 0.766 40 P CB 1.512 33.250 31.700 0.064 0.000 0.845 41 I N 5.975 126.572 120.570 0.044 0.000 2.439 41 I HA 0.299 4.473 4.170 0.007 0.000 0.285 41 I C -2.145 173.971 176.117 -0.001 0.000 1.021 41 I CA -2.720 58.570 61.300 -0.016 0.000 1.091 41 I CB 2.029 39.990 38.000 -0.065 0.000 1.242 41 I HN 0.118 nan 8.210 nan 0.000 0.439 42 P HA 0.169 nan 4.420 nan 0.000 0.270 42 P C 0.545 177.842 177.300 -0.004 0.000 1.223 42 P CA -0.476 62.620 63.100 -0.008 0.000 0.785 42 P CB 0.800 32.488 31.700 -0.020 0.000 0.923 43 R N 1.034 121.537 120.500 0.004 0.000 2.152 43 R HA -0.083 4.261 4.340 0.007 0.000 0.232 43 R C 2.127 178.431 176.300 0.007 0.000 1.117 43 R CA 1.626 57.732 56.100 0.011 0.000 0.981 43 R CB -1.005 29.303 30.300 0.014 0.000 0.870 43 R HN 0.728 nan 8.270 nan 0.000 0.451 44 G N -0.006 108.789 108.800 -0.008 0.000 2.470 44 G HA2 -0.099 3.866 3.960 0.007 0.000 0.220 44 G HA3 -0.099 3.866 3.960 0.007 0.000 0.220 44 G C 0.328 175.217 174.900 -0.019 0.000 1.121 44 G CA 0.322 45.411 45.100 -0.018 0.000 0.766 44 G HN 0.125 nan 8.290 nan 0.000 0.553 45 V N 1.418 121.322 119.914 -0.018 0.000 2.432 45 V HA 0.443 4.567 4.120 0.007 0.000 0.271 45 V C 0.395 176.502 176.094 0.022 0.000 1.046 45 V CA -0.653 61.637 62.300 -0.017 0.000 0.945 45 V CB 0.901 32.696 31.823 -0.046 0.000 0.992 45 V HN 0.253 nan 8.190 nan 0.000 0.471 46 V N 2.856 122.797 119.914 0.044 0.000 3.126 46 V HA 0.695 4.819 4.120 0.007 0.000 0.314 46 V C -0.668 175.514 176.094 0.147 0.000 1.138 46 V CA -1.121 61.239 62.300 0.100 0.000 1.034 46 V CB 2.009 33.889 31.823 0.096 0.000 1.075 46 V HN 0.575 nan 8.190 nan 0.000 0.442 47 F N 2.070 122.060 119.950 0.068 0.000 2.412 47 F HA 0.796 5.327 4.527 0.007 0.000 0.348 47 F C 0.279 176.136 175.800 0.094 0.000 1.102 47 F CA 0.486 58.551 58.000 0.109 0.000 1.196 47 F CB 0.645 39.697 39.000 0.087 0.000 1.144 47 F HN 1.059 nan 8.300 nan 0.000 0.541 48 A N 6.306 128.645 122.820 -0.801 0.000 2.515 48 A HA 0.751 5.076 4.320 0.007 0.000 0.296 48 A C -1.271 175.898 177.584 -0.692 0.000 1.094 48 A CA -1.023 50.711 52.037 -0.505 0.000 0.718 48 A CB 1.532 20.400 19.000 -0.221 0.000 1.307 48 A HN 0.849 nan 8.150 nan 0.000 0.408 49 R N 0.781 121.115 120.500 -0.278 0.000 2.437 49 R HA 0.559 4.903 4.340 0.007 0.000 0.310 49 R C -1.548 174.699 176.300 -0.090 0.000 0.955 49 R CA -0.457 55.555 56.100 -0.147 0.000 0.851 49 R CB 1.613 31.928 30.300 0.025 0.000 1.161 49 R HN 0.492 nan 8.270 nan 0.000 0.446 50 V N 7.483 127.345 119.914 -0.087 0.000 2.352 50 V HA 0.028 4.152 4.120 0.007 0.000 0.253 50 V C 1.411 177.484 176.094 -0.036 0.000 1.083 50 V CA 0.155 62.417 62.300 -0.063 0.000 0.993 50 V CB 0.547 32.325 31.823 -0.074 0.000 1.111 50 V HN 0.850 nan 8.190 nan 0.000 0.490 51 L N 2.409 123.620 121.223 -0.021 0.000 2.109 51 L HA 0.109 4.453 4.340 0.007 0.000 0.207 51 L C 0.990 177.845 176.870 -0.024 0.000 1.086 51 L CA 1.147 55.982 54.840 -0.008 0.000 0.760 51 L CB 0.045 42.110 42.059 0.010 0.000 0.910 51 L HN 0.652 nan 8.230 nan 0.000 0.437 52 E N -1.215 118.963 120.200 -0.037 0.000 2.388 52 E HA 0.608 4.963 4.350 0.007 0.000 0.280 52 E C -1.753 174.756 176.600 -0.152 0.000 1.019 52 E CA -0.355 55.974 56.400 -0.117 0.000 0.806 52 E CB 1.654 31.278 29.700 -0.127 0.000 1.246 52 E HN 0.033 nan 8.360 nan 0.000 0.443 53 A N 2.848 125.508 122.820 -0.267 0.000 2.342 53 A HA 0.769 5.093 4.320 0.007 0.000 0.323 53 A C -1.421 175.947 177.584 -0.361 0.000 1.125 53 A CA -0.516 51.405 52.037 -0.193 0.000 0.785 53 A CB 0.637 19.566 19.000 -0.118 0.000 1.221 53 A HN 0.653 nan 8.150 nan 0.000 0.463 54 H N 2.607 121.668 119.070 -0.014 0.000 2.823 54 H HA 0.437 4.997 4.556 0.007 0.000 0.332 54 H C -2.679 172.642 175.328 -0.012 0.000 0.980 54 H CA -1.337 54.704 56.048 -0.012 0.000 1.286 54 H CB 2.074 31.830 29.762 -0.011 0.000 1.541 54 H HN 0.480 nan 8.280 nan 0.000 0.521 55 P HA 0.037 nan 4.420 nan 0.000 0.276 55 P C -0.213 177.117 177.300 0.050 0.000 1.230 55 P CA -0.275 62.854 63.100 0.048 0.000 0.776 55 P CB 1.211 32.926 31.700 0.025 0.000 0.888 56 I N 4.929 125.517 120.570 0.031 0.000 2.452 56 I HA 0.140 4.315 4.170 0.007 0.000 0.287 56 I C -1.996 174.128 176.117 0.013 0.000 1.079 56 I CA -2.762 58.549 61.300 0.019 0.000 1.387 56 I CB -0.331 37.675 38.000 0.011 0.000 1.404 56 I HN 0.119 nan 8.210 nan 0.000 0.522 57 P HA 0.127 nan 4.420 nan 0.000 0.261 57 P C 0.959 178.261 177.300 0.003 0.000 1.183 57 P CA 0.674 63.778 63.100 0.007 0.000 0.761 57 P CB 0.529 32.232 31.700 0.004 0.000 0.785 58 G N 1.822 110.623 108.800 0.003 0.000 2.225 58 G HA2 -0.222 3.743 3.960 0.007 0.000 0.254 58 G HA3 -0.222 3.743 3.960 0.007 0.000 0.254 58 G C 0.362 175.262 174.900 0.000 0.000 0.988 58 G CA 0.456 45.556 45.100 0.001 0.000 0.625 58 G HN 0.839 nan 8.290 nan 0.000 0.527 59 T N -2.398 112.156 114.554 0.001 0.000 2.927 59 T HA 0.685 5.040 4.350 0.007 0.000 0.286 59 T C 0.505 175.205 174.700 -0.000 0.000 1.040 59 T CA -0.020 62.080 62.100 -0.001 0.000 1.010 59 T CB 1.783 70.651 68.868 -0.001 0.000 1.177 59 T HN 0.762 nan 8.240 nan 0.000 0.546 60 R N 0.453 120.951 120.500 -0.003 0.000 2.696 60 R HA 0.546 4.891 4.340 0.007 0.000 0.355 60 R C -0.319 175.978 176.300 -0.006 0.000 1.138 60 R CA -0.372 55.726 56.100 -0.003 0.000 1.059 60 R CB -0.817 29.481 30.300 -0.005 0.000 1.380 60 R HN 0.522 nan 8.270 nan 0.000 0.578 61 L N -0.180 121.041 121.223 -0.003 0.000 2.313 61 L HA 0.603 4.947 4.340 0.007 0.000 0.268 61 L C -0.081 176.791 176.870 0.003 0.000 1.010 61 L CA -1.248 53.589 54.840 -0.005 0.000 0.814 61 L CB 1.918 43.974 42.059 -0.005 0.000 1.304 61 L HN 0.121 nan 8.230 nan 0.000 0.441 62 K N 0.684 121.086 120.400 0.003 0.000 2.426 62 K HA 0.442 4.766 4.320 0.007 0.000 0.251 62 K C -1.082 175.533 176.600 0.025 0.000 0.941 62 K CA -0.852 55.444 56.287 0.015 0.000 0.808 62 K CB 2.835 35.335 32.500 0.001 0.000 1.265 62 K HN 0.404 nan 8.250 nan 0.000 0.432 63 R N 4.029 124.564 120.500 0.058 0.000 2.198 63 R HA 0.301 4.645 4.340 0.007 0.000 0.339 63 R C -0.967 175.388 176.300 0.092 0.000 1.020 63 R CA -0.392 55.748 56.100 0.067 0.000 0.864 63 R CB 0.292 30.633 30.300 0.069 0.000 1.105 63 R HN 0.504 nan 8.270 nan 0.000 0.463 64 L N 5.092 126.344 121.223 0.049 0.000 2.289 64 L HA 0.386 4.730 4.340 0.007 0.000 0.285 64 L C -0.392 176.507 176.870 0.048 0.000 1.049 64 L CA -1.099 53.761 54.840 0.033 0.000 0.804 64 L CB 1.848 43.902 42.059 -0.008 0.000 1.195 64 L HN 0.376 nan 8.230 nan 0.000 0.428 65 V N 5.510 125.460 119.914 0.061 0.000 2.333 65 V HA 0.351 4.475 4.120 0.007 0.000 0.274 65 V C 0.207 176.311 176.094 0.015 0.000 1.028 65 V CA -0.300 62.032 62.300 0.052 0.000 0.851 65 V CB 1.257 33.135 31.823 0.092 0.000 1.000 65 V HN 0.500 nan 8.190 nan 0.000 0.456 66 L N 3.824 125.050 121.223 0.005 0.000 2.317 66 L HA 0.589 4.934 4.340 0.007 0.000 0.281 66 L C -0.227 176.640 176.870 -0.006 0.000 1.024 66 L CA -0.660 54.173 54.840 -0.013 0.000 0.810 66 L CB 1.850 43.896 42.059 -0.021 0.000 1.240 66 L HN 0.467 nan 8.230 nan 0.000 0.427 67 D N 2.724 123.119 120.400 -0.008 0.000 2.347 67 D HA 0.410 5.054 4.640 0.007 0.000 0.235 67 D C -0.071 176.242 176.300 0.021 0.000 1.149 67 D CA -0.146 53.862 54.000 0.015 0.000 0.850 67 D CB 1.762 42.581 40.800 0.033 0.000 1.061 67 D HN 0.622 nan 8.370 nan 0.000 0.487 68 A N 2.750 125.590 122.820 0.034 0.000 2.705 68 A HA 0.627 4.951 4.320 0.007 0.000 0.294 68 A C 1.159 178.785 177.584 0.070 0.000 1.039 68 A CA 0.313 52.383 52.037 0.056 0.000 1.005 68 A CB -0.026 19.009 19.000 0.058 0.000 1.192 68 A HN 0.805 nan 8.150 nan 0.000 0.513 69 G N 0.855 109.694 108.800 0.066 0.000 3.642 69 G HA2 -0.230 3.734 3.960 0.007 0.000 0.205 69 G HA3 -0.230 3.734 3.960 0.007 0.000 0.205 69 G C 0.424 175.342 174.900 0.031 0.000 1.526 69 G CA -0.035 45.098 45.100 0.055 0.000 1.097 69 G HN 1.026 nan 8.290 nan 0.000 0.596 70 R N 0.522 121.033 120.500 0.017 0.000 2.782 70 R HA 0.734 5.078 4.340 0.007 0.000 0.258 70 R C -0.843 175.446 176.300 -0.019 0.000 1.055 70 R CA -0.302 55.792 56.100 -0.011 0.000 1.065 70 R CB 0.732 31.011 30.300 -0.035 0.000 1.172 70 R HN 0.143 nan 8.270 nan 0.000 0.510 71 T N 1.454 115.986 114.554 -0.037 0.000 2.817 71 T HA 0.389 4.743 4.350 0.007 0.000 0.293 71 T C -0.088 174.569 174.700 -0.072 0.000 0.964 71 T CA -0.633 61.445 62.100 -0.036 0.000 1.085 71 T CB 1.023 69.874 68.868 -0.028 0.000 0.921 71 T HN 0.483 nan 8.240 nan 0.000 0.502 72 V N 0.932 120.819 119.914 -0.045 0.000 3.040 72 V HA 0.731 4.856 4.120 0.007 0.000 0.312 72 V C -0.763 175.332 176.094 0.003 0.000 1.115 72 V CA -1.150 61.115 62.300 -0.058 0.000 0.998 72 V CB 2.248 34.075 31.823 0.007 0.000 1.042 72 V HN 0.796 nan 8.190 nan 0.000 0.433 73 E N 0.772 120.984 120.200 0.020 0.000 2.221 73 E HA 0.836 5.190 4.350 0.007 0.000 0.268 73 E C -1.542 175.109 176.600 0.084 0.000 0.933 73 E CA -0.789 55.636 56.400 0.042 0.000 0.809 73 E CB 2.548 32.260 29.700 0.021 0.000 1.190 73 E HN 0.624 nan 8.360 nan 0.000 0.406 74 V N 1.907 121.854 119.914 0.055 0.000 3.120 74 V HA 0.290 4.414 4.120 0.007 0.000 0.303 74 V C -1.279 174.827 176.094 0.021 0.000 1.238 74 V CA -0.722 61.605 62.300 0.044 0.000 1.008 74 V CB 2.539 34.379 31.823 0.028 0.000 1.064 74 V HN 0.396 nan 8.190 nan 0.000 0.434 75 V N 3.112 123.031 119.914 0.008 0.000 2.459 75 V HA 0.776 4.900 4.120 0.007 0.000 0.295 75 V C -0.082 176.003 176.094 -0.015 0.000 1.029 75 V CA -0.076 62.224 62.300 0.001 0.000 0.874 75 V CB 1.867 33.690 31.823 0.001 0.000 0.985 75 V HN 0.880 nan 8.190 nan 0.000 0.438 76 S N 2.641 118.330 115.700 -0.018 0.000 2.541 76 S HA 0.676 5.150 4.470 0.007 0.000 0.280 76 S C 0.595 175.178 174.600 -0.029 0.000 1.112 76 S CA 0.153 58.334 58.200 -0.032 0.000 0.925 76 S CB 1.892 65.066 63.200 -0.043 0.000 1.067 76 S HN 0.947 nan 8.310 nan 0.000 0.479 77 G N 1.512 110.291 108.800 -0.035 0.000 3.159 77 G HA2 0.484 4.448 3.960 0.007 0.000 0.232 77 G HA3 0.484 4.448 3.960 0.007 0.000 0.232 77 G C 0.399 175.278 174.900 -0.034 0.000 1.116 77 G CA 0.269 45.351 45.100 -0.031 0.000 0.767 77 G HN 1.031 nan 8.290 nan 0.000 0.547 78 A N 0.774 123.568 122.820 -0.043 0.000 2.492 78 A HA 0.391 4.715 4.320 0.007 0.000 0.254 78 A C 1.399 178.966 177.584 -0.027 0.000 1.091 78 A CA -0.139 51.872 52.037 -0.043 0.000 0.768 78 A CB 0.472 19.437 19.000 -0.058 0.000 1.028 78 A HN 0.263 nan 8.150 nan 0.000 0.498 79 E N 2.366 122.558 120.200 -0.013 0.000 2.160 79 E HA -0.242 4.113 4.350 0.007 0.000 0.195 79 E C 1.330 177.927 176.600 -0.005 0.000 0.991 79 E CA 1.913 58.311 56.400 -0.003 0.000 0.810 79 E CB -0.192 29.515 29.700 0.011 0.000 0.742 79 E HN 1.009 nan 8.360 nan 0.000 0.466 80 N N 0.455 119.154 118.700 -0.002 0.000 2.467 80 N HA 0.077 4.821 4.740 0.007 0.000 0.184 80 N C 0.512 176.003 175.510 -0.031 0.000 1.106 80 N CA 0.391 53.436 53.050 -0.008 0.000 0.892 80 N CB 0.148 38.639 38.487 0.007 0.000 0.969 80 N HN -0.079 nan 8.380 nan 0.000 0.454 81 A N 1.700 124.497 122.820 -0.039 0.000 2.505 81 A HA 0.210 4.534 4.320 0.007 0.000 0.271 81 A C 0.342 177.897 177.584 -0.050 0.000 1.112 81 A CA -0.321 51.684 52.037 -0.053 0.000 0.781 81 A CB -0.244 18.725 19.000 -0.052 0.000 1.059 81 A HN 0.638 nan 8.150 nan 0.000 0.508 82 R N 1.536 122.002 120.500 -0.056 0.000 2.766 82 R HA 0.596 4.940 4.340 0.007 0.000 0.270 82 R C -0.730 175.534 176.300 -0.061 0.000 1.035 82 R CA -1.099 54.968 56.100 -0.056 0.000 0.911 82 R CB 0.928 31.202 30.300 -0.043 0.000 1.243 82 R HN 0.565 nan 8.270 nan 0.000 0.460 83 K N -0.461 119.901 120.400 -0.064 0.000 2.126 83 K HA 0.521 4.845 4.320 0.007 0.000 0.257 83 K C 0.555 177.133 176.600 -0.037 0.000 1.007 83 K CA 0.392 56.645 56.287 -0.057 0.000 0.928 83 K CB 1.141 33.600 32.500 -0.070 0.000 1.013 83 K HN 0.856 nan 8.250 nan 0.000 0.473 84 G N 1.580 110.365 108.800 -0.024 0.000 2.176 84 G HA2 -0.214 3.750 3.960 0.007 0.000 0.232 84 G HA3 -0.214 3.750 3.960 0.007 0.000 0.232 84 G C 0.047 174.951 174.900 0.007 0.000 0.986 84 G CA 0.254 45.351 45.100 -0.005 0.000 0.643 84 G HN 0.857 nan 8.290 nan 0.000 0.522 85 I N -1.440 119.124 120.570 -0.011 0.000 3.023 85 I HA 0.920 5.094 4.170 0.007 0.000 0.312 85 I C 0.545 176.650 176.117 -0.020 0.000 1.056 85 I CA -0.977 60.323 61.300 -0.000 0.000 1.033 85 I CB 1.964 39.942 38.000 -0.036 0.000 1.233 85 I HN 0.196 nan 8.210 nan 0.000 0.462 86 G N 1.651 110.466 108.800 0.026 0.000 2.389 86 G HA2 0.631 4.595 3.960 0.007 0.000 0.328 86 G HA3 0.631 4.595 3.960 0.007 0.000 0.328 86 G C -0.622 174.139 174.900 -0.232 0.000 1.133 86 G CA -0.575 44.470 45.100 -0.093 0.000 0.891 86 G HN 0.909 nan 8.290 nan 0.000 0.485 87 V N -1.506 118.173 119.914 -0.390 0.000 3.141 87 V HA 0.910 5.034 4.120 0.007 0.000 0.312 87 V C 0.112 176.070 176.094 -0.227 0.000 1.157 87 V CA -1.280 60.773 62.300 -0.412 0.000 1.041 87 V CB 1.553 33.200 31.823 -0.293 0.000 1.071 87 V HN 1.321 nan 8.190 nan 0.000 0.441 88 A N 2.743 125.452 122.820 -0.186 0.000 2.279 88 A HA 0.679 5.003 4.320 0.007 0.000 0.306 88 A C -0.403 177.139 177.584 -0.070 0.000 1.300 88 A CA -0.381 51.672 52.037 0.027 0.000 0.925 88 A CB 0.087 19.106 19.000 0.031 0.000 1.152 88 A HN 1.049 nan 8.150 nan 0.000 0.544 89 L N 3.784 124.979 121.223 -0.047 0.000 2.262 89 L HA 0.577 4.922 4.340 0.007 0.000 0.288 89 L C 0.258 177.103 176.870 -0.041 0.000 1.035 89 L CA -0.310 54.499 54.840 -0.052 0.000 0.820 89 L CB 1.014 43.051 42.059 -0.036 0.000 1.204 89 L HN 0.731 nan 8.230 nan 0.000 0.424 90 A N 6.940 129.720 122.820 -0.066 0.000 2.279 90 A HA 0.481 4.805 4.320 0.007 0.000 0.306 90 A C -0.141 177.380 177.584 -0.106 0.000 1.300 90 A CA -0.522 51.468 52.037 -0.077 0.000 0.925 90 A CB 0.176 19.124 19.000 -0.088 0.000 1.152 90 A HN 0.795 nan 8.150 nan 0.000 0.544 91 L N 3.929 125.088 121.223 -0.107 0.000 2.464 91 L HA 0.294 4.638 4.340 0.007 0.000 0.264 91 L C -1.704 175.006 176.870 -0.266 0.000 1.199 91 L CA -1.820 52.901 54.840 -0.198 0.000 0.818 91 L CB 0.416 42.407 42.059 -0.112 0.000 1.102 91 L HN 0.468 nan 8.230 nan 0.000 0.473 92 P HA 0.000 nan 4.420 nan 0.000 0.264 92 P C 0.625 177.804 177.300 -0.202 0.000 1.193 92 P CA 0.789 63.676 63.100 -0.354 0.000 0.763 92 P CB 0.872 32.263 31.700 -0.515 0.000 0.810 93 G N 1.867 110.586 108.800 -0.136 0.000 2.218 93 G HA2 -0.179 3.785 3.960 0.007 0.000 0.216 93 G HA3 -0.179 3.785 3.960 0.007 0.000 0.216 93 G C 0.216 175.074 174.900 -0.070 0.000 0.994 93 G CA -0.147 44.902 45.100 -0.085 0.000 0.637 93 G HN 0.609 nan 8.290 nan 0.000 0.505 94 T N 2.558 117.063 114.554 -0.082 0.000 2.870 94 T HA 0.442 4.796 4.350 0.007 0.000 0.300 94 T C -0.073 174.593 174.700 -0.056 0.000 0.989 94 T CA 0.117 62.179 62.100 -0.064 0.000 1.139 94 T CB 1.342 70.168 68.868 -0.071 0.000 0.920 94 T HN 0.175 nan 8.240 nan 0.000 0.537 95 E N 3.580 123.754 120.200 -0.043 0.000 2.044 95 E HA 0.247 4.601 4.350 0.007 0.000 0.282 95 E C -0.321 176.256 176.600 -0.039 0.000 1.031 95 E CA -0.160 56.218 56.400 -0.037 0.000 0.824 95 E CB 0.658 30.342 29.700 -0.027 0.000 1.076 95 E HN 0.519 nan 8.360 nan 0.000 0.395 96 L N 4.820 126.016 121.223 -0.045 0.000 2.307 96 L HA 0.235 4.579 4.340 0.007 0.000 0.282 96 L C -1.363 175.483 176.870 -0.039 0.000 1.051 96 L CA -1.884 52.926 54.840 -0.049 0.000 0.804 96 L CB 1.107 43.129 42.059 -0.062 0.000 1.197 96 L HN 0.186 nan 8.230 nan 0.000 0.431 97 P HA -0.133 nan 4.420 nan 0.000 0.211 97 P C 1.484 178.768 177.300 -0.027 0.000 1.179 97 P CA 1.227 64.313 63.100 -0.023 0.000 0.910 97 P CB 0.164 31.855 31.700 -0.014 0.000 0.785 98 G N -0.103 108.676 108.800 -0.035 0.000 2.513 98 G HA2 -0.272 3.692 3.960 0.007 0.000 0.219 98 G HA3 -0.272 3.692 3.960 0.007 0.000 0.219 98 G C 1.407 176.284 174.900 -0.038 0.000 1.160 98 G CA 0.897 45.974 45.100 -0.038 0.000 0.767 98 G HN 0.238 nan 8.290 nan 0.000 0.571 99 L N 0.372 121.569 121.223 -0.044 0.000 2.446 99 L HA 0.363 4.707 4.340 0.007 0.000 0.219 99 L C 2.198 179.050 176.870 -0.031 0.000 1.116 99 L CA 1.669 56.487 54.840 -0.038 0.000 0.844 99 L CB -0.075 41.956 42.059 -0.045 0.000 0.970 99 L HN 0.510 nan 8.230 nan 0.000 0.457 100 G N -1.071 107.712 108.800 -0.028 0.000 2.900 100 G HA2 -0.309 3.655 3.960 0.007 0.000 0.223 100 G HA3 -0.309 3.655 3.960 0.007 0.000 0.223 100 G C 0.285 175.169 174.900 -0.025 0.000 1.293 100 G CA 0.381 45.467 45.100 -0.023 0.000 0.792 100 G HN 0.551 nan 8.290 nan 0.000 0.527 101 Q N 1.707 121.490 119.800 -0.029 0.000 2.317 101 Q HA 0.605 4.949 4.340 0.007 0.000 0.229 101 Q C 0.095 176.073 176.000 -0.037 0.000 0.984 101 Q CA -0.351 55.434 55.803 -0.030 0.000 0.911 101 Q CB 1.243 29.963 28.738 -0.030 0.000 1.217 101 Q HN 0.584 nan 8.270 nan 0.000 0.501 102 K N 0.191 120.568 120.400 -0.038 0.000 2.237 102 K HA 0.304 4.628 4.320 0.007 0.000 0.270 102 K C -0.656 175.909 176.600 -0.059 0.000 1.015 102 K CA -0.466 55.793 56.287 -0.047 0.000 0.949 102 K CB 0.922 33.397 32.500 -0.043 0.000 0.976 102 K HN 0.415 nan 8.250 nan 0.000 0.472 103 V N 2.330 122.201 119.914 -0.072 0.000 2.732 103 V HA 0.499 4.624 4.120 0.007 0.000 0.297 103 V C 0.779 176.807 176.094 -0.111 0.000 1.060 103 V CA 0.113 62.359 62.300 -0.091 0.000 1.038 103 V CB 1.214 32.975 31.823 -0.103 0.000 1.003 103 V HN 1.012 nan 8.190 nan 0.000 0.481 104 G N 2.516 111.243 108.800 -0.121 0.000 2.721 104 G HA2 0.533 4.497 3.960 0.007 0.000 0.296 104 G HA3 0.533 4.497 3.960 0.007 0.000 0.296 104 G C -1.294 173.511 174.900 -0.158 0.000 1.383 104 G CA -0.595 44.422 45.100 -0.139 0.000 0.788 104 G HN 0.647 nan 8.290 nan 0.000 0.500 105 E N -0.041 120.071 120.200 -0.146 0.000 2.152 105 E HA 0.496 4.850 4.350 0.007 0.000 0.285 105 E C 0.290 176.876 176.600 -0.024 0.000 1.043 105 E CA -0.456 55.891 56.400 -0.088 0.000 0.839 105 E CB 0.389 30.083 29.700 -0.010 0.000 1.069 105 E HN 0.571 nan 8.360 nan 0.000 0.399 106 R N 1.328 121.821 120.500 -0.011 0.000 2.808 106 R HA 0.535 4.880 4.340 0.007 0.000 0.272 106 R C -1.458 174.847 176.300 0.008 0.000 0.995 106 R CA -1.008 55.090 56.100 -0.004 0.000 0.917 106 R CB 1.204 31.492 30.300 -0.020 0.000 1.217 106 R HN 0.171 nan 8.270 nan 0.000 0.471 107 V N 2.981 122.898 119.914 0.006 0.000 2.406 107 V HA 0.391 4.516 4.120 0.007 0.000 0.272 107 V C 0.001 176.095 176.094 0.000 0.000 1.043 107 V CA -0.300 62.004 62.300 0.007 0.000 0.915 107 V CB 0.775 32.602 31.823 0.006 0.000 0.988 107 V HN 0.558 nan 8.190 nan 0.000 0.466 108 I N 4.516 125.087 120.570 0.001 0.000 2.499 108 I HA 0.353 4.527 4.170 0.007 0.000 0.288 108 I C -0.130 175.986 176.117 -0.002 0.000 1.048 108 I CA -0.715 60.583 61.300 -0.003 0.000 1.062 108 I CB 2.047 40.044 38.000 -0.006 0.000 1.238 108 I HN 0.491 nan 8.210 nan 0.000 0.426 109 Q N 4.560 124.358 119.800 -0.004 0.000 2.416 109 Q HA -0.253 4.092 4.340 0.007 0.000 0.319 109 Q C 1.081 177.079 176.000 -0.003 0.000 1.318 109 Q CA 1.247 57.047 55.803 -0.004 0.000 0.915 109 Q CB -1.427 27.309 28.738 -0.003 0.000 1.184 109 Q HN 1.271 nan 8.270 nan 0.000 0.444 110 G N -2.518 106.280 108.800 -0.003 0.000 2.225 110 G HA2 -0.305 3.659 3.960 0.007 0.000 0.254 110 G HA3 -0.305 3.659 3.960 0.007 0.000 0.254 110 G C 0.115 175.012 174.900 -0.005 0.000 0.988 110 G CA 0.577 45.674 45.100 -0.005 0.000 0.625 110 G HN 1.131 nan 8.290 nan 0.000 0.527 111 V N -0.136 119.778 119.914 -0.000 0.000 2.769 111 V HA 0.832 4.956 4.120 0.007 0.000 0.312 111 V C 0.125 176.228 176.094 0.014 0.000 1.061 111 V CA -1.297 61.005 62.300 0.003 0.000 0.931 111 V CB 1.465 33.289 31.823 0.002 0.000 1.010 111 V HN 0.306 nan 8.190 nan 0.000 0.433 112 R N 3.715 124.229 120.500 0.024 0.000 2.248 112 R HA 0.350 4.695 4.340 0.007 0.000 0.337 112 R C 0.101 176.446 176.300 0.075 0.000 1.085 112 R CA 0.056 56.185 56.100 0.048 0.000 0.934 112 R CB 0.999 31.334 30.300 0.058 0.000 1.034 112 R HN 0.765 nan 8.270 nan 0.000 0.465 113 S N 3.653 119.390 115.700 0.062 0.000 2.448 113 S HA 0.091 4.565 4.470 0.007 0.000 0.279 113 S C -0.378 174.286 174.600 0.107 0.000 1.195 113 S CA -0.577 57.663 58.200 0.066 0.000 1.051 113 S CB 0.105 63.316 63.200 0.018 0.000 0.948 113 S HN 0.466 nan 8.310 nan 0.000 0.493 114 F N 6.744 126.681 119.950 -0.022 0.000 2.626 114 F HA 0.500 5.031 4.527 0.007 0.000 0.353 114 F C 1.048 176.833 175.800 -0.025 0.000 1.230 114 F CA 0.745 58.733 58.000 -0.020 0.000 1.298 114 F CB -0.816 38.173 39.000 -0.018 0.000 1.670 114 F HN 0.933 nan 8.300 nan 0.000 0.633 115 G N 4.040 112.698 108.800 -0.236 0.000 2.527 115 G HA2 -0.116 3.849 3.960 0.007 0.000 0.227 115 G HA3 -0.116 3.849 3.960 0.007 0.000 0.227 115 G C -0.781 174.060 174.900 -0.098 0.000 1.291 115 G CA -0.280 44.692 45.100 -0.213 0.000 0.904 115 G HN 0.942 nan 8.290 nan 0.000 0.577 116 M N -2.036 117.511 119.600 -0.088 0.000 2.603 116 M HA 0.802 5.286 4.480 0.007 0.000 0.275 116 M C -0.340 175.914 176.300 -0.077 0.000 1.226 116 M CA -0.510 54.748 55.300 -0.069 0.000 0.870 116 M CB 1.753 34.309 32.600 -0.072 0.000 1.716 116 M HN 2.320 nan 8.290 nan 0.000 0.482 117 A N 2.664 125.436 122.820 -0.080 0.000 2.363 117 A HA 0.772 5.096 4.320 0.007 0.000 0.270 117 A C -0.487 177.027 177.584 -0.117 0.000 1.121 117 A CA -0.669 51.306 52.037 -0.105 0.000 0.800 117 A CB 0.287 19.219 19.000 -0.113 0.000 1.052 117 A HN 0.806 nan 8.150 nan 0.000 0.493 118 L N 1.863 123.005 121.223 -0.136 0.000 2.416 118 L HA 0.566 4.911 4.340 0.007 0.000 0.262 118 L C 0.912 177.686 176.870 -0.160 0.000 1.093 118 L CA -0.534 54.221 54.840 -0.142 0.000 0.801 118 L CB 1.510 43.483 42.059 -0.142 0.000 1.191 118 L HN 0.850 nan 8.230 nan 0.000 0.459 119 S N -0.409 115.200 115.700 -0.151 0.000 2.704 119 S HA 0.501 4.975 4.470 0.007 0.000 0.305 119 S C -2.220 172.294 174.600 -0.142 0.000 1.107 119 S CA -1.426 56.685 58.200 -0.149 0.000 0.993 119 S CB 1.950 65.036 63.200 -0.191 0.000 1.110 119 S HN 0.323 nan 8.310 nan 0.000 0.534 120 P HA -0.133 nan 4.420 nan 0.000 0.216 120 P C 1.613 178.823 177.300 -0.151 0.000 1.153 120 P CA 1.150 64.164 63.100 -0.144 0.000 0.858 120 P CB 0.017 31.764 31.700 0.078 0.000 0.789 121 R N 0.332 120.775 120.500 -0.096 0.000 2.092 121 R HA -0.145 4.200 4.340 0.007 0.000 0.231 121 R C 1.886 178.131 176.300 -0.090 0.000 1.119 121 R CA 1.564 57.618 56.100 -0.076 0.000 0.970 121 R CB -0.281 29.974 30.300 -0.075 0.000 0.864 121 R HN 0.255 nan 8.270 nan 0.000 0.440 122 E N 0.277 120.409 120.200 -0.113 0.000 2.107 122 E HA -0.172 4.182 4.350 0.007 0.000 0.191 122 E C 1.871 178.402 176.600 -0.115 0.000 0.982 122 E CA 0.735 57.072 56.400 -0.105 0.000 0.809 122 E CB -0.075 29.559 29.700 -0.111 0.000 0.756 122 E HN 0.154 nan 8.360 nan 0.000 0.459 123 L N 0.082 121.212 121.223 -0.155 0.000 2.217 123 L HA 0.089 4.433 4.340 0.007 0.000 0.211 123 L C 1.181 177.956 176.870 -0.157 0.000 1.107 123 L CA 1.880 56.608 54.840 -0.188 0.000 0.783 123 L CB -0.210 41.674 42.059 -0.292 0.000 0.919 123 L HN 0.253 nan 8.230 nan 0.000 0.442 124 G N -1.198 107.521 108.800 -0.134 0.000 2.203 124 G HA2 -0.197 3.767 3.960 0.007 0.000 0.231 124 G HA3 -0.197 3.767 3.960 0.007 0.000 0.231 124 G C 0.608 175.503 174.900 -0.008 0.000 1.058 124 G CA 0.602 45.668 45.100 -0.056 0.000 0.781 124 G HN 0.931 nan 8.290 nan 0.000 0.496 125 V N -3.344 116.479 119.914 -0.152 0.000 3.635 125 V HA 0.758 4.882 4.120 0.007 0.000 0.266 125 V C 1.049 177.065 176.094 -0.131 0.000 1.316 125 V CA 1.220 63.440 62.300 -0.133 0.000 1.060 125 V CB 0.690 32.070 31.823 -0.739 0.000 0.820 125 V HN 1.681 nan 8.190 nan 0.000 0.447 126 G N -0.468 108.244 108.800 -0.146 0.000 2.684 126 G HA2 0.546 4.511 3.960 0.007 0.000 0.290 126 G HA3 0.546 4.511 3.960 0.007 0.000 0.290 126 G C -0.549 174.428 174.900 0.127 0.000 1.425 126 G CA -0.196 44.968 45.100 0.106 0.000 0.822 126 G HN -0.067 nan 8.290 nan 0.000 0.482 127 E N -0.736 119.580 120.200 0.194 0.000 2.358 127 E HA 0.059 4.413 4.350 0.007 0.000 0.195 127 E C 0.267 176.967 176.600 0.167 0.000 1.010 127 E CA -0.038 56.449 56.400 0.145 0.000 0.856 127 E CB -0.073 29.710 29.700 0.138 0.000 0.795 127 E HN 0.398 nan 8.360 nan 0.000 0.504 128 Y N 0.327 120.687 120.300 0.099 0.000 2.632 128 Y HA 0.315 4.869 4.550 0.007 0.000 0.329 128 Y C 1.238 177.162 175.900 0.040 0.000 1.174 128 Y CA 0.345 58.495 58.100 0.083 0.000 1.469 128 Y CB 0.733 39.273 38.460 0.133 0.000 1.242 128 Y HN -0.032 nan 8.280 nan 0.000 0.540 129 G N 3.227 111.669 108.800 -0.596 0.000 4.299 129 G HA2 0.170 4.134 3.960 0.007 0.000 0.290 129 G HA3 0.170 4.134 3.960 0.007 0.000 0.290 129 G C 0.787 175.297 174.900 -0.650 0.000 1.019 129 G CA 0.132 44.919 45.100 -0.521 0.000 0.790 129 G HN 0.976 nan 8.290 nan 0.000 0.452 130 G N -0.100 107.959 108.800 -1.234 0.000 3.371 130 G HA2 0.524 4.489 3.960 0.007 0.000 0.248 130 G HA3 0.524 4.489 3.960 0.007 0.000 0.248 130 G C 0.505 175.220 174.900 -0.309 0.000 1.161 130 G CA 0.358 45.114 45.100 -0.572 0.000 0.796 130 G HN 0.816 nan 8.290 nan 0.000 0.539 131 G N -0.814 107.766 108.800 -0.366 0.000 2.451 131 G HA2 0.405 4.369 3.960 0.007 0.000 0.292 131 G HA3 0.405 4.369 3.960 0.007 0.000 0.292 131 G C -0.966 173.894 174.900 -0.066 0.000 1.427 131 G CA -1.034 44.027 45.100 -0.064 0.000 0.792 131 G HN 0.147 nan 8.290 nan 0.000 0.498 132 L N 0.434 121.626 121.223 -0.052 0.000 2.466 132 L HA 0.363 4.707 4.340 0.007 0.000 0.257 132 L C 0.375 177.183 176.870 -0.103 0.000 1.189 132 L CA -0.954 53.821 54.840 -0.108 0.000 0.813 132 L CB 0.552 42.526 42.059 -0.142 0.000 1.118 132 L HN 0.255 nan 8.230 nan 0.000 0.471 133 L N 1.771 122.861 121.223 -0.222 0.000 2.426 133 L HA 0.164 4.508 4.340 0.007 0.000 0.271 133 L C 0.133 176.687 176.870 -0.526 0.000 1.169 133 L CA 0.565 55.225 54.840 -0.299 0.000 0.836 133 L CB 0.609 42.365 42.059 -0.506 0.000 1.112 133 L HN 0.627 nan 8.230 nan 0.000 0.465 134 E N 3.167 