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 2amc_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 0.000 176.273 176.300 -0.045 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.032 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 R N 2.828 123.303 120.500 -0.042 0.000 2.347 2 R HA 0.509 4.854 4.340 0.008 0.000 0.304 2 R C -0.940 175.313 176.300 -0.078 0.000 1.072 2 R CA -0.418 55.665 56.100 -0.029 0.000 0.980 2 R CB 1.009 31.320 30.300 0.017 0.000 0.986 2 R HN 0.449 nan 8.270 nan 0.000 0.448 3 V N 5.935 125.811 119.914 -0.063 0.000 2.284 3 V HA 0.213 4.338 4.120 0.008 0.000 0.274 3 V C -2.216 173.872 176.094 -0.010 0.000 1.023 3 V CA -2.154 60.087 62.300 -0.100 0.000 0.808 3 V CB 1.384 33.140 31.823 -0.112 0.000 1.035 3 V HN 0.614 nan 8.190 nan 0.000 0.445 4 P HA 0.134 nan 4.420 nan 0.000 0.275 4 P C 0.656 178.057 177.300 0.168 0.000 1.276 4 P CA -0.099 63.096 63.100 0.158 0.000 0.782 4 P CB 0.420 32.309 31.700 0.314 0.000 0.851 5 F N 4.342 124.313 119.950 0.034 0.000 2.045 5 F HA -0.328 4.204 4.527 0.008 0.000 0.297 5 F C 2.246 178.076 175.800 0.049 0.000 1.114 5 F CA 2.791 60.802 58.000 0.018 0.000 1.207 5 F CB -0.792 38.209 39.000 0.003 0.000 0.964 5 F HN 0.299 nan 8.300 nan 0.000 0.486 6 S N -0.390 115.344 115.700 0.056 0.000 2.447 6 S HA -0.226 4.248 4.470 0.008 0.000 0.233 6 S C 1.965 176.555 174.600 -0.016 0.000 1.006 6 S CA 0.845 59.010 58.200 -0.058 0.000 0.957 6 S CB -1.249 61.997 63.200 0.077 0.000 0.773 6 S HN 0.681 nan 8.310 nan 0.000 0.507 7 W N 2.016 123.237 121.300 -0.131 0.000 2.444 7 W HA 0.166 4.831 4.660 0.008 0.000 0.308 7 W C 1.862 178.237 176.519 -0.239 0.000 1.183 7 W CA 0.390 57.658 57.345 -0.129 0.000 1.340 7 W CB -1.030 28.425 29.460 -0.009 0.000 1.138 7 W HN 0.394 nan 8.180 nan 0.000 0.510 8 L N 2.253 123.486 121.223 0.017 0.000 2.042 8 L HA -0.196 4.149 4.340 0.008 0.000 0.210 8 L C 2.500 179.267 176.870 -0.173 0.000 1.076 8 L CA 2.530 57.331 54.840 -0.065 0.000 0.749 8 L CB -1.205 40.753 42.059 -0.169 0.000 0.893 8 L HN -0.045 nan 8.230 nan 0.000 0.432 9 K N -0.910 119.279 120.400 -0.351 0.000 2.218 9 K HA -0.176 4.149 4.320 0.008 0.000 0.205 9 K C 1.885 178.320 176.600 -0.275 0.000 1.046 9 K CA 1.131 57.184 56.287 -0.389 0.000 0.933 9 K CB -0.198 31.978 32.500 -0.539 0.000 0.728 9 K HN 0.512 nan 8.250 nan 0.000 0.454 10 A N -0.260 122.365 122.820 -0.326 0.000 2.067 10 A HA -0.115 4.210 4.320 0.008 0.000 0.219 10 A C 1.243 178.566 177.584 -0.434 0.000 1.158 10 A CA 1.031 52.820 52.037 -0.414 0.000 0.661 10 A CB -0.341 18.341 19.000 -0.528 0.000 0.801 10 A HN 0.375 nan 8.150 nan 0.000 0.452 11 Y N -1.608 118.657 120.300 -0.058 0.000 2.522 11 Y HA 0.245 4.800 4.550 0.008 0.000 0.277 11 Y C 0.709 176.554 175.900 -0.091 0.000 1.104 11 Y CA -0.061 57.995 58.100 -0.073 0.000 1.260 11 Y CB 0.348 38.755 38.460 -0.088 0.000 1.151 11 Y HN -0.027 nan 8.280 nan 0.000 0.539 12 V N 3.826 123.738 119.914 -0.004 0.000 2.233 12 V HA 0.176 4.301 4.120 0.008 0.000 0.261 12 V C -1.644 174.388 176.094 -0.103 0.000 1.076 12 V CA -1.399 60.864 62.300 -0.062 0.000 1.001 12 V CB 0.747 32.463 31.823 -0.178 0.000 1.206 12 V HN 0.055 nan 8.190 nan 0.000 0.468 13 P HA -0.200 nan 4.420 nan 0.000 0.217 13 P C 0.907 178.203 177.300 -0.006 0.000 1.148 13 P CA 1.386 64.454 63.100 -0.053 0.000 0.828 13 P CB 0.556 32.238 31.700 -0.030 0.000 0.783 14 E N -0.601 119.642 120.200 0.071 0.000 2.502 14 E HA 0.093 4.448 4.350 0.008 0.000 0.194 14 E C 0.569 177.293 176.600 0.207 0.000 1.062 14 E CA -0.385 56.110 56.400 0.159 0.000 0.867 14 E CB -0.361 29.486 29.700 0.245 0.000 0.888 14 E HN 0.310 nan 8.360 nan 0.000 0.510 15 L N 1.990 123.241 121.223 0.047 0.000 2.601 15 L HA -0.108 4.237 4.340 0.008 0.000 0.277 15 L C 1.218 178.231 176.870 0.239 0.000 1.219 15 L CA 0.023 54.895 54.840 0.053 0.000 0.915 15 L CB 0.388 42.373 42.059 -0.123 0.000 1.160 15 L HN 0.081 nan 8.230 nan 0.000 0.494 16 E N 1.338 121.698 120.200 0.267 0.000 2.106 16 E HA -0.077 4.278 4.350 0.008 0.000 0.192 16 E C 0.228 176.940 176.600 0.187 0.000 0.984 16 E CA 1.072 57.596 56.400 0.208 0.000 0.806 16 E CB 0.155 29.954 29.700 0.164 0.000 0.750 16 E HN 0.771 nan 8.360 nan 0.000 0.458 17 S N -3.381 112.438 115.700 0.197 0.000 2.710 17 S HA 0.095 4.570 4.470 0.008 0.000 0.274 17 S C -2.562 171.833 174.600 -0.342 0.000 1.029 17 S CA -0.986 57.129 58.200 -0.142 0.000 0.864 17 S CB 0.783 63.909 63.200 -0.124 0.000 1.103 17 S HN -0.217 nan 8.310 nan 0.000 0.460 18 P HA -0.074 nan 4.420 nan 0.000 0.216 18 P C 1.000 178.207 177.300 -0.155 0.000 1.150 18 P CA 1.644 64.447 63.100 -0.494 0.000 0.837 18 P CB -0.089 31.280 31.700 -0.553 0.000 0.786 19 E N -0.097 120.018 120.200 -0.142 0.000 2.051 19 E HA -0.106 4.249 4.350 0.008 0.000 0.192 19 E C 2.171 178.765 176.600 -0.010 0.000 0.991 19 E CA 0.893 57.257 56.400 -0.060 0.000 0.799 19 E CB -1.422 28.246 29.700 -0.054 0.000 0.748 19 E HN 0.034 nan 8.360 nan 0.000 0.449 20 V N 0.829 120.749 119.914 0.009 0.000 2.515 20 V HA -0.178 3.946 4.120 0.008 0.000 0.250 20 V C 2.164 178.309 176.094 0.086 0.000 1.058 20 V CA 1.286 63.622 62.300 0.061 0.000 1.064 20 V CB -0.385 31.493 31.823 0.092 0.000 0.675 20 V HN 0.217 nan 8.190 nan 0.000 0.461 21 L N 0.743 122.021 121.223 0.092 0.000 2.083 21 L HA -0.175 4.170 4.340 0.008 0.000 0.209 21 L C 2.430 179.337 176.870 0.061 0.000 1.083 21 L CA 2.454 57.352 54.840 0.095 0.000 0.752 21 L CB -0.691 41.478 42.059 0.185 0.000 0.899 21 L HN 0.512 nan 8.230 nan 0.000 0.433 22 E N -0.557 119.670 120.200 0.044 0.000 2.077 22 E HA -0.306 4.048 4.350 0.008 0.000 0.193 22 E C 2.099 178.726 176.600 0.044 0.000 0.989 22 E CA 1.526 57.947 56.400 0.035 0.000 0.800 22 E CB -0.263 29.446 29.700 0.016 0.000 0.746 22 E HN 0.706 nan 8.360 nan 0.000 0.452 23 E N 0.139 120.366 120.200 0.044 0.000 2.031 23 E HA -0.216 4.139 4.350 0.008 0.000 0.193 23 E C 2.313 178.949 176.600 0.060 0.000 0.994 23 E CA 1.032 57.460 56.400 0.046 0.000 0.800 23 E CB 0.068 29.796 29.700 0.047 0.000 0.752 23 E HN 0.180 nan 8.360 nan 0.000 0.447 24 R N 0.135 120.685 120.500 0.083 0.000 2.105 24 R HA -0.144 4.201 4.340 0.008 0.000 0.239 24 R C 2.525 178.883 176.300 0.098 0.000 1.135 24 R CA 0.993 57.156 56.100 0.104 0.000 0.967 24 R CB -0.535 29.855 30.300 0.148 0.000 0.861 24 R HN 0.338 nan 8.270 nan 0.000 0.442 25 L N 0.085 121.365 121.223 0.094 0.000 2.156 25 L HA -0.053 4.292 4.340 0.008 0.000 0.208 25 L C 2.673 179.649 176.870 0.175 0.000 1.095 25 L CA 0.846 55.783 54.840 0.162 0.000 0.770 25 L CB -0.561 41.562 42.059 0.105 0.000 0.914 25 L HN 0.152 nan 8.230 nan 0.000 0.439 26 A N 0.560 123.431 122.820 0.085 0.000 1.877 26 A HA -0.122 4.203 4.320 0.008 0.000 0.216 26 A C 2.358 179.921 177.584 -0.036 0.000 1.186 26 A CA 1.718 53.773 52.037 0.029 0.000 0.620 26 A CB -1.217 17.794 19.000 0.018 0.000 0.822 26 A HN 0.413 nan 8.150 nan 0.000 0.443 27 G N -0.853 107.933 108.800 -0.025 0.000 2.509 27 G HA2 0.010 3.975 3.960 0.008 0.000 0.218 27 G HA3 0.010 3.975 3.960 0.008 0.000 0.218 27 G C 1.358 176.177 174.900 -0.135 0.000 1.124 27 G CA 0.761 45.809 45.100 -0.086 0.000 0.776 27 G HN 0.431 nan 8.290 nan 0.000 0.547 28 L N -0.586 120.613 121.223 -0.040 0.000 2.446 28 L HA 0.285 4.630 4.340 0.008 0.000 0.219 28 L C 1.889 178.606 176.870 -0.255 0.000 1.116 28 L CA 0.672 55.500 54.840 -0.019 0.000 0.844 28 L CB 0.322 42.520 42.059 0.232 0.000 0.970 28 L HN 0.359 nan 8.230 nan 0.000 0.457 29 G N -0.512 108.080 108.800 -0.346 0.000 2.148 29 G HA2 -0.199 3.766 3.960 0.008 0.000 0.157 29 G HA3 -0.199 3.766 3.960 0.008 0.000 0.157 29 G C -0.280 174.151 174.900 -0.781 0.000 1.012 29 G CA -0.752 43.992 45.100 -0.592 0.000 0.677 29 G HN 0.099 nan 8.290 nan 0.000 0.506 30 F N 1.097 121.011 119.950 -0.059 0.000 2.499 30 F HA 0.599 5.131 4.527 0.008 0.000 0.333 30 F C 0.220 176.000 175.800 -0.033 0.000 1.138 30 F CA -1.080 56.896 58.000 -0.040 0.000 0.945 30 F CB 1.905 40.881 39.000 -0.040 0.000 1.181 30 F HN 0.107 nan 8.300 nan 0.000 0.435 31 E N 1.769 122.037 120.200 0.113 0.000 2.227 31 E HA 0.328 4.683 4.350 0.008 0.000 0.282 31 E C -0.441 176.201 176.600 0.069 0.000 1.015 31 E CA -0.519 55.920 56.400 0.065 0.000 0.823 31 E CB 1.216 30.933 29.700 0.029 0.000 1.081 31 E HN 0.621 nan 8.360 nan 0.000 0.396 32 T N 1.935 116.519 114.554 0.050 0.000 2.744 32 T HA 0.163 4.518 4.350 0.008 0.000 0.291 32 T C 0.374 175.088 174.700 0.024 0.000 0.957 32 T CA -0.780 61.341 62.100 0.036 0.000 1.002 32 T CB 1.036 69.920 68.868 0.026 0.000 0.919 32 T HN 0.387 nan 8.240 nan 0.000 0.468 33 D N 3.253 123.665 120.400 0.021 0.000 2.269 33 D HA 0.034 4.679 4.640 0.008 0.000 0.208 33 D C 1.044 177.350 176.300 0.010 0.000 0.963 33 D CA 0.788 54.798 54.000 0.015 0.000 0.864 33 D CB 0.209 41.018 40.800 0.015 0.000 0.936 33 D HN 0.843 nan 8.370 nan 0.000 0.505 34 R N -0.828 119.676 120.500 0.007 0.000 2.833 34 R HA 0.420 4.765 4.340 0.008 0.000 0.259 34 R C -2.091 174.206 176.300 -0.004 0.000 1.047 34 R CA -0.693 55.407 56.100 0.001 0.000 0.916 34 R CB 0.164 30.464 30.300 0.001 0.000 1.259 34 R HN -0.256 nan 8.270 nan 0.000 0.482 35 I N 1.264 121.827 120.570 -0.012 0.000 2.460 35 I HA 0.475 4.650 4.170 0.008 0.000 0.298 35 I C -0.332 175.768 176.117 -0.028 0.000 0.989 35 I CA -0.278 61.009 61.300 -0.023 0.000 1.173 35 I CB 1.951 39.929 38.000 -0.036 0.000 1.338 35 I HN 0.642 nan 8.210 nan 0.000 0.456 36 E N 4.483 124.662 120.200 -0.035 0.000 2.308 36 E HA 0.471 4.826 4.350 0.008 0.000 0.275 36 E C -1.191 175.370 176.600 -0.065 0.000 0.890 36 E CA -0.952 55.422 56.400 -0.043 0.000 0.754 36 E CB 1.874 31.553 29.700 -0.035 0.000 1.207 36 E HN 0.411 nan 8.360 nan 0.000 0.426 37 R N 1.737 122.198 120.500 -0.064 0.000 2.297 37 R HA 0.226 4.571 4.340 0.008 0.000 0.308 37 R C 0.756 176.992 176.300 -0.107 0.000 1.029 37 R CA -0.112 55.943 56.100 -0.075 0.000 0.929 37 R CB 1.145 31.419 30.300 -0.044 0.000 1.046 37 R HN 0.374 nan 8.270 nan 0.000 0.461 38 V N -1.130 118.655 119.914 -0.215 0.000 3.539 38 V HA 0.285 4.410 4.120 0.008 0.000 0.262 38 V C 0.068 176.044 176.094 -0.197 0.000 1.381 38 V CA 0.182 62.295 62.300 -0.311 0.000 1.060 38 V CB 0.212 31.695 31.823 -0.566 0.000 0.842 38 V HN 0.444 nan 8.190 nan 0.000 0.445 39 F N 4.246 124.279 119.950 0.139 0.000 2.532 39 F HA 0.585 5.117 4.527 0.008 0.000 0.313 39 F C -2.488 173.351 175.800 0.064 0.000 1.301 39 F CA -3.702 54.374 58.000 0.128 0.000 1.154 39 F CB 0.313 39.506 39.000 0.320 0.000 1.335 39 F HN 0.093 nan 8.300 nan 0.000 0.542 40 P HA 0.223 nan 4.420 nan 0.000 0.276 40 P C -0.300 177.033 177.300 0.055 0.000 1.253 40 P CA 0.308 63.469 63.100 0.101 0.000 0.766 40 P CB 1.530 33.264 31.700 0.057 0.000 0.845 41 I N 5.907 126.501 120.570 0.040 0.000 2.439 41 I HA 0.293 4.468 4.170 0.008 0.000 0.285 41 I C -2.124 173.992 176.117 -0.002 0.000 1.021 41 I CA -2.714 58.575 61.300 -0.020 0.000 1.091 41 I CB 1.976 39.936 38.000 -0.066 0.000 1.242 41 I HN 0.121 nan 8.210 nan 0.000 0.439 42 P HA 0.153 nan 4.420 nan 0.000 0.271 42 P C 0.539 177.838 177.300 -0.002 0.000 1.233 42 P CA -0.457 62.638 63.100 -0.008 0.000 0.789 42 P CB 0.795 32.483 31.700 -0.021 0.000 0.951 43 R N 0.817 121.320 120.500 0.005 0.000 2.148 43 R HA -0.063 4.282 4.340 0.008 0.000 0.223 43 R C 2.118 178.423 176.300 0.009 0.000 1.088 43 R CA 1.481 57.589 56.100 0.013 0.000 0.985 43 R CB -1.015 29.295 30.300 0.016 0.000 0.880 43 R HN 0.716 nan 8.270 nan 0.000 0.451 44 G N 0.244 109.040 108.800 -0.007 0.000 2.479 44 G HA2 -0.115 3.850 3.960 0.008 0.000 0.220 44 G HA3 -0.115 3.850 3.960 0.008 0.000 0.220 44 G C 0.396 175.285 174.900 -0.018 0.000 1.115 44 G CA 0.332 45.421 45.100 -0.018 0.000 0.757 44 G HN 0.128 nan 8.290 nan 0.000 0.560 45 V N 1.590 121.494 119.914 -0.016 0.000 2.408 45 V HA 0.412 4.537 4.120 0.008 0.000 0.267 45 V C 0.395 176.506 176.094 0.029 0.000 1.047 45 V CA -0.627 61.665 62.300 -0.014 0.000 0.937 45 V CB 0.808 32.606 31.823 -0.042 0.000 0.999 45 V HN 0.257 nan 8.190 nan 0.000 0.472 46 V N 2.967 122.911 119.914 0.050 0.000 3.046 46 V HA 0.682 4.807 4.120 0.008 0.000 0.316 46 V C -0.601 175.587 176.094 0.156 0.000 1.104 46 V CA -1.143 61.222 62.300 0.107 0.000 1.006 46 V CB 1.968 33.852 31.823 0.102 0.000 1.058 46 V HN 0.549 nan 8.190 nan 0.000 0.440 47 F N 2.322 122.320 119.950 0.080 0.000 2.443 47 F HA 0.752 5.284 4.527 0.008 0.000 0.353 47 F C 0.336 176.196 175.800 0.100 0.000 1.101 47 F CA 0.506 58.579 58.000 0.122 0.000 1.226 47 F CB 0.496 39.558 39.000 0.103 0.000 1.140 47 F HN 1.043 nan 8.300 nan 0.000 0.557 48 A N 6.694 129.099 122.820 -0.692 0.000 2.498 48 A HA 0.692 5.017 4.320 0.008 0.000 0.298 48 A C -1.174 176.030 177.584 -0.634 0.000 1.075 48 A CA -1.006 50.768 52.037 -0.439 0.000 0.714 48 A CB 1.457 20.339 19.000 -0.197 0.000 1.299 48 A HN 0.859 nan 8.150 nan 0.000 0.407 49 R N 1.298 121.640 120.500 -0.264 0.000 2.393 49 R HA 0.569 4.914 4.340 0.008 0.000 0.310 49 R C -1.461 174.782 176.300 -0.095 0.000 0.968 49 R CA -0.438 55.575 56.100 -0.145 0.000 0.867 49 R CB 1.364 31.682 30.300 0.030 0.000 1.124 49 R HN 0.481 nan 8.270 nan 0.000 0.450 50 V N 7.580 127.439 119.914 -0.091 0.000 2.370 50 V HA 0.043 4.168 4.120 0.008 0.000 0.257 50 V C 1.360 177.428 176.094 -0.044 0.000 1.064 50 V CA 0.058 62.316 62.300 -0.070 0.000 0.975 50 V CB 0.740 32.515 31.823 -0.080 0.000 1.067 50 V HN 0.857 nan 8.190 nan 0.000 0.485 51 L N 2.550 123.754 121.223 -0.031 0.000 2.109 51 L HA 0.148 4.493 4.340 0.008 0.000 0.207 51 L C 0.948 177.792 176.870 -0.043 0.000 1.086 51 L CA 1.053 55.882 54.840 -0.019 0.000 0.760 51 L CB 0.058 42.117 42.059 -0.000 0.000 0.910 51 L HN 0.658 nan 8.230 nan 0.000 0.437 52 E N -1.159 119.000 120.200 -0.068 0.000 2.388 52 E HA 0.594 4.949 4.350 0.008 0.000 0.281 52 E C -1.771 174.704 176.600 -0.209 0.000 1.046 52 E CA -0.342 55.961 56.400 -0.161 0.000 0.825 52 E CB 1.617 31.198 29.700 -0.200 0.000 1.243 52 E HN 0.021 nan 8.360 nan 0.000 0.438 53 A N 2.998 125.641 122.820 -0.296 0.000 2.318 53 A HA 0.715 5.040 4.320 0.008 0.000 0.317 53 A C -1.402 175.976 177.584 -0.343 0.000 1.159 53 A CA -0.504 51.403 52.037 -0.217 0.000 0.799 53 A CB 0.514 19.440 19.000 -0.124 0.000 1.194 53 A HN 0.651 nan 8.150 nan 0.000 0.479 54 H N 3.274 122.336 119.070 -0.013 0.000 2.860 54 H HA 0.389 4.950 4.556 0.008 0.000 0.312 54 H C -2.537 172.785 175.328 -0.010 0.000 0.995 54 H CA -1.491 54.551 56.048 -0.010 0.000 1.311 54 H CB 1.770 31.527 29.762 -0.009 0.000 1.478 54 H HN 0.491 nan 8.280 nan 0.000 0.508 55 P HA -0.028 nan 4.420 nan 0.000 0.268 55 P C -0.134 177.198 177.300 0.053 0.000 1.204 55 P CA -0.046 63.085 63.100 0.052 0.000 0.768 55 P CB 1.172 32.891 31.700 0.031 0.000 0.842 56 I N 5.387 125.977 120.570 0.033 0.000 2.347 56 I HA 0.106 4.281 4.170 0.008 0.000 0.294 56 I C -1.606 174.519 176.117 0.012 0.000 1.090 56 I CA -2.566 58.746 61.300 0.020 0.000 1.314 56 I CB -0.050 37.958 38.000 0.012 0.000 1.423 56 I HN 0.164 nan 8.210 nan 0.000 0.503 57 P HA -0.004 nan 4.420 nan 0.000 0.258 57 P C 0.858 178.160 177.300 0.003 0.000 1.172 57 P CA 0.831 63.935 63.100 0.006 0.000 0.762 57 P CB 0.660 32.362 31.700 0.003 0.000 0.764 58 G N 1.993 110.795 108.800 0.003 0.000 2.175 58 G HA2 -0.192 3.773 3.960 0.008 0.000 0.244 58 G HA3 -0.192 3.773 3.960 0.008 0.000 0.244 58 G C 0.231 175.132 174.900 0.000 0.000 0.982 58 G CA 0.360 45.461 45.100 0.001 0.000 0.641 58 G HN 0.925 nan 8.290 nan 0.000 0.527 59 T N -2.639 111.916 114.554 0.002 0.000 2.888 59 T HA 0.683 5.038 4.350 0.008 0.000 0.288 59 T C 0.589 175.289 174.700 0.001 0.000 1.063 59 T CA 0.049 62.149 62.100 0.000 0.000 1.010 59 T CB 1.787 70.655 68.868 -0.000 0.000 1.214 59 T HN 0.745 nan 8.240 nan 0.000 0.533 60 R N 0.365 120.864 120.500 -0.002 0.000 2.552 60 R HA 0.518 4.863 4.340 0.008 0.000 0.314 60 R C -0.199 176.098 176.300 -0.004 0.000 1.041 60 R CA -0.281 55.818 56.100 -0.002 0.000 1.076 60 R CB -1.004 29.293 30.300 -0.004 0.000 1.290 60 R HN 0.553 nan 8.270 nan 0.000 0.563 61 L N 0.022 121.244 121.223 -0.002 0.000 2.352 61 L HA 0.567 4.912 4.340 0.008 0.000 0.269 61 L C -0.044 176.829 176.870 0.004 0.000 1.034 61 L CA -1.120 53.718 54.840 -0.003 0.000 0.806 61 L CB 1.680 43.737 42.059 -0.004 0.000 1.244 61 L HN 0.092 nan 8.230 nan 0.000 0.447 62 K N 0.783 121.185 120.400 0.003 0.000 2.375 62 K HA 0.458 4.783 4.320 0.008 0.000 0.249 62 K C -1.007 175.606 176.600 0.023 0.000 0.942 62 K CA -0.851 55.445 56.287 0.014 0.000 0.806 62 K CB 2.728 35.227 32.500 -0.001 0.000 1.227 62 K HN 0.396 nan 8.250 nan 0.000 0.430 63 R N 3.880 124.413 120.500 0.055 0.000 2.215 63 R HA 0.297 4.641 4.340 0.008 0.000 0.336 63 R C -0.972 175.373 176.300 0.075 0.000 0.996 63 R CA -0.401 55.739 56.100 0.066 0.000 0.847 63 R CB 0.259 30.610 30.300 0.085 0.000 1.127 63 R HN 0.512 nan 8.270 nan 0.000 0.465 64 L N 4.852 126.096 121.223 0.035 0.000 2.312 64 L HA 0.385 4.730 4.340 0.008 0.000 0.281 64 L C -0.397 176.493 176.870 0.034 0.000 1.070 64 L CA -1.065 53.783 54.840 0.013 0.000 0.805 64 L CB 1.829 43.876 42.059 -0.019 0.000 1.174 64 L HN 0.372 nan 8.230 nan 0.000 0.434 65 V N 5.376 125.310 119.914 0.033 0.000 2.311 65 V HA 0.358 4.483 4.120 0.008 0.000 0.275 65 V C 0.157 176.255 176.094 0.006 0.000 1.022 65 V CA -0.337 61.987 62.300 0.040 0.000 0.830 65 V CB 1.189 33.059 31.823 0.077 0.000 1.012 65 V HN 0.497 nan 8.190 nan 0.000 0.452 66 L N 3.597 124.821 121.223 0.002 0.000 2.317 66 L HA 0.618 4.962 4.340 0.008 0.000 0.281 66 L C -0.229 176.638 176.870 -0.004 0.000 1.024 66 L CA -0.645 54.185 54.840 -0.015 0.000 0.810 66 L CB 1.743 43.788 42.059 -0.024 0.000 1.240 66 L HN 0.468 nan 8.230 nan 0.000 0.427 67 D N 2.597 122.994 120.400 -0.006 0.000 2.359 67 D HA 0.440 5.085 4.640 0.008 0.000 0.230 67 D C -0.111 176.204 176.300 0.024 0.000 1.118 67 D CA -0.249 53.761 54.000 0.015 0.000 0.844 67 D CB 1.795 42.613 40.800 0.030 0.000 1.059 67 D HN 0.616 nan 8.370 nan 0.000 0.493 68 A N 2.776 125.618 122.820 0.036 0.000 2.674 68 A HA 0.635 4.960 4.320 0.008 0.000 0.286 68 A C 1.172 178.799 177.584 0.072 0.000 0.980 68 A CA 0.258 52.330 52.037 0.059 0.000 1.028 68 A CB -0.125 18.912 19.000 0.061 0.000 1.199 68 A HN 0.867 nan 8.150 nan 0.000 0.499 69 G N 0.774 109.613 108.800 0.065 0.000 2.850 69 G HA2 -0.215 3.750 3.960 0.008 0.000 0.207 69 G HA3 -0.215 3.750 3.960 0.008 0.000 0.207 69 G C 0.321 175.240 174.900 0.031 0.000 1.302 69 G CA -0.025 45.107 45.100 0.054 0.000 0.832 69 G HN 1.154 nan 8.290 nan 0.000 0.543 70 R N 0.452 120.964 120.500 0.019 0.000 2.803 70 R HA 0.714 5.059 4.340 0.008 0.000 0.276 70 R C -0.910 175.381 176.300 -0.016 0.000 0.978 70 R CA -0.415 55.680 56.100 -0.009 0.000 0.939 70 R CB 1.197 31.477 30.300 -0.033 0.000 1.179 70 R HN 0.086 nan 8.270 nan 0.000 0.472 71 T N 2.067 116.604 114.554 -0.028 0.000 2.799 71 T HA 0.284 4.639 4.350 0.008 0.000 0.296 71 T C 0.291 174.955 174.700 -0.059 0.000 0.947 71 T CA -0.430 61.654 62.100 -0.027 0.000 1.141 71 T CB 0.562 69.417 68.868 -0.021 0.000 0.891 71 T HN 0.480 nan 8.240 nan 0.000 0.533 72 V N 1.198 121.093 119.914 -0.032 0.000 3.126 72 V HA 0.795 4.920 4.120 0.008 0.000 0.314 72 V C -0.695 175.408 176.094 0.015 0.000 1.138 72 V CA -1.162 61.115 62.300 -0.039 0.000 1.034 72 V CB 2.300 34.156 31.823 0.056 0.000 1.075 72 V HN 0.780 nan 8.190 nan 0.000 0.442 73 E N 0.245 120.469 120.200 0.041 0.000 2.266 73 E HA 0.781 5.136 4.350 0.008 0.000 0.268 73 E C -1.855 174.797 176.600 0.086 0.000 0.879 73 E CA -0.657 55.774 56.400 0.052 0.000 0.762 73 E CB 2.474 32.192 29.700 0.030 0.000 1.199 73 E HN 0.826 nan 8.360 nan 0.000 0.422 74 V N 3.577 123.524 119.914 0.055 0.000 3.087 74 V HA 0.471 4.596 4.120 0.008 0.000 0.306 74 V C -1.439 174.666 176.094 0.019 0.000 1.187 74 V CA -0.634 61.690 62.300 0.041 0.000 0.999 74 V CB 2.363 34.199 31.823 0.022 0.000 1.049 74 V HN 0.493 nan 8.190 nan 0.000 0.431 75 V N 4.061 123.979 119.914 0.008 0.000 2.435 75 V HA 0.755 4.880 4.120 0.008 0.000 0.290 75 V C 0.029 176.113 176.094 -0.017 0.000 1.030 75 V CA -0.020 62.280 62.300 -0.000 0.000 0.881 75 V CB 1.670 33.493 31.823 0.001 0.000 0.983 75 V HN 0.928 nan 8.190 nan 0.000 0.445 76 S N 2.697 118.386 115.700 -0.020 0.000 2.549 76 S HA 0.712 5.187 4.470 0.008 0.000 0.280 76 S C 0.577 175.160 174.600 -0.028 0.000 1.109 76 S CA 0.159 58.340 58.200 -0.033 0.000 0.905 76 S CB 1.944 65.117 63.200 -0.044 0.000 1.081 76 S HN 0.945 nan 8.310 nan 0.000 0.477 77 G N 1.241 110.020 108.800 -0.035 0.000 3.324 77 G HA2 0.502 4.467 3.960 0.008 0.000 0.251 77 G HA3 0.502 4.467 3.960 0.008 0.000 0.251 77 G C 0.325 175.206 174.900 -0.032 0.000 1.072 77 G CA 0.261 45.343 45.100 -0.029 0.000 0.787 77 G HN 1.020 nan 8.290 nan 0.000 0.537 78 A N 0.705 123.501 122.820 -0.040 0.000 2.450 78 A HA 0.422 4.747 4.320 0.008 0.000 0.255 78 A C 1.370 178.941 177.584 -0.021 0.000 1.096 78 A CA -0.154 51.861 52.037 -0.037 0.000 0.778 78 A CB 0.500 19.470 19.000 -0.051 0.000 1.031 78 A HN 0.236 nan 8.150 nan 0.000 0.494 79 E N 2.188 122.384 120.200 -0.007 0.000 2.153 79 E HA -0.232 4.123 4.350 0.008 0.000 0.194 79 E C 1.416 178.016 176.600 0.000 0.000 0.988 79 E CA 1.852 58.253 56.400 0.001 0.000 0.811 79 E CB -0.183 29.526 29.700 0.015 0.000 0.746 79 E HN 1.006 nan 8.360 nan 0.000 0.466 80 N N 0.459 119.162 118.700 0.004 0.000 2.467 80 N HA 0.079 4.824 4.740 0.008 0.000 0.184 80 N C 0.585 176.080 175.510 -0.025 0.000 1.106 80 N CA 0.268 53.317 53.050 -0.002 0.000 0.892 80 N CB 0.133 38.628 38.487 0.015 0.000 0.969 80 N HN -0.102 nan 8.380 nan 0.000 0.454 81 A N 1.785 124.584 122.820 -0.035 0.000 2.548 81 A HA 0.221 4.546 4.320 0.008 0.000 0.247 81 A C 0.335 177.891 177.584 -0.048 0.000 1.067 81 A CA -0.166 51.841 52.037 -0.051 0.000 0.757 81 A CB -0.085 18.885 19.000 -0.050 0.000 0.996 81 A HN 0.684 nan 8.150 nan 0.000 0.504 82 R N 1.333 121.800 120.500 -0.056 0.000 2.728 82 R HA 0.472 4.817 4.340 0.008 0.000 0.274 82 R C -0.874 175.389 176.300 -0.062 0.000 1.032 82 R CA -1.042 55.025 56.100 -0.056 0.000 0.866 82 R CB 0.802 31.077 30.300 -0.041 0.000 1.263 82 R HN 0.598 nan 8.270 nan 0.000 0.475 83 K N 0.235 120.596 120.400 -0.066 0.000 2.295 83 K HA 0.347 4.672 4.320 0.008 0.000 0.270 83 K C 0.647 177.224 176.600 -0.038 0.000 1.011 83 K CA 1.068 57.318 56.287 -0.062 0.000 0.953 83 K CB 0.526 32.982 32.500 -0.075 0.000 0.956 83 K HN 0.881 nan 8.250 nan 0.000 0.477 84 G N 2.807 111.591 108.800 -0.027 0.000 2.175 84 G HA2 -0.217 3.748 3.960 0.008 0.000 0.244 84 G HA3 -0.217 3.748 3.960 0.008 0.000 0.244 84 G C 0.026 174.931 174.900 0.008 0.000 0.982 84 G CA 0.341 45.438 45.100 -0.005 0.000 0.641 84 G HN 0.778 nan 8.290 nan 0.000 0.527 85 I N -1.724 118.839 120.570 -0.011 0.000 3.023 85 I HA 0.926 5.100 4.170 0.008 0.000 0.312 85 I C 0.589 176.692 176.117 -0.022 0.000 1.056 85 I CA -1.004 60.297 61.300 0.002 0.000 1.033 85 I CB 1.937 39.918 38.000 -0.031 0.000 1.233 85 I HN 0.183 nan 8.210 nan 0.000 0.462 86 G N 1.597 110.416 108.800 0.031 0.000 2.412 86 G HA2 0.649 4.614 3.960 0.008 0.000 0.318 86 G HA3 0.649 4.614 3.960 0.008 0.000 0.318 86 G C -0.605 174.142 174.900 -0.256 0.000 1.146 86 G CA -0.512 44.516 45.100 -0.120 0.000 0.882 86 G HN 1.038 nan 8.290 nan 0.000 0.501 87 V N -2.265 117.390 119.914 -0.431 0.000 3.181 87 V HA 0.889 5.013 4.120 0.008 0.000 0.308 87 V C -0.084 175.852 176.094 -0.263 0.000 1.214 87 V CA -1.151 60.884 62.300 -0.443 0.000 1.053 87 V CB 1.501 33.138 31.823 -0.310 0.000 1.069 87 V HN 1.448 nan 8.190 nan 0.000 0.441 88 A N 2.637 125.324 122.820 -0.221 0.000 2.316 88 A HA 0.687 5.012 4.320 0.008 0.000 0.311 88 A C -0.387 177.149 177.584 -0.080 0.000 1.339 88 A CA -0.346 51.684 52.037 -0.012 0.000 0.960 88 A CB -0.101 18.895 19.000 -0.007 0.000 1.152 88 A HN 1.051 nan 8.150 nan 0.000 0.547 89 L N 3.395 124.586 121.223 -0.054 0.000 2.260 89 L HA 0.542 4.887 4.340 0.008 0.000 0.289 89 L C 0.399 177.241 176.870 -0.047 0.000 1.057 89 L CA -0.391 54.416 54.840 -0.055 0.000 0.811 89 L CB 1.182 43.221 42.059 -0.033 0.000 1.184 89 L HN 0.718 nan 8.230 nan 0.000 0.429 90 A N 7.076 129.852 122.820 -0.073 0.000 2.316 90 A HA 0.455 4.779 4.320 0.008 0.000 0.311 90 A C -0.164 177.349 177.584 -0.118 0.000 1.339 90 A CA -0.542 51.444 52.037 -0.084 0.000 0.960 90 A CB 0.099 19.042 19.000 -0.094 0.000 1.152 90 A HN 0.767 nan 8.150 nan 0.000 0.547 91 L N 3.933 125.087 121.223 -0.116 0.000 2.467 91 L HA 0.239 4.584 4.340 0.008 0.000 0.270 91 L C -1.667 175.030 176.870 -0.289 0.000 1.205 91 L CA -1.626 53.086 54.840 -0.213 0.000 0.828 91 L CB 0.419 42.412 42.059 -0.111 0.000 1.101 91 L HN 0.469 nan 8.230 nan 0.000 0.479 92 P HA -0.002 nan 4.420 nan 0.000 0.265 92 P C 0.635 177.806 177.300 -0.216 0.000 1.193 92 P CA 0.762 63.634 63.100 -0.380 0.000 0.765 92 P CB 0.867 32.240 31.700 -0.545 0.000 0.823 93 G N 1.736 110.451 108.800 -0.142 0.000 2.218 93 G HA2 -0.176 3.788 3.960 0.008 0.000 0.216 93 G HA3 -0.176 3.788 3.960 0.008 0.000 0.216 93 G C 0.228 175.085 174.900 -0.072 0.000 0.994 93 G CA -0.135 44.912 45.100 -0.088 0.000 0.637 93 G HN 0.614 nan 8.290 nan 0.000 0.505 94 T N 2.565 117.068 114.554 -0.085 0.000 2.901 94 T HA 0.445 4.799 4.350 0.008 0.000 0.301 94 T C -0.043 174.622 174.700 -0.058 0.000 1.012 94 T CA 0.137 62.198 62.100 -0.066 0.000 1.135 94 T CB 1.268 70.092 68.868 -0.073 0.000 0.936 94 T HN 0.234 nan 8.240 nan 0.000 0.539 95 E N 3.360 123.533 120.200 -0.045 0.000 2.046 95 E HA 0.269 4.624 4.350 0.008 0.000 0.279 95 E C -0.466 176.109 176.600 -0.042 0.000 0.989 95 E CA -0.224 56.152 56.400 -0.039 0.000 0.798 95 E CB 1.042 30.725 29.700 -0.029 0.000 1.086 95 E HN 0.481 nan 8.360 nan 0.000 0.399 96 L N 4.565 125.759 121.223 -0.048 0.000 2.309 96 L HA 0.245 4.590 4.340 0.008 0.000 0.282 96 L C -1.445 175.399 176.870 -0.044 0.000 1.036 96 L CA -2.025 52.783 54.840 -0.053 0.000 0.806 96 L CB 1.384 43.404 42.059 -0.066 0.000 1.220 96 L HN 0.140 nan 8.230 nan 0.000 0.429 97 P HA -0.159 nan 4.420 nan 0.000 0.213 97 P C 1.463 178.744 177.300 -0.031 0.000 1.170 97 P CA 1.448 64.530 63.100 -0.029 0.000 0.902 97 P CB 0.179 31.866 31.700 -0.021 0.000 0.789 98 G N -0.059 108.716 108.800 -0.040 0.000 2.505 98 G HA2 -0.257 3.708 3.960 0.008 0.000 0.220 98 G HA3 -0.257 3.708 3.960 0.008 0.000 0.220 98 G C 1.327 176.203 174.900 -0.039 0.000 1.145 98 G CA 1.613 46.688 45.100 -0.041 0.000 0.761 98 G HN 0.315 nan 8.290 nan 0.000 0.571 99 L N -1.829 119.368 121.223 -0.044 0.000 2.168 99 L HA 0.528 4.873 4.340 0.008 0.000 0.203 99 L C 2.195 179.045 176.870 -0.034 0.000 1.078 99 L CA 1.321 56.136 54.840 -0.041 0.000 0.780 99 L CB -1.096 40.934 42.059 -0.049 0.000 0.939 99 L HN 0.476 nan 8.230 nan 0.000 0.451 100 G N -0.836 107.944 108.800 -0.033 0.000 2.196 100 G HA2 -0.261 3.704 3.960 0.008 0.000 0.268 100 G HA3 -0.261 3.704 3.960 0.008 0.000 0.268 100 G C 0.213 175.096 174.900 -0.028 0.000 0.975 100 G CA 0.723 45.807 45.100 -0.027 0.000 0.648 100 G HN 0.571 nan 8.290 nan 0.000 0.538 101 Q N 0.493 