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 2q5d_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELITILEKT VSPDRLELEA AQKFLERAAV ENLPTFLVEL SRVLANPGNS DATA SEQUENCE QVARVAAGLQ IKNSLTSKDP DIKAQYQQRW LAIDANARRE VKNYVLQTLG DATA SEQUENCE TETYRPSSAS QCVAGIACAE IPVNQWPELI PQLVANVTNP NSTEHMKEST DATA SEQUENCE LEAIGYICQD IDPEQLQDKS NEILTAIIQG MRKEEPSNNV KLAATNALLN DATA SEQUENCE SLEFTKANFD KESERHFIMQ VVCEATQCPD TRVRVAALQN LVKIMSLYYQ DATA SEQUENCE YMETYMGPAL FAITIEAMKS DIDEVALQGI EFWSNVCDEE MDLAIEASEA DATA SEQUENCE AEQGRPPEHT SKFYAKGALQ YLVPILTQTL TKQDENDDDD DWNPCKAAGV DATA SEQUENCE CLMLLATCCE DDIVPHVLPF IKEHIKNPDW RYRDAAVMAF GCILEGPEPS DATA SEQUENCE QLKPLVIQAM PTLIELMKDP SVVVRDTAAW TVGRICELLP EAAINDVYLA DATA SEQUENCE PLLQCLIEGL SAEPRVASNV CWAFSSLAEA AYEAADVADD QEEPATYCLS DATA SEQUENCE SSFELIVQKL LETTDRPDGH QNNLRSSAYE SLMEIVKNSA KDCYPAVQKT DATA SEQUENCE TLVIMERLQQ VLQMESHIQS TSDRIQFNDL QSLLCATLQN VLRKVQHQDA DATA SEQUENCE LQISDVVMAS LLRMFQSTAG SGGVQEDALM AVSTLVEVLG GEFLKYMEAF DATA SEQUENCE KPFLGIGLKN YAEYQVCLAA VGLVGDLCRA LQSNIIPFCD EVMQLLLENL DATA SEQUENCE GNENVHRSVK PQILSVFGDI ALAIGGEFKK YLEVVLNTLQ QASQAQVXXX DATA SEQUENCE XXDMVDYLNE LRESCLEAYT GIVQGLKGDQ ENVHPDVMLV QPRVEFILSF DATA SEQUENCE IDHIAGDEDH TDGVVACAAG LIGDLCTAFG KDVLKLVEAR PMIHELLTEG DATA SEQUENCE RRSKTNKAKT LATWATKELR KLKNQA 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 0.000 176.222 176.300 -0.130 0.000 1.140 1 M CA 0.000 55.170 55.300 -0.217 0.000 0.988 1 M CB 0.000 32.478 32.600 -0.202 0.000 1.302 2 E N 1.691 121.845 120.200 -0.077 0.000 2.360 2 E HA 0.138 4.500 4.350 0.019 0.000 0.269 2 E C 0.540 177.136 176.600 -0.006 0.000 1.022 2 E CA -0.057 56.333 56.400 -0.017 0.000 0.887 2 E CB 0.610 30.295 29.700 -0.024 0.000 0.990 2 E HN 0.564 nan 8.360 nan 0.000 0.426 3 L N 5.141 126.404 121.223 0.066 0.000 2.197 3 L HA -0.225 4.127 4.340 0.019 0.000 0.215 3 L C 1.467 178.349 176.870 0.021 0.000 1.095 3 L CA 1.423 56.321 54.840 0.096 0.000 0.764 3 L CB -0.664 41.440 42.059 0.074 0.000 0.897 3 L HN 0.738 nan 8.230 nan 0.000 0.436 4 I N -0.686 119.877 120.570 -0.012 0.000 2.286 4 I HA -0.200 3.981 4.170 0.019 0.000 0.245 4 I C 2.368 178.463 176.117 -0.037 0.000 1.104 4 I CA 1.295 62.577 61.300 -0.030 0.000 1.397 4 I CB -1.581 36.398 38.000 -0.034 0.000 1.072 4 I HN 0.235 nan 8.210 nan 0.000 0.417 5 T N 2.264 116.788 114.554 -0.049 0.000 2.904 5 T HA -0.018 4.344 4.350 0.019 0.000 0.267 5 T C 1.948 176.604 174.700 -0.073 0.000 1.059 5 T CA 1.057 63.119 62.100 -0.064 0.000 1.137 5 T CB -0.301 68.519 68.868 -0.079 0.000 0.879 5 T HN 0.480 nan 8.240 nan 0.000 0.467 6 I N -0.731 119.789 120.570 -0.083 0.000 2.676 6 I HA 0.046 4.228 4.170 0.019 0.000 0.259 6 I C 1.955 178.072 176.117 -0.000 0.000 1.194 6 I CA 1.246 62.500 61.300 -0.077 0.000 1.473 6 I CB -0.606 37.336 38.000 -0.097 0.000 1.096 6 I HN 0.151 nan 8.210 nan 0.000 0.443 7 L N 0.958 122.182 121.223 0.002 0.000 2.209 7 L HA 0.032 4.384 4.340 0.019 0.000 0.207 7 L C 2.387 179.246 176.870 -0.019 0.000 1.094 7 L CA 0.863 55.704 54.840 0.002 0.000 0.790 7 L CB -0.386 41.664 42.059 -0.014 0.000 0.932 7 L HN 0.198 nan 8.230 nan 0.000 0.447 8 E N 0.122 120.303 120.200 -0.031 0.000 2.478 8 E HA -0.115 4.246 4.350 0.019 0.000 0.198 8 E C 1.318 177.900 176.600 -0.031 0.000 1.046 8 E CA 0.422 56.800 56.400 -0.037 0.000 0.870 8 E CB 0.244 29.920 29.700 -0.040 0.000 0.818 8 E HN 0.284 nan 8.360 nan 0.000 0.527 9 K N -0.137 120.247 120.400 -0.026 0.000 2.353 9 K HA 0.039 4.370 4.320 0.019 0.000 0.195 9 K C 1.882 178.478 176.600 -0.007 0.000 1.031 9 K CA 0.650 56.925 56.287 -0.021 0.000 1.079 9 K CB 0.424 32.904 32.500 -0.032 0.000 0.857 9 K HN 0.149 nan 8.250 nan 0.000 0.535 10 T N -1.370 113.185 114.554 0.002 0.000 3.035 10 T HA -0.014 4.347 4.350 0.019 0.000 0.268 10 T C 1.477 176.180 174.700 0.005 0.000 1.109 10 T CA 0.504 62.612 62.100 0.014 0.000 1.119 10 T CB -0.178 68.706 68.868 0.026 0.000 0.900 10 T HN -0.128 nan 8.240 nan 0.000 0.503 11 V N 1.258 121.167 119.914 -0.007 0.000 3.099 11 V HA 0.338 4.469 4.120 0.019 0.000 0.356 11 V C 0.732 176.819 176.094 -0.011 0.000 1.364 11 V CA -0.464 61.829 62.300 -0.011 0.000 1.229 11 V CB -0.310 31.498 31.823 -0.025 0.000 1.227 11 V HN 0.422 nan 8.190 nan 0.000 0.493 12 S N 2.497 118.192 115.700 -0.008 0.000 2.438 12 S HA 0.360 4.841 4.470 0.019 0.000 0.293 12 S C -0.564 174.034 174.600 -0.004 0.000 1.141 12 S CA -1.268 56.927 58.200 -0.008 0.000 1.080 12 S CB 1.435 64.629 63.200 -0.011 0.000 0.978 12 S HN 0.328 nan 8.310 nan 0.000 0.479 13 P HA -0.133 nan 4.420 nan 0.000 0.221 13 P C 0.152 177.452 177.300 0.000 0.000 1.145 13 P CA 0.592 63.691 63.100 -0.000 0.000 0.795 13 P CB -0.115 31.585 31.700 -0.001 0.000 0.775 14 D N 0.606 121.005 120.400 -0.002 0.000 2.346 14 D HA -0.041 4.611 4.640 0.019 0.000 0.267 14 D C 1.453 177.753 176.300 0.001 0.000 1.320 14 D CA -0.041 53.958 54.000 -0.001 0.000 0.951 14 D CB 0.511 41.309 40.800 -0.004 0.000 1.079 14 D HN -0.186 nan 8.370 nan 0.000 0.509 15 R N 3.538 124.039 120.500 0.003 0.000 2.159 15 R HA -0.251 4.100 4.340 0.019 0.000 0.249 15 R C 2.076 178.379 176.300 0.006 0.000 1.136 15 R CA 1.795 57.898 56.100 0.005 0.000 0.951 15 R CB -0.690 29.613 30.300 0.006 0.000 0.876 15 R HN 0.530 nan 8.270 nan 0.000 0.440 16 L N 0.559 121.784 121.223 0.004 0.000 2.017 16 L HA -0.110 4.242 4.340 0.019 0.000 0.208 16 L C 2.176 179.049 176.870 0.005 0.000 1.073 16 L CA 2.516 57.359 54.840 0.005 0.000 0.745 16 L CB -0.879 41.181 42.059 0.003 0.000 0.894 16 L HN 0.412 nan 8.230 nan 0.000 0.432 17 E N -0.113 120.087 120.200 0.001 0.000 2.077 17 E HA -0.267 4.095 4.350 0.019 0.000 0.193 17 E C 2.203 178.805 176.600 0.002 0.000 0.989 17 E CA 2.042 58.440 56.400 -0.003 0.000 0.800 17 E CB -0.707 28.988 29.700 -0.009 0.000 0.746 17 E HN 0.594 nan 8.360 nan 0.000 0.452 18 L N 0.402 121.629 121.223 0.006 0.000 2.017 18 L HA -0.164 4.188 4.340 0.019 0.000 0.208 18 L C 2.126 179.010 176.870 0.023 0.000 1.073 18 L CA 1.858 56.706 54.840 0.013 0.000 0.745 18 L CB -0.375 41.691 42.059 0.011 0.000 0.894 18 L HN 0.109 nan 8.230 nan 0.000 0.432 19 E N 0.536 120.749 120.200 0.022 0.000 2.118 19 E HA -0.258 4.104 4.350 0.019 0.000 0.195 19 E C 2.211 178.834 176.600 0.039 0.000 0.992 19 E CA 1.266 57.683 56.400 0.028 0.000 0.804 19 E CB -0.374 29.338 29.700 0.021 0.000 0.741 19 E HN 0.727 nan 8.360 nan 0.000 0.458 20 A N 1.887 124.727 122.820 0.034 0.000 1.873 20 A HA -0.180 4.152 4.320 0.019 0.000 0.218 20 A C 2.482 180.115 177.584 0.081 0.000 1.193 20 A CA 2.419 54.482 52.037 0.044 0.000 0.629 20 A CB -0.723 18.286 19.000 0.014 0.000 0.826 20 A HN 0.302 nan 8.150 nan 0.000 0.447 21 A N -1.887 120.972 122.820 0.065 0.000 1.930 21 A HA -0.133 4.199 4.320 0.019 0.000 0.217 21 A C 2.059 179.732 177.584 0.147 0.000 1.175 21 A CA 1.519 53.620 52.037 0.106 0.000 0.627 21 A CB -0.412 18.622 19.000 0.056 0.000 0.815 21 A HN 0.471 nan 8.150 nan 0.000 0.443 22 Q N -0.530 119.326 119.800 0.093 0.000 2.437 22 Q HA -0.041 4.311 4.340 0.019 0.000 0.210 22 Q C 1.168 177.207 176.000 0.066 0.000 0.972 22 Q CA 0.834 56.684 55.803 0.078 0.000 0.903 22 Q CB 0.062 28.831 28.738 0.052 0.000 0.967 22 Q HN 0.516 nan 8.270 nan 0.000 0.486 23 K N -1.185 119.264 120.400 0.081 0.000 2.348 23 K HA 0.065 4.396 4.320 0.019 0.000 0.194 23 K C 1.605 178.237 176.600 0.054 0.000 1.052 23 K CA -0.020 56.296 56.287 0.048 0.000 1.004 23 K CB 0.024 32.551 32.500 0.045 0.000 0.873 23 K HN 0.123 nan 8.250 nan 0.000 0.523 24 F N 1.839 121.779 119.950 -0.017 0.000 2.149 24 F HA -0.018 4.520 4.527 0.019 0.000 0.294 24 F C 1.786 177.563 175.800 -0.038 0.000 1.095 24 F CA 1.082 59.070 58.000 -0.021 0.000 1.276 24 F CB -0.068 38.933 39.000 0.003 0.000 1.023 24 F HN -0.183 nan 8.300 nan 0.000 0.480 25 L N 0.154 121.443 121.223 0.111 0.000 2.109 25 L HA -0.150 4.201 4.340 0.019 0.000 0.207 25 L C 2.466 179.190 176.870 -0.243 0.000 1.086 25 L CA 1.580 56.444 54.840 0.041 0.000 0.760 25 L CB -0.818 41.428 42.059 0.311 0.000 0.910 25 L HN 0.278 nan 8.230 nan 0.000 0.437 26 E N 1.235 121.355 120.200 -0.134 0.000 2.051 26 E HA -0.275 4.087 4.350 0.019 0.000 0.192 26 E C 2.261 178.698 176.600 -0.272 0.000 0.991 26 E CA 1.713 58.015 56.400 -0.164 0.000 0.799 26 E CB 0.101 29.758 29.700 -0.070 0.000 0.748 26 E HN 0.493 nan 8.360 nan 0.000 0.449 27 R N 0.068 120.404 120.500 -0.273 0.000 2.193 27 R HA 0.115 4.466 4.340 0.019 0.000 0.213 27 R C 2.132 178.180 176.300 -0.421 0.000 1.055 27 R CA 1.071 57.001 56.100 -0.284 0.000 0.995 27 R CB -0.340 29.834 30.300 -0.211 0.000 0.893 27 R HN 0.087 nan 8.270 nan 0.000 0.459 28 A N 1.443 123.885 122.820 -0.629 0.000 1.969 28 A HA 0.070 4.402 4.320 0.019 0.000 0.218 28 A C 2.370 179.446 177.584 -0.846 0.000 1.169 28 A CA 1.344 52.933 52.037 -0.747 0.000 0.635 28 A CB -0.618 17.852 19.000 -0.884 0.000 0.810 28 A HN 0.519 nan 8.150 nan 0.000 0.445 29 A N -0.950 121.259 122.820 -1.019 0.000 2.208 29 A HA 0.313 4.645 4.320 0.019 0.000 0.209 29 A C 1.885 179.261 177.584 -0.348 0.000 1.161 29 A CA 1.155 52.738 52.037 -0.757 0.000 0.782 29 A CB -0.270 18.352 19.000 -0.630 0.000 0.816 29 A HN 0.293 nan 8.150 nan 0.000 0.477 30 V N -0.564 119.166 119.914 -0.307 0.000 2.436 30 V HA -0.125 4.007 4.120 0.019 0.000 0.240 30 V C 2.238 178.238 176.094 -0.157 0.000 1.040 30 V CA 1.618 63.806 62.300 -0.186 0.000 1.052 30 V CB -0.663 31.066 31.823 -0.157 0.000 0.707 30 V HN 0.572 nan 8.190 nan 0.000 0.469 31 E N 0.712 120.802 120.200 -0.182 0.000 2.038 31 E HA -0.191 4.170 4.350 0.019 0.000 0.195 31 E C 1.078 177.612 176.600 -0.110 0.000 1.000 31 E CA 1.457 57.775 56.400 -0.137 0.000 0.803 31 E CB -0.010 29.599 29.700 -0.150 0.000 0.750 31 E HN 0.574 nan 8.360 nan 0.000 0.448 32 N N -0.213 118.412 118.700 -0.125 0.000 2.710 32 N HA 0.053 4.805 4.740 0.019 0.000 0.244 32 N C 0.004 175.494 175.510 -0.033 0.000 1.321 32 N CA -0.206 52.804 53.050 -0.068 0.000 0.758 32 N CB 0.653 39.114 38.487 -0.043 0.000 1.284 32 N HN -0.057 nan 8.380 nan 0.000 0.530 33 L N 4.451 125.655 121.223 -0.032 0.000 2.046 33 L HA 0.127 4.478 4.340 0.019 0.000 0.208 33 L C -1.085 175.849 176.870 0.107 0.000 1.077 33 L CA 1.947 56.815 54.840 0.046 0.000 0.747 33 L CB -0.561 41.510 42.059 0.020 0.000 0.896 33 L HN 0.431 nan 8.230 nan 0.000 0.432 34 P HA -0.142 nan 4.420 nan 0.000 0.215 34 P C 1.569 178.896 177.300 0.046 0.000 1.157 34 P CA 2.100 65.204 63.100 0.007 0.000 0.874 34 P CB -0.140 31.534 31.700 -0.042 0.000 0.790 35 T N -1.098 113.489 114.554 0.056 0.000 2.746 35 T HA -0.160 4.201 4.350 0.019 0.000 0.267 35 T C 1.467 176.239 174.700 0.120 0.000 1.039 35 T CA 0.975 63.116 62.100 0.068 0.000 1.142 35 T CB -1.034 67.868 68.868 0.057 0.000 0.866 35 T HN -0.028 nan 8.240 nan 0.000 0.444 36 F N 2.068 121.999 119.950 -0.031 0.000 2.046 36 F HA -0.071 4.467 4.527 0.019 0.000 0.297 36 F C 1.956 177.750 175.800 -0.010 0.000 1.123 36 F CA 1.161 59.142 58.000 -0.032 0.000 1.199 36 F CB -0.749 38.221 39.000 -0.049 0.000 0.972 36 F HN 0.039 nan 8.300 nan 0.000 0.474 37 L N -0.843 120.419 121.223 0.066 0.000 2.265 37 L HA -0.202 4.150 4.340 0.019 0.000 0.215 37 L C 2.217 179.077 176.870 -0.018 0.000 1.117 37 L CA 0.527 55.358 54.840 -0.014 0.000 0.782 37 L CB -0.780 41.386 42.059 0.179 0.000 0.914 37 L HN 0.045 nan 8.230 nan 0.000 0.441 38 V N -0.445 119.475 119.914 0.009 0.000 2.488 38 V HA -0.210 3.921 4.120 0.019 0.000 0.246 38 V C 2.398 178.433 176.094 -0.099 0.000 1.046 38 V CA 1.581 63.890 62.300 0.015 0.000 1.053 38 V CB -0.104 31.749 31.823 0.049 0.000 0.679 38 V HN 0.439 nan 8.190 nan 0.000 0.458 39 E N -0.174 119.956 120.200 -0.116 0.000 2.158 39 E HA -0.088 4.274 4.350 0.019 0.000 0.191 39 E C 2.193 178.650 176.600 -0.238 0.000 0.982 39 E CA 0.643 56.946 56.400 -0.162 0.000 0.823 39 E CB 0.029 29.675 29.700 -0.089 0.000 0.766 39 E HN 0.513 nan 8.360 nan 0.000 0.468 40 L N 0.556 121.597 121.223 -0.302 0.000 2.217 40 L HA -0.117 4.235 4.340 0.019 0.000 0.211 40 L C 2.560 179.293 176.870 -0.229 0.000 1.107 40 L CA 1.141 55.785 54.840 -0.326 0.000 0.783 40 L CB -0.220 41.545 42.059 -0.489 0.000 0.919 40 L HN 0.219 nan 8.230 nan 0.000 0.442 41 S N -0.629 114.951 115.700 -0.199 0.000 2.395 41 S HA -0.118 4.364 4.470 0.019 0.000 0.225 41 S C 2.034 176.440 174.600 -0.324 0.000 1.027 41 S CA 0.228 58.345 58.200 -0.139 0.000 0.965 41 S CB -0.285 62.935 63.200 0.033 0.000 0.812 41 S HN 0.318 nan 8.310 nan 0.000 0.482 42 R N 0.770 120.890 120.500 -0.633 0.000 2.091 42 R HA -0.035 4.317 4.340 0.019 0.000 0.238 42 R C 2.221 178.304 176.300 -0.361 0.000 1.136 42 R CA 1.612 57.213 56.100 -0.831 0.000 0.959 42 R CB -0.858 29.029 30.300 -0.690 0.000 0.856 42 R HN 0.365 nan 8.270 nan 0.000 0.437 43 V N 1.128 120.893 119.914 -0.248 0.000 2.515 43 V HA -0.194 3.937 4.120 0.019 0.000 0.250 43 V C 2.064 178.093 176.094 -0.108 0.000 1.058 43 V CA 1.241 63.450 62.300 -0.151 0.000 1.064 43 V CB -0.346 31.396 31.823 -0.134 0.000 0.675 43 V HN 0.246 nan 8.190 nan 0.000 0.461 44 L N 0.716 121.876 121.223 -0.105 0.000 2.179 44 L HA 0.146 4.498 4.340 0.019 0.000 0.208 44 L C 2.333 179.198 176.870 -0.010 0.000 1.096 44 L CA 2.055 56.865 54.840 -0.050 0.000 0.779 44 L CB -0.724 41.314 42.059 -0.036 0.000 0.922 44 L HN 0.177 nan 8.230 nan 0.000 0.443 45 A N -0.563 122.257 122.820 0.000 0.000 1.970 45 A HA -0.083 4.249 4.320 0.019 0.000 0.216 45 A C 1.180 178.796 177.584 0.054 0.000 1.170 45 A CA 0.628 52.712 52.037 0.079 0.000 0.645 45 A CB -0.812 18.323 19.000 0.226 0.000 0.816 45 A HN 0.532 nan 8.150 nan 0.000 0.447 46 N N 0.676 119.379 118.700 0.005 0.000 2.416 46 N HA 0.165 4.917 4.740 0.019 0.000 0.265 46 N C -2.180 173.332 175.510 0.003 0.000 1.195 46 N CA -1.963 51.090 53.050 0.005 0.000 0.943 46 N CB 1.054 39.527 38.487 -0.024 0.000 1.115 46 N HN -0.021 nan 8.380 nan 0.000 0.481 47 P HA 0.048 nan 4.420 nan 0.000 0.226 47 P C 1.000 178.301 177.300 0.002 0.000 1.153 47 P CA 0.663 63.770 63.100 0.011 0.000 0.777 47 P CB 0.144 31.856 31.700 0.020 0.000 0.794 48 G N -1.280 107.521 108.800 0.000 0.000 2.679 48 G HA2 -0.097 3.874 3.960 0.019 0.000 0.212 48 G HA3 -0.097 3.874 3.960 0.019 0.000 0.212 48 G C 0.778 175.670 174.900 -0.014 0.000 1.137 48 G CA 0.022 45.120 45.100 -0.004 0.000 0.787 48 G HN 0.263 nan 8.290 nan 0.000 0.534 49 N N 0.840 119.528 118.700 -0.021 0.000 2.467 49 N HA 0.200 4.952 4.740 0.019 0.000 0.262 49 N C 0.572 176.061 175.510 -0.035 0.000 1.234 49 N CA 0.001 53.032 53.050 -0.032 0.000 0.952 49 N CB 1.203 39.664 38.487 -0.043 0.000 1.158 49 N HN 0.219 nan 8.380 nan 0.000 0.463 50 S N -0.150 115.525 115.700 -0.042 0.000 2.572 50 S HA -0.008 4.474 4.470 0.019 0.000 0.279 50 S C 1.138 175.696 174.600 -0.070 0.000 1.341 50 S CA -0.405 57.766 58.200 -0.049 0.000 1.043 50 S CB 1.265 64.436 63.200 -0.049 0.000 0.887 50 S HN 0.602 nan 8.310 nan 0.000 0.516 51 Q N 1.294 121.044 119.800 -0.083 0.000 2.152 51 Q HA -0.128 4.224 4.340 0.019 0.000 0.206 51 Q C 1.838 177.724 176.000 -0.191 0.000 0.985 51 Q CA 1.911 57.631 55.803 -0.139 0.000 0.863 51 Q CB -0.352 28.291 28.738 -0.157 0.000 0.904 51 Q HN 0.786 nan 8.270 nan 0.000 0.422 52 V N 0.447 120.269 119.914 -0.152 0.000 2.261 52 V HA -0.291 3.840 4.120 0.019 0.000 0.246 52 V C 2.285 178.311 176.094 -0.112 0.000 1.047 52 V CA 1.822 64.036 62.300 -0.143 0.000 1.015 52 