123.169 120.200 -0.330 0.000 2.155 134 E HA 0.412 4.766 4.350 0.007 0.000 0.264 134 E C -1.155 175.412 176.600 -0.055 0.000 0.886 134 E CA -0.402 55.851 56.400 -0.244 0.000 0.752 134 E CB 1.257 30.919 29.700 -0.064 0.000 1.133 134 E HN 0.202 nan 8.360 nan 0.000 0.414 135 F N 2.189 122.196 119.950 0.095 0.000 2.572 135 F HA 0.486 5.017 4.527 0.007 0.000 0.342 135 F C -2.124 173.759 175.800 0.139 0.000 1.064 135 F CA -3.072 55.020 58.000 0.153 0.000 1.008 135 F CB 0.153 39.332 39.000 0.299 0.000 1.303 135 F HN 0.212 nan 8.300 nan 0.000 0.492 136 P HA 0.114 nan 4.420 nan 0.000 0.276 136 P C 0.592 178.077 177.300 0.307 0.000 1.235 136 P CA 0.019 63.245 63.100 0.210 0.000 0.772 136 P CB 0.648 32.411 31.700 0.106 0.000 0.871 137 E N 2.871 123.208 120.200 0.229 0.000 2.284 137 E HA -0.267 4.087 4.350 0.007 0.000 0.200 137 E C 0.178 176.985 176.600 0.344 0.000 1.008 137 E CA 1.801 58.362 56.400 0.269 0.000 0.829 137 E CB -0.071 29.711 29.700 0.136 0.000 0.744 137 E HN 0.501 nan 8.360 nan 0.000 0.491 138 D N -1.421 119.093 120.400 0.191 0.000 2.440 138 D HA 0.221 4.865 4.640 0.007 0.000 0.216 138 D C 1.396 177.634 176.300 -0.103 0.000 1.150 138 D CA 0.418 54.457 54.000 0.065 0.000 0.832 138 D CB 0.398 41.216 40.800 0.031 0.000 0.992 138 D HN 0.211 nan 8.370 nan 0.000 0.502 139 A N 0.467 123.204 122.820 -0.139 0.000 1.927 139 A HA -0.022 4.302 4.320 0.007 0.000 0.220 139 A C 0.850 178.103 177.584 -0.551 0.000 1.185 139 A CA 1.107 52.960 52.037 -0.307 0.000 0.639 139 A CB -0.323 18.550 19.000 -0.212 0.000 0.820 139 A HN 0.388 nan 8.150 nan 0.000 0.451 140 L N -3.371 117.205 121.223 -1.077 0.000 2.502 140 L HA 0.392 4.736 4.340 0.007 0.000 0.253 140 L C -2.908 173.674 176.870 -0.481 0.000 1.070 140 L CA -2.406 51.974 54.840 -0.766 0.000 0.871 140 L CB 2.076 43.660 42.059 -0.792 0.000 1.487 140 L HN -0.186 nan 8.230 nan 0.000 0.408 141 P HA 0.228 nan 4.420 nan 0.000 0.282 141 P C -2.516 174.855 177.300 0.119 0.000 1.262 141 P CA -1.246 61.846 63.100 -0.013 0.000 0.773 141 P CB 0.279 31.973 31.700 -0.010 0.000 0.879 142 P HA -0.056 nan 4.420 nan 0.000 0.259 142 P C 1.091 178.510 177.300 0.199 0.000 1.163 142 P CA 1.726 65.008 63.100 0.302 0.000 0.760 142 P CB 0.002 31.818 31.700 0.192 0.000 0.762 143 G N 1.755 110.686 108.800 0.219 0.000 2.195 143 G HA2 -0.231 3.733 3.960 0.007 0.000 0.246 143 G HA3 -0.231 3.733 3.960 0.007 0.000 0.246 143 G C 0.309 175.288 174.900 0.131 0.000 0.984 143 G CA 0.192 45.378 45.100 0.143 0.000 0.633 143 G HN 0.784 nan 8.290 nan 0.000 0.525 144 T N 0.521 115.162 114.554 0.146 0.000 2.901 144 T HA 0.527 4.881 4.350 0.007 0.000 0.301 144 T C -2.181 172.585 174.700 0.110 0.000 1.012 144 T CA -1.118 61.039 62.100 0.095 0.000 1.135 144 T CB 1.617 70.514 68.868 0.047 0.000 0.936 144 T HN 0.106 nan 8.240 nan 0.000 0.539 145 P HA 0.031 nan 4.420 nan 0.000 0.262 145 P C 0.844 178.191 177.300 0.079 0.000 1.182 145 P CA -0.426 62.717 63.100 0.071 0.000 0.761 145 P CB 0.345 32.075 31.700 0.051 0.000 0.795 146 L N 4.082 125.354 121.223 0.083 0.000 2.127 146 L HA -0.205 4.139 4.340 0.007 0.000 0.211 146 L C 1.916 178.842 176.870 0.093 0.000 1.089 146 L CA 1.943 56.832 54.840 0.081 0.000 0.757 146 L CB -1.250 40.828 42.059 0.032 0.000 0.899 146 L HN 0.273 nan 8.230 nan 0.000 0.434 147 S N -0.568 115.178 115.700 0.078 0.000 2.374 147 S HA -0.274 4.200 4.470 0.007 0.000 0.227 147 S C 1.697 176.368 174.600 0.118 0.000 1.037 147 S CA 1.573 59.840 58.200 0.112 0.000 1.024 147 S CB -0.544 62.705 63.200 0.081 0.000 0.861 147 S HN 0.563 nan 8.310 nan 0.000 0.456 148 E N 0.788 121.035 120.200 0.078 0.000 2.448 148 E HA -0.035 4.319 4.350 0.007 0.000 0.203 148 E C 1.212 177.839 176.600 0.046 0.000 1.046 148 E CA 0.787 57.220 56.400 0.054 0.000 0.871 148 E CB -0.088 29.632 29.700 0.033 0.000 0.790 148 E HN 0.593 nan 8.360 nan 0.000 0.545 149 A N -0.625 122.241 122.820 0.075 0.000 2.704 149 A HA 0.106 4.430 4.320 0.007 0.000 0.260 149 A C -0.459 177.194 177.584 0.115 0.000 1.144 149 A CA -0.487 51.578 52.037 0.047 0.000 0.985 149 A CB 0.507 19.499 19.000 -0.013 0.000 1.256 149 A HN 0.309 nan 8.150 nan 0.000 0.598 150 W N 2.549 123.825 121.300 -0.040 0.000 1.752 150 W HA 0.320 4.984 4.660 0.007 0.000 0.308 150 W C -3.350 173.196 176.519 0.044 0.000 0.978 150 W CA -2.156 55.170 57.345 -0.032 0.000 1.401 150 W CB 1.171 30.561 29.460 -0.116 0.000 1.522 150 W HN 0.103 nan 8.180 nan 0.000 0.359 151 P HA 0.111 nan 4.420 nan 0.000 0.274 151 P C 0.131 177.663 177.300 0.388 0.000 1.256 151 P CA 0.366 63.626 63.100 0.268 0.000 0.795 151 P CB 1.611 33.409 31.700 0.162 0.000 1.038 152 E N -0.050 120.327 120.200 0.294 0.000 2.408 152 E HA 0.179 4.533 4.350 0.007 0.000 0.259 152 E C -0.020 176.707 176.600 0.212 0.000 1.110 152 E CA 0.008 56.579 56.400 0.285 0.000 0.929 152 E CB 0.392 30.183 29.700 0.153 0.000 0.971 152 E HN 0.459 nan 8.360 nan 0.000 0.438 153 E N 0.328 120.575 120.200 0.078 0.000 2.343 153 E HA 0.354 4.708 4.350 0.007 0.000 0.270 153 E C -1.857 174.712 176.600 -0.051 0.000 0.895 153 E CA -0.772 55.651 56.400 0.038 0.000 0.767 153 E CB 1.783 31.508 29.700 0.042 0.000 1.248 153 E HN 0.183 nan 8.360 nan 0.000 0.440 154 V N 3.159 123.087 119.914 0.022 0.000 2.417 154 V HA 0.513 4.637 4.120 0.007 0.000 0.291 154 V C -0.708 175.407 176.094 0.035 0.000 1.024 154 V CA -0.812 61.479 62.300 -0.016 0.000 0.861 154 V CB 1.525 33.305 31.823 -0.071 0.000 0.985 154 V HN 0.579 nan 8.190 nan 0.000 0.436 155 V N 6.223 126.134 119.914 -0.006 0.000 2.409 155 V HA 0.466 4.591 4.120 0.007 0.000 0.291 155 V C -0.444 175.658 176.094 0.013 0.000 1.020 155 V CA -0.621 61.691 62.300 0.019 0.000 0.848 155 V CB 1.654 33.476 31.823 -0.002 0.000 0.990 155 V HN 0.601 nan 8.190 nan 0.000 0.430 156 L N 3.995 125.233 121.223 0.026 0.000 2.292 156 L HA 0.441 4.785 4.340 0.007 0.000 0.284 156 L C 0.406 177.277 176.870 0.001 0.000 1.065 156 L CA 0.222 55.069 54.840 0.013 0.000 0.806 156 L CB 0.872 42.943 42.059 0.020 0.000 1.175 156 L HN 0.557 nan 8.230 nan 0.000 0.431 157 D N 4.193 124.595 120.400 0.004 0.000 2.441 157 D HA 0.152 4.796 4.640 0.007 0.000 0.221 157 D C -0.746 175.559 176.300 0.008 0.000 1.156 157 D CA -0.134 53.868 54.000 0.004 0.000 0.896 157 D CB 0.482 41.286 40.800 0.008 0.000 1.028 157 D HN 0.308 nan 8.370 nan 0.000 0.509 158 L N 2.916 124.138 121.223 -0.002 0.000 2.312 158 L HA 0.277 4.621 4.340 0.007 0.000 0.281 158 L C 0.505 177.399 176.870 0.041 0.000 1.070 158 L CA -0.527 54.321 54.840 0.013 0.000 0.805 158 L CB 1.628 43.665 42.059 -0.038 0.000 1.174 158 L HN 0.389 nan 8.230 nan 0.000 0.434 159 E N 3.304 123.556 120.200 0.085 0.000 2.167 159 E HA 0.292 4.646 4.350 0.007 0.000 0.284 159 E C -1.489 175.224 176.600 0.188 0.000 1.016 159 E CA -0.562 55.901 56.400 0.104 0.000 0.817 159 E CB 1.349 31.099 29.700 0.084 0.000 1.080 159 E HN 0.334 nan 8.360 nan 0.000 0.397 160 V N 5.614 125.630 119.914 0.169 0.000 2.284 160 V HA 0.127 4.252 4.120 0.007 0.000 0.274 160 V C 0.260 176.454 176.094 0.166 0.000 1.023 160 V CA -0.734 61.708 62.300 0.237 0.000 0.808 160 V CB 0.853 32.758 31.823 0.137 0.000 1.035 160 V HN 0.878 nan 8.190 nan 0.000 0.445 161 T N 3.226 117.860 114.554 0.133 0.000 2.937 161 T HA 0.117 4.471 4.350 0.007 0.000 0.316 161 T C -1.445 173.290 174.700 0.058 0.000 1.079 161 T CA -0.928 61.210 62.100 0.064 0.000 1.131 161 T CB 0.699 69.567 68.868 0.001 0.000 1.000 161 T HN 0.395 nan 8.240 nan 0.000 0.549 162 P HA -0.183 nan 4.420 nan 0.000 0.218 162 P C 1.544 178.854 177.300 0.017 0.000 1.146 162 P CA 1.074 64.189 63.100 0.024 0.000 0.820 162 P CB -0.102 31.615 31.700 0.028 0.000 0.778 163 N N -0.910 117.800 118.700 0.017 0.000 2.396 163 N HA -0.116 4.629 4.740 0.007 0.000 0.180 163 N C 0.646 176.171 175.510 0.025 0.000 1.028 163 N CA 0.955 54.013 53.050 0.013 0.000 0.893 163 N CB -0.376 38.110 38.487 -0.001 0.000 0.967 163 N HN 0.027 nan 8.380 nan 0.000 0.440 164 R N 1.309 121.841 120.500 0.053 0.000 3.463 164 R HA 0.276 4.620 4.340 0.007 0.000 0.303 164 R C -1.651 174.697 176.300 0.079 0.000 1.370 164 R CA -1.859 54.303 56.100 0.105 0.000 1.524 164 R CB 0.460 30.903 30.300 0.237 0.000 1.389 164 R HN 0.289 nan 8.270 nan 0.000 0.640 165 P HA -0.164 nan 4.420 nan 0.000 0.222 165 P C 0.526 177.804 177.300 -0.036 0.000 1.147 165 P CA 1.073 64.155 63.100 -0.030 0.000 0.790 165 P CB 0.301 31.977 31.700 -0.040 0.000 0.780 166 D N 0.716 121.123 120.400 0.011 0.000 2.264 166 D HA -0.102 4.542 4.640 0.007 0.000 0.208 166 D C 1.570 177.827 176.300 -0.071 0.000 0.966 166 D CA 0.862 54.863 54.000 0.001 0.000 0.864 166 D CB -0.728 40.153 40.800 0.135 0.000 0.933 166 D HN 0.144 nan 8.370 nan 0.000 0.499 167 A N 0.353 123.143 122.820 -0.050 0.000 2.238 167 A HA 0.189 4.513 4.320 0.007 0.000 0.208 167 A C 1.975 179.440 177.584 -0.200 0.000 1.177 167 A CA -0.177 51.759 52.037 -0.168 0.000 0.804 167 A CB -0.577 18.324 19.000 -0.166 0.000 0.823 167 A HN 0.247 nan 8.150 nan 0.000 0.482 168 L N -0.121 121.012 121.223 -0.151 0.000 2.653 168 L HA 0.233 4.577 4.340 0.007 0.000 0.232 168 L C 0.854 177.604 176.870 -0.200 0.000 1.169 168 L CA -0.007 54.742 54.840 -0.152 0.000 0.951 168 L CB 0.143 42.120 42.059 -0.136 0.000 1.181 168 L HN 0.413 nan 8.230 nan 0.000 0.460 169 G N -1.040 107.614 108.800 -0.244 0.000 2.707 169 G HA2 0.383 4.348 3.960 0.007 0.000 0.299 169 G HA3 0.383 4.348 3.960 0.007 0.000 0.299 169 G C 0.125 174.802 174.900 -0.372 0.000 1.442 169 G CA -0.500 44.423 45.100 -0.295 0.000 1.009 169 G HN -0.181 nan 8.290 nan 0.000 0.515 170 L N 2.070 123.015 121.223 -0.463 0.000 2.127 170 L HA 0.010 4.355 4.340 0.007 0.000 0.211 170 L C 2.703 179.259 176.870 -0.525 0.000 1.089 170 L CA 1.228 55.767 54.840 -0.502 0.000 0.757 170 L CB -0.431 41.240 42.059 -0.648 0.000 0.899 170 L HN 0.633 nan 8.230 nan 0.000 0.434 171 L N -1.451 119.370 121.223 -0.669 0.000 2.217 171 L HA -0.084 4.260 4.340 0.007 0.000 0.211 171 L C 2.245 178.850 176.870 -0.442 0.000 1.107 171 L CA 1.061 55.465 54.840 -0.727 0.000 0.783 171 L CB -0.578 41.045 42.059 -0.727 0.000 0.919 171 L HN 0.395 nan 8.230 nan 0.000 0.442 172 G N -0.154 108.420 108.800 -0.377 0.000 2.402 172 G HA2 -0.259 3.705 3.960 0.007 0.000 0.216 172 G HA3 -0.259 3.705 3.960 0.007 0.000 0.216 172 G C 1.440 176.199 174.900 -0.234 0.000 1.162 172 G CA 0.311 45.240 45.100 -0.285 0.000 0.777 172 G HN 0.188 nan 8.290 nan 0.000 0.539 173 L N 1.453 122.495 121.223 -0.302 0.000 2.046 173 L HA 0.078 4.423 4.340 0.007 0.000 0.208 173 L C 3.262 180.006 176.870 -0.209 0.000 1.077 173 L CA 1.665 56.314 54.840 -0.317 0.000 0.747 173 L CB -1.035 40.793 42.059 -0.385 0.000 0.896 173 L HN 0.290 nan 8.230 nan 0.000 0.432 174 A N -0.953 121.738 122.820 -0.215 0.000 1.948 174 A HA -0.286 4.038 4.320 0.007 0.000 0.220 174 A C 2.538 180.083 177.584 -0.064 0.000 1.177 174 A CA 2.007 53.961 52.037 -0.139 0.000 0.636 174 A CB -0.578 18.329 19.000 -0.156 0.000 0.815 174 A HN 0.404 nan 8.150 nan 0.000 0.449 175 R N -0.668 119.781 120.500 -0.086 0.000 2.075 175 R HA -0.154 4.190 4.340 0.007 0.000 0.232 175 R C 1.598 177.953 176.300 0.092 0.000 1.126 175 R CA 1.708 57.812 56.100 0.008 0.000 0.963 175 R CB -0.313 29.965 30.300 -0.037 0.000 0.858 175 R HN 0.457 nan 8.270 nan 0.000 0.435 176 D N 0.341 120.772 120.400 0.052 0.000 2.123 176 D HA -0.153 4.491 4.640 0.007 0.000 0.196 176 D C 1.840 178.195 176.300 0.092 0.000 0.992 176 D CA 1.053 55.106 54.000 0.089 0.000 0.833 176 D CB -0.055 40.823 40.800 0.129 0.000 0.954 176 D HN 0.219 nan 8.370 nan 0.000 0.455 177 L N -0.194 121.064 121.223 0.059 0.000 2.141 177 L HA -0.162 4.182 4.340 0.007 0.000 0.209 177 L C 2.443 179.451 176.870 0.230 0.000 1.094 177 L CA 0.995 55.884 54.840 0.082 0.000 0.763 177 L CB -0.452 41.524 42.059 -0.138 0.000 0.908 177 L HN 0.289 nan 8.230 nan 0.000 0.437 178 H N 0.396 119.519 119.070 0.088 0.000 2.353 178 H HA -0.161 4.400 4.556 0.007 0.000 0.300 178 H C 2.122 177.499 175.328 0.083 0.000 1.090 178 H CA 1.397 57.506 56.048 0.102 0.000 1.327 178 H CB 0.373 30.161 29.762 0.043 0.000 1.383 178 H HN 0.334 nan 8.280 nan 0.000 0.508 179 A N 1.044 123.857 122.820 -0.011 0.000 2.024 179 A HA -0.137 4.187 4.320 0.007 0.000 0.220 179 A C 2.332 179.867 177.584 -0.082 0.000 1.164 179 A CA 1.106 53.095 52.037 -0.080 0.000 0.643 179 A CB -0.553 18.448 19.000 0.002 0.000 0.806 179 A HN 0.366 nan 8.150 nan 0.000 0.451 180 L N -1.895 119.329 121.223 0.003 0.000 2.376 180 L HA 0.161 4.505 4.340 0.007 0.000 0.219 180 L C 1.873 178.702 176.870 -0.069 0.000 1.133 180 L CA 1.637 56.484 54.840 0.012 0.000 0.816 180 L CB -0.360 41.784 42.059 0.142 0.000 0.933 180 L HN 0.648 nan 8.230 nan 0.000 0.449 181 G N -3.614 105.127 108.800 -0.098 0.000 2.318 181 G HA2 -0.224 3.740 3.960 0.007 0.000 0.172 181 G HA3 -0.224 3.740 3.960 0.007 0.000 0.172 181 G C 0.057 174.879 174.900 -0.129 0.000 1.002 181 G CA -0.449 44.548 45.100 -0.171 0.000 0.697 181 G HN 0.158 nan 8.290 nan 0.000 0.483 182 Y N 1.736 122.015 120.300 -0.036 0.000 2.397 182 Y HA 0.521 5.075 4.550 0.007 0.000 0.335 182 Y C 1.188 177.160 175.900 0.120 0.000 1.213 182 Y CA 0.362 58.482 58.100 0.032 0.000 1.391 182 Y CB 0.882 39.370 38.460 0.046 0.000 1.293 182 Y HN 0.399 nan 8.280 nan 0.000 0.557 183 A N 4.343 127.330 122.820 0.278 0.000 2.462 183 A HA 0.347 4.671 4.320 0.007 0.000 0.243 183 A C -0.703 177.016 177.584 0.225 0.000 1.076 183 A CA -0.428 51.752 52.037 0.239 0.000 0.773 183 A CB 0.137 19.217 19.000 0.134 0.000 1.010 183 A HN 0.704 nan 8.150 nan 0.000 0.493 184 L N 3.950 125.258 121.223 0.142 0.000 2.313 184 L HA 0.598 4.943 4.340 0.007 0.000 0.283 184 L C -1.160 175.691 176.870 -0.031 0.000 1.013 184 L CA -0.405 54.428 54.840 -0.013 0.000 0.816 184 L CB 1.573 43.441 42.059 -0.318 0.000 1.236 184 L HN 0.427 nan 8.230 nan 0.000 0.419 185 V N 5.159 125.086 119.914 0.022 0.000 2.357 185 V HA 0.392 4.516 4.120 0.007 0.000 0.284 185 V C -0.040 176.104 176.094 0.083 0.000 1.018 185 V CA -0.700 61.618 62.300 0.030 0.000 0.841 185 V CB 1.617 33.453 31.823 0.022 0.000 0.991 185 V HN 0.741 nan 8.190 nan 0.000 0.437 186 E N 6.142 126.358 120.200 0.027 0.000 2.175 186 E HA 0.419 4.773 4.350 0.007 0.000 0.278 186 E C -2.236 174.399 176.600 0.057 0.000 0.969 186 E CA -1.708 54.711 56.400 0.031 0.000 0.796 186 E CB 1.585 31.260 29.700 -0.042 0.000 1.104 186 E HN 0.555 nan 8.360 nan 0.000 0.395 187 P HA -0.024 nan 4.420 nan 0.000 0.268 187 P C -1.065 176.258 177.300 0.038 0.000 1.204 187 P CA -0.047 63.105 63.100 0.087 0.000 0.768 187 P CB 0.565 32.364 31.700 0.165 0.000 0.842 188 E N 1.402 121.610 120.200 0.014 0.000 2.146 188 E HA 0.494 4.848 4.350 0.007 0.000 0.282 188 E C -0.521 176.083 176.600 0.006 0.000 0.989 188 E CA -1.171 55.231 56.400 0.003 0.000 0.799 188 E CB 0.993 30.688 29.700 -0.010 0.000 1.088 188 E HN 0.375 nan 8.360 nan 0.000 0.397 189 A N 3.773 126.599 122.820 0.010 0.000 2.990 189 A HA 0.423 4.747 4.320 0.007 0.000 0.282 189 A C 0.477 178.062 177.584 0.001 0.000 1.688 189 A CA -0.240 51.803 52.037 0.011 0.000 1.391 189 A CB -0.547 18.463 19.000 0.016 0.000 1.112 189 A HN 0.725 nan 8.150 nan 0.000 0.588 190 A N 2.825 125.642 122.820 -0.006 0.000 2.475 190 A HA 0.492 4.816 4.320 0.007 0.000 0.293 190 A C 0.007 177.583 177.584 -0.014 0.000 1.252 190 A CA 0.155 52.185 52.037 -0.012 0.000 0.920 190 A CB -0.316 18.673 19.000 -0.020 0.000 1.125 190 A HN 0.807 nan 8.150 nan 0.000 0.528 191 L N 2.505 123.722 121.223 -0.011 0.000 2.334 191 L HA 0.507 4.851 4.340 0.007 0.000 0.276 191 L C 0.323 177.184 176.870 -0.015 0.000 1.014 191 L CA -0.602 54.230 54.840 -0.014 0.000 0.815 191 L CB 1.930 43.985 42.059 -0.005 0.000 1.268 191 L HN 0.706 nan 8.230 nan 0.000 0.428 192 K N 4.016 124.401 120.400 -0.025 0.000 2.562 192 K HA 0.516 4.840 4.320 0.007 0.000 0.206 192 K C -0.582 176.005 176.600 -0.022 0.000 1.033 192 K CA -0.405 55.869 56.287 -0.022 0.000 1.029 192 K CB 1.066 33.548 32.500 -0.030 0.000 1.393 192 K HN 0.677 nan 8.250 nan 0.000 0.539 193 A N 2.803 125.622 122.820 -0.002 0.000 2.296 193 A HA 0.320 4.644 4.320 0.007 0.000 0.264 193 A C -0.633 176.972 177.584 0.035 0.000 1.097 193 A CA -0.243 51.803 52.037 0.016 0.000 0.811 193 A CB 0.411 19.431 19.000 0.033 0.000 1.072 193 A HN 0.745 nan 8.150 nan 0.000 0.495 194 E N -0.083 120.160 120.200 0.072 0.000 2.241 194 E HA 0.466 4.820 4.350 0.007 0.000 0.263 194 E C -0.849 175.817 176.600 0.110 0.000 0.882 194 E CA -0.690 55.768 56.400 0.097 0.000 0.769 194 E CB 1.922 31.710 29.700 0.147 0.000 1.185 194 E HN 0.773 nan 8.360 nan 0.000 0.415 195 A N 4.330 127.196 122.820 0.077 0.000 2.475 195 A HA 0.435 4.759 4.320 0.007 0.000 0.293 195 A C -0.386 177.239 177.584 0.067 0.000 1.252 195 A CA 0.138 52.215 52.037 0.065 0.000 0.920 195 A CB -0.898 18.128 19.000 0.043 0.000 1.125 195 A HN 0.482 nan 8.150 nan 0.000 0.528 196 L N 0.827 122.097 121.223 0.077 0.000 2.710 196 L HA 0.795 5.140 4.340 0.007 0.000 0.260 196 L C -2.876 174.011 176.870 0.029 0.000 0.993 196 L CA -1.848 53.024 54.840 0.054 0.000 0.877 196 L CB 1.332 43.435 42.059 0.074 0.000 1.461 196 L HN 0.313 nan 8.230 nan 0.000 0.413 197 P HA 0.285 nan 4.420 nan 0.000 0.275 197 P C -0.959 176.214 177.300 -0.211 0.000 1.228 197 P CA -0.197 62.841 63.100 -0.103 0.000 0.786 197 P CB 0.997 32.633 31.700 -0.106 0.000 0.927 198 L N 4.875 125.889 121.223 -0.348 0.000 2.313 198 L HA 0.181 4.525 4.340 0.007 0.000 0.282 198 L C -1.213 175.216 176.870 -0.735 0.000 1.092 198 L CA -1.675 52.728 54.840 -0.728 0.000 0.831 198 L CB 0.614 42.127 42.059 -0.909 0.000 1.159 198 L HN 0.266 nan 8.230 nan 0.000 0.442 199 P HA 0.031 nan 4.420 nan 0.000 0.277 199 P C -0.868 176.379 177.300 -0.087 0.000 1.617 199 P CA 0.301 63.217 63.100 -0.307 0.000 0.829 199 P CB -0.612 30.952 31.700 -0.226 0.000 1.774 200 F N -3.183 116.626 119.950 -0.235 0.000 2.799 200 F HA 0.723 5.254 4.527 0.007 0.000 0.316 200 F C -1.825 173.893 175.800 -0.137 0.000 1.155 200 F CA -1.716 56.160 58.000 -0.207 0.000 0.916 200 F CB 0.279 39.147 39.000 -0.220 0.000 1.294 200 F HN -0.049 nan 8.300 nan 0.000 0.447 201 A N 1.314 124.181 122.820 0.079 0.000 2.346 201 A HA 0.899 5.223 4.320 0.007 0.000 0.313 201 A C -2.016 175.725 177.584 0.261 0.000 1.140 201 A CA -0.915 51.194 52.037 0.120 0.000 0.826 201 A CB 1.710 20.841 19.000 0.220 0.000 1.332 201 A HN 1.361 nan 8.150 nan 0.000 0.457 202 L N 0.313 121.687 121.223 0.252 0.000 2.356 202 L HA 0.719 5.063 4.340 0.007 0.000 0.277 202 L C -0.468 176.525 176.870 0.205 0.000 0.996 202 L CA -0.221 54.771 54.840 0.254 0.000 0.822 202 L CB 1.519 43.724 42.059 0.244 0.000 1.256 202 L HN 0.662 nan 8.230 nan 0.000 0.413 203 K N 4.711 125.216 120.400 0.175 0.000 2.656 203 K HA 0.497 4.821 4.320 0.007 0.000 0.241 203 K C -1.753 174.812 176.600 -0.058 0.000 0.967 203 K CA -0.560 55.753 56.287 0.043 0.000 0.946 203 K CB 1.353 33.828 32.500 -0.042 0.000 1.164 203 K HN 0.510 nan 8.250 nan 0.000 0.459 204 V N 4.859 124.723 119.914 -0.083 0.000 2.322 204 V HA 0.091 4.215 4.120 0.007 0.000 0.258 204 V C 0.749 176.788 176.094 -0.092 0.000 1.074 204 V CA -0.086 62.131 62.300 -0.138 0.000 0.909 204 V CB 0.727 32.478 31.823 -0.120 0.000 1.090 204 V HN 0.844 nan 8.190 nan 0.000 0.486 205 E N 1.895 122.033 120.200 -0.103 0.000 2.482 205 E HA -0.043 4.311 4.350 0.007 0.000 0.196 205 E C 0.541 177.106 176.600 -0.059 0.000 1.047 205 E CA 0.417 56.766 56.400 -0.085 0.000 0.869 205 E CB 0.329 29.968 29.700 -0.103 0.000 0.836 205 E HN 0.635 nan 8.360 nan 0.000 0.520 206 D N -0.213 120.156 120.400 -0.050 0.000 2.468 206 D HA 0.061 4.705 4.640 0.007 0.000 0.272 206 D C -2.051 174.251 176.300 0.003 0.000 1.221 206 D CA -1.762 52.225 54.000 -0.021 0.000 0.860 206 D CB 1.000 41.789 40.800 -0.018 0.000 1.190 206 D HN -0.101 nan 8.370 nan 0.000 0.509 207 P HA -0.106 nan 4.420 nan 0.000 0.225 207 P C 1.092 178.420 177.300 0.047 0.000 1.148 207 P CA 0.593 63.712 63.100 0.032 0.000 0.779 207 P CB 0.898 32.613 31.700 0.025 0.000 0.780 208 E N 0.694 120.917 120.200 0.038 0.000 2.028 208 E HA -0.091 4.263 4.350 0.007 0.000 0.191 208 E C 2.358 178.998 176.600 0.068 0.000 0.988 208 E CA 1.901 58.327 56.400 0.044 0.000 0.799 208 E CB -1.203 28.517 29.700 0.032 0.000 0.755 208 E HN 0.210 nan 8.360 nan 0.000 0.447 209 G N -0.613 108.232 108.800 0.075 0.000 2.403 209 G HA2 -0.027 3.937 3.960 0.007 0.000 0.216 209 G HA3 -0.027 3.937 3.960 0.007 0.000 0.216 209 G C 0.651 175.690 174.900 0.233 0.000 1.154 209 G CA 0.538 45.710 45.100 0.120 0.000 0.784 209 G HN 0.345 nan 8.290 nan 0.000 0.538 210 A N 0.508 123.442 122.820 0.190 0.000 3.150 210 A HA 0.668 4.992 4.320 0.007 0.000 0.328 210 A C -1.223 176.431 177.584 0.117 0.000 1.104 210 A CA -0.990 51.163 52.037 0.194 0.000 0.937 210 A CB 0.902 20.025 19.000 0.206 0.000 1.073 210 A HN 0.063 nan 8.150 nan 0.000 0.497 211 P HA -0.171 nan 4.420 nan 0.000 0.217 211 P C 0.225 177.624 177.300 0.165 0.000 1.151 211 P CA 1.711 64.873 63.100 0.103 0.000 0.849 211 P CB 0.076 31.827 31.700 0.086 0.000 0.787 212 H N -2.187 116.894 119.070 0.019 0.000 2.924 212 H HA 0.528 5.089 4.556 0.007 0.000 0.333 212 H C -1.909 173.445 175.328 0.043 0.000 0.979 212 H CA -1.381 54.686 56.048 0.031 0.000 1.326 212 H CB 0.088 29.852 29.762 0.004 0.000 1.600 212 H HN -0.217 nan 8.280 nan 0.000 0.520 213 F N 4.824 124.674 119.950 -0.167 0.000 2.579 213 F HA 0.454 4.985 4.527 0.007 0.000 0.325 213 F C -0.816 174.887 175.800 -0.161 0.000 1.162 213 F CA -0.292 57.585 58.000 -0.205 0.000 0.946 213 F CB 1.458 40.408 39.000 -0.082 0.000 1.211 213 F HN 0.560 nan 8.300 nan 0.000 0.447 214 T N 4.149 118.418 114.554 -0.476 0.000 2.932 214 T HA 0.830 5.184 4.350 0.007 0.000 0.289 214 T C -1.131 173.437 174.700 -0.220 0.000 1.039 214 T CA -0.833 61.133 62.100 -0.224 0.000 1.024 214 T CB 1.955 70.696 68.868 -0.211 0.000 1.090 214 T HN 0.587 nan 8.240 nan 0.000 0.496 215 L N 1.074 122.325 121.223 0.048 0.000 2.436 215 L HA 0.697 5.041 4.340 0.007 0.000 0.268 215 L C 0.435 177.444 176.870 0.232 0.000 0.974 215 L CA -1.027 53.921 54.840 0.180 0.000 0.826 215 L CB 2.271 44.581 42.059 0.418 0.000 1.291 215 L HN 1.047 nan 8.230 nan 0.000 0.406 216 G N 0.797 109.739 108.800 0.235 0.000 2.441 216 G HA2 0.498 4.462 3.960 0.007 0.000 0.334 216 G HA3 0.498 4.462 3.960 0.007 0.000 0.334 216 G C -2.148 173.010 174.900 0.430 0.000 1.161 216 G CA -0.238 45.016 45.100 0.257 0.000 0.935 216 G HN 0.416 nan 8.290 nan 0.000 0.488 217 Y N 0.846 121.300 120.300 0.258 0.000 2.326 217 Y HA 0.662 5.216 4.550 0.007 0.000 0.329 217 Y C -0.398 175.673 175.900 0.286 0.000 0.973 217 Y CA -1.757 56.546 58.100 0.338 0.000 1.162 217 Y CB 1.388 40.061 38.460 0.355 0.000 1.147 217 Y HN 0.746 nan 8.280 nan 0.000 0.456 218 A N 7.453 130.273 122.820 -0.000 0.000 2.343 218 A HA 0.792 5.116 4.320 0.007 0.000 0.308 218 A C -1.641 175.832 177.584 -0.185 0.000 1.092 218 A CA -0.472 51.444 52.037 -0.202 0.000 0.751 218 A CB 0.365 19.309 19.000 -0.092 0.000 1.203 218 A HN 0.738 nan 8.150 nan 0.000 0.452 219 F N -0.430 119.271 119.950 -0.414 0.000 2.691 219 F HA 0.830 5.361 4.527 0.007 0.000 0.334 219 F C 0.929 176.650 175.800 -0.131 0.000 1.107 219 F CA -1.064 56.797 58.000 -0.232 0.000 0.991 219 F CB 0.733 39.584 39.000 -0.248 0.000 1.400 219 F HN 1.393 nan 8.300 nan 0.000 0.503 220 G N 0.849 109.684 108.800 0.059 0.000 2.221 220 G HA2 -0.245 3.719 3.960 0.007 0.000 0.265 220 G HA3 -0.245 3.719 3.960 0.007 0.000 0.265 220 G C -0.446 174.404 174.900 -0.084 0.000 1.041 220 G CA 0.123 45.203 45.100 -0.034 0.000 0.807 220 G HN 0.736 nan 8.290 nan 0.000 0.502 221 L N -0.565 120.629 121.223 -0.048 0.000 2.416 221 L HA 0.454 4.798 4.340 0.007 0.000 0.272 221 L C 1.112 177.964 176.870 -0.031 0.000 1.161 221 L CA -0.534 54.275 54.840 -0.051 0.000 0.845 221 L CB 0.932 42.973 42.059 -0.030 0.000 1.119 221 L HN 0.192 nan 8.230 nan 0.000 0.464 222 R N 3.262 123.738 120.500 -0.041 0.000 2.664 222 R HA 0.304 4.648 4.340 0.007 0.000 0.281 222 R C -1.261 175.021 176.300 -0.031 0.000 1.383 222 R CA -0.484 55.599 56.100 -0.029 0.000 1.563 222 R CB 0.063 30.344 30.300 -0.032 0.000 1.131 222 R HN 0.358 nan 8.270 nan 0.000 0.599 223 V N 2.759 122.658 119.914 -0.026 0.000 2.694 223 V HA 0.452 4.577 4.120 0.007 0.000 0.306 223 V C 0.600 176.678 176.094 -0.027 0.000 1.054 223 V CA 1.152 63.434 62.300 -0.030 0.000 1.161 223 V CB 0.453 32.263 31.823 -0.022 0.000 0.916 223 V HN 0.884 nan 8.190 nan 0.000 0.490 224 A N 6.306 129.105 122.820 -0.035 0.000 2.483 224 A HA 0.776 5.100 4.320 0.007 0.000 0.294 224 A C -3.194 174.370 177.584 -0.033 0.000 1.077 224 A CA -1.260 50.762 52.037 -0.025 0.000 0.633 224 A CB 0.997 19.987 19.000 -0.017 0.000 1.318 224 A HN 0.558 nan 8.150 nan 0.000 0.455 225 P HA 0.301 nan 4.420 nan 0.000 0.270 225 P C -0.160 177.109 177.300 -0.052 0.000 1.223 225 P CA 0.217 63.314 63.100 -0.004 0.000 0.785 225 P CB 0.593 32.333 31.700 0.067 0.000 0.923 226 S N 2.360 118.001 115.700 -0.098 0.000 2.617 226 S HA 0.370 4.844 4.470 0.007 0.000 0.269 226 S C -2.155 172.291 174.600 -0.257 0.000 1.292 226 S CA -0.989 57.071 58.200 -0.233 0.000 1.010 226 S CB -0.245 62.750 63.200 -0.341 0.000 0.944 226 S HN 0.345 nan 8.310 nan 0.000 0.536 227 P HA 0.131 nan 4.420 nan 0.000 0.269 227 P C 0.771 177.772 177.300 -0.500 0.000 1.217 227 P CA -0.154 62.692 63.100 -0.422 0.000 0.783 227 P CB 0.372 31.728 31.700 -0.574 0.000 0.898 228 L N 1.024 122.059 121.223 -0.313 0.000 2.042 228 L HA -0.170 4.174 4.340 0.007 0.000 0.210 228 L C 2.414 178.999 176.870 -0.475 0.000 1.076 228 L CA 1.556 56.196 54.840 -0.334 0.000 0.749 228 L CB -0.891 41.027 42.059 -0.235 0.000 0.893 228 L HN 0.642 nan 8.230 nan 