120.273 119.800 -0.034 0.000 2.462 101 Q HA 0.364 4.709 4.340 0.008 0.000 0.247 101 Q C 0.291 176.266 176.000 -0.042 0.000 1.044 101 Q CA -0.589 55.194 55.803 -0.034 0.000 0.803 101 Q CB 1.345 30.062 28.738 -0.034 0.000 1.190 101 Q HN 0.559 nan 8.270 nan 0.000 0.507 102 K N 1.705 122.081 120.400 -0.040 0.000 2.502 102 K HA -0.091 4.233 4.320 0.008 0.000 0.268 102 K C -0.354 176.211 176.600 -0.059 0.000 1.025 102 K CA 0.104 56.363 56.287 -0.047 0.000 1.139 102 K CB 0.407 32.882 32.500 -0.041 0.000 0.810 102 K HN 0.303 nan 8.250 nan 0.000 0.483 103 V N 3.832 123.702 119.914 -0.073 0.000 2.715 103 V HA 0.327 4.452 4.120 0.008 0.000 0.299 103 V C 1.142 177.169 176.094 -0.111 0.000 1.054 103 V CA 0.625 62.870 62.300 -0.092 0.000 1.077 103 V CB 1.106 32.865 31.823 -0.106 0.000 0.972 103 V HN 0.981 nan 8.190 nan 0.000 0.484 104 G N 2.818 111.549 108.800 -0.116 0.000 2.766 104 G HA2 0.563 4.528 3.960 0.008 0.000 0.288 104 G HA3 0.563 4.528 3.960 0.008 0.000 0.288 104 G C -1.173 173.638 174.900 -0.148 0.000 1.408 104 G CA -0.610 44.412 45.100 -0.130 0.000 0.852 104 G HN 0.679 nan 8.290 nan 0.000 0.487 105 E N -0.295 119.823 120.200 -0.136 0.000 2.229 105 E HA 0.525 4.880 4.350 0.008 0.000 0.283 105 E C 0.191 176.780 176.600 -0.019 0.000 1.030 105 E CA -0.474 55.879 56.400 -0.078 0.000 0.836 105 E CB 0.570 30.278 29.700 0.014 0.000 1.068 105 E HN 0.601 nan 8.360 nan 0.000 0.401 106 R N 1.187 121.684 120.500 -0.004 0.000 2.764 106 R HA 0.499 4.843 4.340 0.008 0.000 0.270 106 R C -1.633 174.673 176.300 0.010 0.000 1.014 106 R CA -0.980 55.120 56.100 -0.000 0.000 0.904 106 R CB 1.122 31.413 30.300 -0.017 0.000 1.236 106 R HN 0.212 nan 8.270 nan 0.000 0.466 107 V N 2.853 122.772 119.914 0.007 0.000 2.406 107 V HA 0.406 4.531 4.120 0.008 0.000 0.272 107 V C -0.050 176.044 176.094 0.001 0.000 1.043 107 V CA -0.268 62.037 62.300 0.008 0.000 0.915 107 V CB 0.820 32.647 31.823 0.007 0.000 0.988 107 V HN 0.534 nan 8.190 nan 0.000 0.466 108 I N 4.469 125.040 120.570 0.002 0.000 2.499 108 I HA 0.363 4.538 4.170 0.008 0.000 0.288 108 I C -0.130 175.986 176.117 -0.001 0.000 1.048 108 I CA -0.785 60.513 61.300 -0.003 0.000 1.062 108 I CB 2.050 40.046 38.000 -0.006 0.000 1.238 108 I HN 0.456 nan 8.210 nan 0.000 0.426 109 Q N 4.452 124.250 119.800 -0.003 0.000 2.395 109 Q HA -0.249 4.096 4.340 0.008 0.000 0.326 109 Q C 1.095 177.094 176.000 -0.002 0.000 1.302 109 Q CA 1.271 57.073 55.803 -0.003 0.000 0.949 109 Q CB -1.391 27.346 28.738 -0.002 0.000 1.204 109 Q HN 1.272 nan 8.270 nan 0.000 0.444 110 G N -2.516 106.283 108.800 -0.002 0.000 2.176 110 G HA2 -0.295 3.670 3.960 0.008 0.000 0.253 110 G HA3 -0.295 3.670 3.960 0.008 0.000 0.253 110 G C 0.120 175.019 174.900 -0.002 0.000 0.979 110 G CA 0.652 45.751 45.100 -0.003 0.000 0.641 110 G HN 1.206 nan 8.290 nan 0.000 0.530 111 V N -1.211 118.705 119.914 0.003 0.000 2.876 111 V HA 0.843 4.968 4.120 0.008 0.000 0.312 111 V C 0.039 176.143 176.094 0.018 0.000 1.085 111 V CA -1.437 60.868 62.300 0.007 0.000 0.945 111 V CB 1.576 33.403 31.823 0.008 0.000 1.017 111 V HN 0.295 nan 8.190 nan 0.000 0.428 112 R N 3.263 123.779 120.500 0.027 0.000 2.248 112 R HA 0.377 4.722 4.340 0.008 0.000 0.337 112 R C 0.089 176.435 176.300 0.076 0.000 1.085 112 R CA 0.062 56.193 56.100 0.050 0.000 0.934 112 R CB 1.064 31.400 30.300 0.059 0.000 1.034 112 R HN 0.782 nan 8.270 nan 0.000 0.465 113 S N 4.011 119.749 115.700 0.063 0.000 2.405 113 S HA 0.091 4.566 4.470 0.008 0.000 0.291 113 S C -0.362 174.300 174.600 0.103 0.000 1.137 113 S CA -0.599 57.640 58.200 0.066 0.000 1.061 113 S CB 0.035 63.246 63.200 0.019 0.000 1.001 113 S HN 0.459 nan 8.310 nan 0.000 0.507 114 F N 6.692 126.631 119.950 -0.019 0.000 2.652 114 F HA 0.481 5.013 4.527 0.008 0.000 0.352 114 F C 1.090 176.876 175.800 -0.023 0.000 1.259 114 F CA 0.823 58.812 58.000 -0.018 0.000 1.249 114 F CB -0.895 38.096 39.000 -0.015 0.000 1.628 114 F HN 0.907 nan 8.300 nan 0.000 0.654 115 G N 4.206 112.862 108.800 -0.240 0.000 2.508 115 G HA2 -0.098 3.867 3.960 0.008 0.000 0.220 115 G HA3 -0.098 3.867 3.960 0.008 0.000 0.220 115 G C -0.806 174.032 174.900 -0.103 0.000 1.287 115 G CA -0.303 44.665 45.100 -0.220 0.000 0.916 115 G HN 1.016 nan 8.290 nan 0.000 0.574 116 M N -2.192 117.353 119.600 -0.093 0.000 2.562 116 M HA 0.789 5.274 4.480 0.008 0.000 0.281 116 M C -0.288 175.963 176.300 -0.082 0.000 1.195 116 M CA -0.427 54.829 55.300 -0.073 0.000 0.888 116 M CB 1.607 34.161 32.600 -0.076 0.000 1.731 116 M HN 2.379 nan 8.290 nan 0.000 0.493 117 A N 2.957 125.727 122.820 -0.084 0.000 2.371 117 A HA 0.784 5.109 4.320 0.008 0.000 0.257 117 A C -0.611 176.901 177.584 -0.120 0.000 1.089 117 A CA -0.500 51.471 52.037 -0.109 0.000 0.794 117 A CB 0.292 19.224 19.000 -0.113 0.000 1.029 117 A HN 0.807 nan 8.150 nan 0.000 0.488 118 L N 1.560 122.697 121.223 -0.144 0.000 2.322 118 L HA 0.574 4.919 4.340 0.008 0.000 0.269 118 L C 0.714 177.486 176.870 -0.164 0.000 1.012 118 L CA -0.659 54.092 54.840 -0.149 0.000 0.815 118 L CB 1.981 43.949 42.059 -0.151 0.000 1.295 118 L HN 0.857 nan 8.230 nan 0.000 0.438 119 S N -0.016 115.592 115.700 -0.153 0.000 2.722 119 S HA 0.489 4.964 4.470 0.008 0.000 0.292 119 S C -2.203 172.311 174.600 -0.143 0.000 1.135 119 S CA -1.376 56.738 58.200 -0.144 0.000 1.003 119 S CB 1.762 64.846 63.200 -0.194 0.000 1.067 119 S HN 0.350 nan 8.310 nan 0.000 0.546 120 P HA -0.102 nan 4.420 nan 0.000 0.216 120 P C 1.640 178.836 177.300 -0.173 0.000 1.150 120 P CA 1.014 64.009 63.100 -0.174 0.000 0.843 120 P CB 0.035 31.749 31.700 0.023 0.000 0.787 121 R N 0.323 120.759 120.500 -0.106 0.000 2.075 121 R HA -0.145 4.199 4.340 0.008 0.000 0.232 121 R C 1.949 178.189 176.300 -0.101 0.000 1.126 121 R CA 1.598 57.646 56.100 -0.086 0.000 0.963 121 R CB -0.335 29.916 30.300 -0.081 0.000 0.858 121 R HN 0.256 nan 8.270 nan 0.000 0.435 122 E N 0.270 120.397 120.200 -0.121 0.000 2.106 122 E HA -0.195 4.160 4.350 0.008 0.000 0.192 122 E C 1.853 178.379 176.600 -0.123 0.000 0.984 122 E CA 0.899 57.231 56.400 -0.113 0.000 0.806 122 E CB -0.078 29.552 29.700 -0.116 0.000 0.750 122 E HN 0.147 nan 8.360 nan 0.000 0.458 123 L N -0.290 120.833 121.223 -0.167 0.000 2.313 123 L HA 0.105 4.450 4.340 0.008 0.000 0.214 123 L C 1.263 178.027 176.870 -0.177 0.000 1.119 123 L CA 1.750 56.468 54.840 -0.203 0.000 0.809 123 L CB 0.023 41.895 42.059 -0.312 0.000 0.933 123 L HN 0.247 nan 8.230 nan 0.000 0.449 124 G N -1.331 107.380 108.800 -0.148 0.000 2.140 124 G HA2 -0.227 3.738 3.960 0.008 0.000 0.211 124 G HA3 -0.227 3.738 3.960 0.008 0.000 0.211 124 G C 0.717 175.602 174.900 -0.026 0.000 1.013 124 G CA 0.654 45.715 45.100 -0.066 0.000 0.705 124 G HN 0.850 nan 8.290 nan 0.000 0.508 125 V N -2.935 116.855 119.914 -0.205 0.000 3.565 125 V HA 0.729 4.854 4.120 0.008 0.000 0.260 125 V C 1.053 177.032 176.094 -0.192 0.000 1.231 125 V CA 1.320 63.475 62.300 -0.242 0.000 1.100 125 V CB 0.644 31.928 31.823 -0.898 0.000 0.807 125 V HN 1.682 nan 8.190 nan 0.000 0.454 126 G N -0.239 108.454 108.800 -0.178 0.000 2.677 126 G HA2 0.536 4.501 3.960 0.008 0.000 0.291 126 G HA3 0.536 4.501 3.960 0.008 0.000 0.291 126 G C -0.569 174.404 174.900 0.122 0.000 1.435 126 G CA -0.091 45.070 45.100 0.101 0.000 0.826 126 G HN 0.064 nan 8.290 nan 0.000 0.491 127 E N -0.651 119.664 120.200 0.191 0.000 2.358 127 E HA 0.023 4.378 4.350 0.008 0.000 0.195 127 E C 0.264 176.959 176.600 0.159 0.000 1.010 127 E CA 0.008 56.492 56.400 0.141 0.000 0.856 127 E CB 0.047 29.829 29.700 0.136 0.000 0.795 127 E HN 0.398 nan 8.360 nan 0.000 0.504 128 Y N 0.875 121.235 120.300 0.100 0.000 2.569 128 Y HA 0.313 4.868 4.550 0.008 0.000 0.332 128 Y C 1.243 177.166 175.900 0.038 0.000 1.120 128 Y CA -0.006 58.144 58.100 0.082 0.000 1.416 128 Y CB 0.741 39.280 38.460 0.131 0.000 1.210 128 Y HN -0.019 nan 8.280 nan 0.000 0.528 129 G N 3.154 111.585 108.800 -0.615 0.000 3.695 129 G HA2 0.122 4.087 3.960 0.008 0.000 0.277 129 G HA3 0.122 4.087 3.960 0.008 0.000 0.277 129 G C 0.984 175.484 174.900 -0.667 0.000 1.001 129 G CA 0.181 44.966 45.100 -0.526 0.000 0.837 129 G HN 0.936 nan 8.290 nan 0.000 0.492 130 G N -0.056 108.004 108.800 -1.235 0.000 3.233 130 G HA2 0.500 4.465 3.960 0.008 0.000 0.227 130 G HA3 0.500 4.465 3.960 0.008 0.000 0.227 130 G C 0.520 175.243 174.900 -0.295 0.000 1.175 130 G CA 0.434 45.184 45.100 -0.584 0.000 0.781 130 G HN 0.754 nan 8.290 nan 0.000 0.542 131 G N -0.833 107.756 108.800 -0.352 0.000 2.523 131 G HA2 0.430 4.395 3.960 0.008 0.000 0.291 131 G HA3 0.430 4.395 3.960 0.008 0.000 0.291 131 G C -0.930 173.954 174.900 -0.027 0.000 1.450 131 G CA -1.028 44.064 45.100 -0.014 0.000 0.790 131 G HN 0.136 nan 8.290 nan 0.000 0.496 132 L N 0.611 121.816 121.223 -0.031 0.000 2.453 132 L HA 0.333 4.678 4.340 0.008 0.000 0.261 132 L C 0.366 177.183 176.870 -0.089 0.000 1.179 132 L CA -0.956 53.828 54.840 -0.093 0.000 0.813 132 L CB 0.575 42.555 42.059 -0.133 0.000 1.110 132 L HN 0.247 nan 8.230 nan 0.000 0.466 133 L N 1.987 123.088 121.223 -0.204 0.000 2.456 133 L HA 0.130 4.475 4.340 0.008 0.000 0.272 133 L C 0.204 176.777 176.870 -0.496 0.000 1.189 133 L CA 0.614 55.286 54.840 -0.280 0.000 0.846 133 L CB 0.440 42.197 42.059 -0.503 0.000 1.111 133 L HN 0.624 nan 8.230 nan 0.000 0.475 134 E N 3.263 123.285 120.200 -0.297 0.000 2.129 134 E HA 0.429 4.784 4.350 0.008 0.000 0.268 134 E C -1.186 175.415 176.600 0.002 0.000 0.900 134 E CA -0.413 55.865 56.400 -0.204 0.000 0.755 134 E CB 1.339 31.015 29.700 -0.041 0.000 1.117 134 E HN 0.196 nan 8.360 nan 0.000 0.410 135 F N 2.063 122.077 119.950 0.107 0.000 2.594 135 F HA 0.476 5.008 4.527 0.008 0.000 0.335 135 F C -2.133 173.760 175.800 0.157 0.000 1.058 135 F CA -3.056 55.049 58.000 0.174 0.000 0.981 135 F CB 0.305 39.514 39.000 0.350 0.000 1.289 135 F HN 0.217 nan 8.300 nan 0.000 0.490 136 P HA 0.081 nan 4.420 nan 0.000 0.271 136 P C 0.611 178.103 177.300 0.320 0.000 1.216 136 P CA 0.060 63.285 63.100 0.208 0.000 0.776 136 P CB 0.605 32.363 31.700 0.097 0.000 0.881 137 E N 2.228 122.568 120.200 0.233 0.000 2.331 137 E HA -0.237 4.118 4.350 0.008 0.000 0.199 137 E C 0.161 176.965 176.600 0.340 0.000 1.008 137 E CA 1.505 58.069 56.400 0.275 0.000 0.843 137 E CB -0.085 29.698 29.700 0.138 0.000 0.761 137 E HN 0.480 nan 8.360 nan 0.000 0.507 138 D N -1.359 119.155 120.400 0.189 0.000 2.440 138 D HA 0.204 4.849 4.640 0.008 0.000 0.216 138 D C 1.409 177.636 176.300 -0.121 0.000 1.150 138 D CA 0.414 54.451 54.000 0.062 0.000 0.832 138 D CB 0.332 41.149 40.800 0.028 0.000 0.992 138 D HN 0.189 nan 8.370 nan 0.000 0.502 139 A N 0.472 123.179 122.820 -0.190 0.000 1.940 139 A HA -0.022 4.302 4.320 0.008 0.000 0.221 139 A C 0.835 178.067 177.584 -0.587 0.000 1.190 139 A CA 1.112 52.923 52.037 -0.376 0.000 0.647 139 A CB -0.349 18.448 19.000 -0.339 0.000 0.821 139 A HN 0.389 nan 8.150 nan 0.000 0.457 140 L N -3.217 117.370 121.223 -1.059 0.000 2.403 140 L HA 0.395 4.740 4.340 0.008 0.000 0.253 140 L C -2.892 173.756 176.870 -0.369 0.000 1.045 140 L CA -2.427 52.004 54.840 -0.682 0.000 0.845 140 L CB 2.080 43.723 42.059 -0.694 0.000 1.447 140 L HN -0.195 nan 8.230 nan 0.000 0.411 141 P HA 0.178 nan 4.420 nan 0.000 0.271 141 P C -2.498 174.881 177.300 0.131 0.000 1.226 141 P CA -1.009 62.097 63.100 0.010 0.000 0.765 141 P CB 0.150 31.852 31.700 0.004 0.000 0.835 142 P HA -0.049 nan 4.420 nan 0.000 0.261 142 P C 1.065 178.479 177.300 0.190 0.000 1.173 142 P CA 1.651 64.916 63.100 0.276 0.000 0.760 142 P CB 0.075 31.881 31.700 0.177 0.000 0.783 143 G N 1.597 110.522 108.800 0.208 0.000 2.199 143 G HA2 -0.236 3.729 3.960 0.008 0.000 0.254 143 G HA3 -0.236 3.729 3.960 0.008 0.000 0.254 143 G C 0.358 175.338 174.900 0.134 0.000 0.982 143 G CA 0.248 45.434 45.100 0.142 0.000 0.632 143 G HN 0.826 nan 8.290 nan 0.000 0.529 144 T N 0.284 114.929 114.554 0.151 0.000 2.901 144 T HA 0.544 4.899 4.350 0.008 0.000 0.301 144 T C -2.147 172.624 174.700 0.117 0.000 1.012 144 T CA -1.109 61.053 62.100 0.103 0.000 1.135 144 T CB 1.614 70.517 68.868 0.059 0.000 0.936 144 T HN 0.081 nan 8.240 nan 0.000 0.539 145 P HA 0.048 nan 4.420 nan 0.000 0.263 145 P C 0.832 178.185 177.300 0.088 0.000 1.195 145 P CA -0.428 62.718 63.100 0.077 0.000 0.762 145 P CB 0.355 32.088 31.700 0.055 0.000 0.799 146 L N 3.984 125.266 121.223 0.097 0.000 2.127 146 L HA -0.208 4.137 4.340 0.008 0.000 0.211 146 L C 1.990 178.928 176.870 0.112 0.000 1.089 146 L CA 1.921 56.824 54.840 0.106 0.000 0.757 146 L CB -1.236 40.863 42.059 0.067 0.000 0.899 146 L HN 0.279 nan 8.230 nan 0.000 0.434 147 S N -0.284 115.469 115.700 0.089 0.000 2.381 147 S HA -0.310 4.165 4.470 0.008 0.000 0.230 147 S C 1.687 176.361 174.600 0.123 0.000 1.052 147 S CA 1.858 60.127 58.200 0.115 0.000 1.068 147 S CB -0.536 62.712 63.200 0.080 0.000 0.918 147 S HN 0.592 nan 8.310 nan 0.000 0.448 148 E N 0.616 120.866 120.200 0.084 0.000 2.448 148 E HA -0.058 4.297 4.350 0.008 0.000 0.203 148 E C 1.376 178.006 176.600 0.050 0.000 1.046 148 E CA 0.833 57.268 56.400 0.059 0.000 0.871 148 E CB -0.103 29.619 29.700 0.037 0.000 0.790 148 E HN 0.572 nan 8.360 nan 0.000 0.545 149 A N -0.621 122.246 122.820 0.078 0.000 2.600 149 A HA 0.089 4.414 4.320 0.008 0.000 0.252 149 A C -0.193 177.455 177.584 0.107 0.000 1.200 149 A CA -0.469 51.594 52.037 0.044 0.000 0.981 149 A CB 0.520 19.508 19.000 -0.020 0.000 1.207 149 A HN 0.307 nan 8.150 nan 0.000 0.577 150 W N 2.848 124.132 121.300 -0.027 0.000 1.949 150 W HA 0.344 5.009 4.660 0.008 0.000 0.299 150 W C -3.292 173.269 176.519 0.070 0.000 0.959 150 W CA -2.420 54.922 57.345 -0.005 0.000 1.665 150 W CB 1.240 30.653 29.460 -0.078 0.000 1.829 150 W HN 0.087 nan 8.180 nan 0.000 0.375 151 P HA 0.094 nan 4.420 nan 0.000 0.274 151 P C 0.102 177.625 177.300 0.371 0.000 1.237 151 P CA 0.381 63.640 63.100 0.266 0.000 0.793 151 P CB 1.615 33.411 31.700 0.160 0.000 0.977 152 E N 0.331 120.701 120.200 0.285 0.000 2.422 152 E HA 0.104 4.458 4.350 0.008 0.000 0.260 152 E C 0.052 176.763 176.600 0.186 0.000 1.108 152 E CA 0.202 56.759 56.400 0.262 0.000 0.943 152 E CB 0.343 30.128 29.700 0.141 0.000 0.961 152 E HN 0.465 nan 8.360 nan 0.000 0.443 153 E N 0.550 120.782 120.200 0.053 0.000 2.369 153 E HA 0.366 4.721 4.350 0.008 0.000 0.270 153 E C -1.834 174.733 176.600 -0.056 0.000 0.909 153 E CA -0.790 55.623 56.400 0.021 0.000 0.775 153 E CB 1.748 31.450 29.700 0.003 0.000 1.270 153 E HN 0.176 nan 8.360 nan 0.000 0.445 154 V N 3.260 123.186 119.914 0.020 0.000 2.384 154 V HA 0.481 4.606 4.120 0.008 0.000 0.287 154 V C -0.723 175.391 176.094 0.032 0.000 1.020 154 V CA -0.795 61.491 62.300 -0.022 0.000 0.850 154 V CB 1.526 33.295 31.823 -0.090 0.000 0.987 154 V HN 0.578 nan 8.190 nan 0.000 0.436 155 V N 6.330 126.238 119.914 -0.010 0.000 2.495 155 V HA 0.494 4.619 4.120 0.008 0.000 0.298 155 V C -0.431 175.669 176.094 0.010 0.000 1.031 155 V CA -0.661 61.650 62.300 0.018 0.000 0.871 155 V CB 1.707 33.530 31.823 -0.000 0.000 0.988 155 V HN 0.589 nan 8.190 nan 0.000 0.432 156 L N 3.769 125.004 121.223 0.021 0.000 2.289 156 L HA 0.459 4.804 4.340 0.008 0.000 0.285 156 L C 0.344 177.213 176.870 -0.001 0.000 1.049 156 L CA 0.147 54.992 54.840 0.008 0.000 0.804 156 L CB 1.040 43.107 42.059 0.013 0.000 1.195 156 L HN 0.554 nan 8.230 nan 0.000 0.428 157 D N 4.023 124.424 120.400 0.002 0.000 2.441 157 D HA 0.163 4.808 4.640 0.008 0.000 0.221 157 D C -0.745 175.560 176.300 0.008 0.000 1.156 157 D CA -0.098 53.904 54.000 0.003 0.000 0.896 157 D CB 0.529 41.333 40.800 0.007 0.000 1.028 157 D HN 0.320 nan 8.370 nan 0.000 0.509 158 L N 2.918 124.141 121.223 0.000 0.000 2.312 158 L HA 0.278 4.623 4.340 0.008 0.000 0.281 158 L C 0.496 177.396 176.870 0.050 0.000 1.070 158 L CA -0.545 54.306 54.840 0.020 0.000 0.805 158 L CB 1.660 43.702 42.059 -0.028 0.000 1.174 158 L HN 0.365 nan 8.230 nan 0.000 0.434 159 E N 3.113 123.370 120.200 0.095 0.000 2.200 159 E HA 0.318 4.673 4.350 0.008 0.000 0.283 159 E C -1.492 175.227 176.600 0.199 0.000 1.015 159 E CA -0.575 55.889 56.400 0.107 0.000 0.819 159 E CB 1.388 31.136 29.700 0.080 0.000 1.081 159 E HN 0.333 nan 8.360 nan 0.000 0.397 160 V N 5.437 125.457 119.914 0.177 0.000 2.305 160 V HA 0.138 4.263 4.120 0.008 0.000 0.275 160 V C 0.216 176.403 176.094 0.155 0.000 1.020 160 V CA -0.781 61.665 62.300 0.244 0.000 0.811 160 V CB 0.864 32.789 31.823 0.169 0.000 1.031 160 V HN 0.884 nan 8.190 nan 0.000 0.439 161 T N 3.051 117.666 114.554 0.101 0.000 2.903 161 T HA 0.132 4.487 4.350 0.008 0.000 0.314 161 T C -1.461 173.264 174.700 0.043 0.000 1.078 161 T CA -0.970 61.155 62.100 0.041 0.000 1.114 161 T CB 0.697 69.549 68.868 -0.027 0.000 0.987 161 T HN 0.396 nan 8.240 nan 0.000 0.548 162 P HA -0.160 nan 4.420 nan 0.000 0.219 162 P C 1.415 178.720 177.300 0.008 0.000 1.144 162 P CA 0.968 64.077 63.100 0.015 0.000 0.806 162 P CB -0.097 31.615 31.700 0.019 0.000 0.771 163 N N -1.210 117.494 118.700 0.008 0.000 2.457 163 N HA -0.077 4.668 4.740 0.008 0.000 0.180 163 N C 0.685 176.206 175.510 0.019 0.000 1.050 163 N CA 0.760 53.813 53.050 0.006 0.000 0.906 163 N CB -0.296 38.187 38.487 -0.007 0.000 0.968 163 N HN 0.011 nan 8.380 nan 0.000 0.445 164 R N 1.363 121.889 120.500 0.044 0.000 3.472 164 R HA 0.278 4.623 4.340 0.008 0.000 0.322 164 R C -1.643 174.703 176.300 0.077 0.000 1.330 164 R CA -1.898 54.260 56.100 0.096 0.000 1.387 164 R CB 0.352 30.780 30.300 0.213 0.000 1.446 164 R HN 0.275 nan 8.270 nan 0.000 0.628 165 P HA -0.163 nan 4.420 nan 0.000 0.222 165 P C 0.549 177.833 177.300 -0.027 0.000 1.147 165 P CA 1.070 64.155 63.100 -0.025 0.000 0.790 165 P CB 0.297 31.973 31.700 -0.041 0.000 0.780 166 D N 0.703 121.113 120.400 0.017 0.000 2.264 166 D HA -0.102 4.542 4.640 0.008 0.000 0.208 166 D C 1.590 177.855 176.300 -0.059 0.000 0.966 166 D CA 0.893 54.898 54.000 0.009 0.000 0.864 166 D CB -0.717 40.170 40.800 0.146 0.000 0.933 166 D HN 0.142 nan 8.370 nan 0.000 0.499 167 A N 0.371 123.173 122.820 -0.029 0.000 2.238 167 A HA 0.177 4.501 4.320 0.008 0.000 0.208 167 A C 2.070 179.557 177.584 -0.162 0.000 1.177 167 A CA -0.165 51.798 52.037 -0.123 0.000 0.804 167 A CB -0.590 18.380 19.000 -0.050 0.000 0.823 167 A HN 0.250 nan 8.150 nan 0.000 0.482 168 L N -0.090 121.061 121.223 -0.121 0.000 2.645 168 L HA 0.196 4.541 4.340 0.008 0.000 0.234 168 L C 0.910 177.669 176.870 -0.184 0.000 1.165 168 L CA 0.031 54.796 54.840 -0.126 0.000 0.944 168 L CB 0.001 41.998 42.059 -0.103 0.000 1.149 168 L HN 0.415 nan 8.230 nan 0.000 0.446 169 G N -1.174 107.487 108.800 -0.232 0.000 2.666 169 G HA2 0.382 4.347 3.960 0.008 0.000 0.303 169 G HA3 0.382 4.347 3.960 0.008 0.000 0.303 169 G C 0.205 174.881 174.900 -0.373 0.000 1.412 169 G CA -0.537 44.388 45.100 -0.291 0.000 0.979 169 G HN -0.200 nan 8.290 nan 0.000 0.507 170 L N 1.992 122.933 121.223 -0.469 0.000 2.129 170 L HA -0.040 4.305 4.340 0.008 0.000 0.212 170 L C 2.731 179.277 176.870 -0.540 0.000 1.087 170 L CA 1.241 55.775 54.840 -0.511 0.000 0.757 170 L CB -0.547 41.123 42.059 -0.649 0.000 0.896 170 L HN 0.626 nan 8.230 nan 0.000 0.434 171 L N -1.415 119.400 121.223 -0.680 0.000 2.217 171 L HA -0.090 4.255 4.340 0.008 0.000 0.211 171 L C 2.275 178.882 176.870 -0.438 0.000 1.107 171 L CA 1.052 55.465 54.840 -0.712 0.000 0.783 171 L CB -0.579 41.067 42.059 -0.689 0.000 0.919 171 L HN 0.393 nan 8.230 nan 0.000 0.442 172 G N -0.207 108.368 108.800 -0.375 0.000 2.402 172 G HA2 -0.258 3.707 3.960 0.008 0.000 0.216 172 G HA3 -0.258 3.707 3.960 0.008 0.000 0.216 172 G C 1.441 176.200 174.900 -0.236 0.000 1.162 172 G CA 0.291 45.220 45.100 -0.285 0.000 0.777 172 G HN 0.181 nan 8.290 nan 0.000 0.539 173 L N 1.358 122.399 121.223 -0.303 0.000 2.046 173 L HA 0.136 4.480 4.340 0.008 0.000 0.208 173 L C 3.232 179.971 176.870 -0.218 0.000 1.077 173 L CA 1.570 56.215 54.840 -0.326 0.000 0.747 173 L CB -0.965 40.856 42.059 -0.397 0.000 0.896 173 L HN 0.284 nan 8.230 nan 0.000 0.432 174 A N -0.944 121.746 122.820 -0.217 0.000 1.908 174 A HA -0.272 4.053 4.320 0.008 0.000 0.218 174 A C 2.535 180.084 177.584 -0.059 0.000 1.181 174 A CA 1.905 53.861 52.037 -0.135 0.000 0.627 174 A CB -0.563 18.351 19.000 -0.145 0.000 0.818 174 A HN 0.378 nan 8.150 nan 0.000 0.445 175 R N -0.749 119.701 120.500 -0.083 0.000 2.096 175 R HA -0.154 4.190 4.340 0.008 0.000 0.235 175 R C 1.525 177.885 176.300 0.100 0.000 1.127 175 R CA 1.640 57.748 56.100 0.013 0.000 0.968 175 R CB -0.277 30.002 30.300 -0.036 0.000 0.861 175 R HN 0.497 nan 8.270 nan 0.000 0.440 176 D N 0.220 120.649 120.400 0.049 0.000 2.117 176 D HA -0.133 4.512 4.640 0.008 0.000 0.197 176 D C 1.819 178.180 176.300 0.101 0.000 0.987 176 D CA 1.001 55.053 54.000 0.086 0.000 0.829 176 D CB -0.028 40.836 40.800 0.106 0.000 0.961 176 D HN 0.175 nan 8.370 nan 0.000 0.460 177 L N -0.132 121.135 121.223 0.074 0.000 2.131 177 L HA -0.173 4.172 4.340 0.008 0.000 0.210 177 L C 2.443 179.479 176.870 0.277 0.000 1.092 177 L CA 1.056 55.971 54.840 0.126 0.000 0.759 177 L CB -0.483 41.514 42.059 -0.103 0.000 0.903 177 L HN 0.296 nan 8.230 nan 0.000 0.435 178 H N 0.432 119.566 119.070 0.106 0.000 2.321 178 H HA -0.192 4.369 4.556 0.008 0.000 0.300 178 H C 2.145 177.523 175.328 0.084 0.000 1.087 178 H CA 1.504 57.618 56.048 0.109 0.000 1.319 178 H CB 0.320 30.111 29.762 0.048 0.000 1.379 178 H HN 0.339 nan 8.280 nan 0.000 0.501 179 A N 1.047 123.862 122.820 -0.008 0.000 2.032 179 A HA -0.154 4.171 4.320 0.008 0.000 0.221 179 A C 2.346 179.877 177.584 -0.088 0.000 1.165 179 A CA 1.244 53.229 52.037 -0.086 0.000 0.645 179 A CB -0.595 18.405 19.000 -0.000 0.000 0.807 179 A HN 0.374 nan 8.150 nan 0.000 0.453 180 L N -1.937 119.283 121.223 -0.005 0.000 2.376 180 L HA 0.155 4.499 4.340 0.008 0.000 0.219 180 L C 1.888 178.695 176.870 -0.106 0.000 1.133 180 L CA 1.619 56.454 54.840 -0.009 0.000 0.816 180 L CB -0.372 41.757 42.059 0.117 0.000 0.933 180 L HN 0.654 nan 8.230 nan 0.000 0.449 181 G N -3.603 105.118 108.800 -0.131 0.000 2.318 181 G HA2 -0.226 3.739 3.960 0.008 0.000 0.172 181 G HA3 -0.226 3.739 3.960 0.008 0.000 0.172 181 G C 0.092 174.903 174.900 -0.149 0.000 1.002 181 G CA -0.455 44.529 45.100 -0.193 0.000 0.697 181 G HN 0.169 nan 8.290 nan 0.000 0.483 182 Y N 1.747 122.028 120.300 -0.032 0.000 2.397 182 Y HA 0.504 5.059 4.550 0.008 0.000 0.335 182 Y C 1.204 177.177 175.900 0.121 0.000 1.213 182 Y CA 0.367 58.488 58.100 0.035 0.000 1.391 182 Y CB 0.877 39.366 38.460 0.048 0.000 1.293 182 Y HN 0.396 nan 8.280 nan 0.000 0.557 183 A N 4.195 127.183 122.820 0.280 0.000 2.425 183 A HA 0.375 4.700 4.320 0.008 0.000 0.249 183 A C -0.694 177.023 177.584 0.221 0.000 1.084 183 A CA -0.462 51.717 52.037 0.236 0.000 0.781 183 A CB 0.117 19.196 19.000 0.133 0.000 1.019 183 A HN 0.800 nan 8.150 nan 0.000 0.490 184 L N 3.187 124.492 121.223 0.136 0.000 2.322 184 L HA 0.565 4.910 4.340 0.008 0.000 0.281 184 L C -1.216 175.635 176.870 -0.032 0.000 1.014 184 L CA -0.691 54.132 54.840 -0.029 0.000 0.815 184 L CB 1.787 43.617 42.059 -0.382 0.000 1.247 184 L HN 0.440 nan 8.230 nan 0.000 0.421 185 V N 4.649 124.571 119.914 0.014 0.000 2.304 185 V HA 0.309 4.434 4.120 0.008 0.000 0.278 185 V C -0.159 175.981 176.094 0.077 0.000 1.018 185 V CA -0.680 61.634 62.300 0.023 0.000 0.814 185 V CB 1.404 33.233 31.823 0.010 0.000 1.021 185 V HN 0.734 nan 8.190 nan 0.000 0.440 186 E N 6.266 126.480 120.200 0.023 0.000 2.283 186 E HA 0.334 4.689 4.350 0.008 0.000 0.278 186 E C -2.198 174.439 176.600 0.061 0.000 1.027 186 E CA -1.652 54.768 56.400 0.034 0.000 0.843 186 E CB 1.229 30.907 29.700 -0.037 0.000 1.062 186 E HN 0.500 nan 8.360 nan 0.000 0.401 187 P HA -0.019 nan 4.420 nan 0.000 0.271 187 P C -1.029 176.297 177.300 0.043 0.000 1.226 187 P CA -0.054 63.102 63.100 0.093 0.000 0.765 187 P CB 0.448 32.254 31.700 0.176 0.000 0.835 188 E N 2.049 122.259 120.200 0.017 0.000 2.259 188 E HA 0.470 4.825 4.350 0.008 0.000 0.281 188 E C -0.502 176.104 176.600 0.009 0.000 1.037 188 E CA -1.084 55.320 56.400 0.006 0.000 0.854 188 E CB 0.769 30.464 29.700 -0.008 0.000 1.051 188 E HN 0.369 nan 8.360 nan 0.000 0.409 189 A N 3.610 126.438 122.820 0.013 0.000 2.798 189 A HA 0.491 4.815 4.320 0.008 0.000 0.316 189 A C 0.213 177.799 177.584 0.004 0.000 1.506 189 A CA -0.438 51.607 52.037 0.015 0.000 1.162 189 A CB -0.104 18.908 19.000 0.021 0.000 1.138 189 A HN 0.743 nan 8.150 nan 0.000 0.532 190 A N 3.235 126.053 122.820 -0.004 0.000 2.410 190 A HA 0.540 4.865 4.320 0.008 0.000 0.292 190 A C -0.125 177.452 177.584 -0.012 0.000 1.232 190 A CA 0.039 52.070 52.037 -0.010 0.000 0.893 190 A CB -0.178 18.812 19.000 -0.018 0.000 1.131 190 A HN 0.854 nan 8.150 nan 0.000 0.530 191 L N 2.757 123.974 121.223 -0.009 0.000 2.346 191 L HA 0.499 4.844 4.340 0.008 0.000 0.276 191 L C 0.266 177.127 176.870 -0.014 0.000 1.006 191 L CA -0.579 54.253 54.840 -0.013 0.000 0.817 191 L CB 1.907 43.963 42.059 -0.005 0.000 1.272 191 L HN 0.739 nan 8.230 nan 0.000 0.421 192 K N 4.385 124.770 120.400 -0.024 0.000 2.533 192 K HA 0.513 4.838 4.320 0.008 0.000 0.207 192 K C -0.667 175.919 176.600 -0.023 0.000 1.052 192 K CA -0.377 55.896 56.287 -0.022 0.000 1.030 192 K CB 0.983 33.465 32.500 -0.031 0.000 1.522 192 K HN 0.670 nan 8.250 nan 0.000 0.543 193 A N 2.793 125.610 122.820 -0.005 0.000 2.287 193 A HA 0.364 4.689 4.320 0.008 0.000 0.273 193 A C -0.604 176.998 177.584 0.030 0.000 1.091 193 A CA -0.480 51.563 52.037 0.011 0.000 0.817 193 A CB 0.412 19.429 19.000 0.028 0.000 1.069 193 A HN 0.754 nan 8.150 nan 0.000 0.492 194 E N 0.233 120.470 120.200 0.063 0.000 2.266 194 E HA 0.592 4.947 4.350 0.008 0.000 0.268 194 E C -0.824 175.835 176.600 0.097 0.000 0.879 194 E CA -1.004 55.445 56.400 0.081 0.000 0.762 194 E CB 1.897 31.662 29.700 0.108 0.000 1.199 194 E HN 0.675 nan 8.360 nan 0.000 0.422 195 A N 4.367 127.230 122.820 0.072 0.000 2.347 195 A HA 0.572 4.897 4.320 0.008 0.000 0.287 195 A C -0.042 177.580 177.584 0.062 0.000 1.199 195 A CA -0.381 51.693 52.037 0.062 0.000 0.851 195 A CB -0.369 18.655 19.000 0.040 0.000 1.118 195 A HN 0.625 nan 8.150 nan 0.000 0.525 196 L N 0.706 121.969 121.223 0.066 0.000 2.794 196 L HA 0.708 5.053 4.340 0.008 0.000 0.261 196 L C -2.979 173.898 176.870 0.012 0.000 0.989 196 L CA -1.896 52.968 54.840 0.040 0.000 0.900 196 L CB 1.681 43.773 42.059 0.056 0.000 1.473 196 L HN 0.435 nan 8.230 nan 0.000 0.414 197 P HA 0.282 nan 4.420 nan 0.000 0.271 197 P C -0.811 176.355 177.300 -0.223 0.000 1.218 197 P CA -0.286 62.746 63.100 -0.115 0.000 0.780 197 P CB 1.146 32.776 31.700 -0.116 0.000 0.901 198 L N 4.842 125.849 121.223 -0.360 0.000 2.360 198 L HA 0.170 4.515 4.340 0.008 0.000 0.276 198 L C -1.167 175.245 176.870 -0.764 0.000 1.121 198 L CA -1.623 52.764 54.840 -0.755 0.000 0.845 198 L CB 0.629 42.111 42.059 -0.962 0.000 1.143 198 L HN 0.276 nan 8.230 nan 0.000 0.452 199 P HA 0.044 nan 4.420 nan 0.000 0.269 199 P C -0.863 176.360 177.300 -0.130 0.000 1.601 199 P CA 0.286 63.177 63.100 -0.348 0.000 0.831 199 P CB -0.531 31.011 31.700 -0.264 0.000 1.688 200 F N -3.132 116.665 119.950 -0.255 0.000 2.770 200 F HA 0.744 5.275 4.527 0.008 0.000 0.313 200 F C -1.782 173.931 175.800 -0.146 0.000 1.154 200 F CA -1.774 56.094 58.000 -0.220 0.000 0.923 200 F CB 0.363 39.223 39.000 -0.233 0.000 1.301 200 F HN -0.074 nan 8.300 nan 0.000 0.449 201 A N 1.360 124.222 122.820 0.070 0.000 2.350 201 A HA 0.886 5.211 4.320 0.008 0.000 0.318 201 A C -2.008 175.732 177.584 0.260 0.000 1.132 201 A CA -0.915 51.193 52.037 0.117 0.000 0.811 201 A CB 1.721 20.843 19.000 0.204 0.000 1.313 201 A HN 1.292 nan 8.150 nan 0.000 0.454 202 L N 0.349 121.724 121.223 0.253 0.000 2.341 202 L HA 0.736 5.081 4.340 0.008 0.000 0.278 202 L C -0.399 176.592 176.870 0.203 0.000 1.005 202 L CA -0.199 54.794 54.840 0.254 0.000 0.818 202 L CB 1.536 43.738 42.059 0.238 0.000 1.259 202 L HN 0.658 nan 8.230 nan 0.000 0.418 203 K N 4.604 125.100 120.400 0.161 0.000 2.664 203 K HA 0.472 4.797 4.320 0.008 0.000 0.234 203 K C -1.762 174.791 176.600 -0.077 0.000 0.980 203 K CA -0.562 55.739 56.287 0.024 0.000 0.996 203 K CB 1.333 33.786 32.500 -0.078 0.000 1.190 203 K HN 0.513 nan 8.250 nan 0.000 0.479 204 V N 4.763 124.619 119.914 -0.097 0.000 2.338 204 V HA 0.084 4.209 4.120 0.008 0.000 0.255 204 V C 0.807 176.840 176.094 -0.102 0.000 1.082 204 V CA -0.016 62.195 62.300 -0.149 0.000 0.951 204 V CB 0.749 32.496 31.823 -0.126 0.000 1.102 204 V HN 0.839 nan 8.190 nan 0.000 0.489 205 E N 1.948 122.080 120.200 -0.113 0.000 2.427 205 E HA -0.039 4.316 4.350 0.008 0.000 0.196 205 E C 0.564 177.126 176.600 -0.063 0.000 1.028 205 E CA 0.409 56.753 56.400 -0.093 0.000 0.864 205 E CB 0.346 29.980 29.700 -0.110 0.000 0.813 205 E HN 0.647 nan 8.360 nan 0.000 0.514 206 D N -0.171 120.195 120.400 -0.055 0.000 2.468 206 D HA 0.062 4.707 4.640 0.008 0.000 0.272 206 D C -2.015 174.285 176.300 0.000 0.000 1.221 206 D CA -1.778 52.208 54.000 -0.024 0.000 0.860 206 D CB 0.992 41.782 40.800 -0.018 0.000 1.190 206 D HN -0.096 nan 8.370 nan 0.000 0.509 207 P HA -0.116 nan 4.420 nan 0.000 0.225 207 P C 1.122 178.449 177.300 0.045 0.000 1.148 207 P CA 0.645 63.762 63.100 0.028 0.000 0.779 207 P CB 0.912 32.625 31.700 0.022 0.000 0.780 208 E N 0.628 120.850 120.200 0.037 0.000 2.031 208 E HA -0.099 4.256 4.350 0.008 0.000 0.193 208 E C 2.367 179.007 176.600 0.067 0.000 0.994 208 E CA 1.917 58.343 56.400 0.044 0.000 0.800 208 E CB -1.230 28.490 29.700 0.033 0.000 0.752 208 E HN 0.225 nan 8.360 nan 0.000 0.447 209 G N -0.897 107.947 108.800 0.073 0.000 2.484 209 G HA2 0.022 3.987 3.960 0.008 0.000 0.218 209 G HA3 0.022 3.987 3.960 0.008 0.000 0.218 209 G C 0.478 175.511 174.900 0.221 0.000 1.130 209 G CA 0.547 45.716 45.100 0.115 0.000 0.784 209 G HN 0.333 nan 8.290 nan 0.000 0.543 210 A N 0.306 123.234 122.820 0.179 0.000 3.105 210 A HA 0.673 4.998 4.320 0.008 0.000 0.336 210 A C -1.526 176.129 177.584 0.117 0.000 1.042 210 A CA -0.938 51.214 52.037 0.191 0.000 0.851 210 A CB 1.153 20.280 19.000 0.212 0.000 1.068 210 A HN 0.010 nan 8.150 nan 0.000 0.477 211 P HA -0.130 nan 4.420 nan 0.000 0.219 211 P C 0.105 177.509 177.300 0.174 0.000 1.146 211 P CA 1.689 64.853 63.100 0.108 0.000 0.808 211 P CB 0.077 31.831 31.700 0.089 0.000 0.779 212 H N -2.041 117.046 119.070 0.028 0.000 3.017 212 H HA 0.524 5.085 4.556 0.008 0.000 0.340 212 H C -1.997 173.365 175.328 0.057 0.000 1.014 212 H CA -1.263 54.809 56.048 0.040 0.000 1.341 212 H CB 0.125 29.892 29.762 0.010 0.000 1.739 212 H HN -0.238 nan 8.280 nan 0.000 0.506 213 F N 4.479 124.290 119.950 -0.232 0.000 2.557 213 F HA 0.523 5.055 4.527 0.008 0.000 0.316 213 F C -0.961 174.717 175.800 -0.203 0.000 1.141 213 F CA -0.201 57.656 58.000 -0.237 0.000 0.922 213 F CB 1.755 40.698 39.000 -0.095 0.000 1.194 213 F HN 0.586 nan 8.300 nan 0.000 0.443 214 T N 4.323 118.591 114.554 -0.478 0.000 2.907 214 T HA 0.797 5.152 4.350 0.008 0.000 0.292 214 T C -1.308 173.274 174.700 -0.197 0.000 1.043 214 T CA -0.851 61.119 62.100 -0.217 0.000 1.003 214 T CB 1.917 70.659 68.868 -0.210 0.000 1.084 214 T HN 0.605 nan 8.240 nan 0.000 0.483 215 L N 1.563 122.821 121.223 0.058 0.000 2.409 215 L HA 0.703 5.048 4.340 0.008 0.000 0.272 215 L C 0.578 177.583 176.870 0.226 0.000 0.980 215 L CA -1.004 53.943 54.840 0.178 0.000 0.826 215 L CB 2.097 44.401 42.059 0.409 0.000 1.268 215 L HN 1.049 nan 8.230 nan 0.000 0.407 216 G N 1.005 109.934 108.800 0.215 0.000 2.434 216 G HA2 0.461 4.426 3.960 0.008 0.000 0.330 216 G HA3 0.461 4.426 3.960 0.008 0.000 0.330 216 G C -2.049 173.100 174.900 0.414 0.000 1.155 216 G CA -0.199 45.043 45.100 0.238 0.000 0.917 216 G HN 0.430 nan 8.290 nan 0.000 0.493 217 Y N 0.804 121.253 120.300 0.247 0.000 2.326 217 Y HA 0.656 5.211 4.550 0.008 0.000 0.329 217 Y C -0.420 175.650 175.900 0.284 0.000 0.973 217 Y CA -1.763 56.536 58.100 0.331 0.000 1.162 217 Y CB 1.327 39.986 38.460 0.333 0.000 1.147 217 Y HN 0.754 nan 8.280 nan 0.000 0.456 218 A N 7.305 130.101 122.820 -0.039 0.000 2.356 218 A HA 0.815 5.140 4.320 0.008 0.000 0.310 218 A C -1.668 175.820 177.584 -0.161 0.000 1.075 218 A CA -0.474 51.442 52.037 -0.202 0.000 0.746 218 A CB 0.510 19.454 19.000 -0.094 0.000 1.221 218 A HN 0.758 nan 8.150 nan 0.000 0.443 219 F N -0.561 119.153 119.950 -0.394 0.000 2.706 219 F HA 0.815 5.347 4.527 0.008 0.000 0.328 219 F C 0.896 176.627 175.800 -0.116 0.000 1.123 219 F CA -1.016 56.861 58.000 -0.205 0.000 0.978 219 F CB 0.795 39.677 39.000 -0.197 0.000 1.404 219 F HN 1.438 nan 8.300 nan 0.000 0.497 220 G N 0.924 109.762 108.800 0.063 0.000 2.198 220 G HA2 -0.250 3.715 3.960 0.008 0.000 0.260 220 G HA3 -0.250 3.715 3.960 0.008 0.000 0.260 220 G C -0.371 174.476 174.900 -0.088 0.000 1.025 220 G CA 0.184 45.263 45.100 -0.036 0.000 0.769 220 G HN 0.753 nan 8.290 nan 0.000 0.507 221 L N -0.874 120.319 121.223 -0.051 0.000 2.461 221 L HA 0.484 4.828 4.340 0.008 0.000 0.272 221 L C 1.128 177.979 176.870 -0.032 0.000 1.197 221 L CA -0.412 54.396 54.840 -0.054 0.000 0.836 221 L CB 0.812 42.853 42.059 -0.029 0.000 1.105 221 L HN 0.205 nan 8.230 nan 0.000 0.477 222 R N 2.489 122.965 120.500 -0.040 0.000 2.587 222 R HA 0.312 4.657 4.340 0.008 0.000 0.283 222 R C -1.457 174.826 176.300 -0.027 0.000 1.472 222 R CA -0.477 55.607 56.100 -0.028 0.000 1.578 222 R CB 0.172 30.453 30.300 -0.031 0.000 1.130 222 R HN 0.345 nan 8.270 nan 0.000 0.602 223 V N 2.924 122.826 119.914 -0.020 0.000 2.557 223 V HA 0.458 4.583 4.120 0.008 0.000 0.301 223 V C 0.579 176.661 176.094 -0.019 0.000 1.026 223 V CA 1.145 63.432 62.300 -0.022 0.000 1.137 223 V CB 0.286 32.102 31.823 -0.012 0.000 0.917 223 V HN 0.873 nan 8.190 nan 0.000 0.484 224 A N 6.726 129.530 122.820 -0.026 0.000 2.536 224 A HA 0.826 5.151 4.320 0.008 0.000 0.293 224 A C -3.186 174.383 177.584 -0.025 0.000 1.119 224 A CA -1.380 50.647 52.037 -0.017 0.000 0.654 224 A CB 1.269 20.263 19.000 -0.010 0.000 1.291 224 A HN 0.560 nan 8.150 nan 0.000 0.439 225 P HA 0.309 nan 4.420 nan 0.000 0.272 225 P C -0.243 177.027 177.300 -0.049 0.000 1.223 225 P CA 0.197 63.299 63.100 0.003 0.000 0.784 225 P CB 0.714 32.461 31.700 0.079 0.000 0.923 226 S N 3.322 118.958 115.700 -0.105 0.000 2.592 226 S HA 0.277 4.752 4.470 0.008 0.000 0.271 226 S C -2.095 172.334 174.600 -0.284 0.000 1.326 226 S CA -0.844 57.208 58.200 -0.247 0.000 1.024 226 S CB -0.490 62.499 63.200 -0.350 0.000 0.921 226 S HN 0.365 nan 8.310 nan 0.000 0.527 227 P HA 0.101 nan 4.420 nan 0.000 0.269 227 P C 0.831 177.809 177.300 -0.537 0.000 1.217 227 P CA -0.127 62.700 63.100 -0.456 0.000 0.783 227 P CB 0.360 31.694 31.700 -0.609 0.000 0.898 228 L N 1.159 122.173 121.223 -0.348 0.000 2.042 228 L HA -0.178 4.166 4.340 0.008 0.000 0.210 228 L C 2.446 179.024 176.870 -0.487 0.000 1.076 228 L CA 1.631 56.244 54.840 -0.378 0.000 0.749 228 L CB -0.937 40.950 42.059 -0.286 0.000 0.893 228 L HN 0.646 nan 8.230 nan 0.000 0.432 229 W N -0.164 120.911 121.300 -0.376 0.000 2.350 229 W HA -0.254 4.410 4.660 0.008 0.000 0.289 229 W C 2.099 178.352 176.519 -0.443 0.000 1.215 229 W CA 1.046 58.147 57.345 -0.407 0.000 1.236 229 W CB -0.829 28.430 29.460 -0.335 0.000 1.130 229 W HN 0.218 nan 8.180 nan 0.000 0.541 230 M N 1.346 120.208 119.600 -1.230 0.000 2.193 230 M HA -0.154 4.331 4.480 0.008 0.000 0.265 230 M C 2.588 178.525 176.300 -0.605 0.000 1.071 230 M CA 1.722 56.331 55.300 -1.151 0.000 1.140 230 M CB -0.248 31.426 32.600 -1.544 0.000 1.369 230 M HN -0.040 nan 8.290 nan 0.000 0.423 231 Q N -0.305 119.188 119.800 -0.512 0.000 2.084 231 Q HA -0.231 4.114 4.340 0.008 0.000 0.202 231 Q C 2.126 177.987 176.000 -0.231 0.000 0.978 231 Q CA 1.709 57.352 55.803 -0.268 0.000 0.844 231 Q CB -0.347 28.407 28.738 0.027 0.000 0.898 231 Q HN 0.541 nan 8.270 nan 0.000 0.426 232 R N 0.691 120.793 120.500 -0.663 0.000 2.083 232 R HA -0.179 4.166 4.340 0.008 0.000 0.237 232 R C 2.229 178.493 176.300 -0.061 0.000 1.137 232 R CA 1.442 57.094 56.100 -0.746 0.000 0.951 232 R CB -0.315 29.334 30.300 -1.086 0.000 0.851 232 R HN 0.240 nan 8.270 nan 0.000 0.434 233 A N 1.049 123.791 122.820 -0.130 0.000 1.865 233 A HA -0.154 4.171 4.320 0.008 0.000 0.217 233 A C 2.247 179.958 177.584 0.212 0.000 1.191 233 A CA 1.484 53.512 52.037 -0.014 0.000 0.623 233 A CB -0.686 18.017 19.000 -0.493 0.000 0.826 233 A HN 0.371 nan 8.150 nan 0.000 0.444 234 L N -2.157 119.099 121.223 0.054 0.000 2.046 234 L HA -0.183 4.162 4.340 0.008 0.000 0.208 234 L C 2.553 179.528 176.870 0.174 0.000 1.077 234 L CA 1.368 56.276 54.840 0.113 0.000 0.747 234 L CB -0.612 41.379 42.059 -0.113 0.000 0.896 234 L HN 0.353 nan 8.230 nan 0.000 0.432 235 F N 0.256 120.350 119.950 0.239 0.000 2.134 235 F HA -0.207 4.324 4.527 0.008 0.000 0.299 235 F C 2.636 178.722 175.800 0.477 0.000 1.097 235 F CA 1.213 59.418 58.000 0.342 0.000 1.264 235 F CB -0.938 38.276 39.000 0.358 0.000 1.001 235 F HN 0.009 nan 8.300 nan 0.000 0.479 236 A N -0.229 123.060 122.820 0.781 0.000 1.940 236 A HA -0.076 4.248 4.320 0.008 0.000 0.219 236 A C 2.213 180.007 177.584 0.350 0.000 1.176 236 A CA 1.698 54.060 52.037 0.542 0.000 0.631 236 A CB -1.245 18.029 19.000 0.456 0.000 0.814 236 A HN 0.276 nan 8.150 nan 0.000 0.446 237 A N -1.837 121.203 122.820 0.366 0.000 2.259 237 A HA 0.422 4.746 4.320 0.008 0.000 0.208 237 A C 1.704 179.396 177.584 0.179 0.000 1.201 237 A CA 1.113 53.291 52.037 0.234 0.000 0.824 237 A CB -1.061 18.098 19.000 0.264 0.000 0.838 237 A HN 1.917 nan 8.150 nan 0.000 0.485 238 G N -1.672 107.268 108.800 0.232 0.000 2.143 238 G HA2 -0.229 3.736 3.960 0.008 0.000 0.249 238 G HA3 -0.229 3.736 3.960 0.008 0.000 0.249 238 G C 0.092 175.086 174.900 0.157 0.000 0.981 238 G CA 0.523 45.738 45.100 0.192 0.000 0.665 238 G HN 0.396 nan 8.290 nan 0.000 0.528 239 M N -0.559 119.121 119.600 0.133 0.000 2.578 239 M HA 0.480 4.964 4.480 0.008 0.000 0.321 239 M C 0.404 176.635 176.300 -0.115 0.000 1.182 239 M CA -0.876 54.443 55.300 0.032 0.000 0.965 239 M CB 2.146 34.760 32.600 0.023 0.000 1.694 239 M HN 0.166 nan 8.290 nan 0.000 0.461 240 R N 3.369 123.773 120.500 -0.161 0.000 2.229 240 R HA 0.428 4.773 4.340 0.008 0.000 0.332 240 R C -2.444 173.631 176.300 -0.375 0.000 0.989 240 R CA -1.407 54.487 56.100 -0.343 0.000 0.842 240 R CB 0.904 31.134 30.300 -0.117 0.000 1.119 240 R HN 0.317 nan 8.270 nan 0.000 0.456 241 P HA 0.001 nan 4.420 nan 0.000 0.267 241 P C -0.071 177.117 177.300 -0.186 0.000 1.200 241 P CA 0.207 63.117 63.100 -0.316 0.000 0.772 241 P CB 1.073 32.585 31.700 -0.313 0.000 0.855 242 I N 0.804 121.291 120.570 -0.139 0.000 3.873 242 I HA 0.081 4.256 4.170 0.008 0.000 0.284 242 I C 0.439 176.512 176.117 -0.074 0.000 1.186 242 I CA 0.415 61.653 61.300 -0.103 0.000 1.362 242 I CB 0.167 38.108 38.000 -0.098 0.000 1.432 242 I HN 0.487 nan 8.210 nan 0.000 0.454 243 N N -1.878 116.773 118.700 -0.081 0.000 3.501 243 N HA 0.119 4.864 4.740 0.008 0.000 0.235 243 N C -0.290 175.165 175.510 -0.092 0.000 1.442 243 N CA -0.647 52.361 53.050 -0.070 0.000 0.872 243 N CB 0.083 38.542 38.487 -0.048 0.000 1.414 243 N HN -0.295 nan 8.380 nan 0.000 0.485 244 N N -0.290 118.356 118.700 -0.091 0.000 2.122 244 N HA -0.239 4.506 4.740 0.008 0.000 0.190 244 N C 1.471 176.922 175.510 -0.099 0.000 0.966 244 N CA 2.559 55.546 53.050 -0.106 0.000 0.891 244 N CB -0.918 37.522 38.487 -0.078 0.000 1.065 244 N HN 0.426 nan 8.380 nan 0.000 0.704 245 V N 1.117 120.988 119.914 -0.072 0.000 2.255 245 V HA -0.202 3.923 4.120 0.008 0.000 0.247 245 V C 2.582 178.643 176.094 -0.054 0.000 1.051 245 V CA 1.665 63.929 62.300 -0.060 0.000 1.018 245 V CB -0.704 31.088 31.823 -0.051 0.000 0.641 245 V HN 0.143 nan 8.190 nan 0.000 0.445 246 V N 0.412 120.294 119.914 -0.053 0.000 2.287 246 V HA -0.286 3.839 4.120 0.008 0.000 0.248 246 V C 2.287 178.356 176.094 -0.040 0.000 1.053 246 V CA 2.350 64.626 62.300 -0.040 0.000 1.027 246 V CB -0.830 30.967 31.823 -0.043 0.000 0.646 246 V HN 0.561 nan 8.190 nan 0.000 0.447 247 D N -0.056 120.299 120.400 -0.074 0.000 2.097 247 D HA -0.138 4.507 4.640 0.008 0.000 0.195 247 D C 2.170 178.448 176.300 -0.036 0.000 0.989 247 D CA 1.228 55.175 54.000 -0.088 0.000 0.827 247 D CB -0.555 40.139 40.800 -0.176 0.000 0.966 247 D HN 0.279 nan 8.370 nan 0.000 0.456 248 V N 1.267 121.146 119.914 -0.059 0.000 2.324 248 V HA -0.281 3.844 4.120 0.008 0.000 0.250 248 V C 2.700 178.844 176.094 0.083 0.000 1.060 248 V CA 2.353 64.651 62.300 -0.003 0.000 1.042 248 V CB -1.036 30.769 31.823 -0.031 0.000 0.650 248 V HN 0.434 nan 8.190 nan 0.000 0.450 249 T N -1.998 112.584 114.554 0.045 0.000 2.821 249 T HA -0.175 4.180 4.350 0.008 0.000 0.267 249 T C 1.737 176.488 174.700 0.085 0.000 1.046 249 T CA 1.542 63.677 62.100 0.059 0.000 1.139 249 T CB -0.444 68.445 68.868 0.035 0.000 0.871 249 T HN 0.417 nan 8.240 nan 0.000 0.454 250 N N 0.432 119.182 118.700 0.084 0.000 2.216 250 N HA -0.025 4.720 4.740 0.008 0.000 0.183 250 N C 1.552 177.169 175.510 0.180 0.000 1.017 250 N CA 1.089 54.197 53.050 0.097 0.000 0.861 250 N CB -0.549 37.976 38.487 0.063 0.000 0.986 250 N HN 0.537 nan 8.380 nan 0.000 0.428 251 Y N 1.975 122.331 120.300 0.094 0.000 2.145 251 Y HA -0.178 4.377 4.550 0.008 0.000 0.286 251 Y C 2.258 178.318 175.900 0.267 0.000 1.145 251 Y CA 1.298 59.525 58.100 0.211 0.000 1.148 251 Y CB -0.319 38.173 38.460 0.054 0.000 0.981 251 Y HN -0.212 nan 8.280 nan 0.000 0.507 252 V N 0.824 120.906 119.914 0.279 0.000 2.427 252 V HA -0.365 3.760 4.120 0.008 0.000 0.248 252 V C 2.478 178.593 176.094 0.035 0.000 1.051 252 V CA 2.098 64.490 62.300 0.153 0.000 1.048 252 V CB -0.755 31.152 31.823 0.139 0.000 0.666 252 V HN 0.597 nan 8.190 nan 0.000 0.456 253 M N -0.303 119.317 119.600 0.034 0.000 2.080 253 M HA -0.193 4.292 4.480 0.008 0.000 0.260 253 M C 2.071 178.323 176.300 -0.080 0.000 1.068 253 M CA 2.096 57.379 55.300 -0.028 0.000 1.109 253 M CB -0.196 32.398 32.600 -0.010 0.000 1.342 253 M HN 0.259 nan 8.290 nan 0.000 0.405 254 L N -0.251 120.934 121.223 -0.064 0.000 2.275 254 L HA -0.158 4.186 4.340 0.008 0.000 0.215 254 L C 2.423 179.107 176.870 -0.312 0.000 1.119 254 L CA 1.348 56.078 54.840 -0.182 0.000 0.790 254 L CB -0.780 41.184 42.059 -0.159 0.000 0.919 254 L HN 0.521 nan 8.230 nan 0.000 0.443 255 E N 1.767 121.839 120.200 -0.213 0.000 2.112 255 E HA -0.149 4.206 4.350 0.008 0.000 0.190 255 E C 1.371 177.790 176.600 -0.302 0.000 0.979 255 E CA 0.585 56.830 56.400 -0.258 0.000 0.814 255 E CB 0.335 29.988 29.700 -0.077 0.000 0.762 255 E HN 0.494 nan 8.360 nan 0.000 0.460 256 R N -0.734 119.641 120.500 -0.209 0.000 2.661 256 R HA 0.525 4.870 4.340 0.008 0.000 0.429 256 R C -0.113 176.084 176.300 -0.173 0.000 1.044 256 R CA 0.166 56.141 56.100 -0.208 0.000 1.065 256 R CB 0.436 30.636 30.300 -0.167 0.000 1.377 256 R HN 0.094 nan 8.270 nan 0.000 0.600 257 A N 1.340 124.051 122.820 -0.182 0.000 2.364 257 A HA -0.251 4.074 4.320 0.008 0.000 0.288 257 A C 0.014 177.488 177.584 -0.183 0.000 1.433 257 A CA 1.589 53.520 52.037 -0.177 0.000 0.757 257 A CB -1.108 17.795 19.000 -0.161 0.000 1.098 257 A HN 0.680 nan 8.150 nan 0.000 0.380 258 Q N -0.622 119.079 119.800 -0.166 0.000 3.021 258 Q HA 0.500 4.845 4.340 0.008 0.000 0.234 258 Q C -3.032 172.899 176.000 -0.115 0.000 0.930 258 Q CA -1.816 53.898 55.803 -0.147 0.000 0.714 258 Q CB 1.310 30.004 28.738 -0.073 0.000 1.325 258 Q HN 0.340 nan 8.270 nan 0.000 0.473 259 P HA 0.211 nan 4.420 nan 0.000 0.266 259 P C -0.779 176.604 177.300 0.139 0.000 1.195 259 P CA 0.307 63.383 63.100 -0.039 0.000 0.768 259 P CB 0.473 32.110 31.700 -0.104 0.000 0.838 260 M N 1.171 120.852 119.600 0.134 0.000 2.578 260 M HA 0.681 5.166 4.480 0.008 0.000 0.276 260 M C -1.547 174.843 176.300 0.150 0.000 1.245 260 M CA -0.831 54.553 55.300 0.138 0.000 0.871 260 M CB 2.842 35.482 32.600 0.067 0.000 1.722 260 M HN 0.209 nan 8.290 nan 0.000 0.473 261 H N 0.726 119.783 119.070 -0.022 0.000 2.865 261 H HA 0.805 5.366 4.556 0.008 0.000 0.362 261 H C -2.039 173.146 175.328 -0.238 0.000 1.114 261 H CA -0.153 55.789 56.048 -0.177 0.000 1.208 261 H CB 2.054 31.627 29.762 -0.315 0.000 1.727 261 H HN 1.039 nan 8.280 nan 0.000 0.534 262 A N 4.988 127.358 122.820 -0.750 0.000 2.252 262 A HA 0.501 4.826 4.320 0.008 0.000 0.309 262 A C -1.221 175.806 177.584 -0.929 0.000 1.285 262 A CA -0.411 51.280 52.037 -0.577 0.000 0.900 262 A CB -0.449 18.399 19.000 -0.253 0.000 1.157 262 A HN 0.472 nan 8.150 nan 0.000 0.536 263 F N 1.687 121.393 119.950 -0.406 0.000 2.408 263 F HA 0.237 4.769 4.527 0.008 0.000 0.344 263 F C 0.725 176.483 175.800 -0.069 0.000 1.112 263 F CA -0.420 57.447 58.000 -0.220 0.000 1.096 263 F CB 1.369 40.309 39.000 -0.100 0.000 1.129 263 F HN 0.587 nan 8.300 nan 0.000 0.486 264 D N 4.022 124.553 120.400 0.218 0.000 2.358 264 D HA 0.022 4.667 4.640 0.008 0.000 0.258 264 D C 1.216 177.646 176.300 0.217 0.000 1.223 264 D CA 0.338 54.469 54.000 0.218 0.000 0.886 264 D CB 0.884 41.877 40.800 0.321 0.000 1.120 264 D HN 0.599 nan 8.370 nan 0.000 0.482 265 L N 4.042 125.324 121.223 0.099 0.000 2.189 265 L HA -0.214 4.131 4.340 0.008 0.000 0.214 265 L C 2.406 179.263 176.870 -0.022 0.000 1.097 265 L CA 0.975 55.822 54.840 0.012 0.000 0.764 265 L CB -0.138 41.933 42.059 0.021 0.000 0.900 265 L HN 0.413 nan 8.230 nan 0.000 0.436 266 R N -0.703 119.750 120.500 -0.078 0.000 2.154 266 R HA -0.198 4.147 4.340 0.008 0.000 0.248 266 R C 1.615 177.647 176.300 -0.447 0.000 1.155 266 R CA 1.546 57.455 56.100 -0.319 0.000 0.979 266 R CB -0.303 29.653 30.300 -0.573 0.000 0.869 266 R HN 0.286 nan 8.270 nan 0.000 0.452 267 F N -1.562 118.403 119.950 0.024 0.000 2.721 267 F HA 0.120 4.652 4.527 0.008 0.000 0.301 267 F C 1.788 177.661 175.800 0.121 0.000 1.096 267 F CA -0.168 57.860 58.000 0.046 0.000 1.308 267 F CB 0.324 39.372 39.000 0.081 0.000 1.086 267 F HN -0.250 nan 8.300 nan 0.000 0.587 268 V N -0.137 119.869 119.914 0.153 0.000 2.453 268 V HA 0.087 4.212 4.120 0.008 0.000 0.247 268 V C 1.881 177.959 176.094 -0.027 0.000 1.048 268 V CA 1.338 63.642 62.300 0.007 0.000 1.049 268 V CB -1.068 30.638 31.823 -0.195 0.000 0.672 268 V HN 0.555 nan 8.190 nan 0.000 0.457 269 G N 0.211 108.998 108.800 -0.022 0.000 2.509 269 G HA2 -0.308 3.657 3.960 0.008 0.000 0.256 269 G HA3 -0.308 3.657 3.960 0.008 0.000 0.256 269 G C 0.598 175.346 174.900 -0.253 0.000 1.152 269 G CA 0.394 45.454 45.100 -0.067 0.000 0.951 269 G HN 0.351 nan 8.290 nan 0.000 0.559 270 E N 0.795 120.697 120.200 -0.495 0.000 2.158 270 E HA 0.344 4.699 4.350 0.008 0.000 0.191 270 E C 1.248 177.376 176.600 -0.787 0.000 0.982 270 E CA 0.800 56.850 56.400 -0.583 0.000 0.823 270 E CB 0.111 29.468 29.700 -0.572 0.000 0.766 270 E HN 1.115 nan 8.360 nan 0.000 0.468 271 G N 0.058 108.039 108.800 -1.365 0.000 2.506 271 G HA2 0.431 4.396 3.960 0.008 0.000 0.292 271 G HA3 0.431 4.396 3.960 0.008 0.000 0.292 271 G C -1.743 172.721 174.900 -0.728 0.000 1.425 271 G CA -0.936 43.565 45.100 -0.998 0.000 0.788 271 G HN -0.072 nan 8.290 nan 0.000 0.490 272 I N 0.999 121.457 120.570 -0.186 0.000 2.440 272 I HA 0.641 4.816 4.170 0.008 0.000 0.294 272 I C 0.629 176.848 176.117 0.170 0.000 0.995 272 I CA -0.414 60.845 61.300 -0.068 0.000 1.306 272 I CB 1.784 39.775 38.000 -0.015 0.000 1.407 272 I HN 0.752 nan 8.210 nan 0.000 0.501 273 A N 6.389 129.261 122.820 0.086 0.000 2.340 273 A HA 0.639 4.963 4.320 0.008 0.000 0.297 273 A C -0.978 176.530 177.584 -0.125 0.000 1.195 273 A CA -0.542 51.520 52.037 0.042 0.000 0.769 273 A CB 0.732 19.780 19.000 0.081 0.000 1.163 273 A HN 0.374 nan 8.150 nan 0.000 0.472 274 V N 4.799 124.566 119.914 -0.245 0.000 2.356 274 V HA 0.449 4.574 4.120 0.008 0.000 0.258 274 V C 0.579 176.584 176.094 -0.148 0.000 1.065 274 V CA 0.130 62.275 62.300 -0.258 0.000 0.935 274 V CB -0.545 30.982 31.823 -0.492 0.000 1.061 274 V HN 1.025 nan 8.190 nan 0.000 0.484 275 R N 3.429 123.868 120.500 -0.101 0.000 2.831 275 R HA 0.814 5.159 4.340 0.008 0.000 0.266 275 R C -0.774 175.494 176.300 -0.054 0.000 1.051 275 R CA -1.319 54.734 56.100 -0.077 0.000 0.943 275 R CB 1.447 31.695 30.300 -0.086 0.000 1.228 275 R HN 0.316 nan 8.270 nan 0.000 0.467 276 R N 0.251 120.727 120.500 -0.039 0.000 2.531 276 R HA 0.469 4.813 4.340 0.008 0.000 0.273 276 R C -0.583 175.706 176.300 -0.018 0.000 1.070 276 R CA 0.371 56.460 56.100 -0.018 0.000 1.112 276 R CB 1.251 31.547 30.300 -0.006 0.000 1.049 276 R HN 0.757 nan 8.270 nan 0.000 0.508 277 A N 3.044 125.865 122.820 0.001 0.000 2.354 277 A HA 0.363 4.688 4.320 0.008 0.000 0.269 277 A C -0.414 177.169 177.584 -0.002 0.000 1.109 277 A CA -0.438 51.602 52.037 0.004 0.000 0.800 277 A CB 0.365 19.380 19.000 0.025 0.000 1.045 277 A HN 0.692 nan 8.150 nan 0.000 0.489 278 R N 2.052 122.548 120.500 -0.007 0.000 2.390 278 R HA 0.218 4.563 4.340 0.008 0.000 0.291 278 R C -0.478 175.811 176.300 -0.019 0.000 1.070 278 R CA -0.320 55.770 56.100 -0.017 0.000 1.014 278 R CB 0.728 31.021 30.300 -0.012 0.000 1.007 278 R HN 0.773 nan 8.270 nan 0.000 0.466 279 E N 0.745 120.919 120.200 -0.043 0.000 2.568 279 E HA -0.093 4.262 4.350 0.008 0.000 0.262 279 E C 1.014 177.599 176.600 -0.024 0.000 0.961 279 E CA 1.134 57.501 56.400 -0.056 0.000 0.945 279 E CB 0.291 29.941 29.700 -0.083 0.000 0.924 279 E HN 0.880 nan 8.360 nan 0.000 0.467 280 G N 3.043 111.835 108.800 -0.013 0.000 2.383 280 G HA2 -0.403 3.562 3.960 0.008 0.000 0.229 280 G HA3 -0.403 3.562 3.960 0.008 0.000 0.229 280 G C 0.317 175.230 174.900 0.022 0.000 1.089 280 G CA 0.251 45.354 45.100 0.005 0.000 0.640 280 G HN 0.641 nan 8.290 nan 0.000 0.510 281 E N 2.045 122.259 120.200 0.023 0.000 2.966 281 E HA 0.138 4.492 4.350 0.008 0.000 0.254 281 E C 0.885 177.512 176.600 0.045 0.000 0.923 281 E CA 0.355 56.776 56.400 0.036 0.000 0.960 281 E CB 0.192 29.912 29.700 0.033 0.000 0.901 281 E HN 0.582 nan 8.360 nan 0.000 0.525 282 R N 3.695 124.223 120.500 0.046 0.000 2.596 282 R HA 0.642 4.987 4.340 0.008 0.000 0.267 282 R C -0.452 175.875 176.300 0.044 0.000 1.026 282 R CA -0.853 55.274 56.100 0.046 0.000 1.087 282 R CB 1.065 31.388 30.300 0.038 0.000 1.132 282 R HN 0.475 nan 8.270 nan 0.000 0.531 283 L N 1.281 122.524 121.223 0.034 0.000 2.614 283 L HA 0.278 4.623 4.340 0.008 0.000 0.264 283 L C -1.342 175.534 176.870 0.009 0.000 0.940 283 L CA -0.578 54.275 54.840 0.022 0.000 0.903 283 L CB 2.024 44.087 42.059 0.007 0.000 1.306 283 L HN 0.619 nan 8.230 nan 0.000 0.410 284 K N 3.704 124.105 120.400 0.002 0.000 2.250 284 K HA 0.330 4.655 4.320 0.008 0.000 0.280 284 K C 0.091 176.678 176.600 -0.021 0.000 1.098 284 K CA -0.339 55.943 56.287 -0.008 0.000 0.916 284 K CB 0.734 33.227 32.500 -0.013 0.000 1.209 284 K HN 0.690 nan 8.250 nan 0.000 0.461 285 T N 0.693 115.232 114.554 -0.026 0.000 2.766 285 T HA 0.068 4.422 4.350 0.008 0.000 0.295 285 T C 1.618 176.290 174.700 -0.047 0.000 1.024 285 T CA -0.693 61.381 62.100 -0.043 0.000 1.018 285 T CB 0.666 69.501 68.868 -0.054 0.000 1.002 285 T HN 0.587 nan 8.240 nan 0.000 0.532 286 L N 0.853 122.036 121.223 -0.066 0.000 2.137 286 L HA -0.164 4.181 4.340 0.008 0.000 0.213 286 L C 2.059 178.899 176.870 -0.049 0.000 1.085 286 L CA 1.889 56.688 54.840 -0.068 0.000 0.760 286 L CB -0.641 41.360 42.059 -0.098 0.000 0.893 286 L HN 0.849 nan 8.230 nan 0.000 0.434 287 D N -1.115 119.262 120.400 -0.039 0.000 2.378 287 D HA 0.004 4.649 4.640 0.008 0.000 0.227 287 D C 1.461 177.753 176.300 -0.014 0.000 1.012 287 D CA 0.783 54.769 54.000 -0.024 0.000 0.905 287 D CB -0.226 40.565 40.800 -0.014 0.000 0.895 287 D HN 0.299 nan 8.370 nan 0.000 0.532 288 G N -0.778 108.012 108.800 -0.018 0.000 2.179 288 G HA2 -0.280 3.685 3.960 0.008 0.000 0.260 288 G HA3 -0.280 3.685 3.960 0.008 0.000 0.260 288 G C 0.202 175.100 174.900 -0.003 0.000 0.977 288 G CA 0.235 45.329 45.100 -0.011 0.000 0.641 288 G HN 0.410 nan 8.290 nan 0.000 0.533 289 V N 0.919 120.832 119.914 -0.002 0.000 2.488 289 V HA 0.478 4.602 4.120 0.008 0.000 0.277 289 V C 0.629 176.729 176.094 0.010 0.000 1.046 289 V CA -0.315 61.990 62.300 0.008 0.000 0.986 289 V CB 1.610 33.442 31.823 0.014 0.000 0.989 289 V HN 0.387 nan 8.190 nan 0.000 0.475 290 E N 5.234 125.443 120.200 0.016 0.000 2.223 290 E HA 0.374 4.729 4.350 0.008 0.000 0.282 290 E C -0.139 176.482 176.600 0.035 0.000 1.046 290 E CA 0.026 56.438 56.400 0.020 0.000 0.857 290 E CB 0.469 30.180 29.700 0.017 0.000 1.055 290 E HN 0.573 nan 8.360 nan 0.000 0.409 291 R N 2.179 122.705 120.500 0.043 0.000 2.919 291 R HA 0.628 4.973 4.340 0.008 0.000 0.260 291 R C -0.730 175.622 176.300 0.086 0.000 1.067 291 R CA -0.941 55.208 56.100 0.082 0.000 1.003 291 R CB 2.036 32.396 30.300 0.100 0.000 1.192 291 R HN 0.358 nan 8.270 nan 0.000 0.488 292 T N 1.998 116.628 114.554 0.127 0.000 2.847 292 T HA 0.376 4.731 4.350 0.008 0.000 0.291 292 T C -0.131 174.684 174.700 0.191 0.000 0.998 292 T CA -0.658 61.508 62.100 0.110 0.000 0.967 292 T CB 0.667 69.576 68.868 0.068 0.000 0.954 292 T HN 0.193 nan 8.240 nan 0.000 0.441 293 L N 3.062 124.382 121.223 0.160 0.000 2.453 293 L HA 0.401 4.746 4.340 0.008 0.000 0.261 293 L C 0.674 177.655 176.870 0.185 0.000 1.179 293 L CA -0.845 54.122 54.840 0.210 0.000 0.813 293 L CB 0.403 42.525 42.059 0.105 0.000 1.110 293 L HN 0.576 nan 8.230 nan 0.000 0.466 294 H N 4.079 123.223 119.070 0.123 0.000 2.472 294 H HA 0.238 4.799 4.556 0.008 0.000 0.338 294 H C -2.066 173.287 175.328 0.041 0.000 1.133 294 H CA -2.222 53.862 56.048 0.060 0.000 1.216 294 H CB 2.344 32.133 29.762 0.046 0.000 1.497 294 H HN 0.295 nan 8.280 nan 0.000 0.500 295 P HA -0.141 nan 4.420 nan 0.000 0.224 295 P C 0.515 177.919 177.300 0.173 0.000 1.142 295 P CA 1.156 64.244 63.100 -0.020 0.000 0.778 295 P CB 0.341 31.945 31.700 -0.160 0.000 0.764 296 E N -0.793 119.719 120.200 0.519 0.000 2.472 296 E HA 0.018 4.373 4.350 0.008 0.000 0.196 296 E C -0.021 176.651 176.600 0.119 0.000 1.033 296 E CA -0.211 56.338 56.400 0.249 