V CB -1.172 30.592 31.823 -0.098 0.000 0.642 52 V HN 0.498 nan 8.190 nan 0.000 0.446 53 A N -0.133 122.635 122.820 -0.087 0.000 1.865 53 A HA -0.271 4.061 4.320 0.019 0.000 0.217 53 A C 2.387 179.924 177.584 -0.078 0.000 1.191 53 A CA 2.179 54.173 52.037 -0.071 0.000 0.623 53 A CB -0.640 18.324 19.000 -0.060 0.000 0.826 53 A HN 0.463 nan 8.150 nan 0.000 0.444 54 R N -0.904 119.547 120.500 -0.082 0.000 2.096 54 R HA -0.138 4.213 4.340 0.019 0.000 0.240 54 R C 2.027 178.280 176.300 -0.078 0.000 1.139 54 R CA 1.757 57.812 56.100 -0.074 0.000 0.952 54 R CB -0.552 29.711 30.300 -0.062 0.000 0.854 54 R HN 0.404 nan 8.270 nan 0.000 0.436 55 V N 0.348 120.196 119.914 -0.111 0.000 2.548 55 V HA -0.159 3.972 4.120 0.019 0.000 0.249 55 V C 2.248 178.297 176.094 -0.074 0.000 1.055 55 V CA 1.692 63.930 62.300 -0.104 0.000 1.065 55 V CB -0.324 31.377 31.823 -0.204 0.000 0.681 55 V HN 0.418 nan 8.190 nan 0.000 0.462 56 A N -0.028 122.747 122.820 -0.075 0.000 1.968 56 A HA 0.016 4.348 4.320 0.019 0.000 0.217 56 A C 2.390 179.943 177.584 -0.051 0.000 1.169 56 A CA 1.689 53.696 52.037 -0.050 0.000 0.638 56 A CB -0.521 18.454 19.000 -0.041 0.000 0.812 56 A HN 0.523 nan 8.150 nan 0.000 0.446 57 A N -0.449 122.327 122.820 -0.073 0.000 1.897 57 A HA 0.188 4.519 4.320 0.019 0.000 0.215 57 A C 2.343 179.867 177.584 -0.100 0.000 1.181 57 A CA 1.701 53.674 52.037 -0.107 0.000 0.620 57 A CB -1.215 17.711 19.000 -0.124 0.000 0.821 57 A HN 0.677 nan 8.150 nan 0.000 0.443 58 G N -0.574 108.184 108.800 -0.071 0.000 2.448 58 G HA2 -0.037 3.934 3.960 0.019 0.000 0.218 58 G HA3 -0.037 3.934 3.960 0.019 0.000 0.218 58 G C 1.401 176.270 174.900 -0.052 0.000 1.135 58 G CA 1.058 46.123 45.100 -0.057 0.000 0.784 58 G HN 0.454 nan 8.290 nan 0.000 0.543 59 L N -0.098 121.101 121.223 -0.040 0.000 2.217 59 L HA 0.118 4.470 4.340 0.019 0.000 0.211 59 L C 2.601 179.458 176.870 -0.021 0.000 1.107 59 L CA 1.269 56.094 54.840 -0.026 0.000 0.783 59 L CB -0.184 41.868 42.059 -0.011 0.000 0.919 59 L HN 0.081 nan 8.230 nan 0.000 0.442 60 Q N -0.395 119.388 119.800 -0.029 0.000 2.049 60 Q HA -0.084 4.267 4.340 0.019 0.000 0.198 60 Q C 2.222 178.207 176.000 -0.026 0.000 0.971 60 Q CA 1.382 57.182 55.803 -0.005 0.000 0.833 60 Q CB -0.146 28.579 28.738 -0.021 0.000 0.896 60 Q HN 0.477 nan 8.270 nan 0.000 0.434 61 I N 0.921 121.446 120.570 -0.076 0.000 2.315 61 I HA -0.236 3.945 4.170 0.019 0.000 0.248 61 I C 2.323 178.378 176.117 -0.103 0.000 1.117 61 I CA 1.111 62.353 61.300 -0.095 0.000 1.404 61 I CB -0.761 37.171 38.000 -0.114 0.000 1.071 61 I HN 0.243 nan 8.210 nan 0.000 0.419 62 K N 1.141 121.492 120.400 -0.082 0.000 2.097 62 K HA -0.141 4.191 4.320 0.019 0.000 0.206 62 K C 0.999 177.575 176.600 -0.039 0.000 1.049 62 K CA 1.165 57.405 56.287 -0.079 0.000 0.933 62 K CB 0.057 32.514 32.500 -0.072 0.000 0.717 62 K HN 0.271 nan 8.250 nan 0.000 0.442 63 N N 0.577 119.266 118.700 -0.017 0.000 2.389 63 N HA 0.042 4.794 4.740 0.019 0.000 0.237 63 N C -0.353 175.114 175.510 -0.072 0.000 1.148 63 N CA 0.203 53.268 53.050 0.025 0.000 0.854 63 N CB 1.129 39.642 38.487 0.043 0.000 1.115 63 N HN 0.044 nan 8.380 nan 0.000 0.492 64 S N -0.738 114.880 115.700 -0.135 0.000 2.728 64 S HA 0.308 4.790 4.470 0.019 0.000 0.257 64 S C 1.208 175.675 174.600 -0.221 0.000 1.060 64 S CA -0.222 57.794 58.200 -0.306 0.000 1.126 64 S CB 0.976 64.109 63.200 -0.112 0.000 1.099 64 S HN 0.162 nan 8.310 nan 0.000 0.617 65 L N 0.384 121.580 121.223 -0.046 0.000 3.039 65 L HA 0.401 4.752 4.340 0.019 0.000 0.269 65 L C 0.450 177.386 176.870 0.111 0.000 1.169 65 L CA 0.331 55.174 54.840 0.004 0.000 0.986 65 L CB 1.569 43.491 42.059 -0.227 0.000 1.377 65 L HN 0.150 nan 8.230 nan 0.000 0.575 66 T N -1.250 113.415 114.554 0.184 0.000 2.769 66 T HA 0.686 5.048 4.350 0.019 0.000 0.306 66 T C -1.480 173.281 174.700 0.102 0.000 1.400 66 T CA 0.164 62.323 62.100 0.100 0.000 1.007 66 T CB 1.612 70.485 68.868 0.008 0.000 1.392 66 T HN 0.104 nan 8.240 nan 0.000 0.500 67 S N 1.007 116.707 115.700 0.000 0.000 2.643 67 S HA 0.484 4.966 4.470 0.019 0.000 0.266 67 S C -0.090 174.483 174.600 -0.045 0.000 1.130 67 S CA -0.853 57.333 58.200 -0.024 0.000 0.817 67 S CB 1.246 64.390 63.200 -0.093 0.000 1.107 67 S HN 0.639 nan 8.310 nan 0.000 0.471 68 K N 0.776 121.153 120.400 -0.038 0.000 2.103 68 K HA 0.187 4.518 4.320 0.019 0.000 0.204 68 K C 0.346 176.907 176.600 -0.066 0.000 1.052 68 K CA 1.118 57.384 56.287 -0.034 0.000 0.945 68 K CB -0.168 32.324 32.500 -0.012 0.000 0.722 68 K HN 0.632 nan 8.250 nan 0.000 0.443 69 D N 0.676 121.013 120.400 -0.104 0.000 2.344 69 D HA 0.024 4.676 4.640 0.019 0.000 0.253 69 D C -1.959 174.237 176.300 -0.173 0.000 1.255 69 D CA -1.926 51.978 54.000 -0.161 0.000 0.894 69 D CB 1.235 41.909 40.800 -0.211 0.000 1.067 69 D HN -0.094 nan 8.370 nan 0.000 0.492 70 P HA -0.114 nan 4.420 nan 0.000 0.216 70 P C 0.750 177.964 177.300 -0.143 0.000 1.150 70 P CA 0.867 63.889 63.100 -0.130 0.000 0.837 70 P CB 0.388 32.014 31.700 -0.124 0.000 0.786 71 D N -0.895 119.398 120.400 -0.178 0.000 2.178 71 D HA -0.055 4.596 4.640 0.019 0.000 0.202 71 D C 1.949 178.141 176.300 -0.180 0.000 0.974 71 D CA 1.011 54.916 54.000 -0.157 0.000 0.841 71 D CB -0.256 40.441 40.800 -0.172 0.000 0.953 71 D HN 0.257 nan 8.370 nan 0.000 0.478 72 I N 0.751 121.172 120.570 -0.248 0.000 2.480 72 I HA -0.130 4.051 4.170 0.019 0.000 0.251 72 I C 2.482 178.306 176.117 -0.487 0.000 1.124 72 I CA 0.500 61.572 61.300 -0.380 0.000 1.444 72 I CB 0.011 37.765 38.000 -0.410 0.000 1.098 72 I HN -0.137 nan 8.210 nan 0.000 0.428 73 K N 1.918 122.132 120.400 -0.311 0.000 2.025 73 K HA -0.145 4.187 4.320 0.019 0.000 0.207 73 K C 2.079 178.616 176.600 -0.105 0.000 1.049 73 K CA 1.557 57.721 56.287 -0.204 0.000 0.933 73 K CB -0.109 32.325 32.500 -0.110 0.000 0.714 73 K HN 0.258 nan 8.250 nan 0.000 0.438 74 A N 0.953 123.720 122.820 -0.088 0.000 2.216 74 A HA -0.151 4.181 4.320 0.019 0.000 0.214 74 A C 1.894 179.475 177.584 -0.006 0.000 1.160 74 A CA 1.154 53.175 52.037 -0.027 0.000 0.725 74 A CB -0.334 18.651 19.000 -0.024 0.000 0.784 74 A HN 0.580 nan 8.150 nan 0.000 0.472 75 Q N -1.911 117.859 119.800 -0.051 0.000 2.259 75 Q HA -0.056 4.296 4.340 0.019 0.000 0.201 75 Q C 1.190 177.294 176.000 0.174 0.000 0.938 75 Q CA 0.598 56.411 55.803 0.016 0.000 0.872 75 Q CB -0.022 28.686 28.738 -0.049 0.000 0.971 75 Q HN 0.671 nan 8.270 nan 0.000 0.494 76 Y N 1.122 121.440 120.300 0.029 0.000 2.439 76 Y HA -0.054 4.507 4.550 0.019 0.000 0.292 76 Y C 1.923 177.878 175.900 0.092 0.000 1.130 76 Y CA 0.701 58.831 58.100 0.051 0.000 1.254 76 Y CB -0.132 38.342 38.460 0.023 0.000 1.000 76 Y HN 0.256 nan 8.280 nan 0.000 0.554 77 Q N -0.693 119.245 119.800 0.231 0.000 2.137 77 Q HA -0.133 4.219 4.340 0.019 0.000 0.198 77 Q C 2.018 178.149 176.000 0.218 0.000 0.960 77 Q CA 0.849 56.771 55.803 0.197 0.000 0.847 77 Q CB 0.018 28.829 28.738 0.121 0.000 0.915 77 Q HN 0.385 nan 8.270 nan 0.000 0.448 78 Q N 0.418 120.315 119.800 0.161 0.000 2.172 78 Q HA -0.102 4.250 4.340 0.019 0.000 0.200 78 Q C 1.885 177.957 176.000 0.120 0.000 0.964 78 Q CA 0.970 56.846 55.803 0.121 0.000 0.855 78 Q CB -0.179 28.608 28.738 0.082 0.000 0.918 78 Q HN 0.287 nan 8.270 nan 0.000 0.444 79 R N 0.053 120.645 120.500 0.152 0.000 2.115 79 R HA -0.117 4.235 4.340 0.019 0.000 0.230 79 R C 2.001 178.378 176.300 0.128 0.000 1.111 79 R CA 0.919 57.092 56.100 0.121 0.000 0.976 79 R CB -0.182 30.200 30.300 0.137 0.000 0.870 79 R HN 0.407 nan 8.270 nan 0.000 0.445 80 W N 1.078 122.386 121.300 0.012 0.000 2.407 80 W HA -0.148 4.524 4.660 0.020 0.000 0.305 80 W C 1.192 177.698 176.519 -0.020 0.000 1.196 80 W CA 0.822 58.160 57.345 -0.012 0.000 1.311 80 W CB -0.344 29.110 29.460 -0.010 0.000 1.135 80 W HN 0.097 nan 8.180 nan 0.000 0.514 81 L N 1.586 122.818 121.223 0.014 0.000 2.265 81 L HA -0.136 4.216 4.340 0.019 0.000 0.215 81 L C 2.571 179.352 176.870 -0.147 0.000 1.117 81 L CA 1.234 56.019 54.840 -0.092 0.000 0.782 81 L CB -0.879 41.221 42.059 0.070 0.000 0.914 81 L HN -0.008 nan 8.230 nan 0.000 0.441 82 A N -0.540 122.215 122.820 -0.110 0.000 2.251 82 A HA 0.221 4.552 4.320 0.019 0.000 0.209 82 A C 1.026 178.523 177.584 -0.145 0.000 1.187 82 A CA -0.109 51.870 52.037 -0.096 0.000 0.823 82 A CB -0.363 18.610 19.000 -0.045 0.000 0.846 82 A HN 0.232 nan 8.150 nan 0.000 0.486 83 I N -0.254 120.167 120.570 -0.249 0.000 3.021 83 I HA 0.084 4.266 4.170 0.019 0.000 0.303 83 I C 0.411 176.377 176.117 -0.252 0.000 1.044 83 I CA -0.689 60.448 61.300 -0.272 0.000 1.266 83 I CB 0.447 38.189 38.000 -0.429 0.000 1.447 83 I HN 0.142 nan 8.210 nan 0.000 0.593 84 D N 2.351 122.630 120.400 -0.202 0.000 2.487 84 D HA 0.039 4.691 4.640 0.019 0.000 0.243 84 D C 0.914 177.098 176.300 -0.193 0.000 1.154 84 D CA 0.294 54.199 54.000 -0.159 0.000 0.876 84 D CB 1.213 41.942 40.800 -0.118 0.000 1.161 84 D HN 0.579 nan 8.370 nan 0.000 0.478 85 A N 4.190 126.918 122.820 -0.153 0.000 2.139 85 A HA -0.248 4.083 4.320 0.019 0.000 0.221 85 A C 1.758 179.263 177.584 -0.132 0.000 1.159 85 A CA 1.504 53.453 52.037 -0.148 0.000 0.662 85 A CB -0.363 18.579 19.000 -0.095 0.000 0.796 85 A HN 0.687 nan 8.150 nan 0.000 0.463 86 N N -0.724 117.909 118.700 -0.112 0.000 2.432 86 N HA 0.201 4.952 4.740 0.019 0.000 0.174 86 N C 1.789 177.245 175.510 -0.089 0.000 1.037 86 N CA 1.030 54.030 53.050 -0.084 0.000 0.892 86 N CB -0.300 38.153 38.487 -0.057 0.000 1.049 86 N HN 0.361 nan 8.380 nan 0.000 0.442 87 A N 1.231 123.982 122.820 -0.114 0.000 1.902 87 A HA -0.082 4.249 4.320 0.019 0.000 0.217 87 A C 2.050 179.556 177.584 -0.131 0.000 1.181 87 A CA 1.169 53.145 52.037 -0.101 0.000 0.623 87 A CB -0.331 18.595 19.000 -0.123 0.000 0.818 87 A HN 0.172 nan 8.150 nan 0.000 0.443 88 R N -1.090 119.252 120.500 -0.264 0.000 2.148 88 R HA -0.075 4.277 4.340 0.019 0.000 0.227 88 R C 2.409 178.632 176.300 -0.130 0.000 1.103 88 R CA 1.321 57.221 56.100 -0.334 0.000 0.983 88 R CB -0.247 29.689 30.300 -0.607 0.000 0.874 88 R HN 0.554 nan 8.270 nan 0.000 0.451 89 R N 1.263 121.689 120.500 -0.123 0.000 2.115 89 R HA -0.124 4.228 4.340 0.019 0.000 0.230 89 R C 1.583 177.849 176.300 -0.056 0.000 1.111 89 R CA 1.410 57.458 56.100 -0.087 0.000 0.976 89 R CB 0.157 30.415 30.300 -0.069 0.000 0.870 89 R HN 0.285 nan 8.270 nan 0.000 0.445 90 E N -0.549 119.637 120.200 -0.023 0.000 2.051 90 E HA -0.115 4.247 4.350 0.019 0.000 0.189 90 E C 1.966 178.635 176.600 0.114 0.000 0.979 90 E CA 1.238 57.641 56.400 0.006 0.000 0.803 90 E CB 0.126 29.890 29.700 0.108 0.000 0.761 90 E HN 0.111 nan 8.360 nan 0.000 0.451 91 V N 1.986 121.998 119.914 0.164 0.000 2.324 91 V HA -0.309 3.823 4.120 0.019 0.000 0.250 91 V C 2.130 178.315 176.094 0.151 0.000 1.060 91 V CA 1.883 64.319 62.300 0.228 0.000 1.042 91 V CB -0.452 31.562 31.823 0.319 0.000 0.650 91 V HN 0.195 nan 8.190 nan 0.000 0.450 92 K N 0.138 120.556 120.400 0.030 0.000 2.097 92 K HA -0.113 4.218 4.320 0.019 0.000 0.205 92 K C 1.838 178.514 176.600 0.127 0.000 1.050 92 K CA 1.407 57.658 56.287 -0.059 0.000 0.938 92 K CB -0.257 31.985 32.500 -0.430 0.000 0.718 92 K HN 0.430 nan 8.250 nan 0.000 0.442 93 N N -0.231 118.486 118.700 0.030 0.000 2.550 93 N HA -0.084 4.668 4.740 0.019 0.000 0.186 93 N C 0.952 176.414 175.510 -0.079 0.000 1.110 93 N CA 0.963 53.993 53.050 -0.033 0.000 0.912 93 N CB 0.071 38.456 38.487 -0.171 0.000 0.968 93 N HN 0.252 nan 8.380 nan 0.000 0.448 94 Y N -0.421 119.923 120.300 0.074 0.000 2.422 94 Y HA 0.162 4.724 4.550 0.019 0.000 0.291 94 Y C 2.236 178.174 175.900 0.064 0.000 1.144 94 Y CA 0.077 58.209 58.100 0.053 0.000 1.208 94 Y CB -0.410 38.067 38.460 0.027 0.000 1.195 94 Y HN -0.218 nan 8.280 nan 0.000 0.535 95 V N 0.016 120.075 119.914 0.241 0.000 2.407 95 V HA -0.259 3.872 4.120 0.019 0.000 0.248 95 V C 2.171 178.381 176.094 0.194 0.000 1.055 95 V CA 1.721 64.127 62.300 0.176 0.000 1.049 95 V CB -0.623 31.284 31.823 0.139 0.000 0.662 95 V HN 0.292 nan 8.190 nan 0.000 0.455 96 L N -0.455 120.913 121.223 0.242 0.000 2.179 96 L HA -0.072 4.280 4.340 0.019 0.000 0.208 96 L C 2.334 179.284 176.870 0.133 0.000 1.096 96 L CA 1.707 56.679 54.840 0.221 0.000 0.779 96 L CB -0.512 41.739 42.059 0.319 0.000 0.922 96 L HN 0.320 nan 8.230 nan 0.000 0.443 97 Q N -1.612 118.262 119.800 0.122 0.000 2.378 97 Q HA -0.096 4.255 4.340 0.019 0.000 0.205 97 Q C 1.753 177.809 176.000 0.093 0.000 0.954 97 Q CA 1.394 57.252 55.803 0.091 0.000 0.901 97 Q CB -0.023 28.760 28.738 0.074 0.000 0.981 97 Q HN 0.466 nan 8.270 nan 0.000 0.483 98 T N 1.318 115.937 114.554 0.109 0.000 2.881 98 T HA -0.060 4.301 4.350 0.019 0.000 0.270 98 T C 0.720 175.464 174.700 0.072 0.000 1.068 98 T CA 0.466 62.620 62.100 0.090 0.000 1.131 98 T CB -0.153 68.768 68.868 0.088 0.000 0.871 98 T HN 0.182 nan 8.240 nan 0.000 0.479 99 L N 1.187 122.454 121.223 0.074 0.000 2.578 99 L HA 0.254 4.605 4.340 0.019 0.000 0.279 99 L C 1.715 178.624 176.870 0.065 0.000 1.227 99 L CA 0.628 55.508 54.840 0.066 0.000 0.900 99 L CB -0.048 42.047 42.059 0.060 0.000 1.144 99 L HN 0.455 nan 8.230 nan 0.000 0.496 100 G N 1.581 110.425 108.800 0.072 0.000 2.241 100 G HA2 -0.318 3.653 3.960 0.019 0.000 0.244 100 G HA3 -0.318 3.653 3.960 0.019 0.000 0.244 100 G C 0.711 175.657 174.900 0.076 0.000 0.998 100 G CA 0.405 45.559 45.100 0.090 0.000 0.621 100 G HN 0.701 nan 8.290 nan 0.000 0.519 101 T N -1.449 113.135 114.554 0.050 0.000 3.186 101 T HA 0.536 4.898 4.350 0.019 0.000 0.257 101 T C 0.260 174.963 174.700 0.005 0.000 1.029 101 T CA 0.434 62.556 62.100 0.036 0.000 0.916 101 T CB 0.581 69.475 68.868 0.043 0.000 1.041 101 T HN 0.441 nan 8.240 nan 0.000 0.562 102 E N 0.848 121.027 120.200 -0.035 0.000 2.129 102 E HA 0.312 4.673 4.350 0.019 0.000 0.268 102 E C 0.106 176.563 176.600 -0.238 0.000 0.900 102 E CA -0.434 55.924 56.400 -0.070 0.000 0.755 102 E CB 1.556 31.244 29.700 -0.019 0.000 1.117 102 E HN 0.103 nan 8.360 nan 0.000 0.410 103 T N 2.030 116.495 114.554 -0.148 0.000 3.043 103 T HA -0.092 4.269 4.350 0.019 0.000 0.263 103 T C 0.290 174.927 174.700 -0.105 0.000 1.094 103 T CA 0.409 62.393 62.100 -0.193 0.000 1.127 103 T CB -0.113 68.736 68.868 -0.031 0.000 0.905 103 T HN 0.372 nan 8.240 nan 0.000 0.490 104 Y N 3.006 123.220 120.300 -0.143 0.000 2.480 104 Y HA 0.158 4.720 4.550 0.020 0.000 0.338 104 Y C 1.439 177.285 175.900 -0.090 0.000 1.220 104 Y CA -1.224 56.828 58.100 -0.081 0.000 1.430 104 Y CB 0.596 39.025 38.460 -0.051 0.000 1.311 104 Y HN -0.231 nan 8.280 nan 0.000 0.575 105 R N 3.219 123.352 120.500 -0.613 0.000 2.075 105 R HA -0.009 4.343 4.340 0.019 0.000 0.230 105 R C -1.657 174.426 176.300 -0.362 0.000 1.140 105 R CA 0.933 56.779 56.100 -0.423 0.000 0.928 105 R CB -2.088 28.003 30.300 -0.349 0.000 0.834 105 R HN 0.526 nan 8.270 nan 0.000 0.429 106 P HA 0.102 nan 4.420 nan 0.000 0.280 106 P C -0.465 176.845 177.300 0.017 0.000 1.300 106 P CA 0.058 63.064 63.100 -0.158 0.000 0.785 106 P CB 1.134 32.776 31.700 -0.096 0.000 0.874 107 S N 2.475 118.208 115.700 0.055 0.000 2.579 107 S HA 0.106 4.588 4.470 0.019 0.000 0.275 107 S C 1.196 175.860 174.600 0.105 0.000 1.345 107 S CA -0.025 58.232 58.200 0.095 0.000 1.031 107 S CB 0.267 63.513 63.200 0.076 0.000 0.892 107 S HN 0.314 nan 8.310 nan 0.000 0.529 108 S N 3.080 118.834 115.700 0.090 0.000 2.483 