0.000 0.432 229 W N -0.212 120.872 121.300 -0.361 0.000 2.363 229 W HA -0.249 4.415 4.660 0.007 0.000 0.296 229 W C 2.121 178.374 176.519 -0.443 0.000 1.212 229 W CA 1.038 58.140 57.345 -0.405 0.000 1.260 229 W CB -0.915 28.344 29.460 -0.335 0.000 1.131 229 W HN 0.214 nan 8.180 nan 0.000 0.530 230 M N 1.432 120.259 119.600 -1.287 0.000 2.156 230 M HA -0.177 4.307 4.480 0.007 0.000 0.264 230 M C 2.614 178.548 176.300 -0.610 0.000 1.067 230 M CA 1.845 56.456 55.300 -1.148 0.000 1.131 230 M CB -0.290 31.422 32.600 -1.481 0.000 1.368 230 M HN -0.030 nan 8.290 nan 0.000 0.416 231 Q N -0.248 119.241 119.800 -0.520 0.000 2.061 231 Q HA -0.254 4.090 4.340 0.007 0.000 0.204 231 Q C 2.165 178.021 176.000 -0.240 0.000 0.984 231 Q CA 1.944 57.574 55.803 -0.288 0.000 0.846 231 Q CB -0.421 28.334 28.738 0.029 0.000 0.902 231 Q HN 0.551 nan 8.270 nan 0.000 0.421 232 R N 0.596 120.692 120.500 -0.672 0.000 2.094 232 R HA -0.206 4.138 4.340 0.007 0.000 0.239 232 R C 2.244 178.495 176.300 -0.082 0.000 1.137 232 R CA 1.512 57.148 56.100 -0.773 0.000 0.943 232 R CB -0.352 29.246 30.300 -1.170 0.000 0.850 232 R HN 0.256 nan 8.270 nan 0.000 0.433 233 A N 1.076 123.801 122.820 -0.159 0.000 1.865 233 A HA -0.173 4.151 4.320 0.007 0.000 0.217 233 A C 2.271 179.957 177.584 0.169 0.000 1.191 233 A CA 1.568 53.571 52.037 -0.056 0.000 0.623 233 A CB -0.749 17.916 19.000 -0.559 0.000 0.826 233 A HN 0.385 nan 8.150 nan 0.000 0.444 234 L N -2.130 119.102 121.223 0.016 0.000 2.042 234 L HA -0.197 4.147 4.340 0.007 0.000 0.210 234 L C 2.564 179.526 176.870 0.153 0.000 1.076 234 L CA 1.399 56.290 54.840 0.085 0.000 0.749 234 L CB -0.571 41.409 42.059 -0.133 0.000 0.893 234 L HN 0.369 nan 8.230 nan 0.000 0.432 235 F N 0.127 120.213 119.950 0.227 0.000 2.102 235 F HA -0.208 4.323 4.527 0.007 0.000 0.298 235 F C 2.624 178.688 175.800 0.439 0.000 1.105 235 F CA 1.227 59.427 58.000 0.333 0.000 1.239 235 F CB -0.956 38.275 39.000 0.385 0.000 0.991 235 F HN 0.010 nan 8.300 nan 0.000 0.474 236 A N -0.321 122.939 122.820 0.735 0.000 1.978 236 A HA -0.032 4.292 4.320 0.007 0.000 0.220 236 A C 2.168 179.949 177.584 0.328 0.000 1.170 236 A CA 1.585 53.922 52.037 0.500 0.000 0.636 236 A CB -1.191 18.070 19.000 0.435 0.000 0.810 236 A HN 0.269 nan 8.150 nan 0.000 0.448 237 A N -1.904 121.126 122.820 0.350 0.000 2.302 237 A HA 0.434 4.758 4.320 0.007 0.000 0.219 237 A C 1.716 179.403 177.584 0.172 0.000 1.243 237 A CA 1.074 53.247 52.037 0.228 0.000 0.856 237 A CB -1.001 18.157 19.000 0.264 0.000 0.893 237 A HN 1.846 nan 8.150 nan 0.000 0.491 238 G N -1.633 107.299 108.800 0.219 0.000 2.176 238 G HA2 -0.253 3.711 3.960 0.007 0.000 0.253 238 G HA3 -0.253 3.711 3.960 0.007 0.000 0.253 238 G C 0.225 175.222 174.900 0.161 0.000 0.979 238 G CA 0.520 45.729 45.100 0.181 0.000 0.641 238 G HN 0.415 nan 8.290 nan 0.000 0.530 239 M N -0.398 119.285 119.600 0.140 0.000 2.573 239 M HA 0.538 5.022 4.480 0.007 0.000 0.309 239 M C 0.531 176.796 176.300 -0.057 0.000 1.202 239 M CA -0.799 54.532 55.300 0.051 0.000 0.975 239 M CB 1.784 34.400 32.600 0.028 0.000 1.600 239 M HN 0.165 nan 8.290 nan 0.000 0.479 240 R N 2.534 122.955 120.500 -0.131 0.000 2.387 240 R HA 0.482 4.826 4.340 0.007 0.000 0.314 240 R C -2.615 173.471 176.300 -0.357 0.000 0.958 240 R CA -1.542 54.375 56.100 -0.304 0.000 0.846 240 R CB 1.313 31.562 30.300 -0.084 0.000 1.147 240 R HN 0.322 nan 8.270 nan 0.000 0.447 241 P HA 0.010 nan 4.420 nan 0.000 0.268 241 P C -0.043 177.143 177.300 -0.190 0.000 1.205 241 P CA -0.189 62.719 63.100 -0.321 0.000 0.771 241 P CB 0.956 32.459 31.700 -0.328 0.000 0.858 242 I N 1.032 121.512 120.570 -0.149 0.000 3.570 242 I HA 0.107 4.281 4.170 0.007 0.000 0.270 242 I C 0.801 176.865 176.117 -0.088 0.000 1.162 242 I CA 0.996 62.227 61.300 -0.116 0.000 1.413 242 I CB -0.866 37.066 38.000 -0.112 0.000 1.437 242 I HN 0.544 nan 8.210 nan 0.000 0.457 243 N N -1.429 117.212 118.700 -0.098 0.000 3.836 243 N HA 0.070 4.814 4.740 0.007 0.000 0.229 243 N C -0.029 175.416 175.510 -0.109 0.000 1.375 243 N CA -0.513 52.485 53.050 -0.087 0.000 0.838 243 N CB 0.234 38.681 38.487 -0.066 0.000 1.447 243 N HN -0.283 nan 8.380 nan 0.000 0.458 244 N N -0.355 118.282 118.700 -0.104 0.000 2.067 244 N HA -0.249 4.495 4.740 0.007 0.000 0.172 244 N C 1.461 176.900 175.510 -0.118 0.000 0.861 244 N CA 2.678 55.657 53.050 -0.117 0.000 0.874 244 N CB -0.967 37.467 38.487 -0.088 0.000 1.002 244 N HN 0.441 nan 8.380 nan 0.000 0.932 245 V N 0.891 120.746 119.914 -0.097 0.000 2.255 245 V HA -0.185 3.939 4.120 0.007 0.000 0.247 245 V C 2.554 178.583 176.094 -0.108 0.000 1.051 245 V CA 1.644 63.887 62.300 -0.095 0.000 1.018 245 V CB -0.686 31.085 31.823 -0.087 0.000 0.641 245 V HN 0.159 nan 8.190 nan 0.000 0.445 246 V N 0.502 120.345 119.914 -0.119 0.000 2.332 246 V HA -0.295 3.830 4.120 0.007 0.000 0.248 246 V C 2.262 178.299 176.094 -0.096 0.000 1.055 246 V CA 2.366 64.591 62.300 -0.125 0.000 1.038 246 V CB -0.830 30.923 31.823 -0.118 0.000 0.651 246 V HN 0.564 nan 8.190 nan 0.000 0.450 247 D N -0.152 120.183 120.400 -0.108 0.000 2.117 247 D HA -0.133 4.511 4.640 0.007 0.000 0.197 247 D C 2.145 178.410 176.300 -0.058 0.000 0.987 247 D CA 1.161 55.095 54.000 -0.109 0.000 0.829 247 D CB -0.481 40.207 40.800 -0.187 0.000 0.961 247 D HN 0.270 nan 8.370 nan 0.000 0.460 248 V N 1.153 121.020 119.914 -0.078 0.000 2.332 248 V HA -0.269 3.855 4.120 0.007 0.000 0.248 248 V C 2.651 178.783 176.094 0.062 0.000 1.055 248 V CA 2.280 64.569 62.300 -0.019 0.000 1.038 248 V CB -1.018 30.778 31.823 -0.045 0.000 0.651 248 V HN 0.441 nan 8.190 nan 0.000 0.450 249 T N -2.194 112.367 114.554 0.011 0.000 2.867 249 T HA -0.145 4.209 4.350 0.007 0.000 0.268 249 T C 1.686 176.420 174.700 0.057 0.000 1.057 249 T CA 1.443 63.557 62.100 0.023 0.000 1.136 249 T CB -0.380 68.468 68.868 -0.033 0.000 0.874 249 T HN 0.437 nan 8.240 nan 0.000 0.466 250 N N 0.275 119.013 118.700 0.063 0.000 2.250 250 N HA 0.011 4.756 4.740 0.007 0.000 0.181 250 N C 1.524 177.132 175.510 0.163 0.000 1.017 250 N CA 0.925 54.025 53.050 0.083 0.000 0.866 250 N CB -0.523 37.997 38.487 0.055 0.000 0.985 250 N HN 0.484 nan 8.380 nan 0.000 0.429 251 Y N 2.221 122.571 120.300 0.083 0.000 2.097 251 Y HA -0.201 4.353 4.550 0.007 0.000 0.282 251 Y C 2.310 178.362 175.900 0.253 0.000 1.152 251 Y CA 1.402 59.621 58.100 0.199 0.000 1.136 251 Y CB -0.392 38.099 38.460 0.052 0.000 0.975 251 Y HN -0.222 nan 8.280 nan 0.000 0.498 252 V N 0.826 120.906 119.914 0.277 0.000 2.407 252 V HA -0.373 3.751 4.120 0.007 0.000 0.248 252 V C 2.466 178.579 176.094 0.032 0.000 1.055 252 V CA 2.140 64.533 62.300 0.155 0.000 1.049 252 V CB -0.751 31.154 31.823 0.136 0.000 0.662 252 V HN 0.618 nan 8.190 nan 0.000 0.455 253 M N -0.335 119.282 119.600 0.027 0.000 2.086 253 M HA -0.179 4.306 4.480 0.007 0.000 0.261 253 M C 2.074 178.323 176.300 -0.086 0.000 1.067 253 M CA 2.086 57.365 55.300 -0.034 0.000 1.116 253 M CB -0.220 32.370 32.600 -0.016 0.000 1.348 253 M HN 0.245 nan 8.290 nan 0.000 0.407 254 L N -0.082 121.099 121.223 -0.069 0.000 2.275 254 L HA -0.172 4.173 4.340 0.007 0.000 0.215 254 L C 2.450 179.126 176.870 -0.322 0.000 1.119 254 L CA 1.482 56.210 54.840 -0.186 0.000 0.790 254 L CB -0.840 41.131 42.059 -0.147 0.000 0.919 254 L HN 0.543 nan 8.230 nan 0.000 0.443 255 E N 1.756 121.824 120.200 -0.219 0.000 2.112 255 E HA -0.147 4.207 4.350 0.007 0.000 0.190 255 E C 1.342 177.763 176.600 -0.297 0.000 0.979 255 E CA 0.578 56.825 56.400 -0.254 0.000 0.814 255 E CB 0.332 29.993 29.700 -0.065 0.000 0.762 255 E HN 0.502 nan 8.360 nan 0.000 0.460 256 R N -0.773 119.601 120.500 -0.210 0.000 2.688 256 R HA 0.531 4.875 4.340 0.007 0.000 0.396 256 R C -0.082 176.111 176.300 -0.177 0.000 1.081 256 R CA 0.167 56.141 56.100 -0.211 0.000 1.093 256 R CB 0.443 30.640 30.300 -0.171 0.000 1.338 256 R HN 0.099 nan 8.270 nan 0.000 0.613 257 A N 1.268 123.975 122.820 -0.189 0.000 2.462 257 A HA -0.259 4.065 4.320 0.007 0.000 0.294 257 A C 0.079 177.546 177.584 -0.196 0.000 1.461 257 A CA 1.641 53.565 52.037 -0.188 0.000 0.765 257 A CB -1.163 17.734 19.000 -0.172 0.000 1.071 257 A HN 0.688 nan 8.150 nan 0.000 0.401 258 Q N -0.808 118.887 119.800 -0.174 0.000 3.021 258 Q HA 0.503 4.847 4.340 0.007 0.000 0.234 258 Q C -2.998 172.933 176.000 -0.116 0.000 0.930 258 Q CA -1.815 53.896 55.803 -0.154 0.000 0.714 258 Q CB 1.267 29.957 28.738 -0.080 0.000 1.325 258 Q HN 0.339 nan 8.270 nan 0.000 0.473 259 P HA 0.165 nan 4.420 nan 0.000 0.266 259 P C -0.800 176.581 177.300 0.135 0.000 1.195 259 P CA 0.377 63.460 63.100 -0.028 0.000 0.768 259 P CB 0.458 32.120 31.700 -0.065 0.000 0.838 260 M N 0.739 120.417 119.600 0.131 0.000 2.569 260 M HA 0.581 5.065 4.480 0.007 0.000 0.279 260 M C -1.524 174.859 176.300 0.138 0.000 1.253 260 M CA -0.708 54.670 55.300 0.131 0.000 0.867 260 M CB 3.104 35.739 32.600 0.059 0.000 1.727 260 M HN 0.267 nan 8.290 nan 0.000 0.467 261 H N 0.827 119.889 119.070 -0.013 0.000 2.865 261 H HA 0.712 5.272 4.556 0.007 0.000 0.362 261 H C -2.055 173.137 175.328 -0.227 0.000 1.114 261 H CA -0.332 55.619 56.048 -0.162 0.000 1.208 261 H CB 2.297 31.893 29.762 -0.277 0.000 1.727 261 H HN 1.046 nan 8.280 nan 0.000 0.534 262 A N 5.323 127.725 122.820 -0.697 0.000 2.252 262 A HA 0.469 4.793 4.320 0.007 0.000 0.309 262 A C -1.164 176.131 177.584 -0.481 0.000 1.285 262 A CA -0.414 51.387 52.037 -0.393 0.000 0.900 262 A CB -0.326 18.524 19.000 -0.250 0.000 1.157 262 A HN 0.419 nan 8.150 nan 0.000 0.536 263 F N 1.663 121.614 119.950 0.001 0.000 2.408 263 F HA 0.230 4.762 4.527 0.007 0.000 0.344 263 F C 0.767 176.608 175.800 0.070 0.000 1.112 263 F CA -0.363 57.690 58.000 0.087 0.000 1.096 263 F CB 1.302 40.372 39.000 0.116 0.000 1.129 263 F HN 0.576 nan 8.300 nan 0.000 0.486 264 D N 3.870 124.456 120.400 0.309 0.000 2.371 264 D HA 0.025 4.669 4.640 0.007 0.000 0.256 264 D C 1.166 177.629 176.300 0.270 0.000 1.193 264 D CA 0.305 54.473 54.000 0.280 0.000 0.881 264 D CB 0.945 41.979 40.800 0.390 0.000 1.143 264 D HN 0.600 nan 8.370 nan 0.000 0.473 265 L N 4.015 125.322 121.223 0.141 0.000 2.349 265 L HA -0.170 4.174 4.340 0.007 0.000 0.220 265 L C 2.363 179.227 176.870 -0.009 0.000 1.130 265 L CA 0.742 55.611 54.840 0.048 0.000 0.791 265 L CB -0.081 42.013 42.059 0.059 0.000 0.918 265 L HN 0.375 nan 8.230 nan 0.000 0.444 266 R N -0.541 119.915 120.500 -0.073 0.000 2.105 266 R HA -0.174 4.171 4.340 0.007 0.000 0.239 266 R C 1.679 177.692 176.300 -0.479 0.000 1.135 266 R CA 1.513 57.399 56.100 -0.356 0.000 0.967 266 R CB -0.276 29.623 30.300 -0.667 0.000 0.861 266 R HN 0.273 nan 8.270 nan 0.000 0.442 267 F N -1.077 118.885 119.950 0.021 0.000 2.749 267 F HA 0.097 4.628 4.527 0.007 0.000 0.300 267 F C 1.853 177.711 175.800 0.096 0.000 1.103 267 F CA -0.125 57.889 58.000 0.023 0.000 1.342 267 F CB 0.182 39.215 39.000 0.056 0.000 1.098 267 F HN -0.245 nan 8.300 nan 0.000 0.586 268 V N -0.074 119.932 119.914 0.154 0.000 2.453 268 V HA 0.073 4.197 4.120 0.007 0.000 0.247 268 V C 1.906 177.994 176.094 -0.010 0.000 1.048 268 V CA 1.279 63.593 62.300 0.023 0.000 1.049 268 V CB -1.181 30.534 31.823 -0.181 0.000 0.672 268 V HN 0.558 nan 8.190 nan 0.000 0.457 269 G N 0.209 108.997 108.800 -0.020 0.000 2.498 269 G HA2 -0.308 3.656 3.960 0.007 0.000 0.251 269 G HA3 -0.308 3.656 3.960 0.007 0.000 0.251 269 G C 0.578 175.333 174.900 -0.241 0.000 1.170 269 G CA 0.376 45.440 45.100 -0.061 0.000 0.944 269 G HN 0.353 nan 8.290 nan 0.000 0.567 270 E N 0.989 120.909 120.200 -0.466 0.000 2.208 270 E HA 0.340 4.694 4.350 0.007 0.000 0.193 270 E C 1.216 177.340 176.600 -0.793 0.000 0.988 270 E CA 0.801 56.870 56.400 -0.551 0.000 0.828 270 E CB 0.080 29.487 29.700 -0.489 0.000 0.763 270 E HN 1.202 nan 8.360 nan 0.000 0.478 271 G N 0.016 108.031 108.800 -1.309 0.000 2.356 271 G HA2 0.319 4.283 3.960 0.007 0.000 0.294 271 G HA3 0.319 4.283 3.960 0.007 0.000 0.294 271 G C -1.579 172.831 174.900 -0.817 0.000 1.423 271 G CA -0.913 43.576 45.100 -1.017 0.000 0.806 271 G HN -0.091 nan 8.290 nan 0.000 0.527 272 I N 1.041 121.460 120.570 -0.252 0.000 2.385 272 I HA 0.627 4.802 4.170 0.007 0.000 0.294 272 I C 0.536 176.740 176.117 0.146 0.000 0.988 272 I CA -0.670 60.569 61.300 -0.101 0.000 1.265 272 I CB 1.144 39.119 38.000 -0.041 0.000 1.388 272 I HN 0.758 nan 8.210 nan 0.000 0.480 273 A N 6.883 129.761 122.820 0.097 0.000 2.332 273 A HA 0.599 4.923 4.320 0.007 0.000 0.300 273 A C -0.700 176.813 177.584 -0.117 0.000 1.153 273 A CA -0.503 51.574 52.037 0.067 0.000 0.764 273 A CB 1.048 20.116 19.000 0.114 0.000 1.174 273 A HN 0.387 nan 8.150 nan 0.000 0.467 274 V N 4.938 124.715 119.914 -0.228 0.000 2.356 274 V HA 0.452 4.576 4.120 0.007 0.000 0.258 274 V C 0.550 176.558 176.094 -0.143 0.000 1.065 274 V CA 0.047 62.196 62.300 -0.252 0.000 0.935 274 V CB -0.511 31.037 31.823 -0.459 0.000 1.061 274 V HN 1.032 nan 8.190 nan 0.000 0.484 275 R N 3.417 123.856 120.500 -0.103 0.000 2.846 275 R HA 0.814 5.158 4.340 0.007 0.000 0.263 275 R C -0.798 175.467 176.300 -0.058 0.000 1.080 275 R CA -1.317 54.736 56.100 -0.078 0.000 0.961 275 R CB 1.485 31.735 30.300 -0.084 0.000 1.231 275 R HN 0.311 nan 8.270 nan 0.000 0.465 276 R N 0.215 120.690 120.500 -0.042 0.000 2.531 276 R HA 0.473 4.817 4.340 0.007 0.000 0.273 276 R C -0.571 175.717 176.300 -0.020 0.000 1.070 276 R CA 0.318 56.405 56.100 -0.021 0.000 1.112 276 R CB 1.265 31.561 30.300 -0.006 0.000 1.049 276 R HN 0.761 nan 8.270 nan 0.000 0.508 277 A N 3.146 125.966 122.820 -0.000 0.000 2.354 277 A HA 0.362 4.687 4.320 0.007 0.000 0.269 277 A C -0.390 177.194 177.584 -0.001 0.000 1.109 277 A CA -0.496 51.543 52.037 0.003 0.000 0.800 277 A CB 0.395 19.409 19.000 0.024 0.000 1.045 277 A HN 0.499 nan 8.150 nan 0.000 0.489 278 R N 2.223 122.719 120.500 -0.008 0.000 2.438 278 R HA 0.141 4.485 4.340 0.007 0.000 0.287 278 R C -0.189 176.100 176.300 -0.018 0.000 1.077 278 R CA -0.123 55.967 56.100 -0.016 0.000 1.034 278 R CB 0.301 30.593 30.300 -0.012 0.000 0.993 278 R HN 0.807 nan 8.270 nan 0.000 0.459 279 E N 0.404 120.580 120.200 -0.040 0.000 2.568 279 E HA -0.035 4.319 4.350 0.007 0.000 0.262 279 E C 0.955 177.539 176.600 -0.027 0.000 0.961 279 E CA 1.264 57.630 56.400 -0.057 0.000 0.945 279 E CB 0.240 29.890 29.700 -0.082 0.000 0.924 279 E HN 0.833 nan 8.360 nan 0.000 0.467 280 G N 2.973 111.763 108.800 -0.017 0.000 2.320 280 G HA2 -0.344 3.620 3.960 0.007 0.000 0.242 280 G HA3 -0.344 3.620 3.960 0.007 0.000 0.242 280 G C 0.168 175.079 174.900 0.019 0.000 1.033 280 G CA 0.157 45.258 45.100 0.001 0.000 0.620 280 G HN 0.616 nan 8.290 nan 0.000 0.517 281 E N 1.550 121.763 120.200 0.022 0.000 2.760 281 E HA 0.119 4.474 4.350 0.007 0.000 0.268 281 E C 0.807 177.433 176.600 0.043 0.000 0.935 281 E CA 0.699 57.119 56.400 0.034 0.000 0.960 281 E CB 0.241 29.960 29.700 0.031 0.000 0.931 281 E HN 0.543 nan 8.360 nan 0.000 0.483 282 R N 2.402 122.929 120.500 0.044 0.000 2.758 282 R HA 0.704 5.048 4.340 0.007 0.000 0.265 282 R C -0.332 175.992 176.300 0.041 0.000 1.016 282 R CA -0.894 55.232 56.100 0.043 0.000 1.040 282 R CB 1.294 31.616 30.300 0.037 0.000 1.152 282 R HN 0.402 nan 8.270 nan 0.000 0.503 283 L N 1.303 122.544 121.223 0.031 0.000 2.676 283 L HA 0.258 4.602 4.340 0.007 0.000 0.262 283 L C -1.441 175.434 176.870 0.007 0.000 0.932 283 L CA -0.575 54.276 54.840 0.019 0.000 0.932 283 L CB 2.036 44.097 42.059 0.004 0.000 1.355 283 L HN 0.617 nan 8.230 nan 0.000 0.421 284 K N 3.554 123.954 120.400 0.000 0.000 2.250 284 K HA 0.357 4.681 4.320 0.007 0.000 0.280 284 K C 0.041 176.630 176.600 -0.019 0.000 1.098 284 K CA -0.330 55.953 56.287 -0.007 0.000 0.916 284 K CB 0.771 33.264 32.500 -0.011 0.000 1.209 284 K HN 0.649 nan 8.250 nan 0.000 0.461 285 T N 0.812 115.353 114.554 -0.021 0.000 2.828 285 T HA 0.077 4.431 4.350 0.007 0.000 0.290 285 T C 1.531 176.213 174.700 -0.030 0.000 1.019 285 T CA -0.754 61.325 62.100 -0.035 0.000 1.031 285 T CB 0.793 69.634 68.868 -0.045 0.000 1.001 285 T HN 0.629 nan 8.240 nan 0.000 0.531 286 L N 0.829 122.030 121.223 -0.037 0.000 2.197 286 L HA -0.168 4.176 4.340 0.007 0.000 0.215 286 L C 1.722 178.579 176.870 -0.020 0.000 1.095 286 L CA 1.798 56.621 54.840 -0.028 0.000 0.764 286 L CB -0.528 41.517 42.059 -0.024 0.000 0.897 286 L HN 0.857 nan 8.230 nan 0.000 0.436 287 D N -1.194 119.196 120.400 -0.016 0.000 2.323 287 D HA 0.060 4.704 4.640 0.007 0.000 0.239 287 D C 1.417 177.716 176.300 -0.001 0.000 1.129 287 D CA 0.642 54.639 54.000 -0.006 0.000 0.865 287 D CB -0.282 40.518 40.800 0.000 0.000 0.913 287 D HN 0.263 nan 8.370 nan 0.000 0.517 288 G N -0.604 108.192 108.800 -0.006 0.000 2.196 288 G HA2 -0.300 3.664 3.960 0.007 0.000 0.268 288 G HA3 -0.300 3.664 3.960 0.007 0.000 0.268 288 G C 0.256 175.158 174.900 0.003 0.000 0.975 288 G CA 0.412 45.511 45.100 -0.002 0.000 0.648 288 G HN 0.429 nan 8.290 nan 0.000 0.538 289 V N 0.839 120.757 119.914 0.005 0.000 2.488 289 V HA 0.454 4.578 4.120 0.007 0.000 0.277 289 V C 0.614 176.716 176.094 0.014 0.000 1.046 289 V CA -0.344 61.964 62.300 0.013 0.000 0.986 289 V CB 1.596 33.431 31.823 0.020 0.000 0.989 289 V HN 0.398 nan 8.190 nan 0.000 0.475 290 E N 5.416 125.627 120.200 0.019 0.000 2.223 290 E HA 0.377 4.732 4.350 0.007 0.000 0.282 290 E C -0.111 176.511 176.600 0.037 0.000 1.046 290 E CA 0.053 56.466 56.400 0.021 0.000 0.857 290 E CB 0.464 30.175 29.700 0.019 0.000 1.055 290 E HN 0.589 nan 8.360 nan 0.000 0.409 291 R N 2.111 122.638 120.500 0.045 0.000 2.939 291 R HA 0.660 5.005 4.340 0.007 0.000 0.254 291 R C -0.749 175.603 176.300 0.086 0.000 1.123 291 R CA -0.951 55.198 56.100 0.083 0.000 1.020 291 R CB 2.010 32.372 30.300 0.103 0.000 1.206 291 R HN 0.363 nan 8.270 nan 0.000 0.491 292 T N 1.737 116.369 114.554 0.130 0.000 2.890 292 T HA 0.377 4.731 4.350 0.007 0.000 0.295 292 T C -0.323 174.496 174.700 0.197 0.000 0.993 292 T CA -0.693 61.475 62.100 0.112 0.000 0.979 292 T CB 0.732 69.641 68.868 0.068 0.000 0.967 292 T HN 0.191 nan 8.240 nan 0.000 0.441 293 L N 3.212 124.531 121.223 0.160 0.000 2.417 293 L HA 0.388 4.732 4.340 0.007 0.000 0.268 293 L C 0.728 177.708 176.870 0.182 0.000 1.158 293 L CA -0.883 54.080 54.840 0.205 0.000 0.819 293 L CB 0.413 42.529 42.059 0.096 0.000 1.112 293 L HN 0.584 nan 8.230 nan 0.000 0.458 294 H N 5.039 124.184 119.070 0.125 0.000 2.473 294 H HA 0.210 4.771 4.556 0.007 0.000 0.327 294 H C -1.991 173.361 175.328 0.039 0.000 1.105 294 H CA -2.198 53.885 56.048 0.059 0.000 1.280 294 H CB 2.162 31.954 29.762 0.050 0.000 1.450 294 H HN 0.324 nan 8.280 nan 0.000 0.492 295 P HA -0.133 nan 4.420 nan 0.000 0.227 295 P C 0.658 178.069 177.300 0.186 0.000 1.145 295 P CA 1.069 64.188 63.100 0.031 0.000 0.769 295 P CB 0.274 31.912 31.700 -0.102 0.000 0.769 296 E N -0.556 119.944 120.200 0.499 0.000 2.481 296 E HA 0.020 4.374 4.350 0.007 0.000 0.198 296 E C -0.106 176.549 176.600 0.092 0.000 1.027 296 E CA -0.239 56.299 56.400 0.231 0.000 0.900 296 E CB 0.167 29.934 29.700 0.112 0.000 0.993 296 E HN 0.157 nan 8.360 nan 0.000 0.482 297 D N 1.209 121.681 120.400 0.119 0.000 2.312 297 D HA 0.085 4.729 4.640 0.007 0.000 0.252 297 D C -0.182 176.104 176.300 -0.023 0.000 1.150 297 D CA 0.000 54.019 54.000 0.031 0.000 0.870 297 D CB 1.198 42.032 40.800 0.056 0.000 1.153 297 D HN 0.189 nan 8.370 nan 0.000 0.457 298 L N 2.565 123.737 121.223 -0.084 0.000 2.380 298 L HA 0.233 4.577 4.340 0.007 0.000 0.273 298 L C -0.549 176.234 176.870 -0.145 0.000 1.138 298 L CA -0.218 54.553 54.840 -0.115 0.000 0.832 298 L CB 0.950 42.903 42.059 -0.177 0.000 1.124 298 L HN 0.043 nan 8.230 nan 0.000 0.454 299 V N 5.124 124.974 119.914 -0.107 0.000 2.789 299 V HA 0.392 4.516 4.120 0.007 0.000 0.311 299 V C -0.141 175.908 176.094 -0.075 0.000 1.073 299 V CA -0.773 61.473 62.300 -0.091 0.000 0.921 299 V CB 2.466 34.254 31.823 -0.059 0.000 1.009 299 V HN 0.435 nan 8.190 nan 0.000 0.426 300 I N 3.652 124.196 120.570 -0.043 0.000 2.297 300 I HA 0.638 4.812 4.170 0.007 0.000 0.291 300 I C 0.479 176.516 176.117 -0.133 0.000 1.033 300 I CA 0.206 61.474 61.300 -0.053 0.000 1.253 300 I CB 0.834 38.865 38.000 0.052 0.000 1.396 300 I HN 0.774 nan 8.210 nan 0.000 0.476 301 A N 5.071 127.801 122.820 -0.151 0.000 2.386 301 A HA 0.961 5.285 4.320 0.007 0.000 0.308 301 A C 0.045 177.486 177.584 -0.239 0.000 1.128 301 A CA -0.466 51.465 52.037 -0.176 0.000 0.789 301 A CB 1.722 20.631 19.000 -0.150 0.000 1.325 301 A HN 0.712 nan 8.150 nan 0.000 0.437 302 G N -1.550 106.984 108.800 -0.444 0.000 2.685 302 G HA2 0.692 4.656 3.960 0.007 0.000 0.298 302 G HA3 0.692 4.656 3.960 0.007 0.000 0.298 302 G C -1.163 173.164 174.900 -0.955 0.000 1.277 302 G CA -0.394 44.380 45.100 -0.543 0.000 0.986 302 G HN 1.645 nan 8.290 nan 0.000 0.487 303 W N -0.365 120.553 121.300 -0.636 0.000 3.167 303 W HA 0.814 5.478 4.660 0.007 0.000 0.324 303 W C -1.131 175.403 176.519 0.025 0.000 1.230 303 W CA -1.552 55.530 57.345 -0.439 0.000 1.184 303 W CB 1.554 30.860 29.460 -0.257 0.000 1.414 303 W HN 0.615 nan 8.180 nan 0.000 0.551 304 R N 3.175 123.922 120.500 0.412 0.000 2.510 304 R HA 0.502 4.846 4.340 0.007 0.000 0.294 304 R C 0.774 177.255 176.300 0.302 0.000 1.056 304 R CA 0.270 56.553 56.100 0.305 0.000 0.918 304 R CB 1.187 31.668 30.300 0.302 0.000 1.187 304 R HN 1.443 nan 8.270 nan 0.000 0.437 305 G N 3.117 112.081 108.800 0.273 0.000 2.596 305 G HA2 -0.329 3.635 3.960 0.007 0.000 0.304 305 G HA3 -0.329 3.635 3.960 0.007 0.000 0.304 305 G C 0.178 175.186 174.900 0.181 0.000 1.189 305 G CA 0.359 45.575 45.100 0.193 0.000 0.986 305 G HN 0.601 nan 8.290 nan 0.000 0.548 306 E N 2.675 122.949 120.200 0.124 0.000 2.394 306 E HA 0.253 4.607 4.350 0.007 0.000 0.191 306 E C 0.548 177.204 176.600 0.094 0.000 1.044 306 E CA 0.298 56.744 56.400 0.076 0.000 0.939 306 E CB 0.359 30.086 29.700 0.046 0.000 1.089 306 E HN 0.630 nan 8.360 nan 0.000 0.456 307 E N 0.196 120.498 120.200 0.170 0.000 2.199 307 E HA 0.367 4.721 4.350 0.007 0.000 0.269 307 E C -0.909 175.813 176.600 0.204 0.000 0.899 307 E CA -0.458 56.065 56.400 0.205 0.000 0.772 307 E CB 2.122 31.985 29.700 0.273 0.000 1.155 307 E HN -0.174 nan 8.360 nan 0.000 0.408 308 S N 3.043 118.803 115.700 0.100 0.000 2.519 308 S HA 0.666 5.140 4.470 0.007 0.000 0.309 308 S C -1.379 173.199 174.600 -0.037 0.000 1.100 308 S CA -0.710 57.425 58.200 -0.109 0.000 1.059 308 S CB 0.177 63.325 63.200 -0.087 0.000 1.008 308 S HN 0.431 nan 8.310 nan 0.000 0.478 309 F N 2.298 122.295 119.950 0.079 0.000 2.565 309 F HA 0.744 5.275 4.527 0.007 0.000 0.313 309 F C -3.048 172.770 175.800 0.030 0.000 1.091 309 F CA -2.853 55.176 58.000 0.049 0.000 0.915 309 F CB 0.356 39.389 39.000 0.055 0.000 1.208 309 F HN 0.245 nan 8.300 nan 0.000 0.453 310 P HA 0.272 nan 4.420 nan 0.000 0.271 310 P C 0.015 177.397 177.300 0.137 0.000 1.216 310 P CA -0.100 63.049 63.100 0.082 0.000 0.776 310 P CB 1.217 32.953 31.700 0.061 0.000 0.881 311 L N 0.970 122.238 121.223 0.074 0.000 2.685 311 L HA 0.447 4.791 4.340 0.007 0.000 0.235 311 L C 1.036 178.045 176.870 0.232 0.000 1.070 311 L CA 0.343 55.264 54.840 0.136 0.000 0.888 311 L CB 0.315 42.337 42.059 -0.063 0.000 1.203 311 L HN 0.548 nan 8.230 nan 0.000 0.499 312 G N -0.403 108.483 108.800 0.144 0.000 2.601 312 G HA2 0.383 4.347 3.960 0.007 0.000 0.291 312 G HA3 0.383 4.347 3.960 0.007 0.000 0.291 312 G C -1.760 173.137 174.900 -0.006 0.000 1.456 312 G CA -0.576 44.582 45.100 0.096 0.000 0.804 312 G HN -0.149 nan 8.290 nan 0.000 0.499 313 L N 2.178 123.354 121.223 -0.080 0.000 2.356 313 L HA 0.485 4.829 4.340 0.007 0.000 0.282 313 L C 1.337 178.093 176.870 -0.190 0.000 1.132 313 L CA -0.495 54.258 54.840 -0.146 0.000 0.923 313 L CB 0.444 42.392 42.059 -0.185 0.000 1.278 313 L HN 0.812 nan 8.230 nan 0.000 0.436 314 A N 3.228 125.899 122.820 -0.248 0.000 2.600 314 A HA 0.203 4.528 4.320 0.007 0.000 0.253 314 A C 1.497 178.596 177.584 -0.810 0.000 0.997 314 A CA 0.895 52.617 52.037 -0.524 0.000 0.820 314 A CB -0.384 18.192 19.000 -0.706 0.000 0.888 314 A HN 1.183 nan 8.150 nan 0.000 0.508 315 G N 0.909 109.315 108.800 -0.656 0.000 2.196 315 G HA2 -0.255 3.709 3.960 0.007 0.000 0.268 315 G HA3 -0.255 3.709 3.960 0.007 0.000 0.268 315 G C 0.720 175.650 174.900 0.050 0.000 0.975 315 G CA 0.934 45.824 45.100 -0.350 0.000 0.648 315 G HN 1.434 nan 8.290 nan 0.000 0.538 316 V N -1.071 118.816 119.914 -0.045 0.000 3.054 316 V HA 0.666 4.790 4.120 0.007 0.000 0.227 316 V C 0.609 176.702 176.094 -0.001 0.000 1.252 316 V CA 1.723 64.026 62.300 0.006 0.000 1.279 316 V CB 0.763 32.550 31.823 -0.061 0.000 1.118 316 V HN 0.528 nan 8.190 nan 0.000 0.504 317 M N -0.384 119.178 119.600 -0.064 0.000 2.373 317 M HA 0.579 5.063 4.480 0.007 0.000 0.290 317 M C -0.460 175.740 176.300 -0.166 0.000 1.143 317 M CA -0.273 54.974 55.300 -0.088 0.000 0.949 317 M CB 1.798 34.360 32.600 -0.063 0.000 1.756 317 M HN 0.314 nan 8.290 nan 0.000 0.494 318 G N 1.693 110.306 108.800 -0.312 0.000 2.599 318 G HA2 0.552 4.517 3.960 0.007 0.000 0.264 318 G HA3 0.552 4.517 3.960 0.007 0.000 0.264 318 G C 0.087 174.879 174.900 -0.181 0.000 1.200 318 G CA -0.173 44.643 45.100 -0.473 0.000 0.896 318 G HN 0.894 nan 8.290 nan 0.000 0.536 319 G N -1.523 107.239 108.800 -0.063 0.000 2.539 319 G HA2 0.496 4.460 3.960 0.007 0.000 0.258 319 G HA3 0.496 4.460 3.960 0.007 0.000 0.258 319 G C 1.075 175.953 174.900 -0.036 0.000 1.202 319 G CA 0.498 45.590 45.100 -0.013 0.000 0.851 319 G HN 0.961 nan 8.290 nan 0.000 0.556 320 A N 0.120 122.908 122.820 -0.053 0.000 1.929 320 A HA 0.018 4.343 4.320 0.007 0.000 0.216 320 A C 2.009 179.517 