0.000 0.886 296 E CB 0.122 29.905 29.700 0.140 0.000 0.944 296 E HN 0.262 nan 8.360 nan 0.000 0.492 297 D N 1.480 121.969 120.400 0.148 0.000 2.343 297 D HA 0.053 4.698 4.640 0.008 0.000 0.255 297 D C -0.098 176.199 176.300 -0.006 0.000 1.187 297 D CA 0.161 54.195 54.000 0.056 0.000 0.875 297 D CB 1.002 41.853 40.800 0.084 0.000 1.136 297 D HN 0.129 nan 8.370 nan 0.000 0.469 298 L N 2.809 123.993 121.223 -0.065 0.000 2.416 298 L HA 0.192 4.537 4.340 0.008 0.000 0.272 298 L C -0.552 176.246 176.870 -0.120 0.000 1.161 298 L CA -0.135 54.648 54.840 -0.095 0.000 0.845 298 L CB 0.892 42.858 42.059 -0.155 0.000 1.119 298 L HN 0.036 nan 8.230 nan 0.000 0.464 299 V N 5.470 125.334 119.914 -0.084 0.000 2.823 299 V HA 0.418 4.543 4.120 0.008 0.000 0.312 299 V C -0.117 175.944 176.094 -0.054 0.000 1.072 299 V CA -0.779 61.480 62.300 -0.068 0.000 0.937 299 V CB 2.457 34.253 31.823 -0.045 0.000 1.013 299 V HN 0.456 nan 8.190 nan 0.000 0.430 300 I N 3.694 124.253 120.570 -0.019 0.000 2.307 300 I HA 0.674 4.848 4.170 0.008 0.000 0.289 300 I C 0.416 176.460 176.117 -0.122 0.000 1.021 300 I CA 0.101 61.384 61.300 -0.028 0.000 1.224 300 I CB 0.940 38.996 38.000 0.094 0.000 1.376 300 I HN 0.759 nan 8.210 nan 0.000 0.470 301 A N 4.976 127.702 122.820 -0.156 0.000 2.387 301 A HA 0.981 5.306 4.320 0.008 0.000 0.298 301 A C -0.052 177.356 177.584 -0.293 0.000 1.165 301 A CA -0.494 51.419 52.037 -0.206 0.000 0.814 301 A CB 1.755 20.652 19.000 -0.171 0.000 1.357 301 A HN 0.708 nan 8.150 nan 0.000 0.443 302 G N -1.743 106.713 108.800 -0.574 0.000 2.630 302 G HA2 0.674 4.639 3.960 0.008 0.000 0.296 302 G HA3 0.674 4.639 3.960 0.008 0.000 0.296 302 G C -1.250 173.028 174.900 -1.036 0.000 1.285 302 G CA -0.378 44.310 45.100 -0.687 0.000 0.958 302 G HN 1.658 nan 8.290 nan 0.000 0.479 303 W N -0.050 120.874 121.300 -0.626 0.000 3.256 303 W HA 0.805 5.470 4.660 0.008 0.000 0.324 303 W C -1.077 175.489 176.519 0.079 0.000 1.196 303 W CA -1.564 55.582 57.345 -0.332 0.000 1.206 303 W CB 1.564 30.902 29.460 -0.203 0.000 1.385 303 W HN 0.605 nan 8.180 nan 0.000 0.522 304 R N 3.664 124.431 120.500 0.446 0.000 2.500 304 R HA 0.513 4.857 4.340 0.008 0.000 0.299 304 R C 0.795 177.269 176.300 0.290 0.000 1.038 304 R CA 0.291 56.565 56.100 0.290 0.000 0.903 304 R CB 1.051 31.515 30.300 0.273 0.000 1.177 304 R HN 1.421 nan 8.270 nan 0.000 0.455 305 G N 3.115 112.073 108.800 0.264 0.000 2.565 305 G HA2 -0.316 3.649 3.960 0.008 0.000 0.295 305 G HA3 -0.316 3.649 3.960 0.008 0.000 0.295 305 G C 0.092 175.113 174.900 0.202 0.000 1.165 305 G CA 0.268 45.486 45.100 0.197 0.000 0.977 305 G HN 0.599 nan 8.290 nan 0.000 0.546 306 E N 2.832 123.115 120.200 0.138 0.000 2.423 306 E HA 0.271 4.626 4.350 0.008 0.000 0.198 306 E C 0.350 177.020 176.600 0.116 0.000 1.038 306 E CA 0.282 56.740 56.400 0.096 0.000 1.011 306 E CB 0.288 30.022 29.700 0.057 0.000 1.118 306 E HN 0.609 nan 8.360 nan 0.000 0.451 307 E N 0.144 120.463 120.200 0.198 0.000 2.234 307 E HA 0.345 4.700 4.350 0.008 0.000 0.266 307 E C -1.006 175.777 176.600 0.305 0.000 0.877 307 E CA -0.442 56.102 56.400 0.241 0.000 0.758 307 E CB 2.231 32.092 29.700 0.269 0.000 1.170 307 E HN -0.153 nan 8.360 nan 0.000 0.415 308 S N 2.887 118.704 115.700 0.194 0.000 2.482 308 S HA 0.746 5.221 4.470 0.008 0.000 0.303 308 S C -1.381 173.272 174.600 0.087 0.000 1.091 308 S CA -0.661 57.543 58.200 0.006 0.000 1.057 308 S CB 0.284 63.462 63.200 -0.037 0.000 1.031 308 S HN 0.428 nan 8.310 nan 0.000 0.485 309 F N 1.864 121.863 119.950 0.080 0.000 2.601 309 F HA 0.736 5.268 4.527 0.008 0.000 0.309 309 F C -3.149 172.671 175.800 0.033 0.000 1.089 309 F CA -2.776 55.254 58.000 0.050 0.000 0.940 309 F CB 0.343 39.376 39.000 0.054 0.000 1.273 309 F HN 0.249 nan 8.300 nan 0.000 0.450 310 P HA 0.348 nan 4.420 nan 0.000 0.275 310 P C -0.021 177.356 177.300 0.127 0.000 1.227 310 P CA -0.200 62.942 63.100 0.070 0.000 0.781 310 P CB 1.366 33.103 31.700 0.061 0.000 0.906 311 L N 0.819 122.082 121.223 0.067 0.000 2.685 311 L HA 0.456 4.801 4.340 0.008 0.000 0.235 311 L C 0.993 178.029 176.870 0.276 0.000 1.070 311 L CA 0.288 55.211 54.840 0.138 0.000 0.888 311 L CB 0.358 42.371 42.059 -0.078 0.000 1.203 311 L HN 0.537 nan 8.230 nan 0.000 0.499 312 G N -0.119 108.801 108.800 0.201 0.000 2.667 312 G HA2 0.353 4.318 3.960 0.008 0.000 0.294 312 G HA3 0.353 4.318 3.960 0.008 0.000 0.294 312 G C -1.708 173.226 174.900 0.056 0.000 1.467 312 G CA -0.510 44.705 45.100 0.192 0.000 0.852 312 G HN -0.153 nan 8.290 nan 0.000 0.521 313 L N 2.318 123.522 121.223 -0.033 0.000 2.363 313 L HA 0.464 4.808 4.340 0.008 0.000 0.286 313 L C 1.308 178.091 176.870 -0.145 0.000 1.106 313 L CA -0.513 54.258 54.840 -0.115 0.000 0.859 313 L CB 0.321 42.276 42.059 -0.174 0.000 1.223 313 L HN 0.803 nan 8.230 nan 0.000 0.446 314 A N 3.474 126.171 122.820 -0.204 0.000 2.591 314 A HA 0.248 4.573 4.320 0.008 0.000 0.244 314 A C 1.437 178.594 177.584 -0.710 0.000 1.031 314 A CA 0.773 52.536 52.037 -0.457 0.000 0.767 314 A CB -0.205 18.411 19.000 -0.639 0.000 0.942 314 A HN 1.212 nan 8.150 nan 0.000 0.514 315 G N 0.915 109.321 108.800 -0.655 0.000 2.180 315 G HA2 -0.238 3.727 3.960 0.008 0.000 0.263 315 G HA3 -0.238 3.727 3.960 0.008 0.000 0.263 315 G C 0.635 175.574 174.900 0.065 0.000 0.989 315 G CA 0.938 45.825 45.100 -0.356 0.000 0.692 315 G HN 1.444 nan 8.290 nan 0.000 0.526 316 V N -1.389 118.508 119.914 -0.028 0.000 3.161 316 V HA 0.646 4.771 4.120 0.008 0.000 0.221 316 V C 0.514 176.600 176.094 -0.014 0.000 1.296 316 V CA 1.601 63.905 62.300 0.006 0.000 1.306 316 V CB 0.778 32.567 31.823 -0.057 0.000 1.171 316 V HN 0.520 nan 8.190 nan 0.000 0.513 317 M N -0.123 119.435 119.600 -0.070 0.000 2.333 317 M HA 0.591 5.076 4.480 0.008 0.000 0.286 317 M C -0.431 175.767 176.300 -0.170 0.000 1.113 317 M CA -0.264 54.969 55.300 -0.111 0.000 0.959 317 M CB 1.814 34.360 32.600 -0.090 0.000 1.776 317 M HN 0.324 nan 8.290 nan 0.000 0.492 318 G N 1.824 110.419 108.800 -0.342 0.000 2.606 318 G HA2 0.514 4.479 3.960 0.008 0.000 0.252 318 G HA3 0.514 4.479 3.960 0.008 0.000 0.252 318 G C 0.122 174.908 174.900 -0.190 0.000 1.206 318 G CA -0.116 44.697 45.100 -0.478 0.000 0.861 318 G HN 0.893 nan 8.290 nan 0.000 0.561 319 G N -1.219 107.574 108.800 -0.012 0.000 2.503 319 G HA2 0.500 4.465 3.960 0.008 0.000 0.257 319 G HA3 0.500 4.465 3.960 0.008 0.000 0.257 319 G C 1.090 175.974 174.900 -0.027 0.000 1.214 319 G CA 0.472 45.582 45.100 0.017 0.000 0.839 319 G HN 0.977 nan 8.290 nan 0.000 0.559 320 A N 0.566 123.355 122.820 -0.051 0.000 1.929 320 A HA -0.008 4.317 4.320 0.008 0.000 0.216 320 A C 2.009 179.522 177.584 -0.118 0.000 1.176 320 A CA 1.879 53.875 52.037 -0.069 0.000 0.628 320 A CB -0.404 18.561 19.000 -0.057 0.000 0.816 320 A HN 0.780 nan 8.150 nan 0.000 0.444 321 E N 0.596 120.683 120.200 -0.188 0.000 2.051 321 E HA -0.156 4.199 4.350 0.008 0.000 0.192 321 E C 1.739 177.908 176.600 -0.718 0.000 0.991 321 E CA 1.562 57.701 56.400 -0.434 0.000 0.799 321 E CB -0.090 29.322 29.700 -0.480 0.000 0.748 321 E HN 0.668 nan 8.360 nan 0.000 0.449 322 S N 0.407 115.854 115.700 -0.422 0.000 2.631 322 S HA 0.085 4.560 4.470 0.008 0.000 0.217 322 S C 0.530 175.163 174.600 0.054 0.000 0.958 322 S CA -0.340 57.764 58.200 -0.159 0.000 0.920 322 S CB 0.218 63.571 63.200 0.254 0.000 0.776 322 S HN 0.132 nan 8.310 nan 0.000 0.517 323 E N 2.078 122.279 120.200 0.001 0.000 2.502 323 E HA 0.047 4.402 4.350 0.008 0.000 0.261 323 E C -0.500 176.124 176.600 0.040 0.000 0.974 323 E CA 0.194 56.616 56.400 0.037 0.000 0.936 323 E CB 0.852 30.551 29.700 -0.003 0.000 0.926 323 E HN 0.143 nan 8.360 nan 0.000 0.459 324 V N 5.963 125.887 119.914 0.017 0.000 2.470 324 V HA 0.102 4.227 4.120 0.008 0.000 0.276 324 V C 0.826 176.931 176.094 0.018 0.000 1.040 324 V CA 0.459 62.770 62.300 0.018 0.000 1.008 324 V CB 0.596 32.405 31.823 -0.024 0.000 0.990 324 V HN 0.555 nan 8.190 nan 0.000 0.477 325 R N 2.770 123.293 120.500 0.038 0.000 3.029 325 R HA 0.451 4.796 4.340 0.008 0.000 0.239 325 R C 0.821 177.135 176.300 0.022 0.000 1.351 325 R CA -0.897 55.218 56.100 0.026 0.000 1.052 325 R CB 0.738 31.061 30.300 0.039 0.000 1.354 325 R HN 0.522 nan 8.270 nan 0.000 0.499 326 E N 0.699 120.908 120.200 0.015 0.000 2.130 326 E HA -0.187 4.168 4.350 0.008 0.000 0.196 326 E C 0.569 177.178 176.600 0.016 0.000 0.998 326 E CA 1.492 57.898 56.400 0.010 0.000 0.806 326 E CB -0.061 29.643 29.700 0.007 0.000 0.738 326 E HN 0.421 nan 8.360 nan 0.000 0.459 327 D N -0.060 120.356 120.400 0.026 0.000 2.340 327 D HA 0.005 4.650 4.640 0.008 0.000 0.220 327 D C -0.093 176.227 176.300 0.033 0.000 1.039 327 D CA 0.353 54.369 54.000 0.027 0.000 0.866 327 D CB -0.064 40.753 40.800 0.028 0.000 0.913 327 D HN 0.066 nan 8.370 nan 0.000 0.523 328 T N 0.976 115.556 114.554 0.042 0.000 2.928 328 T HA 0.060 4.414 4.350 0.008 0.000 0.305 328 T C 1.313 176.038 174.700 0.041 0.000 1.035 328 T CA 0.299 62.430 62.100 0.052 0.000 1.145 328 T CB 1.406 70.308 68.868 0.058 0.000 0.963 328 T HN 0.113 nan 8.240 nan 0.000 0.545 329 E N 0.491 120.724 120.200 0.055 0.000 2.474 329 E HA 0.369 4.724 4.350 0.008 0.000 0.215 329 E C 0.333 176.993 176.600 0.100 0.000 0.867 329 E CA -0.151 56.288 56.400 0.064 0.000 1.135 329 E CB 0.863 30.605 29.700 0.071 0.000 1.147 329 E HN 0.628 nan 8.360 nan 0.000 0.534 330 A N 1.713 124.608 122.820 0.126 0.000 2.515 330 A HA 0.724 5.049 4.320 0.008 0.000 0.298 330 A C -0.920 176.764 177.584 0.167 0.000 1.059 330 A CA -0.797 51.357 52.037 0.194 0.000 0.698 330 A CB 1.222 20.418 19.000 0.327 0.000 1.289 330 A HN 0.227 nan 8.150 nan 0.000 0.404 331 I N -1.912 118.770 120.570 0.186 0.000 3.074 331 I HA 0.928 5.103 4.170 0.008 0.000 0.310 331 I C -0.266 175.950 176.117 0.166 0.000 1.153 331 I CA -1.266 60.110 61.300 0.127 0.000 0.993 331 I CB 2.344 40.374 38.000 0.051 0.000 1.237 331 I HN 0.822 nan 8.210 nan 0.000 0.443 332 A N 4.499 127.336 122.820 0.027 0.000 2.287 332 A HA 0.678 5.003 4.320 0.008 0.000 0.317 332 A C -0.901 176.741 177.584 0.096 0.000 1.220 332 A CA -0.558 51.446 52.037 -0.056 0.000 0.835 332 A CB 1.068 19.753 19.000 -0.525 0.000 1.180 332 A HN 0.765 nan 8.150 nan 0.000 0.500 333 L N 2.463 123.767 121.223 0.135 0.000 2.275 333 L HA 0.358 4.703 4.340 0.008 0.000 0.288 333 L C 0.273 177.185 176.870 0.071 0.000 1.046 333 L CA -0.224 54.663 54.840 0.078 0.000 0.805 333 L CB 1.182 43.277 42.059 0.061 0.000 1.193 333 L HN 0.899 nan 8.230 nan 0.000 0.426 334 E N 4.481 124.727 120.200 0.077 0.000 2.115 334 E HA 0.398 4.753 4.350 0.008 0.000 0.282 334 E C -1.693 174.861 176.600 -0.078 0.000 0.987 334 E CA -0.564 55.833 56.400 -0.005 0.000 0.797 334 E CB 1.409 31.274 29.700 0.276 0.000 1.086 334 E HN 0.362 nan 8.360 nan 0.000 0.397 335 V N 3.842 123.604 119.914 -0.253 0.000 2.488 335 V HA 0.690 4.815 4.120 0.008 0.000 0.293 335 V C -0.375 175.496 176.094 -0.372 0.000 1.027 335 V CA -0.406 61.785 62.300 -0.181 0.000 0.862 335 V CB 0.915 32.669 31.823 -0.115 0.000 1.008 335 V HN 0.812 nan 8.190 nan 0.000 0.428 336 A N 3.033 125.664 122.820 -0.315 0.000 2.552 336 A HA 0.895 5.220 4.320 0.008 0.000 0.288 336 A C -1.052 176.355 177.584 -0.295 0.000 1.193 336 A CA -0.558 51.174 52.037 -0.509 0.000 0.713 336 A CB 2.011 20.444 19.000 -0.945 0.000 1.305 336 A HN 1.016 nan 8.150 nan 0.000 0.424 337 C N 0.566 119.643 119.300 -0.371 0.000 2.346 337 C HA 0.854 5.319 4.460 0.008 0.000 0.326 337 C C -1.422 173.368 174.990 -0.333 0.000 1.224 337 C CA -0.897 58.063 59.018 -0.096 0.000 1.408 337 C CB -1.413 26.378 27.740 0.084 0.000 2.089 337 C HN 0.500 nan 8.230 nan 0.000 0.456 338 F N 2.678 122.593 119.950 -0.057 0.000 2.497 338 F HA 0.405 4.937 4.527 0.008 0.000 0.331 338 F C 0.464 176.262 175.800 -0.004 0.000 1.060 338 F CA -0.527 57.390 58.000 -0.137 0.000 0.989 338 F CB 0.757 39.487 39.000 -0.450 0.000 1.245 338 F HN 0.594 nan 8.300 nan 0.000 0.486 339 D N 2.455 122.990 120.400 0.225 0.000 2.382 339 D HA 0.143 4.788 4.640 0.008 0.000 0.259 339 D C -1.895 174.488 176.300 0.138 0.000 1.224 339 D CA -1.334 52.754 54.000 0.145 0.000 0.894 339 D CB 1.074 41.937 40.800 0.105 0.000 1.127 339 D HN 0.090 nan 8.370 nan 0.000 0.487 340 P HA -0.212 nan 4.420 nan 0.000 0.216 340 P C 1.346 178.700 177.300 0.091 0.000 1.153 340 P CA 0.755 63.934 63.100 0.133 0.000 0.858 340 P CB 0.198 31.964 31.700 0.111 0.000 0.789 341 V N -0.694 119.261 119.914 0.068 0.000 2.427 341 V HA -0.202 3.923 4.120 0.008 0.000 0.248 341 V C 2.596 178.710 176.094 0.034 0.000 1.051 341 V CA 2.278 64.606 62.300 0.046 0.000 1.048 341 V CB -1.493 30.352 31.823 0.037 0.000 0.666 341 V HN 0.221 nan 8.190 nan 0.000 0.456 342 S N 0.033 115.753 115.700 0.034 0.000 2.356 342 S HA -0.139 4.336 4.470 0.008 0.000 0.223 342 S C 1.978 176.575 174.600 -0.005 0.000 1.032 342 S CA 1.398 59.604 58.200 0.010 0.000 1.005 342 S CB -0.232 62.974 63.200 0.009 0.000 0.867 342 S HN 0.401 nan 8.310 nan 0.000 0.449 343 I N 2.047 122.622 120.570 0.008 0.000 2.286 343 I HA -0.096 4.079 4.170 0.008 0.000 0.248 343 I C 2.570 178.709 176.117 0.036 0.000 1.115 343 I CA 1.265 62.567 61.300 0.005 0.000 1.392 343 I CB -1.515 36.528 38.000 0.072 0.000 1.065 343 I HN 0.405 nan 8.210 nan 0.000 0.418 344 R N 1.546 122.076 120.500 0.050 0.000 2.082 344 R HA -0.202 4.143 4.340 0.008 0.000 0.234 344 R C 2.314 178.630 176.300 0.027 0.000 1.136 344 R CA 1.789 57.917 56.100 0.047 0.000 0.935 344 R CB -0.040 30.287 30.300 0.045 0.000 0.842 344 R HN 0.300 nan 8.270 nan 0.000 0.430 345 K N -0.715 119.690 120.400 0.009 0.000 2.026 345 K HA -0.081 4.244 4.320 0.008 0.000 0.208 345 K C 2.157 178.752 176.600 -0.009 0.000 1.048 345 K CA 1.985 58.263 56.287 -0.016 0.000 0.929 345 K CB -0.198 32.277 32.500 -0.041 0.000 0.713 345 K HN 0.226 nan 8.250 nan 0.000 0.439 346 T N 1.258 115.815 114.554 0.006 0.000 2.684 346 T HA -0.178 4.177 4.350 0.008 0.000 0.267 346 T C 2.015 176.785 174.700 0.117 0.000 1.036 346 T CA 1.476 63.613 62.100 0.062 0.000 1.148 346 T CB -0.337 68.531 68.868 -0.000 0.000 0.863 346 T HN 0.355 nan 8.240 nan 0.000 0.436 347 A N 1.775 124.631 122.820 0.059 0.000 1.873 347 A HA -0.204 4.121 4.320 0.008 0.000 0.218 347 A C 2.365 179.994 177.584 0.075 0.000 1.193 347 A CA 1.942 54.019 52.037 0.066 0.000 0.629 347 A CB -0.542 18.494 19.000 0.060 0.000 0.826 347 A HN 0.276 nan 8.150 nan 0.000 0.447 348 R N -0.855 119.673 120.500 0.048 0.000 2.070 348 R HA -0.082 4.263 4.340 0.008 0.000 0.232 348 R C 2.371 178.677 176.300 0.009 0.000 1.138 348 R CA 1.722 57.837 56.100 0.024 0.000 0.936 348 R CB -0.711 29.592 30.300 0.005 0.000 0.839 348 R HN 0.646 nan 8.270 nan 0.000 0.429 349 R N -0.302 120.191 120.500 -0.011 0.000 2.178 349 R HA -0.227 4.118 4.340 0.008 0.000 0.257 349 R C 0.760 176.938 176.300 -0.203 0.000 1.163 349 R CA 2.184 58.218 56.100 -0.110 0.000 0.981 349 R CB -0.252 29.972 30.300 -0.126 0.000 0.878 349 R HN 0.430 nan 8.270 nan 0.000 0.454 350 H N -2.189 116.871 119.070 -0.017 0.000 2.594 350 H HA 0.288 4.849 4.556 0.008 0.000 0.279 350 H C 0.541 175.867 175.328 -0.004 0.000 1.042 350 H CA 0.475 56.520 56.048 -0.007 0.000 1.177 350 H CB 1.314 31.073 29.762 -0.005 0.000 1.524 350 H HN 0.474 nan 8.280 nan 0.000 0.537 351 G N 1.198 110.046 108.800 0.079 0.000 2.295 351 G HA2 -0.279 3.686 3.960 0.008 0.000 0.287 351 G HA3 -0.279 3.686 3.960 0.008 0.000 0.287 351 G C -0.314 174.619 174.900 0.055 0.000 1.055 351 G CA 0.123 45.253 45.100 0.050 0.000 0.922 351 G HN 0.323 nan 8.290 nan 0.000 0.503 352 L N -0.423 120.838 121.223 0.063 0.000 2.346 352 L HA 0.786 5.131 4.340 0.008 0.000 0.276 352 L C 0.371 177.265 176.870 0.041 0.000 1.006 352 L CA -1.234 53.633 54.840 0.044 0.000 0.817 352 L CB 2.032 44.113 42.059 0.036 0.000 1.272 352 L HN 0.152 nan 8.230 nan 0.000 0.421 353 R N 2.379 122.897 120.500 0.031 0.000 2.521 353 R HA 0.429 4.774 4.340 0.008 0.000 0.295 353 R C -1.128 175.187 176.300 0.025 0.000 1.183 353 R CA -0.246 55.874 56.100 0.033 0.000 0.957 353 R CB 1.529 31.836 30.300 0.012 0.000 1.171 353 R HN 0.808 nan 8.270 nan 0.000 0.494 354 T N -0.659 113.924 114.554 0.048 0.000 2.926 354 T HA 0.366 4.721 4.350 0.008 0.000 0.289 354 T C 0.862 175.600 174.700 0.064 0.000 1.054 354 T CA -0.653 61.471 62.100 0.040 0.000 1.015 354 T CB 1.623 70.512 68.868 0.034 0.000 1.167 354 T HN 0.362 nan 8.240 nan 0.000 0.526 355 E N 0.419 120.644 120.200 0.042 0.000 2.118 355 E HA -0.113 4.242 4.350 0.008 0.000 0.195 355 E C 2.208 178.839 176.600 0.052 0.000 0.992 355 E CA 1.607 58.035 56.400 0.047 0.000 0.804 355 E CB -0.731 28.980 29.700 0.019 0.000 0.741 355 E HN 0.772 nan 8.360 nan 0.000 0.458 356 A N 1.500 124.357 122.820 0.061 0.000 1.840 356 A HA -0.164 4.161 4.320 0.008 0.000 0.214 356 A C 2.486 180.174 177.584 0.173 0.000 1.198 356 A CA 2.225 54.314 52.037 0.088 0.000 0.608 356 A CB -0.811 18.302 19.000 0.190 0.000 0.839 356 A HN 0.356 nan 8.150 nan 0.000 0.443 357 S N -0.348 115.478 115.700 0.210 0.000 2.365 357 S HA -0.349 4.126 4.470 0.008 0.000 0.225 357 S C 1.920 176.641 174.600 0.201 0.000 1.039 357 S CA 1.956 60.294 58.200 0.231 0.000 1.033 357 S CB -1.028 62.259 63.200 0.146 0.000 0.887 357 S HN 0.726 nan 8.310 nan 0.000 0.447 358 H N 2.201 121.304 119.070 0.055 0.000 2.321 358 H HA -0.051 4.510 4.556 0.008 0.000 0.295 358 H C 2.337 177.668 175.328 0.004 0.000 1.102 358 H CA 2.366 58.430 56.048 0.027 0.000 1.266 358 H CB -0.296 29.468 29.762 0.003 0.000 1.363 358 H HN 0.423 nan 8.280 nan 0.000 0.492 359 R N -1.281 119.147 120.500 -0.120 0.000 2.075 359 R HA -0.085 4.260 4.340 0.008 0.000 0.232 359 R C 2.267 178.440 176.300 -0.212 0.000 1.126 359 R CA 1.351 57.290 56.100 -0.268 0.000 0.963 359 R CB -0.302 29.795 30.300 -0.338 0.000 0.858 359 R HN 0.290 nan 8.270 nan 0.000 0.435 360 F N 1.484 121.459 119.950 0.041 0.000 2.216 360 F HA -0.112 4.420 4.527 0.008 0.000 0.300 360 F C 2.158 177.990 175.800 0.053 0.000 1.085 360 F CA 1.157 59.211 58.000 0.089 0.000 1.326 360 F CB -0.299 38.809 39.000 0.180 0.000 1.027 360 F HN 0.056 nan 8.300 nan 0.000 0.497 361 E N -0.375 119.934 120.200 0.182 0.000 2.072 361 E HA -0.186 4.169 4.350 0.008 0.000 0.191 361 E C 2.155 178.777 176.600 0.036 0.000 0.985 361 E CA 0.908 57.370 56.400 0.103 0.000 0.801 361 E CB -0.138 29.610 29.700 0.080 0.000 0.750 361 E HN 0.203 nan 8.360 nan 0.000 0.452 362 R N -0.318 120.150 120.500 -0.054 0.000 2.236 362 R HA 0.097 4.442 4.340 0.008 0.000 0.208 362 R C 0.182 176.468 176.300 -0.023 0.000 1.036 362 R CA 0.710 56.764 56.100 -0.078 0.000 1.001 362 R CB 0.653 30.833 30.300 -0.199 0.000 0.896 362 R HN 0.206 nan 8.270 nan 0.000 0.464 363 G N -0.993 107.816 108.800 0.016 0.000 2.770 363 G HA2 -0.076 3.889 3.960 0.008 0.000 0.686 363 G HA3 -0.076 3.889 3.960 0.008 0.000 0.686 363 G C -1.242 173.670 174.900 0.021 0.000 1.180 363 G CA -0.833 44.298 45.100 0.051 0.000 0.767 363 G HN 0.035 nan 8.290 nan 0.000 0.646 364 V N 2.055 122.011 119.914 0.070 0.000 2.864 364 V HA 0.577 4.702 4.120 0.008 0.000 0.314 364 V C 0.157 176.286 176.094 0.059 0.000 1.073 364 V CA -0.563 61.758 62.300 0.034 0.000 0.956 364 V CB 1.952 33.817 31.823 0.069 0.000 1.023 364 V HN 1.002 nan 8.190 nan 0.000 0.435 365 D N 5.898 126.324 120.400 0.044 0.000 2.479 365 D HA 0.025 4.669 4.640 0.008 0.000 0.257 365 D C -1.072 175.275 176.300 0.077 0.000 1.230 365 D CA -1.299 52.740 54.000 0.065 0.000 0.912 365 D CB 1.359 42.201 40.800 0.070 0.000 1.130 365 D HN 0.281 nan 8.370 nan 0.000 0.515 366 P HA -0.139 nan 4.420 nan 0.000 0.222 366 P C 0.697 178.031 177.300 0.057 0.000 1.142 366 P CA 0.906 64.045 63.100 0.064 0.000 0.788 366 P CB 0.286 32.001 31.700 0.024 0.000 0.767 367 L N -1.645 119.611 121.223 0.055 0.000 3.288 367 L HA 0.402 4.746 4.340 0.008 0.000 0.293 367 L C 1.747 178.669 176.870 0.087 0.000 1.294 367 L CA -0.133 54.737 54.840 0.050 0.000 1.006 367 L CB 0.391 42.449 42.059 -0.002 0.000 1.407 367 L HN -0.114 nan 8.230 nan 0.000 0.592 368 G N -1.063 107.795 108.800 0.096 0.000 2.887 368 G HA2 -0.043 3.922 3.960 0.008 0.000 0.211 368 G HA3 -0.043 3.922 3.960 0.008 0.000 0.211 368 G C 1.140 176.070 174.900 0.050 0.000 1.152 368 G CA 0.040 45.174 45.100 0.058 0.000 0.769 368 G HN 0.193 nan 8.290 nan 0.000 0.541 369 Q N 0.764 120.610 119.800 0.075 0.000 2.014 369 Q HA -0.118 4.227 4.340 0.008 0.000 0.207 369 Q C 2.768 178.769 176.000 0.002 0.000 0.993 369 Q CA 1.682 57.485 55.803 0.000 0.000 0.850 369 Q CB -0.964 27.699 28.738 -0.125 0.000 0.916 369 Q HN 0.293 nan 8.270 nan 0.000 0.417 370 V N 1.023 120.966 119.914 0.049 0.000 2.287 370 V HA -0.220 3.905 4.120 0.008 0.000 0.248 370 V C -0.891 175.221 176.094 0.030 0.000 1.053 370 V CA 2.185 64.510 62.300 0.042 0.000 1.027 370 V CB -1.549 30.318 31.823 0.072 0.000 0.646 370 V HN 0.310 nan 8.190 nan 0.000 0.447 371 P HA -0.116 nan 4.420 nan 0.000 0.217 371 P C 1.659 178.966 177.300 0.012 0.000 1.150 371 P CA 1.861 64.971 63.100 0.018 0.000 0.832 371 P CB -0.141 31.566 31.700 0.011 0.000 0.787 372 A N -0.440 122.384 122.820 0.007 0.000 1.930 372 A HA -0.223 4.102 4.320 0.008 0.000 0.217 372 A C 2.265 179.857 177.584 0.013 0.000 1.175 372 A CA 1.308 53.348 52.037 0.005 0.000 0.627 372 A CB -1.148 17.849 19.000 -0.005 0.000 0.815 372 A HN 0.117 nan 8.150 nan 0.000 0.443 373 Q N -0.330 119.475 119.800 0.009 0.000 2.124 373 Q HA -0.145 4.200 4.340 0.008 0.000 0.202 373 Q C 2.269 178.284 176.000 0.024 0.000 0.977 373 Q CA 1.270 57.082 55.803 0.014 0.000 0.850 373 Q CB -0.259 28.486 28.738 0.012 0.000 0.901 373 Q HN 0.670 nan 8.270 nan 0.000 0.429 374 R N 0.086 120.600 120.500 0.024 0.000 2.075 374 R HA -0.023 4.321 4.340 0.008 0.000 0.232 374 R C 2.304 178.620 176.300 0.026 0.000 1.126 374 R CA 0.376 56.489 56.100 0.023 0.000 0.963 374 R CB -0.278 30.034 30.300 0.021 0.000 0.858 374 R HN 0.119 nan 8.270 nan 0.000 0.435 375 R N 1.088 121.608 120.500 0.033 0.000 2.080 375 R HA -0.102 4.242 4.340 0.008 0.000 0.236 375 R C 2.176 178.512 176.300 0.061 0.000 1.137 375 R CA 1.887 58.019 56.100 0.053 0.000 0.943 375 R CB -0.510 29.828 30.300 0.064 0.000 0.846 375 R HN 0.231 nan 8.270 nan 0.000 0.431 376 A N 0.959 123.812 122.820 0.054 0.000 1.858 376 A HA -0.136 4.189 4.320 0.008 0.000 0.216 376 A C 2.451 180.049 177.584 0.024 0.000 1.190 376 A CA 1.277 53.343 52.037 0.049 0.000 0.617 376 A CB -0.682 18.343 19.000 0.041 0.000 0.827 376 A HN 0.310 nan 8.150 nan 0.000 0.443 377 L N -0.416 120.817 121.223 0.017 0.000 2.131 377 L HA -0.165 4.179 4.340 0.008 0.000 0.210 377 L C 2.927 179.789 176.870 -0.013 0.000 1.092 377 L CA 1.424 56.263 54.840 -0.001 0.000 0.759 377 L CB -0.388 41.675 42.059 0.007 0.000 0.903 377 L HN 0.539 nan 8.230 nan 0.000 0.435 378 S N 0.201 115.901 115.700 0.001 0.000 2.356 378 S HA -0.160 4.315 4.470 0.008 0.000 0.223 378 S C 2.014 176.611 174.600 -0.005 0.000 1.032 378 S CA 1.203 59.401 58.200 -0.003 0.000 1.005 378 S CB -0.200 63.006 63.200 0.010 0.000 0.867 378 S HN 0.322 nan 8.310 nan 0.000 0.449 379 L N 0.955 122.185 121.223 0.012 0.000 2.093 379 L HA -0.028 4.317 4.340 0.008 0.000 0.208 379 L C 2.459 179.316 176.870 -0.022 0.000 1.085 379 L CA 0.949 55.795 54.840 0.010 0.000 0.755 379 L CB -0.417 41.662 42.059 0.034 0.000 0.904 379 L HN 0.364 nan 8.230 nan 0.000 0.435 380 L N -0.786 120.419 121.223 -0.029 0.000 2.083 380 L HA -0.256 4.089 4.340 0.008 0.000 0.209 380 L C 2.633 179.462 176.870 -0.069 0.000 1.083 380 L CA 1.305 56.114 54.840 -0.052 0.000 0.752 380 L CB -0.480 41.547 42.059 -0.053 0.000 0.899 380 L HN 0.384 nan 8.230 nan 0.000 0.433 381 Q N 0.043 119.802 119.800 -0.068 0.000 2.084 381 Q HA -0.203 4.142 4.340 0.008 0.000 0.202 381 Q C 2.248 178.209 176.000 -0.065 0.000 0.978 381 Q CA 1.831 57.584 55.803 -0.083 0.000 0.844 381 Q CB -0.038 28.653 28.738 -0.077 0.000 0.898 381 Q HN 0.502 nan 8.270 nan 0.000 0.426 382 A N -0.421 122.373 122.820 -0.043 0.000 1.968 382 A HA -0.064 4.261 4.320 0.008 0.000 0.217 382 A C 1.572 179.139 177.584 -0.028 0.000 1.169 382 A CA 0.955 52.974 52.037 -0.029 0.000 0.638 382 A CB 0.021 19.015 19.000 -0.010 0.000 0.812 382 A HN 0.392 nan 8.150 nan 0.000 0.446 383 L N -2.439 118.759 121.223 -0.041 0.000 2.609 383 L HA 0.386 4.731 4.340 0.008 0.000 0.230 383 L C 1.920 178.750 176.870 -0.065 0.000 1.087 383 L CA 1.153 55.960 54.840 -0.056 0.000 0.874 383 L CB -0.003 42.003 42.059 -0.088 0.000 1.114 383 L HN 0.302 nan 8.230 nan 0.000 0.488 384 A N -1.048 121.731 122.820 -0.068 0.000 2.571 384 A HA 0.553 4.878 4.320 0.008 0.000 0.274 384 A C 1.428 178.966 177.584 -0.077 0.000 1.196 384 A CA 0.319 52.314 52.037 -0.068 0.000 0.957 384 A CB -0.361 18.597 19.000 -0.070 0.000 1.150 384 A HN 0.307 nan 8.150 nan 0.000 0.539 385 G N 0.003 108.757 108.800 -0.078 0.000 2.356 385 G HA2 0.058 4.023 3.960 0.008 0.000 0.296 385 G HA3 0.058 4.023 3.960 0.008 0.000 0.296 385 G C 0.452 175.270 174.900 -0.136 0.000 1.022 385 G CA 0.563 45.608 45.100 -0.091 0.000 0.961 385 G HN 1.631 nan 8.290 nan 0.000 0.510 386 A N -0.162 122.565 122.820 -0.155 0.000 2.388 386 A HA 0.740 5.064 4.320 0.008 0.000 0.257 386 A C 0.814 178.198 177.584 -0.333 0.000 1.095 386 A CA -0.259 51.635 52.037 -0.238 0.000 0.791 386 A CB 0.490 19.373 19.000 -0.194 0.000 1.029 386 A HN 0.566 nan 8.150 nan 0.000 0.489 387 R N 1.028 121.167 120.500 -0.601 0.000 2.312 387 R HA 0.534 4.879 4.340 0.008 0.000 0.311 387 R C -1.190 174.645 176.300 -0.775 0.000 1.004 387 R CA -0.416 55.227 56.100 -0.763 0.000 0.902 387 R CB 1.560 31.095 30.300 -1.275 0.000 1.073 387 R HN 0.468 nan 8.270 nan 0.000 0.457 388 V N 2.125 121.827 119.914 -0.353 0.000 2.680 388 V HA 0.494 4.618 4.120 0.008 0.000 0.309 388 V C 0.135 176.252 176.094 0.038 0.000 1.052 388 V CA -1.045 61.163 62.300 -0.153 0.000 0.908 388 V CB 1.834 33.604 31.823 -0.087 0.000 1.001 388 V HN 0.930 nan 8.190 nan 0.000 0.431 389 A N 2.163 125.075 122.820 0.154 0.000 2.351 389 A HA 0.380 4.705 4.320 0.008 0.000 0.257 389 A C 1.087 178.754 177.584 0.138 0.000 1.087 389 A CA 0.005 52.182 52.037 0.233 0.000 0.798 389 A CB 0.295 19.532 19.000 0.394 0.000 1.033 389 A HN 1.023 nan 8.150 nan 0.000 0.488 390 E N 0.965 121.231 120.200 0.111 0.000 2.072 390 E HA 0.054 4.409 4.350 0.008 0.000 0.190 390 E C 0.970 177.611 176.600 0.069 0.000 0.982 390 E CA 0.945 57.389 56.400 0.073 0.000 0.803 390 E CB -0.001 29.734 29.700 0.058 0.000 0.755 390 E HN 0.835 nan 8.360 nan 0.000 0.453 391 A N 0.307 123.170 122.820 0.072 0.000 2.264 391 A HA 0.573 4.898 4.320 0.008 0.000 0.304 391 A C -0.539 177.087 177.584 0.070 0.000 1.100 391 A CA -0.496 51.575 52.037 0.056 0.000 0.839 391 A CB 0.616 19.634 19.000 0.030 0.000 1.121 391 A HN 0.251 nan 8.150 nan 0.000 0.496 392 L N -0.143 121.116 121.223 0.060 0.000 2.279 392 L HA 0.499 4.844 4.340 0.008 0.000 0.262 392 L C -1.189 175.716 176.870 0.058 0.000 1.019 392 L CA -1.011 53.874 54.840 0.074 0.000 0.823 392 L CB 1.664 43.763 42.059 0.066 0.000 1.358 392 L HN 0.474 nan 8.230 nan 0.000 