108 S HA 0.163 4.645 4.470 0.019 0.000 0.221 108 S C 2.148 176.763 174.600 0.025 0.000 1.030 108 S CA 0.372 58.600 58.200 0.048 0.000 0.925 108 S CB -0.393 62.827 63.200 0.032 0.000 0.795 108 S HN 0.837 nan 8.310 nan 0.000 0.511 109 A N 2.007 124.855 122.820 0.046 0.000 1.883 109 A HA -0.123 4.208 4.320 0.019 0.000 0.217 109 A C 2.248 179.867 177.584 0.057 0.000 1.186 109 A CA 2.070 54.140 52.037 0.056 0.000 0.624 109 A CB -1.060 17.985 19.000 0.075 0.000 0.822 109 A HN 0.438 nan 8.150 nan 0.000 0.444 110 S N -0.127 115.615 115.700 0.070 0.000 2.368 110 S HA -0.271 4.211 4.470 0.019 0.000 0.226 110 S C 2.017 176.628 174.600 0.018 0.000 1.044 110 S CA 1.814 60.072 58.200 0.097 0.000 1.062 110 S CB -0.432 62.881 63.200 0.188 0.000 0.931 110 S HN 0.729 nan 8.310 nan 0.000 0.440 111 Q N -0.553 119.183 119.800 -0.107 0.000 2.369 111 Q HA 0.004 4.355 4.340 0.019 0.000 0.206 111 Q C 2.233 178.142 176.000 -0.151 0.000 0.963 111 Q CA 0.793 56.428 55.803 -0.280 0.000 0.894 111 Q CB -0.277 28.251 28.738 -0.350 0.000 0.965 111 Q HN 0.586 nan 8.270 nan 0.000 0.475 112 C N -0.739 118.516 119.300 -0.075 0.000 2.631 112 C HA -0.037 4.435 4.460 0.019 0.000 0.283 112 C C 2.576 177.563 174.990 -0.005 0.000 1.295 112 C CA -0.019 58.957 59.018 -0.070 0.000 1.697 112 C CB -0.861 26.849 27.740 -0.050 0.000 2.128 112 C HN 0.272 nan 8.230 nan 0.000 0.503 113 V N 1.970 121.945 119.914 0.102 0.000 2.280 113 V HA -0.375 3.757 4.120 0.019 0.000 0.258 113 V C 2.697 178.896 176.094 0.175 0.000 1.081 113 V CA 2.648 65.089 62.300 0.235 0.000 1.070 113 V CB -1.371 30.542 31.823 0.150 0.000 0.666 113 V HN 0.656 nan 8.190 nan 0.000 0.450 114 A N 0.002 122.865 122.820 0.071 0.000 1.858 114 A HA -0.096 4.235 4.320 0.019 0.000 0.216 114 A C 2.467 180.062 177.584 0.017 0.000 1.190 114 A CA 2.080 54.148 52.037 0.050 0.000 0.617 114 A CB -1.399 17.604 19.000 0.004 0.000 0.827 114 A HN 0.577 nan 8.150 nan 0.000 0.443 115 G N -0.059 108.708 108.800 -0.055 0.000 2.440 115 G HA2 -0.224 3.748 3.960 0.019 0.000 0.218 115 G HA3 -0.224 3.748 3.960 0.019 0.000 0.218 115 G C 1.508 176.313 174.900 -0.159 0.000 1.154 115 G CA 1.268 46.303 45.100 -0.108 0.000 0.767 115 G HN 0.498 nan 8.290 nan 0.000 0.552 116 I N 1.135 121.592 120.570 -0.189 0.000 2.353 116 I HA -0.045 4.136 4.170 0.019 0.000 0.248 116 I C 3.234 179.388 176.117 0.062 0.000 1.119 116 I CA 0.731 61.853 61.300 -0.296 0.000 1.417 116 I CB -0.160 37.597 38.000 -0.405 0.000 1.078 116 I HN 0.230 nan 8.210 nan 0.000 0.421 117 A N 0.128 123.098 122.820 0.249 0.000 1.902 117 A HA -0.231 4.100 4.320 0.019 0.000 0.217 117 A C 2.355 180.029 177.584 0.149 0.000 1.181 117 A CA 1.748 53.951 52.037 0.276 0.000 0.623 117 A CB -1.263 17.843 19.000 0.178 0.000 0.818 117 A HN 0.549 nan 8.150 nan 0.000 0.443 118 C N -1.055 118.297 119.300 0.086 0.000 2.422 118 C HA 0.159 4.631 4.460 0.019 0.000 0.286 118 C C 2.945 177.977 174.990 0.071 0.000 1.412 118 C CA 0.793 59.849 59.018 0.064 0.000 1.786 118 C CB -1.399 26.366 27.740 0.041 0.000 1.835 118 C HN 0.687 nan 8.230 nan 0.000 0.533 119 A N -0.238 122.630 122.820 0.081 0.000 1.993 119 A HA 0.071 4.403 4.320 0.019 0.000 0.207 119 A C 1.991 179.677 177.584 0.170 0.000 1.224 119 A CA 0.396 52.503 52.037 0.117 0.000 0.749 119 A CB -0.193 18.872 19.000 0.109 0.000 0.884 119 A HN 0.558 nan 8.150 nan 0.000 0.467 120 E N -0.436 119.886 120.200 0.203 0.000 2.276 120 E HA 0.006 4.367 4.350 0.019 0.000 0.193 120 E C 1.501 178.221 176.600 0.200 0.000 0.983 120 E CA 0.221 56.761 56.400 0.233 0.000 0.861 120 E CB -0.022 29.862 29.700 0.307 0.000 0.817 120 E HN 0.443 nan 8.360 nan 0.000 0.485 121 I N 2.054 122.732 120.570 0.180 0.000 2.118 121 I HA -0.226 3.955 4.170 0.019 0.000 0.241 121 I C -0.770 175.396 176.117 0.081 0.000 1.070 121 I CA 1.210 62.582 61.300 0.120 0.000 1.327 121 I CB -1.759 36.288 38.000 0.077 0.000 1.034 121 I HN 0.099 nan 8.210 nan 0.000 0.405 122 P HA -0.125 nan 4.420 nan 0.000 0.218 122 P C 1.225 178.559 177.300 0.057 0.000 1.146 122 P CA 1.789 64.922 63.100 0.054 0.000 0.813 122 P CB -0.184 31.551 31.700 0.058 0.000 0.778 123 V N -5.917 114.041 119.914 0.074 0.000 3.276 123 V HA 0.351 4.483 4.120 0.019 0.000 0.319 123 V C 0.275 176.412 176.094 0.072 0.000 1.427 123 V CA -0.478 61.862 62.300 0.067 0.000 1.102 123 V CB -1.205 30.659 31.823 0.069 0.000 1.020 123 V HN -0.024 nan 8.190 nan 0.000 0.456 124 N N 1.522 120.271 118.700 0.081 0.000 2.727 124 N HA -0.266 4.485 4.740 0.019 0.000 0.249 124 N C 0.867 176.442 175.510 0.110 0.000 1.048 124 N CA 1.335 54.437 53.050 0.087 0.000 0.714 124 N CB -0.733 37.790 38.487 0.059 0.000 0.959 124 N HN 0.742 nan 8.380 nan 0.000 0.544 125 Q N -1.270 118.617 119.800 0.145 0.000 2.408 125 Q HA 0.108 4.459 4.340 0.019 0.000 0.205 125 Q C -0.393 175.745 176.000 0.230 0.000 0.919 125 Q CA 0.558 56.447 55.803 0.145 0.000 0.932 125 Q CB 0.280 29.092 28.738 0.122 0.000 1.058 125 Q HN 0.457 nan 8.270 nan 0.000 0.517 126 W N 1.307 122.643 121.300 0.061 0.000 2.423 126 W HA 0.432 5.104 4.660 0.020 0.000 0.286 126 W C -2.506 174.036 176.519 0.039 0.000 1.001 126 W CA -2.599 54.782 57.345 0.060 0.000 1.643 126 W CB 1.517 31.022 29.460 0.076 0.000 1.593 126 W HN 0.006 nan 8.180 nan 0.000 0.403 127 P HA 0.001 nan 4.420 nan 0.000 0.249 127 P C 0.571 177.889 177.300 0.030 0.000 1.229 127 P CA 0.846 64.006 63.100 0.100 0.000 0.788 127 P CB 0.681 32.436 31.700 0.092 0.000 1.072 128 E N -0.211 120.014 120.200 0.043 0.000 2.216 128 E HA -0.051 4.310 4.350 0.019 0.000 0.192 128 E C 1.835 178.265 176.600 -0.282 0.000 0.988 128 E CA 0.340 56.705 56.400 -0.059 0.000 0.834 128 E CB -0.935 28.823 29.700 0.096 0.000 0.772 128 E HN 0.127 nan 8.360 nan 0.000 0.479 129 L N 0.693 121.573 121.223 -0.572 0.000 1.976 129 L HA -0.100 4.252 4.340 0.019 0.000 0.209 129 L C 2.102 178.739 176.870 -0.389 0.000 1.071 129 L CA 1.611 55.970 54.840 -0.801 0.000 0.746 129 L CB -0.419 41.046 42.059 -0.989 0.000 0.890 129 L HN 0.219 nan 8.230 nan 0.000 0.432 130 I N 0.115 120.535 120.570 -0.249 0.000 2.163 130 I HA -0.123 4.059 4.170 0.019 0.000 0.240 130 I C -0.518 175.535 176.117 -0.106 0.000 1.081 130 I CA 1.044 62.255 61.300 -0.148 0.000 1.353 130 I CB -1.032 36.909 38.000 -0.097 0.000 1.054 130 I HN 0.272 nan 8.210 nan 0.000 0.407 131 P HA -0.191 nan 4.420 nan 0.000 0.223 131 P C 1.257 178.521 177.300 -0.059 0.000 1.151 131 P CA 1.351 64.416 63.100 -0.059 0.000 0.787 131 P CB -0.036 31.639 31.700 -0.043 0.000 0.788 132 Q N -0.021 119.726 119.800 -0.088 0.000 2.163 132 Q HA 0.029 4.380 4.340 0.019 0.000 0.198 132 Q C 2.251 178.209 176.000 -0.070 0.000 0.954 132 Q CA 0.930 56.689 55.803 -0.073 0.000 0.851 132 Q CB -0.883 27.800 28.738 -0.093 0.000 0.928 132 Q HN 0.147 nan 8.270 nan 0.000 0.459 133 L N -0.679 120.485 121.223 -0.099 0.000 2.109 133 L HA -0.077 4.275 4.340 0.019 0.000 0.207 133 L C 2.150 178.996 176.870 -0.041 0.000 1.086 133 L CA 0.681 55.477 54.840 -0.073 0.000 0.760 133 L CB -0.336 41.667 42.059 -0.093 0.000 0.910 133 L HN 0.123 nan 8.230 nan 0.000 0.437 134 V N 0.139 120.028 119.914 -0.040 0.000 2.427 134 V HA -0.214 3.918 4.120 0.019 0.000 0.248 134 V C 2.720 178.805 176.094 -0.015 0.000 1.051 134 V CA 1.617 63.905 62.300 -0.021 0.000 1.048 134 V CB -0.551 31.262 31.823 -0.018 0.000 0.666 134 V HN 0.447 nan 8.190 nan 0.000 0.456 135 A N 0.294 123.102 122.820 -0.020 0.000 1.933 135 A HA -0.206 4.126 4.320 0.019 0.000 0.218 135 A C 1.992 179.572 177.584 -0.007 0.000 1.175 135 A CA 1.855 53.884 52.037 -0.012 0.000 0.628 135 A CB -0.566 18.425 19.000 -0.014 0.000 0.814 135 A HN 0.583 nan 8.150 nan 0.000 0.444 136 N N -0.224 118.471 118.700 -0.008 0.000 2.396 136 N HA -0.055 4.697 4.740 0.019 0.000 0.180 136 N C 1.459 176.970 175.510 0.003 0.000 1.028 136 N CA 1.353 54.404 53.050 0.001 0.000 0.893 136 N CB -0.002 38.487 38.487 0.003 0.000 0.967 136 N HN 0.329 nan 8.380 nan 0.000 0.440 137 V N 0.189 120.103 119.914 -0.001 0.000 2.795 137 V HA -0.045 4.086 4.120 0.019 0.000 0.243 137 V C 2.276 178.370 176.094 0.001 0.000 1.069 137 V CA 1.757 64.058 62.300 0.001 0.000 1.089 137 V CB -0.314 31.509 31.823 -0.000 0.000 0.756 137 V HN 0.407 nan 8.190 nan 0.000 0.471 138 T N -2.095 112.460 114.554 0.002 0.000 3.067 138 T HA 0.001 4.363 4.350 0.019 0.000 0.257 138 T C 0.998 175.698 174.700 0.001 0.000 1.105 138 T CA 0.126 62.227 62.100 0.003 0.000 1.104 138 T CB -0.438 68.433 68.868 0.004 0.000 0.925 138 T HN 0.397 nan 8.240 nan 0.000 0.498 139 N N 3.335 122.035 118.700 0.000 0.000 2.468 139 N HA 0.040 4.792 4.740 0.019 0.000 0.265 139 N C -1.281 174.229 175.510 0.000 0.000 1.199 139 N CA -1.232 51.819 53.050 0.000 0.000 0.928 139 N CB 1.622 40.110 38.487 0.002 0.000 1.059 139 N HN 0.111 nan 8.380 nan 0.000 0.467 140 P HA -0.106 nan 4.420 nan 0.000 0.222 140 P C 0.057 177.356 177.300 -0.002 0.000 1.147 140 P CA 1.338 64.437 63.100 -0.002 0.000 0.790 140 P CB 0.205 31.903 31.700 -0.002 0.000 0.780 141 N N -0.720 117.980 118.700 -0.000 0.000 2.322 141 N HA 0.069 4.820 4.740 0.019 0.000 0.194 141 N C -0.100 175.412 175.510 0.003 0.000 1.126 141 N CA -0.274 52.776 53.050 0.001 0.000 0.845 141 N CB 0.102 38.591 38.487 0.003 0.000 0.976 141 N HN 0.027 nan 8.380 nan 0.000 0.475 142 S N 1.103 116.805 115.700 0.002 0.000 2.549 142 S HA 0.046 4.527 4.470 0.019 0.000 0.283 142 S C 0.943 175.543 174.600 -0.001 0.000 1.320 142 S CA -0.483 57.721 58.200 0.005 0.000 1.058 142 S CB 0.906 64.110 63.200 0.006 0.000 0.882 142 S HN 0.282 nan 8.310 nan 0.000 0.498 143 T N 0.177 114.734 114.554 0.006 0.000 2.698 143 T HA 0.196 4.558 4.350 0.019 0.000 0.295 143 T C 1.182 175.861 174.700 -0.036 0.000 1.007 143 T CA -0.540 61.553 62.100 -0.012 0.000 0.980 143 T CB 0.445 69.320 68.868 0.012 0.000 1.036 143 T HN 0.696 nan 8.240 nan 0.000 0.526 144 E N -0.358 119.778 120.200 -0.107 0.000 2.051 144 E HA -0.232 4.130 4.350 0.019 0.000 0.192 144 E C 1.956 178.489 176.600 -0.113 0.000 0.991 144 E CA 1.106 57.414 56.400 -0.154 0.000 0.799 144 E CB -0.175 29.362 29.700 -0.272 0.000 0.748 144 E HN 0.714 nan 8.360 nan 0.000 0.449 145 H N -0.056 119.016 119.070 0.003 0.000 2.387 145 H HA -0.142 4.425 4.556 0.019 0.000 0.299 145 H C 2.112 177.446 175.328 0.011 0.000 1.090 145 H CA 1.692 57.745 56.048 0.007 0.000 1.332 145 H CB -0.405 29.366 29.762 0.014 0.000 1.386 145 H HN 0.300 nan 8.280 nan 0.000 0.516 146 M N 1.204 120.878 119.600 0.124 0.000 2.086 146 M HA -0.132 4.360 4.480 0.019 0.000 0.261 146 M C 2.014 178.343 176.300 0.048 0.000 1.067 146 M CA 1.748 57.094 55.300 0.077 0.000 1.116 146 M CB 0.034 32.666 32.600 0.054 0.000 1.348 146 M HN -0.050 nan 8.290 nan 0.000 0.407 147 K N -0.320 120.096 120.400 0.028 0.000 2.057 147 K HA -0.202 4.130 4.320 0.019 0.000 0.206 147 K C 2.107 178.717 176.600 0.016 0.000 1.050 147 K CA 1.811 58.106 56.287 0.013 0.000 0.935 147 K CB -0.334 32.164 32.500 -0.003 0.000 0.715 147 K HN 0.589 nan 8.250 nan 0.000 0.439 148 E N 1.088 121.304 120.200 0.025 0.000 2.023 148 E HA -0.212 4.150 4.350 0.019 0.000 0.196 148 E C 1.995 178.619 176.600 0.039 0.000 1.003 148 E CA 2.127 58.545 56.400 0.029 0.000 0.809 148 E CB -0.007 29.725 29.700 0.053 0.000 0.755 148 E HN 0.273 nan 8.360 nan 0.000 0.449 149 S N -0.584 115.155 115.700 0.065 0.000 2.399 149 S HA -0.149 4.333 4.470 0.019 0.000 0.231 149 S C 2.057 176.692 174.600 0.059 0.000 1.022 149 S CA 1.634 59.874 58.200 0.067 0.000 0.983 149 S CB -0.684 62.561 63.200 0.075 0.000 0.803 149 S HN 0.269 nan 8.310 nan 0.000 0.480 150 T N 2.456 117.035 114.554 0.043 0.000 2.904 150 T HA 0.229 4.591 4.350 0.019 0.000 0.267 150 T C 1.618 176.330 174.700 0.021 0.000 1.059 150 T CA 0.969 63.086 62.100 0.029 0.000 1.137 150 T CB -0.360 68.517 68.868 0.015 0.000 0.879 150 T HN 0.311 nan 8.240 nan 0.000 0.467 151 L N 0.488 121.719 121.223 0.012 0.000 2.313 151 L HA 0.087 4.438 4.340 0.019 0.000 0.214 151 L C 2.545 179.407 176.870 -0.013 0.000 1.119 151 L CA 0.942 55.780 54.840 -0.004 0.000 0.809 151 L CB -0.329 41.721 42.059 -0.015 0.000 0.933 151 L HN 0.262 nan 8.230 nan 0.000 0.449 152 E N 0.048 120.251 120.200 0.006 0.000 2.274 152 E HA -0.130 4.231 4.350 0.019 0.000 0.194 152 E C 2.184 178.841 176.600 0.096 0.000 0.996 152 E CA 0.813 57.209 56.400 -0.006 0.000 0.840 152 E CB 0.088 29.820 29.700 0.054 0.000 0.772 152 E HN 0.498 nan 8.360 nan 0.000 0.491 153 A N 1.158 124.048 122.820 0.117 0.000 1.843 153 A HA -0.099 4.232 4.320 0.019 0.000 0.213 153 A C 2.093 179.748 177.584 0.119 0.000 1.202 153 A CA 0.699 52.831 52.037 0.158 0.000 0.607 153 A CB -0.531 18.519 19.000 0.084 0.000 0.847 153 A HN 0.125 nan 8.150 nan 0.000 0.445 154 I N 0.377 120.980 120.570 0.055 0.000 2.399 154 I HA -0.232 3.950 4.170 0.019 0.000 0.254 154 I C 2.488 178.632 176.117 0.046 0.000 1.146 154 I CA 1.053 62.383 61.300 0.049 0.000 1.412 154 I CB -0.580 37.438 38.000 0.029 0.000 1.076 154 I HN 0.397 nan 8.210 nan 0.000 0.432 155 G N -0.114 108.680 108.800 -0.011 0.000 2.422 155 G HA2 -0.218 3.754 3.960 0.019 0.000 0.218 155 G HA3 -0.218 3.754 3.960 0.019 0.000 0.218 155 G C 1.414 176.260 174.900 -0.091 0.000 1.140 155 G CA 0.502 45.540 45.100 -0.103 0.000 0.775 155 G HN 0.281 nan 8.290 nan 0.000 0.545 156 Y N 0.442 120.756 120.300 0.022 0.000 2.269 156 Y HA 0.206 4.768 4.550 0.020 0.000 0.294 156 Y C 2.687 178.609 175.900 0.037 0.000 1.120 156 Y CA -0.035 58.080 58.100 0.025 0.000 1.159 156 Y CB -0.247 38.226 38.460 0.021 0.000 1.024 156 Y HN 0.084 nan 8.280 nan 0.000 0.532 157 I N -0.693 119.996 120.570 0.199 0.000 2.068 157 I HA -0.437 3.744 4.170 0.019 0.000 0.238 157 I C 2.258 178.462 176.117 0.145 0.000 1.046 157 I CA 1.709 63.092 61.300 0.138 0.000 1.306 157 I CB -0.919 37.139 38.000 0.098 0.000 1.023 157 I HN 0.213 nan 8.210 nan 0.000 0.399 158 C N -0.073 119.332 119.300 0.175 0.000 2.403 158 C HA -0.207 4.265 4.460 0.019 0.000 0.279 158 C C 2.793 177.886 174.990 0.172 0.000 1.269 158 C CA 1.057 60.227 59.018 0.254 0.000 1.774 158 C CB -1.408 26.478 27.740 0.243 0.000 1.993 158 C HN 0.593 nan 8.230 nan 0.000 0.496 159 Q N 0.190 120.062 119.800 0.120 0.000 2.212 159 Q HA -0.116 4.236 4.340 0.019 0.000 0.199 159 Q C 1.253 177.314 176.000 0.103 0.000 0.950 159 Q CA 1.199 57.058 55.803 0.092 0.000 0.863 159 Q CB 0.031 28.816 28.738 0.080 0.000 0.944 159 Q HN 0.603 nan 8.270 nan 0.000 0.465 160 D N -0.032 120.439 120.400 0.120 0.000 2.380 160 D HA 0.083 4.734 4.640 0.019 0.000 0.212 160 D C 0.445 176.789 176.300 0.073 0.000 1.021 160 D CA -0.070 53.985 54.000 0.090 0.000 0.884 160 D CB 0.523 41.373 40.800 0.085 0.000 1.001 160 D HN 0.196 nan 8.370 nan 0.000 0.506 161 I N 1.540 122.161 120.570 0.084 0.000 2.882 161 I HA -0.061 4.121 4.170 0.019 0.000 0.286 161 I C 0.536 176.692 176.117 0.064 0.000 1.139 161 I CA -0.236 61.104 61.300 0.067 0.000 1.379 161 I CB 0.710 38.745 38.000 0.058 0.000 1.410 161 I HN -0.194 nan 8.210 nan 0.000 0.594 162 D N 7.734 128.162 120.400 0.048 0.000 2.472 162 D HA -0.004 4.647 4.640 0.019 0.000 0.248 162 D C -1.509 174.822 176.300 0.052 0.000 1.174 162 D CA -1.049 52.979 54.000 0.046 0.000 0.883 162 D CB 1.186 42.008 40.800 0.037 0.000 1.149 162 D HN 0.335 nan 8.370 nan 0.000 0.488 163 P HA -0.217 nan 4.420 nan 0.000 0.218 163 P C 0.971 178.326 177.300 0.092 0.000 1.146 163 P CA 1.173 64.344 63.100 0.118 0.000 0.820 163 P CB 0.546 