177.584 -0.126 0.000 1.176 320 A CA 1.788 53.785 52.037 -0.066 0.000 0.628 320 A CB -0.388 18.581 19.000 -0.052 0.000 0.816 320 A HN 0.767 nan 8.150 nan 0.000 0.444 321 E N 0.522 120.600 120.200 -0.204 0.000 2.150 321 E HA -0.133 4.221 4.350 0.007 0.000 0.193 321 E C 1.646 177.748 176.600 -0.830 0.000 0.985 321 E CA 1.435 57.568 56.400 -0.446 0.000 0.814 321 E CB -0.031 29.408 29.700 -0.434 0.000 0.752 321 E HN 0.654 nan 8.360 nan 0.000 0.466 322 S N 0.327 115.737 115.700 -0.484 0.000 2.548 322 S HA 0.080 4.554 4.470 0.007 0.000 0.215 322 S C 0.606 175.196 174.600 -0.016 0.000 0.976 322 S CA -0.340 57.698 58.200 -0.269 0.000 0.908 322 S CB 0.217 63.539 63.200 0.204 0.000 0.781 322 S HN 0.147 nan 8.310 nan 0.000 0.519 323 E N 2.240 122.411 120.200 -0.048 0.000 2.653 323 E HA -0.015 4.339 4.350 0.007 0.000 0.264 323 E C -0.465 176.118 176.600 -0.028 0.000 0.949 323 E CA 0.295 56.678 56.400 -0.028 0.000 0.953 323 E CB 0.597 30.278 29.700 -0.032 0.000 0.925 323 E HN 0.103 nan 8.360 nan 0.000 0.475 324 V N 5.957 125.826 119.914 -0.076 0.000 2.508 324 V HA 0.113 4.237 4.120 0.007 0.000 0.281 324 V C 0.886 176.965 176.094 -0.026 0.000 1.041 324 V CA 0.520 62.796 62.300 -0.040 0.000 1.016 324 V CB 0.697 32.467 31.823 -0.090 0.000 0.984 324 V HN 0.572 nan 8.190 nan 0.000 0.478 325 R N 2.661 123.167 120.500 0.010 0.000 2.987 325 R HA 0.426 4.770 4.340 0.007 0.000 0.248 325 R C 0.677 176.981 176.300 0.008 0.000 1.264 325 R CA -0.956 55.148 56.100 0.006 0.000 1.026 325 R CB 0.814 31.128 30.300 0.023 0.000 1.286 325 R HN 0.517 nan 8.270 nan 0.000 0.483 326 E N 0.869 121.072 120.200 0.004 0.000 2.130 326 E HA -0.189 4.165 4.350 0.007 0.000 0.196 326 E C 0.648 177.254 176.600 0.010 0.000 0.998 326 E CA 1.528 57.929 56.400 0.002 0.000 0.806 326 E CB -0.073 29.627 29.700 -0.000 0.000 0.738 326 E HN 0.411 nan 8.360 nan 0.000 0.459 327 D N -0.028 120.385 120.400 0.021 0.000 2.349 327 D HA 0.003 4.647 4.640 0.007 0.000 0.224 327 D C -0.148 176.171 176.300 0.032 0.000 1.029 327 D CA 0.364 54.379 54.000 0.024 0.000 0.879 327 D CB -0.087 40.730 40.800 0.027 0.000 0.906 327 D HN 0.076 nan 8.370 nan 0.000 0.528 328 T N 0.903 115.481 114.554 0.039 0.000 2.916 328 T HA 0.082 4.437 4.350 0.007 0.000 0.303 328 T C 1.324 176.048 174.700 0.040 0.000 1.025 328 T CA 0.136 62.267 62.100 0.051 0.000 1.142 328 T CB 1.544 70.445 68.868 0.055 0.000 0.947 328 T HN 0.099 nan 8.240 nan 0.000 0.544 329 E N 0.450 120.684 120.200 0.056 0.000 2.421 329 E HA 0.362 4.716 4.350 0.007 0.000 0.209 329 E C 0.423 177.082 176.600 0.098 0.000 0.871 329 E CA -0.105 56.334 56.400 0.064 0.000 1.064 329 E CB 0.829 30.572 29.700 0.071 0.000 1.075 329 E HN 0.641 nan 8.360 nan 0.000 0.513 330 A N 1.635 124.531 122.820 0.128 0.000 2.556 330 A HA 0.755 5.079 4.320 0.007 0.000 0.294 330 A C -0.900 176.790 177.584 0.177 0.000 1.091 330 A CA -0.799 51.354 52.037 0.193 0.000 0.704 330 A CB 1.324 20.521 19.000 0.329 0.000 1.300 330 A HN 0.214 nan 8.150 nan 0.000 0.406 331 I N -2.523 118.171 120.570 0.207 0.000 3.191 331 I HA 0.914 5.089 4.170 0.007 0.000 0.313 331 I C -0.337 175.902 176.117 0.203 0.000 1.193 331 I CA -1.278 60.121 61.300 0.166 0.000 0.968 331 I CB 2.217 40.275 38.000 0.096 0.000 1.262 331 I HN 0.866 nan 8.210 nan 0.000 0.456 332 A N 3.795 126.676 122.820 0.101 0.000 2.318 332 A HA 0.710 5.034 4.320 0.007 0.000 0.317 332 A C -1.027 176.671 177.584 0.188 0.000 1.159 332 A CA -0.562 51.482 52.037 0.010 0.000 0.799 332 A CB 1.248 20.004 19.000 -0.407 0.000 1.194 332 A HN 0.760 nan 8.150 nan 0.000 0.479 333 L N 2.803 124.147 121.223 0.201 0.000 2.265 333 L HA 0.362 4.706 4.340 0.007 0.000 0.289 333 L C 0.313 177.258 176.870 0.126 0.000 1.033 333 L CA -0.299 54.630 54.840 0.149 0.000 0.814 333 L CB 1.095 43.214 42.059 0.099 0.000 1.203 333 L HN 0.942 nan 8.230 nan 0.000 0.423 334 E N 5.002 125.301 120.200 0.164 0.000 2.194 334 E HA 0.372 4.727 4.350 0.007 0.000 0.284 334 E C -1.707 174.860 176.600 -0.056 0.000 1.035 334 E CA -0.511 55.912 56.400 0.038 0.000 0.836 334 E CB 1.327 31.208 29.700 0.302 0.000 1.070 334 E HN 0.383 nan 8.360 nan 0.000 0.401 335 V N 3.764 123.530 119.914 -0.247 0.000 2.509 335 V HA 0.659 4.784 4.120 0.007 0.000 0.289 335 V C -0.377 175.492 176.094 -0.375 0.000 1.026 335 V CA -0.310 61.884 62.300 -0.178 0.000 0.872 335 V CB 0.783 32.538 31.823 -0.113 0.000 1.017 335 V HN 0.861 nan 8.190 nan 0.000 0.436 336 A N 2.817 125.441 122.820 -0.326 0.000 2.524 336 A HA 0.916 5.240 4.320 0.007 0.000 0.289 336 A C -1.025 176.382 177.584 -0.294 0.000 1.248 336 A CA -0.543 51.191 52.037 -0.506 0.000 0.712 336 A CB 2.033 20.497 19.000 -0.894 0.000 1.312 336 A HN 1.102 nan 8.150 nan 0.000 0.441 337 C N 0.527 119.599 119.300 -0.380 0.000 2.344 337 C HA 0.823 5.287 4.460 0.007 0.000 0.326 337 C C -1.457 173.334 174.990 -0.332 0.000 1.201 337 C CA -0.940 58.013 59.018 -0.108 0.000 1.410 337 C CB -1.555 26.233 27.740 0.081 0.000 2.070 337 C HN 0.491 nan 8.230 nan 0.000 0.445 338 F N 2.765 122.653 119.950 -0.105 0.000 2.440 338 F HA 0.389 4.920 4.527 0.007 0.000 0.328 338 F C 0.604 176.393 175.800 -0.019 0.000 1.070 338 F CA -0.392 57.508 58.000 -0.166 0.000 1.011 338 F CB 0.707 39.418 39.000 -0.483 0.000 1.226 338 F HN 0.594 nan 8.300 nan 0.000 0.491 339 D N 2.785 123.318 120.400 0.222 0.000 2.363 339 D HA 0.139 4.784 4.640 0.007 0.000 0.263 339 D C -1.890 174.488 176.300 0.131 0.000 1.258 339 D CA -1.452 52.633 54.000 0.141 0.000 0.907 339 D CB 0.976 41.838 40.800 0.104 0.000 1.107 339 D HN 0.087 nan 8.370 nan 0.000 0.495 340 P HA -0.247 nan 4.420 nan 0.000 0.217 340 P C 1.400 178.755 177.300 0.091 0.000 1.158 340 P CA 0.892 64.071 63.100 0.132 0.000 0.887 340 P CB 0.183 31.951 31.700 0.113 0.000 0.792 341 V N -0.561 119.393 119.914 0.068 0.000 2.295 341 V HA -0.248 3.876 4.120 0.007 0.000 0.246 341 V C 2.608 178.722 176.094 0.033 0.000 1.049 341 V CA 2.401 64.728 62.300 0.046 0.000 1.024 341 V CB -1.633 30.212 31.823 0.036 0.000 0.648 341 V HN 0.235 nan 8.190 nan 0.000 0.447 342 S N 0.083 115.801 115.700 0.030 0.000 2.353 342 S HA -0.186 4.288 4.470 0.007 0.000 0.222 342 S C 1.998 176.592 174.600 -0.010 0.000 1.035 342 S CA 1.819 60.021 58.200 0.005 0.000 1.025 342 S CB -0.315 62.888 63.200 0.005 0.000 0.902 342 S HN 0.389 nan 8.310 nan 0.000 0.440 343 I N 2.145 122.717 120.570 0.002 0.000 2.208 343 I HA -0.132 4.042 4.170 0.007 0.000 0.245 343 I C 2.642 178.779 176.117 0.032 0.000 1.097 343 I CA 1.469 62.767 61.300 -0.002 0.000 1.363 343 I CB -1.627 36.410 38.000 0.062 0.000 1.051 343 I HN 0.439 nan 8.210 nan 0.000 0.413 344 R N 1.531 122.062 120.500 0.051 0.000 2.094 344 R HA -0.218 4.126 4.340 0.007 0.000 0.239 344 R C 2.299 178.617 176.300 0.029 0.000 1.137 344 R CA 1.902 58.032 56.100 0.051 0.000 0.943 344 R CB -0.059 30.270 30.300 0.050 0.000 0.850 344 R HN 0.351 nan 8.270 nan 0.000 0.433 345 K N -0.772 119.633 120.400 0.009 0.000 2.057 345 K HA -0.069 4.256 4.320 0.007 0.000 0.206 345 K C 2.170 178.764 176.600 -0.010 0.000 1.050 345 K CA 1.901 58.180 56.287 -0.015 0.000 0.935 345 K CB -0.197 32.278 32.500 -0.042 0.000 0.715 345 K HN 0.227 nan 8.250 nan 0.000 0.439 346 T N 1.400 115.954 114.554 -0.001 0.000 2.708 346 T HA -0.170 4.184 4.350 0.007 0.000 0.266 346 T C 2.046 176.807 174.700 0.103 0.000 1.037 346 T CA 1.486 63.614 62.100 0.048 0.000 1.146 346 T CB -0.337 68.522 68.868 -0.015 0.000 0.865 346 T HN 0.351 nan 8.240 nan 0.000 0.435 347 A N 1.777 124.628 122.820 0.052 0.000 1.873 347 A HA -0.216 4.108 4.320 0.007 0.000 0.218 347 A C 2.354 179.984 177.584 0.077 0.000 1.193 347 A CA 1.996 54.070 52.037 0.062 0.000 0.629 347 A CB -0.561 18.475 19.000 0.060 0.000 0.826 347 A HN 0.275 nan 8.150 nan 0.000 0.447 348 R N -0.871 119.660 120.500 0.052 0.000 2.082 348 R HA -0.099 4.245 4.340 0.007 0.000 0.234 348 R C 2.376 178.690 176.300 0.023 0.000 1.136 348 R CA 1.789 57.908 56.100 0.032 0.000 0.935 348 R CB -0.710 29.597 30.300 0.012 0.000 0.842 348 R HN 0.641 nan 8.270 nan 0.000 0.430 349 R N -0.412 120.093 120.500 0.008 0.000 2.178 349 R HA -0.231 4.113 4.340 0.007 0.000 0.257 349 R C 0.799 176.999 176.300 -0.167 0.000 1.163 349 R CA 2.223 58.276 56.100 -0.078 0.000 0.981 349 R CB -0.261 29.988 30.300 -0.084 0.000 0.878 349 R HN 0.435 nan 8.270 nan 0.000 0.454 350 H N -2.259 116.804 119.070 -0.012 0.000 2.594 350 H HA 0.289 4.849 4.556 0.007 0.000 0.279 350 H C 0.625 175.953 175.328 0.000 0.000 1.042 350 H CA 0.477 56.523 56.048 -0.002 0.000 1.177 350 H CB 1.320 31.080 29.762 -0.002 0.000 1.524 350 H HN 0.473 nan 8.280 nan 0.000 0.537 351 G N 1.121 109.973 108.800 0.087 0.000 2.273 351 G HA2 -0.288 3.676 3.960 0.007 0.000 0.280 351 G HA3 -0.288 3.676 3.960 0.007 0.000 0.280 351 G C -0.233 174.701 174.900 0.058 0.000 1.047 351 G CA 0.117 45.250 45.100 0.055 0.000 0.869 351 G HN 0.328 nan 8.290 nan 0.000 0.502 352 L N -0.243 121.021 121.223 0.069 0.000 2.329 352 L HA 0.749 5.093 4.340 0.007 0.000 0.279 352 L C 0.463 177.360 176.870 0.044 0.000 1.014 352 L CA -1.185 53.684 54.840 0.048 0.000 0.814 352 L CB 1.815 43.897 42.059 0.038 0.000 1.257 352 L HN 0.150 nan 8.230 nan 0.000 0.424 353 R N 2.627 123.148 120.500 0.034 0.000 2.507 353 R HA 0.446 4.790 4.340 0.007 0.000 0.298 353 R C -1.179 175.138 176.300 0.030 0.000 1.087 353 R CA -0.286 55.835 56.100 0.034 0.000 0.917 353 R CB 1.494 31.801 30.300 0.011 0.000 1.173 353 R HN 0.788 nan 8.270 nan 0.000 0.472 354 T N -0.498 114.088 114.554 0.055 0.000 2.926 354 T HA 0.360 4.714 4.350 0.007 0.000 0.289 354 T C 0.874 175.621 174.700 0.078 0.000 1.054 354 T CA -0.742 61.390 62.100 0.052 0.000 1.015 354 T CB 1.698 70.599 68.868 0.054 0.000 1.167 354 T HN 0.355 nan 8.240 nan 0.000 0.526 355 E N 0.417 120.652 120.200 0.058 0.000 2.171 355 E HA -0.139 4.216 4.350 0.007 0.000 0.197 355 E C 2.146 178.787 176.600 0.069 0.000 0.997 355 E CA 1.609 58.047 56.400 0.065 0.000 0.810 355 E CB -0.653 29.069 29.700 0.035 0.000 0.738 355 E HN 0.778 nan 8.360 nan 0.000 0.467 356 A N 1.333 124.201 122.820 0.080 0.000 1.843 356 A HA -0.140 4.184 4.320 0.007 0.000 0.213 356 A C 2.453 180.148 177.584 0.185 0.000 1.202 356 A CA 2.006 54.103 52.037 0.099 0.000 0.607 356 A CB -0.797 18.324 19.000 0.202 0.000 0.847 356 A HN 0.349 nan 8.150 nan 0.000 0.445 357 S N -0.314 115.519 115.700 0.222 0.000 2.365 357 S HA -0.357 4.117 4.470 0.007 0.000 0.225 357 S C 1.939 176.669 174.600 0.217 0.000 1.039 357 S CA 2.047 60.392 58.200 0.242 0.000 1.033 357 S CB -0.996 62.295 63.200 0.152 0.000 0.887 357 S HN 0.716 nan 8.310 nan 0.000 0.447 358 H N 2.196 121.304 119.070 0.063 0.000 2.289 358 H HA -0.047 4.513 4.556 0.007 0.000 0.294 358 H C 2.331 177.665 175.328 0.010 0.000 1.095 358 H CA 2.430 58.497 56.048 0.032 0.000 1.256 358 H CB -0.382 29.384 29.762 0.007 0.000 1.359 358 H HN 0.451 nan 8.280 nan 0.000 0.487 359 R N -1.322 119.095 120.500 -0.139 0.000 2.092 359 R HA -0.081 4.264 4.340 0.007 0.000 0.231 359 R C 2.197 178.371 176.300 -0.210 0.000 1.119 359 R CA 1.282 57.211 56.100 -0.285 0.000 0.970 359 R CB -0.211 29.877 30.300 -0.355 0.000 0.864 359 R HN 0.297 nan 8.270 nan 0.000 0.440 360 F N 1.244 121.217 119.950 0.039 0.000 2.259 360 F HA -0.052 4.479 4.527 0.007 0.000 0.298 360 F C 2.103 177.938 175.800 0.058 0.000 1.088 360 F CA 0.986 59.038 58.000 0.086 0.000 1.358 360 F CB -0.213 38.894 39.000 0.178 0.000 1.040 360 F HN 0.017 nan 8.300 nan 0.000 0.505 361 E N -0.246 120.073 120.200 0.198 0.000 2.072 361 E HA -0.190 4.164 4.350 0.007 0.000 0.191 361 E C 2.128 178.763 176.600 0.057 0.000 0.985 361 E CA 0.940 57.413 56.400 0.121 0.000 0.801 361 E CB -0.143 29.619 29.700 0.103 0.000 0.750 361 E HN 0.197 nan 8.360 nan 0.000 0.452 362 R N -0.287 120.199 120.500 -0.023 0.000 2.236 362 R HA 0.087 4.432 4.340 0.007 0.000 0.208 362 R C 0.175 176.469 176.300 -0.010 0.000 1.036 362 R CA 0.719 56.786 56.100 -0.054 0.000 1.001 362 R CB 0.564 30.761 30.300 -0.172 0.000 0.896 362 R HN 0.211 nan 8.270 nan 0.000 0.464 363 G N -0.822 107.997 108.800 0.031 0.000 2.911 363 G HA2 -0.103 3.861 3.960 0.007 0.000 0.686 363 G HA3 -0.103 3.861 3.960 0.007 0.000 0.686 363 G C -1.042 173.877 174.900 0.031 0.000 1.136 363 G CA -0.762 44.376 45.100 0.064 0.000 0.764 363 G HN 0.044 nan 8.290 nan 0.000 0.626 364 V N 2.105 122.069 119.914 0.082 0.000 2.919 364 V HA 0.597 4.722 4.120 0.007 0.000 0.316 364 V C 0.335 176.467 176.094 0.063 0.000 1.077 364 V CA -0.564 61.760 62.300 0.040 0.000 0.977 364 V CB 1.936 33.801 31.823 0.070 0.000 1.039 364 V HN 0.966 nan 8.190 nan 0.000 0.441 365 D N 4.881 125.308 120.400 0.045 0.000 2.402 365 D HA 0.040 4.684 4.640 0.007 0.000 0.268 365 D C -1.097 175.252 176.300 0.083 0.000 1.294 365 D CA -1.446 52.594 54.000 0.066 0.000 0.945 365 D CB 1.296 42.136 40.800 0.066 0.000 1.112 365 D HN 0.278 nan 8.370 nan 0.000 0.517 366 P HA -0.138 nan 4.420 nan 0.000 0.224 366 P C 0.759 178.109 177.300 0.084 0.000 1.142 366 P CA 0.860 64.007 63.100 0.078 0.000 0.778 366 P CB 0.317 32.037 31.700 0.034 0.000 0.764 367 L N -1.914 119.357 121.223 0.080 0.000 3.358 367 L HA 0.368 4.712 4.340 0.007 0.000 0.301 367 L C 1.860 178.793 176.870 0.106 0.000 1.276 367 L CA -0.060 54.830 54.840 0.084 0.000 1.028 367 L CB 0.328 42.399 42.059 0.020 0.000 1.421 367 L HN -0.113 nan 8.230 nan 0.000 0.604 368 G N -0.897 107.963 108.800 0.101 0.000 2.838 368 G HA2 -0.077 3.887 3.960 0.007 0.000 0.210 368 G HA3 -0.077 3.887 3.960 0.007 0.000 0.210 368 G C 1.159 176.084 174.900 0.041 0.000 1.153 368 G CA 0.044 45.177 45.100 0.056 0.000 0.778 368 G HN 0.194 nan 8.290 nan 0.000 0.539 369 Q N 0.692 120.525 119.800 0.054 0.000 2.014 369 Q HA -0.117 4.227 4.340 0.007 0.000 0.207 369 Q C 2.790 178.779 176.000 -0.018 0.000 0.993 369 Q CA 1.610 57.394 55.803 -0.032 0.000 0.850 369 Q CB -0.946 27.675 28.738 -0.196 0.000 0.916 369 Q HN 0.311 nan 8.270 nan 0.000 0.417 370 V N 0.988 120.920 119.914 0.029 0.000 2.332 370 V HA -0.206 3.918 4.120 0.007 0.000 0.248 370 V C -0.907 175.201 176.094 0.025 0.000 1.055 370 V CA 2.061 64.380 62.300 0.032 0.000 1.038 370 V CB -1.556 30.306 31.823 0.065 0.000 0.651 370 V HN 0.305 nan 8.190 nan 0.000 0.450 371 P HA -0.090 nan 4.420 nan 0.000 0.217 371 P C 1.665 178.970 177.300 0.007 0.000 1.150 371 P CA 1.761 64.869 63.100 0.013 0.000 0.832 371 P CB -0.115 31.589 31.700 0.007 0.000 0.787 372 A N -0.397 122.424 122.820 0.002 0.000 1.930 372 A HA -0.218 4.107 4.320 0.007 0.000 0.217 372 A C 2.244 179.834 177.584 0.010 0.000 1.175 372 A CA 1.294 53.331 52.037 0.001 0.000 0.627 372 A CB -1.109 17.885 19.000 -0.010 0.000 0.815 372 A HN 0.113 nan 8.150 nan 0.000 0.443 373 Q N -0.181 119.623 119.800 0.006 0.000 2.084 373 Q HA -0.168 4.176 4.340 0.007 0.000 0.202 373 Q C 2.294 178.309 176.000 0.024 0.000 0.978 373 Q CA 1.543 57.356 55.803 0.015 0.000 0.844 373 Q CB -0.316 28.432 28.738 0.015 0.000 0.898 373 Q HN 0.703 nan 8.270 nan 0.000 0.426 374 R N 0.157 120.670 120.500 0.022 0.000 2.073 374 R HA -0.077 4.267 4.340 0.007 0.000 0.234 374 R C 2.438 178.753 176.300 0.024 0.000 1.134 374 R CA 0.724 56.837 56.100 0.022 0.000 0.952 374 R CB -0.291 30.021 30.300 0.019 0.000 0.850 374 R HN 0.100 nan 8.270 nan 0.000 0.433 375 R N 0.915 121.433 120.500 0.030 0.000 2.094 375 R HA -0.147 4.197 4.340 0.007 0.000 0.239 375 R C 2.194 178.528 176.300 0.056 0.000 1.137 375 R CA 2.036 58.165 56.100 0.049 0.000 0.943 375 R CB -0.619 29.716 30.300 0.058 0.000 0.850 375 R HN 0.274 nan 8.270 nan 0.000 0.433 376 A N 1.002 123.851 122.820 0.049 0.000 1.858 376 A HA -0.144 4.180 4.320 0.007 0.000 0.216 376 A C 2.500 180.095 177.584 0.019 0.000 1.190 376 A CA 1.383 53.446 52.037 0.042 0.000 0.617 376 A CB -0.758 18.262 19.000 0.034 0.000 0.827 376 A HN 0.314 nan 8.150 nan 0.000 0.443 377 L N -0.415 120.817 121.223 0.015 0.000 2.042 377 L HA -0.209 4.135 4.340 0.007 0.000 0.210 377 L C 2.944 179.805 176.870 -0.016 0.000 1.076 377 L CA 1.590 56.429 54.840 -0.002 0.000 0.749 377 L CB -0.530 41.534 42.059 0.008 0.000 0.893 377 L HN 0.543 nan 8.230 nan 0.000 0.432 378 S N 0.249 115.948 115.700 -0.002 0.000 2.353 378 S HA -0.194 4.280 4.470 0.007 0.000 0.222 378 S C 2.032 176.627 174.600 -0.009 0.000 1.035 378 S CA 1.405 59.601 58.200 -0.006 0.000 1.025 378 S CB -0.290 62.914 63.200 0.008 0.000 0.902 378 S HN 0.313 nan 8.310 nan 0.000 0.440 379 L N 0.903 122.131 121.223 0.008 0.000 2.079 379 L HA -0.088 4.256 4.340 0.007 0.000 0.210 379 L C 2.495 179.349 176.870 -0.026 0.000 1.081 379 L CA 1.145 55.989 54.840 0.006 0.000 0.752 379 L CB -0.479 41.597 42.059 0.028 0.000 0.896 379 L HN 0.373 nan 8.230 nan 0.000 0.433 380 L N -0.799 120.404 121.223 -0.034 0.000 2.131 380 L HA -0.245 4.099 4.340 0.007 0.000 0.210 380 L C 2.625 179.452 176.870 -0.073 0.000 1.092 380 L CA 1.156 55.962 54.840 -0.057 0.000 0.759 380 L CB -0.397 41.628 42.059 -0.057 0.000 0.903 380 L HN 0.383 nan 8.230 nan 0.000 0.435 381 Q N -0.108 119.650 119.800 -0.070 0.000 2.119 381 Q HA -0.170 4.174 4.340 0.007 0.000 0.201 381 Q C 2.260 178.220 176.000 -0.067 0.000 0.972 381 Q CA 1.570 57.322 55.803 -0.085 0.000 0.847 381 Q CB 0.014 28.704 28.738 -0.080 0.000 0.903 381 Q HN 0.500 nan 8.270 nan 0.000 0.433 382 A N -0.268 122.525 122.820 -0.046 0.000 1.929 382 A HA -0.064 4.260 4.320 0.007 0.000 0.216 382 A C 1.614 179.180 177.584 -0.030 0.000 1.176 382 A CA 0.930 52.948 52.037 -0.032 0.000 0.628 382 A CB -0.043 18.950 19.000 -0.013 0.000 0.816 382 A HN 0.383 nan 8.150 nan 0.000 0.444 383 L N -2.113 119.085 121.223 -0.042 0.000 2.556 383 L HA 0.367 4.711 4.340 0.007 0.000 0.226 383 L C 1.951 178.781 176.870 -0.067 0.000 1.089 383 L CA 1.219 56.025 54.840 -0.057 0.000 0.864 383 L CB -0.007 41.998 42.059 -0.090 0.000 1.067 383 L HN 0.338 nan 8.230 nan 0.000 0.477 384 A N -1.297 121.481 122.820 -0.070 0.000 2.545 384 A HA 0.553 4.877 4.320 0.007 0.000 0.263 384 A C 1.434 178.971 177.584 -0.078 0.000 1.202 384 A CA 0.337 52.331 52.037 -0.071 0.000 0.959 384 A CB -0.264 18.691 19.000 -0.075 0.000 1.124 384 A HN 0.301 nan 8.150 nan 0.000 0.543 385 G N -0.017 108.736 108.800 -0.079 0.000 2.341 385 G HA2 0.064 4.028 3.960 0.007 0.000 0.292 385 G HA3 0.064 4.028 3.960 0.007 0.000 0.292 385 G C 0.481 175.300 174.900 -0.136 0.000 1.021 385 G CA 0.555 45.600 45.100 -0.091 0.000 0.905 385 G HN 1.676 nan 8.290 nan 0.000 0.508 386 A N -0.226 122.501 122.820 -0.155 0.000 2.425 386 A HA 0.686 5.010 4.320 0.007 0.000 0.249 386 A C 0.845 178.229 177.584 -0.332 0.000 1.084 386 A CA -0.056 51.837 52.037 -0.240 0.000 0.781 386 A CB 0.389 19.270 19.000 -0.197 0.000 1.019 386 A HN 0.559 nan 8.150 nan 0.000 0.490 387 R N 1.508 121.649 120.500 -0.599 0.000 2.229 387 R HA 0.478 4.822 4.340 0.007 0.000 0.332 387 R C -1.129 174.656 176.300 -0.858 0.000 0.989 387 R CA -0.415 55.232 56.100 -0.756 0.000 0.842 387 R CB 1.452 31.057 30.300 -1.158 0.000 1.119 387 R HN 0.492 nan 8.270 nan 0.000 0.456 388 V N 2.324 122.007 119.914 -0.386 0.000 2.630 388 V HA 0.501 4.626 4.120 0.007 0.000 0.305 388 V C 0.438 176.544 176.094 0.020 0.000 1.046 388 V CA -0.924 61.266 62.300 -0.183 0.000 0.934 388 V CB 1.739 33.508 31.823 -0.089 0.000 1.003 388 V HN 0.881 nan 8.190 nan 0.000 0.451 389 A N 2.040 124.960 122.820 0.167 0.000 2.322 389 A HA 0.387 4.711 4.320 0.007 0.000 0.269 389 A C 1.083 178.759 177.584 0.155 0.000 1.094 389 A CA -0.092 52.104 52.037 0.265 0.000 0.807 389 A CB 0.343 19.613 19.000 0.449 0.000 1.047 389 A HN 1.010 nan 8.150 nan 0.000 0.487 390 E N 0.887 121.163 120.200 0.125 0.000 2.107 390 E HA 0.082 4.437 4.350 0.007 0.000 0.191 390 E C 0.946 177.592 176.600 0.077 0.000 0.982 390 E CA 0.844 57.293 56.400 0.082 0.000 0.809 390 E CB -0.003 29.737 29.700 0.065 0.000 0.756 390 E HN 0.826 nan 8.360 nan 0.000 0.459 391 A N 0.591 123.460 122.820 0.081 0.000 2.286 391 A HA 0.545 4.869 4.320 0.007 0.000 0.286 391 A C -0.447 177.183 177.584 0.076 0.000 1.097 391 A CA -0.459 51.615 52.037 0.061 0.000 0.821 391 A CB 0.592 19.611 19.000 0.032 0.000 1.076 391 A HN 0.276 nan 8.150 nan 0.000 0.490 392 L N -0.023 121.237 121.223 0.062 0.000 2.279 392 L HA 0.510 4.854 4.340 0.007 0.000 0.262 392 L C -1.218 175.687 176.870 0.057 0.000 1.019 392 L CA -1.033 53.853 54.840 0.075 0.000 0.823 392 L CB 1.717 43.816 42.059 0.067 0.000 1.358 392 L HN 0.483 nan 8.230 nan 0.000 0.432 393 L N 1.412 122.686 121.223 0.085 0.000 2.305 393 L HA 0.447 4.791 4.340 0.007 0.000 0.284 393 L C -0.379 176.566 176.870 0.126 0.000 1.013 393 L CA 0.150 55.045 54.840 0.093 0.000 0.819 393 L CB 1.381 43.520 42.059 0.133 0.000 1.227 393 L HN 0.483 nan 8.230 nan 0.000 0.417 394 E N 2.155 122.425 120.200 0.116 0.000 2.288 394 E HA 0.864 5.218 4.350 0.007 0.000 0.268 394 E C -1.508 175.188 176.600 0.160 0.000 0.885 394 E CA -0.875 55.604 56.400 0.133 0.000 0.767 394 E CB 2.095 31.872 29.700 0.128 0.000 1.220 394 E HN 0.619 nan 8.360 nan 0.000 0.427 395 A N 2.692 125.633 122.820 0.202 0.000 2.476 395 A HA 0.746 5.071 4.320 0.007 0.000 0.280 395 A C -0.329 177.395 177.584 0.234 0.000 1.081 395 A CA 0.119 52.265 52.037 0.183 0.000 0.753 395 A CB 1.046 20.141 19.000 0.159 0.000 1.248 395 A HN 0.876 nan 8.150 nan 0.000 0.424 396 G N 0.041 108.951 108.800 0.183 0.000 2.484 396 G HA2 0.460 4.424 3.960 0.007 0.000 0.685 396 G HA3 0.460 4.424 3.960 0.007 0.000 0.685 396 G C -0.380 174.571 174.900 0.085 0.000 1.294 396 G CA 0.005 45.200 45.100 0.159 0.000 0.879 396 G HN 1.955 nan 8.290 nan 0.000 0.646 397 S N 1.579 117.258 115.700 -0.035 0.000 2.488 397 S HA 0.618 5.092 4.470 0.007 0.000 0.151 397 S C -2.272 172.246 174.600 -0.137 0.000 1.401 397 S CA -0.456 57.679 58.200 -0.107 0.000 1.221 397 S CB 0.704 63.886 63.200 -0.031 0.000 1.407 397 S HN 0.635 nan 8.310 nan 0.000 0.406 398 P HA 0.222 nan 4.420 nan 0.000 0.267 398 P C -0.646 176.594 177.300 -0.101 0.000 1.200 398 P CA -0.221 62.785 63.100 -0.156 0.000 0.772 398 P CB 0.449 32.025 31.700 -0.206 0.000 0.855 399 K N 3.139 123.505 120.400 -0.057 0.000 2.174 399 K HA 0.426 4.751 4.320 0.007 0.000 0.275 399 K C -2.107 174.475 176.600 -0.030 0.000 1.015 399 K CA -1.857 54.408 56.287 -0.036 0.000 0.933 399 K CB -0.392 32.095 32.500 -0.021 0.000 1.025 399 K HN 0.307 nan 8.250 nan 0.000 0.463 400 P HA 0.164 nan 4.420 nan 0.000 0.271 400 P C -2.277 175.016 177.300 -0.012 0.000 1.244 400 P CA -0.824 62.267 63.100 -0.016 0.000 0.793 400 P CB -0.243 31.451 31.700 -0.010 0.000 0.984 401 P HA 0.162 nan 4.420 nan 0.000 0.274 401 P C -0.513 176.784 177.300 -0.005 0.000 1.231 401 P CA -0.076 63.017 63.100 -0.012 0.000 0.790 401 P CB 0.922 32.609 31.700 -0.023 0.000 0.951 402 E N 0.202 120.402 120.200 0.000 0.000 2.342 402 E HA 0.457 4.811 4.350 0.007 0.000 0.257 402 E C 0.076 176.684 176.600 0.013 0.000 1.150 402 E CA -0.841 55.563 56.400 0.008 0.000 0.926 402 E CB 0.634 30.340 29.700 0.010 0.000 1.074 402 E HN 0.516 nan 8.360 nan 0.000 0.449 403 A N 1.500 124.333 122.820 0.022 0.000 2.371 403 A HA 0.403 4.727 4.320 0.007 0.000 0.257 403 A C -0.305 177.306 177.584 0.046 0.000 1.089 403 A CA -0.176 51.882 52.037 0.035 0.000 0.794 403 A CB 0.075 19.101 19.000 0.042 0.000 1.029 403 A HN 0.481 nan 8.150 nan 0.000 0.488 404 I N 3.197 123.805 120.570 0.064 0.000 2.436 404 I HA 0.333 4.507 4.170 0.007 0.000 0.289 404 I C -2.227 173.973 176.117 0.139 0.000 1.010 404 I CA -2.296 59.056 61.300 0.086 0.000 1.098 404 I CB 2.450 40.499 38.000 0.081 0.000 1.266 404 I HN 0.473 nan 8.210 nan 0.000 0.434 405 P HA 0.104 nan 4.420 nan 0.000 0.271 405 P C -1.131 176.321 177.300 0.255 0.000 1.220 405 P CA 0.126 63.318 63.100 0.153 0.000 0.768 405 P CB 0.684 32.430 31.700 0.076 0.000 0.848 406 F N 4.572 124.605 119.950 0.140 0.000 2.539 406 F HA 0.479 5.011 4.527 0.007 0.000 0.318 406 F C -0.561 175.384 175.800 0.241 0.000 1.135 406 F CA -1.084 57.018 58.000 0.171 0.000 0.915 406 F CB 1.979 41.060 39.000 0.136 0.000 1.176 406 F HN 0.124 nan 8.300 nan 0.000 0.440 407 R N 7.116 127.237 120.500 -0.631 0.000 2.320 407 R HA 0.371 4.716 4.340 0.007 0.000 0.319 407 R C -2.253 173.661 176.300 -0.644 0.000 0.969 407 R CA -1.717 54.140 56.100 -0.406 0.000 0.857 407 R CB 1.202 31.420 30.300 -0.136 0.000 1.160 407 R HN 0.346 nan 8.270 nan 0.000 0.491 408 P HA -0.277 nan 4.420 nan 0.000 0.217 408 P C 0.939 178.187 177.300 -0.086 0.000 1.148 408 P CA 1.090 64.065 63.100 -0.209 0.000 0.828 408 P CB 0.397 32.125 31.700 0.046 0.000 0.783 409 E N -1.296 118.872 120.200 -0.053 0.000 2.072 409 E HA -0.208 4.146 4.350 0.007 0.000 0.191 409 E C 1.870 178.484 176.600 0.023 0.000 0.985 409 E CA 1.138 57.535 56.400 -0.004 0.000 0.801 409 E CB -0.633 29.073 29.700 0.009 0.000 0.750 409 E HN 0.225 nan 8.360 nan 0.000 0.452 410 Y N 1.049 121.271 120.300 -0.130 0.000 2.200 410 Y HA -0.079 4.475 4.550 0.007 0.000 0.290 410 Y C 2.117 177.980 175.900 -0.062 0.000 1.137 410 Y CA 1.449 59.491 58.100 -0.097 0.000 1.163 410 Y CB -0.776 37.616 38.460 -0.114 0.000 0.988 410 Y HN 0.062 nan 8.280 nan 0.000 0.518 411 A N 0.927 123.633 122.820 -0.191 0.000 1.859 411 A HA -0.280 4.044 4.320 0.007 0.000 0.217 411 A C 2.215 179.723 177.584 -0.126 0.000 1.198 411 A CA 2.137 54.088 52.037 -0.143 0.000 0.629 411 A CB -1.017 18.058 19.000 0.125 0.000 0.830 411 A HN 0.594 nan 8.150 nan 0.000 0.446 412 N N -0.789 117.872 118.700 -0.065 0.000 2.223 412 N HA -0.124 4.621 4.740 0.007 0.000 0.185 412 N C 1.900 177.334 175.510 -0.126 0.000 1.016 412 N CA 1.242 54.230 53.050 -0.103 0.000 0.863 412 N CB -0.339 38.101 38.487 -0.079 0.000 0.983 412 N HN 0.525 nan 8.380 nan 0.000 0.429 413 R N 0.147 120.585 120.500 -0.102 0.000 2.073 413 R HA -0.003 4.341 4.340 0.007 0.000 0.229 413 R C 