0.432 393 L N 1.597 122.872 121.223 0.087 0.000 2.280 393 L HA 0.432 4.777 4.340 0.008 0.000 0.287 393 L C -0.329 176.615 176.870 0.125 0.000 1.023 393 L CA 0.234 55.133 54.840 0.098 0.000 0.819 393 L CB 1.175 43.321 42.059 0.145 0.000 1.212 393 L HN 0.486 nan 8.230 nan 0.000 0.420 394 E N 2.423 122.690 120.200 0.110 0.000 2.248 394 E HA 0.829 5.184 4.350 0.008 0.000 0.267 394 E C -1.536 175.151 176.600 0.145 0.000 0.877 394 E CA -0.820 55.651 56.400 0.118 0.000 0.759 394 E CB 2.007 31.775 29.700 0.114 0.000 1.182 394 E HN 0.625 nan 8.360 nan 0.000 0.418 395 A N 2.773 125.701 122.820 0.180 0.000 2.359 395 A HA 0.809 5.134 4.320 0.008 0.000 0.303 395 A C -0.242 177.480 177.584 0.231 0.000 1.066 395 A CA 0.037 52.175 52.037 0.169 0.000 0.730 395 A CB 1.385 20.468 19.000 0.139 0.000 1.211 395 A HN 0.881 nan 8.150 nan 0.000 0.439 396 G N 0.101 109.012 108.800 0.186 0.000 2.784 396 G HA2 0.381 4.346 3.960 0.008 0.000 0.686 396 G HA3 0.381 4.346 3.960 0.008 0.000 0.686 396 G C -0.328 174.643 174.900 0.118 0.000 1.156 396 G CA -0.036 45.171 45.100 0.177 0.000 0.757 396 G HN 1.931 nan 8.290 nan 0.000 0.642 397 S N 2.661 118.361 115.700 -0.000 0.000 2.279 397 S HA 0.656 5.131 4.470 0.008 0.000 0.176 397 S C -1.956 172.575 174.600 -0.115 0.000 1.554 397 S CA -0.649 57.504 58.200 -0.079 0.000 1.242 397 S CB 0.722 63.910 63.200 -0.021 0.000 1.163 397 S HN 0.633 nan 8.310 nan 0.000 0.449 398 P HA 0.250 nan 4.420 nan 0.000 0.269 398 P C -0.663 176.578 177.300 -0.099 0.000 1.209 398 P CA -0.322 62.694 63.100 -0.141 0.000 0.776 398 P CB 0.463 32.049 31.700 -0.190 0.000 0.876 399 K N 2.887 123.254 120.400 -0.055 0.000 2.143 399 K HA 0.446 4.771 4.320 0.008 0.000 0.272 399 K C -2.107 174.473 176.600 -0.033 0.000 1.001 399 K CA -1.895 54.370 56.287 -0.038 0.000 0.915 399 K CB -0.362 32.125 32.500 -0.021 0.000 1.047 399 K HN 0.306 nan 8.250 nan 0.000 0.458 400 P HA 0.142 nan 4.420 nan 0.000 0.271 400 P C -2.261 175.029 177.300 -0.016 0.000 1.244 400 P CA -0.740 62.348 63.100 -0.020 0.000 0.793 400 P CB -0.251 31.441 31.700 -0.014 0.000 0.984 401 P HA 0.197 nan 4.420 nan 0.000 0.276 401 P C -0.610 176.685 177.300 -0.008 0.000 1.244 401 P CA -0.172 62.919 63.100 -0.016 0.000 0.801 401 P CB 0.938 32.622 31.700 -0.027 0.000 1.006 402 E N 0.029 120.228 120.200 -0.003 0.000 2.314 402 E HA 0.469 4.824 4.350 0.008 0.000 0.262 402 E C 0.035 176.641 176.600 0.010 0.000 1.093 402 E CA -0.879 55.524 56.400 0.005 0.000 0.908 402 E CB 0.753 30.458 29.700 0.007 0.000 1.091 402 E HN 0.507 nan 8.360 nan 0.000 0.425 403 A N 2.076 124.907 122.820 0.019 0.000 2.445 403 A HA 0.272 4.597 4.320 0.008 0.000 0.242 403 A C -0.362 177.246 177.584 0.041 0.000 1.075 403 A CA -0.146 51.910 52.037 0.031 0.000 0.777 403 A CB 0.171 19.195 19.000 0.040 0.000 1.013 403 A HN 0.373 nan 8.150 nan 0.000 0.493 404 I N 3.298 123.902 120.570 0.057 0.000 2.406 404 I HA 0.340 4.515 4.170 0.008 0.000 0.290 404 I C -2.371 173.823 176.117 0.128 0.000 0.999 404 I CA -2.594 58.752 61.300 0.077 0.000 1.124 404 I CB 1.482 39.524 38.000 0.070 0.000 1.289 404 I HN 0.428 nan 8.210 nan 0.000 0.441 405 P HA 0.230 nan 4.420 nan 0.000 0.276 405 P C -1.109 176.343 177.300 0.254 0.000 1.235 405 P CA 0.000 63.190 63.100 0.150 0.000 0.772 405 P CB 0.915 32.659 31.700 0.072 0.000 0.871 406 F N 4.252 124.281 119.950 0.131 0.000 2.547 406 F HA 0.517 5.049 4.527 0.008 0.000 0.316 406 F C -0.631 175.309 175.800 0.233 0.000 1.121 406 F CA -1.144 56.955 58.000 0.166 0.000 0.911 406 F CB 2.133 41.217 39.000 0.140 0.000 1.179 406 F HN 0.137 nan 8.300 nan 0.000 0.443 407 R N 6.901 127.011 120.500 -0.650 0.000 2.371 407 R HA 0.357 4.701 4.340 0.008 0.000 0.312 407 R C -2.272 173.627 176.300 -0.669 0.000 0.980 407 R CA -1.679 54.147 56.100 -0.457 0.000 0.867 407 R CB 1.320 31.535 30.300 -0.143 0.000 1.163 407 R HN 0.345 nan 8.270 nan 0.000 0.492 408 P HA -0.301 nan 4.420 nan 0.000 0.217 408 P C 0.999 178.239 177.300 -0.099 0.000 1.151 408 P CA 1.145 64.087 63.100 -0.262 0.000 0.849 408 P CB 0.400 32.100 31.700 0.000 0.000 0.787 409 E N -1.314 118.849 120.200 -0.061 0.000 2.077 409 E HA -0.217 4.138 4.350 0.008 0.000 0.193 409 E C 1.914 178.530 176.600 0.026 0.000 0.989 409 E CA 1.206 57.602 56.400 -0.008 0.000 0.800 409 E CB -0.656 29.046 29.700 0.003 0.000 0.746 409 E HN 0.232 nan 8.360 nan 0.000 0.452 410 Y N 0.957 121.185 120.300 -0.121 0.000 2.200 410 Y HA -0.073 4.482 4.550 0.008 0.000 0.290 410 Y C 2.178 178.052 175.900 -0.042 0.000 1.137 410 Y CA 1.598 59.649 58.100 -0.082 0.000 1.163 410 Y CB -0.772 37.634 38.460 -0.091 0.000 0.988 410 Y HN 0.067 nan 8.280 nan 0.000 0.518 411 A N 0.848 123.584 122.820 -0.141 0.000 1.873 411 A HA -0.270 4.055 4.320 0.008 0.000 0.218 411 A C 2.177 179.695 177.584 -0.110 0.000 1.193 411 A CA 2.115 54.088 52.037 -0.106 0.000 0.629 411 A CB -0.954 18.151 19.000 0.174 0.000 0.826 411 A HN 0.597 nan 8.150 nan 0.000 0.447 412 N N -0.873 117.792 118.700 -0.058 0.000 2.223 412 N HA -0.124 4.620 4.740 0.008 0.000 0.185 412 N C 1.873 177.305 175.510 -0.130 0.000 1.016 412 N CA 1.249 54.239 53.050 -0.100 0.000 0.863 412 N CB -0.350 38.090 38.487 -0.078 0.000 0.983 412 N HN 0.582 nan 8.380 nan 0.000 0.429 413 R N 0.236 120.666 120.500 -0.116 0.000 2.090 413 R HA 0.003 4.348 4.340 0.008 0.000 0.228 413 R C 2.036 178.250 176.300 -0.143 0.000 1.110 413 R CA 0.567 56.614 56.100 -0.089 0.000 0.973 413 R CB -0.156 30.145 30.300 0.001 0.000 0.869 413 R HN 0.071 nan 8.270 nan 0.000 0.440 414 L N 0.606 121.650 121.223 -0.297 0.000 2.109 414 L HA -0.033 4.312 4.340 0.008 0.000 0.207 414 L C 1.654 178.405 176.870 -0.199 0.000 1.086 414 L CA 1.604 56.256 54.840 -0.314 0.000 0.760 414 L CB -0.071 41.620 42.059 -0.614 0.000 0.910 414 L HN 0.177 nan 8.230 nan 0.000 0.437 415 L N -0.880 120.233 121.223 -0.185 0.000 2.270 415 L HA 0.241 4.586 4.340 0.008 0.000 0.210 415 L C 1.566 178.349 176.870 -0.144 0.000 1.104 415 L CA 0.658 55.409 54.840 -0.147 0.000 0.804 415 L CB -0.569 41.428 42.059 -0.104 0.000 0.937 415 L HN 0.481 nan 8.230 nan 0.000 0.450 416 G N 0.850 109.562 108.800 -0.146 0.000 2.132 416 G HA2 -0.253 3.712 3.960 0.008 0.000 0.228 416 G HA3 -0.253 3.712 3.960 0.008 0.000 0.228 416 G C 0.323 175.118 174.900 -0.175 0.000 1.000 416 G CA 0.338 45.360 45.100 -0.130 0.000 0.693 416 G HN 0.398 nan 8.290 nan 0.000 0.515 417 T N -2.488 111.911 114.554 -0.259 0.000 2.889 417 T HA 0.767 5.122 4.350 0.008 0.000 0.278 417 T C 0.720 175.190 174.700 -0.383 0.000 0.995 417 T CA 0.372 62.210 62.100 -0.437 0.000 0.966 417 T CB 1.962 70.286 68.868 -0.908 0.000 1.237 417 T HN 1.400 nan 8.240 nan 0.000 0.591 418 S N -0.595 114.835 115.700 -0.450 0.000 2.694 418 S HA 0.288 4.763 4.470 0.008 0.000 0.232 418 S C -1.080 173.438 174.600 -0.136 0.000 1.017 418 S CA -0.878 57.188 58.200 -0.223 0.000 1.139 418 S CB -0.889 62.238 63.200 -0.123 0.000 1.247 418 S HN 0.586 nan 8.310 nan 0.000 0.452 419 Y N 3.336 123.641 120.300 0.009 0.000 2.526 419 Y HA 0.347 4.902 4.550 0.008 0.000 0.330 419 Y C -2.060 173.853 175.900 0.022 0.000 1.156 419 Y CA -2.221 55.889 58.100 0.017 0.000 1.419 419 Y CB -0.141 38.335 38.460 0.028 0.000 1.250 419 Y HN 0.278 nan 8.280 nan 0.000 0.540 420 P HA -0.038 nan 4.420 nan 0.000 0.267 420 P C 0.659 178.025 177.300 0.110 0.000 1.205 420 P CA 0.070 63.235 63.100 0.109 0.000 0.765 420 P CB 1.007 32.754 31.700 0.079 0.000 0.828 421 E N 3.509 123.768 120.200 0.098 0.000 2.172 421 E HA -0.337 4.017 4.350 0.008 0.000 0.213 421 E C 1.806 178.444 176.600 0.063 0.000 1.051 421 E CA 2.287 58.745 56.400 0.096 0.000 0.860 421 E CB -0.337 29.426 29.700 0.105 0.000 0.755 421 E HN 0.564 nan 8.360 nan 0.000 0.462 422 A N 0.686 123.535 122.820 0.048 0.000 1.940 422 A HA -0.252 4.073 4.320 0.008 0.000 0.219 422 A C 1.899 179.486 177.584 0.004 0.000 1.176 422 A CA 1.832 53.881 52.037 0.020 0.000 0.631 422 A CB -0.521 18.494 19.000 0.024 0.000 0.814 422 A HN 0.380 nan 8.150 nan 0.000 0.446 423 E N -0.455 119.755 120.200 0.017 0.000 2.110 423 E HA -0.223 4.132 4.350 0.008 0.000 0.193 423 E C 2.306 178.887 176.600 -0.032 0.000 0.988 423 E CA 1.294 57.686 56.400 -0.014 0.000 0.804 423 E CB -0.207 29.488 29.700 -0.008 0.000 0.745 423 E HN 0.740 nan 8.360 nan 0.000 0.458 424 Q N 0.279 120.090 119.800 0.019 0.000 2.020 424 Q HA -0.173 4.172 4.340 0.008 0.000 0.202 424 Q C 2.346 178.327 176.000 -0.031 0.000 0.982 424 Q CA 1.024 56.851 55.803 0.040 0.000 0.838 424 Q CB -0.064 28.809 28.738 0.224 0.000 0.899 424 Q HN 0.287 nan 8.270 nan 0.000 0.423 425 I N 0.936 121.482 120.570 -0.041 0.000 2.163 425 I HA -0.268 3.907 4.170 0.008 0.000 0.243 425 I C 2.466 178.522 176.117 -0.101 0.000 1.085 425 I CA 1.457 62.685 61.300 -0.120 0.000 1.347 425 I CB -1.620 36.282 38.000 -0.163 0.000 1.044 425 I HN 0.147 nan 8.210 nan 0.000 0.408 426 A N 1.234 124.010 122.820 -0.072 0.000 1.892 426 A HA -0.222 4.103 4.320 0.008 0.000 0.218 426 A C 2.419 179.955 177.584 -0.081 0.000 1.188 426 A CA 1.780 53.778 52.037 -0.065 0.000 0.631 426 A CB -0.908 18.059 19.000 -0.055 0.000 0.822 426 A HN 0.386 nan 8.150 nan 0.000 0.447 427 I N -0.281 120.232 120.570 -0.096 0.000 2.127 427 I HA -0.295 3.880 4.170 0.008 0.000 0.241 427 I C 2.387 178.441 176.117 -0.105 0.000 1.075 427 I CA 1.463 62.700 61.300 -0.106 0.000 1.334 427 I CB -0.381 37.546 38.000 -0.122 0.000 1.040 427 I HN 0.319 nan 8.210 nan 0.000 0.405 428 L N 0.269 121.407 121.223 -0.143 0.000 2.127 428 L HA -0.247 4.097 4.340 0.008 0.000 0.211 428 L C 2.512 179.323 176.870 -0.098 0.000 1.089 428 L CA 1.455 56.197 54.840 -0.162 0.000 0.757 428 L CB -0.662 41.239 42.059 -0.263 0.000 0.899 428 L HN 0.255 nan 8.230 nan 0.000 0.434 429 K N -0.160 120.194 120.400 -0.077 0.000 2.062 429 K HA -0.092 4.233 4.320 0.008 0.000 0.205 429 K C 2.226 178.828 176.600 0.003 0.000 1.051 429 K CA 0.855 57.121 56.287 -0.035 0.000 0.941 429 K CB -0.076 32.406 32.500 -0.030 0.000 0.719 429 K HN 0.246 nan 8.250 nan 0.000 0.440 430 R N 0.767 121.260 120.500 -0.012 0.000 2.152 430 R HA -0.049 4.296 4.340 0.008 0.000 0.232 430 R C 1.825 178.188 176.300 0.104 0.000 1.117 430 R CA 0.840 56.954 56.100 0.024 0.000 0.981 430 R CB -0.175 30.056 30.300 -0.114 0.000 0.870 430 R HN 0.174 nan 8.270 nan 0.000 0.451 431 L N -0.425 120.824 121.223 0.044 0.000 2.627 431 L HA 0.144 4.489 4.340 0.008 0.000 0.233 431 L C 1.086 177.998 176.870 0.070 0.000 1.144 431 L CA 0.372 55.250 54.840 0.064 0.000 0.892 431 L CB 0.267 42.329 42.059 0.006 0.000 1.039 431 L HN 0.402 nan 8.230 nan 0.000 0.442 432 G N -1.112 107.726 108.800 0.064 0.000 2.141 432 G HA2 -0.249 3.716 3.960 0.008 0.000 0.242 432 G HA3 -0.249 3.716 3.960 0.008 0.000 0.242 432 G C 0.282 175.183 174.900 0.001 0.000 0.982 432 G CA -0.105 45.029 45.100 0.056 0.000 0.662 432 G HN 0.320 nan 8.290 nan 0.000 0.527 433 C N 0.077 119.360 119.300 -0.029 0.000 2.520 433 C HA 0.711 5.176 4.460 0.008 0.000 0.376 433 C C 1.113 176.085 174.990 -0.030 0.000 1.268 433 C CA -0.419 58.569 59.018 -0.050 0.000 2.414 433 C CB 0.948 28.636 27.740 -0.087 0.000 2.521 433 C HN 0.610 nan 8.230 nan 0.000 0.618 434 R N 0.768 121.256 120.500 -0.021 0.000 2.460 434 R HA 0.679 5.024 4.340 0.008 0.000 0.303 434 R C -1.591 174.713 176.300 0.005 0.000 0.968 434 R CA -0.244 55.855 56.100 -0.002 0.000 0.889 434 R CB 0.956 31.261 30.300 0.009 0.000 1.123 434 R HN 0.623 nan 8.270 nan 0.000 0.455 435 V N 3.754 123.677 119.914 0.015 0.000 2.444 435 V HA 0.390 4.515 4.120 0.008 0.000 0.294 435 V C -0.536 175.617 176.094 0.099 0.000 1.022 435 V CA -0.737 61.589 62.300 0.043 0.000 0.850 435 V CB 1.672 33.481 31.823 -0.023 0.000 0.992 435 V HN 0.840 nan 8.190 nan 0.000 0.426 436 E N 2.211 122.505 120.200 0.156 0.000 2.299 436 E HA 0.794 5.149 4.350 0.008 0.000 0.265 436 E C 0.201 176.937 176.600 0.227 0.000 0.911 436 E CA -0.193 56.301 56.400 0.157 0.000 0.789 436 E CB 2.376 32.134 29.700 0.097 0.000 1.246 436 E HN 1.119 nan 8.360 nan 0.000 0.427 437 G N 1.086 109.977 108.800 0.151 0.000 2.710 437 G HA2 -0.213 3.752 3.960 0.008 0.000 0.668 437 G HA3 -0.213 3.752 3.960 0.008 0.000 0.668 437 G C -0.225 174.728 174.900 0.089 0.000 1.320 437 G CA -0.149 44.990 45.100 0.066 0.000 0.860 437 G HN 0.674 nan 8.290 nan 0.000 0.538 438 E N -0.151 119.984 120.200 -0.109 0.000 2.812 438 E HA 0.469 4.824 4.350 0.008 0.000 0.211 438 E C 0.923 177.315 176.600 -0.347 0.000 0.986 438 E CA 0.122 56.489 56.400 -0.055 0.000 1.119 438 E CB 0.878 30.588 29.700 0.017 0.000 1.046 438 E HN 2.434 nan 8.360 nan 0.000 0.474 439 G N 3.223 111.431 108.800 -0.987 0.000 2.707 439 G HA2 -0.190 3.775 3.960 0.008 0.000 0.686 439 G HA3 -0.190 3.775 3.960 0.008 0.000 0.686 439 G C -1.875 172.805 174.900 -0.366 0.000 1.315 439 G CA -0.370 44.220 45.100 -0.851 0.000 0.832 439 G HN 0.087 nan 8.290 nan 0.000 0.573 440 P HA 0.142 nan 4.420 nan 0.000 0.241 440 P C 0.689 177.862 177.300 -0.212 0.000 1.191 440 P CA 1.657 64.646 63.100 -0.185 0.000 0.771 440 P CB 0.336 31.985 31.700 -0.085 0.000 0.929 441 T N -0.735 113.652 114.554 -0.279 0.000 2.833 441 T HA 0.402 4.757 4.350 0.008 0.000 0.297 441 T C -0.791 173.805 174.700 -0.173 0.000 1.015 441 T CA -0.680 61.334 62.100 -0.144 0.000 0.963 441 T CB 0.260 69.081 68.868 -0.077 0.000 0.955 441 T HN -0.209 nan 8.240 nan 0.000 0.449 442 Y N 2.480 122.820 120.300 0.066 0.000 2.334 442 Y HA 0.655 5.210 4.550 0.008 0.000 0.325 442 Y C 1.142 177.110 175.900 0.113 0.000 1.308 442 Y CA -1.225 56.939 58.100 0.107 0.000 1.389 442 Y CB 0.744 39.308 38.460 0.173 0.000 1.328 442 Y HN 0.287 nan 8.280 nan 0.000 0.532 443 R N 1.328 121.989 120.500 0.269 0.000 2.247 443 R HA 0.388 4.733 4.340 0.008 0.000 0.329 443 R C -1.589 174.804 176.300 0.156 0.000 1.014 443 R CA -0.608 55.591 56.100 0.165 0.000 0.907 443 R CB 0.555 30.917 30.300 0.104 0.000 1.146 443 R HN 0.395 nan 8.270 nan 0.000 0.499 444 V N 2.767 122.764 119.914 0.138 0.000 2.328 444 V HA 0.259 4.384 4.120 0.008 0.000 0.278 444 V C 0.540 176.651 176.094 0.027 0.000 1.021 444 V CA -0.583 61.755 62.300 0.064 0.000 0.838 444 V CB 1.601 33.433 31.823 0.015 0.000 0.999 444 V HN 0.648 nan 8.190 nan 0.000 0.447 445 T N 7.201 121.762 114.554 0.011 0.000 2.772 445 T HA 0.508 4.863 4.350 0.008 0.000 0.288 445 T C -2.290 172.392 174.700 -0.030 0.000 0.994 445 T CA -2.000 60.098 62.100 -0.003 0.000 0.951 445 T CB 1.710 70.581 68.868 0.006 0.000 0.933 445 T HN 0.499 nan 8.240 nan 0.000 0.447 446 P HA 0.378 nan 4.420 nan 0.000 0.274 446 P C -2.823 174.416 177.300 -0.102 0.000 1.256 446 P CA -1.624 61.423 63.100 -0.088 0.000 0.795 446 P CB -0.363 31.279 31.700 -0.098 0.000 1.038 447 P HA 0.069 nan 4.420 nan 0.000 0.278 447 P C 1.155 178.336 177.300 -0.200 0.000 1.238 447 P CA -0.048 62.944 63.100 -0.179 0.000 0.794 447 P CB 0.186 31.701 31.700 -0.308 0.000 0.955 448 S N 1.130 116.788 115.700 -0.070 0.000 2.440 448 S HA -0.248 4.227 4.470 0.008 0.000 0.238 448 S C 1.585 176.175 174.600 -0.016 0.000 1.010 448 S CA 1.172 59.353 58.200 -0.032 0.000 0.972 448 S CB -1.341 61.867 63.200 0.013 0.000 0.774 448 S HN 0.661 nan 8.310 nan 0.000 0.501 449 H N 0.502 119.563 119.070 -0.016 0.000 2.546 449 H HA 0.197 4.758 4.556 0.008 0.000 0.277 449 H C 0.086 175.403 175.328 -0.018 0.000 1.004 449 H CA 0.162 56.197 56.048 -0.022 0.000 1.231 449 H CB -0.235 29.506 29.762 -0.037 0.000 1.382 449 H HN 0.157 nan 8.280 nan 0.000 0.580 450 R N 1.946 122.268 120.500 -0.297 0.000 2.391 450 R HA 0.211 4.556 4.340 0.008 0.000 0.310 450 R C 1.159 177.412 176.300 -0.079 0.000 1.174 450 R CA -0.261 55.736 56.100 -0.171 0.000 1.118 450 R CB 0.549 30.700 30.300 -0.247 0.000 1.134 450 R HN 0.366 nan 8.270 nan 0.000 0.524 451 L N 0.826 122.034 121.223 -0.025 0.000 2.376 451 L HA -0.102 4.243 4.340 0.008 0.000 0.219 451 L C 1.401 178.266 176.870 -0.008 0.000 1.133 451 L CA 0.934 55.768 54.840 -0.010 0.000 0.816 451 L CB -0.241 41.824 42.059 0.009 0.000 0.933 451 L HN 0.407 nan 8.230 nan 0.000 0.449 452 D N 0.401 120.794 120.400 -0.010 0.000 2.340 452 D HA -0.013 4.632 4.640 0.008 0.000 0.220 452 D C 0.606 176.900 176.300 -0.010 0.000 1.039 452 D CA 0.182 54.179 54.000 -0.005 0.000 0.866 452 D CB 0.130 40.930 40.800 0.000 0.000 0.913 452 D HN 0.286 nan 8.370 nan 0.000 0.523 453 L N 1.075 122.283 121.223 -0.025 0.000 2.301 453 L HA 0.422 4.767 4.340 0.008 0.000 0.278 453 L C 0.954 177.816 176.870 -0.014 0.000 1.022 453 L CA -0.500 54.324 54.840 -0.026 0.000 0.854 453 L CB 1.503 43.528 42.059 -0.057 0.000 1.226 453 L HN -0.207 nan 8.230 nan 0.000 0.429 454 R N 2.232 122.736 120.500 0.006 0.000 2.650 454 R HA 0.416 4.760 4.340 0.008 0.000 0.212 454 R C -0.002 176.318 176.300 0.032 0.000 0.904 454 R CA 0.218 56.326 56.100 0.014 0.000 1.021 454 R CB 0.983 31.292 30.300 0.015 0.000 1.519 454 R HN 0.402 nan 8.270 nan 0.000 0.639 455 L N 0.646 121.897 121.223 0.046 0.000 2.322 455 L HA 0.359 4.704 4.340 0.008 0.000 0.269 455 L C 1.727 178.664 176.870 0.112 0.000 1.012 455 L CA -0.510 54.373 54.840 0.072 0.000 0.815 455 L CB 1.947 44.049 42.059 0.072 0.000 1.295 455 L HN 0.020 nan 8.230 nan 0.000 0.438 456 E N 0.671 120.964 120.200 0.156 0.000 2.085 456 E HA -0.257 4.098 4.350 0.008 0.000 0.194 456 E C 1.290 178.070 176.600 0.300 0.000 0.994 456 E CA 1.863 58.424 56.400 0.268 0.000 0.801 456 E CB 0.328 30.189 29.700 0.268 0.000 0.743 456 E HN 0.668 nan 8.360 nan 0.000 0.453 457 E N 1.031 121.384 120.200 0.255 0.000 2.085 457 E HA -0.199 4.156 4.350 0.008 0.000 0.194 457 E C 1.748 178.426 176.600 0.130 0.000 0.994 457 E CA 1.476 58.000 56.400 0.207 0.000 0.801 457 E CB -0.224 29.573 29.700 0.162 0.000 0.743 457 E HN 0.373 nan 8.360 nan 0.000 0.453 458 D N -0.222 120.238 120.400 0.100 0.000 2.123 458 D HA -0.144 4.500 4.640 0.008 0.000 0.196 458 D C 1.737 178.057 176.300 0.034 0.000 0.992 458 D CA 0.752 54.785 54.000 0.054 0.000 0.833 458 D CB -0.051 40.769 40.800 0.033 0.000 0.954 458 D HN 0.112 nan 8.370 nan 0.000 0.455 459 L N 0.823 122.069 121.223 0.037 0.000 2.093 459 L HA -0.083 4.262 4.340 0.008 0.000 0.208 459 L C 2.667 179.528 176.870 -0.015 0.000 1.085 459 L CA 0.912 55.705 54.840 -0.078 0.000 0.755 459 L CB -1.514 40.415 42.059 -0.217 0.000 0.904 459 L HN 0.034 nan 8.230 nan 0.000 0.435 460 V N -0.912 119.097 119.914 0.158 0.000 2.515 460 V HA -0.202 3.923 4.120 0.008 0.000 0.250 460 V C 2.293 178.446 176.094 0.097 0.000 1.058 460 V CA 1.829 64.238 62.300 0.180 0.000 1.064 460 V CB -0.349 31.556 31.823 0.136 0.000 0.675 460 V HN 0.560 nan 8.190 nan 0.000 0.461 461 E N -0.463 119.783 120.200 0.077 0.000 2.150 461 E HA -0.216 4.139 4.350 0.008 0.000 0.193 461 E C 2.131 178.780 176.600 0.082 0.000 0.985 461 E CA 1.254 57.714 56.400 0.100 0.000 0.814 461 E CB -0.055 29.701 29.700 0.093 0.000 0.752 461 E HN 0.697 nan 8.360 nan 0.000 0.466 462 E N 0.343 120.554 120.200 0.018 0.000 2.051 462 E HA -0.155 4.200 4.350 0.008 0.000 0.192 462 E C 2.280 178.863 176.600 -0.029 0.000 0.991 462 E CA 0.986 57.373 56.400 -0.022 0.000 0.799 462 E CB -0.321 29.331 29.700 -0.079 0.000 0.748 462 E HN 0.206 nan 8.360 nan 0.000 0.449 463 V N 1.688 121.583 119.914 -0.031 0.000 2.295 463 V HA -0.251 3.874 4.120 0.008 0.000 0.246 463 V C 2.453 178.516 176.094 -0.052 0.000 1.049 463 V CA 1.804 64.072 62.300 -0.054 0.000 1.024 463 V CB -0.912 30.932 31.823 0.035 0.000 0.648 463 V HN 0.253 nan 8.190 nan 0.000 0.447 464 A N 1.498 124.369 122.820 0.085 0.000 1.865 464 A HA -0.265 4.060 4.320 0.008 0.000 0.217 464 A C 2.354 180.082 177.584 0.240 0.000 1.191 464 A CA 2.277 54.425 52.037 0.185 0.000 0.623 464 A CB -0.580 18.537 19.000 0.195 0.000 0.826 464 A HN 0.697 nan 8.150 nan 0.000 0.444 465 R N -0.835 119.798 120.500 0.221 0.000 2.115 465 R HA -0.009 4.336 4.340 0.008 0.000 0.230 465 R C 1.544 177.840 176.300 -0.007 0.000 1.111 465 R CA 1.514 57.646 56.100 0.053 0.000 0.976 465 R CB -0.485 29.761 30.300 -0.089 0.000 0.870 465 R HN 0.388 nan 8.270 nan 0.000 0.445 466 I N 1.352 121.907 120.570 -0.025 0.000 2.500 466 I HA -0.105 4.070 4.170 0.008 0.000 0.252 466 I C 2.232 178.298 176.117 -0.086 0.000 1.142 466 I CA 1.097 62.365 61.300 -0.053 0.000 1.451 466 I CB -0.915 37.041 38.000 -0.073 0.000 1.093 466 I HN 0.238 nan 8.210 nan 0.000 0.430 467 Q N 0.896 120.611 119.800 -0.141 0.000 2.123 467 Q HA 0.115 4.459 4.340 0.008 0.000 0.199 467 Q C 0.853 176.830 176.000 -0.037 0.000 0.966 467 Q CA 0.918 56.594 55.803 -0.212 0.000 0.845 467 Q CB 0.015 28.392 28.738 -0.601 0.000 0.907 467 Q HN 0.562 nan 8.270 nan 0.000 0.439 468 G N -0.005 108.826 108.800 0.051 0.000 3.444 468 G HA2 -0.172 3.792 3.960 0.008 0.000 0.685 468 G HA3 -0.172 3.792 3.960 0.008 0.000 0.685 468 G C -0.292 174.758 174.900 0.250 0.000 1.145 468 G CA -0.492 44.677 45.100 0.114 0.000 0.973 468 G HN 0.042 nan 8.290 nan 0.000 0.525 469 Y N 1.083 121.403 120.300 0.033 0.000 2.283 469 Y HA -0.174 4.380 4.550 0.008 0.000 0.285 469 Y C 2.636 178.563 175.900 0.044 0.000 1.176 469 Y CA 2.168 60.292 58.100 0.040 0.000 1.229 469 Y CB -0.157 38.314 38.460 0.018 0.000 0.975 469 Y HN 0.843 nan 8.280 nan 0.000 0.537 470 E N -1.507 118.810 120.200 0.194 0.000 2.482 470 E HA -0.070 4.285 4.350 0.008 0.000 0.196 470 E C 1.782 178.442 176.600 0.101 0.000 1.047 470 E CA 1.126 57.596 56.400 0.117 0.000 0.869 470 E CB -0.888 28.863 29.700 0.085 0.000 0.836 470 E HN 0.458 nan 8.360 nan 0.000 0.520 471 T N -1.554 113.083 114.554 0.138 0.000 3.100 471 T HA 0.165 4.519 4.350 0.008 0.000 0.253 471 T C 0.762 175.527 174.700 0.108 0.000 1.118 471 T CA -0.278 61.910 62.100 0.148 0.000 1.058 471 T CB -0.327 68.690 68.868 0.248 0.000 0.953 471 T HN 0.058 nan 8.240 nan 0.000 0.515 472 I N 4.628 125.244 120.570 0.078 0.000 2.436 472 I HA 0.241 4.416 4.170 0.008 0.000 0.289 472 I C -1.639 174.462 176.117 -0.028 0.000 1.083 472 I CA -2.245 59.048 61.300 -0.012 0.000 1.372 472 I CB 0.644 38.610 38.000 -0.056 0.000 1.408 472 I HN 0.156 nan 8.210 nan 0.000 0.516 473 P HA 0.150 nan 4.420 nan 0.000 0.272 473 P C -0.937 176.338 177.300 -0.041 0.000 1.240 473 P CA -0.442 62.633 63.100 -0.042 0.000 0.791 473 P CB 0.942 32.609 31.700 -0.055 0.000 0.978 474 L N 0.766 121.970 121.223 -0.031 0.000 2.307 474 L HA 0.676 5.021 4.340 0.008 0.000 0.282 474 L C 0.533 177.384 176.870 -0.033 0.000 1.051 474 L CA 0.014 54.836 54.840 -0.030 0.000 0.804 474 L CB 0.796 42.843 42.059 -0.021 0.000 1.197 474 L HN 0.644 nan 8.230 nan 0.000 0.431 475 A N 3.568 126.367 122.820 -0.034 0.000 2.602 475 A HA 0.888 5.213 4.320 0.008 0.000 0.290 475 A C -1.740 175.824 177.584 -0.033 0.000 1.114 475 A CA -0.540 51.477 52.037 -0.034 0.000 0.683 475 A CB 1.313 20.292 19.000 -0.036 0.000 1.281 475 A HN 0.507 nan 8.150 nan 0.000 0.416 476 L N 1.995 123.196 121.223 -0.037 0.000 2.385 476 L HA 0.572 4.917 4.340 0.008 0.000 0.273 476 L C -1.969 174.874 176.870 -0.046 0.000 0.990 476 L CA -1.571 53.242 54.840 -0.045 0.000 0.821 476 L CB 2.108 44.132 42.059 -0.059 0.000 1.279 476 L HN 0.728 nan 8.230 nan 0.000 0.412 477 P HA 0.498 nan 4.420 nan 0.000 0.278 477 P C -1.322 175.904 177.300 -0.124 0.000 1.238 477 P CA -0.427 62.670 63.100 -0.005 0.000 0.794 477 P CB 1.886 33.653 31.700 0.110 0.000 0.955 478 A N 3.001 125.774 122.820 -0.079 0.000 2.335 478 A HA 0.756 5.081 4.320 0.008 0.000 0.304 478 A C -0.908 176.616 177.584 -0.101 0.000 1.118 478 A CA -0.565 51.346 52.037 -0.209 0.000 0.757 478 A CB 0.482 19.388 19.000 -0.156 0.000 1.188 478 A HN 0.574 nan 8.150 nan 0.000 0.460 479 F N -0.517 119.294 119.950 -0.231 0.000 2.725 479 F HA 0.714 5.245 4.527 0.008 0.000 0.309 479 F C -1.873 173.753 175.800 -0.291 0.000 1.132 479 F CA -2.089 55.781 58.000 -0.217 0.000 0.957 479 F CB 0.513 39.474 39.000 -0.064 0.000 1.286 479 F HN 0.287 nan 8.300 nan 0.000 0.440 480 F N 3.608 123.739 119.950 0.303 0.000 2.421 480 F HA 0.524 5.055 4.527 0.008 0.000 0.358 480 F C -1.834 174.159 175.800 0.321 0.000 1.115 480 F CA -1.840 56.277 58.000 0.195 0.000 1.160 480 F CB 0.445 39.509 39.000 0.108 0.000 1.123 480 F HN 0.243 nan 8.300 nan 0.000 0.508 481 P HA 0.186 nan 4.420 nan 0.000 0.271 481 P C -0.601 176.828 177.300 0.214 0.000 1.216 481 P CA -0.389 62.934 63.100 0.372 0.000 0.776 481 P CB 0.864 32.745 31.700 0.302 0.000 0.881 482 A N 5.185 128.081 122.820 0.126 0.000 2.561 482 A HA 0.116 4.441 4.320 0.008 0.000 0.234 482 A C -1.035 176.592 177.584 0.072 0.000 1.055 482 A CA -0.629 51.452 52.037 0.073 0.000 0.756 482 A CB -1.142 17.874 19.000 0.026 0.000 0.986 482 A HN 0.417 nan 8.150 nan 0.000 0.505 483 P HA -0.235 nan 4.420 nan 0.000 0.216 483 P C 0.737 178.061 177.300 0.039 0.000 1.157 483 P CA 1.953 65.079 63.100 0.045 0.000 0.880 483 P CB -0.093 31.624 31.700 0.028 0.000 0.791 484 D N -2.154 118.265 120.400 0.032 0.000 2.392 484 D HA -0.116 4.529 4.640 0.008 0.000 0.228 484 D C 1.013 177.332 176.300 0.033 0.000 1.003 484 D CA 0.669 54.686 54.000 0.028 0.000 0.917 484 D CB -1.101 39.711 40.800 0.020 0.000 0.890 484 D HN 0.144 nan 8.370 nan 0.000 0.532 485 N N 0.083 118.809 118.700 0.043 0.000 2.280 485 N HA 0.028 4.773 4.740 0.008 0.000 0.192 485 N C -0.015 175.525 175.510 0.049 0.000 1.109 485 N CA -0.108 52.971 53.050 0.049 0.000 0.855 485 N CB 0.356 38.883 38.487 0.067 0.000 0.974 485 N HN 0.146 nan 8.380 nan 0.000 0.482 486 R N 0.385 120.913 120.500 0.046 0.000 2.490 486 R HA 0.196 4.541 4.340 0.008 0.000 0.280 486 R C 1.164 177.485 176.300 0.035 0.000 1.077 486 R CA 0.250 56.376 56.100 0.043 0.000 1.065 486 R CB 0.079 30.403 30.300 0.041 0.000 1.003 486 R HN 0.198 nan 8.270 nan 0.000 0.470 487 G N 1.151 109.972 108.800 0.034 0.000 2.205 487 G HA2 -0.327 3.637 3.960 0.008 0.000 0.269 487 G HA3 -0.327 3.637 3.960 0.008 0.000 0.269 487 G C 0.891 175.812 174.900 0.035 0.000 0.977 487 G CA 0.543 45.663 45.100 0.033 0.000 0.652 487 G HN 0.481 nan 8.290 nan 0.000 0.539 488 V N 1.147 121.082 119.914 0.034 0.000 2.794 488 V HA -0.121 4.004 4.120 0.008 0.000 0.260 488 V C 2.482 178.600 176.094 0.040 0.000 1.103 488 V CA 2.929 65.249 62.300 0.034 0.000 1.125 488 V CB -0.005 31.836 31.823 0.029 0.000 0.702 488 V HN 0.874 nan 8.190 nan 0.000 0.494 489 E N -0.714 119.511 120.200 0.042 0.000 2.474 489 E HA 0.150 4.505 4.350 0.008 0.000 0.195 489 E C 1.849 178.508 176.600 0.099 0.000 1.039 489 E CA 0.682 57.120 56.400 0.064 0.000 0.881 489 E CB 0.087 29.809 29.700 0.037 0.000 0.970 489 E HN 0.510 nan 8.360 nan 0.000 0.486 490 A N 2.655 125.517 122.820 0.070 0.000 1.873 490 A HA -0.110 4.215 4.320 0.008 0.000 0.218 490 A C -0.128 177.498 177.584 0.069 0.000 1.193 490 A CA 1.453 53.526 52.037 0.061 0.000 0.629 490 A CB -1.507 17.518 19.000 0.042 0.000 0.826 490 A HN 0.307 nan 8.150 nan 0.000 0.447 491 P HA -0.230 nan 4.420 nan 0.000 0.215 491 P C 1.548 178.892 177.300 0.074 0.000 1.163 491 P CA 1.652 64.789 63.100 0.061 0.000 0.894 491 P CB -0.237 31.502 31.700 0.065 0.000 0.791 492 Y N 0.476 120.778 120.300 0.003 0.000 2.181 492 Y HA -0.192 4.363 4.550 0.009 0.000 0.288 492 Y C 2.388 178.289 175.900 0.003 0.000 1.146 