32.306 31.700 0.099 0.000 0.778 164 E N 0.939 121.164 120.200 0.042 0.000 2.014 164 E HA -0.111 4.251 4.350 0.019 0.000 0.190 164 E C 1.323 177.899 176.600 -0.039 0.000 0.980 164 E CA 0.877 57.287 56.400 0.016 0.000 0.807 164 E CB -0.916 28.798 29.700 0.023 0.000 0.770 164 E HN 0.201 nan 8.360 nan 0.000 0.451 165 Q N 0.279 120.056 119.800 -0.038 0.000 2.892 165 Q HA 0.098 4.449 4.340 0.019 0.000 0.237 165 Q C 0.359 176.278 176.000 -0.135 0.000 1.157 165 Q CA 0.171 55.938 55.803 -0.061 0.000 0.939 165 Q CB -0.019 28.707 28.738 -0.020 0.000 1.715 165 Q HN 0.313 nan 8.270 nan 0.000 0.451 166 L N -1.094 119.976 121.223 -0.255 0.000 4.194 166 L HA -0.015 4.336 4.340 0.019 0.000 0.409 166 L C 1.319 177.866 176.870 -0.539 0.000 1.084 166 L CA 0.267 54.839 54.840 -0.447 0.000 1.510 166 L CB 0.495 42.122 42.059 -0.720 0.000 1.780 166 L HN 0.345 nan 8.230 nan 0.000 0.634 167 Q N 0.422 119.998 119.800 -0.373 0.000 2.181 167 Q HA -0.215 4.137 4.340 0.019 0.000 0.205 167 Q C 0.981 176.936 176.000 -0.076 0.000 0.980 167 Q CA 1.825 57.532 55.803 -0.160 0.000 0.862 167 Q CB 0.024 28.755 28.738 -0.013 0.000 0.905 167 Q HN 0.532 nan 8.270 nan 0.000 0.429 168 D N 1.322 121.673 120.400 -0.082 0.000 2.116 168 D HA -0.161 4.491 4.640 0.019 0.000 0.193 168 D C 1.009 177.289 176.300 -0.033 0.000 0.998 168 D CA 1.387 55.363 54.000 -0.039 0.000 0.836 168 D CB -0.026 40.752 40.800 -0.038 0.000 0.951 168 D HN 0.315 nan 8.370 nan 0.000 0.449 169 K N 0.756 121.118 120.400 -0.065 0.000 2.397 169 K HA 0.098 4.430 4.320 0.019 0.000 0.202 169 K C 1.758 178.351 176.600 -0.012 0.000 1.022 169 K CA -0.038 56.225 56.287 -0.039 0.000 1.141 169 K CB 0.548 33.015 32.500 -0.055 0.000 0.857 169 K HN -0.012 nan 8.250 nan 0.000 0.514 170 S N 0.797 116.497 115.700 -0.000 0.000 2.440 170 S HA -0.261 4.220 4.470 0.019 0.000 0.240 170 S C 1.765 176.449 174.600 0.139 0.000 1.014 170 S CA 1.684 59.970 58.200 0.143 0.000 0.980 170 S CB -0.319 63.034 63.200 0.255 0.000 0.775 170 S HN 0.329 nan 8.310 nan 0.000 0.499 171 N N 1.355 120.102 118.700 0.080 0.000 2.142 171 N HA -0.035 4.716 4.740 0.019 0.000 0.186 171 N C 1.776 177.319 175.510 0.055 0.000 1.023 171 N CA 1.487 54.576 53.050 0.064 0.000 0.852 171 N CB -0.232 38.280 38.487 0.041 0.000 0.998 171 N HN 0.435 nan 8.380 nan 0.000 0.424 172 E N -0.165 120.059 120.200 0.040 0.000 2.033 172 E HA 0.016 4.377 4.350 0.019 0.000 0.189 172 E C 1.815 178.439 176.600 0.041 0.000 0.979 172 E CA 0.577 56.993 56.400 0.027 0.000 0.802 172 E CB -0.210 29.492 29.700 0.004 0.000 0.763 172 E HN 0.248 nan 8.360 nan 0.000 0.449 173 I N 0.714 121.319 120.570 0.059 0.000 2.113 173 I HA -0.308 3.874 4.170 0.019 0.000 0.242 173 I C 2.306 178.476 176.117 0.088 0.000 1.064 173 I CA 1.361 62.714 61.300 0.088 0.000 1.320 173 I CB -0.578 37.525 38.000 0.173 0.000 1.028 173 I HN 0.144 nan 8.210 nan 0.000 0.406 174 L N -0.135 121.151 121.223 0.106 0.000 2.127 174 L HA -0.244 4.107 4.340 0.019 0.000 0.211 174 L C 2.509 179.412 176.870 0.055 0.000 1.089 174 L CA 1.985 56.870 54.840 0.074 0.000 0.757 174 L CB -0.799 41.310 42.059 0.084 0.000 0.899 174 L HN 0.476 nan 8.230 nan 0.000 0.434 175 T N -2.823 111.768 114.554 0.062 0.000 2.915 175 T HA -0.065 4.297 4.350 0.019 0.000 0.269 175 T C 1.757 176.487 174.700 0.050 0.000 1.071 175 T CA 0.866 63.008 62.100 0.069 0.000 1.132 175 T CB -0.207 68.693 68.868 0.053 0.000 0.878 175 T HN 0.370 nan 8.240 nan 0.000 0.479 176 A N 1.173 124.013 122.820 0.032 0.000 1.975 176 A HA 0.258 4.590 4.320 0.019 0.000 0.215 176 A C 2.237 179.826 177.584 0.008 0.000 1.170 176 A CA 0.312 52.360 52.037 0.018 0.000 0.656 176 A CB -0.351 18.655 19.000 0.011 0.000 0.821 176 A HN 0.388 nan 8.150 nan 0.000 0.449 177 I N 1.086 121.659 120.570 0.006 0.000 2.193 177 I HA -0.196 3.986 4.170 0.019 0.000 0.240 177 I C 2.521 178.614 176.117 -0.040 0.000 1.084 177 I CA 1.518 62.808 61.300 -0.017 0.000 1.365 177 I CB -1.189 36.800 38.000 -0.017 0.000 1.064 177 I HN 0.551 nan 8.210 nan 0.000 0.410 178 I N -0.788 119.750 120.570 -0.053 0.000 2.756 178 I HA -0.224 3.958 4.170 0.019 0.000 0.262 178 I C 2.376 178.463 176.117 -0.049 0.000 1.225 178 I CA 1.175 62.405 61.300 -0.116 0.000 1.472 178 I CB -0.561 37.298 38.000 -0.235 0.000 1.094 178 I HN 0.195 nan 8.210 nan 0.000 0.454 179 Q N 2.390 122.195 119.800 0.008 0.000 2.083 179 Q HA -0.013 4.338 4.340 0.019 0.000 0.198 179 Q C 2.225 178.225 176.000 0.000 0.000 0.969 179 Q CA 2.123 57.943 55.803 0.028 0.000 0.838 179 Q CB -0.622 28.136 28.738 0.033 0.000 0.900 179 Q HN 0.529 nan 8.270 nan 0.000 0.436 180 G N -0.137 108.655 108.800 -0.014 0.000 2.471 180 G HA2 -0.168 3.803 3.960 0.019 0.000 0.219 180 G HA3 -0.168 3.803 3.960 0.019 0.000 0.219 180 G C 1.198 176.077 174.900 -0.034 0.000 1.125 180 G CA 0.619 45.706 45.100 -0.023 0.000 0.775 180 G HN 0.365 nan 8.290 nan 0.000 0.548 181 M N 0.625 120.195 119.600 -0.049 0.000 2.495 181 M HA 0.162 4.654 4.480 0.019 0.000 0.237 181 M C 0.965 177.228 176.300 -0.063 0.000 1.131 181 M CA -0.155 55.105 55.300 -0.066 0.000 1.032 181 M CB 0.312 32.853 32.600 -0.098 0.000 1.513 181 M HN 0.176 nan 8.290 nan 0.000 0.488 182 R N 0.919 121.395 120.500 -0.039 0.000 2.389 182 R HA 0.144 4.496 4.340 0.019 0.000 0.295 182 R C 0.726 177.014 176.300 -0.020 0.000 1.075 182 R CA -0.150 55.937 56.100 -0.022 0.000 1.005 182 R CB 0.665 30.973 30.300 0.013 0.000 0.987 182 R HN 0.075 nan 8.270 nan 0.000 0.452 183 K N 2.163 122.551 120.400 -0.020 0.000 2.189 183 K HA -0.237 4.094 4.320 0.019 0.000 0.207 183 K C 0.384 176.976 176.600 -0.014 0.000 1.046 183 K CA 2.250 58.526 56.287 -0.019 0.000 0.928 183 K CB 0.165 32.656 32.500 -0.014 0.000 0.720 183 K HN 0.698 nan 8.250 nan 0.000 0.458 184 E N 0.771 120.966 120.200 -0.007 0.000 2.512 184 E HA -0.048 4.314 4.350 0.019 0.000 0.195 184 E C -0.377 176.216 176.600 -0.010 0.000 1.083 184 E CA 0.200 56.596 56.400 -0.006 0.000 0.873 184 E CB 0.229 29.929 29.700 -0.001 0.000 0.897 184 E HN 0.242 nan 8.360 nan 0.000 0.514 185 E N 0.725 120.916 120.200 -0.014 0.000 2.223 185 E HA 0.092 4.454 4.350 0.019 0.000 0.282 185 E C -1.865 174.722 176.600 -0.022 0.000 1.046 185 E CA -2.046 54.343 56.400 -0.018 0.000 0.857 185 E CB 1.020 30.707 29.700 -0.021 0.000 1.055 185 E HN -0.165 nan 8.360 nan 0.000 0.409 186 P HA -0.031 nan 4.420 nan 0.000 0.219 186 P C -0.321 176.961 177.300 -0.030 0.000 1.150 186 P CA 0.616 63.701 63.100 -0.026 0.000 0.814 186 P CB 0.368 32.051 31.700 -0.027 0.000 0.787 187 S N -0.566 115.113 115.700 -0.036 0.000 2.489 187 S HA 0.236 4.718 4.470 0.019 0.000 0.291 187 S C 1.097 175.675 174.600 -0.036 0.000 1.151 187 S CA -0.707 57.468 58.200 -0.041 0.000 1.082 187 S CB 0.178 63.345 63.200 -0.054 0.000 1.019 187 S HN -0.107 nan 8.310 nan 0.000 0.492 188 N N 4.013 122.693 118.700 -0.033 0.000 2.376 188 N HA -0.021 4.730 4.740 0.019 0.000 0.177 188 N C 1.039 176.530 175.510 -0.032 0.000 1.024 188 N CA 0.467 53.498 53.050 -0.031 0.000 0.893 188 N CB -0.316 38.155 38.487 -0.027 0.000 0.980 188 N HN 0.593 nan 8.380 nan 0.000 0.439 189 N N 1.094 119.774 118.700 -0.033 0.000 2.120 189 N HA -0.080 4.672 4.740 0.019 0.000 0.188 189 N C 1.903 177.395 175.510 -0.030 0.000 1.024 189 N CA 0.669 53.701 53.050 -0.030 0.000 0.852 189 N CB -0.334 38.138 38.487 -0.025 0.000 1.003 189 N HN 0.015 nan 8.380 nan 0.000 0.424 190 V N 1.833 121.727 119.914 -0.033 0.000 2.261 190 V HA -0.218 3.914 4.120 0.019 0.000 0.246 190 V C 2.267 178.340 176.094 -0.034 0.000 1.047 190 V CA 1.541 63.822 62.300 -0.030 0.000 1.015 190 V CB -0.441 31.363 31.823 -0.032 0.000 0.642 190 V HN 0.267 nan 8.190 nan 0.000 0.446 191 K N -0.297 120.082 120.400 -0.036 0.000 2.034 191 K HA -0.267 4.064 4.320 0.019 0.000 0.214 191 K C 2.128 178.701 176.600 -0.044 0.000 1.051 191 K CA 2.065 58.328 56.287 -0.040 0.000 0.931 191 K CB -0.559 31.918 32.500 -0.039 0.000 0.715 191 K HN 0.325 nan 8.250 nan 0.000 0.446 192 L N 0.851 122.048 121.223 -0.042 0.000 2.042 192 L HA -0.169 4.183 4.340 0.019 0.000 0.210 192 L C 2.186 179.023 176.870 -0.055 0.000 1.076 192 L CA 1.967 56.779 54.840 -0.046 0.000 0.749 192 L CB -0.594 41.440 42.059 -0.041 0.000 0.893 192 L HN 0.161 nan 8.230 nan 0.000 0.432 193 A N -0.337 122.451 122.820 -0.052 0.000 1.908 193 A HA -0.133 4.198 4.320 0.019 0.000 0.218 193 A C 2.454 179.999 177.584 -0.066 0.000 1.181 193 A CA 2.048 54.047 52.037 -0.063 0.000 0.627 193 A CB -1.236 17.735 19.000 -0.047 0.000 0.818 193 A HN 0.621 nan 8.150 nan 0.000 0.445 194 A N -1.099 121.689 122.820 -0.054 0.000 1.872 194 A HA -0.033 4.298 4.320 0.019 0.000 0.214 194 A C 2.293 179.839 177.584 -0.062 0.000 1.187 194 A CA 2.157 54.163 52.037 -0.053 0.000 0.614 194 A CB -1.287 17.686 19.000 -0.046 0.000 0.826 194 A HN 0.434 nan 8.150 nan 0.000 0.442 195 T N 0.799 115.315 114.554 -0.063 0.000 2.759 195 T HA -0.135 4.227 4.350 0.019 0.000 0.269 195 T C 1.759 176.417 174.700 -0.070 0.000 1.042 195 T CA 1.492 63.552 62.100 -0.067 0.000 1.140 195 T CB -0.372 68.459 68.868 -0.061 0.000 0.864 195 T HN 0.431 nan 8.240 nan 0.000 0.455 196 N N 0.994 119.650 118.700 -0.074 0.000 2.331 196 N HA 0.118 4.870 4.740 0.019 0.000 0.180 196 N C 2.013 177.466 175.510 -0.095 0.000 1.019 196 N CA 0.942 53.941 53.050 -0.085 0.000 0.881 196 N CB -0.322 38.107 38.487 -0.097 0.000 0.972 196 N HN 0.441 nan 8.380 nan 0.000 0.435 197 A N 0.472 123.239 122.820 -0.088 0.000 1.968 197 A HA -0.035 4.297 4.320 0.019 0.000 0.217 197 A C 2.190 179.731 177.584 -0.070 0.000 1.169 197 A CA 0.686 52.676 52.037 -0.078 0.000 0.638 197 A CB -0.407 18.558 19.000 -0.059 0.000 0.812 197 A HN 0.249 nan 8.150 nan 0.000 0.446 198 L N -1.005 120.173 121.223 -0.074 0.000 2.179 198 L HA 0.015 4.367 4.340 0.019 0.000 0.208 198 L C 2.120 178.929 176.870 -0.102 0.000 1.096 198 L CA 1.270 56.062 54.840 -0.080 0.000 0.779 198 L CB -0.352 41.663 42.059 -0.073 0.000 0.922 198 L HN 0.300 nan 8.230 nan 0.000 0.443 199 L N 0.245 121.412 121.223 -0.094 0.000 2.079 199 L HA -0.208 4.143 4.340 0.019 0.000 0.210 199 L C 1.860 178.655 176.870 -0.124 0.000 1.081 199 L CA 1.813 56.593 54.840 -0.100 0.000 0.752 199 L CB -0.902 41.106 42.059 -0.085 0.000 0.896 199 L HN 0.429 nan 8.230 nan 0.000 0.433 200 N N -1.351 117.277 118.700 -0.119 0.000 2.336 200 N HA 0.011 4.763 4.740 0.019 0.000 0.189 200 N C 1.558 176.951 175.510 -0.195 0.000 1.113 200 N CA 0.892 53.871 53.050 -0.118 0.000 0.858 200 N CB 0.194 38.641 38.487 -0.066 0.000 0.970 200 N HN 0.558 nan 8.380 nan 0.000 0.471 201 S N -0.441 115.092 115.700 -0.279 0.000 2.505 201 S HA 0.187 4.669 4.470 0.019 0.000 0.216 201 S C 1.753 175.868 174.600 -0.808 0.000 1.018 201 S CA -0.274 57.560 58.200 -0.609 0.000 0.911 201 S CB -0.196 62.828 63.200 -0.293 0.000 0.818 201 S HN 0.059 nan 8.310 nan 0.000 0.497 202 L N 1.641 122.619 121.223 -0.408 0.000 2.349 202 L HA 0.010 4.362 4.340 0.019 0.000 0.220 202 L C 2.439 179.105 176.870 -0.340 0.000 1.130 202 L CA 0.977 55.646 54.840 -0.285 0.000 0.791 202 L CB -0.479 41.478 42.059 -0.170 0.000 0.918 202 L HN 0.290 nan 8.230 nan 0.000 0.444 203 E N 0.179 120.119 120.200 -0.434 0.000 2.463 203 E HA -0.168 4.193 4.350 0.019 0.000 0.201 203 E C 0.840 177.381 176.600 -0.098 0.000 1.045 203 E CA 0.957 57.197 56.400 -0.266 0.000 0.872 203 E CB 0.111 29.710 29.700 -0.169 0.000 0.797 203 E HN 0.679 nan 8.360 nan 0.000 0.538 204 F N -2.545 117.423 119.950 0.031 0.000 2.936 204 F HA 0.239 4.779 4.527 0.021 0.000 0.334 204 F C 1.083 176.943 175.800 0.102 0.000 1.170 204 F CA -0.275 57.760 58.000 0.057 0.000 1.104 204 F CB -0.621 38.403 39.000 0.041 0.000 1.216 204 F HN -0.209 nan 8.300 nan 0.000 0.518 205 T N -2.881 111.790 114.554 0.195 0.000 3.324 205 T HA 0.158 4.519 4.350 0.019 0.000 0.250 205 T C 1.155 176.041 174.700 0.311 0.000 1.059 205 T CA -0.060 62.206 62.100 0.277 0.000 0.951 205 T CB -0.315 68.703 68.868 0.249 0.000 1.030 205 T HN 0.347 nan 8.240 nan 0.000 0.576 206 K N 1.210 121.796 120.400 0.310 0.000 2.103 206 K HA -0.011 4.321 4.320 0.019 0.000 0.207 206 K C 2.575 179.320 176.600 0.242 0.000 1.048 206 K CA 1.384 57.867 56.287 0.326 0.000 0.930 206 K CB -0.340 32.326 32.500 0.276 0.000 0.716 206 K HN 0.506 nan 8.250 nan 0.000 0.444 207 A N 1.629 124.569 122.820 0.200 0.000 1.968 207 A HA -0.101 4.231 4.320 0.019 0.000 0.217 207 A C 1.760 179.414 177.584 0.117 0.000 1.169 207 A CA 1.110 53.235 52.037 0.147 0.000 0.638 207 A CB -0.244 18.830 19.000 0.123 0.000 0.812 207 A HN 0.232 nan 8.150 nan 0.000 0.446 208 N N -0.971 117.807 118.700 0.131 0.000 2.216 208 N HA -0.062 4.689 4.740 0.019 0.000 0.183 208 N C 1.313 176.787 175.510 -0.060 0.000 1.017 208 N CA 1.162 54.245 53.050 0.055 0.000 0.861 208 N CB -0.347 38.187 38.487 0.078 0.000 0.986 208 N HN 0.455 nan 8.380 nan 0.000 0.428 209 F N 1.933 121.727 119.950 -0.261 0.000 2.293 209 F HA -0.052 4.486 4.527 0.018 0.000 0.300 209 F C 1.550 177.104 175.800 -0.411 0.000 1.086 209 F CA 0.795 58.478 58.000 -0.528 0.000 1.375 209 F CB -0.155 38.194 39.000 -1.087 0.000 1.045 209 F HN -0.104 nan 8.300 nan 0.000 0.516 210 D N 0.262 120.680 120.400 0.030 0.000 2.392 210 D HA -0.065 4.587 4.640 0.019 0.000 0.228 210 D C 0.119 176.465 176.300 0.078 0.000 1.003 210 D CA 0.800 54.887 54.000 0.145 0.000 0.917 210 D CB -0.302 40.612 40.800 0.189 0.000 0.890 210 D HN 0.211 nan 8.370 nan 0.000 0.532 211 K N 0.336 120.723 120.400 -0.020 0.000 2.425 211 K HA 0.152 4.484 4.320 0.019 0.000 0.259 211 K C 0.790 177.361 176.600 -0.048 0.000 0.978 211 K CA -0.357 55.922 56.287 -0.013 0.000 0.883 211 K CB 2.412 34.903 32.500 -0.014 0.000 1.110 211 K HN -0.147 nan 8.250 nan 0.000 0.436 212 E N 1.977 122.181 120.200 0.006 0.000 2.035 212 E HA -0.319 4.043 4.350 0.019 0.000 0.204 212 E C 1.698 178.321 176.600 0.038 0.000 1.025 212 E CA 2.250 58.665 56.400 0.024 0.000 0.835 212 E CB 0.069 29.789 29.700 0.033 0.000 0.764 212 E HN 0.572 nan 8.360 nan 0.000 0.457 213 S N -0.049 115.669 115.700 0.031 0.000 2.393 213 S HA -0.317 4.165 4.470 0.019 0.000 0.235 213 S C 1.835 176.477 174.600 0.070 0.000 1.061 213 S CA 2.152 60.386 58.200 0.057 0.000 1.129 213 S CB -0.393 62.814 63.200 0.012 0.000 1.011 213 S HN 0.400 nan 8.310 nan 0.000 0.436 214 E N 0.319 120.518 120.200 -0.002 0.000 2.028 214 E HA -0.119 4.243 4.350 0.019 0.000 0.190 214 E C 2.514 179.016 176.600 -0.164 0.000 0.984 214 E CA 0.736 57.126 56.400 -0.017 0.000 0.800 214 E CB -0.328 29.337 29.700 -0.058 0.000 0.758 214 E HN 0.430 nan 8.360 nan 0.000 0.448 215 R N 0.793 121.079 120.500 -0.356 0.000 2.134 215 R HA -0.294 4.058 4.340 0.019 0.000 0.248 215 R C 2.410 178.474 176.300 -0.393 0.000 1.143 215 R CA 2.335 58.014 56.100 -0.701 0.000 0.957 215 R CB -0.540 29.387 30.300 -0.621 0.000 0.867 215 R HN 0.294 nan 8.270 nan 0.000 0.441 216 H N -0.520 118.473 119.070 -0.128 0.000 2.387 216 H HA -0.169 4.398 4.556 0.019 0.000 0.299 216 H C 1.687 177.034 175.328 0.032 0.000 1.090 216 H CA 2.031 58.115 56.048 0.059 0.000 1.332 216 H CB -0.507 29.336 29.762 0.136 0.000 1.386 216 H HN 0.325 nan 8.280 nan 0.000 0.516 217 F N 0.709 120.407 119.950 -0.419 0.000 2.259 217 F HA -0.042 4.497 4.527 0.020 0.000 0.298 217 F C 1.766 177.365 175.800 -0.335 0.000 1.088 217 F CA 0.798 58.551 58.000 -0.412 0.000 1.358 217 F CB -0.287 38.568 39.000 -0.241 0.000 1.040 217 F HN 0.183 nan 8.300 nan 0.000 