2.055 178.287 176.300 -0.113 0.000 1.120 413 R CA 0.566 56.626 56.100 -0.067 0.000 0.967 413 R CB -0.224 30.093 30.300 0.029 0.000 0.862 413 R HN 0.073 nan 8.270 nan 0.000 0.436 414 L N 0.702 121.773 121.223 -0.253 0.000 2.093 414 L HA -0.087 4.257 4.340 0.007 0.000 0.208 414 L C 1.735 178.495 176.870 -0.183 0.000 1.085 414 L CA 1.665 56.338 54.840 -0.279 0.000 0.755 414 L CB -0.148 41.553 42.059 -0.597 0.000 0.904 414 L HN 0.160 nan 8.230 nan 0.000 0.435 415 L N -1.112 120.005 121.223 -0.177 0.000 2.209 415 L HA 0.196 4.541 4.340 0.007 0.000 0.207 415 L C 1.631 178.417 176.870 -0.140 0.000 1.094 415 L CA 0.711 55.465 54.840 -0.144 0.000 0.790 415 L CB -0.607 41.389 42.059 -0.104 0.000 0.932 415 L HN 0.489 nan 8.230 nan 0.000 0.447 416 G N 0.592 109.308 108.800 -0.141 0.000 2.132 416 G HA2 -0.256 3.708 3.960 0.007 0.000 0.234 416 G HA3 -0.256 3.708 3.960 0.007 0.000 0.234 416 G C 0.366 175.163 174.900 -0.171 0.000 0.989 416 G CA 0.336 45.361 45.100 -0.124 0.000 0.676 416 G HN 0.402 nan 8.290 nan 0.000 0.522 417 T N -2.246 112.154 114.554 -0.258 0.000 2.893 417 T HA 0.749 5.103 4.350 0.007 0.000 0.279 417 T C 0.721 175.179 174.700 -0.404 0.000 0.991 417 T CA 0.435 62.269 62.100 -0.444 0.000 0.950 417 T CB 1.916 70.248 68.868 -0.894 0.000 1.223 417 T HN 1.515 nan 8.240 nan 0.000 0.585 418 S N -0.361 115.040 115.700 -0.498 0.000 2.539 418 S HA 0.297 4.771 4.470 0.007 0.000 0.185 418 S C -1.241 173.263 174.600 -0.160 0.000 1.181 418 S CA -0.925 57.124 58.200 -0.252 0.000 1.216 418 S CB -0.865 62.254 63.200 -0.135 0.000 1.476 418 S HN 0.590 nan 8.310 nan 0.000 0.395 419 Y N 2.919 123.223 120.300 0.008 0.000 2.377 419 Y HA 0.436 4.990 4.550 0.007 0.000 0.330 419 Y C -2.052 173.860 175.900 0.020 0.000 1.108 419 Y CA -2.333 55.776 58.100 0.015 0.000 1.308 419 Y CB 0.016 38.489 38.460 0.023 0.000 1.216 419 Y HN 0.284 nan 8.280 nan 0.000 0.518 420 P HA -0.017 nan 4.420 nan 0.000 0.271 420 P C 0.590 177.956 177.300 0.109 0.000 1.216 420 P CA -0.011 63.154 63.100 0.108 0.000 0.771 420 P CB 1.142 32.889 31.700 0.078 0.000 0.864 421 E N 3.013 123.270 120.200 0.096 0.000 2.095 421 E HA -0.329 4.025 4.350 0.007 0.000 0.212 421 E C 1.909 178.543 176.600 0.056 0.000 1.044 421 E CA 2.307 58.763 56.400 0.094 0.000 0.857 421 E CB -0.439 29.325 29.700 0.107 0.000 0.764 421 E HN 0.555 nan 8.360 nan 0.000 0.462 422 A N 0.635 123.482 122.820 0.045 0.000 1.917 422 A HA -0.304 4.021 4.320 0.007 0.000 0.219 422 A C 2.005 179.588 177.584 -0.000 0.000 1.182 422 A CA 2.058 54.105 52.037 0.017 0.000 0.633 422 A CB -0.696 18.318 19.000 0.024 0.000 0.819 422 A HN 0.423 nan 8.150 nan 0.000 0.448 423 E N -0.631 119.578 120.200 0.014 0.000 2.085 423 E HA -0.243 4.111 4.350 0.007 0.000 0.194 423 E C 2.329 178.906 176.600 -0.037 0.000 0.994 423 E CA 1.585 57.977 56.400 -0.013 0.000 0.801 423 E CB -0.123 29.581 29.700 0.006 0.000 0.743 423 E HN 0.781 nan 8.360 nan 0.000 0.453 424 Q N 0.049 119.852 119.800 0.005 0.000 1.993 424 Q HA -0.167 4.177 4.340 0.007 0.000 0.202 424 Q C 2.375 178.341 176.000 -0.058 0.000 0.984 424 Q CA 1.472 57.282 55.803 0.011 0.000 0.837 424 Q CB -0.175 28.665 28.738 0.170 0.000 0.902 424 Q HN 0.380 nan 8.270 nan 0.000 0.423 425 I N 0.856 121.386 120.570 -0.067 0.000 2.264 425 I HA -0.314 3.861 4.170 0.007 0.000 0.248 425 I C 2.433 178.483 176.117 -0.111 0.000 1.111 425 I CA 0.952 62.168 61.300 -0.140 0.000 1.382 425 I CB -0.492 37.392 38.000 -0.193 0.000 1.060 425 I HN 0.199 nan 8.210 nan 0.000 0.418 426 A N 1.359 124.131 122.820 -0.080 0.000 1.858 426 A HA -0.175 4.149 4.320 0.007 0.000 0.216 426 A C 2.254 179.787 177.584 -0.084 0.000 1.190 426 A CA 1.307 53.303 52.037 -0.069 0.000 0.617 426 A CB -0.574 18.391 19.000 -0.058 0.000 0.827 426 A HN 0.255 nan 8.150 nan 0.000 0.443 427 I N 0.267 120.777 120.570 -0.100 0.000 2.068 427 I HA -0.294 3.880 4.170 0.007 0.000 0.238 427 I C 2.589 178.641 176.117 -0.108 0.000 1.046 427 I CA 1.594 62.828 61.300 -0.109 0.000 1.306 427 I CB -1.554 36.370 38.000 -0.126 0.000 1.023 427 I HN 0.321 nan 8.210 nan 0.000 0.399 428 L N 0.173 121.307 121.223 -0.149 0.000 2.051 428 L HA -0.289 4.056 4.340 0.007 0.000 0.214 428 L C 2.621 179.429 176.870 -0.103 0.000 1.076 428 L CA 1.711 56.449 54.840 -0.170 0.000 0.758 428 L CB -0.723 41.173 42.059 -0.272 0.000 0.890 428 L HN 0.308 nan 8.230 nan 0.000 0.433 429 K N -0.367 119.984 120.400 -0.082 0.000 2.057 429 K HA -0.149 4.176 4.320 0.007 0.000 0.207 429 K C 2.250 178.851 176.600 0.002 0.000 1.049 429 K CA 1.093 57.358 56.287 -0.037 0.000 0.931 429 K CB -0.119 32.362 32.500 -0.031 0.000 0.714 429 K HN 0.247 nan 8.250 nan 0.000 0.440 430 R N 0.698 121.193 120.500 -0.009 0.000 2.120 430 R HA -0.058 4.286 4.340 0.007 0.000 0.234 430 R C 1.955 178.318 176.300 0.104 0.000 1.123 430 R CA 0.915 57.035 56.100 0.034 0.000 0.975 430 R CB -0.203 30.040 30.300 -0.096 0.000 0.866 430 R HN 0.186 nan 8.270 nan 0.000 0.446 431 L N -0.389 120.858 121.223 0.040 0.000 2.610 431 L HA 0.065 4.410 4.340 0.007 0.000 0.232 431 L C 1.148 178.061 176.870 0.070 0.000 1.149 431 L CA 0.571 55.446 54.840 0.058 0.000 0.872 431 L CB 0.074 42.131 42.059 -0.004 0.000 0.992 431 L HN 0.476 nan 8.230 nan 0.000 0.447 432 G N -1.281 107.557 108.800 0.063 0.000 2.157 432 G HA2 -0.248 3.716 3.960 0.007 0.000 0.239 432 G HA3 -0.248 3.716 3.960 0.007 0.000 0.239 432 G C 0.294 175.197 174.900 0.005 0.000 0.982 432 G CA -0.120 45.016 45.100 0.060 0.000 0.650 432 G HN 0.307 nan 8.290 nan 0.000 0.527 433 C N 0.329 119.611 119.300 -0.029 0.000 2.604 433 C HA 0.673 5.137 4.460 0.007 0.000 0.396 433 C C 1.152 176.123 174.990 -0.032 0.000 1.282 433 C CA -0.333 58.654 59.018 -0.053 0.000 2.292 433 C CB 0.814 28.497 27.740 -0.094 0.000 2.633 433 C HN 0.592 nan 8.230 nan 0.000 0.620 434 R N 1.099 121.586 120.500 -0.022 0.000 2.346 434 R HA 0.643 4.987 4.340 0.007 0.000 0.311 434 R C -1.541 174.762 176.300 0.005 0.000 0.983 434 R CA -0.251 55.848 56.100 -0.002 0.000 0.880 434 R CB 0.886 31.192 30.300 0.009 0.000 1.100 434 R HN 0.617 nan 8.270 nan 0.000 0.453 435 V N 4.124 124.048 119.914 0.016 0.000 2.407 435 V HA 0.347 4.471 4.120 0.007 0.000 0.291 435 V C -0.492 175.666 176.094 0.106 0.000 1.018 435 V CA -0.690 61.637 62.300 0.046 0.000 0.842 435 V CB 1.535 33.344 31.823 -0.022 0.000 0.996 435 V HN 0.835 nan 8.190 nan 0.000 0.426 436 E N 2.481 122.776 120.200 0.157 0.000 2.244 436 E HA 0.787 5.141 4.350 0.007 0.000 0.266 436 E C 0.306 177.036 176.600 0.217 0.000 0.914 436 E CA -0.098 56.394 56.400 0.154 0.000 0.794 436 E CB 2.267 32.025 29.700 0.096 0.000 1.210 436 E HN 1.075 nan 8.360 nan 0.000 0.414 437 G N 1.228 110.113 108.800 0.141 0.000 2.710 437 G HA2 -0.211 3.753 3.960 0.007 0.000 0.668 437 G HA3 -0.211 3.753 3.960 0.007 0.000 0.668 437 G C -0.295 174.646 174.900 0.069 0.000 1.320 437 G CA -0.217 44.913 45.100 0.050 0.000 0.860 437 G HN 0.665 nan 8.290 nan 0.000 0.538 438 E N -0.000 120.111 120.200 -0.148 0.000 2.968 438 E HA 0.459 4.813 4.350 0.007 0.000 0.202 438 E C 0.978 177.318 176.600 -0.434 0.000 0.979 438 E CA 0.116 56.459 56.400 -0.095 0.000 1.192 438 E CB 0.641 30.347 29.700 0.011 0.000 1.059 438 E HN 2.447 nan 8.360 nan 0.000 0.470 439 G N 3.361 111.440 108.800 -1.201 0.000 2.828 439 G HA2 -0.255 3.709 3.960 0.007 0.000 0.463 439 G HA3 -0.255 3.709 3.960 0.007 0.000 0.463 439 G C -1.308 173.369 174.900 -0.372 0.000 1.394 439 G CA -0.268 44.255 45.100 -0.961 0.000 0.862 439 G HN 0.165 nan 8.290 nan 0.000 0.540 440 P HA 0.050 nan 4.420 nan 0.000 0.222 440 P C 0.953 178.157 177.300 -0.160 0.000 1.147 440 P CA 2.103 65.116 63.100 -0.144 0.000 0.790 440 P CB 0.004 31.665 31.700 -0.067 0.000 0.780 441 T N -1.338 113.085 114.554 -0.218 0.000 2.770 441 T HA 0.414 4.768 4.350 0.007 0.000 0.283 441 T C -0.755 173.855 174.700 -0.151 0.000 0.988 441 T CA -0.697 61.343 62.100 -0.100 0.000 0.957 441 T CB 0.484 69.319 68.868 -0.056 0.000 0.930 441 T HN -0.186 nan 8.240 nan 0.000 0.443 442 Y N 2.056 122.402 120.300 0.076 0.000 2.458 442 Y HA 0.582 5.136 4.550 0.007 0.000 0.322 442 Y C 1.243 177.215 175.900 0.119 0.000 1.259 442 Y CA -1.316 56.854 58.100 0.116 0.000 1.302 442 Y CB 0.976 39.546 38.460 0.184 0.000 1.314 442 Y HN 0.361 nan 8.280 nan 0.000 0.509 443 R N 1.365 122.029 120.500 0.273 0.000 2.247 443 R HA 0.437 4.781 4.340 0.007 0.000 0.329 443 R C -1.726 174.671 176.300 0.163 0.000 1.014 443 R CA -0.428 55.773 56.100 0.168 0.000 0.907 443 R CB 0.664 31.028 30.300 0.106 0.000 1.146 443 R HN 0.408 nan 8.270 nan 0.000 0.499 444 V N 2.953 122.954 119.914 0.144 0.000 2.334 444 V HA 0.189 4.313 4.120 0.007 0.000 0.281 444 V C 0.417 176.529 176.094 0.031 0.000 1.016 444 V CA -0.547 61.794 62.300 0.068 0.000 0.832 444 V CB 1.659 33.493 31.823 0.019 0.000 0.999 444 V HN 0.616 nan 8.190 nan 0.000 0.439 445 T N 7.208 121.769 114.554 0.013 0.000 2.772 445 T HA 0.508 4.862 4.350 0.007 0.000 0.288 445 T C -2.290 172.393 174.700 -0.029 0.000 0.994 445 T CA -1.988 60.112 62.100 -0.001 0.000 0.951 445 T CB 1.677 70.550 68.868 0.009 0.000 0.933 445 T HN 0.496 nan 8.240 nan 0.000 0.447 446 P HA 0.358 nan 4.420 nan 0.000 0.273 446 P C -2.824 174.416 177.300 -0.099 0.000 1.250 446 P CA -1.591 61.456 63.100 -0.088 0.000 0.793 446 P CB -0.427 31.213 31.700 -0.099 0.000 1.011 447 P HA 0.064 nan 4.420 nan 0.000 0.275 447 P C 1.154 178.348 177.300 -0.178 0.000 1.227 447 P CA -0.033 62.971 63.100 -0.160 0.000 0.781 447 P CB 0.177 31.708 31.700 -0.280 0.000 0.906 448 S N 1.501 117.171 115.700 -0.050 0.000 2.440 448 S HA -0.254 4.220 4.470 0.007 0.000 0.238 448 S C 1.575 176.173 174.600 -0.003 0.000 1.010 448 S CA 1.167 59.355 58.200 -0.020 0.000 0.972 448 S CB -1.322 61.890 63.200 0.020 0.000 0.774 448 S HN 0.663 nan 8.310 nan 0.000 0.501 449 H N 0.404 119.465 119.070 -0.014 0.000 2.546 449 H HA 0.197 4.757 4.556 0.007 0.000 0.277 449 H C 0.107 175.425 175.328 -0.017 0.000 1.004 449 H CA 0.161 56.197 56.048 -0.020 0.000 1.231 449 H CB -0.247 29.493 29.762 -0.036 0.000 1.382 449 H HN 0.160 nan 8.280 nan 0.000 0.580 450 R N 1.993 122.305 120.500 -0.313 0.000 2.565 450 R HA 0.206 4.550 4.340 0.007 0.000 0.286 450 R C 1.235 177.483 176.300 -0.087 0.000 1.256 450 R CA -0.254 55.729 56.100 -0.194 0.000 1.238 450 R CB 0.385 30.517 30.300 -0.281 0.000 1.153 450 R HN 0.378 nan 8.270 nan 0.000 0.553 451 L N 0.806 122.012 121.223 -0.029 0.000 2.291 451 L HA -0.119 4.225 4.340 0.007 0.000 0.214 451 L C 1.475 178.340 176.870 -0.008 0.000 1.120 451 L CA 1.018 55.852 54.840 -0.010 0.000 0.799 451 L CB -0.265 41.800 42.059 0.010 0.000 0.925 451 L HN 0.412 nan 8.230 nan 0.000 0.446 452 D N 0.492 120.886 120.400 -0.010 0.000 2.363 452 D HA -0.050 4.594 4.640 0.007 0.000 0.226 452 D C 0.659 176.953 176.300 -0.010 0.000 1.020 452 D CA 0.301 54.299 54.000 -0.005 0.000 0.892 452 D CB 0.069 40.869 40.800 0.000 0.000 0.900 452 D HN 0.289 nan 8.370 nan 0.000 0.531 453 L N 1.030 122.238 121.223 -0.026 0.000 2.301 453 L HA 0.401 4.745 4.340 0.007 0.000 0.278 453 L C 0.953 177.816 176.870 -0.012 0.000 1.022 453 L CA -0.516 54.308 54.840 -0.026 0.000 0.854 453 L CB 1.501 43.525 42.059 -0.058 0.000 1.226 453 L HN -0.219 nan 8.230 nan 0.000 0.429 454 R N 2.027 122.532 120.500 0.009 0.000 2.551 454 R HA 0.417 4.761 4.340 0.007 0.000 0.202 454 R C 0.134 176.456 176.300 0.038 0.000 0.861 454 R CA 0.249 56.361 56.100 0.018 0.000 1.018 454 R CB 0.803 31.114 30.300 0.018 0.000 1.435 454 R HN 0.391 nan 8.270 nan 0.000 0.659 455 L N 0.688 121.943 121.223 0.052 0.000 2.331 455 L HA 0.337 4.682 4.340 0.007 0.000 0.268 455 L C 1.797 178.741 176.870 0.123 0.000 1.015 455 L CA -0.421 54.467 54.840 0.080 0.000 0.807 455 L CB 1.469 43.576 42.059 0.080 0.000 1.293 455 L HN 0.067 nan 8.230 nan 0.000 0.451 456 E N 0.432 120.734 120.200 0.171 0.000 2.110 456 E HA -0.221 4.134 4.350 0.007 0.000 0.193 456 E C 1.332 178.122 176.600 0.316 0.000 0.988 456 E CA 1.485 58.058 56.400 0.288 0.000 0.804 456 E CB 0.347 30.220 29.700 0.288 0.000 0.745 456 E HN 0.655 nan 8.360 nan 0.000 0.458 457 E N 1.116 121.473 120.200 0.262 0.000 2.118 457 E HA -0.190 4.165 4.350 0.007 0.000 0.195 457 E C 1.721 178.399 176.600 0.131 0.000 0.992 457 E CA 1.399 57.922 56.400 0.205 0.000 0.804 457 E CB -0.179 29.620 29.700 0.166 0.000 0.741 457 E HN 0.340 nan 8.360 nan 0.000 0.458 458 D N -0.299 120.165 120.400 0.106 0.000 2.149 458 D HA -0.139 4.506 4.640 0.007 0.000 0.198 458 D C 1.633 177.957 176.300 0.040 0.000 0.990 458 D CA 0.746 54.782 54.000 0.059 0.000 0.839 458 D CB 0.025 40.849 40.800 0.039 0.000 0.948 458 D HN 0.113 nan 8.370 nan 0.000 0.460 459 L N 0.669 121.926 121.223 0.055 0.000 2.156 459 L HA -0.058 4.286 4.340 0.007 0.000 0.208 459 L C 2.608 179.488 176.870 0.016 0.000 1.095 459 L CA 0.821 55.627 54.840 -0.056 0.000 0.770 459 L CB -1.447 40.487 42.059 -0.209 0.000 0.914 459 L HN 0.014 nan 8.230 nan 0.000 0.439 460 V N -1.056 118.973 119.914 0.192 0.000 2.626 460 V HA -0.187 3.938 4.120 0.007 0.000 0.252 460 V C 2.236 178.389 176.094 0.098 0.000 1.067 460 V CA 1.729 64.147 62.300 0.196 0.000 1.081 460 V CB -0.313 31.577 31.823 0.111 0.000 0.686 460 V HN 0.549 nan 8.190 nan 0.000 0.468 461 E N -0.533 119.712 120.200 0.075 0.000 2.152 461 E HA -0.196 4.158 4.350 0.007 0.000 0.192 461 E C 2.116 178.761 176.600 0.076 0.000 0.983 461 E CA 1.102 57.558 56.400 0.092 0.000 0.818 461 E CB 0.010 29.762 29.700 0.087 0.000 0.758 461 E HN 0.685 nan 8.360 nan 0.000 0.467 462 E N 0.309 120.519 120.200 0.016 0.000 2.051 462 E HA -0.144 4.210 4.350 0.007 0.000 0.192 462 E C 2.269 178.851 176.600 -0.029 0.000 0.991 462 E CA 0.868 57.253 56.400 -0.025 0.000 0.799 462 E CB -0.294 29.358 29.700 -0.080 0.000 0.748 462 E HN 0.184 nan 8.360 nan 0.000 0.449 463 V N 1.718 121.614 119.914 -0.029 0.000 2.343 463 V HA -0.265 3.859 4.120 0.007 0.000 0.247 463 V C 2.444 178.514 176.094 -0.041 0.000 1.051 463 V CA 1.842 64.114 62.300 -0.048 0.000 1.036 463 V CB -0.910 30.938 31.823 0.041 0.000 0.654 463 V HN 0.249 nan 8.190 nan 0.000 0.451 464 A N 1.454 124.326 122.820 0.087 0.000 1.858 464 A HA -0.247 4.078 4.320 0.007 0.000 0.216 464 A C 2.364 180.088 177.584 0.232 0.000 1.190 464 A CA 2.125 54.274 52.037 0.188 0.000 0.617 464 A CB -0.558 18.570 19.000 0.214 0.000 0.827 464 A HN 0.682 nan 8.150 nan 0.000 0.443 465 R N -0.585 120.031 120.500 0.194 0.000 2.096 465 R HA -0.051 4.293 4.340 0.007 0.000 0.235 465 R C 1.593 177.878 176.300 -0.024 0.000 1.127 465 R CA 1.642 57.749 56.100 0.012 0.000 0.968 465 R CB -0.616 29.626 30.300 -0.097 0.000 0.861 465 R HN 0.402 nan 8.270 nan 0.000 0.440 466 I N 1.298 121.847 120.570 -0.035 0.000 2.617 466 I HA -0.098 4.076 4.170 0.007 0.000 0.256 466 I C 2.146 178.210 176.117 -0.088 0.000 1.167 466 I CA 1.079 62.345 61.300 -0.058 0.000 1.469 466 I CB -0.812 37.145 38.000 -0.073 0.000 1.098 466 I HN 0.256 nan 8.210 nan 0.000 0.436 467 Q N 0.851 120.571 119.800 -0.134 0.000 2.212 467 Q HA 0.163 4.507 4.340 0.007 0.000 0.199 467 Q C 0.815 176.793 176.000 -0.037 0.000 0.950 467 Q CA 0.770 56.450 55.803 -0.206 0.000 0.863 467 Q CB 0.296 28.683 28.738 -0.585 0.000 0.944 467 Q HN 0.546 nan 8.270 nan 0.000 0.465 468 G N 0.399 109.227 108.800 0.047 0.000 3.434 468 G HA2 -0.188 3.776 3.960 0.007 0.000 0.686 468 G HA3 -0.188 3.776 3.960 0.007 0.000 0.686 468 G C -0.265 174.785 174.900 0.249 0.000 1.099 468 G CA -0.526 44.639 45.100 0.109 0.000 0.931 468 G HN 0.052 nan 8.290 nan 0.000 0.520 469 Y N 1.015 121.333 120.300 0.029 0.000 2.348 469 Y HA -0.179 4.376 4.550 0.007 0.000 0.285 469 Y C 2.606 178.531 175.900 0.041 0.000 1.173 469 Y CA 2.120 60.242 58.100 0.036 0.000 1.263 469 Y CB -0.203 38.266 38.460 0.015 0.000 0.974 469 Y HN 0.854 nan 8.280 nan 0.000 0.547 470 E N -1.511 118.806 120.200 0.194 0.000 2.427 470 E HA -0.071 4.283 4.350 0.007 0.000 0.196 470 E C 1.783 178.444 176.600 0.102 0.000 1.028 470 E CA 1.153 57.623 56.400 0.117 0.000 0.864 470 E CB -0.777 28.974 29.700 0.085 0.000 0.813 470 E HN 0.430 nan 8.360 nan 0.000 0.514 471 T N -1.484 113.153 114.554 0.139 0.000 3.129 471 T HA 0.194 4.549 4.350 0.007 0.000 0.251 471 T C 0.635 175.405 174.700 0.116 0.000 1.117 471 T CA -0.298 61.893 62.100 0.151 0.000 1.034 471 T CB -0.349 68.667 68.868 0.247 0.000 0.968 471 T HN 0.038 nan 8.240 nan 0.000 0.526 472 I N 4.442 125.060 120.570 0.079 0.000 2.337 472 I HA 0.288 4.462 4.170 0.007 0.000 0.291 472 I C -1.697 174.406 176.117 -0.023 0.000 1.046 472 I CA -2.445 58.851 61.300 -0.008 0.000 1.324 472 I CB 0.990 38.959 38.000 -0.052 0.000 1.409 472 I HN 0.145 nan 8.210 nan 0.000 0.494 473 P HA 0.212 nan 4.420 nan 0.000 0.274 473 P C -0.981 176.296 177.300 -0.038 0.000 1.256 473 P CA -0.470 62.608 63.100 -0.037 0.000 0.795 473 P CB 0.963 32.633 31.700 -0.049 0.000 1.038 474 L N 0.353 121.558 121.223 -0.029 0.000 2.325 474 L HA 0.725 5.069 4.340 0.007 0.000 0.279 474 L C 0.535 177.386 176.870 -0.032 0.000 1.054 474 L CA -0.119 54.703 54.840 -0.029 0.000 0.804 474 L CB 0.858 42.905 42.059 -0.021 0.000 1.200 474 L HN 0.651 nan 8.230 nan 0.000 0.436 475 A N 2.866 125.665 122.820 -0.034 0.000 2.610 475 A HA 0.865 5.189 4.320 0.007 0.000 0.291 475 A C -1.802 175.762 177.584 -0.034 0.000 1.086 475 A CA -0.527 51.490 52.037 -0.034 0.000 0.677 475 A CB 1.173 20.152 19.000 -0.035 0.000 1.278 475 A HN 0.507 nan 8.150 nan 0.000 0.414 476 L N 2.043 123.243 121.223 -0.039 0.000 2.365 476 L HA 0.616 4.961 4.340 0.007 0.000 0.273 476 L C -1.919 174.920 176.870 -0.051 0.000 1.000 476 L CA -1.548 53.262 54.840 -0.049 0.000 0.819 476 L CB 2.075 44.096 42.059 -0.064 0.000 1.284 476 L HN 0.729 nan 8.230 nan 0.000 0.418 477 P HA 0.582 nan 4.420 nan 0.000 0.281 477 P C -1.404 175.806 177.300 -0.149 0.000 1.249 477 P CA -0.465 62.623 63.100 -0.019 0.000 0.810 477 P CB 1.972 33.734 31.700 0.104 0.000 1.008 478 A N 2.297 125.052 122.820 -0.108 0.000 2.371 478 A HA 0.856 5.180 4.320 0.007 0.000 0.311 478 A C -0.974 176.534 177.584 -0.126 0.000 1.068 478 A CA -0.546 51.344 52.037 -0.246 0.000 0.744 478 A CB 0.851 19.748 19.000 -0.172 0.000 1.239 478 A HN 0.624 nan 8.150 nan 0.000 0.435 479 F N -1.061 118.745 119.950 -0.240 0.000 2.843 479 F HA 0.593 5.125 4.527 0.007 0.000 0.323 479 F C -2.115 173.505 175.800 -0.300 0.000 1.142 479 F CA -2.043 55.826 58.000 -0.218 0.000 0.925 479 F CB 0.202 39.165 39.000 -0.062 0.000 1.277 479 F HN 0.335 nan 8.300 nan 0.000 0.446 480 F N 3.789 123.938 119.950 0.333 0.000 2.404 480 F HA 0.559 5.090 4.527 0.007 0.000 0.358 480 F C -1.796 174.201 175.800 0.328 0.000 1.120 480 F CA -1.764 56.366 58.000 0.217 0.000 1.144 480 F CB 0.550 39.618 39.000 0.113 0.000 1.133 480 F HN 0.255 nan 8.300 nan 0.000 0.495 481 P HA 0.148 nan 4.420 nan 0.000 0.269 481 P C -0.564 176.859 177.300 0.205 0.000 1.209 481 P CA -0.357 62.959 63.100 0.360 0.000 0.776 481 P CB 0.812 32.686 31.700 0.291 0.000 0.876 482 A N 4.951 127.838 122.820 0.111 0.000 2.520 482 A HA 0.155 4.479 4.320 0.007 0.000 0.235 482 A C -1.045 176.578 177.584 0.066 0.000 1.065 482 A CA -0.731 51.345 52.037 0.065 0.000 0.764 482 A CB -1.107 17.904 19.000 0.018 0.000 1.002 482 A HN 0.411 nan 8.150 nan 0.000 0.502 483 P HA -0.227 nan 4.420 nan 0.000 0.216 483 P C 0.670 177.992 177.300 0.036 0.000 1.157 483 P CA 1.930 65.055 63.100 0.041 0.000 0.880 483 P CB -0.111 31.605 31.700 0.026 0.000 0.791 484 D N -2.161 118.256 120.400 0.028 0.000 2.390 484 D HA -0.111 4.533 4.640 0.007 0.000 0.235 484 D C 0.974 177.291 176.300 0.029 0.000 1.040 484 D CA 0.625 54.640 54.000 0.025 0.000 0.923 484 D CB -1.077 39.733 40.800 0.017 0.000 0.886 484 D HN 0.159 nan 8.370 nan 0.000 0.532 485 N N 0.048 118.772 118.700 0.040 0.000 2.236 485 N HA 0.030 4.774 4.740 0.007 0.000 0.196 485 N C -0.015 175.522 175.510 0.046 0.000 1.114 485 N CA -0.187 52.889 53.050 0.044 0.000 0.859 485 N CB 0.398 38.920 38.487 0.059 0.000 0.982 485 N HN 0.117 nan 8.380 nan 0.000 0.493 486 R N 0.617 121.143 120.500 0.044 0.000 2.537 486 R HA 0.136 4.480 4.340 0.007 0.000 0.280 486 R C 1.119 177.440 176.300 0.034 0.000 1.058 486 R CA 0.282 56.407 56.100 0.041 0.000 1.057 486 R CB -0.094 30.230 30.300 0.040 0.000 0.973 486 R HN 0.216 nan 8.270 nan 0.000 0.438 487 G N 1.443 110.263 108.800 0.033 0.000 2.212 487 G HA2 -0.314 3.650 3.960 0.007 0.000 0.267 487 G HA3 -0.314 3.650 3.960 0.007 0.000 0.267 487 G C 0.832 175.753 174.900 0.034 0.000 1.002 487 G CA 0.575 45.694 45.100 0.032 0.000 0.729 487 G HN 0.501 nan 8.290 nan 0.000 0.517 488 V N 0.630 120.563 119.914 0.033 0.000 2.867 488 V HA -0.053 4.071 4.120 0.007 0.000 0.260 488 V C 2.427 178.545 176.094 0.039 0.000 1.099 488 V CA 2.806 65.126 62.300 0.033 0.000 1.122 488 V CB -0.001 31.840 31.823 0.029 0.000 0.708 488 V HN 0.867 nan 8.190 nan 0.000 0.490 489 E N -0.677 119.548 120.200 0.041 0.000 2.474 489 E HA 0.150 4.504 4.350 0.007 0.000 0.195 489 E C 1.908 178.567 176.600 0.098 0.000 1.039 489 E CA 0.704 57.141 56.400 0.061 0.000 0.881 489 E CB -0.025 29.694 29.700 0.030 0.000 0.970 489 E HN 0.497 nan 8.360 nan 0.000 0.486 490 A N 2.737 125.598 122.820 0.068 0.000 1.869 490 A HA -0.162 4.162 4.320 0.007 0.000 0.218 490 A C -0.122 177.502 177.584 0.068 0.000 1.203 490 A CA 1.807 53.880 52.037 0.060 0.000 0.638 490 A CB -1.644 17.380 19.000 0.040 0.000 0.831 490 A HN 0.312 nan 8.150 nan 0.000 0.450 491 P HA -0.235 nan 4.420 nan 0.000 0.214 491 P C 1.584 178.924 177.300 0.066 0.000 1.169 491 P CA 1.697 64.829 63.100 0.055 0.000 0.908 491 P CB -0.269 31.467 31.700 0.059 0.000 0.791 492 Y N 0.640 120.940 120.300 -0.000 0.000 2.165 492 Y HA -0.229 4.325 4.550 0.007 0.000 0.286 492 Y C 2.344 178.244 175.900 -0.000 0.000 1.155 492 Y CA 1.675 59.775 58.100 0.000 0.000 1.164 492 Y CB -0.535 37.928 38.460 0.005 0.000 0.978 492 Y HN -0.218 nan 8.280 nan 0.000 0.513 493 R N 0.188 120.812 120.500 0.205 0.000 2.096 493 R HA -0.171 4.173 4.340 0.007 0.000 0.235 493 R C 2.408 178.700 176.300 -0.013 0.000 1.127 493 R CA 1.620 57.788 56.100 0.113 0.000 0.968 493 R CB -0.299 30.070 30.300 0.115 0.000 0.861 493 R HN 0.312 nan 8.270 nan 0.000 0.440 494 K N 1.230 121.619 120.400 -0.019 0.000 2.032 494 K HA -0.227 4.097 4.320 0.007 0.000 0.209 494 K C 2.001 178.547 176.600 -0.091 0.000 1.048 494 K CA 1.756 58.016 56.287 -0.045 0.000 0.927 494 K CB -0.012 32.471 32.500 -0.028 0.000 0.712 494 K HN 0.134 nan 8.250 nan 0.000 0.441 495 E N -0.143 119.978 120.200 -0.131 0.000 2.204 495 E HA -0.221 4.133 4.350 0.007 0.000 0.194 495 E C 1.999 178.490 176.600 -0.182 0.000 0.989 495 E CA 0.830 57.134 56.400 -0.161 0.000 0.824 495 E CB 0.162 29.748 29.700 -0.190 0.000 0.756 495 E HN 0.217 nan 8.360 nan 0.000 0.477 496 Q N 0.592 120.257 119.800 -0.224 0.000 2.079 496 Q HA -0.063 4.281 4.340 0.007 0.000 0.200 496 Q C 2.084 178.027 176.000 -0.094 0.000 0.974 496 Q CA 1.196 56.896 55.803 -0.172 0.000 0.840 496 Q CB -0.052 28.589 28.738 -0.163 0.000 0.898 496 Q HN 0.101 nan 8.270 nan 0.000 0.430 497 R N -0.080 120.369 120.500 -0.085 0.000 2.083 497 R HA -0.149 4.195 4.340 0.007 0.000 0.237 497 R C 2.167 178.397 176.300 -0.117 0.000 1.137 497 R CA 1.092 57.146 56.100 -0.078 0.000 0.951 497 R CB -1.067 29.193 30.300 -0.067 0.000 0.851 497 R HN 0.312 nan 8.270 nan 0.000 0.434 498 L N 1.615 122.754 121.223 -0.141 0.000 1.990 498 L HA -0.219 4.125 4.340 0.007 0.000 0.213 498 L C 2.356 179.079 176.870 -0.244 0.000 1.072 498 L CA 1.862 56.580 54.840 -0.203 0.000 0.755 498 L CB -0.428 41.518 42.059 -0.187 0.000 0.889 498 L HN 0.055 nan 8.230 nan 0.000 0.432 499 R N -0.439 119.972 120.500 -0.147 0.000 2.081 499 R HA -0.163 4.181 4.340 0.007 0.000 0.235 499 R C 2.115 178.352 176.300 -0.104 0.000 1.131 499 R CA 1.801 57.856 56.100 -0.075 0.000 0.960 499 R CB -0.514 29.860 30.300 0.123 0.000 0.856 499 R HN 0.583 nan 8.270 nan 0.000 0.436 500 E N 0.328 120.486 120.200 -0.070 0.000 2.106 500 E HA -0.129 4.225 4.350 0.007 0.000 0.192 500 E C 2.089 178.634 176.600 -0.090 0.000 0.984 500 E CA 1.213 57.585 56.400 -0.047 0.000 0.806 500 E CB 0.000 29.682 29.700 -0.030 0.000 0.750 500 E HN 0.104 nan 8.360 nan 0.000 0.458 501 V N 1.655 121.481 119.914 -0.146 0.000 2.427 501 V HA -0.234 3.890 4.120 0.007 0.000 0.248 501 V C 2.312 178.283 176.094 -0.205 0.000 1.051 501 V CA 1.313 63.519 62.300 -0.158 0.000 1.048 501 V CB -0.435 31.273 31.823 -0.191 0.000 0.666 501 V HN 0.244 nan 8.190 nan 0.000 0.456 502 L N 0.887 121.890 121.223 -0.366 0.000 2.012 502 L HA -0.187 4.157 4.340 0.007 0.000 0.210 502 L C 2.743 179.481 176.870 -0.221 0.000 1.073 502 L CA 2.054 56.568 54.840 -0.543 0.000 0.748 502 L CB -0.819 40.504 42.059 -1.228 0.000 0.891 502 L HN 0.559 nan 8.230 nan 0.000 0.431 503 S N -0.504 115.120 115.700 -0.128 0.000 2.419 503 S HA -0.095 4.379 4.470 0.007 0.000 0.233 503 S C 1.909 176.548 174.600 0.066 0.000 1.016 503 S CA 0.915 59.166 58.200 0.085 0.000 0.974 503 S CB -0.715 62.568 63.200 0.138 0.000 0.786 503 S HN 0.458 nan 8.310 nan 0.000 0.492 504 G N 0.733 109.544 108.800 0.018 0.000 2.603 504 G HA2 0.217 4.181 3.960 0.007 0.000 0.214 504 G HA3 0.217 4.181 3.960 0.007 0.000 0.214 504 G C 1.267 176.203 174.900 0.060 0.000 1.140 504 G CA 0.092 45.210 45.100 0.030 0.000 0.800 504 G HN 0.469 nan 8.290 nan 0.000 0.533 505 L N -0.565 120.708 121.223 0.083 0.000 2.270 505 L HA 0.270 4.614 4.340 0.007 0.000 0.210 505 L C 1.947 178.978 176.870 0.268 0.000 1.104 505 L CA 1.213 56.162 54.840 0.182 0.000 0.804 505 L CB 0.277 42.458 42.059 0.204 0.000 0.937 505 L HN 0.386 nan 8.230 nan 0.000 0.450 506 G N -1.798 107.114 108.800 0.185 0.000 2.672 506 G HA2 -0.177 3.788 3.960 0.007 0.000 0.197 506 G HA3 -0.177 3.788 3.960 0.007 0.000 0.197 