492 Y CA 1.605 59.707 58.100 0.004 0.000 1.164 492 Y CB -0.447 38.017 38.460 0.007 0.000 0.982 492 Y HN -0.237 nan 8.280 nan 0.000 0.515 493 R N 0.244 120.854 120.500 0.184 0.000 2.081 493 R HA -0.175 4.170 4.340 0.008 0.000 0.235 493 R C 2.412 178.697 176.300 -0.024 0.000 1.131 493 R CA 1.672 57.828 56.100 0.093 0.000 0.960 493 R CB -0.293 30.071 30.300 0.106 0.000 0.856 493 R HN 0.293 nan 8.270 nan 0.000 0.436 494 K N 1.156 121.544 120.400 -0.020 0.000 2.009 494 K HA -0.247 4.078 4.320 0.008 0.000 0.210 494 K C 2.018 178.563 176.600 -0.091 0.000 1.049 494 K CA 1.901 58.161 56.287 -0.044 0.000 0.929 494 K CB -0.059 32.426 32.500 -0.025 0.000 0.714 494 K HN 0.140 nan 8.250 nan 0.000 0.440 495 E N -0.110 120.013 120.200 -0.129 0.000 2.153 495 E HA -0.247 4.108 4.350 0.008 0.000 0.194 495 E C 2.077 178.566 176.600 -0.185 0.000 0.988 495 E CA 1.044 57.348 56.400 -0.160 0.000 0.811 495 E CB 0.102 29.691 29.700 -0.186 0.000 0.746 495 E HN 0.223 nan 8.360 nan 0.000 0.466 496 Q N 0.722 120.377 119.800 -0.241 0.000 2.079 496 Q HA -0.112 4.233 4.340 0.008 0.000 0.200 496 Q C 2.083 178.020 176.000 -0.104 0.000 0.974 496 Q CA 1.259 56.947 55.803 -0.192 0.000 0.840 496 Q CB -0.189 28.429 28.738 -0.201 0.000 0.898 496 Q HN 0.073 nan 8.270 nan 0.000 0.430 497 R N -0.022 120.422 120.500 -0.093 0.000 2.083 497 R HA -0.142 4.203 4.340 0.008 0.000 0.237 497 R C 2.112 178.341 176.300 -0.118 0.000 1.137 497 R CA 1.302 57.354 56.100 -0.081 0.000 0.951 497 R CB -0.904 29.356 30.300 -0.067 0.000 0.851 497 R HN 0.385 nan 8.270 nan 0.000 0.434 498 L N 1.667 122.805 121.223 -0.142 0.000 1.990 498 L HA -0.228 4.117 4.340 0.008 0.000 0.213 498 L C 2.421 179.142 176.870 -0.247 0.000 1.072 498 L CA 1.927 56.646 54.840 -0.202 0.000 0.755 498 L CB -0.571 41.376 42.059 -0.186 0.000 0.889 498 L HN 0.106 nan 8.230 nan 0.000 0.432 499 R N -0.400 120.006 120.500 -0.156 0.000 2.083 499 R HA -0.190 4.155 4.340 0.008 0.000 0.237 499 R C 2.112 178.346 176.300 -0.111 0.000 1.137 499 R CA 1.905 57.953 56.100 -0.087 0.000 0.951 499 R CB -0.572 29.797 30.300 0.115 0.000 0.851 499 R HN 0.584 nan 8.270 nan 0.000 0.434 500 E N 0.276 120.432 120.200 -0.072 0.000 2.110 500 E HA -0.145 4.210 4.350 0.008 0.000 0.193 500 E C 2.076 178.619 176.600 -0.095 0.000 0.988 500 E CA 1.320 57.691 56.400 -0.049 0.000 0.804 500 E CB -0.019 29.661 29.700 -0.033 0.000 0.745 500 E HN 0.121 nan 8.360 nan 0.000 0.458 501 V N 1.513 121.335 119.914 -0.154 0.000 2.358 501 V HA -0.229 3.896 4.120 0.008 0.000 0.246 501 V C 2.297 178.255 176.094 -0.227 0.000 1.047 501 V CA 1.301 63.499 62.300 -0.169 0.000 1.035 501 V CB -0.429 31.274 31.823 -0.201 0.000 0.658 501 V HN 0.246 nan 8.190 nan 0.000 0.452 502 L N 0.953 121.933 121.223 -0.405 0.000 2.012 502 L HA -0.188 4.157 4.340 0.008 0.000 0.210 502 L C 2.734 179.452 176.870 -0.253 0.000 1.073 502 L CA 2.047 56.522 54.840 -0.607 0.000 0.748 502 L CB -0.793 40.455 42.059 -1.353 0.000 0.891 502 L HN 0.564 nan 8.230 nan 0.000 0.431 503 S N -0.599 115.021 115.700 -0.134 0.000 2.447 503 S HA -0.084 4.391 4.470 0.008 0.000 0.233 503 S C 1.893 176.532 174.600 0.065 0.000 1.006 503 S CA 0.887 59.146 58.200 0.098 0.000 0.957 503 S CB -0.589 62.702 63.200 0.153 0.000 0.773 503 S HN 0.451 nan 8.310 nan 0.000 0.507 504 G N 0.884 109.692 108.800 0.013 0.000 2.539 504 G HA2 0.209 4.174 3.960 0.008 0.000 0.215 504 G HA3 0.209 4.174 3.960 0.008 0.000 0.215 504 G C 1.276 176.207 174.900 0.052 0.000 1.141 504 G CA 0.112 45.227 45.100 0.024 0.000 0.806 504 G HN 0.449 nan 8.290 nan 0.000 0.533 505 L N -0.224 121.038 121.223 0.065 0.000 2.217 505 L HA 0.194 4.539 4.340 0.008 0.000 0.211 505 L C 1.914 178.914 176.870 0.216 0.000 1.107 505 L CA 1.459 56.392 54.840 0.155 0.000 0.783 505 L CB 0.141 42.305 42.059 0.174 0.000 0.919 505 L HN 0.406 nan 8.230 nan 0.000 0.442 506 G N -2.169 106.716 108.800 0.142 0.000 2.559 506 G HA2 -0.158 3.806 3.960 0.008 0.000 0.202 506 G HA3 -0.158 3.806 3.960 0.008 0.000 0.202 506 G C -0.108 174.716 174.900 -0.125 0.000 0.992 506 G CA -0.640 44.445 45.100 -0.026 0.000 0.764 506 G HN 0.067 nan 8.290 nan 0.000 0.525 507 F N 1.453 121.336 119.950 -0.113 0.000 2.412 507 F HA 0.674 5.206 4.527 0.009 0.000 0.348 507 F C 0.668 176.617 175.800 0.249 0.000 1.102 507 F CA -0.703 57.318 58.000 0.035 0.000 1.196 507 F CB 1.619 40.627 39.000 0.014 0.000 1.144 507 F HN 0.039 nan 8.300 nan 0.000 0.541 508 Q N 3.065 123.087 119.800 0.371 0.000 2.331 508 Q HA 0.177 4.522 4.340 0.008 0.000 0.257 508 Q C -0.483 175.562 176.000 0.075 0.000 0.957 508 Q CA -0.428 55.505 55.803 0.216 0.000 0.923 508 Q CB 0.924 29.707 28.738 0.075 0.000 1.212 508 Q HN 0.656 nan 8.270 nan 0.000 0.443 509 E N 2.293 122.393 120.200 -0.166 0.000 2.383 509 E HA 0.390 4.745 4.350 0.008 0.000 0.264 509 E C -1.159 175.213 176.600 -0.380 0.000 1.050 509 E CA -0.367 55.536 56.400 -0.828 0.000 0.896 509 E CB 0.693 29.977 29.700 -0.694 0.000 0.982 509 E HN 0.477 nan 8.360 nan 0.000 0.424 510 V N 4.041 123.744 119.914 -0.350 0.000 2.841 510 V HA 0.276 4.401 4.120 0.008 0.000 0.310 510 V C -1.415 174.710 176.094 0.052 0.000 1.090 510 V CA -0.867 61.360 62.300 -0.122 0.000 0.930 510 V CB 1.580 33.334 31.823 -0.116 0.000 1.014 510 V HN 0.598 nan 8.190 nan 0.000 0.425 511 Y N 1.394 121.561 120.300 -0.222 0.000 2.335 511 Y HA 0.737 5.292 4.550 0.008 0.000 0.338 511 Y C 0.497 176.256 175.900 -0.235 0.000 0.977 511 Y CA -0.778 57.193 58.100 -0.214 0.000 1.114 511 Y CB 2.327 40.669 38.460 -0.198 0.000 1.182 511 Y HN 0.639 nan 8.280 nan 0.000 0.463 512 T N 3.157 117.624 114.554 -0.144 0.000 2.893 512 T HA 0.360 4.715 4.350 0.008 0.000 0.291 512 T C -1.029 173.573 174.700 -0.165 0.000 1.028 512 T CA -0.820 61.176 62.100 -0.174 0.000 0.995 512 T CB 0.747 69.543 68.868 -0.120 0.000 1.051 512 T HN 0.161 nan 8.240 nan 0.000 0.470 513 Y N 1.247 121.517 120.300 -0.051 0.000 2.702 513 Y HA 0.006 4.561 4.550 0.008 0.000 0.336 513 Y C 2.084 177.886 175.900 -0.163 0.000 1.235 513 Y CA 0.136 58.177 58.100 -0.099 0.000 1.492 513 Y CB 0.212 38.681 38.460 0.015 0.000 1.308 513 Y HN 0.666 nan 8.280 nan 0.000 0.589 514 S N 1.709 117.332 115.700 -0.128 0.000 2.515 514 S HA -0.017 4.458 4.470 0.008 0.000 0.231 514 S C 0.112 174.634 174.600 -0.130 0.000 0.987 514 S CA 0.185 58.297 58.200 -0.147 0.000 0.936 514 S CB -0.405 62.676 63.200 -0.198 0.000 0.766 514 S HN 0.332 nan 8.310 nan 0.000 0.528 515 F N 1.342 121.323 119.950 0.052 0.000 2.406 515 F HA 0.496 5.028 4.527 0.008 0.000 0.327 515 F C 0.292 176.085 175.800 -0.012 0.000 1.153 515 F CA -0.870 57.120 58.000 -0.016 0.000 1.218 515 F CB 0.298 39.260 39.000 -0.064 0.000 1.215 515 F HN 0.025 nan 8.300 nan 0.000 0.570 516 M N 1.636 121.353 119.600 0.197 0.000 2.501 516 M HA 0.299 4.784 4.480 0.008 0.000 0.293 516 M C -1.782 174.546 176.300 0.046 0.000 1.192 516 M CA -0.779 54.567 55.300 0.075 0.000 0.886 516 M CB 2.118 34.742 32.600 0.039 0.000 1.710 516 M HN 0.527 nan 8.290 nan 0.000 0.457 517 D N 4.220 124.638 120.400 0.030 0.000 2.313 517 D HA 0.297 4.942 4.640 0.008 0.000 0.239 517 D C -2.076 174.244 176.300 0.033 0.000 1.142 517 D CA -1.611 52.405 54.000 0.026 0.000 0.847 517 D CB 1.866 42.692 40.800 0.044 0.000 1.082 517 D HN 0.327 nan 8.370 nan 0.000 0.480 518 P HA -0.168 nan 4.420 nan 0.000 0.217 518 P C 0.914 178.238 177.300 0.040 0.000 1.148 518 P CA 0.953 64.069 63.100 0.026 0.000 0.834 518 P CB 0.441 32.147 31.700 0.010 0.000 0.783 519 E N -0.668 119.557 120.200 0.041 0.000 2.268 519 E HA -0.144 4.211 4.350 0.008 0.000 0.195 519 E C 1.352 178.003 176.600 0.085 0.000 0.995 519 E CA 0.906 57.335 56.400 0.048 0.000 0.836 519 E CB -0.863 28.858 29.700 0.036 0.000 0.763 519 E HN 0.173 nan 8.360 nan 0.000 0.491 520 D N -0.691 119.787 120.400 0.130 0.000 2.312 520 D HA -0.024 4.621 4.640 0.008 0.000 0.211 520 D C 1.510 177.958 176.300 0.247 0.000 0.964 520 D CA 0.876 55.039 54.000 0.272 0.000 0.877 520 D CB -0.030 40.943 40.800 0.290 0.000 0.924 520 D HN 0.256 nan 8.370 nan 0.000 0.515 521 A N 0.780 123.676 122.820 0.126 0.000 1.972 521 A HA -0.190 4.135 4.320 0.008 0.000 0.219 521 A C 2.158 179.807 177.584 0.108 0.000 1.169 521 A CA 1.158 53.256 52.037 0.103 0.000 0.635 521 A CB -0.279 18.765 19.000 0.074 0.000 0.810 521 A HN 0.118 nan 8.150 nan 0.000 0.446 522 R N -0.644 119.908 120.500 0.086 0.000 2.051 522 R HA -0.017 4.328 4.340 0.008 0.000 0.225 522 R C 2.395 178.710 176.300 0.026 0.000 1.155 522 R CA 0.883 57.011 56.100 0.047 0.000 0.945 522 R CB -0.335 29.979 30.300 0.024 0.000 0.840 522 R HN 0.449 nan 8.270 nan 0.000 0.432 523 R N -0.440 120.061 120.500 0.002 0.000 2.113 523 R HA -0.181 4.164 4.340 0.008 0.000 0.244 523 R C 1.803 177.936 176.300 -0.279 0.000 1.142 523 R CA 1.974 57.973 56.100 -0.169 0.000 0.953 523 R CB -0.373 29.769 30.300 -0.263 0.000 0.860 523 R HN 0.275 nan 8.270 nan 0.000 0.438 524 F N 0.303 120.279 119.950 0.042 0.000 2.660 524 F HA 0.245 4.777 4.527 0.008 0.000 0.302 524 F C 0.147 176.042 175.800 0.158 0.000 1.103 524 F CA -0.377 57.689 58.000 0.110 0.000 1.340 524 F CB 0.119 39.153 39.000 0.057 0.000 1.048 524 F HN -0.151 nan 8.300 nan 0.000 0.551 525 R N 1.233 121.850 120.500 0.195 0.000 3.059 525 R HA -0.174 4.171 4.340 0.008 0.000 0.251 525 R C -1.331 175.110 176.300 0.234 0.000 0.886 525 R CA 0.229 56.424 56.100 0.158 0.000 0.634 525 R CB -2.353 28.004 30.300 0.094 0.000 1.282 525 R HN 0.334 nan 8.270 nan 0.000 0.487 526 L N 0.406 121.731 121.223 0.171 0.000 2.388 526 L HA 0.450 4.795 4.340 0.008 0.000 0.264 526 L C 0.172 177.123 176.870 0.135 0.000 0.998 526 L CA -1.405 53.520 54.840 0.141 0.000 0.817 526 L CB 1.791 43.839 42.059 -0.018 0.000 1.338 526 L HN -0.012 nan 8.230 nan 0.000 0.414 527 D N 2.777 123.280 120.400 0.171 0.000 2.449 527 D HA 0.104 4.749 4.640 0.008 0.000 0.236 527 D C -2.085 174.288 176.300 0.122 0.000 1.149 527 D CA -0.492 53.593 54.000 0.142 0.000 0.878 527 D CB 0.204 41.101 40.800 0.162 0.000 1.198 527 D HN 0.261 nan 8.370 nan 0.000 0.446 528 P HA 0.117 nan 4.420 nan 0.000 0.267 528 P C -2.540 174.809 177.300 0.082 0.000 1.200 528 P CA -0.917 62.229 63.100 0.076 0.000 0.772 528 P CB -0.377 31.358 31.700 0.058 0.000 0.855 529 P HA 0.173 nan 4.420 nan 0.000 0.268 529 P C 0.979 178.317 177.300 0.062 0.000 1.204 529 P CA -0.048 63.096 63.100 0.073 0.000 0.768 529 P CB 0.473 32.206 31.700 0.056 0.000 0.842 530 R N 2.838 123.381 120.500 0.071 0.000 2.100 530 R HA 0.115 4.460 4.340 0.008 0.000 0.220 530 R C 0.209 176.532 176.300 0.039 0.000 1.091 530 R CA 0.635 56.770 56.100 0.059 0.000 0.986 530 R CB 0.008 30.351 30.300 0.071 0.000 0.888 530 R HN 0.406 nan 8.270 nan 0.000 0.444 531 L N 2.411 123.652 121.223 0.030 0.000 2.307 531 L HA 0.437 4.781 4.340 0.008 0.000 0.284 531 L C -0.684 176.172 176.870 -0.024 0.000 1.023 531 L CA -0.673 54.160 54.840 -0.012 0.000 0.810 531 L CB 1.847 43.869 42.059 -0.060 0.000 1.231 531 L HN 0.090 nan 8.230 nan 0.000 0.423 532 L N 3.266 124.474 121.223 -0.025 0.000 2.333 532 L HA 0.545 4.890 4.340 0.008 0.000 0.263 532 L C -0.973 175.875 176.870 -0.037 0.000 1.014 532 L CA -1.018 53.807 54.840 -0.026 0.000 0.820 532 L CB 2.330 44.379 42.059 -0.017 0.000 1.352 532 L HN 0.328 nan 8.230 nan 0.000 0.421 533 L N 1.755 122.950 121.223 -0.047 0.000 2.276 533 L HA 0.285 4.630 4.340 0.008 0.000 0.286 533 L C 0.912 177.746 176.870 -0.059 0.000 1.061 533 L CA 0.206 55.011 54.840 -0.058 0.000 0.807 533 L CB 1.164 43.165 42.059 -0.095 0.000 1.177 533 L HN 0.517 nan 8.230 nan 0.000 0.429 534 L N 2.492 123.688 121.223 -0.046 0.000 2.217 534 L HA -0.020 4.325 4.340 0.008 0.000 0.211 534 L C 0.537 177.377 176.870 -0.051 0.000 1.107 534 L CA 0.647 55.463 54.840 -0.041 0.000 0.783 534 L CB -0.205 41.837 42.059 -0.029 0.000 0.919 534 L HN 0.831 nan 8.230 nan 0.000 0.442 535 N N -0.372 118.290 118.700 -0.062 0.000 2.765 535 N HA 0.244 4.989 4.740 0.008 0.000 0.277 535 N C -2.686 172.755 175.510 -0.115 0.000 1.750 535 N CA -1.128 51.879 53.050 -0.072 0.000 0.827 535 N CB 0.007 38.463 38.487 -0.051 0.000 1.200 535 N HN 0.011 nan 8.380 nan 0.000 0.494 536 P HA 0.139 nan 4.420 nan 0.000 0.271 536 P C 0.985 178.134 177.300 -0.253 0.000 1.233 536 P CA -0.497 62.448 63.100 -0.258 0.000 0.789 536 P CB 1.870 33.429 31.700 -0.236 0.000 0.951 537 L N -0.407 120.598 121.223 -0.363 0.000 2.341 537 L HA 0.202 4.547 4.340 0.008 0.000 0.214 537 L C 1.174 177.921 176.870 -0.205 0.000 1.115 537 L CA 0.861 55.539 54.840 -0.270 0.000 0.820 537 L CB -0.265 41.596 42.059 -0.330 0.000 0.944 537 L HN 0.562 nan 8.230 nan 0.000 0.452 538 A N -1.588 121.099 122.820 -0.222 0.000 2.569 538 A HA 0.394 4.719 4.320 0.008 0.000 0.292 538 A C -2.265 175.228 177.584 -0.150 0.000 1.032 538 A CA -0.671 51.275 52.037 -0.151 0.000 0.669 538 A CB 0.116 19.041 19.000 -0.126 0.000 1.290 538 A HN -0.208 nan 8.150 nan 0.000 0.422 539 P HA -0.114 nan 4.420 nan 0.000 0.222 539 P C 0.675 177.930 177.300 -0.076 0.000 1.147 539 P CA 1.421 64.471 63.100 -0.083 0.000 0.790 539 P CB 0.317 31.985 31.700 -0.054 0.000 0.780 540 E N 0.474 120.629 120.200 -0.074 0.000 2.268 540 E HA -0.089 4.266 4.350 0.008 0.000 0.195 540 E C 1.055 177.616 176.600 -0.065 0.000 0.995 540 E CA 1.076 57.447 56.400 -0.048 0.000 0.836 540 E CB -0.365 29.316 29.700 -0.032 0.000 0.763 540 E HN 0.372 nan 8.360 nan 0.000 0.491 541 K N -0.605 119.702 120.400 -0.156 0.000 2.726 541 K HA 0.379 4.703 4.320 0.008 0.000 0.209 541 K C 0.587 176.987 176.600 -0.334 0.000 1.082 541 K CA 0.132 56.265 56.287 -0.257 0.000 1.081 541 K CB 1.278 33.460 32.500 -0.530 0.000 0.830 541 K HN -0.025 nan 8.250 nan 0.000 0.470 542 A N 0.785 123.499 122.820 -0.176 0.000 2.208 542 A HA 0.299 4.624 4.320 0.008 0.000 0.209 542 A C 0.889 178.427 177.584 -0.076 0.000 1.161 542 A CA 0.548 52.498 52.037 -0.145 0.000 0.782 542 A CB 0.090 19.032 19.000 -0.097 0.000 0.816 542 A HN 0.343 nan 8.150 nan 0.000 0.477 543 A N -0.997 121.810 122.820 -0.022 0.000 2.437 543 A HA 0.752 5.077 4.320 0.008 0.000 0.292 543 A C -0.839 176.791 177.584 0.077 0.000 1.173 543 A CA -0.603 51.445 52.037 0.018 0.000 0.785 543 A CB 0.775 19.787 19.000 0.020 0.000 1.351 543 A HN 0.213 nan 8.150 nan 0.000 0.431 544 L N 1.961 123.199 121.223 0.025 0.000 2.272 544 L HA 0.405 4.749 4.340 0.008 0.000 0.289 544 L C 0.820 177.758 176.870 0.113 0.000 1.032 544 L CA -0.788 54.043 54.840 -0.015 0.000 0.810 544 L CB 1.215 43.068 42.059 -0.344 0.000 1.205 544 L HN 0.970 nan 8.230 nan 0.000 0.422 545 R N 0.879 121.465 120.500 0.142 0.000 2.587 545 R HA -0.044 4.301 4.340 0.008 0.000 0.268 545 R C 0.423 176.786 176.300 0.104 0.000 0.978 545 R CA 0.777 56.930 56.100 0.088 0.000 1.097 545 R CB 0.008 30.318 30.300 0.017 0.000 0.917 545 R HN 0.771 nan 8.270 nan 0.000 0.414 546 T N -1.990 112.581 114.554 0.028 0.000 2.969 546 T HA 0.160 4.515 4.350 0.008 0.000 0.250 546 T C -0.034 174.520 174.700 -0.242 0.000 1.021 546 T CA -0.128 61.964 62.100 -0.013 0.000 1.003 546 T CB 0.052 69.016 68.868 0.162 0.000 1.040 546 T HN 0.764 nan 8.240 nan 0.000 0.492 547 H N -0.990 117.911 119.070 -0.281 0.000 2.894 547 H HA 0.688 5.249 4.556 0.008 0.000 0.368 547 H C -0.076 175.015 175.328 -0.396 0.000 1.181 547 H CA -1.056 54.780 56.048 -0.353 0.000 1.146 547 H CB 1.763 31.199 29.762 -0.543 0.000 1.839 547 H HN -0.094 nan 8.280 nan 0.000 0.557 548 L N 0.681 121.789 121.223 -0.193 0.000 2.357 548 L HA 0.065 4.410 4.340 0.008 0.000 0.211 548 L C 1.758 178.515 176.870 -0.187 0.000 1.075 548 L CA 0.765 55.494 54.840 -0.185 0.000 0.830 548 L CB -0.580 41.410 42.059 -0.114 0.000 0.996 548 L HN 0.690 nan 8.230 nan 0.000 0.467 549 F N -0.016 119.871 119.950 -0.106 0.000 2.171 549 F HA 0.018 4.550 4.527 0.009 0.000 0.300 549 F C -0.681 175.002 175.800 -0.194 0.000 1.090 549 F CA 0.444 58.375 58.000 -0.116 0.000 1.293 549 F CB -2.637 36.346 39.000 -0.028 0.000 1.013 549 F HN 0.097 nan 8.300 nan 0.000 0.486 550 P HA -0.081 nan 4.420 nan 0.000 0.215 550 P C 2.067 179.035 177.300 -0.554 0.000 1.157 550 P CA 2.533 64.992 63.100 -1.069 0.000 0.868 550 P CB -0.479 30.314 31.700 -1.512 0.000 0.788 551 G N -0.578 107.990 108.800 -0.385 0.000 2.432 551 G HA2 -0.209 3.756 3.960 0.008 0.000 0.219 551 G HA3 -0.209 3.756 3.960 0.008 0.000 0.219 551 G C 1.507 176.343 174.900 -0.107 0.000 1.135 551 G CA 0.402 45.383 45.100 -0.198 0.000 0.767 551 G HN 0.221 nan 8.290 nan 0.000 0.550 552 L N 0.146 121.319 121.223 -0.084 0.000 2.093 552 L HA -0.053 4.292 4.340 0.008 0.000 0.208 552 L C 2.950 179.832 176.870 0.019 0.000 1.085 552 L CA 0.350 55.177 54.840 -0.021 0.000 0.755 552 L CB -0.233 41.832 42.059 0.009 0.000 0.904 552 L HN 0.100 nan 8.230 nan 0.000 0.435 553 V N -0.354 119.598 119.914 0.064 0.000 2.358 553 V HA -0.240 3.885 4.120 0.008 0.000 0.246 553 V C 2.547 178.693 176.094 0.086 0.000 1.047 553 V CA 1.582 63.957 62.300 0.124 0.000 1.035 553 V CB -0.545 31.462 31.823 0.308 0.000 0.658 553 V HN 0.402 nan 8.190 nan 0.000 0.452 554 R N 0.122 120.664 120.500 0.071 0.000 2.115 554 R HA -0.115 4.230 4.340 0.008 0.000 0.230 554 R C 2.263 178.575 176.300 0.020 0.000 1.111 554 R CA 1.634 57.775 56.100 0.068 0.000 0.976 554 R CB -0.458 29.878 30.300 0.059 0.000 0.870 554 R HN 0.626 nan 8.270 nan 0.000 0.445 555 V N -0.793 119.118 119.914 -0.005 0.000 2.667 555 V HA -0.105 4.020 4.120 0.008 0.000 0.252 555 V C 2.004 178.077 176.094 -0.034 0.000 1.065 555 V CA 1.134 63.423 62.300 -0.018 0.000 1.083 555 V CB -0.505 31.301 31.823 -0.029 0.000 0.692 555 V HN 0.140 nan 8.190 nan 0.000 0.468 556 L N 0.961 122.152 121.223 -0.052 0.000 2.046 556 L HA -0.064 4.280 4.340 0.008 0.000 0.208 556 L C 2.496 179.274 176.870 -0.153 0.000 1.077 556 L CA 2.551 57.311 54.840 -0.133 0.000 0.747 556 L CB -1.006 40.941 42.059 -0.186 0.000 0.896 556 L HN 0.420 nan 8.230 nan 0.000 0.432 557 K N -0.346 120.000 120.400 -0.089 0.000 2.002 557 K HA -0.201 4.124 4.320 0.008 0.000 0.209 557 K C 1.960 178.538 176.600 -0.036 0.000 1.048 557 K CA 1.968 58.217 56.287 -0.062 0.000 0.930 557 K CB -0.194 32.301 32.500 -0.008 0.000 0.714 557 K HN 0.487 nan 8.250 nan 0.000 0.438 558 E N 0.198 120.389 120.200 -0.016 0.000 2.160 558 E HA -0.169 4.186 4.350 0.008 0.000 0.195 558 E C 1.751 178.347 176.600 -0.007 0.000 0.991 558 E CA 0.812 57.210 56.400 -0.003 0.000 0.810 558 E CB -0.052 29.651 29.700 0.006 0.000 0.742 558 E HN 0.340 nan 8.360 nan 0.000 0.466 559 N N 0.386 119.074 118.700 -0.020 0.000 2.409 559 N HA -0.034 4.711 4.740 0.008 0.000 0.179 559 N C 1.649 177.160 175.510 0.001 0.000 1.032 559 N CA 0.589 53.634 53.050 -0.008 0.000 0.898 559 N CB 0.194 38.676 38.487 -0.008 0.000 0.971 559 N HN 0.205 nan 8.380 nan 0.000 0.441 560 L N 0.385 121.595 121.223 -0.022 0.000 2.418 560 L HA -0.004 4.341 4.340 0.008 0.000 0.218 560 L C 1.081 177.960 176.870 0.016 0.000 1.125 560 L CA 0.615 55.454 54.840 -0.001 0.000 0.835 560 L CB 0.045 42.075 42.059 -0.048 0.000 0.953 560 L HN -0.068 nan 8.230 nan 0.000 0.454 561 D N -0.474 119.931 120.400 0.008 0.000 2.324 561 D HA -0.021 4.624 4.640 0.008 0.000 0.212 561 D C 2.136 178.447 176.300 0.018 0.000 0.984 561 D CA 0.554 54.563 54.000 0.014 0.000 0.885 561 D CB 0.575 41.382 40.800 0.011 0.000 0.996 561 D HN 0.217 nan 8.370 nan 0.000 0.505 562 L N 0.420 121.652 121.223 0.016 0.000 2.071 562 L HA 0.014 4.359 4.340 0.008 0.000 0.201 562 L C 0.146 177.029 176.870 0.021 0.000 1.076 562 L CA 1.119 55.969 54.840 0.017 0.000 0.755 562 L CB 0.290 42.358 42.059 0.014 0.000 0.915 562 L HN -0.129 nan 8.230 nan 0.000 0.445 563 D N -1.041 119.374 120.400 0.025 0.000 2.467 563 D HA 0.328 4.973 4.640 0.008 0.000 0.245 563 D C -0.588 175.739 176.300 0.045 0.000 1.038 563 D CA -0.486 53.533 54.000 0.033 0.000 1.038 563 D CB 1.236 42.055 40.800 0.032 0.000 1.278 563 D HN -0.096 nan 8.370 nan 0.000 0.564 564 R N 0.263 120.797 120.500 0.056 0.000 2.983 564 R HA 0.348 4.692 4.340 0.008 0.000 0.300 564 R C -2.424 173.941 176.300 0.107 0.000 1.367 564 R CA -1.365 54.783 56.100 0.080 0.000 1.564 564 R CB -0.130 30.211 30.300 0.069 0.000 1.314 564 R HN 0.091 nan 8.270 nan 0.000 0.622 565 P HA -0.055 nan 4.420 nan 0.000 0.263 565 P C 0.209 177.629 177.300 0.200 0.000 1.175 565 P CA 0.292 63.487 63.100 0.158 0.000 0.761 565 P CB 0.873 32.689 31.700 0.194 0.000 0.794 566 E N 2.022 122.272 120.200 0.083 0.000 2.190 566 E HA -0.001 4.354 4.350 0.008 0.000 0.191 566 E C 0.512 176.981 176.600 -0.218 0.000 0.978 566 E CA 0.709 57.096 56.400 -0.022 0.000 0.839 566 E CB 0.201 29.880 29.700 -0.036 0.000 0.787 566 E HN 0.445 nan 8.360 nan 0.000 0.473 567 R N -0.487 119.945 120.500 -0.115 0.000 2.987 567 R HA 0.756 5.101 4.340 0.008 0.000 0.248 567 R C -1.347 175.010 176.300 0.095 0.000 1.264 567 R CA -0.779 55.205 56.100 -0.194 0.000 1.026 567 R CB 2.116 32.338 30.300 -0.130 0.000 1.286 567 R HN -0.014 nan 8.270 nan 0.000 0.483 568 A N 1.145 124.038 122.820 0.121 0.000 2.483 568 A HA 0.343 4.668 4.320 0.008 0.000 0.315 568 A C -2.091 175.544 177.584 0.085 0.000 1.027 568 A CA -0.589 51.552 52.037 0.173 0.000 0.996 568 A CB 0.970 20.173 19.000 0.339 0.000 1.288 568 A HN 0.388 nan 8.150 nan 0.000 0.371 569 L N 3.928 125.125 121.223 -0.043 0.000 2.324 569 L HA 0.757 5.102 4.340 0.008 0.000 0.274 569 L C -1.047 175.777 176.870 -0.077 0.000 1.012 569 L CA -0.221 54.503 54.840 -0.193 0.000 0.859 569 L CB 0.556 42.296 42.059 -0.531 0.000 1.224 569 L HN 0.635 nan 8.230 nan 0.000 0.429 570 L N 4.545 125.813 121.223 0.074 0.000 2.313 570 L HA 0.710 5.055 4.340 0.008 0.000 0.268 570 L C -0.755 176.357 176.870 0.403 0.000 1.010 570 L CA -0.943 54.005 54.840 0.181 0.000 0.814 570 L CB 1.845 43.957 42.059 0.088 0.000 1.304 570 L HN 0.620 nan 8.230 nan 0.000 0.441 571 F N -0.171 119.876 119.950 0.162 0.000 2.641 571 F HA 0.710 5.242 4.527 0.008 0.000 0.308 571 F C -1.189 174.620 175.800 0.016 0.000 1.105 571 F CA -0.545 57.512 58.000 0.096 0.000 0.964 571 F CB 1.734 40.809 39.000 0.125 0.000 1.294 571 F HN 0.563 nan 8.300 nan 0.000 0.442 572 E N 3.159 123.313 120.200 -0.076 0.000 2.343 572 E HA 0.671 5.026 4.350 0.008 0.000 0.278 572 E C -2.302 174.262 176.600 -0.059 0.000 0.910 572 E CA -0.937 55.325 56.400 -0.231 0.000 0.757 572 E CB 2.810 32.394 29.700 -0.193 0.000 1.218 572 E HN 0.704 nan 8.360 nan 0.000 0.435 573 V N 2.580 122.431 119.914 -0.105 0.000 2.495 573 V HA 0.890 5.015 4.120 0.008 0.000 0.298 573 V C 0.220 176.199 176.094 -0.191 0.000 1.031 573 V CA 0.131 62.389 62.300 -0.070 0.000 0.871 573 V CB 1.417 33.241 31.823 0.000 0.000 0.988 573 V HN 0.790 nan 8.190 nan 0.000 0.432 574 G N 3.410 112.110 108.800 -0.167 0.000 2.646 574 G HA2 0.607 4.572 3.960 0.008 0.000 0.291 574 G HA3 0.607 4.572 3.960 0.008 0.000 0.291 574 G C -1.669 173.095 174.900 -0.227 0.000 1.445 574 G CA -1.061 43.906 45.100 -0.221 0.000 0.814 574 G HN 0.453 nan 8.290 nan 0.000 0.495 575 R N -0.697 119.640 120.500 -0.272 0.000 2.438 575 R HA 0.636 4.981 4.340 0.008 0.000 0.287 575 R C -0.050 175.813 176.300 -0.728 0.000 1.077 575 R CA -0.246 55.591 56.100 -0.438 0.000 1.034 575 R CB 1.264 31.339 30.300 -0.375 0.000 0.993 575 R HN 0.325 nan 8.270 nan 0.000 0.459 576 V N 4.369 123.738 119.914 -0.909 0.000 2.864 576 V HA 0.570 4.695 4.120 0.008 0.000 0.314 576 V C -1.116 174.314 176.094 -1.106 0.000 1.073 576 V CA -0.681 61.075 62.300 -0.908 0.000 0.956 576 V CB 1.776 33.068 31.823 -0.886 0.000 1.023 576 V HN 0.541 nan 8.190 nan 0.000 0.435 577 F N 3.536 123.391 119.950 -0.157 0.000 2.499 577 F HA 0.795 5.327 4.527 0.008 0.000 0.333 577 F C 0.165 175.930 175.800 -0.058 0.000 1.138 577 F CA -0.780 57.169 58.000 -0.085 0.000 0.945 577 F CB 1.449 40.416 39.000 -0.055 0.000 1.181 577 F HN 0.455 nan 8.300 nan 0.000 0.435 578 R N 1.638 122.188 120.500 0.084 0.000 3.072 578 R HA 0.530 4.875 4.340 0.008 0.000 0.293 578 R C -0.508 175.831 176.300 0.065 0.000 1.210 578 R CA -0.797 55.347 56.100 0.073 0.000 1.121 578 R CB 0.888 31.214 30.300 0.043 0.000 1.286 578 R HN 0.547 nan 8.270 nan 0.000 0.393 579 E N 0.204 120.448 120.200 0.074 0.000 4.625 579 E HA -0.257 4.098 4.350 0.008 0.000 0.165 579 E C -0.494 176.142 176.600 0.060 0.000 1.173 579 E CA 2.229 58.667 56.400 0.063 0.000 2.452 579 E CB -0.565 29.170 29.700 0.059 0.000 1.745 579 E HN 0.771 nan 8.360 nan 0.000 0.486 580 R N -0.014 120.519 120.500 0.054 0.000 2.739 580 R HA 0.412 4.757 4.340 0.008 0.000 0.271 580 R C -1.293 175.021 176.300 0.023 0.000 1.010 580 R CA -0.688 55.440 56.100 0.047 0.000 0.897 580 R CB 1.824 32.144 30.300 0.033 0.000 1.236 580 R HN 0.069 nan 8.270 nan 0.000 0.466 581 E N 2.471 122.683 120.200 0.020 0.000 2.259 581 E HA 0.052 4.407 4.350 0.008 0.000 0.281 581 E C -0.943 175.580 176.600 -0.128 0.000 1.037 581 E CA -0.077 56.272 56.400 -0.086 0.000 0.854 581 E CB 0.736 30.438 29.700 0.003 0.000 1.051 581 E HN 0.496 nan 8.360 nan 0.000 0.409 582 E N 2.336 122.403 120.200 -0.220 0.000 2.393 582 E HA 0.415 4.770 4.350 0.008 0.000 0.273 582 E C -1.170 175.360 176.600 -0.117 0.000 0.918 582 E CA -1.052 55.285 56.400 -0.104 0.000 0.773 582 E CB 1.627 31.332 29.700 0.010 0.000 1.275 582 E HN 0.215 nan 8.360 nan 0.000 0.451 583 T N 1.467 116.010 114.554 -0.018 0.000 2.767 583 T HA 0.363 4.718 4.350 0.008 0.000 0.284 583 T C -1.046 173.722 174.700 0.113 0.000 0.973 583 T CA -0.418 61.674 62.100 -0.014 0.000 0.996 583 T CB 0.344 69.182 68.868 -0.049 0.000 0.927 583 T HN 0.321 nan 8.240 nan 0.000 0.456 584 H N 1.322 120.295 119.070 -0.161 0.000 2.651 584 H HA 0.757 5.318 4.556 0.008 0.000 0.353 584 H C -0.767 174.488 175.328 -0.122 0.000 1.178 584 H CA -1.149 54.815 56.048 -0.141 0.000 1.224 584 H CB 1.362 31.019 29.762 -0.175 0.000 1.702 584 H HN 0.378 nan 8.280 nan 0.000 0.550 585 L N 1.227 122.435 121.223 -0.024 0.000 2.404 585 L HA 0.792 5.137 4.340 0.008 0.000 0.272 585 L C -1.236 175.536 176.870 -0.164 0.000 0.980 585 L CA -0.451 54.365 54.840 -0.040 0.000 0.836 585 L CB 0.924 42.977 42.059 -0.010 0.000 1.238 585 L HN 0.695 nan 8.230 nan 0.000 0.408 586 A N 3.050 125.730 122.820 -0.234 0.000 2.374 586 A HA 0.986 5.311 4.320 0.008 0.000 0.317 586 A C -0.313 176.909 177.584 -0.604 0.000 1.094 586 A CA -0.040 51.688 52.037 -0.516 0.000 0.765 586 A CB 1.577 20.437 19.000 -0.234 0.000 1.268 586 A HN 1.046 nan 8.150 nan 0.000 0.438 587 G N -0.273 107.829 108.800 -1.163 0.000 2.563 587 G HA2 0.619 4.584 3.960 0.008 0.000 0.302 587 G HA3 0.619 4.584 3.960 0.008 0.000 0.302 587 G C -1.655 173.231 174.900 -0.023 0.000 1.301 587 G CA -0.497 44.380 45.100 -0.371 0.000 0.965 587 G HN 1.096 nan 8.290 nan 0.000 0.480 588 L N 1.356 122.694 121.223 0.191 0.000 2.436 588 L HA 0.781 5.126 4.340 0.008 0.000 0.268 588 L C -1.574 175.416 176.870 0.201 0.000 0.974 588 L CA -1.010 53.946 54.840 0.193 0.000 0.826 588 L CB 2.036 44.177 42.059 0.136 0.000 1.291 588 L HN 0.523 nan 8.230 nan 0.000 0.406 589 L N 5.171 126.543 121.223 0.248 0.000 2.334 589 L HA 0.803 5.148 4.340 0.008 0.000 0.273 589 L C -1.450 175.626 176.870 0.343 0.000 1.013 589 L CA -0.316 54.653 54.840 0.216 0.000 0.816 589 L CB 1.723 43.901 42.059 0.197 0.000 1.278 589 L HN 0.604 nan 8.230 nan 0.000 0.431 590 F N 3.905 123.914 119.950 0.099 0.000 2.704 590 F HA 0.674 5.208 4.527 0.010 0.000 0.312 590 F C -0.388 175.455 175.800 0.071 0.000 1.108 590 F CA 0.443 58.506 58.000 0.104 0.000 1.005 590 F CB 0.878 39.928 39.000 0.082 0.000 1.277 590 F HN 0.998 nan 8.300 nan 0.000 0.445 591 G N 4.556 112.741 108.800 -1.025 0.000 2.384 591 G HA2 0.006 3.971 3.960 0.008 0.000 0.668 591 G HA3 0.006 3.971 3.960 0.008 0.000 0.668 591 G C 0.210 174.902 174.900 -0.347 0.000 1.280 591 G CA -0.046 44.514 45.100 -0.901 0.000 0.992 591 G HN 1.252 nan 8.290 nan 0.000 0.512 592 E N -0.442 119.608 120.200 -0.249 0.000 2.058 592 E HA 0.254 4.609 4.350 0.008 0.000 0.194 592 E C 1.421 177.968 176.600 -0.088 0.000 0.997 592 E CA 1.649 57.973 56.400 -0.126 0.000 0.801 592 E CB 0.057 29.697 29.700 -0.100 0.000 0.746 592 E HN 2.439 nan 8.360 nan 0.000 0.450 593 G N -0.350 108.394 108.800 -0.093 0.000 2.280 593 G HA2 0.017 3.982 3.960 0.008 0.000 0.277 593 G HA3 0.017 3.982 3.960 0.008 0.000 0.277 593 G C -1.233 173.638 174.900 -0.048 0.000 1.288 593 G CA -0.392 44.675 45.100 -0.054 0.000 1.075 593 G HN 0.242 nan 8.290 nan 0.000 0.480 594 V N 0.991 120.884 119.914 -0.035 0.000 2.513 594 V HA 0.926 5.051 4.120 0.008 0.000 0.299 594 V C 0.971 177.019 176.094 -0.077 0.000 1.035 594 V CA 0.913 63.187 62.300 -0.043 0.000 0.889 594 V CB 0.673 32.486 31.823 -0.017 0.000 0.988 594 V HN 2.427 nan 8.190 nan 0.000 0.440 595 G N 3.046 111.783 108.800 -0.106 0.000 2.336 595 G HA2 0.328 4.293 3.960 0.008 0.000 0.286 595 G HA3 0.328 4.293 3.960 0.008 0.000 0.286 595 G C -1.673 173.086 174.900 -0.235 0.000 1.269 595 G CA -1.059 43.947 45.100 -0.156 0.000 0.873 595 G HN 0.575 nan 8.290 nan 0.000 0.494 596 L N 1.652 122.649 121.223 -0.377 0.000 2.319 596 L HA 0.273 4.618 4.340 0.008 0.000 0.280 596 L C -1.339 175.171 176.870 -0.601 0.000 1.099 596 L CA -1.505 52.930 54.840 -0.676 0.000 0.828 596 L CB 1.736 43.062 42.059 -1.220 0.000 1.150 596 L HN 0.322 nan 8.230 nan 0.000 0.442 597 P HA -0.197 nan 4.420 nan 0.000 0.216 597 P C 1.171 178.407 177.300 -0.106 0.000 1.153 597 P CA 1.584 64.570 63.100 -0.190 0.000 0.858 597 P CB 0.017 31.703 31.700 -0.023 0.000 0.789 598 W N -0.763 120.537 121.300 0.000 0.000 2.523 598 W HA 0.424 5.086 4.660 0.004 0.000 0.278 598 W C 1.030 177.549 176.519 0.000 0.000 1.236 598 W CA 0.200 57.545 57.345 0.001 0.000 1.306 598 W CB -1.688 27.772 29.460 0.001 0.000 1.101 598 W HN -0.147 nan 8.180 nan 0.000 0.577 599 A N 2.748 125.428 122.820 -0.233 0.000 2.267 599 A HA 0.226 4.551 4.320 0.008 0.000 0.276 599 A C 1.583 179.106 177.584 -0.102 0.000 1.336 599 A CA 0.904 52.855 52.037 -0.143 0.000 0.815 599 A CB 0.291 19.066 19.000 -0.374 0.000 1.256 599 A HN 0.162 nan 8.150 nan 0.000 0.512 600 K N -1.310 119.041 120.400 -0.082 0.000 2.556 600 K HA 0.187 4.512 4.320 0.008 0.000 0.201 600 K C -0.330 176.230 176.600 -0.066 0.000 1.423 600 K CA 0.128 56.381 56.287 -0.056 0.000 1.010 600 K CB -0.649 31.841 32.500 -0.017 0.000 1.409 600 K HN 0.484 nan 8.250 nan 0.000 0.538 601 E N 2.185 122.343 120.200 -0.071 0.000 2.442 601 E HA 0.158 4.513 4.350 0.008 0.000 0.262 601 E C -0.556 175.995 176.600 -0.082 0.000 1.004 601 E CA 0.662 57.023 56.400 -0.064 0.000 0.928 601 E CB 0.499 30.162 29.700 -0.062 0.000 0.937 601 E HN 0.114 nan 8.360 nan 0.000 0.446 602 R N 1.395 121.858 120.500 -0.062 0.000 2.710 602 R HA 0.485 4.830 4.340 0.008 0.000 0.270 602 R C -1.086 175.187 176.300 -0.044 0.000 1.021 602 R CA -0.824 55.238 56.100 -0.063 0.000 0.889 602 R CB 1.328 31.591 30.300 -0.061 0.000 1.243 602 R HN 0.343 nan 8.270 nan 0.000 0.464 603 L N 1.617 122.813 121.223 -0.044 0.000 2.307 603 L HA 0.651 4.995 4.340 0.008 0.000 0.284 603 L C -0.035 176.827 176.870 -0.013 0.000 1.023 603 L CA -0.205 54.619 54.840 -0.028 0.000 0.810 603 L CB 1.726 43.759 42.059 -0.044 0.000 1.231 603 L HN 0.892 nan 8.230 nan 0.000 0.423 604 S N 1.268 116.971 115.700 0.006 0.000 2.755 604 S HA 0.840 5.315 4.470 0.008 0.000 0.286 604 S C 0.006 174.589 174.600 -0.028 0.000 1.207 604 S CA -0.233 57.967 58.200 -0.001 0.000 0.892 604 S CB 0.803 64.001 63.200 -0.003 0.000 1.240 604 S HN 1.195 nan 8.310 nan 0.000 0.525 605 G N 0.766 109.514 108.800 -0.088 0.000 2.622 605 G HA2 -0.302 3.663 3.960 0.008 0.000 0.272 605 G HA3 -0.302 3.663 3.960 0.008 0.000 0.272 605 G C 0.338 174.835 174.900 -0.671 0.000 1.308 605 G CA 1.017 45.839 45.100 -0.463 0.000 0.919 605 G HN 1.827 nan 8.290 nan 0.000 0.565 606 Y N -0.070 119.528 120.300 -1.170 0.000 2.024 606 Y HA -0.278 4.276 4.550 0.007 0.000 0.257 606 Y C 2.691 178.358 175.900 -0.388 0.000 1.233 606 Y CA 3.494 61.222 58.100 -0.619 0.000 1.087 606 Y CB -0.665 37.478 38.460 -0.529 0.000 0.905 606 Y HN 0.409 nan 8.280 nan 0.000 0.503 607 F N -1.028 118.885 119.950 -0.062 0.000 2.546 607 F HA -0.115 4.418 4.527 0.010 0.000 0.298 607 F C 1.964 177.688 175.800 -0.128 0.000 1.120 607 F CA 0.889 58.831 58.000 -0.097 0.000 1.456 607 F CB -0.604 38.411 39.000 0.026 0.000 1.088 607 F HN 0.214 nan 8.300 nan 0.000 0.572 608 L N -0.581 120.645 121.223 0.004 0.000 2.127 608 L HA -0.026 4.319 4.340 0.008 0.000 0.203 608 L C 2.045 178.949 176.870 0.057 0.000 1.080 608 L CA 1.500 56.351 54.840 0.018 0.000 0.768 608 L CB -0.734 41.345 42.059 0.033 0.000 0.924 608 L HN 0.128 nan 8.230 nan 0.000 0.444 609 L N -0.257 120.954 121.223 -0.020 0.000 2.027 609 L HA -0.234 4.111 4.340 0.008 0.000 0.206 609 L C 2.571 179.417 176.870 -0.040 0.000 1.074 609 L CA 1.759 56.620 54.840 0.034 0.000 0.745 609 L CB -0.302 41.766 42.059 0.015 0.000 0.898 609 L HN 0.355 nan 8.230 nan 0.000 0.433 610 K N -0.416 119.846 120.400 -0.230 0.000 2.281 610 K HA -0.142 4.183 4.320 0.008 0.000 0.203 610 K C 1.765 178.388 176.600 0.038 0.000 1.046 610 K CA 1.210 57.424 56.287 -0.122 0.000 0.938 610 K CB -0.130 32.198 32.500 -0.286 0.000 0.737 610 K HN 0.408 nan 8.250 nan 0.000 0.458 611 G N -0.100 108.705 108.800 0.008 0.000 2.424 611 G HA2 -0.229 3.736 3.960 0.008 0.000 0.214 611 G HA3 -0.229 3.736 3.960 0.008 0.000 0.214 611 G C 1.026 175.899 174.900 -0.045 0.000 1.202 611 G CA 0.594 45.677 45.100 -0.028 0.000 0.793 611 G HN 0.279 nan 8.290 nan 0.000 0.534 612 Y N 0.790 121.080 120.300 -0.016 0.000 2.193 612 Y HA -0.054 4.501 4.550 0.008 0.000 0.285 612 Y C 2.805 178.672 175.900 -0.056 0.000 1.166 612 Y CA 1.050 59.166 58.100 0.026 0.000 1.181 612 Y CB -0.311 38.214 38.460 0.109 0.000 0.976 612 Y HN 0.064 nan 8.280 nan 0.000 0.520 613 L N -0.533 120.678 121.223 -0.020 0.000 2.093 613 L HA -0.213 4.132 4.340 0.008 0.000 0.208 613 L C 2.211 178.835 176.870 -0.410 0.000 1.085 613 L CA 1.383 55.985 54.840 -0.396 0.000 0.755 613 L CB -0.430 41.248 42.059 -0.636 0.000 0.904 613 L HN 0.260 nan 8.230 nan 0.000 0.435 614 E N -0.072 120.046 120.200 -0.136 0.000 2.153 614 E HA -0.206 4.149 4.350 0.008 0.000 0.194 614 E C 2.266 178.878 176.600 0.019 0.000 0.988 614 E CA 1.040 57.483 56.400 0.071 0.000 0.811 614 E CB -0.088 29.726 29.700 0.190 0.000 0.746 614 E HN 0.505 nan 8.360 nan 0.000 0.466 615 A N 1.219 124.017 122.820 -0.037 0.000 1.873 615 A HA -0.166 4.159 4.320 0.008 0.000 0.215 615 A C 2.158 179.676 177.584 -0.110 0.000 1.186 615 A CA 0.985 52.996 52.037 -0.043 0.000 0.616 615 A CB -0.645 18.339 19.000 -0.026 0.000 0.823 615 A HN 0.236 nan 8.150 nan 0.000 0.442 616 L N -1.132 119.953 121.223 -0.229 0.000 1.997 616 L HA -0.188 4.157 4.340 0.008 0.000 0.216 616 L C 2.174 178.749 176.870 -0.493 0.000 1.074 616 L CA 2.269 56.839 54.840 -0.450 0.000 0.763 616 L CB -0.787 40.811 42.059 -0.768 0.000 0.890 616 L HN 0.365 nan 8.230 nan 0.000 0.434 617 F N -0.568 119.235 119.950 -0.245 0.000 2.407 617 F HA 0.012 4.544 4.527 0.007 0.000 0.299 617 F C 2.367 178.126 175.800 -0.068 0.000 1.097 617 F CA 0.839 58.747 58.000 -0.154 0.000 1.422 617 F CB -1.043 37.871 39.000 -0.143 0.000 1.067 617 F HN 0.202 nan 8.300 nan 0.000 0.539 618 A N -0.193 122.671 122.820 0.073 0.000 1.897 618 A HA -0.118 4.207 4.320 0.008 0.000 0.215 618 A C 2.379 179.969 177.584 0.010 0.000 1.181 618 A CA 1.008 53.078 52.037 0.056 0.000 0.620 618 A CB -0.413 18.610 19.000 0.039 0.000 0.821 618 A HN 0.093 nan 8.150 nan 0.000 0.443 619 R N 0.223 120.697 120.500 -0.042 0.000 2.081 619 R HA 0.009 4.354 4.340 0.008 0.000 0.235 619 R C 1.745 178.008 176.300 -0.062 0.000 1.131 619 R CA 1.408 57.471 56.100 -0.061 0.000 0.960 619 R CB -0.895 29.343 30.300 -0.103 0.000 0.856 619 R HN 0.580 nan 8.270 nan 0.000 0.436 620 L N -0.631 120.540 121.223 -0.088 0.000 2.552 620 L HA 0.133 4.478 4.340 0.008 0.000 0.227 620 L C 1.024 177.902 176.870 0.013 0.000 1.146 620 L CA 0.630 55.432 54.840 -0.063 0.000 0.858 620 L CB -0.296 41.692 42.059 -0.117 0.000 0.969 620 L HN 0.405 nan 8.230 nan 0.000 0.451 621 G N 1.258 110.081 108.800 0.039 0.000 2.272 621 G HA2 -0.260 3.704 3.960 0.008 0.000 0.280 621 G HA3 -0.260 3.704 3.960 0.008 0.000 0.280 621 G C -0.234 174.717 174.900 0.086 0.000 1.067 621 G CA -0.005 45.129 45.100 0.057 0.000 0.902 621 G HN 0.256 nan 8.290 nan 0.000 0.500 622 L N -0.674 120.637 121.223 0.146 0.000 2.401 622 L HA 0.794 5.139 4.340 0.008 0.000 0.266 622 L C 0.756 177.710 176.870 0.140 0.000 0.991 622 L CA -0.983 53.952 54.840 0.158 0.000 0.818 622 L CB 2.112 44.322 42.059 0.251 0.000 1.321 622 L HN 0.324 nan 8.230 nan 0.000 0.413 623 A N 2.111 124.965 122.820 0.057 0.000 2.492 623 A HA 0.349 4.674 4.320 0.008 0.000 0.254 623 A C -0.969 176.593 177.584 -0.037 0.000 1.091 623 A CA 0.361 52.411 52.037 0.023 0.000 0.768 623 A CB -0.223 18.771 19.000 -0.009 0.000 1.028 623 A HN 0.487 nan 8.150 nan 0.000 0.498 624 F N 3.878 123.708 119.950 -0.200 0.000 2.496 624 F HA 0.608 5.139 4.527 0.007 0.000 0.341 624 F C -0.140 175.561 175.800 -0.165 0.000 1.134 624 F CA -0.757 57.029 58.000 -0.356 0.000 0.968 624 F CB 1.227 39.985 39.000 -0.403 0.000 1.205 624 F HN 0.704 nan 8.300 nan 0.000 0.436 625 R N 4.777 124.872 120.500 -0.675 0.000 2.740 625 R HA 0.853 5.198 4.340 0.008 0.000 0.282 625 R C -2.215 173.700 176.300 -0.643 0.000 0.969 625 R CA -0.732 55.034 56.100 -0.556 0.000 0.918 625 R CB 2.148 32.306 30.300 -0.237 0.000 1.175 625 R HN 0.457 nan 8.270 nan 0.000 0.464 626 V N 3.774 123.432 119.914 -0.426 0.000 2.385 626 V HA 0.261 4.386 4.120 0.008 0.000 0.277 626 V C -0.587 175.490 176.094 -0.028 0.000 1.012 626 V CA -0.686 61.485 62.300 -0.214 0.000 0.832 626 V CB 1.127 32.861 31.823 -0.149 0.000 1.028 626 V HN 0.846 nan 8.190 nan 0.000 0.436 627 E N 2.486 122.687 120.200 0.003 0.000 2.318 627 E HA 0.682 5.036 4.350 0.008 0.000 0.265 627 E C 0.212 176.854 176.600 0.071 0.000 1.069 627 E CA -0.565 55.857 56.400 0.036 0.000 0.893 627 E CB 1.586 31.299 29.700 0.023 0.000 1.076 627 E HN 0.714 nan 8.360 nan 0.000 0.414 628 A N 2.267 125.117 122.820 0.049 0.000 2.409 628 A HA 0.209 4.534 4.320 0.008 0.000 0.262 628 A C -0.181 177.416 177.584 0.022 0.000 1.113 628 A CA 0.171 52.232 52.037 0.040 0.000 0.790 628 A CB 0.428 19.436 19.000 0.013 0.000 1.046 628 A HN 0.582 nan 8.150 nan 0.000 0.496 629 Q N 1.121 120.932 119.800 0.020 0.000 2.438 629 Q HA 0.546 4.891 4.340 0.008 0.000 0.272 629 Q C -1.102 174.771 176.000 -0.211 0.000 0.994 629 Q CA -0.553 55.187 55.803 -0.106 0.000 0.887 629 Q CB 1.749 30.418 28.738 -0.116 0.000 1.432 629 Q HN 1.206 nan 8.270 nan 0.000 0.392 630 A N 2.449 125.061 122.820 -0.347 0.000 2.354 630 A HA 0.730 5.055 4.320 0.008 0.000 0.269 630 A C -1.329 175.831 177.584 -0.706 0.000 1.109 630 A CA 0.085 51.914 52.037 -0.347 0.000 0.800 630 A CB 0.140 19.003 19.000 -0.227 0.000 1.045 630 A HN 0.483 nan 8.150 nan 0.000 0.489 631 F N 2.271 122.054 119.950 -0.280 0.000 2.617 631 F HA 0.396 4.928 4.527 0.007 0.000 0.325 631 F C -1.867 173.509 175.800 -0.707 0.000 1.179 631 F CA -1.548 56.089 58.000 -0.605 0.000 0.965 631 F CB 2.224 40.676 39.000 -0.913 0.000 1.232 631 F HN 0.408 nan 8.300 nan 0.000 0.461 632 P HA -0.282 nan 4.420 nan 0.000 0.222 632 P C 1.072 178.258 177.300 -0.191 0.000 1.155 632 P CA 1.967 64.920 63.100 -0.244 0.000 0.890 632 P CB -0.143 31.485 31.700 -0.120 0.000 0.790 633 F N -3.423 116.557 119.950 0.049 0.000 2.732 633 F HA 0.359 4.891 4.527 0.008 0.000 0.303 633 F C 0.423 176.212 175.800 -0.020 0.000 1.110 633 F CA -0.699 57.314 58.000 0.020 0.000 1.355 633 F CB -0.969 38.058 39.000 0.045 0.000 1.081 633 F HN -0.226 nan 8.300 nan 0.000 0.565 634 L N 0.724 121.925 121.223 -0.037 0.000 2.354 634 L HA 0.339 4.683 4.340 0.008 0.000 0.269 634 L C 0.044 176.976 176.870 0.103 0.000 1.005 634 L CA -1.321 53.560 54.840 0.069 0.000 0.819 634 L CB 1.175 43.239 42.059 0.007 0.000 1.311 634 L HN 0.024 nan 8.230 nan 0.000 0.423 635 H N 3.600 122.636 119.070 -0.057 0.000 3.070 635 H HA 0.025 4.586 4.556 0.009 0.000 0.313 635 H C -2.064 173.190 175.328 -0.123 0.000 0.997 635 H CA -1.171 54.756 56.048 -0.201 0.000 1.438 635 H CB 1.460 31.132 29.762 -0.150 0.000 1.455 635 H HN 0.292 nan 8.280 nan 0.000 0.575 636 P HA -0.058 nan 4.420 nan 0.000 0.220 636 P C 1.194 178.592 177.300 0.164 0.000 1.148 636 P CA 1.726 64.856 63.100 0.049 0.000 0.803 636 P CB 0.159 31.822 31.700 -0.062 0.000 0.782 637 G N -1.375 107.708 108.800 0.472 0.000 2.744 637 G HA2 0.032 3.997 3.960 0.008 0.000 0.211 637 G HA3 0.032 3.997 3.960 0.008 0.000 0.211 637 G C 0.383 175.201 174.900 -0.137 0.000 1.146 637 G CA 0.185 45.363 45.100 0.130 0.000 0.787 637 G HN 0.187 nan 8.290 nan 0.000 0.534 638 V N 1.206 121.015 119.914 -0.175 0.000 2.446 638 V HA 0.539 4.664 4.120 0.008 0.000 0.257 638 V C -0.232 175.832 176.094 -0.051 0.000 1.036 638 V CA -0.540 61.596 62.300 -0.272 0.000 1.196 638 V CB 0.483 32.110 31.823 -0.327 0.000 1.446 638 V HN 0.173 nan 8.190 nan 0.000 0.558 639 S N 1.167 116.864 115.700 -0.006 0.000 2.572 639 S HA 0.890 5.364 4.470 0.008 0.000 0.274 639 S C -0.321 174.382 174.600 0.172 0.000 1.150 639 S CA 0.219 58.503 58.200 0.139 0.000 0.944 639 S CB 1.848 65.135 63.200 0.145 0.000 1.071 639 S HN 0.847 nan 8.310 nan 0.000 0.479 640 G N 2.895 111.888 108.800 0.322 0.000 2.677 640 G HA2 0.621 4.586 3.960 0.008 0.000 0.291 640 G HA3 0.621 4.586 3.960 0.008 0.000 0.291 640 G C -1.440 173.755 174.900 0.492 0.000 1.435 640 G CA -0.997 44.295 45.100 0.320 0.000 0.826 640 G HN 0.905 nan 8.290 nan 0.000 0.491 641 R N -0.613 120.148 120.500 0.436 0.000 2.573 641 R HA 0.774 5.119 4.340 0.008 0.000 0.272 641 R C -0.945 175.495 176.300 0.233 0.000 1.009 641 R CA -0.717 55.658 56.100 0.459 0.000 1.059 641 R CB 1.742 32.299 30.300 0.430 0.000 1.112 641 R HN 0.229 nan 8.270 nan 0.000 0.517 642 V N 2.771 122.802 119.914 0.195 0.000 2.481 642 V HA 0.290 4.415 4.120 0.008 0.000 0.286 642 V C -0.255 175.849 176.094 0.018 0.000 1.042 642 V CA -0.849 61.504 62.300 0.087 0.000 0.928 642 V CB 1.551 33.478 31.823 0.174 0.000 0.986 642 V HN 0.542 nan 8.190 nan 0.000 0.462 643 L N 5.625 126.790 121.223 -0.097 0.000 2.417 643 L HA 0.422 4.767 4.340 0.008 0.000 0.259 643 L C -0.312 176.469 176.870 -0.149 0.000 1.023 643 L CA -0.199 54.584 54.840 -0.094 0.000 0.901 643 L CB 1.300 43.305 42.059 -0.090 0.000 1.227 643 L HN 0.372 nan 8.230 nan 0.000 0.454 644 V N 3.395 123.226 119.914 -0.137 0.000 2.461 644 V HA 0.213 4.337 4.120 0.008 0.000 0.275 644 V C 0.983 177.021 176.094 -0.092 0.000 1.047 644 V CA -0.387 61.791 62.300 -0.203 0.000 0.955 644 V CB 0.883 32.576 31.823 -0.216 0.000 0.988 644 V HN 0.725 nan 8.190 nan 0.000 0.471 645 E N 4.003 124.158 120.200 -0.076 0.000 2.403 645 E HA -0.309 4.046 4.350 0.008 0.000 0.241 645 E C 1.314 177.896 176.600 -0.029 0.000 1.201 645 E CA 1.068 57.450 56.400 -0.031 0.000 0.721 645 E CB -1.336 28.361 29.700 -0.004 0.000 1.245 645 E HN 1.486 nan 8.360 nan 0.000 0.392 646 G N -0.218 108.555 108.800 -0.044 0.000 2.225 646 G HA2 -0.351 3.614 3.960 0.008 0.000 0.254 646 G HA3 -0.351 3.614 3.960 0.008 0.000 0.254 646 G C 0.045 174.933 174.900 -0.020 0.000 0.988 646 G CA 0.701 45.782 45.100 -0.032 0.000 0.625 646 G HN 0.498 nan 8.290 nan 0.000 0.527 647 E N 0.515 120.705 120.200 -0.017 0.000 2.195 647 E HA 0.637 4.992 4.350 0.008 0.000 0.271 647 E C -0.346 176.258 176.600 0.007 0.000 0.923 647 E CA -0.965 55.435 56.400 0.000 0.000 0.790 647 E CB 1.895 31.599 29.700 0.006 0.000 1.155 647 E HN 0.280 nan 8.360 nan 0.000 0.402 648 E N 2.067 122.285 120.200 0.030 0.000 2.328 648 E HA 0.040 4.395 4.350 0.008 0.000 0.265 648 E C 0.319 176.953 176.600 0.058 0.000 1.057 648 E CA -0.165 56.270 56.400 0.059 0.000 0.916 648 E CB 0.800 30.557 29.700 0.095 0.000 0.993 648 E HN 0.560 nan 8.360 nan 0.000 0.446 649 V N 1.157 121.101 119.914 0.050 0.000 3.330 649 V HA 0.602 4.727 4.120 0.008 0.000 0.309 649 V C 0.436 176.533 176.094 0.005 0.000 1.481 649 V CA 0.377 62.690 62.300 0.021 0.000 1.068 649 V CB 0.216 32.044 31.823 0.008 0.000 0.935 649 V HN 0.693 nan 8.190 nan 0.000 0.453 650 G N 0.949 109.786 108.800 0.062 0.000 2.399 650 G HA2 0.472 4.437 3.960 0.008 0.000 0.256 650 G HA3 0.472 4.437 3.960 0.008 0.000 0.256 650 G C -1.335 173.632 174.900 0.113 0.000 1.236 650 G CA 0.020 45.126 45.100 0.009 0.000 0.914 650 G HN 1.005 nan 8.290 nan 0.000 0.482 651 F N -1.532 118.440 119.950 0.037 0.000 2.754 651 F HA 0.965 5.496 4.527 0.007 0.000 0.320 651 F C -1.425 174.476 175.800 0.168 0.000 1.156 651 F CA -1.690 56.293 58.000 -0.028 0.000 0.950 651 F CB 1.829 40.450 39.000 -0.632 0.000 1.388 651 F HN 1.068 nan 8.300 nan 0.000 0.485 652 L N 0.669 122.284 121.223 0.653 0.000 2.592 652 L HA 0.891 5.236 4.340 0.008 0.000 0.258 652 L C -0.663 176.550 176.870 0.571 0.000 0.926 652 L CA 0.437 55.629 54.840 0.585 0.000 0.885 652 L CB 1.761 44.060 42.059 0.400 0.000 1.380 652 L HN 1.581 nan 8.230 nan 0.000 0.415 653 G N 2.137 111.265 108.800 0.546 0.000 2.323 653 G HA2 0.660 4.625 3.960 0.008 0.000 0.291 653 G HA3 0.660 4.625 3.960 0.008 0.000 0.291 653 G C -1.869 173.277 174.900 0.410 0.000 1.278 653 G CA -0.156 45.231 45.100 0.478 0.000 0.860 653 G HN 1.130 nan 8.290 nan 0.000 0.504 654 A N -0.538 122.437 122.820 0.259 0.000 2.301 654 A HA 0.715 5.040 4.320 0.008 0.000 0.312 654 A C -0.008 177.614 177.584 0.063 0.000 1.182 654 A CA -0.478 51.582 52.037 0.038 0.000 0.826 654 A CB 1.230 20.162 19.000 -0.114 0.000 1.134 654 A HN 1.907 nan 8.150 nan 0.000 0.501 655 L N 3.121 124.360 121.223 0.026 0.000 2.540 655 L HA 0.039 4.384 4.340 0.008 0.000 0.276 655 L C 0.858 177.804 176.870 0.127 0.000 1.212 655 L CA 0.402 55.297 54.840 0.092 0.000 0.893 655 L CB -0.262 41.857 42.059 0.099 0.000 1.138 655 L HN 0.782 nan 8.230 nan 0.000 0.491 656 H N 7.097 126.209 119.070 0.070 0.000 3.140 656 H HA -0.039 4.523 4.556 0.009 0.000 0.316 656 H C -1.834 173.502 175.328 0.014 0.000 0.986 656 H CA -0.596 55.471 56.048 0.032 0.000 1.397 656 H CB 0.863 30.629 29.762 0.006 0.000 1.377 656 H HN 0.565 nan 8.280 nan 0.000 0.585 657 P HA -0.158 nan 4.420 nan 0.000 0.215 657 P C 1.201 178.593 177.300 0.154 0.000 1.157 657 P CA 1.720 64.846 63.100 0.044 0.000 0.874 657 P CB 0.254 31.901 31.700 -0.089 0.000 0.790 658 E N -0.819 119.591 120.200 0.349 0.000 2.085 658 E HA -0.166 4.189 4.350 0.008 0.000 0.194 658 E C 1.989 178.618 176.600 0.050 0.000 0.994 658 E CA 0.994 57.486 56.400 0.153 0.000 0.801 658 E CB -0.524 29.215 29.700 0.064 0.000 0.743 658 E HN 0.179 nan 8.360 nan 0.000 0.453 659 I N 1.303 121.910 120.570 0.062 0.000 2.142 659 I HA -0.260 3.915 4.170 0.008 0.000 0.240 659 I C 2.642 178.745 176.117 -0.024 0.000 1.078 659 I CA 1.260 62.537 61.300 -0.039 0.000 1.343 659 I CB -1.542 36.468 38.000 0.017 0.000 1.046 659 I HN 0.031 nan 8.210 nan 0.000 0.405 660 A N 0.274 123.122 122.820 0.047 0.000 1.903 660 A HA -0.294 4.031 4.320 0.008 0.000 0.219 660 A C 2.236 179.831 177.584 0.017 0.000 1.191 660 A CA 1.989 54.050 52.037 0.040 0.000 0.638 660 A CB -0.701 18.335 19.000 0.060 0.000 0.823 660 A HN 0.398 nan 8.150 nan 0.000 0.451 661 Q N -0.686 119.127 119.800 0.021 0.000 2.050 661 Q HA -0.151 4.194 4.340 0.008 0.000 0.202 661 Q C 1.990 177.983 176.000 -0.012 0.000 0.980 661 Q CA 1.800 57.609 55.803 0.010 0.000 0.840 661 Q CB -0.434 28.314 28.738 0.016 0.000 0.898 661 Q HN 0.836 nan 8.270 nan 0.000 0.424 662 E N -0.379 119.800 120.200 -0.036 0.000 2.265 662 E HA -0.145 4.210 4.350 0.008 0.000 0.196 662 E C 0.902 177.466 176.600 -0.061 0.000 0.996 662 E CA 0.583 56.948 56.400 -0.058 0.000 0.832 662 E CB 0.067 29.709 29.700 -0.097 0.000 0.756 662 E HN 0.315 nan 8.360 nan 0.000 0.491 663 L N 0.234 121.424 121.223 -0.056 0.000 2.640 663 L HA 0.145 4.490 4.340 0.008 0.000 0.230 663 L C -0.180 176.684 176.870 -0.010 0.000 1.123 663 L CA 0.036 54.854 54.840 -0.037 0.000 0.900 663 L CB 0.174 42.212 42.059 -0.036 0.000 1.146 663 L HN 0.015 nan 8.230 nan 0.000 0.484 664 E N 1.000 121.197 120.200 -0.004 0.000 2.271 664 E HA -0.194 4.161 4.350 0.008 0.000 0.223 664 E C -0.702 175.905 176.600 0.012 0.000 1.223 664 E CA 0.226 56.630 56.400 0.008 0.000 0.704 664 E CB -1.686 28.019 29.700 0.008 0.000 1.194 664 E HN 0.402 nan 8.360 nan 0.000 0.375 665 L N -0.237 120.997 121.223 0.018 0.000 2.381 665 L HA 0.561 4.906 4.340 0.008 0.000 0.268 665 L C -2.077 174.829 176.870 0.059 0.000 0.997 665 L CA -2.334 52.517 54.840 0.019 0.000 0.818 665 L CB 1.506 43.564 42.059 -0.002 0.000 1.310 665 L HN -0.139 nan 8.230 nan 0.000 0.416 666 P HA 0.119 nan 4.420 nan 0.000 0.272 666 P C -2.536 174.856 177.300 0.154 0.000 1.254 666 P CA -0.866 62.333 63.100 0.164 0.000 0.795 666 P CB -0.320 31.559 31.700 0.299 0.000 1.022 667 P HA -0.001 nan 4.420 nan 0.000 0.264 667 P C -0.966 176.385 177.300 0.086 0.000 1.193 667 P CA 0.640 63.780 63.100 0.067 0.000 0.763 667 P CB 0.304 32.039 31.700 0.057 0.000 0.810 668 V N 4.809 124.707 119.914 -0.026 0.000 2.540 668 V HA 0.326 4.450 4.120 0.008 0.000 0.302 668 V C 0.195 176.215 176.094 -0.123 0.000 1.035 668 V CA -0.613 61.712 62.300 0.042 0.000 0.873 668 V CB 1.632 33.511 31.823 0.093 0.000 0.992 668 V HN 0.620 nan 8.190 nan 0.000 0.428 669 H N 5.138 124.334 119.070 0.210 0.000 2.492 669 H HA 0.856 5.417 4.556 0.008 0.000 0.345 669 H C -0.789 174.681 175.328 0.237 0.000 1.136 669 H CA -0.428 55.749 56.048 0.215 0.000 1.202 669 H CB 2.292 32.172 29.762 0.197 0.000 1.524 669 H HN 0.557 nan 8.280 nan 0.000 0.506 670 L N -0.155 121.300 121.223 0.388 0.000 2.999 670 L HA 0.608 4.953 4.340 0.008 0.000 0.274 670 L C -1.298 175.859 176.870 0.477 0.000 1.044 670 L CA -1.237 53.824 54.840 0.368 0.000 0.943 670 L CB 0.915 43.101 42.059 0.211 0.000 1.522 670 L HN 0.457 nan 8.230 nan 0.000 0.400 671 F N -2.162 117.873 119.950 0.142 0.000 2.662 671 F HA 0.936 5.468 4.527 0.008 0.000 0.312 671 F C -0.982 174.566 175.800 -0.421 0.000 1.113 671 F CA -0.706 57.213 58.000 -0.136 0.000 0.951 671 F CB 1.971 40.952 39.000 -0.031 0.000 1.344 671 F HN 0.808 nan 8.300 nan 0.000 0.462 672 E N 1.983 121.650 120.200 -0.888 0.000 2.311 672 E HA 0.636 4.990 4.350 0.008 0.000 0.281 672 E C -2.062 174.284 176.600 -0.422 0.000 0.905 672 E CA -0.571 55.435 56.400 -0.656 0.000 0.778 672 E CB 2.017 31.387 29.700 -0.551 0.000 1.240 672 E HN 0.805 nan 8.360 nan 0.000 0.410 673 L N 2.313 123.406 121.223 -0.217 0.000 2.279 673 L HA 0.678 5.023 4.340 0.008 0.000 0.262 673 L C -0.156 176.471 176.870 -0.406 0.000 1.019 673 L CA -1.260 53.468 54.840 -0.187 0.000 0.823 673 L CB 1.916 43.991 42.059 0.026 0.000 1.358 673 L HN 0.429 nan 8.230 nan 0.000 0.432 674 R N 0.858 121.155 120.500 -0.340 0.000 2.460 674 R HA 0.726 5.071 4.340 0.008 0.000 0.303 674 R C -1.491 174.721 176.300 -0.146 0.000 0.968 674 R CA -0.483 55.392 56.100 -0.374 0.000 0.889 674 R CB 1.201 31.333 30.300 -0.281 0.000 1.123 674 R HN 0.546 nan 8.270 nan 0.000 0.455 675 L N 4.618 125.781 121.223 -0.101 0.000 2.334 675 L HA 0.623 4.968 4.340 0.008 0.000 0.270 675 L C -1.819 175.032 176.870 -0.032 0.000 1.018 675 L CA -2.354 52.455 54.840 -0.050 0.000 0.811 675 L CB 1.777 43.807 42.059 -0.049 0.000 1.271 675 L HN 0.621 nan 8.230 nan 0.000 0.443 676 P HA 0.223 nan 4.420 nan 0.000 0.279 676 P C -0.664 176.634 177.300 -0.002 0.000 1.239 676 P CA -0.452 62.639 63.100 -0.016 0.000 0.789 676 P CB 1.005 32.699 31.700 -0.010 0.000 0.933 677 L N 3.850 125.079 121.223 0.009 0.000 2.483 677 L HA 0.120 4.465 4.340 0.008 0.000 0.275 677 L C -1.710 175.186 176.870 0.044 0.000 1.220 677 L CA -1.540 53.330 54.840 0.048 0.000 0.833 677 L CB -0.679 41.436 42.059 0.093 0.000 1.102 677 L HN 0.269 nan 8.230 nan 0.000 0.490 678 P HA -0.046 nan 4.420 nan 0.000 0.266 678 P C -1.078 176.247 177.300 0.042 0.000 1.193 678 P CA 0.206 63.328 63.100 0.036 0.000 0.770 678 P CB 0.417 32.135 31.700 0.030 0.000 0.836 679 D N 1.886 122.304 120.400 0.030 0.000 2.308 679 D HA 0.200 4.845 4.640 0.008 0.000 0.242 679 D C -0.594 175.722 176.300 0.028 0.000 1.059 679 D CA -0.315 53.702 54.000 0.029 0.000 0.830 679 D CB 0.991 41.804 40.800 0.021 0.000 1.161 679 D HN 0.136 nan 8.370 nan 0.000 0.494 680 K N 4.374 124.794 120.400 0.032 0.000 2.339 680 K HA 0.396 4.721 4.320 0.008 0.000 0.264 680 K C -2.203 174.415 176.600 0.029 0.000 0.986 680 K CA -1.429 54.876 56.287 0.030 0.000 0.866 680 K CB 1.352 33.872 32.500 0.034 0.000 1.103 680 K HN 0.261 nan 8.250 nan 0.000 0.441 681 P HA 0.027 nan 4.420 nan 0.000 0.272 681 P C -0.631 176.690 177.300 0.037 0.000 1.223 681 P CA -0.709 62.409 63.100 0.029 0.000 0.784 681 P CB 0.649 32.364 31.700 0.026 0.000 0.923 682 L N 1.403 122.652 121.223 0.043 0.000 2.426 682 L HA 0.398 4.742 4.340 0.008 0.000 0.271 682 L C 0.070 176.984 176.870 0.072 0.000 1.169 682 L CA 0.208 55.086 54.840 0.063 0.000 0.836 682 L CB 0.028 42.129 42.059 0.070 0.000 1.112 682 L HN 0.580 nan 8.230 nan 0.000 0.465 683 A N 5.452 128.322 122.820 0.084 0.000 3.266 683 A HA 0.267 4.592 4.320 0.008 0.000 0.310 683 A C -0.506 177.137 177.584 0.099 0.000 1.066 683 A CA -0.559 51.525 52.037 0.078 0.000 0.839 683 A CB -0.600 18.422 19.000 0.036 0.000 1.192 683 A HN 0.606 nan 8.150 nan 0.000 0.496 684 F N 1.580 121.534 119.950 0.007 0.000 2.604 684 F HA 0.098 4.630 4.527 0.008 0.000 0.390 684 F C 0.240 176.044 175.800 0.007 0.000 1.053 684 F CA 1.194 59.199 58.000 0.007 0.000 1.256 684 F CB 0.688 39.693 39.000 0.008 0.000 0.996 684 F HN 0.491 nan 8.300 nan 0.000 0.564 685 Q N 5.496 124.815 119.800 -0.802 0.000 2.456 685 Q HA 0.116 4.461 4.340 0.008 0.000 0.252 685 Q C -0.784 174.676 176.000 -0.899 0.000 1.042 685 Q CA -0.628 54.810 55.803 -0.608 0.000 0.766 685 Q CB 0.995 29.546 28.738 -0.312 0.000 1.196 685 Q HN 0.605 nan 8.270 nan 0.000 0.504 686 D N 4.566 124.516 120.400 -0.750 0.000 2.520 686 D HA 0.024 4.669 4.640 0.008 0.000 0.243 686 D C -1.809 174.354 176.300 -0.229 0.000 1.160 686 D CA -0.460 53.287 54.000 -0.422 0.000 0.877 686 D CB 0.870 41.636 40.800 -0.057 0.000 1.150 686 D HN 0.223 nan 8.370 nan 0.000 0.494 687 P HA 0.045 nan 4.420 nan 0.000 0.276 687 P C -0.397 176.906 177.300 0.004 0.000 1.230 687 