0.505 218 I N -0.046 120.222 120.570 -0.504 0.000 2.233 218 I HA -0.239 3.943 4.170 0.019 0.000 0.243 218 I C 2.327 178.171 176.117 -0.454 0.000 1.093 218 I CA 0.963 61.914 61.300 -0.582 0.000 1.380 218 I CB -1.264 36.399 38.000 -0.561 0.000 1.067 218 I HN 0.174 nan 8.210 nan 0.000 0.413 219 M N 0.222 119.552 119.600 -0.450 0.000 2.149 219 M HA -0.230 4.262 4.480 0.019 0.000 0.261 219 M C 2.238 178.363 176.300 -0.293 0.000 1.064 219 M CA 1.592 56.642 55.300 -0.418 0.000 1.102 219 M CB -1.209 30.943 32.600 -0.747 0.000 1.369 219 M HN 0.372 nan 8.290 nan 0.000 0.408 220 Q N -0.127 119.505 119.800 -0.281 0.000 2.046 220 Q HA -0.115 4.237 4.340 0.019 0.000 0.200 220 Q C 2.026 177.912 176.000 -0.190 0.000 0.975 220 Q CA 1.421 57.115 55.803 -0.182 0.000 0.836 220 Q CB 0.151 28.787 28.738 -0.171 0.000 0.896 220 Q HN 0.304 nan 8.270 nan 0.000 0.428 221 V N 0.296 120.032 119.914 -0.296 0.000 2.469 221 V HA -0.232 3.899 4.120 0.019 0.000 0.251 221 V C 2.237 178.209 176.094 -0.203 0.000 1.064 221 V CA 1.261 63.396 62.300 -0.275 0.000 1.066 221 V CB -0.275 31.274 31.823 -0.457 0.000 0.667 221 V HN 0.236 nan 8.190 nan 0.000 0.461 222 V N -1.289 118.503 119.914 -0.205 0.000 2.255 222 V HA -0.247 3.885 4.120 0.019 0.000 0.243 222 V C 2.493 178.524 176.094 -0.104 0.000 1.038 222 V CA 2.227 64.442 62.300 -0.141 0.000 1.008 222 V CB -0.591 31.156 31.823 -0.127 0.000 0.645 222 V HN 0.620 nan 8.190 nan 0.000 0.449 223 C N -0.279 118.959 119.300 -0.103 0.000 2.411 223 C HA -0.178 4.293 4.460 0.019 0.000 0.279 223 C C 2.709 177.663 174.990 -0.059 0.000 1.288 223 C CA 1.320 60.295 59.018 -0.071 0.000 1.764 223 C CB -0.991 26.715 27.740 -0.056 0.000 1.974 223 C HN 0.638 nan 8.230 nan 0.000 0.498 224 E N 0.372 120.532 120.200 -0.066 0.000 2.150 224 E HA -0.087 4.274 4.350 0.019 0.000 0.193 224 E C 2.102 178.671 176.600 -0.051 0.000 0.985 224 E CA 0.965 57.334 56.400 -0.051 0.000 0.814 224 E CB -0.082 29.587 29.700 -0.052 0.000 0.752 224 E HN 0.648 nan 8.360 nan 0.000 0.466 225 A N 0.245 123.027 122.820 -0.063 0.000 2.206 225 A HA -0.058 4.274 4.320 0.019 0.000 0.211 225 A C 2.035 179.590 177.584 -0.048 0.000 1.158 225 A CA 1.226 53.229 52.037 -0.057 0.000 0.761 225 A CB -0.440 18.519 19.000 -0.067 0.000 0.801 225 A HN 0.339 nan 8.150 nan 0.000 0.473 226 T N -3.471 111.054 114.554 -0.048 0.000 3.129 226 T HA 0.079 4.440 4.350 0.019 0.000 0.251 226 T C 0.963 175.640 174.700 -0.038 0.000 1.117 226 T CA 0.469 62.543 62.100 -0.044 0.000 1.034 226 T CB 0.038 68.876 68.868 -0.051 0.000 0.968 226 T HN 0.341 nan 8.240 nan 0.000 0.526 227 Q N -0.028 119.751 119.800 -0.035 0.000 2.171 227 Q HA 0.282 4.634 4.340 0.019 0.000 0.218 227 Q C 0.539 176.524 176.000 -0.026 0.000 0.822 227 Q CA -0.255 55.531 55.803 -0.028 0.000 0.987 227 Q CB 0.065 28.788 28.738 -0.025 0.000 1.144 227 Q HN 0.600 nan 8.270 nan 0.000 0.494 228 C N 4.366 123.649 119.300 -0.028 0.000 2.653 228 C HA 0.165 4.637 4.460 0.019 0.000 0.421 228 C C -1.021 173.956 174.990 -0.023 0.000 1.334 228 C CA -1.032 57.970 59.018 -0.026 0.000 1.885 228 C CB 0.272 27.994 27.740 -0.030 0.000 2.645 228 C HN 0.256 nan 8.230 nan 0.000 0.601 229 P HA 0.085 nan 4.420 nan 0.000 0.269 229 P C -0.458 176.832 177.300 -0.017 0.000 1.461 229 P CA 0.896 63.986 63.100 -0.017 0.000 0.809 229 P CB -0.203 31.488 31.700 -0.015 0.000 1.503 230 D N -0.232 120.156 120.400 -0.019 0.000 2.389 230 D HA 0.094 4.745 4.640 0.019 0.000 0.256 230 D C 0.819 177.108 176.300 -0.019 0.000 1.239 230 D CA -0.252 53.737 54.000 -0.019 0.000 0.925 230 D CB 1.125 41.913 40.800 -0.021 0.000 1.145 230 D HN -0.234 nan 8.370 nan 0.000 0.542 231 T N 2.476 117.020 114.554 -0.016 0.000 2.684 231 T HA -0.257 4.105 4.350 0.019 0.000 0.267 231 T C 1.885 176.576 174.700 -0.016 0.000 1.032 231 T CA 1.339 63.430 62.100 -0.015 0.000 1.155 231 T CB 0.053 68.914 68.868 -0.012 0.000 0.857 231 T HN 0.442 nan 8.240 nan 0.000 0.457 232 R N 0.083 120.573 120.500 -0.017 0.000 2.091 232 R HA -0.083 4.268 4.340 0.019 0.000 0.238 232 R C 2.508 178.794 176.300 -0.024 0.000 1.136 232 R CA 1.386 57.474 56.100 -0.019 0.000 0.959 232 R CB -0.596 29.691 30.300 -0.021 0.000 0.856 232 R HN 0.328 nan 8.270 nan 0.000 0.437 233 V N 0.466 120.364 119.914 -0.027 0.000 2.407 233 V HA -0.160 3.971 4.120 0.019 0.000 0.245 233 V C 2.389 178.464 176.094 -0.031 0.000 1.041 233 V CA 1.270 63.551 62.300 -0.032 0.000 1.040 233 V CB -0.560 31.243 31.823 -0.034 0.000 0.671 233 V HN 0.256 nan 8.190 nan 0.000 0.455 234 R N 0.193 120.677 120.500 -0.027 0.000 2.113 234 R HA -0.179 4.172 4.340 0.019 0.000 0.244 234 R C 2.234 178.521 176.300 -0.022 0.000 1.142 234 R CA 1.898 57.983 56.100 -0.026 0.000 0.953 234 R CB -0.662 29.624 30.300 -0.023 0.000 0.860 234 R HN 0.478 nan 8.270 nan 0.000 0.438 235 V N 0.436 120.340 119.914 -0.016 0.000 2.323 235 V HA -0.180 3.952 4.120 0.019 0.000 0.244 235 V C 2.541 178.628 176.094 -0.013 0.000 1.041 235 V CA 1.687 63.982 62.300 -0.008 0.000 1.025 235 V CB -0.872 30.949 31.823 -0.003 0.000 0.656 235 V HN 0.374 nan 8.190 nan 0.000 0.451 236 A N 0.337 123.144 122.820 -0.022 0.000 1.917 236 A HA -0.203 4.129 4.320 0.019 0.000 0.219 236 A C 2.387 179.951 177.584 -0.033 0.000 1.182 236 A CA 2.447 54.465 52.037 -0.031 0.000 0.633 236 A CB -0.820 18.155 19.000 -0.040 0.000 0.819 236 A HN 0.596 nan 8.150 nan 0.000 0.448 237 A N -0.906 121.894 122.820 -0.034 0.000 1.968 237 A HA 0.123 4.454 4.320 0.019 0.000 0.217 237 A C 2.109 179.680 177.584 -0.022 0.000 1.169 237 A CA 1.226 53.240 52.037 -0.038 0.000 0.638 237 A CB -0.444 18.527 19.000 -0.047 0.000 0.812 237 A HN 0.460 nan 8.150 nan 0.000 0.446 238 L N -0.919 120.298 121.223 -0.011 0.000 2.217 238 L HA -0.172 4.179 4.340 0.019 0.000 0.211 238 L C 2.755 179.648 176.870 0.038 0.000 1.107 238 L CA 0.939 55.787 54.840 0.014 0.000 0.783 238 L CB -0.305 41.760 42.059 0.009 0.000 0.919 238 L HN 0.484 nan 8.230 nan 0.000 0.442 239 Q N -0.266 119.540 119.800 0.009 0.000 2.119 239 Q HA -0.190 4.162 4.340 0.019 0.000 0.201 239 Q C 1.837 177.826 176.000 -0.019 0.000 0.972 239 Q CA 1.596 57.397 55.803 -0.003 0.000 0.847 239 Q CB -0.043 28.683 28.738 -0.020 0.000 0.903 239 Q HN 0.572 nan 8.270 nan 0.000 0.433 240 N N 0.265 118.952 118.700 -0.022 0.000 2.084 240 N HA -0.129 4.622 4.740 0.019 0.000 0.190 240 N C 1.648 177.152 175.510 -0.011 0.000 1.030 240 N CA 0.922 53.953 53.050 -0.030 0.000 0.849 240 N CB -0.060 38.407 38.487 -0.033 0.000 1.012 240 N HN 0.119 nan 8.380 nan 0.000 0.423 241 L N 0.232 121.476 121.223 0.035 0.000 2.127 241 L HA -0.163 4.189 4.340 0.019 0.000 0.211 241 L C 1.937 178.824 176.870 0.029 0.000 1.089 241 L CA 0.749 55.655 54.840 0.109 0.000 0.757 241 L CB -0.517 41.686 42.059 0.240 0.000 0.899 241 L HN 0.121 nan 8.230 nan 0.000 0.434 242 V N -0.173 119.733 119.914 -0.013 0.000 2.307 242 V HA -0.279 3.852 4.120 0.019 0.000 0.245 242 V C 2.520 178.494 176.094 -0.199 0.000 1.045 242 V CA 1.847 64.039 62.300 -0.180 0.000 1.024 242 V CB -0.504 31.270 31.823 -0.082 0.000 0.651 242 V HN 0.410 nan 8.190 nan 0.000 0.449 243 K N -0.041 120.279 120.400 -0.133 0.000 2.062 243 K HA -0.051 4.280 4.320 0.019 0.000 0.205 243 K C 2.090 178.585 176.600 -0.176 0.000 1.051 243 K CA 1.327 57.520 56.287 -0.156 0.000 0.941 243 K CB -0.194 32.222 32.500 -0.140 0.000 0.719 243 K HN 0.393 nan 8.250 nan 0.000 0.440 244 I N 0.825 121.330 120.570 -0.110 0.000 2.361 244 I HA -0.259 3.922 4.170 0.019 0.000 0.251 244 I C 2.367 178.463 176.117 -0.035 0.000 1.133 244 I CA 0.833 62.110 61.300 -0.038 0.000 1.413 244 I CB -0.065 37.972 38.000 0.062 0.000 1.073 244 I HN 0.293 nan 8.210 nan 0.000 0.424 245 M N -0.277 119.254 119.600 -0.114 0.000 2.492 245 M HA -0.031 4.461 4.480 0.019 0.000 0.262 245 M C 1.867 178.123 176.300 -0.073 0.000 1.090 245 M CA 1.587 56.814 55.300 -0.122 0.000 1.110 245 M CB -0.138 32.222 32.600 -0.400 0.000 1.407 245 M HN -0.085 nan 8.290 nan 0.000 0.470 246 S N -0.703 114.902 115.700 -0.157 0.000 2.535 246 S HA 0.281 4.762 4.470 0.019 0.000 0.214 246 S C 1.411 175.878 174.600 -0.222 0.000 0.980 246 S CA 0.260 58.359 58.200 -0.168 0.000 0.907 246 S CB 0.089 63.176 63.200 -0.189 0.000 0.790 246 S HN 0.496 nan 8.310 nan 0.000 0.510 247 L N -1.420 119.609 121.223 -0.324 0.000 2.624 247 L HA 0.307 4.659 4.340 0.019 0.000 0.222 247 L C -0.178 176.365 176.870 -0.544 0.000 1.046 247 L CA 0.456 54.957 54.840 -0.564 0.000 0.872 247 L CB 0.163 41.648 42.059 -0.957 0.000 1.190 247 L HN 0.222 nan 8.230 nan 0.000 0.487 248 Y N -1.327 118.963 120.300 -0.017 0.000 2.631 248 Y HA 0.169 4.730 4.550 0.018 0.000 0.361 248 Y C 1.041 177.100 175.900 0.264 0.000 0.941 248 Y CA -1.219 56.987 58.100 0.178 0.000 1.327 248 Y CB -0.510 38.006 38.460 0.093 0.000 1.299 248 Y HN 0.009 nan 8.280 nan 0.000 0.578 249 Y N 0.938 121.331 120.300 0.155 0.000 2.242 249 Y HA -0.222 4.338 4.550 0.018 0.000 0.291 249 Y C 2.004 178.013 175.900 0.181 0.000 1.137 249 Y CA 1.794 59.974 58.100 0.133 0.000 1.181 249 Y CB 0.177 38.654 38.460 0.028 0.000 0.989 249 Y HN 0.326 nan 8.280 nan 0.000 0.527 250 Q N -1.181 118.814 119.800 0.325 0.000 2.376 250 Q HA -0.238 4.113 4.340 0.019 0.000 0.211 250 Q C 1.178 177.140 176.000 -0.063 0.000 0.986 250 Q CA 1.614 57.481 55.803 0.106 0.000 0.886 250 Q CB -0.204 28.506 28.738 -0.047 0.000 0.927 250 Q HN 0.644 nan 8.270 nan 0.000 0.457 251 Y N -1.792 118.631 120.300 0.205 0.000 2.503 251 Y HA 0.073 4.634 4.550 0.018 0.000 0.277 251 Y C 1.833 177.854 175.900 0.203 0.000 1.102 251 Y CA 0.264 58.495 58.100 0.219 0.000 1.261 251 Y CB 0.329 38.968 38.460 0.298 0.000 1.096 251 Y HN 0.073 nan 8.280 nan 0.000 0.546 252 M N 0.286 120.038 119.600 0.253 0.000 2.630 252 M HA -0.111 4.380 4.480 0.019 0.000 0.254 252 M C 1.803 178.193 176.300 0.149 0.000 1.092 252 M CA 0.946 56.379 55.300 0.223 0.000 1.087 252 M CB -0.697 31.901 32.600 -0.003 0.000 1.453 252 M HN 0.412 nan 8.290 nan 0.000 0.509 253 E N 0.123 120.414 120.200 0.150 0.000 2.077 253 E HA -0.167 4.195 4.350 0.019 0.000 0.193 253 E C 1.414 178.038 176.600 0.040 0.000 0.989 253 E CA 1.698 58.192 56.400 0.156 0.000 0.800 253 E CB 0.273 30.073 29.700 0.168 0.000 0.746 253 E HN 0.391 nan 8.360 nan 0.000 0.452 254 T N -0.312 114.210 114.554 -0.054 0.000 2.803 254 T HA -0.168 4.194 4.350 0.019 0.000 0.269 254 T C 1.075 175.564 174.700 -0.351 0.000 1.052 254 T CA 1.512 63.439 62.100 -0.287 0.000 1.136 254 T CB -0.242 68.274 68.868 -0.587 0.000 0.864 254 T HN 0.349 nan 8.240 nan 0.000 0.467 255 Y N -0.434 119.885 120.300 0.031 0.000 2.524 255 Y HA 0.337 4.898 4.550 0.018 0.000 0.270 255 Y C 2.188 178.083 175.900 -0.008 0.000 1.094 255 Y CA -0.371 57.742 58.100 0.022 0.000 1.276 255 Y CB -0.434 38.047 38.460 0.035 0.000 1.130 255 Y HN 0.036 nan 8.280 nan 0.000 0.536 256 M N 1.275 120.925 119.600 0.084 0.000 2.255 256 M HA -0.128 4.363 4.480 0.019 0.000 0.260 256 M C 2.303 178.620 176.300 0.027 0.000 1.069 256 M CA 2.470 57.753 55.300 -0.029 0.000 1.089 256 M CB -1.230 31.191 32.600 -0.298 0.000 1.269 256 M HN 0.239 nan 8.290 nan 0.000 0.434 257 G N 0.332 109.123 108.800 -0.014 0.000 2.545 257 G HA2 -0.201 3.770 3.960 0.019 0.000 0.217 257 G HA3 -0.201 3.770 3.960 0.019 0.000 0.217 257 G C -0.733 174.173 174.900 0.011 0.000 1.218 257 G CA 1.014 46.087 45.100 -0.045 0.000 0.787 257 G HN 0.604 nan 8.290 nan 0.000 0.571 258 P HA 0.130 nan 4.420 nan 0.000 0.228 258 P C 0.774 178.113 177.300 0.064 0.000 1.151 258 P CA 1.930 65.051 63.100 0.036 0.000 0.770 258 P CB 0.353 32.066 31.700 0.022 0.000 0.786 259 A N -0.797 122.074 122.820 0.086 0.000 1.749 259 A HA 0.189 4.521 4.320 0.019 0.000 0.187 259 A C 1.929 179.545 177.584 0.053 0.000 1.742 259 A CA -0.012 52.070 52.037 0.076 0.000 1.133 259 A CB -0.881 18.177 19.000 0.096 0.000 0.996 259 A HN -0.013 nan 8.150 nan 0.000 0.585 260 L N -0.631 120.618 121.223 0.045 0.000 2.089 260 L HA -0.239 4.112 4.340 0.019 0.000 0.213 260 L C 2.439 179.277 176.870 -0.054 0.000 1.079 260 L CA 2.104 56.913 54.840 -0.052 0.000 0.758 260 L CB -0.591 41.445 42.059 -0.037 0.000 0.891 260 L HN 0.516 nan 8.230 nan 0.000 0.433 261 F N 0.629 120.539 119.950 -0.066 0.000 2.095 261 F HA -0.247 4.293 4.527 0.023 0.000 0.298 261 F C 2.485 178.264 175.800 -0.035 0.000 1.104 261 F CA 1.393 59.398 58.000 0.009 0.000 1.232 261 F CB -0.347 38.654 39.000 0.001 0.000 0.987 261 F HN 0.007 nan 8.300 nan 0.000 0.475 262 A N -0.222 122.639 122.820 0.068 0.000 1.930 262 A HA -0.125 4.207 4.320 0.019 0.000 0.217 262 A C 2.091 179.623 177.584 -0.087 0.000 1.175 262 A CA 1.826 53.849 52.037 -0.023 0.000 0.627 262 A CB -0.995 18.020 19.000 0.025 0.000 0.815 262 A HN 0.360 nan 8.150 nan 0.000 0.443 263 I N 0.534 121.046 120.570 -0.097 0.000 2.233 263 I HA -0.187 3.994 4.170 0.019 0.000 0.243 263 I C 2.859 178.866 176.117 -0.183 0.000 1.093 263 I CA 2.055 63.280 61.300 -0.126 0.000 1.380 263 I CB -0.649 37.273 38.000 -0.130 0.000 1.067 263 I HN 0.526 nan 8.210 nan 0.000 0.413 264 T N -0.656 113.725 114.554 -0.287 0.000 2.684 264 T HA -0.162 4.199 4.350 0.019 0.000 0.267 264 T C 1.891 176.522 174.700 -0.116 0.000 1.036 264 T CA 1.574 63.488 62.100 -0.310 0.000 1.148 264 T CB -0.939 67.629 68.868 -0.500 0.000 0.863 264 T HN 0.306 nan 8.240 nan 0.000 0.436 265 I N 1.077 121.554 120.570 -0.155 0.000 2.676 265 I HA 0.023 4.205 4.170 0.019 0.000 0.259 265 I C 2.733 178.786 176.117 -0.107 0.000 1.194 265 I CA 0.983 62.188 61.300 -0.158 0.000 1.473 265 I CB -0.426 37.391 38.000 -0.305 0.000 1.096 265 I HN 0.190 nan 8.210 nan 0.000 0.443 266 E N 1.371 121.512 120.200 -0.099 0.000 2.208 266 E HA -0.112 4.250 4.350 0.019 0.000 0.193 266 E C 2.194 178.763 176.600 -0.051 0.000 0.988 266 E CA 1.238 57.599 56.400 -0.066 0.000 0.828 266 E CB -0.032 29.633 29.700 -0.060 0.000 0.763 266 E HN 0.450 nan 8.360 nan 0.000 0.478 267 A N -0.080 122.709 122.820 -0.052 0.000 1.898 267 A HA -0.083 4.249 4.320 0.019 0.000 0.214 267 A C 2.148 179.718 177.584 -0.024 0.000 1.183 267 A CA 1.276 53.292 52.037 -0.034 0.000 0.622 267 A CB -0.383 18.599 19.000 -0.031 0.000 0.824 267 A HN 0.244 nan 8.150 nan 0.000 0.444 268 M N -0.502 119.087 119.600 -0.019 0.000 2.159 268 M HA -0.120 4.371 4.480 0.019 0.000 0.263 268 M C 1.480 177.759 176.300 -0.035 0.000 1.063 268 M CA 1.424 56.714 55.300 -0.016 0.000 1.110 268 M CB -0.313 32.280 32.600 -0.012 0.000 1.374 268 M HN 0.177 nan 8.290 nan 0.000 0.411 269 K N 0.206 120.582 120.400 -0.040 0.000 2.546 269 K HA 0.111 4.443 4.320 0.019 0.000 0.198 269 K C 0.585 177.167 176.600 -0.030 0.000 1.028 269 K CA -0.277 55.988 56.287 -0.036 0.000 1.150 269 K CB 0.072 32.551 32.500 -0.035 0.000 0.876 269 K HN 0.131 nan 8.250 nan 0.000 0.508 270 S N 1.029 116.710 115.700 -0.030 0.000 2.661 270 S HA 0.015 4.496 4.470 0.019 0.000 0.265 270 S C 0.786 175.369 174.600 -0.027 0.000 1.225 270 S CA -0.496 57.688 58.200 -0.027 0.000 0.986 270 S CB 0.722 63.907 63.200 -0.025 0.000 1.008 270 S HN 0.418 nan 8.310 nan 0.000 0.565 271 D N -0.053 120.333 120.400 -0.024 0.000 2.441 271 D HA 0.096 4.747 4.640 0.019 0.000 0.210 271 D C -0.153 176.133 176.300 -0.024 0.000 1.102 271 D CA 0.019 54.005 54.000 -0.024 0.000 0.840 271 D CB -0.087 40.702 40.800 -0.019 0.000 0.990 271 D HN 0.328 nan 8.370 nan 0.000 0.505 272 I N 2.423 122.980 120.570 -0.022 0.000 2.315 272 I HA 0.095 4.277 4.170 0.019 