506 G C 0.006 174.879 174.900 -0.045 0.000 0.995 506 G CA -0.621 44.502 45.100 0.039 0.000 0.754 506 G HN 0.046 nan 8.290 nan 0.000 0.505 507 F N 1.675 121.576 119.950 -0.081 0.000 2.471 507 F HA 0.629 5.160 4.527 0.008 0.000 0.353 507 F C 0.753 176.707 175.800 0.257 0.000 1.113 507 F CA -0.238 57.794 58.000 0.053 0.000 1.262 507 F CB 1.294 40.301 39.000 0.013 0.000 1.146 507 F HN 0.081 nan 8.300 nan 0.000 0.578 508 Q N 2.897 122.941 119.800 0.407 0.000 2.314 508 Q HA 0.199 4.543 4.340 0.007 0.000 0.259 508 Q C -0.594 175.486 176.000 0.133 0.000 0.951 508 Q CA -0.510 55.447 55.803 0.256 0.000 0.909 508 Q CB 1.086 29.883 28.738 0.099 0.000 1.236 508 Q HN 0.650 nan 8.270 nan 0.000 0.444 509 E N 2.337 122.478 120.200 -0.098 0.000 2.354 509 E HA 0.434 4.788 4.350 0.007 0.000 0.269 509 E C -1.198 175.199 176.600 -0.340 0.000 1.036 509 E CA -0.445 55.506 56.400 -0.749 0.000 0.876 509 E CB 0.756 30.072 29.700 -0.640 0.000 1.009 509 E HN 0.477 nan 8.360 nan 0.000 0.416 510 V N 4.301 124.023 119.914 -0.321 0.000 2.760 510 V HA 0.242 4.366 4.120 0.007 0.000 0.309 510 V C -1.387 174.738 176.094 0.052 0.000 1.077 510 V CA -0.879 61.357 62.300 -0.106 0.000 0.910 510 V CB 1.455 33.218 31.823 -0.100 0.000 1.008 510 V HN 0.599 nan 8.190 nan 0.000 0.424 511 Y N 1.726 121.897 120.300 -0.216 0.000 2.331 511 Y HA 0.702 5.256 4.550 0.007 0.000 0.338 511 Y C 0.621 176.386 175.900 -0.225 0.000 0.992 511 Y CA -0.780 57.192 58.100 -0.215 0.000 1.121 511 Y CB 2.128 40.465 38.460 -0.207 0.000 1.184 511 Y HN 0.613 nan 8.280 nan 0.000 0.469 512 T N 3.529 118.013 114.554 -0.118 0.000 2.876 512 T HA 0.326 4.681 4.350 0.007 0.000 0.289 512 T C -0.952 173.664 174.700 -0.139 0.000 1.014 512 T CA -0.812 61.209 62.100 -0.132 0.000 0.986 512 T CB 0.579 69.395 68.868 -0.086 0.000 1.021 512 T HN 0.187 nan 8.240 nan 0.000 0.458 513 Y N 1.392 121.664 120.300 -0.046 0.000 2.903 513 Y HA -0.059 4.495 4.550 0.007 0.000 0.338 513 Y C 2.087 177.899 175.900 -0.147 0.000 1.265 513 Y CA 0.439 58.482 58.100 -0.094 0.000 1.532 513 Y CB 0.226 38.688 38.460 0.003 0.000 1.293 513 Y HN 0.670 nan 8.280 nan 0.000 0.609 514 S N 2.110 117.755 115.700 -0.092 0.000 2.515 514 S HA -0.024 4.450 4.470 0.007 0.000 0.231 514 S C 0.295 174.849 174.600 -0.077 0.000 0.987 514 S CA 0.144 58.285 58.200 -0.099 0.000 0.936 514 S CB -0.367 62.761 63.200 -0.119 0.000 0.766 514 S HN 0.356 nan 8.310 nan 0.000 0.528 515 F N 1.097 121.086 119.950 0.066 0.000 2.408 515 F HA 0.514 5.045 4.527 0.007 0.000 0.303 515 F C 0.370 176.162 175.800 -0.013 0.000 1.268 515 F CA -0.841 57.151 58.000 -0.012 0.000 1.218 515 F CB 0.250 39.212 39.000 -0.063 0.000 1.283 515 F HN 0.018 nan 8.300 nan 0.000 0.545 516 M N 0.696 120.417 119.600 0.201 0.000 2.520 516 M HA 0.241 4.725 4.480 0.007 0.000 0.280 516 M C -2.123 174.198 176.300 0.036 0.000 1.232 516 M CA -0.722 54.623 55.300 0.075 0.000 0.892 516 M CB 2.186 34.812 32.600 0.043 0.000 1.728 516 M HN 0.541 nan 8.290 nan 0.000 0.475 517 D N 4.117 124.530 120.400 0.023 0.000 2.317 517 D HA 0.326 4.970 4.640 0.007 0.000 0.234 517 D C -2.085 174.231 176.300 0.027 0.000 1.112 517 D CA -1.546 52.465 54.000 0.018 0.000 0.840 517 D CB 1.949 42.770 40.800 0.035 0.000 1.078 517 D HN 0.313 nan 8.370 nan 0.000 0.486 518 P HA -0.179 nan 4.420 nan 0.000 0.218 518 P C 0.909 178.231 177.300 0.037 0.000 1.147 518 P CA 1.031 64.144 63.100 0.022 0.000 0.827 518 P CB 0.492 32.196 31.700 0.006 0.000 0.778 519 E N -0.541 119.682 120.200 0.039 0.000 2.107 519 E HA -0.147 4.207 4.350 0.007 0.000 0.191 519 E C 1.391 178.042 176.600 0.086 0.000 0.982 519 E CA 1.101 57.529 56.400 0.047 0.000 0.809 519 E CB -0.926 28.795 29.700 0.035 0.000 0.756 519 E HN 0.184 nan 8.360 nan 0.000 0.459 520 D N -0.359 120.122 120.400 0.135 0.000 2.311 520 D HA -0.132 4.512 4.640 0.007 0.000 0.212 520 D C 1.525 177.976 176.300 0.252 0.000 0.972 520 D CA 1.032 55.205 54.000 0.289 0.000 0.887 520 D CB -0.176 40.785 40.800 0.269 0.000 0.915 520 D HN 0.281 nan 8.370 nan 0.000 0.497 521 A N 0.342 123.238 122.820 0.127 0.000 1.902 521 A HA -0.199 4.126 4.320 0.007 0.000 0.217 521 A C 2.157 179.806 177.584 0.109 0.000 1.181 521 A CA 1.380 53.478 52.037 0.102 0.000 0.623 521 A CB -0.335 18.708 19.000 0.072 0.000 0.818 521 A HN 0.142 nan 8.150 nan 0.000 0.443 522 R N -0.763 119.787 120.500 0.083 0.000 2.066 522 R HA -0.014 4.330 4.340 0.007 0.000 0.224 522 R C 2.442 178.759 176.300 0.028 0.000 1.122 522 R CA 0.781 56.910 56.100 0.048 0.000 0.974 522 R CB -0.255 30.059 30.300 0.023 0.000 0.871 522 R HN 0.482 nan 8.270 nan 0.000 0.435 523 R N -0.261 120.252 120.500 0.021 0.000 2.097 523 R HA -0.164 4.180 4.340 0.007 0.000 0.236 523 R C 1.920 178.095 176.300 -0.208 0.000 1.135 523 R CA 1.923 57.947 56.100 -0.127 0.000 0.934 523 R CB -0.489 29.697 30.300 -0.190 0.000 0.846 523 R HN 0.240 nan 8.270 nan 0.000 0.431 524 F N 0.627 120.603 119.950 0.043 0.000 2.773 524 F HA 0.187 4.718 4.527 0.007 0.000 0.304 524 F C 0.193 176.095 175.800 0.171 0.000 1.129 524 F CA -0.128 57.943 58.000 0.119 0.000 1.378 524 F CB -0.019 39.029 39.000 0.080 0.000 1.095 524 F HN -0.064 nan 8.300 nan 0.000 0.565 525 R N 0.915 121.539 120.500 0.207 0.000 2.994 525 R HA -0.165 4.180 4.340 0.007 0.000 0.267 525 R C -1.339 175.112 176.300 0.252 0.000 0.914 525 R CA 0.155 56.356 56.100 0.169 0.000 0.668 525 R CB -2.496 27.866 30.300 0.103 0.000 1.524 525 R HN 0.328 nan 8.270 nan 0.000 0.478 526 L N 0.072 121.406 121.223 0.184 0.000 2.350 526 L HA 0.502 4.846 4.340 0.007 0.000 0.260 526 L C 0.232 177.190 176.870 0.146 0.000 1.015 526 L CA -1.400 53.539 54.840 0.164 0.000 0.821 526 L CB 1.616 43.694 42.059 0.031 0.000 1.370 526 L HN -0.030 nan 8.230 nan 0.000 0.416 527 D N 1.813 122.319 120.400 0.177 0.000 2.368 527 D HA 0.174 4.818 4.640 0.007 0.000 0.240 527 D C -2.160 174.213 176.300 0.122 0.000 1.169 527 D CA -0.613 53.472 54.000 0.142 0.000 0.906 527 D CB 0.254 41.150 40.800 0.159 0.000 1.187 527 D HN 0.260 nan 8.370 nan 0.000 0.435 528 P HA 0.167 nan 4.420 nan 0.000 0.269 528 P C -2.576 174.772 177.300 0.080 0.000 1.209 528 P CA -1.012 62.133 63.100 0.076 0.000 0.776 528 P CB -0.348 31.387 31.700 0.058 0.000 0.876 529 P HA 0.186 nan 4.420 nan 0.000 0.267 529 P C 1.004 178.339 177.300 0.058 0.000 1.205 529 P CA -0.046 63.095 63.100 0.068 0.000 0.765 529 P CB 0.450 32.181 31.700 0.052 0.000 0.828 530 R N 3.201 123.741 120.500 0.068 0.000 2.093 530 R HA 0.076 4.420 4.340 0.007 0.000 0.224 530 R C 0.270 176.592 176.300 0.037 0.000 1.101 530 R CA 0.763 56.898 56.100 0.057 0.000 0.979 530 R CB -0.031 30.311 30.300 0.070 0.000 0.877 530 R HN 0.410 nan 8.270 nan 0.000 0.441 531 L N 2.154 123.394 121.223 0.028 0.000 2.309 531 L HA 0.432 4.776 4.340 0.007 0.000 0.282 531 L C -0.597 176.258 176.870 -0.025 0.000 1.036 531 L CA -0.693 54.140 54.840 -0.012 0.000 0.806 531 L CB 1.839 43.863 42.059 -0.059 0.000 1.220 531 L HN 0.100 nan 8.230 nan 0.000 0.429 532 L N 3.036 124.242 121.223 -0.028 0.000 2.309 532 L HA 0.539 4.883 4.340 0.007 0.000 0.261 532 L C -1.039 175.806 176.870 -0.041 0.000 1.021 532 L CA -1.018 53.804 54.840 -0.031 0.000 0.823 532 L CB 2.353 44.399 42.059 -0.022 0.000 1.366 532 L HN 0.332 nan 8.230 nan 0.000 0.423 533 L N 1.661 122.853 121.223 -0.053 0.000 2.264 533 L HA 0.285 4.629 4.340 0.007 0.000 0.289 533 L C 0.946 177.780 176.870 -0.060 0.000 1.044 533 L CA 0.167 54.970 54.840 -0.062 0.000 0.807 533 L CB 1.169 43.166 42.059 -0.104 0.000 1.192 533 L HN 0.509 nan 8.230 nan 0.000 0.425 534 L N 2.548 123.744 121.223 -0.046 0.000 2.201 534 L HA -0.050 4.294 4.340 0.007 0.000 0.212 534 L C 0.452 177.292 176.870 -0.050 0.000 1.105 534 L CA 0.721 55.537 54.840 -0.040 0.000 0.775 534 L CB -0.239 41.804 42.059 -0.027 0.000 0.913 534 L HN 0.843 nan 8.230 nan 0.000 0.440 535 N N -0.492 118.172 118.700 -0.061 0.000 2.752 535 N HA 0.257 5.001 4.740 0.007 0.000 0.260 535 N C -2.784 172.659 175.510 -0.113 0.000 1.562 535 N CA -1.140 51.868 53.050 -0.071 0.000 0.788 535 N CB 0.214 38.672 38.487 -0.049 0.000 1.192 535 N HN -0.032 nan 8.380 nan 0.000 0.503 536 P HA 0.204 nan 4.420 nan 0.000 0.274 536 P C 1.047 178.197 177.300 -0.249 0.000 1.246 536 P CA -0.560 62.380 63.100 -0.265 0.000 0.795 536 P CB 1.912 33.454 31.700 -0.263 0.000 1.006 537 L N -0.368 120.645 121.223 -0.350 0.000 2.313 537 L HA 0.151 4.496 4.340 0.007 0.000 0.214 537 L C 1.240 177.990 176.870 -0.200 0.000 1.119 537 L CA 1.007 55.699 54.840 -0.248 0.000 0.809 537 L CB -0.374 41.516 42.059 -0.282 0.000 0.933 537 L HN 0.530 nan 8.230 nan 0.000 0.449 538 A N -1.488 121.193 122.820 -0.231 0.000 2.586 538 A HA 0.461 4.785 4.320 0.007 0.000 0.291 538 A C -2.261 175.224 177.584 -0.164 0.000 1.062 538 A CA -0.669 51.270 52.037 -0.162 0.000 0.666 538 A CB 0.327 19.244 19.000 -0.140 0.000 1.281 538 A HN -0.217 nan 8.150 nan 0.000 0.421 539 P HA -0.045 nan 4.420 nan 0.000 0.229 539 P C 0.470 177.718 177.300 -0.085 0.000 1.160 539 P CA 1.234 64.279 63.100 -0.092 0.000 0.777 539 P CB 0.320 31.983 31.700 -0.062 0.000 0.814 540 E N 0.377 120.525 120.200 -0.085 0.000 2.427 540 E HA -0.036 4.318 4.350 0.007 0.000 0.196 540 E C 0.958 177.510 176.600 -0.080 0.000 1.028 540 E CA 0.857 57.222 56.400 -0.058 0.000 0.864 540 E CB -0.286 29.390 29.700 -0.040 0.000 0.813 540 E HN 0.361 nan 8.360 nan 0.000 0.514 541 K N -0.491 119.806 120.400 -0.171 0.000 2.758 541 K HA 0.387 4.711 4.320 0.007 0.000 0.208 541 K C 0.620 177.000 176.600 -0.366 0.000 1.091 541 K CA 0.097 56.212 56.287 -0.287 0.000 1.059 541 K CB 1.298 33.463 32.500 -0.558 0.000 0.801 541 K HN -0.011 nan 8.250 nan 0.000 0.470 542 A N 0.760 123.463 122.820 -0.195 0.000 2.169 542 A HA 0.301 4.625 4.320 0.007 0.000 0.212 542 A C 0.973 178.502 177.584 -0.092 0.000 1.153 542 A CA 0.601 52.542 52.037 -0.161 0.000 0.756 542 A CB 0.135 19.071 19.000 -0.107 0.000 0.813 542 A HN 0.333 nan 8.150 nan 0.000 0.471 543 A N -0.980 121.817 122.820 -0.038 0.000 2.387 543 A HA 0.761 5.085 4.320 0.007 0.000 0.298 543 A C -0.768 176.854 177.584 0.062 0.000 1.165 543 A CA -0.612 51.428 52.037 0.005 0.000 0.814 543 A CB 0.743 19.751 19.000 0.013 0.000 1.357 543 A HN 0.233 nan 8.150 nan 0.000 0.443 544 L N 1.721 122.957 121.223 0.021 0.000 2.287 544 L HA 0.415 4.759 4.340 0.007 0.000 0.287 544 L C 0.767 177.706 176.870 0.114 0.000 1.022 544 L CA -0.798 54.038 54.840 -0.006 0.000 0.814 544 L CB 1.311 43.170 42.059 -0.335 0.000 1.217 544 L HN 0.945 nan 8.230 nan 0.000 0.420 545 R N 0.739 121.329 120.500 0.150 0.000 2.619 545 R HA -0.032 4.312 4.340 0.007 0.000 0.268 545 R C 0.424 176.779 176.300 0.092 0.000 0.990 545 R CA 0.699 56.852 56.100 0.090 0.000 1.092 545 R CB -0.020 30.293 30.300 0.021 0.000 0.935 545 R HN 0.779 nan 8.270 nan 0.000 0.415 546 T N -1.612 112.948 114.554 0.010 0.000 2.990 546 T HA 0.130 4.484 4.350 0.007 0.000 0.249 546 T C 0.017 174.533 174.700 -0.307 0.000 1.039 546 T CA 0.003 62.075 62.100 -0.046 0.000 1.036 546 T CB 0.022 68.962 68.868 0.120 0.000 0.994 546 T HN 0.766 nan 8.240 nan 0.000 0.489 547 H N -1.017 117.876 119.070 -0.294 0.000 2.865 547 H HA 0.665 5.225 4.556 0.007 0.000 0.372 547 H C -0.108 174.979 175.328 -0.402 0.000 1.173 547 H CA -1.018 54.805 56.048 -0.376 0.000 1.147 547 H CB 1.844 31.298 29.762 -0.513 0.000 1.805 547 H HN -0.094 nan 8.280 nan 0.000 0.553 548 L N 0.933 122.031 121.223 -0.208 0.000 2.408 548 L HA 0.062 4.406 4.340 0.007 0.000 0.215 548 L C 1.659 178.429 176.870 -0.166 0.000 1.081 548 L CA 0.697 55.424 54.840 -0.188 0.000 0.840 548 L CB -0.492 41.489 42.059 -0.130 0.000 1.002 548 L HN 0.682 nan 8.230 nan 0.000 0.468 549 F N 0.032 119.915 119.950 -0.111 0.000 2.234 549 F HA 0.065 4.597 4.527 0.008 0.000 0.299 549 F C -0.741 174.937 175.800 -0.203 0.000 1.087 549 F CA 0.284 58.211 58.000 -0.121 0.000 1.340 549 F CB -2.538 36.449 39.000 -0.022 0.000 1.031 549 F HN 0.092 nan 8.300 nan 0.000 0.500 550 P HA -0.053 nan 4.420 nan 0.000 0.215 550 P C 2.051 179.016 177.300 -0.558 0.000 1.153 550 P CA 2.448 64.889 63.100 -1.099 0.000 0.853 550 P CB -0.454 30.357 31.700 -1.482 0.000 0.788 551 G N -0.619 107.961 108.800 -0.367 0.000 2.422 551 G HA2 -0.196 3.768 3.960 0.007 0.000 0.218 551 G HA3 -0.196 3.768 3.960 0.007 0.000 0.218 551 G C 1.471 176.314 174.900 -0.094 0.000 1.140 551 G CA 0.424 45.414 45.100 -0.182 0.000 0.775 551 G HN 0.221 nan 8.290 nan 0.000 0.545 552 L N 0.056 121.236 121.223 -0.072 0.000 2.072 552 L HA -0.029 4.315 4.340 0.007 0.000 0.205 552 L C 2.961 179.852 176.870 0.034 0.000 1.079 552 L CA 0.337 55.172 54.840 -0.008 0.000 0.752 552 L CB -0.413 41.656 42.059 0.017 0.000 0.906 552 L HN 0.069 nan 8.230 nan 0.000 0.436 553 V N -0.086 119.879 119.914 0.086 0.000 2.392 553 V HA -0.288 3.836 4.120 0.007 0.000 0.249 553 V C 2.662 178.820 176.094 0.106 0.000 1.059 553 V CA 1.691 64.080 62.300 0.148 0.000 1.051 553 V CB -0.597 31.435 31.823 0.349 0.000 0.658 553 V HN 0.404 nan 8.190 nan 0.000 0.455 554 R N 0.030 120.579 120.500 0.082 0.000 2.061 554 R HA -0.134 4.210 4.340 0.007 0.000 0.230 554 R C 2.381 178.701 176.300 0.033 0.000 1.140 554 R CA 1.835 57.982 56.100 0.079 0.000 0.940 554 R CB -0.825 29.511 30.300 0.060 0.000 0.839 554 R HN 0.588 nan 8.270 nan 0.000 0.429 555 V N 0.418 120.340 119.914 0.013 0.000 2.453 555 V HA -0.238 3.887 4.120 0.007 0.000 0.252 555 V C 2.173 178.261 176.094 -0.010 0.000 1.068 555 V CA 1.764 64.066 62.300 0.003 0.000 1.070 555 V CB -0.836 30.983 31.823 -0.006 0.000 0.664 555 V HN 0.207 nan 8.190 nan 0.000 0.461 556 L N 0.393 121.601 121.223 -0.025 0.000 1.994 556 L HA -0.081 4.263 4.340 0.007 0.000 0.208 556 L C 2.490 179.290 176.870 -0.116 0.000 1.071 556 L CA 2.337 57.123 54.840 -0.090 0.000 0.745 556 L CB -1.258 40.712 42.059 -0.147 0.000 0.892 556 L HN 0.272 nan 8.230 nan 0.000 0.431 557 K N 0.451 120.803 120.400 -0.079 0.000 2.009 557 K HA -0.225 4.099 4.320 0.007 0.000 0.210 557 K C 2.013 178.595 176.600 -0.030 0.000 1.049 557 K CA 2.251 58.502 56.287 -0.061 0.000 0.929 557 K CB -0.399 32.093 32.500 -0.013 0.000 0.714 557 K HN 0.607 nan 8.250 nan 0.000 0.440 558 E N 0.218 120.414 120.200 -0.006 0.000 2.219 558 E HA -0.172 4.182 4.350 0.007 0.000 0.198 558 E C 1.789 178.392 176.600 0.005 0.000 0.998 558 E CA 0.835 57.240 56.400 0.007 0.000 0.818 558 E CB -0.069 29.641 29.700 0.018 0.000 0.741 558 E HN 0.294 nan 8.360 nan 0.000 0.477 559 N N 0.239 118.937 118.700 -0.003 0.000 2.376 559 N HA -0.008 4.736 4.740 0.007 0.000 0.177 559 N C 1.709 177.231 175.510 0.020 0.000 1.024 559 N CA 0.537 53.594 53.050 0.011 0.000 0.893 559 N CB 0.203 38.701 38.487 0.018 0.000 0.980 559 N HN 0.185 nan 8.380 nan 0.000 0.439 560 L N 0.508 121.729 121.223 -0.004 0.000 2.240 560 L HA -0.060 4.285 4.340 0.007 0.000 0.211 560 L C 1.345 178.227 176.870 0.021 0.000 1.106 560 L CA 0.778 55.626 54.840 0.013 0.000 0.793 560 L CB -0.105 41.931 42.059 -0.037 0.000 0.927 560 L HN -0.095 nan 8.230 nan 0.000 0.446 561 D N -0.221 120.186 120.400 0.012 0.000 2.183 561 D HA -0.074 4.570 4.640 0.007 0.000 0.205 561 D C 2.148 178.460 176.300 0.020 0.000 0.962 561 D CA 0.839 54.848 54.000 0.016 0.000 0.849 561 D CB 0.210 41.018 40.800 0.012 0.000 0.978 561 D HN 0.184 nan 8.370 nan 0.000 0.488 562 L N 0.138 121.374 121.223 0.021 0.000 2.062 562 L HA 0.028 4.372 4.340 0.007 0.000 0.202 562 L C 0.155 177.041 176.870 0.025 0.000 1.079 562 L CA 1.023 55.876 54.840 0.021 0.000 0.755 562 L CB 0.250 42.320 42.059 0.020 0.000 0.913 562 L HN -0.091 nan 8.230 nan 0.000 0.445 563 D N -0.839 119.579 120.400 0.030 0.000 2.506 563 D HA 0.337 4.981 4.640 0.007 0.000 0.254 563 D C -0.599 175.730 176.300 0.048 0.000 1.089 563 D CA -0.447 53.575 54.000 0.036 0.000 1.050 563 D CB 1.066 41.888 40.800 0.036 0.000 1.221 563 D HN -0.057 nan 8.370 nan 0.000 0.589 564 R N 0.149 120.683 120.500 0.058 0.000 2.681 564 R HA 0.351 4.695 4.340 0.007 0.000 0.277 564 R C -2.469 173.893 176.300 0.103 0.000 1.563 564 R CA -1.232 54.916 56.100 0.079 0.000 1.673 564 R CB 0.284 30.625 30.300 0.068 0.000 1.258 564 R HN 0.081 nan 8.270 nan 0.000 0.650 565 P HA 0.003 nan 4.420 nan 0.000 0.264 565 P C 0.215 177.613 177.300 0.163 0.000 1.193 565 P CA 0.112 63.300 63.100 0.147 0.000 0.763 565 P CB 0.932 32.746 31.700 0.191 0.000 0.810 566 E N 2.095 122.321 120.200 0.044 0.000 2.112 566 E HA -0.067 4.287 4.350 0.007 0.000 0.190 566 E C 0.501 176.940 176.600 -0.268 0.000 0.979 566 E CA 0.898 57.265 56.400 -0.054 0.000 0.814 566 E CB 0.162 29.830 29.700 -0.053 0.000 0.762 566 E HN 0.461 nan 8.360 nan 0.000 0.460 567 R N -0.857 119.523 120.500 -0.200 0.000 2.947 567 R HA 0.765 5.109 4.340 0.007 0.000 0.253 567 R C -1.357 174.916 176.300 -0.045 0.000 1.208 567 R CA -0.787 55.121 56.100 -0.319 0.000 1.012 567 R CB 1.984 32.167 30.300 -0.195 0.000 1.267 567 R HN -0.024 nan 8.270 nan 0.000 0.473 568 A N 0.953 123.776 122.820 0.005 0.000 2.540 568 A HA 0.387 4.711 4.320 0.007 0.000 0.315 568 A C -2.119 175.491 177.584 0.044 0.000 1.037 568 A CA -0.579 51.528 52.037 0.116 0.000 0.940 568 A CB 1.140 20.334 19.000 0.323 0.000 1.262 568 A HN 0.393 nan 8.150 nan 0.000 0.377 569 L N 3.919 125.108 121.223 -0.057 0.000 2.401 569 L HA 0.727 5.071 4.340 0.007 0.000 0.263 569 L C -1.097 175.721 176.870 -0.086 0.000 1.004 569 L CA -0.177 54.541 54.840 -0.203 0.000 0.881 569 L CB 0.492 42.247 42.059 -0.506 0.000 1.219 569 L HN 0.648 nan 8.230 nan 0.000 0.441 570 L N 3.891 125.153 121.223 0.066 0.000 2.331 570 L HA 0.733 5.078 4.340 0.007 0.000 0.268 570 L C -0.647 176.483 176.870 0.433 0.000 1.015 570 L CA -0.967 53.988 54.840 0.191 0.000 0.807 570 L CB 1.688 43.805 42.059 0.096 0.000 1.293 570 L HN 0.609 nan 8.230 nan 0.000 0.451 571 F N -0.465 119.587 119.950 0.169 0.000 2.703 571 F HA 0.685 5.216 4.527 0.007 0.000 0.308 571 F C -1.292 174.520 175.800 0.020 0.000 1.126 571 F CA -0.623 57.440 58.000 0.105 0.000 0.959 571 F CB 1.673 40.760 39.000 0.144 0.000 1.297 571 F HN 0.568 nan 8.300 nan 0.000 0.441 572 E N 2.896 123.044 120.200 -0.087 0.000 2.335 572 E HA 0.636 4.991 4.350 0.007 0.000 0.280 572 E C -2.357 174.199 176.600 -0.073 0.000 0.918 572 E CA -0.891 55.359 56.400 -0.250 0.000 0.765 572 E CB 2.705 32.284 29.700 -0.203 0.000 1.218 572 E HN 0.714 nan 8.360 nan 0.000 0.425 573 V N 2.887 122.730 119.914 -0.118 0.000 2.448 573 V HA 0.893 5.017 4.120 0.007 0.000 0.295 573 V C 0.271 176.246 176.094 -0.199 0.000 1.025 573 V CA 0.172 62.425 62.300 -0.078 0.000 0.859 573 V CB 1.356 33.171 31.823 -0.013 0.000 0.988 573 V HN 0.773 nan 8.190 nan 0.000 0.431 574 G N 3.494 112.193 108.800 -0.169 0.000 2.646 574 G HA2 0.606 4.570 3.960 0.007 0.000 0.291 574 G HA3 0.606 4.570 3.960 0.007 0.000 0.291 574 G C -1.597 173.174 174.900 -0.216 0.000 1.445 574 G CA -1.066 43.902 45.100 -0.220 0.000 0.814 574 G HN 0.455 nan 8.290 nan 0.000 0.495 575 R N -0.599 119.745 120.500 -0.260 0.000 2.389 575 R HA 0.615 4.959 4.340 0.007 0.000 0.295 575 R C -0.096 175.797 176.300 -0.679 0.000 1.075 575 R CA -0.207 55.648 56.100 -0.408 0.000 1.005 575 R CB 1.219 31.305 30.300 -0.357 0.000 0.987 575 R HN 0.337 nan 8.270 nan 0.000 0.452 576 V N 4.571 123.985 119.914 -0.833 0.000 2.960 576 V HA 0.602 4.726 4.120 0.007 0.000 0.315 576 V C -1.190 174.260 176.094 -1.073 0.000 1.087 576 V CA -0.680 61.106 62.300 -0.857 0.000 0.982 576 V CB 1.692 33.019 31.823 -0.826 0.000 1.039 576 V HN 0.564 nan 8.190 nan 0.000 0.437 577 F N 3.467 123.328 119.950 -0.147 0.000 2.529 577 F HA 0.856 5.387 4.527 0.007 0.000 0.320 577 F C 0.072 175.836 175.800 -0.060 0.000 1.118 577 F CA -0.857 57.096 58.000 -0.078 0.000 0.915 577 F CB 1.766 40.738 39.000 -0.048 0.000 1.161 577 F HN 0.478 nan 8.300 nan 0.000 0.445 578 R N 1.736 122.302 120.500 0.110 0.000 3.283 578 R HA 0.342 4.687 4.340 0.007 0.000 0.306 578 R C -0.609 175.733 176.300 0.071 0.000 0.914 578 R CA -0.710 55.439 56.100 0.081 0.000 0.987 578 R CB -0.143 30.183 30.300 0.042 0.000 1.407 578 R HN 0.745 nan 8.270 nan 0.000 0.382 579 E N 0.201 120.448 120.200 0.077 0.000 4.512 579 E HA -0.263 4.091 4.350 0.007 0.000 0.162 579 E C -0.429 176.209 176.600 0.064 0.000 1.118 579 E CA 1.751 58.190 56.400 0.065 0.000 2.523 579 E CB -0.575 29.162 29.700 0.061 0.000 1.694 579 E HN 0.741 nan 8.360 nan 0.000 0.524 580 R N 0.679 121.215 120.500 0.059 0.000 2.740 580 R HA 0.389 4.733 4.340 0.007 0.000 0.273 580 R C -1.262 175.057 176.300 0.033 0.000 0.998 580 R CA -0.621 55.510 56.100 0.052 0.000 0.900 580 R CB 2.008 32.330 30.300 0.037 0.000 1.223 580 R HN 0.081 nan 8.270 nan 0.000 0.466 581 E N 2.716 122.934 120.200 0.030 0.000 2.290 581 E HA 0.044 4.398 4.350 0.007 0.000 0.277 581 E C -0.951 175.578 176.600 -0.119 0.000 1.035 581 E CA -0.083 56.272 56.400 -0.075 0.000 0.873 581 E CB 0.741 30.447 29.700 0.009 0.000 1.029 581 E HN 0.517 nan 8.360 nan 0.000 0.419 582 E N 2.433 122.515 120.200 -0.197 0.000 2.367 582 E HA 0.366 4.721 4.350 0.007 0.000 0.273 582 E C -1.147 175.408 176.600 -0.074 0.000 0.903 582 E CA -1.036 55.314 56.400 -0.083 0.000 0.764 582 E CB 1.595 31.309 29.700 0.023 0.000 1.252 582 E HN 0.197 nan 8.360 nan 0.000 0.446 583 T N 1.717 116.255 114.554 -0.026 0.000 2.780 583 T HA 0.291 4.645 4.350 0.007 0.000 0.294 583 T C -1.056 173.681 174.700 0.062 0.000 0.949 583 T CA -0.205 61.880 62.100 -0.026 0.000 1.074 583 T CB 0.170 69.001 68.868 -0.062 0.000 0.910 583 T HN 0.316 nan 8.240 nan 0.000 0.501 584 H N 1.409 120.382 119.070 -0.161 0.000 2.621 584 H HA 0.695 5.255 4.556 0.007 0.000 0.360 584 H C -0.735 174.526 175.328 -0.113 0.000 1.163 584 H CA -0.946 55.020 56.048 -0.137 0.000 1.194 584 H CB 1.357 31.016 29.762 -0.171 0.000 1.649 584 H HN 0.340 nan 8.280 nan 0.000 0.532 585 L N 1.776 122.997 121.223 -0.003 0.000 2.356 585 L HA 0.822 5.166 4.340 0.007 0.000 0.277 585 L C -1.142 175.691 176.870 -0.062 0.000 0.996 585 L CA -0.478 54.363 54.840 0.001 0.000 0.822 585 L CB 0.871 42.941 42.059 0.019 0.000 1.256 585 L HN 0.711 nan 8.230 nan 0.000 0.413 586 A N 3.072 125.803 122.820 -0.148 0.000 2.435 586 A HA 0.967 5.291 4.320 0.007 0.000 0.304 586 A C -0.474 176.765 177.584 -0.576 0.000 1.064 586 A CA -0.014 51.759 52.037 -0.440 0.000 0.727 586 A CB 1.618 20.484 19.000 -0.222 0.000 1.284 586 A HN 1.060 nan 8.150 nan 0.000 0.415 587 G N -0.243 107.759 108.800 -1.330 0.000 2.612 587 G HA2 0.655 4.619 3.960 0.007 0.000 0.298 587 G HA3 0.655 4.619 3.960 0.007 0.000 0.298 587 G C -1.615 173.153 174.900 -0.220 0.000 1.336 587 G CA -0.522 44.223 45.100 -0.592 0.000 0.953 587 G HN 1.290 nan 8.290 nan 0.000 0.482 588 L N 1.227 122.520 121.223 0.116 0.000 2.455 588 L HA 0.802 5.146 4.340 0.007 0.000 0.264 588 L C -1.593 175.383 176.870 0.175 0.000 0.968 588 L CA -0.972 53.961 54.840 0.156 0.000 0.827 588 L CB 2.074 44.203 42.059 0.117 0.000 1.317 588 L HN 0.565 nan 8.230 nan 0.000 0.407 589 L N 4.607 125.961 121.223 0.219 0.000 2.304 589 L HA 0.852 5.197 4.340 0.007 0.000 0.268 589 L C -1.295 175.766 176.870 0.318 0.000 1.010 589 L CA -0.386 54.563 54.840 0.181 0.000 0.813 589 L CB 1.835 43.988 42.059 0.156 0.000 1.315 589 L HN 0.669 nan 8.230 nan 0.000 0.445 590 F N 1.829 121.828 119.950 0.082 0.000 2.767 590 F HA 0.569 5.101 4.527 0.009 0.000 0.317 590 F C -0.423 175.414 175.800 0.062 0.000 1.119 590 F CA 0.335 58.388 58.000 0.088 0.000 0.971 590 F CB 0.244 39.283 39.000 0.066 0.000 1.251 590 F HN 1.102 nan 8.300 nan 0.000 0.450 591 G N 4.270 112.418 108.800 -1.086 0.000 2.483 591 G HA2 -0.035 3.930 3.960 0.007 0.000 0.521 591 G HA3 -0.035 3.930 3.960 0.007 0.000 0.521 591 G C 0.336 175.027 174.900 -0.348 0.000 1.278 591 G CA 0.184 44.688 45.100 -0.993 0.000 0.965 591 G HN 1.379 nan 8.290 nan 0.000 0.504 592 E N -0.418 119.630 120.200 -0.255 0.000 2.017 592 E HA 0.289 4.643 4.350 0.007 0.000 0.193 592 E C 1.461 178.009 176.600 -0.087 0.000 0.997 592 E CA 1.493 57.819 56.400 -0.123 0.000 0.804 592 E CB -0.037 29.602 29.700 -0.101 0.000 0.757 592 E HN 2.469 nan 8.360 nan 0.000 0.448 593 G N -0.233 108.509 108.800 -0.097 0.000 2.298 593 G HA2 -0.003 3.961 3.960 0.007 0.000 0.309 593 G HA3 -0.003 3.961 3.960 0.007 0.000 0.309 593 G C -1.103 173.769 174.900 -0.048 0.000 1.279 593 G CA -0.412 44.654 45.100 -0.055 0.000 1.042 593 G HN 0.266 nan 8.290 nan 0.000 0.480 594 V N 1.145 121.043 119.914 -0.026 0.000 2.481 594 V HA 0.851 4.975 4.120 0.007 0.000 0.286 594 V C 1.121 177.174 176.094 -0.068 0.000 1.042 594 V CA 1.164 63.444 62.300 -0.033 0.000 0.928 594 V CB 0.429 32.248 31.823 -0.008 0.000 0.986 594 V HN 2.391 nan 8.190 nan 0.000 0.462 595 G N 3.378 112.118 108.800 -0.099 0.000 2.399 595 G HA2 0.333 4.297 3.960 0.007 0.000 0.256 595 G HA3 0.333 4.297 3.960 0.007 0.000 0.256 595 G C -1.792 172.971 174.900 -0.229 0.000 1.236 595 G CA -0.979 44.032 45.100 -0.149 0.000 0.914 595 G HN 0.549 nan 8.290 nan 0.000 0.482 596 L N 1.798 122.803 121.223 -0.363 0.000 2.272 596 L HA 0.353 4.697 4.340 0.007 0.000 0.289 596 L C -1.496 175.013 176.870 -0.602 0.000 1.032 596 L CA -1.756 52.693 54.840 -0.652 0.000 0.810 596 L CB 2.376 43.747 42.059 -1.147 0.000 1.205 596 L HN 0.304 nan 8.230 nan 0.000 0.422 597 P HA -0.212 nan 4.420 nan 0.000 0.216 597 P C 1.063 178.289 177.300 -0.123 0.000 1.154 597 P CA 1.676 64.655 63.100 -0.201 0.000 0.865 597 P CB 0.017 31.695 31.700 -0.037 0.000 0.789 598 W N -1.867 119.434 121.300 0.001 0.000 3.139 598 W HA 0.576 5.238 4.660 0.003 0.000 0.260 598 W C 0.628 177.148 176.519 0.002 0.000 1.312 598 W CA 0.060 57.407 57.345 0.002 0.000 1.606 598 W CB -1.125 28.336 29.460 0.002 0.000 1.118 598 W HN -0.133 nan 8.180 nan 0.000 0.675 599 A N 2.495 125.155 122.820 -0.268 0.000 2.951 599 A HA 0.506 4.830 4.320 