P CA -0.513 62.551 63.100 -0.060 0.000 0.776 687 P CB 1.002 32.690 31.700 -0.020 0.000 0.888 688 S N 2.664 118.377 115.700 0.021 0.000 2.549 688 S HA 0.051 4.526 4.470 0.008 0.000 0.283 688 S C 1.448 176.115 174.600 0.111 0.000 1.320 688 S CA -0.521 57.733 58.200 0.089 0.000 1.058 688 S CB 0.210 63.464 63.200 0.090 0.000 0.882 688 S HN 0.242 nan 8.310 nan 0.000 0.498 689 R N 2.705 123.294 120.500 0.148 0.000 2.093 689 R HA 0.064 4.409 4.340 0.008 0.000 0.224 689 R C 0.348 176.635 176.300 -0.022 0.000 1.101 689 R CA 0.939 57.051 56.100 0.019 0.000 0.979 689 R CB -1.445 28.799 30.300 -0.093 0.000 0.877 689 R HN 0.735 nan 8.270 nan 0.000 0.441 690 H N 1.850 120.934 119.070 0.023 0.000 2.836 690 H HA 0.099 4.660 4.556 0.008 0.000 0.368 690 H C -1.855 173.495 175.328 0.036 0.000 1.164 690 H CA -1.196 54.866 56.048 0.022 0.000 1.425 690 H CB -0.589 29.183 29.762 0.016 0.000 1.414 690 H HN 0.068 nan 8.280 nan 0.000 0.614 691 P HA 0.188 nan 4.420 nan 0.000 0.270 691 P C -0.943 176.455 177.300 0.163 0.000 1.223 691 P CA -0.376 62.800 63.100 0.127 0.000 0.785 691 P CB 0.760 32.511 31.700 0.085 0.000 0.923 692 A N 1.335 124.289 122.820 0.223 0.000 2.330 692 A HA 0.632 4.957 4.320 0.008 0.000 0.327 692 A C 0.010 177.824 177.584 0.382 0.000 1.155 692 A CA -0.777 51.407 52.037 0.246 0.000 0.803 692 A CB 0.785 19.893 19.000 0.180 0.000 1.208 692 A HN 0.577 nan 8.150 nan 0.000 0.477 693 A N 1.872 124.870 122.820 0.298 0.000 2.404 693 A HA 0.583 4.908 4.320 0.008 0.000 0.273 693 A C -0.816 177.003 177.584 0.392 0.000 1.144 693 A CA 0.015 52.252 52.037 0.332 0.000 0.806 693 A CB -0.536 18.589 19.000 0.208 0.000 1.080 693 A HN 0.568 nan 8.150 nan 0.000 0.509 694 F N 1.736 121.745 119.950 0.098 0.000 2.408 694 F HA 0.684 5.215 4.527 0.007 0.000 0.344 694 F C 0.718 176.581 175.800 0.104 0.000 1.112 694 F CA -0.166 57.883 58.000 0.082 0.000 1.096 694 F CB 1.623 40.623 39.000 0.001 0.000 1.129 694 F HN 0.657 nan 8.300 nan 0.000 0.486 695 R N 1.645 122.299 120.500 0.257 0.000 2.566 695 R HA 0.417 4.762 4.340 0.008 0.000 0.271 695 R C -1.855 174.590 176.300 0.242 0.000 1.071 695 R CA -0.596 55.643 56.100 0.232 0.000 0.915 695 R CB 1.647 32.079 30.300 0.221 0.000 1.228 695 R HN 0.563 nan 8.270 nan 0.000 0.449 696 D N 1.942 122.485 120.400 0.238 0.000 2.384 696 D HA 0.710 5.354 4.640 0.008 0.000 0.250 696 D C -1.240 175.221 176.300 0.269 0.000 1.029 696 D CA -0.168 54.013 54.000 0.300 0.000 0.990 696 D CB 1.592 42.584 40.800 0.321 0.000 1.175 696 D HN 0.323 nan 8.370 nan 0.000 0.532 697 L N -2.139 119.266 121.223 0.304 0.000 3.077 697 L HA 0.729 5.074 4.340 0.008 0.000 0.254 697 L C -1.690 175.319 176.870 0.231 0.000 0.959 697 L CA -1.036 53.946 54.840 0.236 0.000 1.030 697 L CB 0.460 42.648 42.059 0.215 0.000 1.679 697 L HN 0.364 nan 8.230 nan 0.000 0.468 698 A N 2.115 125.022 122.820 0.143 0.000 2.294 698 A HA 0.975 5.300 4.320 0.008 0.000 0.330 698 A C -0.654 176.993 177.584 0.105 0.000 1.133 698 A CA -0.699 51.377 52.037 0.065 0.000 0.836 698 A CB 1.777 20.781 19.000 0.007 0.000 1.190 698 A HN 1.059 nan 8.150 nan 0.000 0.492 699 V N 1.757 121.714 119.914 0.072 0.000 2.487 699 V HA 0.307 4.432 4.120 0.008 0.000 0.298 699 V C -0.324 175.804 176.094 0.057 0.000 1.028 699 V CA -0.590 61.769 62.300 0.098 0.000 0.860 699 V CB 1.561 33.464 31.823 0.132 0.000 0.991 699 V HN 0.619 nan 8.190 nan 0.000 0.427 700 V N 6.200 126.185 119.914 0.118 0.000 2.405 700 V HA 0.408 4.532 4.120 0.008 0.000 0.264 700 V C -0.002 176.229 176.094 0.227 0.000 1.048 700 V CA 0.016 62.410 62.300 0.156 0.000 0.966 700 V CB 1.109 33.037 31.823 0.176 0.000 1.015 700 V HN 0.623 nan 8.190 nan 0.000 0.477 701 V N 7.357 127.353 119.914 0.136 0.000 2.925 701 V HA 0.488 4.613 4.120 0.008 0.000 0.311 701 V C -2.422 173.609 176.094 -0.105 0.000 1.104 701 V CA -1.916 60.444 62.300 0.100 0.000 0.954 701 V CB 2.931 34.629 31.823 -0.208 0.000 1.022 701 V HN 0.634 nan 8.190 nan 0.000 0.427 702 P HA 0.125 nan 4.420 nan 0.000 0.271 702 P C 0.572 177.745 177.300 -0.212 0.000 1.216 702 P CA 0.125 62.892 63.100 -0.554 0.000 0.776 702 P CB 1.213 32.660 31.700 -0.422 0.000 0.881 703 A N 6.172 128.891 122.820 -0.169 0.000 1.997 703 A HA -0.165 4.160 4.320 0.008 0.000 0.221 703 A C -0.188 177.363 177.584 -0.054 0.000 1.172 703 A CA 1.881 53.868 52.037 -0.083 0.000 0.645 703 A CB -2.430 16.536 19.000 -0.056 0.000 0.813 703 A HN 0.533 nan 8.150 nan 0.000 0.454 704 P HA -0.059 nan 4.420 nan 0.000 0.215 704 P C 0.470 177.766 177.300 -0.006 0.000 1.157 704 P CA 1.052 64.138 63.100 -0.022 0.000 0.863 704 P CB -0.759 30.930 31.700 -0.020 0.000 0.787 705 T N 4.428 118.984 114.554 0.004 0.000 2.800 705 T HA 0.069 4.424 4.350 0.008 0.000 0.283 705 T C -2.038 172.659 174.700 -0.006 0.000 0.999 705 T CA -0.305 61.808 62.100 0.023 0.000 1.176 705 T CB -0.307 68.600 68.868 0.066 0.000 0.973 705 T HN 0.241 nan 8.240 nan 0.000 0.519 706 P HA 0.035 nan 4.420 nan 0.000 0.275 706 P C 0.453 177.770 177.300 0.028 0.000 1.227 706 P CA -0.558 62.564 63.100 0.036 0.000 0.781 706 P CB 0.748 32.472 31.700 0.040 0.000 0.906 707 Y N 4.137 124.431 120.300 -0.009 0.000 2.069 707 Y HA -0.284 4.271 4.550 0.009 0.000 0.278 707 Y C 2.476 178.388 175.900 0.020 0.000 1.175 707 Y CA 2.876 60.980 58.100 0.005 0.000 1.134 707 Y CB -1.257 37.221 38.460 0.030 0.000 0.965 707 Y HN 0.504 nan 8.280 nan 0.000 0.498 708 G N -0.232 108.582 108.800 0.023 0.000 2.574 708 G HA2 -0.422 3.543 3.960 0.008 0.000 0.220 708 G HA3 -0.422 3.543 3.960 0.008 0.000 0.220 708 G C 1.580 176.372 174.900 -0.181 0.000 1.173 708 G CA 1.222 46.280 45.100 -0.069 0.000 0.772 708 G HN 0.583 nan 8.290 nan 0.000 0.585 709 E N -0.264 119.863 120.200 -0.121 0.000 2.085 709 E HA -0.130 4.225 4.350 0.008 0.000 0.194 709 E C 2.722 179.218 176.600 -0.173 0.000 0.994 709 E CA 1.290 57.630 56.400 -0.100 0.000 0.801 709 E CB -0.068 29.614 29.700 -0.030 0.000 0.743 709 E HN 0.328 nan 8.360 nan 0.000 0.453 710 V N 1.343 121.081 119.914 -0.293 0.000 2.229 710 V HA -0.238 3.887 4.120 0.008 0.000 0.243 710 V C 2.509 178.379 176.094 -0.374 0.000 1.042 710 V CA 2.061 64.142 62.300 -0.365 0.000 1.000 710 V CB -0.741 30.858 31.823 -0.373 0.000 0.637 710 V HN 0.335 nan 8.190 nan 0.000 0.446 711 E N 0.499 120.383 120.200 -0.526 0.000 2.114 711 E HA -0.310 4.045 4.350 0.008 0.000 0.199 711 E C 2.211 178.598 176.600 -0.356 0.000 1.008 711 E CA 1.914 57.978 56.400 -0.561 0.000 0.810 711 E CB -0.206 29.127 29.700 -0.611 0.000 0.739 711 E HN 0.536 nan 8.360 nan 0.000 0.456 712 A N 1.204 123.872 122.820 -0.253 0.000 1.902 712 A HA -0.144 4.181 4.320 0.008 0.000 0.217 712 A C 2.363 179.861 177.584 -0.144 0.000 1.181 712 A CA 1.183 53.126 52.037 -0.158 0.000 0.623 712 A CB -0.648 18.287 19.000 -0.107 0.000 0.818 712 A HN 0.366 nan 8.150 nan 0.000 0.443 713 L N -0.287 120.850 121.223 -0.143 0.000 2.044 713 L HA -0.127 4.218 4.340 0.008 0.000 0.205 713 L C 2.500 179.296 176.870 -0.124 0.000 1.075 713 L CA 1.305 56.091 54.840 -0.089 0.000 0.747 713 L CB -0.266 41.780 42.059 -0.022 0.000 0.903 713 L HN 0.262 nan 8.230 nan 0.000 0.435 714 V N 0.237 120.015 119.914 -0.226 0.000 2.252 714 V HA -0.364 3.761 4.120 0.008 0.000 0.249 714 V C 2.653 178.620 176.094 -0.213 0.000 1.056 714 V CA 2.425 64.564 62.300 -0.268 0.000 1.022 714 V CB -0.877 30.592 31.823 -0.590 0.000 0.641 714 V HN 0.542 nan 8.190 nan 0.000 0.445 715 R N 0.086 120.441 120.500 -0.240 0.000 2.070 715 R HA -0.201 4.144 4.340 0.008 0.000 0.232 715 R C 2.456 178.687 176.300 -0.115 0.000 1.138 715 R CA 1.859 57.852 56.100 -0.178 0.000 0.936 715 R CB -0.567 29.632 30.300 -0.169 0.000 0.839 715 R HN 0.451 nan 8.270 nan 0.000 0.429 716 E N 0.298 120.438 120.200 -0.101 0.000 2.164 716 E HA -0.242 4.113 4.350 0.008 0.000 0.206 716 E C 1.354 177.924 176.600 -0.050 0.000 1.032 716 E CA 2.110 58.469 56.400 -0.069 0.000 0.832 716 E CB -0.145 29.520 29.700 -0.058 0.000 0.742 716 E HN 0.552 nan 8.360 nan 0.000 0.460 717 A N -0.479 122.315 122.820 -0.042 0.000 2.303 717 A HA 0.405 4.730 4.320 0.008 0.000 0.217 717 A C 2.068 179.660 177.584 0.013 0.000 1.205 717 A CA 0.826 52.854 52.037 -0.015 0.000 0.875 717 A CB 0.079 19.076 19.000 -0.004 0.000 0.910 717 A HN 0.238 nan 8.150 nan 0.000 0.501 718 A N -0.496 122.329 122.820 0.008 0.000 2.186 718 A HA 0.385 4.710 4.320 0.008 0.000 0.219 718 A C 1.527 179.218 177.584 0.179 0.000 1.159 718 A CA 1.524 53.619 52.037 0.097 0.000 0.680 718 A CB -1.002 17.987 19.000 -0.017 0.000 0.787 718 A HN 2.110 nan 8.150 nan 0.000 0.467 719 G N -1.737 107.097 108.800 0.058 0.000 2.663 719 G HA2 -0.025 3.940 3.960 0.008 0.000 0.686 719 G HA3 -0.025 3.940 3.960 0.008 0.000 0.686 719 G C -1.593 173.280 174.900 -0.045 0.000 1.288 719 G CA -0.226 44.887 45.100 0.022 0.000 0.836 719 G HN 0.240 nan 8.290 nan 0.000 0.584 720 P HA 0.138 nan 4.420 nan 0.000 0.249 720 P C 0.051 177.257 177.300 -0.157 0.000 1.241 720 P CA 0.874 63.832 63.100 -0.236 0.000 0.781 720 P CB 0.013 31.494 31.700 -0.365 0.000 1.088 721 Y N -0.684 119.656 120.300 0.066 0.000 2.660 721 Y HA 0.299 4.854 4.550 0.008 0.000 0.254 721 Y C 0.783 176.712 175.900 0.048 0.000 1.176 721 Y CA -1.805 56.349 58.100 0.090 0.000 1.195 721 Y CB -0.253 38.326 38.460 0.199 0.000 1.190 721 Y HN -0.121 nan 8.280 nan 0.000 0.535 722 L N 1.073 122.291 121.223 -0.008 0.000 2.360 722 L HA 0.198 4.543 4.340 0.008 0.000 0.276 722 L C 1.134 177.845 176.870 -0.265 0.000 1.121 722 L CA 0.573 55.169 54.840 -0.407 0.000 0.845 722 L CB 0.769 42.587 42.059 -0.401 0.000 1.143 722 L HN 0.289 nan 8.230 nan 0.000 0.452 723 E N 1.983 121.993 120.200 -0.316 0.000 2.057 723 E HA 0.095 4.450 4.350 0.008 0.000 0.191 723 E C 0.088 176.567 176.600 -0.202 0.000 0.959 723 E CA 0.350 56.632 56.400 -0.197 0.000 0.828 723 E CB 0.419 30.020 29.700 -0.165 0.000 0.800 723 E HN 0.774 nan 8.360 nan 0.000 0.460 724 S N -0.621 114.925 115.700 -0.255 0.000 2.801 724 S HA 0.656 5.131 4.470 0.008 0.000 0.312 724 S C -0.818 173.673 174.600 -0.182 0.000 1.112 724 S CA -0.732 57.358 58.200 -0.183 0.000 0.943 724 S CB 1.812 64.911 63.200 -0.168 0.000 1.269 724 S HN 0.318 nan 8.310 nan 0.000 0.558 725 L N 0.784 121.967 121.223 -0.068 0.000 4.000 725 L HA 0.461 4.806 4.340 0.008 0.000 0.243 725 L C -1.771 175.190 176.870 0.151 0.000 1.026 725 L CA -0.134 54.705 54.840 -0.001 0.000 1.377 725 L CB -0.189 41.800 42.059 -0.115 0.000 1.954 725 L HN 0.798 nan 8.230 nan 0.000 0.710 726 A N 3.681 126.673 122.820 0.287 0.000 2.386 726 A HA 0.745 5.069 4.320 0.008 0.000 0.311 726 A C -1.282 176.569 177.584 0.446 0.000 1.068 726 A CA -0.555 51.679 52.037 0.329 0.000 0.743 726 A CB 1.947 21.083 19.000 0.227 0.000 1.258 726 A HN 0.625 nan 8.150 nan 0.000 0.429 727 L N 3.808 125.230 121.223 0.331 0.000 2.363 727 L HA 0.453 4.798 4.340 0.008 0.000 0.286 727 L C 0.070 176.949 176.870 0.016 0.000 1.106 727 L CA 0.025 54.908 54.840 0.072 0.000 0.859 727 L CB -0.505 41.539 42.059 -0.026 0.000 1.223 727 L HN 0.674 nan 8.230 nan 0.000 0.446 728 F N 1.042 120.852 119.950 -0.232 0.000 2.695 728 F HA 0.530 5.061 4.527 0.007 0.000 0.303 728 F C -0.193 175.476 175.800 -0.218 0.000 1.091 728 F CA -0.900 56.959 58.000 -0.236 0.000 1.300 728 F CB -0.223 38.528 39.000 -0.415 0.000 1.071 728 F HN 0.478 nan 8.300 nan 0.000 0.578 729 D N 0.830 120.844 120.400 -0.643 0.000 2.633 729 D HA 0.305 4.949 4.640 0.008 0.000 0.198 729 D C -2.137 173.911 176.300 -0.420 0.000 1.273 729 D CA -0.364 53.327 54.000 -0.514 0.000 0.830 729 D CB 1.373 41.803 40.800 -0.616 0.000 1.771 729 D HN 0.120 nan 8.370 nan 0.000 0.547 730 L N 4.686 125.759 121.223 -0.249 0.000 2.296 730 L HA 0.786 5.131 4.340 0.008 0.000 0.286 730 L C -1.946 174.910 176.870 -0.025 0.000 1.023 730 L CA -0.562 54.178 54.840 -0.167 0.000 0.812 730 L CB 1.133 43.098 42.059 -0.156 0.000 1.223 730 L HN 0.484 nan 8.230 nan 0.000 0.421 731 Y N 4.107 124.307 120.300 -0.167 0.000 2.441 731 Y HA 0.557 5.109 4.550 0.004 0.000 0.334 731 Y C -1.471 174.384 175.900 -0.075 0.000 1.061 731 Y CA -0.688 57.343 58.100 -0.116 0.000 1.032 731 Y CB 1.614 40.001 38.460 -0.121 0.000 1.266 731 Y HN 0.742 nan 8.280 nan 0.000 0.441 732 Q N 4.799 124.209 119.800 -0.650 0.000 2.269 732 Q HA 0.833 5.178 4.340 0.008 0.000 0.263 732 Q C -0.797 174.825 176.000 -0.630 0.000 0.983 732 Q CA -0.612 54.879 55.803 -0.520 0.000 0.777 732 Q CB 2.401 31.001 28.738 -0.230 0.000 1.273 732 Q HN 1.042 nan 8.270 nan 0.000 0.440 733 G N 2.006 110.465 108.800 -0.569 0.000 2.368 733 G HA2 0.258 4.223 3.960 0.008 0.000 0.269 733 G HA3 0.258 4.223 3.960 0.008 0.000 0.269 733 G C -3.211 171.572 174.900 -0.196 0.000 1.291 733 G CA -0.558 44.333 45.100 -0.347 0.000 0.903 733 G HN 0.527 nan 8.290 nan 0.000 0.483 734 P HA 0.294 nan 4.420 nan 0.000 0.275 734 P C -2.136 175.234 177.300 0.118 0.000 1.227 734 P CA -0.872 62.241 63.100 0.021 0.000 0.781 734 P CB 1.267 32.985 31.700 0.029 0.000 0.906 735 P HA 0.236 nan 4.420 nan 0.000 0.244 735 P C -0.163 177.149 177.300 0.020 0.000 1.632 735 P CA 0.076 63.203 63.100 0.046 0.000 0.944 735 P CB 0.253 31.981 31.700 0.046 0.000 1.569 736 L N 2.319 123.544 121.223 0.002 0.000 2.325 736 L HA 0.339 4.684 4.340 0.008 0.000 0.279 736 L C -1.708 175.123 176.870 -0.065 0.000 1.054 736 L CA -2.529 52.296 54.840 -0.025 0.000 0.804 736 L CB 1.424 43.473 42.059 -0.017 0.000 1.200 736 L HN -0.153 nan 8.230 nan 0.000 0.436 737 P HA -0.049 nan 4.420 nan 0.000 0.248 737 P C -0.463 176.768 177.300 -0.114 0.000 1.254 737 P CA 0.013 62.984 63.100 -0.215 0.000 1.252 737 P CB -0.237 31.183 31.700 -0.465 0.000 1.465 738 E N 1.973 122.153 120.200 -0.032 0.000 3.492 738 E HA -0.062 4.293 4.350 0.008 0.000 0.314 738 E C 1.485 178.153 176.600 0.113 0.000 0.866 738 E CA 1.479 57.889 56.400 0.017 0.000 1.014 738 E CB -0.459 29.241 29.700 -0.000 0.000 1.033 738 E HN 0.706 nan 8.360 nan 0.000 0.505 739 G N 1.586 110.436 108.800 0.082 0.000 2.159 739 G HA2 -0.283 3.682 3.960 0.008 0.000 0.256 739 G HA3 -0.283 3.682 3.960 0.008 0.000 0.256 739 G C -0.293 174.662 174.900 0.091 0.000 0.977 739 G CA 0.542 45.693 45.100 0.084 0.000 0.652 739 G HN 0.627 nan 8.290 nan 0.000 0.531 740 H N 0.137 119.184 119.070 -0.040 0.000 2.710 740 H HA 0.771 5.332 4.556 0.007 0.000 0.361 740 H C 0.404 175.688 175.328 -0.074 0.000 1.175 740 H CA 0.098 56.129 56.048 -0.029 0.000 1.206 740 H CB 1.540 31.296 29.762 -0.010 0.000 1.750 740 H HN 0.534 nan 8.280 nan 0.000 0.553 741 K N -0.717 119.698 120.400 0.025 0.000 2.536 741 K HA 0.669 4.994 4.320 0.008 0.000 0.269 741 K C -1.347 175.238 176.600 -0.025 0.000 0.965 741 K CA -1.085 55.170 56.287 -0.053 0.000 0.860 741 K CB 2.065 34.515 32.500 -0.083 0.000 1.423 741 K HN 0.560 nan 8.250 nan 0.000 0.438 742 S N 1.451 117.128 115.700 -0.037 0.000 2.501 742 S HA 0.579 5.054 4.470 0.008 0.000 0.301 742 S C -0.398 174.124 174.600 -0.130 0.000 1.096 742 S CA -0.974 57.207 58.200 -0.032 0.000 1.063 742 S CB 0.693 63.916 63.200 0.037 0.000 1.042 742 S HN 0.548 nan 8.310 nan 0.000 0.494 743 L N 2.462 123.558 121.223 -0.212 0.000 2.318 743 L HA 0.578 4.923 4.340 0.008 0.000 0.277 743 L C 0.227 176.692 176.870 -0.676 0.000 1.008 743 L CA -0.878 53.676 54.840 -0.477 0.000 0.846 743 L CB 1.342 43.084 42.059 -0.529 0.000 1.220 743 L HN 0.942 nan 8.230 nan 0.000 0.423 744 A N 3.993 126.378 122.820 -0.724 0.000 2.410 744 A HA 0.511 4.836 4.320 0.008 0.000 0.292 744 A C -0.729 176.414 177.584 -0.734 0.000 1.232 744 A CA 0.112 51.638 52.037 -0.852 0.000 0.893 744 A CB -0.460 17.599 19.000 -1.568 0.000 1.131 744 A HN 0.453 nan 8.150 nan 0.000 0.530 745 F N 0.945 120.965 119.950 0.116 0.000 2.436 745 F HA 0.294 4.828 4.527 0.011 0.000 0.340 745 F C 0.717 176.810 175.800 0.489 0.000 1.113 745 F CA -0.228 57.946 58.000 0.290 0.000 1.022 745 F CB 1.414 40.506 39.000 0.153 0.000 1.128 745 F HN 0.602 nan 8.300 nan 0.000 0.466 746 H N 4.169 123.560 119.070 0.535 0.000 2.741 746 H HA 0.412 4.973 4.556 0.008 0.000 0.282 746 H C -0.793 174.578 175.328 0.071 0.000 1.122 746 H CA -0.781 55.343 56.048 0.126 0.000 1.293 746 H CB 0.696 30.392 29.762 -0.110 0.000 1.415 746 H HN 0.336 nan 8.280 nan 0.000 0.472 747 L N 3.805 125.135 121.223 0.179 0.000 2.375 747 L HA 0.509 4.853 4.340 0.008 0.000 0.268 747 L C 0.022 176.805 176.870 -0.144 0.000 1.058 747 L CA -0.330 54.514 54.840 0.006 0.000 0.803 747 L CB 1.288 43.420 42.059 0.122 0.000 1.212 747 L HN 0.561 nan 8.230 nan 0.000 0.451 748 R N 1.186 121.485 120.500 -0.335 0.000 2.535 748 R HA 0.580 4.925 4.340 0.008 0.000 0.274 748 R C -1.673 174.392 176.300 -0.390 0.000 1.090 748 R CA -0.534 55.336 56.100 -0.382 0.000 0.930 748 R CB 1.674 31.612 30.300 -0.602 0.000 1.223 748 R HN 0.258 nan 8.270 nan 0.000 0.441 749 F N 0.888 120.785 119.950 -0.088 0.000 2.575 749 F HA 0.698 5.229 4.527 0.008 0.000 0.330 749 F C 0.306 176.105 175.800 -0.001 0.000 1.056 749 F CA -0.839 57.158 58.000 -0.006 0.000 0.964 749 F CB 2.023 41.052 39.000 0.048 0.000 1.258 749 F HN 0.249 nan 8.300 nan 0.000 0.484 750 R N 0.297 120.909 120.500 0.187 0.000 2.664 750 R HA 0.241 4.586 4.340 0.008 0.000 0.260 750 R C -2.277 174.009 176.300 -0.023 0.000 1.062 750 R CA -0.710 55.439 56.100 0.082 0.000 0.902 750 R CB 1.549 31.879 30.300 0.050 0.000 1.258 750 R HN 0.797 nan 8.270 nan 0.000 0.465 751 H N 4.837 123.796 119.070 -0.185 0.000 2.547 751 H HA 0.304 4.864 4.556 0.008 0.000 0.342 751 H C -2.005 173.195 175.328 -0.213 0.000 1.048 751 H CA -2.194 53.647 56.048 -0.345 0.000 1.204 751 H CB 2.343 31.788 29.762 -0.530 0.000 1.493 751 H HN 0.400 nan 8.280 nan 0.000 0.511 752 P HA -0.214 nan 4.420 nan 0.000 0.213 752 P C 1.401 178.740 177.300 0.065 0.000 1.170 752 P CA 1.423 64.512 63.100 -0.018 0.000 0.902 752 P CB 0.812 32.461 31.700 -0.086 0.000 0.789 753 K N 0.025 120.527 120.400 0.171 0.000 2.001 753 K HA -0.125 4.200 4.320 0.008 0.000 0.208 753 K C 1.132 177.471 176.600 -0.434 0.000 1.048 753 K CA 1.133 57.425 56.287 0.008 0.000 0.932 753 K CB 0.142 32.692 32.500 0.084 0.000 0.715 753 K HN 0.147 nan 8.250 nan 0.000 0.437 754 R N -1.205 118.927 120.500 -0.615 0.000 2.947 754 R HA 0.374 4.719 4.340 0.008 0.000 0.253 754 R C -0.756 175.153 176.300 -0.652 0.000 1.208 754 R CA -0.844 54.712 56.100 -0.907 0.000 1.012 754 R CB -0.061 29.961 30.300 -0.463 0.000 1.267 754 R HN -0.230 nan 8.270 nan 0.000 0.473 755 T N 0.773 115.143 114.554 -0.306 0.000 2.828 755 T HA 0.362 4.717 4.350 0.008 0.000 0.290 755 T C 0.071 174.675 174.700 -0.160 0.000 1.019 755 T CA -0.469 61.570 62.100 -0.102 0.000 1.031 755 T CB 0.310 69.195 68.868 0.027 0.000 1.001 755 T HN 0.220 nan 8.240 nan 0.000 0.531 756 L N 2.242 123.416 121.223 -0.082 0.000 2.292 756 L HA 0.411 4.756 4.340 0.008 0.000 0.284 756 L C 0.850 177.688 176.870 -0.054 0.000 1.065 756 L CA -0.973 53.816 54.840 -0.086 0.000 0.806 756 L CB 0.769 42.806 42.059 -0.037 0.000 1.175 756 L HN 0.351 nan 8.230 nan 0.000 0.431 757 R N 1.992 122.456 120.500 -0.060 0.000 2.438 757 R HA 0.025 4.370 4.340 0.008 0.000 0.287 757 R C 0.608 176.887 176.300 -0.035 0.000 1.077 757 R CA -0.171 55.904 56.100 -0.041 0.000 1.034 757 R CB 0.737 31.015 30.300 -0.038 0.000 0.993 757 R HN 0.587 nan 8.270 nan 0.000 0.459 758 D N 2.266 122.649 120.400 -0.029 0.000 2.311 758 D HA -0.156 4.489 4.640 0.008 0.000 0.212 758 D C 0.892 177.168 176.300 -0.040 0.000 0.972 758 D CA 1.281 55.262 54.000 -0.032 0.000 0.887 758 D CB 0.490 41.279 40.800 -0.019 0.000 0.915 758 D HN 0.460 nan 8.370 nan 0.000 0.497 759 E N 0.893 121.075 120.200 -0.030 0.000 2.107 759 E HA -0.100 4.255 4.350 0.008 0.000 0.191 759 E C 1.936 178.519 176.600 -0.029 0.000 0.982 759 E CA 0.669 57.054 56.400 -0.024 0.000 0.809 759 E CB -0.123 29.569 29.700 -0.014 0.000 0.756 759 E HN 0.402 nan 8.360 nan 0.000 0.459 760 E N -0.061 120.124 120.200 -0.025 0.000 2.107 760 E HA -0.094 4.261 4.350 0.008 0.000 0.191 760 E C 2.006 178.550 176.600 -0.093 0.000 0.982 760 E CA 1.019 57.415 56.400 -0.007 0.000 0.809 760 E CB 0.116 29.850 29.700 0.058 0.000 0.756 760 E HN 0.059 nan 8.360 nan 0.000 0.459 761 V N 1.661 121.476 119.914 -0.164 0.000 2.270 761 V HA -0.207 3.917 4.120 0.008 0.000 0.245 761 V C 2.164 178.093 176.094 -0.275 0.000 1.043 761 V CA 1.531 63.614 62.300 -0.362 0.000 1.014 761 V CB -0.481 31.165 31.823 -0.296 0.000 0.645 761 V HN 0.142 nan 8.190 nan 0.000 0.447 762 E N 0.322 120.438 120.200 -0.140 0.000 2.070 762 E HA -0.283 4.072 4.350 0.008 0.000 0.197 762 E C 2.192 178.748 176.600 -0.072 0.000 1.004 762 E CA 1.846 58.196 56.400 -0.083 0.000 0.805 762 E CB -0.388 29.286 29.700 -0.044 0.000 0.744 762 E HN 0.769 nan 8.360 nan 0.000 0.451 763 E N 0.395 120.555 120.200 -0.065 0.000 2.058 763 E HA -0.218 4.137 4.350 0.008 0.000 0.194 763 E C 2.007 178.580 176.600 -0.046 0.000 0.997 763 E CA 1.236 57.612 56.400 -0.040 0.000 0.801 763 E CB -0.081 29.605 29.700 -0.024 0.000 0.746 763 E HN 0.177 nan 8.360 nan 0.000 0.450 764 A N 1.107 123.869 122.820 -0.097 0.000 1.869 764 A HA -0.244 4.081 4.320 0.008 0.000 0.218 764 A C 2.530 180.107 177.584 -0.012 0.000 1.203 764 A CA 2.690 54.680 52.037 -0.078 0.000 0.638 764 A CB -1.429 17.380 19.000 -0.319 0.000 0.831 764 A HN 0.412 nan 8.150 nan 0.000 0.450 765 V N -2.300 117.580 119.914 -0.057 0.000 2.490 765 V HA -0.187 3.938 4.120 0.008 0.000 0.250 765 V C 2.141 178.256 176.094 0.036 0.000 1.061 765 V CA 2.740 65.059 62.300 0.033 0.000 1.064 765 V CB -1.168 30.669 31.823 0.023 0.000 0.670 765 V HN 0.401 nan 8.190 nan 0.000 0.461 766 S N 0.845 116.551 115.700 0.010 0.000 2.355 766 S HA -0.091 4.384 4.470 0.008 0.000 0.222 766 S C 2.029 176.642 174.600 0.022 0.000 1.031 766 S CA 1.523 59.733 58.200 0.016 0.000 0.993 766 S CB -0.439 62.763 63.200 0.003 0.000 0.859 766 S HN 0.597 nan 8.310 nan 0.000 0.453 767 R N 1.094 121.605 120.500 0.018 0.000 2.159 767 R HA 0.011 4.356 4.340 0.008 0.000 0.237 767 R C 2.063 178.381 176.300 0.030 0.000 1.131 767 R CA 0.655 56.767 56.100 0.020 0.000 0.982 767 R CB -1.416 28.894 30.300 0.017 0.000 0.868 767 R HN 0.371 nan 8.270 nan 0.000 0.453 768 V N 0.992 120.932 119.914 0.044 0.000 2.331 768 V HA -0.068 4.057 4.120 0.008 0.000 0.242 768 V C 2.508 178.636 176.094 0.057 0.000 1.034 768 V CA 1.535 63.865 62.300 0.050 0.000 1.027 768 V CB -0.852 31.012 31.823 0.068 0.000 0.667 768 V HN 0.285 nan 8.190 nan 0.000 0.457 769 A N 0.038 122.894 122.820 0.061 0.000 1.986 769 A HA -0.291 4.034 4.320 0.008 0.000 0.220 769 A C 2.042 179.659 177.584 0.056 0.000 1.171 769 A CA 2.245 54.322 52.037 0.066 0.000 0.640 769 A CB -0.488 18.547 19.000 0.058 0.000 0.811 769 A HN 0.638 nan 8.150 nan 0.000 0.451 770 E N 0.316 120.540 120.200 0.041 0.000 2.002 770 E HA -0.141 4.214 4.350 0.008 0.000 0.213 770 E C 2.053 178.672 176.600 0.031 0.000 1.024 770 E CA 2.060 58.478 56.400 0.029 0.000 0.876 770 E CB -0.628 29.084 29.700 0.020 0.000 0.799 770 E HN 0.431 nan 8.360 nan 0.000 0.497 771 A N -0.016 122.823 122.820 0.032 0.000 2.019 771 A HA -0.109 4.216 4.320 0.008 0.000 0.219 771 A C 2.200 179.827 177.584 0.072 0.000 1.164 771 A CA 1.401 53.459 52.037 0.035 0.000 0.644 771 A CB -0.770 18.247 19.000 0.029 0.000 0.805 771 A HN 0.429 nan 8.150 nan 0.000 0.449 772 L N -0.185 121.098 121.223 0.100 0.000 2.079 772 L HA -0.160 4.185 4.340 0.008 0.000 0.210 772 L C 2.369 179.351 176.870 0.187 0.000 1.081 772 L CA 1.986 56.939 54.840 0.187 0.000 0.752 772 L CB -0.425 41.726 42.059 0.153 0.000 0.896 772 L HN 0.377 nan 8.230 nan 0.000 0.433 773 R N -1.334 119.219 120.500 0.088 0.000 2.140 773 R HA 0.169 4.514 4.340 0.008 0.000 0.213 773 R C 2.155 178.432 176.300 -0.038 0.000 1.059 773 R CA 0.772 56.892 56.100 0.032 0.000 1.000 773 R CB -0.445 29.875 30.300 0.034 0.000 0.910 773 R HN 0.405 nan 8.270 nan 0.000 0.455 774 A N 1.133 123.940 122.820 -0.022 0.000 2.131 774 A HA -0.133 4.192 4.320 0.008 0.000 0.220 774 A C 1.865 179.389 177.584 -0.099 0.000 1.158 774 A CA 1.235 53.245 52.037 -0.045 0.000 0.665 774 A CB -0.185 18.803 19.000 -0.020 0.000 0.795 774 A HN 0.033 nan 8.150 nan 0.000 0.460 775 R N -1.749 118.658 120.500 -0.155 0.000 2.312 775 R HA 0.165 4.510 4.340 0.008 0.000 0.205 775 R C 1.078 176.968 176.300 -0.684 0.000 0.904 775 R CA 0.762 56.661 56.100 -0.336 0.000 1.052 775 R CB -0.219 29.942 30.300 -0.232 0.000 1.014 775 R HN 0.862 nan 8.270 nan 0.000 0.503 776 G N 0.863 109.361 108.800 -0.503 0.000 2.141 776 G HA2 -0.215 3.750 3.960 0.008 0.000 0.195 776 G HA3 -0.215 3.750 3.960 0.008 0.000 0.195 776 G C -0.465 174.166 174.900 -0.449 0.000 1.012 776 G CA -0.419 44.415 45.100 -0.442 0.000 0.696 776 G HN 0.119 nan 8.290 nan 0.000 0.508 777 F N 0.551 120.524 119.950 0.037 0.000 2.495 777 F HA 0.748 5.280 4.527 0.009 0.000 0.327 777 F C 1.035 176.869 175.800 0.057 0.000 1.103 777 F CA -0.684 57.346 58.000 0.051 0.000 0.949 777 F CB 1.509 40.533 39.000 0.040 0.000 1.142 777 F HN 0.210 nan 8.300 nan 0.000 0.457 778 G N 0.836 109.796 108.800 0.266 0.000 2.508 778 G HA2 0.487 4.452 3.960 0.008 0.000 0.278 778 G HA3 0.487 4.452 3.960 0.008 0.000 0.278 778 G C -1.493 173.498 174.900 0.152 0.000 1.389 778 G CA -0.399 44.800 45.100 0.165 0.000 1.050 778 G HN 0.556 nan 8.290 nan 0.000 0.522 779 L N -0.406 120.885 121.223 0.114 0.000 2.448 779 L HA 0.398 4.742 4.340 0.008 0.000 0.257 779 L C 1.670 178.593 176.870 0.088 0.000 1.504 779 L CA -0.407 54.496 54.840 0.105 0.000 0.852 779 L CB 0.681 42.798 42.059 0.098 0.000 1.051 779 L HN 0.696 nan 8.230 nan 0.000 0.518 780 R N 0.927 121.478 120.500 0.085 0.000 2.154 780 R HA -0.062 4.283 4.340 0.008 0.000 0.248 780 R C 0.463 176.805 176.300 0.069 0.000 1.155 780 R CA 1.390 57.533 56.100 0.072 0.000 0.979 780 R CB 0.233 30.576 30.300 0.070 0.000 0.869 780 R HN 0.657 nan 8.270 nan 0.000 0.452 781 G N -0.100 108.749 108.800 0.082 0.000 2.682 781 G HA2 0.507 4.472 3.960 0.008 0.000 0.300 781 G HA3 0.507 4.472 3.960 0.008 0.000 0.300 781 G C -2.135 172.825 174.900 0.101 0.000 1.391 781 G CA -0.641 44.512 45.100 0.088 0.000 0.990 781 G HN 0.105 nan 8.290 nan 0.000 0.501 782 L N 1.026 122.304 121.223 0.091 0.000 2.445 782 L HA 0.745 5.089 4.340 0.008 0.000 0.262 782 L C 0.271 177.191 176.870 0.084 0.000 0.974 782 L CA -0.137 54.757 54.840 0.090 0.000 0.822 782 L CB 2.110 44.212 42.059 0.071 0.000 1.339 782 L HN 0.779 nan 8.230 nan 0.000 0.409 783 D N 1.434 121.886 120.400 0.087 0.000 2.955 783 D HA -0.200 4.445 4.640 0.008 0.000 0.226 783 D C -0.314 176.038 176.300 0.087 0.000 1.178 783 D CA 1.584 55.629 54.000 0.075 0.000 0.808 783 D CB -0.650 40.180 40.800 0.050 0.000 1.099 783 D HN 0.827 nan 8.370 nan 0.000 0.421 784 T N 1.898 116.518 114.554 0.110 0.000 2.933 784 T HA 0.204 4.558 4.350 0.008 0.000 0.306 784 T C -1.665 173.106 174.700 0.118 0.000 1.045 784 T CA -0.303 61.867 62.100 0.117 0.000 1.143 784 T CB 0.982 69.941 68.868 0.152 0.000 1.003 784 T HN 0.218 nan 8.240 nan 0.000 0.540 785 P HA 0.000 nan 4.420 nan 0.000 0.216 785 P CA 0.000 63.150 63.100 0.083 0.000 0.800 785 P CB 0.000 31.733 31.700 0.055 0.000 0.726