0.000 0.291 272 I C 0.970 177.074 176.117 -0.022 0.000 1.006 272 I CA -0.407 60.882 61.300 -0.019 0.000 1.265 272 I CB 1.548 39.539 38.000 -0.015 0.000 1.387 272 I HN -0.341 nan 8.210 nan 0.000 0.475 273 D N 3.184 123.570 120.400 -0.024 0.000 2.117 273 D HA -0.186 4.465 4.640 0.019 0.000 0.197 273 D C 1.837 178.128 176.300 -0.015 0.000 0.987 273 D CA 1.222 55.203 54.000 -0.031 0.000 0.829 273 D CB 0.195 40.973 40.800 -0.037 0.000 0.961 273 D HN 0.624 nan 8.370 nan 0.000 0.460 274 E N 0.394 120.593 120.200 -0.001 0.000 2.023 274 E HA -0.145 4.217 4.350 0.019 0.000 0.196 274 E C 2.056 178.665 176.600 0.015 0.000 1.003 274 E CA 0.995 57.404 56.400 0.014 0.000 0.809 274 E CB -0.276 29.431 29.700 0.011 0.000 0.755 274 E HN 0.055 nan 8.360 nan 0.000 0.449 275 V N 0.873 120.789 119.914 0.003 0.000 2.343 275 V HA -0.260 3.872 4.120 0.019 0.000 0.247 275 V C 2.371 178.468 176.094 0.005 0.000 1.051 275 V CA 1.810 64.111 62.300 0.002 0.000 1.036 275 V CB -1.061 30.756 31.823 -0.009 0.000 0.654 275 V HN 0.452 nan 8.190 nan 0.000 0.451 276 A N -0.235 122.582 122.820 -0.005 0.000 1.908 276 A HA -0.180 4.151 4.320 0.019 0.000 0.218 276 A C 2.251 179.839 177.584 0.008 0.000 1.181 276 A CA 1.841 53.872 52.037 -0.010 0.000 0.627 276 A CB -0.586 18.393 19.000 -0.034 0.000 0.818 276 A HN 0.493 nan 8.150 nan 0.000 0.445 277 L N -1.365 119.866 121.223 0.014 0.000 2.079 277 L HA -0.232 4.120 4.340 0.019 0.000 0.210 277 L C 2.835 179.770 176.870 0.109 0.000 1.081 277 L CA 1.652 56.524 54.840 0.053 0.000 0.752 277 L CB -0.264 41.844 42.059 0.082 0.000 0.896 277 L HN 0.420 nan 8.230 nan 0.000 0.433 278 Q N -0.544 119.308 119.800 0.087 0.000 2.245 278 Q HA -0.051 4.300 4.340 0.019 0.000 0.201 278 Q C 2.028 178.100 176.000 0.120 0.000 0.955 278 Q CA 1.362 57.223 55.803 0.097 0.000 0.870 278 Q CB -0.156 28.620 28.738 0.064 0.000 0.945 278 Q HN 0.413 nan 8.270 nan 0.000 0.461 279 G N -0.219 108.638 108.800 0.095 0.000 2.408 279 G HA2 -0.133 3.838 3.960 0.019 0.000 0.215 279 G HA3 -0.133 3.838 3.960 0.019 0.000 0.215 279 G C 1.339 176.370 174.900 0.218 0.000 1.156 279 G CA 0.462 45.630 45.100 0.113 0.000 0.793 279 G HN 0.354 nan 8.290 nan 0.000 0.535 280 I N 0.518 121.192 120.570 0.173 0.000 2.252 280 I HA -0.095 4.086 4.170 0.019 0.000 0.245 280 I C 2.617 178.884 176.117 0.250 0.000 1.102 280 I CA 1.338 62.758 61.300 0.199 0.000 1.385 280 I CB -0.061 37.998 38.000 0.099 0.000 1.064 280 I HN 0.173 nan 8.210 nan 0.000 0.414 281 E N 1.395 121.722 120.200 0.213 0.000 2.077 281 E HA -0.290 4.072 4.350 0.019 0.000 0.193 281 E C 2.051 178.744 176.600 0.155 0.000 0.989 281 E CA 1.531 58.041 56.400 0.184 0.000 0.800 281 E CB -0.515 29.276 29.700 0.153 0.000 0.746 281 E HN 0.408 nan 8.360 nan 0.000 0.452 282 F N -0.645 119.306 119.950 0.002 0.000 2.063 282 F HA -0.258 4.281 4.527 0.020 0.000 0.298 282 F C 1.688 177.377 175.800 -0.185 0.000 1.105 282 F CA 2.285 60.200 58.000 -0.141 0.000 1.215 282 F CB -0.415 38.435 39.000 -0.251 0.000 0.972 282 F HN 0.128 nan 8.300 nan 0.000 0.483 283 W N 0.343 121.869 121.300 0.377 0.000 2.436 283 W HA -0.089 4.599 4.660 0.047 0.000 0.284 283 W C 2.899 179.501 176.519 0.140 0.000 1.225 283 W CA 1.318 58.830 57.345 0.278 0.000 1.271 283 W CB -0.715 28.886 29.460 0.234 0.000 1.114 283 W HN 0.115 nan 8.180 nan 0.000 0.559 284 S N -0.418 115.462 115.700 0.299 0.000 2.453 284 S HA -0.174 4.308 4.470 0.019 0.000 0.231 284 S C 1.511 176.171 174.600 0.100 0.000 1.005 284 S CA 1.334 59.651 58.200 0.194 0.000 0.949 284 S CB -0.592 62.711 63.200 0.170 0.000 0.774 284 S HN 0.343 nan 8.310 nan 0.000 0.510 285 N N 1.577 120.293 118.700 0.027 0.000 2.250 285 N HA 0.002 4.753 4.740 0.019 0.000 0.181 285 N C 1.488 176.954 175.510 -0.074 0.000 1.017 285 N CA 1.188 54.197 53.050 -0.068 0.000 0.866 285 N CB -0.479 37.908 38.487 -0.166 0.000 0.985 285 N HN 0.244 nan 8.380 nan 0.000 0.429 286 V N 0.019 119.890 119.914 -0.073 0.000 2.295 286 V HA -0.276 3.856 4.120 0.019 0.000 0.246 286 V C 2.494 178.665 176.094 0.129 0.000 1.049 286 V CA 1.496 63.815 62.300 0.031 0.000 1.024 286 V CB -0.772 31.101 31.823 0.083 0.000 0.648 286 V HN 0.504 nan 8.190 nan 0.000 0.447 287 C N -0.174 119.233 119.300 0.178 0.000 2.413 287 C HA -0.173 4.299 4.460 0.019 0.000 0.277 287 C C 2.559 177.588 174.990 0.064 0.000 1.265 287 C CA 1.169 60.280 59.018 0.154 0.000 1.752 287 C CB -1.022 26.822 27.740 0.173 0.000 1.998 287 C HN 0.602 nan 8.230 nan 0.000 0.489 288 D N 0.069 120.486 120.400 0.028 0.000 2.123 288 D HA -0.071 4.580 4.640 0.019 0.000 0.200 288 D C 2.301 178.559 176.300 -0.069 0.000 0.976 288 D CA 0.964 54.953 54.000 -0.017 0.000 0.831 288 D CB -0.347 40.435 40.800 -0.030 0.000 0.974 288 D HN 0.446 nan 8.370 nan 0.000 0.469 289 E N 0.639 120.780 120.200 -0.099 0.000 2.152 289 E HA -0.097 4.265 4.350 0.019 0.000 0.192 289 E C 1.564 177.997 176.600 -0.279 0.000 0.983 289 E CA 0.532 56.810 56.400 -0.204 0.000 0.818 289 E CB -0.032 29.529 29.700 -0.232 0.000 0.758 289 E HN 0.482 nan 8.360 nan 0.000 0.467 290 E N -0.511 119.584 120.200 -0.174 0.000 2.502 290 E HA 0.070 4.431 4.350 0.019 0.000 0.194 290 E C 1.732 178.243 176.600 -0.148 0.000 1.062 290 E CA -0.012 56.264 56.400 -0.205 0.000 0.867 290 E CB 0.223 29.876 29.700 -0.078 0.000 0.888 290 E HN 0.183 nan 8.360 nan 0.000 0.510 291 M N 0.096 119.638 119.600 -0.097 0.000 2.398 291 M HA -0.054 4.438 4.480 0.019 0.000 0.261 291 M C 1.065 177.316 176.300 -0.081 0.000 1.125 291 M CA 0.724 55.990 55.300 -0.056 0.000 1.183 291 M CB 0.312 32.900 32.600 -0.019 0.000 1.322 291 M HN -0.077 nan 8.290 nan 0.000 0.467 292 D N 0.910 121.246 120.400 -0.106 0.000 2.389 292 D HA -0.090 4.561 4.640 0.019 0.000 0.221 292 D C 1.725 177.945 176.300 -0.132 0.000 0.974 292 D CA 1.043 54.976 54.000 -0.112 0.000 0.923 292 D CB -0.005 40.715 40.800 -0.133 0.000 0.892 292 D HN 0.360 nan 8.370 nan 0.000 0.518 293 L N -0.313 120.810 121.223 -0.167 0.000 2.357 293 L HA 0.157 4.509 4.340 0.019 0.000 0.211 293 L C 2.283 179.087 176.870 -0.111 0.000 1.075 293 L CA 0.332 55.069 54.840 -0.172 0.000 0.830 293 L CB -0.035 41.856 42.059 -0.279 0.000 0.996 293 L HN -0.117 nan 8.230 nan 0.000 0.467 294 A N -0.054 122.710 122.820 -0.094 0.000 2.119 294 A HA -0.052 4.279 4.320 0.019 0.000 0.217 294 A C 2.127 179.702 177.584 -0.016 0.000 1.153 294 A CA 1.109 53.124 52.037 -0.036 0.000 0.692 294 A CB -0.423 18.573 19.000 -0.005 0.000 0.799 294 A HN 0.351 nan 8.150 nan 0.000 0.458 295 I N -1.442 119.110 120.570 -0.030 0.000 2.494 295 I HA -0.120 4.062 4.170 0.019 0.000 0.250 295 I C 2.451 178.560 176.117 -0.014 0.000 1.112 295 I CA 1.067 62.357 61.300 -0.017 0.000 1.438 295 I CB -0.087 37.899 38.000 -0.022 0.000 1.111 295 I HN 0.440 nan 8.210 nan 0.000 0.431 296 E N 1.194 121.379 120.200 -0.026 0.000 2.051 296 E HA -0.252 4.109 4.350 0.019 0.000 0.192 296 E C 2.220 178.819 176.600 -0.002 0.000 0.991 296 E CA 1.399 57.791 56.400 -0.013 0.000 0.799 296 E CB -0.019 29.671 29.700 -0.016 0.000 0.748 296 E HN 0.476 nan 8.360 nan 0.000 0.449 297 A N 0.173 122.990 122.820 -0.005 0.000 2.019 297 A HA -0.143 4.188 4.320 0.019 0.000 0.219 297 A C 2.215 179.810 177.584 0.019 0.000 1.164 297 A CA 1.694 53.738 52.037 0.011 0.000 0.644 297 A CB -0.478 18.532 19.000 0.017 0.000 0.805 297 A HN 0.294 nan 8.150 nan 0.000 0.449 298 S N -0.910 114.799 115.700 0.016 0.000 2.395 298 S HA -0.081 4.400 4.470 0.019 0.000 0.225 298 S C 1.843 176.452 174.600 0.015 0.000 1.027 298 S CA 1.212 59.424 58.200 0.019 0.000 0.965 298 S CB -0.227 62.984 63.200 0.018 0.000 0.812 298 S HN 0.663 nan 8.310 nan 0.000 0.482 299 E N 0.763 120.969 120.200 0.011 0.000 2.051 299 E HA 0.050 4.411 4.350 0.019 0.000 0.189 299 E C 2.378 178.985 176.600 0.011 0.000 0.979 299 E CA 0.826 57.232 56.400 0.010 0.000 0.803 299 E CB -0.267 29.437 29.700 0.008 0.000 0.761 299 E HN 0.577 nan 8.360 nan 0.000 0.451 300 A N 1.520 124.347 122.820 0.011 0.000 1.972 300 A HA -0.123 4.209 4.320 0.019 0.000 0.219 300 A C 2.342 179.933 177.584 0.012 0.000 1.169 300 A CA 1.645 53.689 52.037 0.011 0.000 0.635 300 A CB -0.505 18.501 19.000 0.011 0.000 0.810 300 A HN 0.282 nan 8.150 nan 0.000 0.446 301 A N -0.250 122.579 122.820 0.015 0.000 1.969 301 A HA -0.098 4.234 4.320 0.019 0.000 0.218 301 A C 1.720 179.313 177.584 0.014 0.000 1.169 301 A CA 1.294 53.340 52.037 0.016 0.000 0.635 301 A CB -0.407 18.605 19.000 0.020 0.000 0.810 301 A HN 0.608 nan 8.150 nan 0.000 0.445 302 E N -0.488 119.720 120.200 0.013 0.000 2.526 302 E HA -0.079 4.283 4.350 0.019 0.000 0.198 302 E C 0.904 177.511 176.600 0.011 0.000 1.091 302 E CA 0.451 56.858 56.400 0.012 0.000 0.880 302 E CB -0.006 29.701 29.700 0.012 0.000 0.873 302 E HN 0.742 nan 8.360 nan 0.000 0.527 303 Q N -1.887 117.919 119.800 0.010 0.000 2.126 303 Q HA 0.165 4.516 4.340 0.019 0.000 0.233 303 Q C 1.157 177.162 176.000 0.008 0.000 0.788 303 Q CA 0.327 56.135 55.803 0.009 0.000 0.968 303 Q CB 1.726 30.470 28.738 0.009 0.000 1.163 303 Q HN 0.301 nan 8.270 nan 0.000 0.471 304 G N 2.619 111.425 108.800 0.009 0.000 2.396 304 G HA2 -0.395 3.576 3.960 0.019 0.000 0.242 304 G HA3 -0.395 3.576 3.960 0.019 0.000 0.242 304 G C 0.432 175.337 174.900 0.008 0.000 1.069 304 G CA 0.611 45.717 45.100 0.009 0.000 0.633 304 G HN 0.337 nan 8.290 nan 0.000 0.517 305 R N 2.074 122.578 120.500 0.007 0.000 2.679 305 R HA 0.397 4.748 4.340 0.019 0.000 0.268 305 R C -2.262 174.041 176.300 0.005 0.000 1.044 305 R CA -0.708 55.395 56.100 0.005 0.000 1.105 305 R CB 0.224 30.526 30.300 0.004 0.000 0.989 305 R HN 0.170 nan 8.270 nan 0.000 0.447 306 P HA 0.080 nan 4.420 nan 0.000 0.267 306 P C -2.383 174.914 177.300 -0.005 0.000 1.205 306 P CA -0.853 62.247 63.100 -0.001 0.000 0.765 306 P CB 0.455 32.152 31.700 -0.006 0.000 0.828 307 P HA 0.091 nan 4.420 nan 0.000 0.276 307 P C 0.365 177.652 177.300 -0.022 0.000 1.243 307 P CA 0.110 63.211 63.100 0.002 0.000 0.768 307 P CB 1.038 32.745 31.700 0.011 0.000 0.856 308 E N 1.442 121.621 120.200 -0.034 0.000 2.171 308 E HA -0.198 4.164 4.350 0.019 0.000 0.197 308 E C -0.077 176.335 176.600 -0.312 0.000 0.997 308 E CA 1.379 57.693 56.400 -0.143 0.000 0.810 308 E CB -0.237 29.394 29.700 -0.115 0.000 0.738 308 E HN 0.669 nan 8.360 nan 0.000 0.467 309 H N -1.239 117.814 119.070 -0.029 0.000 2.572 309 H HA 0.320 4.888 4.556 0.019 0.000 0.359 309 H C -0.811 174.491 175.328 -0.043 0.000 1.134 309 H CA -0.471 55.556 56.048 -0.034 0.000 1.187 309 H CB 2.000 31.726 29.762 -0.060 0.000 1.597 309 H HN -0.188 nan 8.280 nan 0.000 0.524 310 T N 1.251 115.856 114.554 0.086 0.000 2.855 310 T HA 0.330 4.692 4.350 0.019 0.000 0.281 310 T C 0.023 174.737 174.700 0.025 0.000 1.007 310 T CA -0.777 61.346 62.100 0.038 0.000 1.009 310 T CB 1.553 70.450 68.868 0.049 0.000 0.983 310 T HN 0.497 nan 8.240 nan 0.000 0.455 311 S N 1.057 116.684 115.700 -0.121 0.000 2.586 311 S HA 0.348 4.829 4.470 0.019 0.000 0.274 311 S C 0.438 174.872 174.600 -0.276 0.000 1.281 311 S CA -0.680 57.338 58.200 -0.304 0.000 1.035 311 S CB 0.277 63.030 63.200 -0.744 0.000 0.962 311 S HN 0.511 nan 8.310 nan 0.000 0.512 312 K N 3.072 123.324 120.400 -0.246 0.000 2.478 312 K HA 0.173 4.505 4.320 0.019 0.000 0.205 312 K C -0.597 175.791 176.600 -0.354 0.000 1.033 312 K CA -0.270 55.827 56.287 -0.316 0.000 1.091 312 K CB -0.535 31.597 32.500 -0.614 0.000 0.844 312 K HN 0.716 nan 8.250 nan 0.000 0.507 313 F N 0.917 120.759 119.950 -0.180 0.000 2.446 313 F HA -0.280 4.257 4.527 0.017 0.000 0.184 313 F C 0.470 176.272 175.800 0.003 0.000 1.033 313 F CA 0.307 58.281 58.000 -0.042 0.000 0.845 313 F CB -2.116 36.881 39.000 -0.006 0.000 0.779 313 F HN 0.167 nan 8.300 nan 0.000 0.829 314 Y N -0.026 120.505 120.300 0.385 0.000 2.476 314 Y HA 0.229 4.789 4.550 0.017 0.000 0.283 314 Y C 2.054 178.273 175.900 0.531 0.000 1.109 314 Y CA 0.638 59.005 58.100 0.445 0.000 1.246 314 Y CB -0.484 38.258 38.460 0.470 0.000 1.068 314 Y HN 0.495 nan 8.280 nan 0.000 0.552 315 A N 0.203 123.388 122.820 0.607 0.000 1.897 315 A HA -0.150 4.182 4.320 0.019 0.000 0.215 315 A C 2.249 179.980 177.584 0.245 0.000 1.181 315 A CA 1.518 53.812 52.037 0.428 0.000 0.620 315 A CB -0.494 18.728 19.000 0.369 0.000 0.821 315 A HN 0.320 nan 8.150 nan 0.000 0.443 316 K N -0.531 120.025 120.400 0.261 0.000 2.103 316 K HA -0.153 4.179 4.320 0.019 0.000 0.207 316 K C 1.959 178.644 176.600 0.143 0.000 1.048 316 K CA 1.510 57.901 56.287 0.174 0.000 0.930 316 K CB -0.447 32.169 32.500 0.195 0.000 0.716 316 K HN 0.421 nan 8.250 nan 0.000 0.444 317 G N 0.002 108.927 108.800 0.208 0.000 2.394 317 G HA2 -0.160 3.811 3.960 0.019 0.000 0.215 317 G HA3 -0.160 3.811 3.960 0.019 0.000 0.215 317 G C 1.430 176.458 174.900 0.214 0.000 1.165 317 G CA 0.670 45.880 45.100 0.185 0.000 0.784 317 G HN 0.399 nan 8.290 nan 0.000 0.535 318 A N -0.021 122.927 122.820 0.213 0.000 2.206 318 A HA 0.323 4.655 4.320 0.019 0.000 0.211 318 A C 2.159 179.762 177.584 0.032 0.000 1.158 318 A CA 0.732 52.869 52.037 0.167 0.000 0.761 318 A CB -0.217 18.589 19.000 -0.323 0.000 0.801 318 A HN 0.328 nan 8.150 nan 0.000 0.473 319 L N 0.130 121.349 121.223 -0.008 0.000 1.997 319 L HA -0.333 4.019 4.340 0.019 0.000 0.216 319 L C 2.646 179.398 176.870 -0.197 0.000 1.074 319 L CA 2.622 57.385 54.840 -0.129 0.000 0.763 319 L CB -0.553 41.400 42.059 -0.176 0.000 0.890 319 L HN 0.560 nan 8.230 nan 0.000 0.434 320 Q N -1.791 117.889 119.800 -0.200 0.000 2.133 320 Q HA -0.274 4.078 4.340 0.019 0.000 0.208 320 Q C 2.035 177.908 176.000 -0.211 0.000 0.991 320 Q CA 2.452 58.115 55.803 -0.233 0.000 0.867 320 Q CB -0.500 28.062 28.738 -0.294 0.000 0.911 320 Q HN 0.614 nan 8.270 nan 0.000 0.417 321 Y N -0.067 120.215 120.300 -0.031 0.000 2.420 321 Y HA -0.002 4.558 4.550 0.017 0.000 0.292 321 Y C 1.911 177.718 175.900 -0.155 0.000 1.119 321 Y CA 0.424 58.489 58.100 -0.058 0.000 1.229 321 Y CB -0.029 38.416 38.460 -0.025 0.000 1.026 321 Y HN 0.022 nan 8.280 nan 0.000 0.554 322 L N -1.278 119.897 121.223 -0.080 0.000 2.068 322 L HA -0.132 4.219 4.340 0.019 0.000 0.204 322 L C 2.262 179.061 176.870 -0.119 0.000 1.076 322 L CA 0.524 55.255 54.840 -0.181 0.000 0.753 322 L CB -0.771 41.114 42.059 -0.291 0.000 0.910 322 L HN 0.029 nan 8.230 nan 0.000 0.439 323 V N 0.688 120.543 119.914 -0.097 0.000 2.250 323 V HA -0.225 3.906 4.120 0.019 0.000 0.250 323 V C -0.211 175.821 176.094 -0.104 0.000 1.060 323 V CA 2.395 64.647 62.300 -0.079 0.000 1.030 323 V CB -2.068 29.741 31.823 -0.023 0.000 0.643 323 V HN 0.405 nan 8.190 nan 0.000 0.445 324 P HA -0.069 nan 4.420 nan 0.000 0.223 324 P C 1.651 178.901 177.300 -0.084 0.000 1.151 324 P CA 1.240 64.297 63.100 -0.071 0.000 0.787 324 P CB -0.021 31.672 31.700 -0.012 0.000 0.788 325 I N -0.965 119.556 120.570 -0.081 0.000 2.617 325 I HA -0.055 4.126 4.170 0.019 0.000 0.256 325 I C 2.482 178.537 176.117 -0.104 0.000 1.167 325 I CA 0.766 62.019 61.300 -0.079 0.000 1.469 325 I CB -1.211 36.741 38.000 -0.079 0.000 1.098 325 I HN -0.044 nan 8.210 nan 0.000 0.436 326 L N 0.536 121.684 121.223 -0.124 0.000 2.084 326 L HA -0.115 4.237 4.340 0.019 0.000 0.202 326 L C 2.720 179.467 176.870 -0.205 0.000 1.074 326 L CA 1.679 56.438 54.840 -0.135 0.000 0.757 326 L CB -1.020 40.974 42.059 -0.107 0.000 0.918 326 L HN 0.266 nan 8.230 nan 0.000 0.444 327 T N -2.761 111.606 114.554 -0.312 0.000 