0.007 0.000 0.239 599 A C 1.482 179.003 177.584 -0.106 0.000 1.623 599 A CA 0.131 52.067 52.037 -0.169 0.000 0.868 599 A CB 0.747 19.507 19.000 -0.400 0.000 1.712 599 A HN 0.022 nan 8.150 nan 0.000 0.558 600 K N -1.157 119.189 120.400 -0.090 0.000 2.585 600 K HA 0.193 4.517 4.320 0.007 0.000 0.198 600 K C -0.352 176.209 176.600 -0.064 0.000 1.403 600 K CA 0.151 56.404 56.287 -0.057 0.000 1.021 600 K CB -0.845 31.644 32.500 -0.017 0.000 1.558 600 K HN 0.450 nan 8.250 nan 0.000 0.524 601 E N 2.259 122.420 120.200 -0.064 0.000 2.502 601 E HA 0.106 4.460 4.350 0.007 0.000 0.261 601 E C -0.483 176.073 176.600 -0.072 0.000 0.974 601 E CA 0.761 57.127 56.400 -0.056 0.000 0.936 601 E CB 0.438 30.106 29.700 -0.054 0.000 0.926 601 E HN 0.126 nan 8.360 nan 0.000 0.459 602 R N 1.650 122.120 120.500 -0.051 0.000 2.764 602 R HA 0.515 4.859 4.340 0.007 0.000 0.270 602 R C -1.036 175.247 176.300 -0.029 0.000 1.014 602 R CA -0.895 55.174 56.100 -0.051 0.000 0.904 602 R CB 1.381 31.651 30.300 -0.050 0.000 1.236 602 R HN 0.355 nan 8.270 nan 0.000 0.466 603 L N 1.855 123.062 121.223 -0.027 0.000 2.305 603 L HA 0.581 4.926 4.340 0.007 0.000 0.284 603 L C -0.285 176.590 176.870 0.009 0.000 1.013 603 L CA -0.215 54.622 54.840 -0.006 0.000 0.819 603 L CB 1.671 43.718 42.059 -0.020 0.000 1.227 603 L HN 0.877 nan 8.230 nan 0.000 0.417 604 S N 1.504 117.221 115.700 0.028 0.000 2.724 604 S HA 0.891 5.365 4.470 0.007 0.000 0.278 604 S C -0.111 174.493 174.600 0.005 0.000 1.190 604 S CA -0.198 58.016 58.200 0.022 0.000 0.860 604 S CB 1.177 64.385 63.200 0.014 0.000 1.206 604 S HN 1.198 nan 8.310 nan 0.000 0.507 605 G N 0.657 109.435 108.800 -0.037 0.000 2.645 605 G HA2 -0.254 3.710 3.960 0.007 0.000 0.246 605 G HA3 -0.254 3.710 3.960 0.007 0.000 0.246 605 G C 0.229 174.725 174.900 -0.673 0.000 1.322 605 G CA 0.809 45.716 45.100 -0.320 0.000 0.898 605 G HN 1.827 nan 8.290 nan 0.000 0.573 606 Y N 0.183 119.777 120.300 -1.177 0.000 1.997 606 Y HA -0.220 4.333 4.550 0.006 0.000 0.265 606 Y C 2.772 178.424 175.900 -0.413 0.000 1.193 606 Y CA 3.485 61.141 58.100 -0.740 0.000 1.106 606 Y CB -0.626 37.421 38.460 -0.690 0.000 0.940 606 Y HN 0.428 nan 8.280 nan 0.000 0.494 607 F N -0.806 119.120 119.950 -0.040 0.000 2.494 607 F HA -0.142 4.390 4.527 0.007 0.000 0.298 607 F C 2.006 177.745 175.800 -0.103 0.000 1.106 607 F CA 0.934 58.892 58.000 -0.071 0.000 1.452 607 F CB -0.836 38.193 39.000 0.048 0.000 1.085 607 F HN 0.213 nan 8.300 nan 0.000 0.569 608 L N -0.481 120.761 121.223 0.032 0.000 2.049 608 L HA -0.069 4.275 4.340 0.007 0.000 0.203 608 L C 2.164 179.090 176.870 0.095 0.000 1.074 608 L CA 1.519 56.395 54.840 0.060 0.000 0.749 608 L CB -0.839 41.255 42.059 0.058 0.000 0.907 608 L HN 0.123 nan 8.230 nan 0.000 0.439 609 L N -0.248 120.971 121.223 -0.006 0.000 1.961 609 L HA -0.276 4.069 4.340 0.007 0.000 0.210 609 L C 2.674 179.533 176.870 -0.018 0.000 1.072 609 L CA 2.026 56.885 54.840 0.033 0.000 0.749 609 L CB -0.430 41.632 42.059 0.005 0.000 0.889 609 L HN 0.354 nan 8.230 nan 0.000 0.432 610 K N -0.070 120.203 120.400 -0.211 0.000 2.189 610 K HA -0.210 4.115 4.320 0.007 0.000 0.207 610 K C 1.675 178.310 176.600 0.058 0.000 1.046 610 K CA 1.854 58.070 56.287 -0.118 0.000 0.928 610 K CB -0.572 31.738 32.500 -0.317 0.000 0.720 610 K HN 0.442 nan 8.250 nan 0.000 0.458 611 G N -1.166 107.661 108.800 0.045 0.000 2.395 611 G HA2 -0.201 3.763 3.960 0.007 0.000 0.214 611 G HA3 -0.201 3.763 3.960 0.007 0.000 0.214 611 G C 1.207 176.098 174.900 -0.015 0.000 1.177 611 G CA 0.610 45.722 45.100 0.019 0.000 0.794 611 G HN 0.326 nan 8.290 nan 0.000 0.532 612 Y N 0.768 121.050 120.300 -0.029 0.000 2.165 612 Y HA 0.003 4.557 4.550 0.007 0.000 0.286 612 Y C 2.786 178.652 175.900 -0.057 0.000 1.155 612 Y CA 1.034 59.134 58.100 0.001 0.000 1.164 612 Y CB -0.181 38.302 38.460 0.039 0.000 0.978 612 Y HN 0.050 nan 8.280 nan 0.000 0.513 613 L N -0.546 120.675 121.223 -0.003 0.000 2.131 613 L HA -0.223 4.121 4.340 0.007 0.000 0.210 613 L C 2.172 178.784 176.870 -0.430 0.000 1.092 613 L CA 1.378 56.001 54.840 -0.361 0.000 0.759 613 L CB -0.424 41.277 42.059 -0.596 0.000 0.903 613 L HN 0.289 nan 8.230 nan 0.000 0.435 614 E N -0.041 120.045 120.200 -0.189 0.000 2.106 614 E HA -0.199 4.155 4.350 0.007 0.000 0.192 614 E C 2.293 178.885 176.600 -0.014 0.000 0.984 614 E CA 1.090 57.485 56.400 -0.009 0.000 0.806 614 E CB -0.076 29.703 29.700 0.132 0.000 0.750 614 E HN 0.493 nan 8.360 nan 0.000 0.458 615 A N 1.189 123.980 122.820 -0.050 0.000 1.877 615 A HA -0.180 4.145 4.320 0.007 0.000 0.216 615 A C 2.129 179.653 177.584 -0.100 0.000 1.186 615 A CA 1.068 53.073 52.037 -0.053 0.000 0.620 615 A CB -0.668 18.300 19.000 -0.054 0.000 0.822 615 A HN 0.243 nan 8.150 nan 0.000 0.443 616 L N -0.909 120.198 121.223 -0.193 0.000 1.951 616 L HA -0.196 4.148 4.340 0.007 0.000 0.222 616 L C 2.224 178.845 176.870 -0.415 0.000 1.078 616 L CA 2.398 57.005 54.840 -0.388 0.000 0.778 616 L CB -1.114 40.542 42.059 -0.672 0.000 0.893 616 L HN 0.366 nan 8.230 nan 0.000 0.436 617 F N -0.110 119.689 119.950 -0.252 0.000 2.269 617 F HA -0.131 4.400 4.527 0.006 0.000 0.301 617 F C 2.445 178.199 175.800 -0.077 0.000 1.082 617 F CA 1.136 59.042 58.000 -0.157 0.000 1.360 617 F CB -1.194 37.718 39.000 -0.147 0.000 1.041 617 F HN 0.261 nan 8.300 nan 0.000 0.512 618 A N -0.143 122.720 122.820 0.072 0.000 1.902 618 A HA -0.178 4.146 4.320 0.007 0.000 0.217 618 A C 2.403 179.992 177.584 0.008 0.000 1.181 618 A CA 1.326 53.394 52.037 0.051 0.000 0.623 618 A CB -0.495 18.523 19.000 0.030 0.000 0.818 618 A HN 0.133 nan 8.150 nan 0.000 0.443 619 R N 0.063 120.538 120.500 -0.043 0.000 2.092 619 R HA 0.029 4.373 4.340 0.007 0.000 0.231 619 R C 1.689 177.953 176.300 -0.061 0.000 1.119 619 R CA 1.265 57.329 56.100 -0.060 0.000 0.970 619 R CB -0.799 29.442 30.300 -0.098 0.000 0.864 619 R HN 0.589 nan 8.270 nan 0.000 0.440 620 L N -0.219 120.953 121.223 -0.085 0.000 2.610 620 L HA 0.146 4.490 4.340 0.007 0.000 0.232 620 L C 0.944 177.820 176.870 0.010 0.000 1.149 620 L CA 0.530 55.331 54.840 -0.065 0.000 0.872 620 L CB -0.346 41.638 42.059 -0.125 0.000 0.992 620 L HN 0.335 nan 8.230 nan 0.000 0.447 621 G N 1.412 110.232 108.800 0.033 0.000 2.338 621 G HA2 -0.273 3.691 3.960 0.007 0.000 0.296 621 G HA3 -0.273 3.691 3.960 0.007 0.000 0.296 621 G C -0.271 174.677 174.900 0.080 0.000 1.040 621 G CA 0.137 45.268 45.100 0.052 0.000 1.004 621 G HN 0.289 nan 8.290 nan 0.000 0.509 622 L N -0.744 120.561 121.223 0.137 0.000 2.422 622 L HA 0.778 5.122 4.340 0.007 0.000 0.264 622 L C 0.671 177.634 176.870 0.155 0.000 0.984 622 L CA -0.978 53.959 54.840 0.162 0.000 0.819 622 L CB 2.152 44.370 42.059 0.265 0.000 1.330 622 L HN 0.332 nan 8.230 nan 0.000 0.410 623 A N 2.089 124.953 122.820 0.073 0.000 2.492 623 A HA 0.404 4.728 4.320 0.007 0.000 0.254 623 A C -1.007 176.566 177.584 -0.019 0.000 1.091 623 A CA 0.293 52.351 52.037 0.036 0.000 0.768 623 A CB -0.143 18.856 19.000 -0.001 0.000 1.028 623 A HN 0.462 nan 8.150 nan 0.000 0.498 624 F N 2.907 122.744 119.950 -0.188 0.000 2.495 624 F HA 0.748 5.279 4.527 0.006 0.000 0.327 624 F C 0.005 175.709 175.800 -0.160 0.000 1.103 624 F CA -0.901 56.892 58.000 -0.345 0.000 0.949 624 F CB 1.579 40.382 39.000 -0.329 0.000 1.142 624 F HN 0.678 nan 8.300 nan 0.000 0.457 625 R N 4.377 124.347 120.500 -0.882 0.000 2.604 625 R HA 0.669 5.013 4.340 0.007 0.000 0.270 625 R C -2.401 173.492 176.300 -0.678 0.000 1.052 625 R CA -0.675 55.054 56.100 -0.617 0.000 0.902 625 R CB 2.073 32.210 30.300 -0.270 0.000 1.233 625 R HN 0.534 nan 8.270 nan 0.000 0.455 626 V N 4.035 123.693 119.914 -0.425 0.000 2.305 626 V HA 0.299 4.423 4.120 0.007 0.000 0.275 626 V C -0.583 175.502 176.094 -0.015 0.000 1.020 626 V CA -0.666 61.516 62.300 -0.197 0.000 0.811 626 V CB 1.309 33.088 31.823 -0.074 0.000 1.031 626 V HN 0.740 nan 8.190 nan 0.000 0.439 627 E N 3.002 123.203 120.200 0.003 0.000 2.249 627 E HA 0.668 5.022 4.350 0.007 0.000 0.280 627 E C 0.181 176.824 176.600 0.072 0.000 1.016 627 E CA -0.590 55.830 56.400 0.034 0.000 0.830 627 E CB 1.958 31.667 29.700 0.015 0.000 1.081 627 E HN 0.733 nan 8.360 nan 0.000 0.395 628 A N 3.472 126.325 122.820 0.056 0.000 2.511 628 A HA 0.097 4.421 4.320 0.007 0.000 0.242 628 A C 0.002 177.603 177.584 0.029 0.000 1.069 628 A CA 0.451 52.518 52.037 0.049 0.000 0.763 628 A CB 0.363 19.373 19.000 0.017 0.000 1.001 628 A HN 0.656 nan 8.150 nan 0.000 0.498 629 Q N 0.843 120.659 119.800 0.026 0.000 2.545 629 Q HA 0.539 4.883 4.340 0.007 0.000 0.273 629 Q C -1.030 174.839 176.000 -0.218 0.000 0.975 629 Q CA -0.451 55.289 55.803 -0.104 0.000 0.876 629 Q CB 1.644 30.312 28.738 -0.116 0.000 1.472 629 Q HN 1.288 nan 8.270 nan 0.000 0.389 630 A N 2.219 124.829 122.820 -0.350 0.000 2.340 630 A HA 0.745 5.069 4.320 0.007 0.000 0.268 630 A C -1.297 175.843 177.584 -0.740 0.000 1.100 630 A CA 0.087 51.908 52.037 -0.358 0.000 0.803 630 A CB 0.178 19.039 19.000 -0.232 0.000 1.043 630 A HN 0.480 nan 8.150 nan 0.000 0.488 631 F N 1.763 121.533 119.950 -0.300 0.000 2.653 631 F HA 0.387 4.918 4.527 0.006 0.000 0.327 631 F C -1.906 173.430 175.800 -0.773 0.000 1.195 631 F CA -1.425 56.182 58.000 -0.655 0.000 0.993 631 F CB 2.163 40.581 39.000 -0.970 0.000 1.259 631 F HN 0.399 nan 8.300 nan 0.000 0.478 632 P HA -0.289 nan 4.420 nan 0.000 0.222 632 P C 1.298 178.464 177.300 -0.223 0.000 1.157 632 P CA 2.051 64.987 63.100 -0.272 0.000 0.905 632 P CB -0.138 31.482 31.700 -0.133 0.000 0.792 633 F N -3.200 116.775 119.950 0.043 0.000 2.811 633 F HA 0.283 4.813 4.527 0.006 0.000 0.301 633 F C 0.664 176.441 175.800 -0.038 0.000 1.151 633 F CA -0.407 57.606 58.000 0.022 0.000 1.412 633 F CB -1.202 37.858 39.000 0.099 0.000 1.113 633 F HN -0.188 nan 8.300 nan 0.000 0.579 634 L N 0.051 121.225 121.223 -0.082 0.000 2.304 634 L HA 0.354 4.698 4.340 0.007 0.000 0.268 634 L C 0.100 177.044 176.870 0.123 0.000 1.010 634 L CA -1.335 53.537 54.840 0.052 0.000 0.813 634 L CB 0.881 42.937 42.059 -0.006 0.000 1.315 634 L HN 0.000 nan 8.230 nan 0.000 0.445 635 H N 1.965 121.028 119.070 -0.011 0.000 2.722 635 H HA 0.122 4.683 4.556 0.008 0.000 0.328 635 H C -2.117 173.153 175.328 -0.097 0.000 1.067 635 H CA -1.734 54.233 56.048 -0.136 0.000 1.447 635 H CB 1.759 31.452 29.762 -0.115 0.000 1.469 635 H HN 0.238 nan 8.280 nan 0.000 0.544 636 P HA -0.078 nan 4.420 nan 0.000 0.219 636 P C 1.232 178.630 177.300 0.162 0.000 1.146 636 P CA 1.741 64.875 63.100 0.057 0.000 0.808 636 P CB 0.172 31.836 31.700 -0.060 0.000 0.779 637 G N -1.187 107.880 108.800 0.444 0.000 2.492 637 G HA2 -0.020 3.944 3.960 0.007 0.000 0.214 637 G HA3 -0.020 3.944 3.960 0.007 0.000 0.214 637 G C 0.384 175.201 174.900 -0.138 0.000 1.147 637 G CA 0.197 45.351 45.100 0.090 0.000 0.809 637 G HN 0.176 nan 8.290 nan 0.000 0.533 638 V N 1.479 121.264 119.914 -0.216 0.000 2.205 638 V HA 0.583 4.707 4.120 0.007 0.000 0.263 638 V C -0.184 175.887 176.094 -0.038 0.000 1.138 638 V CA -0.489 61.654 62.300 -0.262 0.000 1.059 638 V CB 0.294 31.951 31.823 -0.276 0.000 1.232 638 V HN 0.201 nan 8.190 nan 0.000 0.469 639 S N 1.950 117.643 115.700 -0.011 0.000 2.543 639 S HA 0.897 5.371 4.470 0.007 0.000 0.271 639 S C -0.393 174.305 174.600 0.165 0.000 1.148 639 S CA 0.227 58.508 58.200 0.136 0.000 0.914 639 S CB 1.924 65.207 63.200 0.138 0.000 1.096 639 S HN 0.957 nan 8.310 nan 0.000 0.471 640 G N 2.926 111.919 108.800 0.321 0.000 2.601 640 G HA2 0.572 4.536 3.960 0.007 0.000 0.291 640 G HA3 0.572 4.536 3.960 0.007 0.000 0.291 640 G C -1.417 173.778 174.900 0.491 0.000 1.456 640 G CA -0.955 44.337 45.100 0.320 0.000 0.804 640 G HN 0.905 nan 8.290 nan 0.000 0.499 641 R N -0.984 119.777 120.500 0.436 0.000 2.553 641 R HA 0.813 5.157 4.340 0.007 0.000 0.263 641 R C -0.930 175.504 176.300 0.223 0.000 1.066 641 R CA -0.758 55.614 56.100 0.453 0.000 1.135 641 R CB 1.438 31.991 30.300 0.422 0.000 1.148 641 R HN 0.254 nan 8.270 nan 0.000 0.558 642 V N 1.847 121.866 119.914 0.175 0.000 2.459 642 V HA 0.320 4.444 4.120 0.007 0.000 0.295 642 V C -0.468 175.614 176.094 -0.020 0.000 1.029 642 V CA -0.909 61.417 62.300 0.044 0.000 0.874 642 V CB 1.656 33.559 31.823 0.135 0.000 0.985 642 V HN 0.509 nan 8.190 nan 0.000 0.438 643 L N 5.606 126.739 121.223 -0.151 0.000 2.384 643 L HA 0.433 4.777 4.340 0.007 0.000 0.261 643 L C -0.326 176.437 176.870 -0.178 0.000 1.024 643 L CA -0.228 54.536 54.840 -0.125 0.000 0.899 643 L CB 1.392 43.383 42.059 -0.114 0.000 1.243 643 L HN 0.385 nan 8.230 nan 0.000 0.449 644 V N 3.685 123.510 119.914 -0.147 0.000 2.408 644 V HA 0.215 4.339 4.120 0.007 0.000 0.267 644 V C 0.844 176.891 176.094 -0.079 0.000 1.047 644 V CA -0.390 61.797 62.300 -0.187 0.000 0.937 644 V CB 0.673 32.399 31.823 -0.162 0.000 0.999 644 V HN 0.728 nan 8.190 nan 0.000 0.472 645 E N 4.226 124.388 120.200 -0.064 0.000 2.360 645 E HA -0.305 4.049 4.350 0.007 0.000 0.238 645 E C 1.252 177.835 176.600 -0.027 0.000 1.186 645 E CA 1.055 57.440 56.400 -0.025 0.000 0.719 645 E CB -1.345 28.358 29.700 0.004 0.000 1.236 645 E HN 1.422 nan 8.360 nan 0.000 0.386 646 G N 0.069 108.842 108.800 -0.044 0.000 3.206 646 G HA2 -0.386 3.578 3.960 0.007 0.000 0.217 646 G HA3 -0.386 3.578 3.960 0.007 0.000 0.217 646 G C 0.166 175.051 174.900 -0.026 0.000 1.350 646 G CA 0.480 45.559 45.100 -0.034 0.000 0.836 646 G HN 0.534 nan 8.290 nan 0.000 0.548 647 E N 1.972 122.163 120.200 -0.015 0.000 2.383 647 E HA 0.482 4.837 4.350 0.007 0.000 0.264 647 E C -0.047 176.554 176.600 0.002 0.000 1.050 647 E CA -0.186 56.214 56.400 -0.001 0.000 0.896 647 E CB 1.140 30.844 29.700 0.007 0.000 0.982 647 E HN 0.513 nan 8.360 nan 0.000 0.424 648 E N 2.012 122.227 120.200 0.026 0.000 2.223 648 E HA 0.064 4.418 4.350 0.007 0.000 0.282 648 E C 0.399 177.032 176.600 0.055 0.000 1.046 648 E CA -0.300 56.131 56.400 0.052 0.000 0.857 648 E CB 1.155 30.911 29.700 0.093 0.000 1.055 648 E HN 0.569 nan 8.360 nan 0.000 0.409 649 V N 1.093 121.036 119.914 0.048 0.000 3.604 649 V HA 0.565 4.689 4.120 0.007 0.000 0.277 649 V C 0.515 176.617 176.094 0.014 0.000 1.399 649 V CA 0.742 63.057 62.300 0.025 0.000 1.034 649 V CB 0.351 32.185 31.823 0.019 0.000 0.824 649 V HN 0.682 nan 8.190 nan 0.000 0.439 650 G N 0.883 109.723 108.800 0.066 0.000 2.435 650 G HA2 0.479 4.444 3.960 0.007 0.000 0.228 650 G HA3 0.479 4.444 3.960 0.007 0.000 0.228 650 G C -1.373 173.598 174.900 0.120 0.000 1.198 650 G CA -0.055 45.061 45.100 0.026 0.000 0.948 650 G HN 0.914 nan 8.290 nan 0.000 0.487 651 F N -1.270 118.710 119.950 0.049 0.000 2.664 651 F HA 0.953 5.484 4.527 0.006 0.000 0.317 651 F C -1.475 174.422 175.800 0.162 0.000 1.108 651 F CA -1.798 56.182 58.000 -0.033 0.000 0.957 651 F CB 1.923 40.538 39.000 -0.643 0.000 1.365 651 F HN 0.859 nan 8.300 nan 0.000 0.475 652 L N 1.061 122.655 121.223 0.619 0.000 2.513 652 L HA 0.953 5.297 4.340 0.007 0.000 0.261 652 L C -0.611 176.596 176.870 0.561 0.000 0.945 652 L CA 0.223 55.407 54.840 0.575 0.000 0.848 652 L CB 1.798 44.102 42.059 0.408 0.000 1.334 652 L HN 1.475 nan 8.230 nan 0.000 0.407 653 G N 2.236 111.358 108.800 0.538 0.000 2.317 653 G HA2 0.636 4.600 3.960 0.007 0.000 0.293 653 G HA3 0.636 4.600 3.960 0.007 0.000 0.293 653 G C -1.876 173.277 174.900 0.423 0.000 1.287 653 G CA -0.199 45.189 45.100 0.479 0.000 0.850 653 G HN 1.044 nan 8.290 nan 0.000 0.515 654 A N -0.505 122.500 122.820 0.308 0.000 2.309 654 A HA 0.696 5.020 4.320 0.007 0.000 0.298 654 A C 0.075 177.718 177.584 0.098 0.000 1.165 654 A CA -0.444 51.663 52.037 0.116 0.000 0.821 654 A CB 1.145 20.123 19.000 -0.037 0.000 1.102 654 A HN 1.905 nan 8.150 nan 0.000 0.500 655 L N 3.280 124.529 121.223 0.044 0.000 2.559 655 L HA 0.039 4.383 4.340 0.007 0.000 0.274 655 L C 0.849 177.800 176.870 0.134 0.000 1.205 655 L CA 0.361 55.254 54.840 0.089 0.000 0.907 655 L CB -0.243 41.867 42.059 0.086 0.000 1.153 655 L HN 0.787 nan 8.230 nan 0.000 0.490 656 H N 7.346 126.449 119.070 0.055 0.000 3.140 656 H HA -0.018 4.543 4.556 0.008 0.000 0.316 656 H C -1.885 173.433 175.328 -0.017 0.000 0.986 656 H CA -0.908 55.141 56.048 0.001 0.000 1.397 656 H CB 0.821 30.567 29.762 -0.027 0.000 1.377 656 H HN 0.569 nan 8.280 nan 0.000 0.585 657 P HA -0.190 nan 4.420 nan 0.000 0.215 657 P C 1.254 178.650 177.300 0.161 0.000 1.163 657 P CA 1.950 65.067 63.100 0.029 0.000 0.894 657 P CB 0.228 31.841 31.700 -0.144 0.000 0.791 658 E N -1.046 119.368 120.200 0.355 0.000 2.097 658 E HA -0.203 4.152 4.350 0.007 0.000 0.196 658 E C 1.894 178.512 176.600 0.029 0.000 1.000 658 E CA 1.152 57.637 56.400 0.142 0.000 0.804 658 E CB -0.632 29.102 29.700 0.057 0.000 0.740 658 E HN 0.223 nan 8.360 nan 0.000 0.454 659 I N 1.174 121.764 120.570 0.032 0.000 2.202 659 I HA -0.247 3.927 4.170 0.007 0.000 0.242 659 I C 2.436 178.529 176.117 -0.040 0.000 1.091 659 I CA 1.269 62.526 61.300 -0.071 0.000 1.368 659 I CB -0.541 37.430 38.000 -0.047 0.000 1.058 659 I HN 0.028 nan 8.210 nan 0.000 0.410 660 A N -0.326 122.514 122.820 0.033 0.000 1.917 660 A HA -0.302 4.022 4.320 0.007 0.000 0.219 660 A C 2.242 179.829 177.584 0.005 0.000 1.182 660 A CA 1.895 53.948 52.037 0.027 0.000 0.633 660 A CB -0.611 18.417 19.000 0.046 0.000 0.819 660 A HN 0.391 nan 8.150 nan 0.000 0.448 661 Q N -0.719 119.086 119.800 0.007 0.000 2.049 661 Q HA -0.095 4.250 4.340 0.007 0.000 0.198 661 Q C 2.008 177.994 176.000 -0.023 0.000 0.971 661 Q CA 1.657 57.459 55.803 -0.002 0.000 0.833 661 Q CB -0.437 28.305 28.738 0.006 0.000 0.896 661 Q HN 0.834 nan 8.270 nan 0.000 0.434 662 E N -0.128 120.044 120.200 -0.047 0.000 2.209 662 E HA -0.150 4.205 4.350 0.007 0.000 0.196 662 E C 1.132 177.690 176.600 -0.068 0.000 0.993 662 E CA 0.707 57.067 56.400 -0.067 0.000 0.819 662 E CB 0.051 29.687 29.700 -0.107 0.000 0.745 662 E HN 0.311 nan 8.360 nan 0.000 0.477 663 L N 0.341 121.521 121.223 -0.071 0.000 2.607 663 L HA 0.120 4.464 4.340 0.007 0.000 0.228 663 L C -0.154 176.703 176.870 -0.022 0.000 1.123 663 L CA 0.089 54.899 54.840 -0.050 0.000 0.890 663 L CB -0.015 42.013 42.059 -0.052 0.000 1.103 663 L HN 0.037 nan 8.230 nan 0.000 0.468 664 E N 1.045 121.234 120.200 -0.018 0.000 2.252 664 E HA -0.189 4.165 4.350 0.007 0.000 0.199 664 E C -0.768 175.827 176.600 -0.007 0.000 1.352 664 E CA 0.188 56.584 56.400 -0.006 0.000 0.682 664 E CB -1.632 28.066 29.700 -0.004 0.000 1.142 664 E HN 0.389 nan 8.360 nan 0.000 0.367 665 L N -0.209 121.011 121.223 -0.005 0.000 2.388 665 L HA 0.589 4.934 4.340 0.007 0.000 0.264 665 L C -2.155 174.727 176.870 0.019 0.000 0.998 665 L CA -2.384 52.446 54.840 -0.017 0.000 0.817 665 L CB 1.672 43.708 42.059 -0.038 0.000 1.338 665 L HN -0.097 nan 8.230 nan 0.000 0.414 666 P HA 0.168 nan 4.420 nan 0.000 0.282 666 P C -2.624 174.737 177.300 0.102 0.000 1.286 666 P CA -0.977 62.194 63.100 0.118 0.000 0.777 666 P CB -0.321 31.533 31.700 0.256 0.000 1.184 667 P HA 0.043 nan 4.420 nan 0.000 0.271 667 P C -1.001 176.317 177.300 0.030 0.000 1.226 667 P CA 0.488 63.601 63.100 0.022 0.000 0.765 667 P CB 0.331 32.029 31.700 -0.002 0.000 0.835 668 V N 5.114 125.005 119.914 -0.038 0.000 2.448 668 V HA 0.279 4.403 4.120 0.007 0.000 0.295 668 V C 0.390 176.443 176.094 -0.067 0.000 1.025 668 V CA -0.611 61.711 62.300 0.037 0.000 0.859 668 V CB 1.199 33.063 31.823 0.069 0.000 0.988 668 V HN 0.608 nan 8.190 nan 0.000 0.431 669 H N 5.274 124.459 119.070 0.192 0.000 2.479 669 H HA 0.840 5.400 4.556 0.006 0.000 0.335 669 H C -0.528 174.928 175.328 0.213 0.000 1.142 669 H CA -0.328 55.837 56.048 0.195 0.000 1.234 669 H CB 2.198 32.068 29.762 0.179 0.000 1.503 669 H HN 0.572 nan 8.280 nan 0.000 0.510 670 L N -0.263 121.187 121.223 0.377 0.000 3.041 670 L HA 0.615 4.959 4.340 0.007 0.000 0.278 670 L C -1.344 175.807 176.870 0.468 0.000 1.051 670 L CA -1.219 53.827 54.840 0.342 0.000 0.957 670 L CB 1.034 43.199 42.059 0.177 0.000 1.538 670 L HN 0.466 nan 8.230 nan 0.000 0.393 671 F N -2.254 117.800 119.950 0.172 0.000 2.713 671 F HA 0.910 5.441 4.527 0.007 0.000 0.311 671 F C -1.072 174.531 175.800 -0.329 0.000 1.141 671 F CA -0.653 57.314 58.000 -0.054 0.000 0.939 671 F CB 1.913 40.930 39.000 0.029 0.000 1.325 671 F HN 0.819 nan 8.300 nan 0.000 0.453 672 E N 2.464 122.212 120.200 -0.754 0.000 2.307 672 E HA 0.632 4.987 4.350 0.007 0.000 0.280 672 E C -2.118 174.263 176.600 -0.364 0.000 0.900 672 E CA -0.547 55.514 56.400 -0.566 0.000 0.790 672 E CB 1.898 31.276 29.700 -0.537 0.000 1.261 672 E HN 0.817 nan 8.360 nan 0.000 0.405 673 L N 2.528 123.669 121.223 -0.136 0.000 2.279 673 L HA 0.665 5.009 4.340 0.007 0.000 0.262 673 L C -0.116 176.549 176.870 -0.342 0.000 1.019 673 L CA -1.261 53.499 54.840 -0.133 0.000 0.823 673 L CB 1.895 43.987 42.059 0.055 0.000 1.358 673 L HN 0.441 nan 8.230 nan 0.000 0.432 674 R N 1.068 121.378 120.500 -0.317 0.000 2.338 674 R HA 0.668 5.012 4.340 0.007 0.000 0.317 674 R C -1.421 174.776 176.300 -0.171 0.000 0.968 674 R CA -0.471 55.389 56.100 -0.400 0.000 0.849 674 R CB 0.964 31.070 30.300 -0.323 0.000 1.128 674 R HN 0.542 nan 8.270 nan 0.000 0.448 675 L N 5.227 126.365 121.223 -0.142 0.000 2.375 675 L HA 0.604 4.948 4.340 0.007 0.000 0.268 675 L C -1.758 175.079 176.870 -0.056 0.000 1.058 675 L CA -2.335 52.460 54.840 -0.074 0.000 0.803 675 L CB 1.545 43.563 42.059 -0.068 0.000 1.212 675 L HN 0.608 nan 8.230 nan 0.000 0.451 676 P HA 0.250 nan 4.420 nan 0.000 0.282 676 P C -0.711 176.583 177.300 -0.010 0.000 1.249 676 P CA -0.489 62.594 63.100 -0.028 0.000 0.806 676 P CB 1.081 32.769 31.700 -0.019 0.000 0.984 677 L N 3.290 124.515 121.223 0.003 0.000 2.473 677 L HA 0.204 4.548 4.340 0.007 0.000 0.268 677 L C -1.748 175.147 176.870 0.041 0.000 1.215 677 L CA -1.699 53.170 54.840 0.048 0.000 0.823 677 L CB -0.557 41.557 42.059 0.091 0.000 1.099 677 L HN 0.263 nan 8.230 nan 0.000 0.483 678 P HA 0.012 nan 4.420 nan 0.000 0.271 678 P C -1.307 176.017 177.300 0.041 0.000 1.233 678 P CA -0.044 63.080 63.100 0.040 0.000 0.789 678 P CB 0.449 32.173 31.700 0.040 0.000 0.951 679 D N 1.240 121.657 120.400 0.030 0.000 2.381 679 D HA 0.156 4.800 4.640 0.007 0.000 0.235 679 D C -0.316 176.001 176.300 0.028 0.000 1.068 679 D CA -0.206 53.810 54.000 0.027 0.000 0.832 679 D CB 1.211 42.023 40.800 0.019 0.000 1.101 679 D HN 0.187 nan 8.370 nan 0.000 0.515 680 K N 3.886 124.305 120.400 0.033 0.000 2.281 680 K HA 0.305 4.630 4.320 0.007 0.000 0.272 680 K C -2.208 174.409 176.600 0.029 0.000 1.048 680 K CA -1.441 54.864 56.287 0.031 0.000 0.898 680 K CB 1.067 33.589 32.500 0.037 0.000 1.128 680 K HN 0.213 nan 8.250 nan 0.000 0.460 681 P HA -0.002 nan 4.420 nan 0.000 0.271 681 P C -0.456 176.864 177.300 0.035 0.000 1.216 681 P CA -0.648 62.469 63.100 0.028 0.000 0.776 681 P CB 0.647 32.362 31.700 0.024 0.000 0.881 682 L N 2.220 123.468 121.223 0.041 0.000 2.461 682 L HA 0.377 4.721 4.340 0.007 0.000 0.272 682 L C 0.039 176.950 176.870 0.070 0.000 1.197 682 L CA 0.284 55.160 54.840 0.060 0.000 0.836 682 L CB 0.007 42.107 42.059 0.068 0.000 1.105 682 L HN 0.598 nan 8.230 nan 0.000 0.477 683 A N 5.273 128.144 122.820 0.085 0.000 3.156 683 A HA 0.277 4.601 4.320 0.007 0.000 0.311 683 A C -0.581 177.070 177.584 0.112 0.000 1.129 683 A CA -0.559 51.528 52.037 0.084 0.000 0.809 683 A CB -0.538 18.486 19.000 0.040 0.000 1.257 683 A HN 0.591 nan 8.150 nan 0.000 0.491 684 F N 1.689 121.642 119.950 0.005 0.000 2.604 684 F HA 0.044 4.575 4.527 0.007 0.000 0.390 684 F C 0.411 176.215 175.800 0.007 0.000 1.053 684 F CA 1.205 59.209 58.000 0.006 0.000 1.256 684 F CB 0.671 39.675 39.000 0.007 0.000 0.996 684 F HN 0.522 nan 8.300 nan 0.000 0.564 685 Q N 5.583 124.967 119.800 -0.693 0.000 2.560 685 Q HA 0.077 4.421 4.340 0.007 0.000 0.238 685 Q C -0.608 174.907 176.000 -0.808 0.000 1.079 685 Q CA -0.477 54.999 55.803 -0.544 0.000 0.866 685 Q CB 0.549 29.116 28.738 -0.285 0.000 1.153 685 Q HN 0.603 nan 8.270 nan 0.000 0.530 686 D N 3.585 123.520 120.400 -0.775 0.000 2.570 686 D HA -0.008 4.636 4.640 0.007 0.000 0.243 686 D C -1.904 174.251 176.300 -0.242 0.000 1.171 686 D CA -0.396 53.317 54.000 -0.477 0.000 0.879 686 D CB 0.800 41.540 40.800 -0.101 0.000 1.143 686 D HN 0.163 nan 8.370 nan 0.000 0.511 687 P HA 0.020 nan 4.420 nan 0.000 0.269 687 P C -0.662 176.635 177.300 -0.004 0.000 1.217 687 P CA -0.366 62.694 63.100 -0.067 0.000 0.783 687 P CB 0.570 32.260 31.700 -0.018 0.000 0.898 688 S N 0.912 116.627 115.700 0.027 0.000 2.525 688 S HA 0.177 4.651 4.470 0.007 0.000 0.278 688 S C 1.244 175.916 174.600 0.119 0.000 1.234 688 S CA -0.744 57.516 58.200 0.101 0.000 1.058 688 S CB 0.332 63.595 63.200 0.106 0.000 0.983 688 S HN 0.200 nan 8.310 nan 0.000 0.495 689 R N 2.745 123.335 120.500 0.151 0.000 2.115 689 R HA 0.054 4.398 4.340 0.007 0.000 0.226 689 R C 0.199 176.443 176.300 -0.092 0.000 1.100 689 R CA 0.919 57.007 56.100 -0.019 0.000 0.980 689 R CB -1.435 28.777 30.300 -0.146 0.000 0.875 689 R HN 0.695 nan 8.270 nan 0.000 0.445 690 H N 1.938 121.023 119.070 0.025 0.000 2.671 690 H HA 0.199 4.759 4.556 0.007 0.000 0.372 690 H C -1.913 173.440 175.328 0.042 0.000 1.227 690 H CA -1.714 54.350 56.048 0.027 0.000 1.426 690 H CB -0.522 29.253 29.762 0.022 0.000 1.480 690 H HN 0.019 nan 8.280 nan 0.000 0.611 691 P HA 0.236 nan 4.420 nan 0.000 0.272 691 P C -0.893 176.517 177.300 0.182 0.000 1.230 691 P CA -0.423 62.761 63.100 0.141 0.000 0.788 691 P CB 0.904 32.663 31.700 0.098 0.000 0.949 692 A N 1.404 124.379 122.820 0.259 0.000 2.320 692 A HA 0.669 4.993 4.320 0.007 0.000 0.334 692 A C -0.157 177.677 177.584 0.418 0.000 1.147 692 A CA -0.726 51.473 52.037 0.271 0.000 0.820 692 A CB 