2.881 327 T HA -0.260 4.101 4.350 0.019 0.000 0.270 327 T C 1.734 176.135 174.700 -0.499 0.000 1.068 327 T CA 1.466 63.204 62.100 -0.603 0.000 1.131 327 T CB -0.219 67.982 68.868 -1.111 0.000 0.871 327 T HN 0.186 nan 8.240 nan 0.000 0.479 328 Q N 1.367 121.008 119.800 -0.265 0.000 2.187 328 Q HA 0.041 4.392 4.340 0.019 0.000 0.199 328 Q C 2.122 178.040 176.000 -0.137 0.000 0.957 328 Q CA 1.620 57.361 55.803 -0.104 0.000 0.857 328 Q CB -0.816 27.912 28.738 -0.018 0.000 0.929 328 Q HN 0.522 nan 8.270 nan 0.000 0.453 329 T N 1.025 115.491 114.554 -0.146 0.000 3.035 329 T HA 0.044 4.406 4.350 0.019 0.000 0.268 329 T C 1.462 176.060 174.700 -0.169 0.000 1.109 329 T CA 0.667 62.681 62.100 -0.143 0.000 1.119 329 T CB -0.071 68.722 68.868 -0.126 0.000 0.900 329 T HN 0.238 nan 8.240 nan 0.000 0.503 330 L N 0.884 122.000 121.223 -0.178 0.000 2.191 330 L HA -0.069 4.283 4.340 0.019 0.000 0.212 330 L C 2.630 179.383 176.870 -0.195 0.000 1.103 330 L CA 0.956 55.700 54.840 -0.160 0.000 0.769 330 L CB -1.072 40.916 42.059 -0.119 0.000 0.908 330 L HN 0.216 nan 8.230 nan 0.000 0.438 331 T N -0.557 113.829 114.554 -0.280 0.000 3.077 331 T HA -0.107 4.255 4.350 0.019 0.000 0.269 331 T C 1.126 175.588 174.700 -0.397 0.000 1.146 331 T CA 0.940 62.746 62.100 -0.489 0.000 1.091 331 T CB -0.177 68.232 68.868 -0.765 0.000 0.892 331 T HN 0.268 nan 8.240 nan 0.000 0.533 332 K N 1.908 122.156 120.400 -0.253 0.000 3.129 332 K HA 0.212 4.543 4.320 0.019 0.000 0.241 332 K C 0.012 176.528 176.600 -0.140 0.000 1.239 332 K CA -0.218 55.955 56.287 -0.190 0.000 1.239 332 K CB 0.263 32.677 32.500 -0.145 0.000 1.347 332 K HN 0.295 nan 8.250 nan 0.000 0.435 333 Q N 0.958 120.677 119.800 -0.136 0.000 2.428 333 Q HA -0.065 4.286 4.340 0.019 0.000 0.276 333 Q C -0.390 175.637 176.000 0.046 0.000 1.059 333 Q CA 0.681 56.481 55.803 -0.004 0.000 0.923 333 Q CB 0.392 29.236 28.738 0.178 0.000 1.283 333 Q HN 0.087 nan 8.270 nan 0.000 0.447 334 D N 1.041 121.469 120.400 0.047 0.000 2.468 334 D HA 0.037 4.688 4.640 0.019 0.000 0.218 334 D C 0.488 176.838 176.300 0.083 0.000 1.155 334 D CA -0.085 53.938 54.000 0.039 0.000 0.924 334 D CB 0.526 41.323 40.800 -0.005 0.000 1.029 334 D HN 0.528 nan 8.370 nan 0.000 0.515 335 E N 2.993 123.275 120.200 0.137 0.000 2.065 335 E HA -0.275 4.087 4.350 0.019 0.000 0.201 335 E C 0.412 177.029 176.600 0.028 0.000 1.016 335 E CA 1.167 57.641 56.400 0.123 0.000 0.818 335 E CB -0.132 29.659 29.700 0.151 0.000 0.749 335 E HN 0.389 nan 8.360 nan 0.000 0.453 336 N N 1.218 119.933 118.700 0.025 0.000 2.549 336 N HA 0.011 4.762 4.740 0.019 0.000 0.267 336 N C -1.384 174.125 175.510 -0.002 0.000 1.182 336 N CA -0.024 53.029 53.050 0.004 0.000 1.019 336 N CB 0.097 38.589 38.487 0.008 0.000 1.380 336 N HN 0.094 nan 8.380 nan 0.000 0.505 337 D N 1.225 121.616 120.400 -0.015 0.000 2.399 337 D HA 0.124 4.776 4.640 0.019 0.000 0.241 337 D C -1.066 175.223 176.300 -0.018 0.000 1.133 337 D CA 0.502 54.490 54.000 -0.020 0.000 0.890 337 D CB 0.595 41.375 40.800 -0.034 0.000 1.201 337 D HN 0.379 nan 8.370 nan 0.000 0.432 338 D N 1.920 122.310 120.400 -0.016 0.000 2.365 338 D HA 0.053 4.704 4.640 0.019 0.000 0.235 338 D C -0.889 175.407 176.300 -0.006 0.000 1.368 338 D CA -0.457 53.537 54.000 -0.010 0.000 1.001 338 D CB 0.715 41.516 40.800 0.001 0.000 1.364 338 D HN 0.530 nan 8.370 nan 0.000 0.577 339 D N 1.389 121.779 120.400 -0.016 0.000 2.396 339 D HA -0.009 4.642 4.640 0.019 0.000 0.255 339 D C 0.515 176.818 176.300 0.006 0.000 1.224 339 D CA 0.168 54.160 54.000 -0.013 0.000 0.894 339 D CB 0.477 41.256 40.800 -0.034 0.000 0.939 339 D HN 0.172 nan 8.370 nan 0.000 0.506 340 D N -0.570 119.843 120.400 0.022 0.000 2.490 340 D HA -0.030 4.622 4.640 0.019 0.000 0.246 340 D C -0.855 175.486 176.300 0.067 0.000 1.196 340 D CA -0.193 53.828 54.000 0.035 0.000 0.812 340 D CB 0.519 41.329 40.800 0.017 0.000 1.191 340 D HN 0.205 nan 8.370 nan 0.000 0.531 341 D N 0.620 121.064 120.400 0.073 0.000 2.329 341 D HA 0.060 4.711 4.640 0.019 0.000 0.232 341 D C -0.787 175.607 176.300 0.158 0.000 1.088 341 D CA -0.474 53.583 54.000 0.094 0.000 0.835 341 D CB 0.682 41.508 40.800 0.043 0.000 1.078 341 D HN 0.008 nan 8.370 nan 0.000 0.495 342 W N 6.918 128.202 121.300 -0.027 0.000 2.331 342 W HA 0.300 4.976 4.660 0.027 0.000 0.306 342 W C -1.095 175.409 176.519 -0.025 0.000 1.162 342 W CA -0.617 56.711 57.345 -0.029 0.000 1.232 342 W CB 0.597 30.041 29.460 -0.026 0.000 1.235 342 W HN 0.512 nan 8.180 nan 0.000 0.479 343 N N 4.925 123.308 118.700 -0.527 0.000 2.525 343 N HA 0.340 5.092 4.740 0.019 0.000 0.270 343 N C -2.701 172.445 175.510 -0.608 0.000 1.321 343 N CA -1.626 51.160 53.050 -0.439 0.000 0.797 343 N CB 1.636 39.989 38.487 -0.224 0.000 1.529 343 N HN 0.013 nan 8.380 nan 0.000 0.491 344 P HA -0.110 nan 4.420 nan 0.000 0.217 344 P C 1.504 178.621 177.300 -0.306 0.000 1.148 344 P CA 1.119 64.035 63.100 -0.307 0.000 0.828 344 P CB 0.114 31.707 31.700 -0.179 0.000 0.783 345 C N -0.084 119.050 119.300 -0.277 0.000 2.429 345 C HA -0.097 4.374 4.460 0.019 0.000 0.277 345 C C 2.325 177.153 174.990 -0.269 0.000 1.262 345 C CA 1.180 60.059 59.018 -0.231 0.000 1.733 345 C CB -1.485 26.149 27.740 -0.176 0.000 2.010 345 C HN 0.149 nan 8.230 nan 0.000 0.483 346 K N 0.555 120.731 120.400 -0.375 0.000 2.186 346 K HA 0.105 4.437 4.320 0.019 0.000 0.202 346 K C 2.307 178.614 176.600 -0.489 0.000 1.052 346 K CA 1.148 57.201 56.287 -0.389 0.000 0.965 346 K CB -0.295 31.976 32.500 -0.381 0.000 0.746 346 K HN 0.514 nan 8.250 nan 0.000 0.457 347 A N 1.617 123.973 122.820 -0.773 0.000 1.972 347 A HA -0.088 4.243 4.320 0.019 0.000 0.219 347 A C 2.311 179.771 177.584 -0.207 0.000 1.169 347 A CA 1.762 53.424 52.037 -0.626 0.000 0.635 347 A CB -0.503 18.106 19.000 -0.651 0.000 0.810 347 A HN 0.310 nan 8.150 nan 0.000 0.446 348 A N -0.697 121.997 122.820 -0.209 0.000 2.014 348 A HA 0.247 4.578 4.320 0.019 0.000 0.218 348 A C 2.274 179.807 177.584 -0.085 0.000 1.163 348 A CA 1.543 53.508 52.037 -0.118 0.000 0.652 348 A CB -0.986 17.931 19.000 -0.138 0.000 0.808 348 A HN 0.629 nan 8.150 nan 0.000 0.449 349 G N -0.524 108.212 108.800 -0.108 0.000 2.403 349 G HA2 -0.029 3.943 3.960 0.019 0.000 0.216 349 G HA3 -0.029 3.943 3.960 0.019 0.000 0.216 349 G C 1.430 176.324 174.900 -0.009 0.000 1.154 349 G CA 1.120 46.179 45.100 -0.069 0.000 0.784 349 G HN 0.280 nan 8.290 nan 0.000 0.538 350 V N 0.287 120.207 119.914 0.009 0.000 2.407 350 V HA -0.187 3.945 4.120 0.019 0.000 0.248 350 V C 2.878 179.028 176.094 0.093 0.000 1.055 350 V CA 1.605 63.955 62.300 0.083 0.000 1.049 350 V CB -0.547 31.384 31.823 0.180 0.000 0.662 350 V HN 0.552 nan 8.190 nan 0.000 0.455 351 C N -0.784 118.564 119.300 0.080 0.000 2.446 351 C HA -0.005 4.467 4.460 0.019 0.000 0.279 351 C C 2.541 177.575 174.990 0.074 0.000 1.366 351 C CA 0.727 59.802 59.018 0.095 0.000 1.763 351 C CB -0.990 26.807 27.740 0.095 0.000 1.929 351 C HN 0.592 nan 8.230 nan 0.000 0.509 352 L N -0.065 121.186 121.223 0.047 0.000 2.131 352 L HA -0.024 4.328 4.340 0.019 0.000 0.206 352 L C 2.550 179.462 176.870 0.069 0.000 1.087 352 L CA 1.426 56.290 54.840 0.041 0.000 0.767 352 L CB -0.425 41.646 42.059 0.020 0.000 0.917 352 L HN 0.402 nan 8.230 nan 0.000 0.441 353 M N -0.788 118.864 119.600 0.087 0.000 2.229 353 M HA -0.219 4.273 4.480 0.019 0.000 0.264 353 M C 1.953 178.310 176.300 0.095 0.000 1.063 353 M CA 1.695 57.060 55.300 0.109 0.000 1.114 353 M CB 0.114 32.797 32.600 0.138 0.000 1.387 353 M HN 0.210 nan 8.290 nan 0.000 0.420 354 L N -0.636 120.643 121.223 0.093 0.000 2.209 354 L HA -0.092 4.259 4.340 0.019 0.000 0.207 354 L C 2.119 179.044 176.870 0.092 0.000 1.094 354 L CA 0.510 55.405 54.840 0.091 0.000 0.790 354 L CB -0.292 41.826 42.059 0.099 0.000 0.932 354 L HN 0.332 nan 8.230 nan 0.000 0.447 355 L N -0.602 120.675 121.223 0.091 0.000 2.291 355 L HA -0.128 4.223 4.340 0.019 0.000 0.214 355 L C 2.619 179.532 176.870 0.072 0.000 1.120 355 L CA 0.794 55.685 54.840 0.085 0.000 0.799 355 L CB -0.282 41.814 42.059 0.061 0.000 0.925 355 L HN 0.247 nan 8.230 nan 0.000 0.446 356 A N -0.476 122.385 122.820 0.069 0.000 1.930 356 A HA -0.145 4.187 4.320 0.019 0.000 0.215 356 A C 2.338 179.959 177.584 0.062 0.000 1.176 356 A CA 1.673 53.748 52.037 0.063 0.000 0.632 356 A CB -0.613 18.424 19.000 0.062 0.000 0.819 356 A HN 0.477 nan 8.150 nan 0.000 0.445 357 T N -3.370 111.224 114.554 0.066 0.000 2.942 357 T HA -0.143 4.219 4.350 0.019 0.000 0.265 357 T C 1.966 176.705 174.700 0.065 0.000 1.062 357 T CA 1.226 63.362 62.100 0.060 0.000 1.139 357 T CB -1.047 67.857 68.868 0.059 0.000 0.883 357 T HN 0.463 nan 8.240 nan 0.000 0.468 358 C N 0.775 120.120 119.300 0.076 0.000 2.489 358 C HA 0.060 4.532 4.460 0.019 0.000 0.279 358 C C 2.893 177.943 174.990 0.101 0.000 1.266 358 C CA 0.639 59.709 59.018 0.086 0.000 1.707 358 C CB -1.387 26.415 27.740 0.104 0.000 2.059 358 C HN 0.749 nan 8.230 nan 0.000 0.481 359 C N 0.102 119.462 119.300 0.100 0.000 2.551 359 C HA 0.227 4.699 4.460 0.019 0.000 0.277 359 C C 1.141 176.178 174.990 0.078 0.000 1.349 359 C CA 0.335 59.414 59.018 0.101 0.000 1.750 359 C CB -1.588 26.205 27.740 0.088 0.000 2.058 359 C HN 0.820 nan 8.230 nan 0.000 0.518 360 E N 0.372 120.612 120.200 0.068 0.000 3.228 360 E HA -0.277 4.084 4.350 0.019 0.000 0.299 360 E C 0.359 176.994 176.600 0.058 0.000 1.446 360 E CA 1.148 57.583 56.400 0.058 0.000 1.835 360 E CB -1.306 28.427 29.700 0.055 0.000 1.933 360 E HN 0.387 nan 8.360 nan 0.000 0.511 361 D N 1.088 121.520 120.400 0.054 0.000 2.242 361 D HA -0.222 4.430 4.640 0.019 0.000 0.190 361 D C 1.329 177.672 176.300 0.072 0.000 1.012 361 D CA 2.396 56.430 54.000 0.057 0.000 0.875 361 D CB -0.634 40.195 40.800 0.049 0.000 0.922 361 D HN 0.320 nan 8.370 nan 0.000 0.448 362 D N 1.080 121.521 120.400 0.068 0.000 2.203 362 D HA -0.174 4.478 4.640 0.019 0.000 0.199 362 D C 2.220 178.588 176.300 0.114 0.000 0.997 362 D CA 0.645 54.695 54.000 0.082 0.000 0.863 362 D CB -0.699 40.128 40.800 0.045 0.000 0.928 362 D HN 0.561 nan 8.370 nan 0.000 0.458 363 I N -2.093 118.526 120.570 0.082 0.000 2.493 363 I HA -0.156 4.025 4.170 0.019 0.000 0.254 363 I C 1.876 178.084 176.117 0.151 0.000 1.160 363 I CA 0.629 61.979 61.300 0.083 0.000 1.445 363 I CB -0.397 37.639 38.000 0.060 0.000 1.086 363 I HN -0.128 nan 8.210 nan 0.000 0.433 364 V N 2.862 122.859 119.914 0.138 0.000 2.244 364 V HA -0.094 4.038 4.120 0.019 0.000 0.244 364 V C 0.043 176.219 176.094 0.136 0.000 1.042 364 V CA 2.306 64.684 62.300 0.129 0.000 1.006 364 V CB -2.091 29.793 31.823 0.102 0.000 0.641 364 V HN 0.387 nan 8.190 nan 0.000 0.446 365 P HA -0.162 nan 4.420 nan 0.000 0.229 365 P C 0.734 178.002 177.300 -0.052 0.000 1.150 365 P CA 1.597 64.719 63.100 0.036 0.000 0.765 365 P CB -0.117 31.585 31.700 0.004 0.000 0.783 366 H N -1.751 117.344 119.070 0.041 0.000 2.582 366 H HA 0.105 4.661 4.556 -0.000 0.000 0.269 366 H C 1.822 177.181 175.328 0.051 0.000 0.962 366 H CA 0.531 56.596 56.048 0.029 0.000 1.230 366 H CB 0.112 29.878 29.762 0.006 0.000 1.445 366 H HN -0.087 nan 8.280 nan 0.000 0.528 367 V N -0.130 119.893 119.914 0.181 0.000 2.922 367 V HA -0.047 4.085 4.120 0.019 0.000 0.242 367 V C 2.220 178.445 176.094 0.218 0.000 1.094 367 V CA 0.467 62.871 62.300 0.174 0.000 1.106 367 V CB -0.219 31.702 31.823 0.163 0.000 0.799 367 V HN 0.286 nan 8.190 nan 0.000 0.474 368 L N 1.079 122.408 121.223 0.176 0.000 2.051 368 L HA -0.154 4.197 4.340 0.019 0.000 0.214 368 L C 0.288 177.236 176.870 0.131 0.000 1.076 368 L CA 2.163 57.095 54.840 0.154 0.000 0.758 368 L CB -1.596 40.527 42.059 0.107 0.000 0.890 368 L HN 0.376 nan 8.230 nan 0.000 0.433 369 P HA -0.283 nan 4.420 nan 0.000 0.213 369 P C 1.672 179.059 177.300 0.146 0.000 1.170 369 P CA 1.692 64.845 63.100 0.089 0.000 0.898 369 P CB -0.301 31.438 31.700 0.065 0.000 0.787 370 F N 0.952 120.945 119.950 0.072 0.000 2.154 370 F HA -0.223 4.324 4.527 0.034 0.000 0.301 370 F C 2.098 178.000 175.800 0.170 0.000 1.087 370 F CA 1.383 59.473 58.000 0.150 0.000 1.274 370 F CB -0.645 38.463 39.000 0.180 0.000 1.009 370 F HN -0.282 nan 8.300 nan 0.000 0.485 371 I N 0.684 121.427 120.570 0.289 0.000 2.058 371 I HA -0.291 3.891 4.170 0.019 0.000 0.235 371 I C 2.336 178.441 176.117 -0.020 0.000 1.053 371 I CA 1.485 62.872 61.300 0.145 0.000 1.313 371 I CB -1.568 36.526 38.000 0.156 0.000 1.039 371 I HN 0.101 nan 8.210 nan 0.000 0.396 372 K N 0.585 120.968 120.400 -0.028 0.000 2.360 372 K HA -0.199 4.133 4.320 0.019 0.000 0.201 372 K C 1.912 178.444 176.600 -0.114 0.000 1.046 372 K CA 0.963 57.206 56.287 -0.073 0.000 0.940 372 K CB -0.147 32.321 32.500 -0.053 0.000 0.748 372 K HN 0.466 nan 8.250 nan 0.000 0.465 373 E N -0.921 119.181 120.200 -0.163 0.000 2.216 373 E HA -0.052 4.310 4.350 0.019 0.000 0.192 373 E C 1.212 177.548 176.600 -0.440 0.000 0.973 373 E CA 0.381 56.600 56.400 -0.302 0.000 0.851 373 E CB 0.354 29.844 29.700 -0.351 0.000 0.804 373 E HN 0.299 nan 8.360 nan 0.000 0.477 374 H N -0.511 118.380 119.070 -0.297 0.000 2.827 374 H HA 0.074 4.630 4.556 0.001 0.000 0.269 374 H C 1.827 177.059 175.328 -0.160 0.000 1.031 374 H CA -0.111 55.762 56.048 -0.291 0.000 1.202 374 H CB 0.618 30.056 29.762 -0.539 0.000 1.511 374 H HN 0.202 nan 8.280 nan 0.000 0.517 375 I N 1.332 121.883 120.570 -0.032 0.000 2.300 375 I HA -0.248 3.934 4.170 0.019 0.000 0.252 375 I C 0.921 177.035 176.117 -0.005 0.000 1.119 375 I CA 1.826 63.112 61.300 -0.024 0.000 1.384 375 I CB -0.091 37.864 38.000 -0.075 0.000 1.062 375 I HN 0.063 nan 8.210 nan 0.000 0.426 376 K N 0.577 120.968 120.400 -0.015 0.000 2.646 376 K HA 0.104 4.436 4.320 0.019 0.000 0.206 376 K C 0.150 176.756 176.600 0.010 0.000 1.069 376 K CA -0.291 55.995 56.287 -0.002 0.000 1.067 376 K CB 0.028 32.515 32.500 -0.022 0.000 0.807 376 K HN 0.257 nan 8.250 nan 0.000 0.482 377 N N 1.409 120.130 118.700 0.035 0.000 2.412 377 N HA -0.031 4.721 4.740 0.019 0.000 0.258 377 N C -1.931 173.614 175.510 0.057 0.000 1.236 377 N CA -1.142 51.935 53.050 0.045 0.000 0.882 377 N CB 0.958 39.526 38.487 0.136 0.000 1.066 377 N HN -0.123 nan 8.380 nan 0.000 0.465 378 P HA -0.106 nan 4.420 nan 0.000 0.221 378 P C -0.771 176.580 177.300 0.084 0.000 1.145 378 P CA 1.150 64.279 63.100 0.048 0.000 0.795 378 P CB 0.174 31.885 31.700 0.018 0.000 0.775 379 D N -0.815 119.628 120.400 0.072 0.000 2.329 379 D HA 0.016 4.667 4.640 0.019 0.000 0.232 379 D C 1.234 177.570 176.300 0.060 0.000 1.088 379 D CA -0.912 53.119 54.000 0.052 0.000 0.835 379 D CB 0.286 41.093 40.800 0.011 0.000 1.078 379 D HN 0.076 nan 8.370 nan 0.000 0.495 380 W N 4.893 126.233 121.300 0.068 0.000 2.325 380 W HA -0.242 4.436 4.660 0.030 0.000 0.299 380 W C 0.988 177.526 176.519 0.030 0.000 1.215 380 W CA 0.432 57.805 57.345 0.047 0.000 1.244 380 W CB -0.705 28.770 29.460 0.026 0.000 1.140 380 W HN 0.388 nan 8.180 nan 0.000 0.523 381 R N 0.129 120.075 120.500 -0.923 0.000 2.119 381 R HA -0.228 4.123 4.340 0.019 0.000 0.246 381 R C 2.116 178.143 176.300 -0.454 0.000 1.146 381 R CA 2.405 57.951 56.100 -0.922 0.000 0.962 381 R CB -1.137 28.485 30.300 -1.129 0.000 0.863 381 R HN 0.255 nan 8.270 nan 0.000 0.442 382 Y N -0.149 119.972 120.300 -0.298 0.000 2.519 382 Y HA 0.039 4.585 4.550 -0.007 0.000 0.287 382 Y C 2.492 178.277 