0.793 19.890 19.000 0.161 0.000 1.218 692 A HN 0.581 nan 8.150 nan 0.000 0.482 693 A N 0.984 123.991 122.820 0.312 0.000 2.320 693 A HA 0.653 4.977 4.320 0.007 0.000 0.287 693 A C -1.063 176.750 177.584 0.381 0.000 1.181 693 A CA -0.163 52.098 52.037 0.373 0.000 0.831 693 A CB -0.350 18.812 19.000 0.269 0.000 1.102 693 A HN 0.566 nan 8.150 nan 0.000 0.513 694 F N 1.595 121.617 119.950 0.120 0.000 2.427 694 F HA 0.710 5.241 4.527 0.006 0.000 0.346 694 F C 0.593 176.462 175.800 0.115 0.000 1.120 694 F CA -0.333 57.721 58.000 0.091 0.000 1.033 694 F CB 1.786 40.787 39.000 0.002 0.000 1.126 694 F HN 0.667 nan 8.300 nan 0.000 0.462 695 R N 1.586 122.253 120.500 0.277 0.000 2.566 695 R HA 0.462 4.806 4.340 0.007 0.000 0.271 695 R C -1.899 174.557 176.300 0.260 0.000 1.071 695 R CA -0.646 55.603 56.100 0.249 0.000 0.915 695 R CB 1.834 32.278 30.300 0.241 0.000 1.228 695 R HN 0.564 nan 8.270 nan 0.000 0.449 696 D N 2.188 122.741 120.400 0.257 0.000 2.340 696 D HA 0.674 5.319 4.640 0.007 0.000 0.243 696 D C -1.228 175.242 176.300 0.283 0.000 0.988 696 D CA -0.230 53.964 54.000 0.323 0.000 0.959 696 D CB 1.718 42.731 40.800 0.356 0.000 1.226 696 D HN 0.319 nan 8.370 nan 0.000 0.509 697 L N -2.017 119.397 121.223 0.318 0.000 2.781 697 L HA 0.764 5.108 4.340 0.007 0.000 0.256 697 L C -1.697 175.320 176.870 0.245 0.000 0.930 697 L CA -1.087 53.900 54.840 0.245 0.000 0.967 697 L CB 0.671 42.861 42.059 0.218 0.000 1.551 697 L HN 0.372 nan 8.230 nan 0.000 0.445 698 A N 2.148 125.062 122.820 0.157 0.000 2.312 698 A HA 0.946 5.271 4.320 0.007 0.000 0.328 698 A C -0.657 177.008 177.584 0.134 0.000 1.158 698 A CA -0.706 51.384 52.037 0.088 0.000 0.821 698 A CB 1.712 20.724 19.000 0.020 0.000 1.170 698 A HN 0.997 nan 8.150 nan 0.000 0.490 699 V N 2.485 122.477 119.914 0.131 0.000 2.409 699 V HA 0.316 4.440 4.120 0.007 0.000 0.291 699 V C -0.278 175.881 176.094 0.108 0.000 1.020 699 V CA -0.563 61.826 62.300 0.149 0.000 0.848 699 V CB 1.457 33.395 31.823 0.192 0.000 0.990 699 V HN 0.622 nan 8.190 nan 0.000 0.430 700 V N 6.233 126.233 119.914 0.143 0.000 2.408 700 V HA 0.511 4.635 4.120 0.007 0.000 0.267 700 V C -0.019 176.227 176.094 0.253 0.000 1.047 700 V CA -0.098 62.301 62.300 0.165 0.000 0.937 700 V CB 1.234 33.152 31.823 0.158 0.000 0.999 700 V HN 0.630 nan 8.190 nan 0.000 0.472 701 V N 6.713 126.745 119.914 0.197 0.000 2.971 701 V HA 0.480 4.604 4.120 0.007 0.000 0.309 701 V C -2.485 173.574 176.094 -0.059 0.000 1.130 701 V CA -1.917 60.497 62.300 0.190 0.000 0.964 701 V CB 2.901 34.786 31.823 0.103 0.000 1.029 701 V HN 0.641 nan 8.190 nan 0.000 0.427 702 P HA 0.080 nan 4.420 nan 0.000 0.268 702 P C 0.626 177.820 177.300 -0.176 0.000 1.205 702 P CA 0.310 63.103 63.100 -0.510 0.000 0.771 702 P CB 1.020 32.448 31.700 -0.453 0.000 0.858 703 A N 6.169 128.909 122.820 -0.133 0.000 1.958 703 A HA -0.169 4.156 4.320 0.007 0.000 0.221 703 A C -0.180 177.381 177.584 -0.038 0.000 1.178 703 A CA 1.956 53.957 52.037 -0.061 0.000 0.642 703 A CB -2.465 16.508 19.000 -0.044 0.000 0.816 703 A HN 0.536 nan 8.150 nan 0.000 0.453 704 P HA -0.048 nan 4.420 nan 0.000 0.217 704 P C 0.408 177.708 177.300 -0.001 0.000 1.150 704 P CA 1.002 64.091 63.100 -0.019 0.000 0.832 704 P CB -0.669 31.017 31.700 -0.024 0.000 0.787 705 T N 4.405 118.963 114.554 0.008 0.000 2.871 705 T HA 0.104 4.458 4.350 0.007 0.000 0.296 705 T C -2.047 172.664 174.700 0.017 0.000 0.998 705 T CA -0.450 61.671 62.100 0.035 0.000 1.162 705 T CB -0.194 68.727 68.868 0.089 0.000 0.947 705 T HN 0.213 nan 8.240 nan 0.000 0.536 706 P HA 0.019 nan 4.420 nan 0.000 0.271 706 P C 0.345 177.664 177.300 0.031 0.000 1.216 706 P CA -0.471 62.653 63.100 0.039 0.000 0.771 706 P CB 0.664 32.382 31.700 0.030 0.000 0.864 707 Y N 4.281 124.579 120.300 -0.003 0.000 2.151 707 Y HA -0.218 4.337 4.550 0.008 0.000 0.284 707 Y C 2.401 178.309 175.900 0.014 0.000 1.166 707 Y CA 2.590 60.696 58.100 0.009 0.000 1.163 707 Y CB -1.111 37.365 38.460 0.026 0.000 0.974 707 Y HN 0.483 nan 8.280 nan 0.000 0.511 708 G N -0.063 108.700 108.800 -0.061 0.000 2.513 708 G HA2 -0.387 3.577 3.960 0.007 0.000 0.219 708 G HA3 -0.387 3.577 3.960 0.007 0.000 0.219 708 G C 1.588 176.353 174.900 -0.226 0.000 1.160 708 G CA 1.137 46.151 45.100 -0.142 0.000 0.767 708 G HN 0.566 nan 8.290 nan 0.000 0.571 709 E N -0.211 119.887 120.200 -0.170 0.000 2.077 709 E HA -0.101 4.254 4.350 0.007 0.000 0.193 709 E C 2.756 179.194 176.600 -0.270 0.000 0.989 709 E CA 1.110 57.413 56.400 -0.162 0.000 0.800 709 E CB -0.061 29.586 29.700 -0.088 0.000 0.746 709 E HN 0.286 nan 8.360 nan 0.000 0.452 710 V N 1.692 121.384 119.914 -0.370 0.000 2.233 710 V HA -0.269 3.855 4.120 0.007 0.000 0.247 710 V C 2.548 178.382 176.094 -0.433 0.000 1.050 710 V CA 2.170 64.201 62.300 -0.447 0.000 1.010 710 V CB -0.720 30.901 31.823 -0.336 0.000 0.637 710 V HN 0.352 nan 8.190 nan 0.000 0.444 711 E N 0.356 120.227 120.200 -0.548 0.000 2.070 711 E HA -0.292 4.062 4.350 0.007 0.000 0.197 711 E C 2.285 178.656 176.600 -0.383 0.000 1.004 711 E CA 1.875 57.935 56.400 -0.567 0.000 0.805 711 E CB -0.277 29.036 29.700 -0.645 0.000 0.744 711 E HN 0.525 nan 8.360 nan 0.000 0.451 712 A N 1.551 124.195 122.820 -0.293 0.000 1.883 712 A HA -0.192 4.132 4.320 0.007 0.000 0.217 712 A C 2.435 179.913 177.584 -0.176 0.000 1.186 712 A CA 1.474 53.396 52.037 -0.193 0.000 0.624 712 A CB -0.864 18.050 19.000 -0.144 0.000 0.822 712 A HN 0.376 nan 8.150 nan 0.000 0.444 713 L N -0.285 120.827 121.223 -0.186 0.000 2.027 713 L HA -0.156 4.189 4.340 0.007 0.000 0.206 713 L C 2.559 179.335 176.870 -0.156 0.000 1.074 713 L CA 1.528 56.287 54.840 -0.135 0.000 0.745 713 L CB -0.328 41.667 42.059 -0.108 0.000 0.898 713 L HN 0.295 nan 8.230 nan 0.000 0.433 714 V N 0.100 119.862 119.914 -0.253 0.000 2.255 714 V HA -0.356 3.768 4.120 0.007 0.000 0.247 714 V C 2.650 178.613 176.094 -0.219 0.000 1.051 714 V CA 2.384 64.516 62.300 -0.280 0.000 1.018 714 V CB -0.841 30.646 31.823 -0.559 0.000 0.641 714 V HN 0.541 nan 8.190 nan 0.000 0.445 715 R N 0.058 120.414 120.500 -0.240 0.000 2.070 715 R HA -0.204 4.141 4.340 0.007 0.000 0.233 715 R C 2.440 178.668 176.300 -0.121 0.000 1.137 715 R CA 1.882 57.875 56.100 -0.178 0.000 0.945 715 R CB -0.497 29.702 30.300 -0.167 0.000 0.845 715 R HN 0.451 nan 8.270 nan 0.000 0.430 716 E N 0.453 120.587 120.200 -0.111 0.000 2.114 716 E HA -0.205 4.149 4.350 0.007 0.000 0.199 716 E C 1.506 178.070 176.600 -0.060 0.000 1.008 716 E CA 1.842 58.195 56.400 -0.078 0.000 0.810 716 E CB -0.142 29.517 29.700 -0.070 0.000 0.739 716 E HN 0.534 nan 8.360 nan 0.000 0.456 717 A N -0.032 122.755 122.820 -0.056 0.000 2.178 717 A HA 0.284 4.608 4.320 0.007 0.000 0.211 717 A C 2.129 179.713 177.584 0.001 0.000 1.157 717 A CA 0.918 52.939 52.037 -0.026 0.000 0.780 717 A CB -0.070 18.919 19.000 -0.017 0.000 0.828 717 A HN 0.240 nan 8.150 nan 0.000 0.476 718 A N -0.684 122.133 122.820 -0.006 0.000 2.225 718 A HA 0.410 4.734 4.320 0.007 0.000 0.215 718 A C 1.502 179.173 177.584 0.145 0.000 1.164 718 A CA 1.337 53.420 52.037 0.077 0.000 0.710 718 A CB -1.093 17.896 19.000 -0.017 0.000 0.780 718 A HN 2.069 nan 8.150 nan 0.000 0.473 719 G N -1.228 107.596 108.800 0.039 0.000 2.746 719 G HA2 -0.096 3.868 3.960 0.007 0.000 0.685 719 G HA3 -0.096 3.868 3.960 0.007 0.000 0.685 719 G C -1.364 173.495 174.900 -0.068 0.000 1.350 719 G CA -0.223 44.877 45.100 -0.000 0.000 0.837 719 G HN 0.243 nan 8.290 nan 0.000 0.564 720 P HA 0.077 nan 4.420 nan 0.000 0.242 720 P C 0.136 177.270 177.300 -0.277 0.000 1.197 720 P CA 1.032 63.946 63.100 -0.309 0.000 0.765 720 P CB 0.010 31.438 31.700 -0.454 0.000 0.936 721 Y N -0.563 119.776 120.300 0.065 0.000 2.696 721 Y HA 0.311 4.865 4.550 0.007 0.000 0.260 721 Y C 0.786 176.720 175.900 0.057 0.000 1.165 721 Y CA -1.744 56.412 58.100 0.094 0.000 1.189 721 Y CB -0.316 38.263 38.460 0.198 0.000 1.180 721 Y HN -0.120 nan 8.280 nan 0.000 0.538 722 L N 0.807 122.020 121.223 -0.017 0.000 2.331 722 L HA 0.246 4.590 4.340 0.007 0.000 0.278 722 L C 1.040 177.739 176.870 -0.285 0.000 1.106 722 L CA 0.525 55.120 54.840 -0.407 0.000 0.824 722 L CB 0.944 42.793 42.059 -0.349 0.000 1.142 722 L HN 0.304 nan 8.230 nan 0.000 0.443 723 E N 1.751 121.728 120.200 -0.372 0.000 2.110 723 E HA 0.164 4.518 4.350 0.007 0.000 0.194 723 E C -0.076 176.391 176.600 -0.221 0.000 0.944 723 E CA 0.175 56.436 56.400 -0.233 0.000 0.899 723 E CB 0.496 30.067 29.700 -0.216 0.000 0.907 723 E HN 0.761 nan 8.360 nan 0.000 0.473 724 S N -0.388 115.151 115.700 -0.269 0.000 2.766 724 S HA 0.646 5.120 4.470 0.007 0.000 0.307 724 S C -0.793 173.706 174.600 -0.168 0.000 1.121 724 S CA -0.748 57.343 58.200 -0.181 0.000 0.980 724 S CB 1.905 65.007 63.200 -0.163 0.000 1.159 724 S HN 0.333 nan 8.310 nan 0.000 0.546 725 L N 1.031 122.224 121.223 -0.050 0.000 3.096 725 L HA 0.529 4.873 4.340 0.007 0.000 0.242 725 L C -1.698 175.279 176.870 0.179 0.000 0.957 725 L CA -0.102 54.751 54.840 0.021 0.000 1.141 725 L CB 0.076 42.078 42.059 -0.096 0.000 1.584 725 L HN 0.809 nan 8.230 nan 0.000 0.570 726 A N 3.716 126.720 122.820 0.308 0.000 2.371 726 A HA 0.690 5.015 4.320 0.007 0.000 0.311 726 A C -1.179 176.660 177.584 0.426 0.000 1.068 726 A CA -0.568 51.675 52.037 0.343 0.000 0.744 726 A CB 1.834 20.973 19.000 0.232 0.000 1.239 726 A HN 0.633 nan 8.150 nan 0.000 0.435 727 L N 4.170 125.570 121.223 0.294 0.000 2.515 727 L HA 0.394 4.738 4.340 0.007 0.000 0.281 727 L C 0.080 176.928 176.870 -0.037 0.000 1.131 727 L CA 0.105 54.931 54.840 -0.024 0.000 0.905 727 L CB -0.744 41.219 42.059 -0.160 0.000 1.246 727 L HN 0.655 nan 8.230 nan 0.000 0.463 728 F N 1.017 120.813 119.950 -0.257 0.000 2.695 728 F HA 0.531 5.062 4.527 0.006 0.000 0.303 728 F C -0.138 175.530 175.800 -0.221 0.000 1.091 728 F CA -0.954 56.901 58.000 -0.241 0.000 1.300 728 F CB -0.318 38.449 39.000 -0.389 0.000 1.071 728 F HN 0.490 nan 8.300 nan 0.000 0.578 729 D N 0.750 120.762 120.400 -0.646 0.000 2.625 729 D HA 0.335 4.979 4.640 0.007 0.000 0.203 729 D C -2.178 173.864 176.300 -0.430 0.000 1.230 729 D CA -0.381 53.314 54.000 -0.507 0.000 0.784 729 D CB 1.387 41.846 40.800 -0.567 0.000 1.936 729 D HN 0.127 nan 8.370 nan 0.000 0.522 730 L N 4.704 125.772 121.223 -0.258 0.000 2.313 730 L HA 0.826 5.170 4.340 0.007 0.000 0.283 730 L C -2.003 174.859 176.870 -0.014 0.000 1.013 730 L CA -0.502 54.235 54.840 -0.171 0.000 0.816 730 L CB 1.219 43.175 42.059 -0.171 0.000 1.236 730 L HN 0.487 nan 8.230 nan 0.000 0.419 731 Y N 3.621 123.830 120.300 -0.152 0.000 2.571 731 Y HA 0.693 5.246 4.550 0.006 0.000 0.341 731 Y C -1.565 174.300 175.900 -0.058 0.000 1.076 731 Y CA -0.672 57.367 58.100 -0.100 0.000 1.029 731 Y CB 1.772 40.170 38.460 -0.103 0.000 1.308 731 Y HN 0.784 nan 8.280 nan 0.000 0.461 732 Q N 3.187 122.438 119.800 -0.915 0.000 2.438 732 Q HA 0.709 5.053 4.340 0.007 0.000 0.272 732 Q C -0.824 174.719 176.000 -0.762 0.000 0.994 732 Q CA -0.450 54.945 55.803 -0.679 0.000 0.887 732 Q CB 2.306 30.881 28.738 -0.272 0.000 1.432 732 Q HN 1.312 nan 8.270 nan 0.000 0.392 733 G N 1.368 109.874 108.800 -0.489 0.000 2.217 733 G HA2 0.076 4.040 3.960 0.007 0.000 0.173 733 G HA3 0.076 4.040 3.960 0.007 0.000 0.173 733 G C -3.034 171.774 174.900 -0.154 0.000 1.324 733 G CA -0.168 44.771 45.100 -0.269 0.000 1.225 733 G HN 0.674 nan 8.290 nan 0.000 0.494 734 P HA 0.334 nan 4.420 nan 0.000 0.285 734 P C -2.023 175.347 177.300 0.118 0.000 1.259 734 P CA -0.995 62.125 63.100 0.034 0.000 0.794 734 P CB 1.829 33.560 31.700 0.052 0.000 0.940 735 P HA 0.142 nan 4.420 nan 0.000 0.255 735 P C 0.621 177.918 177.300 -0.004 0.000 1.248 735 P CA 0.063 63.183 63.100 0.032 0.000 0.807 735 P CB 0.613 32.335 31.700 0.037 0.000 1.150 736 L N 2.684 123.895 121.223 -0.019 0.000 2.483 736 L HA 0.112 4.456 4.340 0.007 0.000 0.275 736 L C -1.563 175.255 176.870 -0.086 0.000 1.220 736 L CA -1.550 53.258 54.840 -0.054 0.000 0.833 736 L CB -0.181 41.842 42.059 -0.060 0.000 1.102 736 L HN -0.082 nan 8.230 nan 0.000 0.490 737 P HA 0.051 nan 4.420 nan 0.000 0.267 737 P C -0.718 176.526 177.300 -0.092 0.000 1.328 737 P CA -0.287 62.694 63.100 -0.197 0.000 0.990 737 P CB 0.096 31.546 31.700 -0.418 0.000 1.168 738 E N 2.266 122.448 120.200 -0.030 0.000 2.953 738 E HA 0.085 4.439 4.350 0.007 0.000 0.283 738 E C 1.547 178.213 176.600 0.110 0.000 0.931 738 E CA 1.883 58.292 56.400 0.016 0.000 0.979 738 E CB -0.446 29.253 29.700 -0.002 0.000 0.976 738 E HN 0.727 nan 8.360 nan 0.000 0.486 739 G N 1.323 110.177 108.800 0.091 0.000 2.157 739 G HA2 -0.246 3.718 3.960 0.007 0.000 0.239 739 G HA3 -0.246 3.718 3.960 0.007 0.000 0.239 739 G C -0.313 174.636 174.900 0.081 0.000 0.982 739 G CA 0.263 45.417 45.100 0.090 0.000 0.650 739 G HN 0.596 nan 8.290 nan 0.000 0.527 740 H N -0.098 118.948 119.070 -0.040 0.000 2.869 740 H HA 0.840 5.400 4.556 0.006 0.000 0.342 740 H C 0.317 175.602 175.328 -0.072 0.000 1.250 740 H CA 0.054 56.084 56.048 -0.030 0.000 1.217 740 H CB 1.643 31.394 29.762 -0.018 0.000 1.917 740 H HN 0.514 nan 8.280 nan 0.000 0.586 741 K N -0.975 119.461 120.400 0.060 0.000 2.625 741 K HA 0.560 4.884 4.320 0.007 0.000 0.284 741 K C -1.543 175.054 176.600 -0.006 0.000 0.984 741 K CA -1.036 55.227 56.287 -0.040 0.000 0.865 741 K CB 1.656 34.118 32.500 -0.064 0.000 1.468 741 K HN 0.577 nan 8.250 nan 0.000 0.407 742 S N 1.365 117.046 115.700 -0.031 0.000 2.509 742 S HA 0.631 5.105 4.470 0.007 0.000 0.297 742 S C -0.362 174.175 174.600 -0.105 0.000 1.118 742 S CA -0.968 57.221 58.200 -0.018 0.000 1.074 742 S CB 0.771 63.987 63.200 0.026 0.000 1.038 742 S HN 0.524 nan 8.310 nan 0.000 0.498 743 L N 2.340 123.460 121.223 -0.171 0.000 2.316 743 L HA 0.590 4.934 4.340 0.007 0.000 0.280 743 L C 0.191 176.671 176.870 -0.650 0.000 1.006 743 L CA -0.895 53.687 54.840 -0.430 0.000 0.836 743 L CB 1.467 43.262 42.059 -0.441 0.000 1.221 743 L HN 0.943 nan 8.230 nan 0.000 0.418 744 A N 4.129 126.500 122.820 -0.748 0.000 2.395 744 A HA 0.538 4.863 4.320 0.007 0.000 0.286 744 A C -0.800 176.288 177.584 -0.826 0.000 1.193 744 A CA 0.119 51.584 52.037 -0.952 0.000 0.852 744 A CB -0.447 17.534 19.000 -1.699 0.000 1.118 744 A HN 0.458 nan 8.150 nan 0.000 0.524 745 F N 1.060 121.060 119.950 0.084 0.000 2.458 745 F HA 0.318 4.852 4.527 0.010 0.000 0.336 745 F C 0.632 176.740 175.800 0.514 0.000 1.114 745 F CA -0.246 57.934 58.000 0.299 0.000 0.987 745 F CB 1.508 40.604 39.000 0.159 0.000 1.130 745 F HN 0.608 nan 8.300 nan 0.000 0.458 746 H N 3.821 123.221 119.070 0.550 0.000 2.594 746 H HA 0.522 5.083 4.556 0.007 0.000 0.304 746 H C -0.962 174.419 175.328 0.088 0.000 1.068 746 H CA -0.755 55.373 56.048 0.133 0.000 1.308 746 H CB 0.999 30.696 29.762 -0.108 0.000 1.409 746 H HN 0.348 nan 8.280 nan 0.000 0.460 747 L N 3.909 125.234 121.223 0.169 0.000 2.342 747 L HA 0.512 4.856 4.340 0.007 0.000 0.271 747 L C -0.081 176.679 176.870 -0.183 0.000 1.008 747 L CA -0.479 54.350 54.840 -0.018 0.000 0.818 747 L CB 1.736 43.839 42.059 0.073 0.000 1.296 747 L HN 0.555 nan 8.230 nan 0.000 0.427 748 R N 1.446 121.685 120.500 -0.435 0.000 2.795 748 R HA 0.750 5.094 4.340 0.007 0.000 0.275 748 R C -1.643 174.276 176.300 -0.635 0.000 0.981 748 R CA -0.724 55.078 56.100 -0.496 0.000 0.917 748 R CB 2.240 32.193 30.300 -0.578 0.000 1.202 748 R HN 0.315 nan 8.270 nan 0.000 0.469 749 F N 0.160 120.039 119.950 -0.120 0.000 2.613 749 F HA 0.632 5.163 4.527 0.007 0.000 0.314 749 F C 0.085 175.874 175.800 -0.017 0.000 1.075 749 F CA -0.766 57.221 58.000 -0.021 0.000 0.945 749 F CB 2.306 41.325 39.000 0.031 0.000 1.310 749 F HN 0.181 nan 8.300 nan 0.000 0.467 750 R N 0.622 121.224 120.500 0.169 0.000 2.664 750 R HA 0.215 4.560 4.340 0.007 0.000 0.260 750 R C -2.260 174.028 176.300 -0.019 0.000 1.062 750 R CA -0.770 55.376 56.100 0.076 0.000 0.902 750 R CB 1.878 32.205 30.300 0.044 0.000 1.258 750 R HN 0.796 nan 8.270 nan 0.000 0.465 751 H N 4.891 123.852 119.070 -0.182 0.000 2.505 751 H HA 0.281 4.841 4.556 0.007 0.000 0.338 751 H C -1.887 173.311 175.328 -0.217 0.000 1.057 751 H CA -2.081 53.764 56.048 -0.338 0.000 1.202 751 H CB 2.291 31.749 29.762 -0.507 0.000 1.466 751 H HN 0.362 nan 8.280 nan 0.000 0.499 752 P HA -0.213 nan 4.420 nan 0.000 0.215 752 P C 1.305 178.622 177.300 0.028 0.000 1.157 752 P CA 1.480 64.568 63.100 -0.021 0.000 0.874 752 P CB 0.823 32.486 31.700 -0.062 0.000 0.790 753 K N -0.359 120.111 120.400 0.117 0.000 2.044 753 K HA -0.062 4.262 4.320 0.007 0.000 0.204 753 K C 1.187 177.508 176.600 -0.464 0.000 1.045 753 K CA 0.834 57.103 56.287 -0.030 0.000 0.951 753 K CB 0.244 32.777 32.500 0.055 0.000 0.738 753 K HN 0.115 nan 8.250 nan 0.000 0.443 754 R N -1.014 119.140 120.500 -0.576 0.000 3.121 754 R HA 0.396 4.740 4.340 0.007 0.000 0.242 754 R C -0.534 175.416 176.300 -0.583 0.000 1.402 754 R CA -0.843 54.806 56.100 -0.750 0.000 1.042 754 R CB -0.067 29.986 30.300 -0.412 0.000 1.410 754 R HN -0.225 nan 8.270 nan 0.000 0.494 755 T N 0.527 114.924 114.554 -0.261 0.000 2.847 755 T HA 0.435 4.789 4.350 0.007 0.000 0.279 755 T C -0.047 174.561 174.700 -0.153 0.000 0.984 755 T CA -0.611 61.432 62.100 -0.094 0.000 0.988 755 T CB 0.406 69.284 68.868 0.017 0.000 1.040 755 T HN 0.176 nan 8.240 nan 0.000 0.528 756 L N 1.746 122.923 121.223 -0.077 0.000 2.295 756 L HA 0.493 4.837 4.340 0.007 0.000 0.285 756 L C 0.505 177.339 176.870 -0.060 0.000 1.035 756 L CA -1.072 53.713 54.840 -0.091 0.000 0.806 756 L CB 1.134 43.163 42.059 -0.050 0.000 1.214 756 L HN 0.316 nan 8.230 nan 0.000 0.426 757 R N 1.995 122.454 120.500 -0.069 0.000 2.390 757 R HA 0.069 4.413 4.340 0.007 0.000 0.291 757 R C 0.704 176.977 176.300 -0.045 0.000 1.070 757 R CA -0.182 55.889 56.100 -0.048 0.000 1.014 757 R CB 0.877 31.148 30.300 -0.047 0.000 1.007 757 R HN 0.597 nan 8.270 nan 0.000 0.466 758 D N 2.518 122.897 120.400 -0.036 0.000 2.280 758 D HA -0.209 4.435 4.640 0.007 0.000 0.206 758 D C 0.856 177.128 176.300 -0.047 0.000 0.988 758 D CA 1.531 55.507 54.000 -0.040 0.000 0.886 758 D CB 0.506 41.292 40.800 -0.023 0.000 0.914 758 D HN 0.493 nan 8.370 nan 0.000 0.473 759 E N 1.036 121.214 120.200 -0.037 0.000 2.028 759 E HA -0.136 4.218 4.350 0.007 0.000 0.191 759 E C 2.041 178.619 176.600 -0.037 0.000 0.988 759 E CA 0.813 57.195 56.400 -0.030 0.000 0.799 759 E CB -0.228 29.461 29.700 -0.019 0.000 0.755 759 E HN 0.400 nan 8.360 nan 0.000 0.447 760 E N 0.046 120.227 120.200 -0.032 0.000 2.118 760 E HA -0.156 4.198 4.350 0.007 0.000 0.195 760 E C 2.026 178.569 176.600 -0.094 0.000 0.992 760 E CA 1.363 57.754 56.400 -0.015 0.000 0.804 760 E CB -0.017 29.702 29.700 0.031 0.000 0.741 760 E HN 0.066 nan 8.360 nan 0.000 0.458 761 V N 1.242 121.053 119.914 -0.171 0.000 2.231 761 V HA -0.175 3.949 4.120 0.007 0.000 0.240 761 V C 2.147 178.076 176.094 -0.276 0.000 1.039 761 V CA 1.466 63.545 62.300 -0.369 0.000 0.998 761 V CB -0.492 31.129 31.823 -0.336 0.000 0.639 761 V HN 0.111 nan 8.190 nan 0.000 0.451 762 E N 0.036 120.146 120.200 -0.149 0.000 2.273 762 E HA -0.231 4.123 4.350 0.007 0.000 0.198 762 E C 2.176 178.739 176.600 -0.062 0.000 1.002 762 E CA 1.123 57.473 56.400 -0.084 0.000 0.828 762 E CB -0.171 29.503 29.700 -0.043 0.000 0.747 762 E HN 0.696 nan 8.360 nan 0.000 0.491 763 E N -0.180 119.979 120.200 -0.068 0.000 2.086 763 E HA -0.038 4.316 4.350 0.007 0.000 0.190 763 E C 1.850 178.428 176.600 -0.037 0.000 0.975 763 E CA 0.795 57.173 56.400 -0.037 0.000 0.813 763 E CB 0.087 29.773 29.700 -0.025 0.000 0.768 763 E HN 0.131 nan 8.360 nan 0.000 0.457 764 A N 1.447 124.223 122.820 -0.074 0.000 1.930 764 A HA -0.107 4.217 4.320 0.007 0.000 0.217 764 A C 2.354 179.934 177.584 -0.007 0.000 1.175 764 A CA 1.503 53.515 52.037 -0.041 0.000 0.627 764 A CB -0.821 18.133 19.000 -0.077 0.000 0.815 764 A HN 0.283 nan 8.150 nan 0.000 0.443 765 V N -2.698 117.183 119.914 -0.055 0.000 3.241 765 V HA -0.044 4.080 4.120 0.007 0.000 0.269 765 V C 1.624 177.739 176.094 0.036 0.000 1.151 765 V CA 2.284 64.599 62.300 0.025 0.000 1.158 765 V CB -0.440 31.388 31.823 0.009 0.000 0.764 765 V HN 0.336 nan 8.190 nan 0.000 0.508 766 S N 0.211 115.921 115.700 0.015 0.000 2.502 766 S HA 0.168 4.643 4.470 0.007 0.000 0.228 766 S C 1.894 176.509 174.600 0.025 0.000 1.061 766 S CA 0.039 58.252 58.200 0.021 0.000 0.935 766 S CB -0.142 63.063 63.200 0.010 0.000 0.809 766 S HN 0.498 nan 8.310 nan 0.000 0.510 767 R N 1.511 122.023 120.500 0.020 0.000 2.200 767 R HA 0.021 4.366 4.340 0.007 0.000 0.234 767 R C 1.899 178.215 176.300 0.026 0.000 1.127 767 R CA 0.717 56.829 56.100 0.019 0.000 0.989 767 R CB -1.316 28.994 30.300 0.016 0.000 0.869 767 R HN 0.357 nan 8.270 nan 0.000 0.459 768 V N 0.576 120.512 119.914 0.037 0.000 2.341 768 V HA 0.006 4.130 4.120 0.007 0.000 0.240 768 V C 2.443 178.566 176.094 0.049 0.000 1.035 768 V CA 1.368 63.690 62.300 0.037 0.000 1.033 768 V CB -0.958 30.891 31.823 0.043 0.000 0.678 768 V HN 0.252 nan 8.190 nan 0.000 0.464 769 A N -0.152 122.702 122.820 0.057 0.000 2.032 769 A HA -0.307 4.017 4.320 0.007 0.000 0.221 769 A C 2.174 179.794 177.584 0.060 0.000 1.165 769 A CA 2.306 54.383 52.037 0.066 0.000 0.645 769 A CB -0.499 18.538 19.000 0.062 0.000 0.807 769 A HN 0.695 nan 8.150 nan 0.000 0.453 770 E N -0.183 120.044 120.200 0.046 0.000 1.999 770 E HA -0.060 4.294 4.350 0.007 0.000 0.194 770 E C 2.092 178.718 176.600 0.043 0.000 0.995 770 E CA 0.941 57.363 56.400 0.036 0.000 0.825 770 E CB -0.305 29.410 29.700 0.025 0.000 0.777 770 E HN 0.464 nan 8.360 nan 0.000 0.459 771 A N 0.735 123.580 122.820 0.042 0.000 2.172 771 A HA -0.103 4.221 4.320 0.007 0.000 0.216 771 A C 2.013 179.655 177.584 0.096 0.000 1.154 771 A CA 0.767 52.834 52.037 0.050 0.000 0.701 771 A CB -0.457 18.564 19.000 0.036 0.000 0.789 771 A HN 0.399 nan 8.150 nan 0.000 0.465 772 L N -0.432 120.857 121.223 0.110 0.000 2.027 772 L HA -0.048 4.296 4.340 0.007 0.000 0.206 772 L C 2.374 179.383 176.870 0.233 0.000 1.074 772 L CA 1.864 56.820 54.840 0.192 0.000 0.745 772 L CB -0.422 41.720 42.059 0.138 0.000 0.898 772 L HN 0.343 nan 8.230 nan 0.000 0.433 773 R N -1.083 119.489 120.500 0.120 0.000 2.112 773 R HA 0.151 4.495 4.340 0.007 0.000 0.216 773 R C 2.138 178.436 176.300 -0.003 0.000 1.080 773 R CA 0.814 56.950 56.100 0.060 0.000 0.996 773 R CB -0.455 29.874 30.300 0.048 0.000 0.902 773 R HN 0.406 nan 8.270 nan 0.000 0.449 774 A N 1.010 123.838 122.820 0.013 0.000 2.131 774 A HA -0.111 4.213 4.320 0.007 0.000 0.220 774 A C 1.813 179.373 177.584 -0.040 0.000 1.158 774 A CA 1.151 53.182 52.037 -0.010 0.000 0.665 774 A CB -0.148 18.855 19.000 0.006 0.000 0.795 774 A HN 0.042 nan 8.150 nan 0.000 0.460 775 R N -1.693 118.781 120.500 -0.043 0.000 2.312 775 R HA 0.165 4.509 4.340 0.007 0.000 0.205 775 R C 1.022 177.027 176.300 -0.492 0.000 0.904 775 R CA 0.787 56.815 56.100 -0.120 0.000 1.052 775 R CB -0.099 30.283 30.300 0.136 0.000 1.014 775 R HN 0.837 nan 8.270 nan 0.000 0.503 776 G N 0.875 109.411 108.800 -0.440 0.000 2.173 776 G HA2 -0.207 3.757 3.960 0.007 0.000 0.174 776 G HA3 -0.207 3.757 3.960 0.007 0.000 0.174 776 G C -0.435 174.049 174.900 -0.692 0.000 1.025 776 G CA -0.470 44.309 45.100 -0.535 0.000 0.706 776 G HN 0.129 nan 8.290 nan 0.000 0.499 777 F N 0.113 120.083 119.950 0.034 0.000 2.546 777 F HA 0.765 5.297 4.527 0.007 0.000 0.320 777 F C 1.048 176.882 175.800 0.056 0.000 1.076 777 F CA -0.380 57.649 58.000 0.049 0.000 0.928 777 F CB 1.466 40.490 39.000 0.039 0.000 1.189 777 F HN 0.208 nan 8.300 nan 0.000 0.465 778 G N 0.421 109.380 108.800 0.266 0.000 2.494 778 G HA2 0.492 4.456 3.960 0.007 0.000 0.270 778 G HA3 0.492 4.456 3.960 0.007 0.000 0.270 778 G C -1.544 173.450 174.900 0.155 0.000 1.423 778 G CA -0.357 44.843 45.100 0.167 0.000 1.055 778 G HN 0.612 nan 8.290 nan 0.000 0.536 779 L N -0.876 120.417 121.223 0.117 0.000 2.409 779 L HA 0.382 4.727 4.340 0.007 0.000 0.262 779 L C 1.467 178.392 176.870 0.091 0.000 1.346 779 L CA -0.360 54.547 54.840 0.110 0.000 0.848 779 L CB 0.437 42.557 42.059 0.102 0.000 1.006 779 L HN 0.697 nan 8.230 nan 0.000 0.505 780 R N 1.741 122.294 120.500 0.088 0.000 2.165 780 R HA -0.081 4.264 4.340 0.007 0.000 0.254 780 R C 0.426 176.769 176.300 0.072 0.000 1.153 780 R CA 1.695 57.839 56.100 0.074 0.000 0.971 780 R CB 0.204 30.546 30.300 0.071 0.000 0.878 780 R HN 0.732 nan 8.270 nan 0.000 0.449 781 G N -0.073 108.778 108.800 0.085 0.000 2.575 781 G HA2 0.361 4.325 3.960 0.007 0.000 0.279 781 G HA3 0.361 4.325 3.960 0.007 0.000 0.279 781 G C -1.514 173.448 174.900 0.102 0.000 1.460 781 G CA -0.718 44.434 45.100 0.087 0.000 1.214 781 G HN 0.130 nan 8.290 nan 0.000 0.582 782 L N 2.242 123.518 121.223 0.089 0.000 2.379 782 L HA 0.520 4.864 4.340 0.007 0.000 0.269 782 L C 0.726 177.649 176.870 0.088 0.000 1.084 782 L CA -0.356 54.539 54.840 0.092 0.000 0.802 782 L CB 1.159 43.262 42.059 0.074 0.000 1.175 782 L HN 0.643 nan 8.230 nan 0.000 0.448 783 D N 1.998 122.455 120.400 0.094 0.000 2.737 783 D HA -0.173 4.471 4.640 0.007 0.000 0.233 783 D C -0.299 176.059 176.300 0.096 0.000 1.155 783 D CA 0.824 54.876 54.000 0.086 0.000 0.667 783 D CB -0.512 40.323 40.800 0.058 0.000 1.060 783 D HN 0.662 nan 8.370 nan 0.000 0.427 784 T N 1.468 116.095 114.554 0.122 0.000 2.916 784 T HA 0.256 4.611 4.350 0.007 0.000 0.303 784 T C -1.686 173.091 174.700 0.129 0.000 1.025 784 T CA -0.790 61.386 62.100 0.126 0.000 1.142 784 T CB 1.261 70.222 68.868 0.154 0.000 0.947 784 T HN 0.118 nan 8.240 nan 0.000 0.544 785 P HA 0.000 nan 4.420 nan 0.000 0.216 785 P CA 0.000 63.153 63.100 0.088 0.000 0.800 785 P CB 0.000 31.739 31.700 0.065 0.000 0.726