175.900 -0.193 0.000 1.128 382 Y CA 0.571 58.463 58.100 -0.346 0.000 1.282 382 Y CB -0.026 38.137 38.460 -0.495 0.000 1.027 382 Y HN -0.020 nan 8.280 nan 0.000 0.551 383 R N 0.358 120.912 120.500 0.091 0.000 2.075 383 R HA -0.115 4.236 4.340 0.019 0.000 0.226 383 R C 1.752 178.137 176.300 0.142 0.000 1.114 383 R CA 1.679 57.853 56.100 0.124 0.000 0.972 383 R CB -0.215 30.182 30.300 0.162 0.000 0.869 383 R HN 0.239 nan 8.270 nan 0.000 0.437 384 D N -0.051 120.458 120.400 0.181 0.000 2.097 384 D HA -0.084 4.568 4.640 0.019 0.000 0.197 384 D C 1.704 178.103 176.300 0.165 0.000 0.984 384 D CA 1.538 55.657 54.000 0.198 0.000 0.826 384 D CB -0.022 40.947 40.800 0.281 0.000 0.973 384 D HN 0.346 nan 8.370 nan 0.000 0.460 385 A N 0.225 123.117 122.820 0.120 0.000 2.019 385 A HA 0.050 4.381 4.320 0.019 0.000 0.219 385 A C 2.266 180.067 177.584 0.363 0.000 1.164 385 A CA 1.854 53.999 52.037 0.181 0.000 0.644 385 A CB -0.816 18.271 19.000 0.145 0.000 0.805 385 A HN 0.324 nan 8.150 nan 0.000 0.449 386 A N -0.880 122.104 122.820 0.272 0.000 2.066 386 A HA 0.172 4.503 4.320 0.019 0.000 0.218 386 A C 2.012 179.760 177.584 0.273 0.000 1.157 386 A CA 1.561 53.758 52.037 0.266 0.000 0.670 386 A CB -0.337 18.706 19.000 0.072 0.000 0.804 386 A HN 0.363 nan 8.150 nan 0.000 0.453 387 V N -1.199 118.869 119.914 0.258 0.000 2.795 387 V HA -0.095 4.037 4.120 0.019 0.000 0.243 387 V C 2.370 178.705 176.094 0.403 0.000 1.069 387 V CA 1.631 64.118 62.300 0.311 0.000 1.089 387 V CB -0.365 31.605 31.823 0.244 0.000 0.756 387 V HN 0.596 nan 8.190 nan 0.000 0.471 388 M N 1.784 121.580 119.600 0.327 0.000 2.067 388 M HA -0.075 4.416 4.480 0.019 0.000 0.260 388 M C 2.112 178.622 176.300 0.351 0.000 1.069 388 M CA 2.441 57.932 55.300 0.319 0.000 1.117 388 M CB -0.729 31.948 32.600 0.128 0.000 1.334 388 M HN 0.232 nan 8.290 nan 0.000 0.407 389 A N -0.487 122.507 122.820 0.290 0.000 1.940 389 A HA -0.191 4.141 4.320 0.019 0.000 0.219 389 A C 2.126 179.898 177.584 0.313 0.000 1.176 389 A CA 1.874 54.062 52.037 0.252 0.000 0.631 389 A CB -1.434 17.709 19.000 0.238 0.000 0.814 389 A HN 0.682 nan 8.150 nan 0.000 0.446 390 F N 1.198 121.272 119.950 0.206 0.000 2.134 390 F HA -0.032 4.503 4.527 0.013 0.000 0.299 390 F C 2.251 178.137 175.800 0.143 0.000 1.097 390 F CA 1.353 59.448 58.000 0.159 0.000 1.264 390 F CB -0.870 38.212 39.000 0.137 0.000 1.001 390 F HN 0.177 nan 8.300 nan 0.000 0.479 391 G N -0.620 108.246 108.800 0.111 0.000 2.404 391 G HA2 -0.246 3.726 3.960 0.019 0.000 0.215 391 G HA3 -0.246 3.726 3.960 0.019 0.000 0.215 391 G C 1.770 176.686 174.900 0.026 0.000 1.174 391 G CA 0.979 46.020 45.100 -0.099 0.000 0.780 391 G HN 0.499 nan 8.290 nan 0.000 0.537 392 C N 1.005 120.491 119.300 0.309 0.000 2.398 392 C HA -0.102 4.370 4.460 0.019 0.000 0.282 392 C C 2.441 177.498 174.990 0.112 0.000 1.275 392 C CA 0.885 60.063 59.018 0.267 0.000 1.797 392 C CB -1.181 26.692 27.740 0.222 0.000 1.991 392 C HN 0.651 nan 8.230 nan 0.000 0.505 393 I N -2.199 118.400 120.570 0.049 0.000 3.861 393 I HA 0.224 4.406 4.170 0.019 0.000 0.329 393 I C 1.392 177.480 176.117 -0.048 0.000 1.321 393 I CA 0.915 62.228 61.300 0.020 0.000 1.126 393 I CB -0.733 37.300 38.000 0.054 0.000 1.018 393 I HN 0.126 nan 8.210 nan 0.000 0.407 394 L N 0.443 121.596 121.223 -0.117 0.000 2.313 394 L HA 0.157 4.509 4.340 0.019 0.000 0.214 394 L C 1.079 177.905 176.870 -0.073 0.000 1.119 394 L CA 0.707 55.451 54.840 -0.160 0.000 0.809 394 L CB -0.042 41.858 42.059 -0.264 0.000 0.933 394 L HN 0.394 nan 8.230 nan 0.000 0.449 395 E N -0.174 120.010 120.200 -0.027 0.000 2.115 395 E HA 0.375 4.736 4.350 0.019 0.000 0.282 395 E C 0.404 177.017 176.600 0.021 0.000 0.987 395 E CA 0.362 56.765 56.400 0.004 0.000 0.797 395 E CB 0.738 30.454 29.700 0.027 0.000 1.086 395 E HN 0.199 nan 8.360 nan 0.000 0.397 396 G N 4.093 112.905 108.800 0.021 0.000 2.138 396 G HA2 -0.144 3.828 3.960 0.019 0.000 0.193 396 G HA3 -0.144 3.828 3.960 0.019 0.000 0.193 396 G C -2.793 172.129 174.900 0.036 0.000 0.998 396 G CA -0.456 44.664 45.100 0.032 0.000 0.668 396 G HN 0.510 nan 8.290 nan 0.000 0.516 397 P HA 0.475 nan 4.420 nan 0.000 0.288 397 P C -0.203 177.113 177.300 0.026 0.000 1.300 397 P CA -0.724 62.396 63.100 0.033 0.000 0.910 397 P CB 0.926 32.648 31.700 0.037 0.000 1.256 398 E N 1.420 121.637 120.200 0.029 0.000 2.415 398 E HA -0.025 4.336 4.350 0.019 0.000 0.263 398 E C -1.566 175.047 176.600 0.021 0.000 0.995 398 E CA -0.897 55.518 56.400 0.025 0.000 0.915 398 E CB -0.080 29.636 29.700 0.026 0.000 0.951 398 E HN 0.290 nan 8.360 nan 0.000 0.449 399 P HA -0.139 nan 4.420 nan 0.000 0.222 399 P C 0.552 177.863 177.300 0.018 0.000 1.147 399 P CA 1.049 64.157 63.100 0.014 0.000 0.790 399 P CB 0.250 31.957 31.700 0.012 0.000 0.780 400 S N -1.939 113.773 115.700 0.021 0.000 2.667 400 S HA 0.175 4.657 4.470 0.019 0.000 0.251 400 S C 1.151 175.767 174.600 0.027 0.000 1.075 400 S CA -0.282 57.931 58.200 0.023 0.000 1.130 400 S CB -0.394 62.818 63.200 0.020 0.000 0.795 400 S HN 0.148 nan 8.310 nan 0.000 0.462 401 Q N -0.708 119.111 119.800 0.031 0.000 2.106 401 Q HA 0.266 4.617 4.340 0.019 0.000 0.230 401 Q C 0.594 176.623 176.000 0.048 0.000 0.720 401 Q CA 0.009 55.835 55.803 0.038 0.000 0.899 401 Q CB 0.086 28.847 28.738 0.039 0.000 1.232 401 Q HN 0.499 nan 8.270 nan 0.000 0.461 402 L N 1.055 122.304 121.223 0.043 0.000 2.298 402 L HA 0.147 4.499 4.340 0.019 0.000 0.209 402 L C 1.920 178.825 176.870 0.058 0.000 1.084 402 L CA 1.214 56.085 54.840 0.051 0.000 0.816 402 L CB -0.158 41.911 42.059 0.016 0.000 0.967 402 L HN 0.006 nan 8.230 nan 0.000 0.460 403 K N 0.253 120.679 120.400 0.042 0.000 2.044 403 K HA -0.167 4.164 4.320 0.019 0.000 0.210 403 K C -0.477 176.159 176.600 0.059 0.000 1.049 403 K CA 1.906 58.219 56.287 0.045 0.000 0.927 403 K CB -1.272 31.249 32.500 0.034 0.000 0.713 403 K HN 0.317 nan 8.250 nan 0.000 0.443 404 P HA -0.162 nan 4.420 nan 0.000 0.216 404 P C 1.451 178.792 177.300 0.068 0.000 1.153 404 P CA 1.409 64.544 63.100 0.058 0.000 0.848 404 P CB -0.025 31.703 31.700 0.047 0.000 0.787 405 L N -0.772 120.502 121.223 0.085 0.000 2.027 405 L HA -0.113 4.238 4.340 0.019 0.000 0.206 405 L C 2.839 179.793 176.870 0.140 0.000 1.074 405 L CA 1.161 56.065 54.840 0.107 0.000 0.745 405 L CB -1.240 40.911 42.059 0.153 0.000 0.898 405 L HN -0.189 nan 8.230 nan 0.000 0.433 406 V N 0.243 120.265 119.914 0.180 0.000 2.287 406 V HA -0.314 3.817 4.120 0.019 0.000 0.248 406 V C 2.352 178.504 176.094 0.097 0.000 1.053 406 V CA 1.996 64.423 62.300 0.211 0.000 1.027 406 V CB -0.332 31.568 31.823 0.127 0.000 0.646 406 V HN 0.302 nan 8.190 nan 0.000 0.447 407 I N 0.442 121.059 120.570 0.078 0.000 2.208 407 I HA -0.311 3.871 4.170 0.019 0.000 0.245 407 I C 2.581 178.721 176.117 0.038 0.000 1.097 407 I CA 2.016 63.364 61.300 0.081 0.000 1.363 407 I CB -0.368 37.704 38.000 0.120 0.000 1.051 407 I HN 0.503 nan 8.210 nan 0.000 0.413 408 Q N 0.894 120.718 119.800 0.040 0.000 2.431 408 Q HA 0.025 4.376 4.340 0.019 0.000 0.210 408 Q C 1.278 177.244 176.000 -0.056 0.000 0.958 408 Q CA 0.892 56.701 55.803 0.009 0.000 0.957 408 Q CB 0.186 28.937 28.738 0.021 0.000 1.007 408 Q HN 0.482 nan 8.270 nan 0.000 0.511 409 A N -0.184 122.588 122.820 -0.080 0.000 2.312 409 A HA 0.205 4.537 4.320 0.019 0.000 0.215 409 A C 1.795 179.271 177.584 -0.180 0.000 1.256 409 A CA -0.221 51.727 52.037 -0.149 0.000 0.966 409 A CB 0.145 19.060 19.000 -0.140 0.000 1.053 409 A HN 0.250 nan 8.150 nan 0.000 0.510 410 M N 0.527 119.971 119.600 -0.261 0.000 2.115 410 M HA -0.126 4.365 4.480 0.019 0.000 0.258 410 M C -0.496 175.557 176.300 -0.411 0.000 1.071 410 M CA 2.094 57.144 55.300 -0.417 0.000 1.100 410 M CB -2.431 29.658 32.600 -0.850 0.000 1.292 410 M HN 0.101 nan 8.290 nan 0.000 0.415 411 P HA -0.103 nan 4.420 nan 0.000 0.216 411 P C 1.452 178.676 177.300 -0.126 0.000 1.150 411 P CA 1.586 64.545 63.100 -0.235 0.000 0.843 411 P CB -0.295 31.334 31.700 -0.117 0.000 0.787 412 T N -0.431 114.046 114.554 -0.128 0.000 2.904 412 T HA -0.047 4.314 4.350 0.019 0.000 0.267 412 T C 1.663 176.318 174.700 -0.075 0.000 1.059 412 T CA 0.699 62.745 62.100 -0.090 0.000 1.137 412 T CB -0.583 68.221 68.868 -0.106 0.000 0.879 412 T HN -0.028 nan 8.240 nan 0.000 0.467 413 L N 0.733 121.901 121.223 -0.090 0.000 2.072 413 L HA 0.092 4.443 4.340 0.019 0.000 0.205 413 L C 2.354 179.204 176.870 -0.034 0.000 1.079 413 L CA 1.491 56.307 54.840 -0.040 0.000 0.752 413 L CB -1.002 41.045 42.059 -0.020 0.000 0.906 413 L HN 0.321 nan 8.230 nan 0.000 0.436 414 I N -0.115 120.415 120.570 -0.067 0.000 2.194 414 I HA -0.344 3.837 4.170 0.019 0.000 0.246 414 I C 2.423 178.526 176.117 -0.023 0.000 1.093 414 I CA 1.342 62.613 61.300 -0.048 0.000 1.355 414 I CB -0.181 37.785 38.000 -0.056 0.000 1.046 414 I HN 0.346 nan 8.210 nan 0.000 0.413 415 E N 0.711 120.897 120.200 -0.023 0.000 2.047 415 E HA -0.196 4.165 4.350 0.019 0.000 0.191 415 E C 2.235 178.835 176.600 0.001 0.000 0.987 415 E CA 1.039 57.434 56.400 -0.009 0.000 0.799 415 E CB -0.221 29.473 29.700 -0.011 0.000 0.752 415 E HN 0.451 nan 8.360 nan 0.000 0.449 416 L N 0.775 122.001 121.223 0.005 0.000 2.450 416 L HA -0.173 4.179 4.340 0.019 0.000 0.225 416 L C 2.256 179.142 176.870 0.028 0.000 1.145 416 L CA 0.556 55.411 54.840 0.024 0.000 0.801 416 L CB -0.245 41.837 42.059 0.038 0.000 0.924 416 L HN 0.234 nan 8.230 nan 0.000 0.447 417 M N -0.927 118.684 119.600 0.017 0.000 2.618 417 M HA -0.052 4.440 4.480 0.019 0.000 0.240 417 M C 1.076 177.383 176.300 0.011 0.000 1.123 417 M CA 1.145 56.455 55.300 0.016 0.000 1.060 417 M CB -0.085 32.519 32.600 0.005 0.000 1.535 417 M HN 0.179 nan 8.290 nan 0.000 0.507 418 K N -0.309 120.097 120.400 0.010 0.000 2.478 418 K HA 0.111 4.443 4.320 0.019 0.000 0.205 418 K C 0.094 176.699 176.600 0.007 0.000 1.033 418 K CA -0.190 56.101 56.287 0.007 0.000 1.091 418 K CB 0.740 33.243 32.500 0.006 0.000 0.844 418 K HN 0.123 nan 8.250 nan 0.000 0.507 419 D N 2.505 122.912 120.400 0.010 0.000 2.443 419 D HA -0.008 4.643 4.640 0.019 0.000 0.239 419 D C -1.264 175.032 176.300 -0.007 0.000 1.136 419 D CA -1.233 52.774 54.000 0.012 0.000 0.879 419 D CB 1.333 42.148 40.800 0.025 0.000 1.195 419 D HN -0.010 nan 8.370 nan 0.000 0.443 420 P HA -0.075 nan 4.420 nan 0.000 0.220 420 P C 0.495 177.752 177.300 -0.071 0.000 1.148 420 P CA 0.398 63.484 63.100 -0.024 0.000 0.803 420 P CB 0.379 32.077 31.700 -0.003 0.000 0.782 421 S N -0.934 114.703 115.700 -0.104 0.000 2.541 421 S HA 0.288 4.769 4.470 0.019 0.000 0.283 421 S C 1.331 175.810 174.600 -0.202 0.000 1.196 421 S CA -0.806 57.249 58.200 -0.241 0.000 1.062 421 S CB 1.059 64.003 63.200 -0.426 0.000 1.009 421 S HN -0.233 nan 8.310 nan 0.000 0.502 422 V N 5.494 125.268 119.914 -0.234 0.000 2.261 422 V HA -0.127 4.004 4.120 0.019 0.000 0.246 422 V C 2.344 178.349 176.094 -0.150 0.000 1.047 422 V CA 1.973 64.178 62.300 -0.159 0.000 1.015 422 V CB -1.006 30.726 31.823 -0.151 0.000 0.642 422 V HN 0.816 nan 8.190 nan 0.000 0.446 423 V N 0.374 120.139 119.914 -0.249 0.000 2.278 423 V HA -0.292 3.840 4.120 0.019 0.000 0.251 423 V C 2.463 178.539 176.094 -0.030 0.000 1.062 423 V CA 2.324 64.526 62.300 -0.163 0.000 1.038 423 V CB -0.901 30.750 31.823 -0.286 0.000 0.646 423 V HN 0.438 nan 8.190 nan 0.000 0.447 424 V N -0.392 119.514 119.914 -0.014 0.000 2.343 424 V HA -0.273 3.859 4.120 0.019 0.000 0.247 424 V C 2.526 178.661 176.094 0.068 0.000 1.051 424 V CA 2.258 64.606 62.300 0.080 0.000 1.036 424 V CB -0.864 31.019 31.823 0.100 0.000 0.654 424 V HN 0.414 nan 8.190 nan 0.000 0.451 425 R N -0.038 120.478 120.500 0.028 0.000 2.148 425 R HA -0.150 4.201 4.340 0.019 0.000 0.227 425 R C 2.249 178.586 176.300 0.062 0.000 1.103 425 R CA 1.402 57.525 56.100 0.039 0.000 0.983 425 R CB -0.379 29.927 30.300 0.011 0.000 0.874 425 R HN 0.648 nan 8.270 nan 0.000 0.451 426 D N -0.493 119.935 120.400 0.047 0.000 2.117 426 D HA -0.114 4.537 4.640 0.019 0.000 0.198 426 D C 1.024 177.400 176.300 0.127 0.000 0.982 426 D CA 1.452 55.489 54.000 0.063 0.000 0.828 426 D CB 0.138 40.946 40.800 0.013 0.000 0.967 426 D HN 0.098 nan 8.370 nan 0.000 0.464 427 T N 0.110 114.745 114.554 0.135 0.000 3.067 427 T HA 0.212 4.574 4.350 0.019 0.000 0.261 427 T C 1.882 176.775 174.700 0.320 0.000 1.110 427 T CA 0.718 62.953 62.100 0.225 0.000 1.113 427 T CB 0.097 69.071 68.868 0.176 0.000 0.917 427 T HN 0.251 nan 8.240 nan 0.000 0.499 428 A N 1.657 124.609 122.820 0.219 0.000 1.897 428 A HA 0.315 4.647 4.320 0.019 0.000 0.215 428 A C 2.626 180.320 177.584 0.184 0.000 1.181 428 A CA 1.419 53.570 52.037 0.190 0.000 0.620 428 A CB -1.008 18.063 19.000 0.119 0.000 0.821 428 A HN 0.480 nan 8.150 nan 0.000 0.443 429 A N -1.507 121.423 122.820 0.184 0.000 1.930 429 A HA -0.129 4.203 4.320 0.019 0.000 0.217 429 A C 1.959 179.708 177.584 0.274 0.000 1.175 429 A CA 1.514 53.652 52.037 0.169 0.000 0.627 429 A CB -0.852 18.245 19.000 0.161 0.000 0.815 429 A HN 0.863 nan 8.150 nan 0.000 0.443 430 W N 1.377 122.798 121.300 0.202 0.000 2.355 430 W HA -0.164 4.506 4.660 0.016 0.000 0.309 430 W C 2.118 178.834 176.519 0.328 0.000 1.206 430 W CA 2.562 60.092 57.345 0.308 0.000 1.284 430 W CB -0.661 28.881 29.460 0.136 0.000 1.145 430 W HN 0.264 nan 8.180 nan 0.000 0.502 431 T N 0.598 115.240 114.554 0.146 0.000 2.746 431 T HA -0.225 4.137 4.350 0.019 0.000 0.267 431 T C 1.862 176.501 174.700 -0.102 0.000 1.039 431 T CA 1.999 64.046 62.100 -0.090 0.000 1.142 431 T CB -0.921 68.057 68.868 0.184 0.000 0.866 431 T HN 0.033 nan 8.240 nan 0.000 0.444 432 V N 1.464 121.372 119.914 -0.010 0.000 2.343 432 V HA -0.118 4.013 4.120 0.019 0.000 0.247 432 V C 2.870 178.863 176.094 -0.168 0.000 1.051 432 V CA 2.039 64.300 62.300 -0.065 0.000 1.036 432 V CB -1.308 30.486 31.823 -0.050 0.000 0.654 432 V HN 0.617 nan 8.190 nan 0.000 0.451 433 G N -0.775 107.918 108.800 -0.179 0.000 2.408 433 G HA2 -0.281 3.690 3.960 0.019 0.000 0.217 433 G HA3 -0.281 3.690 3.960 0.019 0.000 0.217 433 G C 1.728 176.267 174.900 -0.602 0.000 1.150 433 G CA 0.823 45.610 45.100 -0.521 0.000 0.776 433 G HN 0.432 nan 8.290 nan 0.000 0.542 434 R N -0.179 120.146 120.500 -0.292 0.000 2.115 434 R HA 0.161 4.512 4.340 0.019 0.000 0.226 434 R C 2.454 178.612 176.300 -0.237 0.000 1.100 434 R CA 0.623 56.593 56.100 -0.217 0.000 0.980 434 R CB -0.249 29.770 30.300 -0.469 0.000 0.875 434 R HN 0.420 nan 8.270 nan 0.000 0.445 435 I N -0.426 120.004 120.570 -0.235 0.000 2.315 435 I HA -0.330 3.851 4.170 0.019 0.000 0.248 435 I C 2.078 178.103 176.117 -0.153 0.000 1.117 435 I CA 0.845 62.042 61.300 -0.172 0.000 1.404 435 I CB -0.173 37.760 38.000 -0.113 0.000 1.071 435 I HN 0.299 nan 8.210 nan 0.000 0.419 436 C N 0.248 119.427 119.300 -0.202 0.000 2.440 436 C HA -0.129 4.343 4.460 0.019 0.000 0.278 436 C C 2.749 177.629 174.990 -0.183 0.000 1.295 436 C CA 0.732 59.635 59.018 -0.192 0.000 1.738 436 C CB -0.930 26.657 27.740 -0.257 0.000 1.987 436 C HN 0.526 nan 8.230 nan 0.000 0.492 437 E N 0.564 120.624 120.200 -0.233 0.000 2.046 437 E HA -0.125 4.237 4.350 0.019 0.000 0.190 437 E C 1.923 178.482 176.600 -0.067 0.000 0.982 437 E CA 1.077 57.387 56.400 -0.151 0.000 0.800 437 E CB -0.022 29.607 29.700 -0.120 0.000 0.756 437 E HN 0.606 nan 8.360 nan 0.000 0.449 438 L N -0.073 121.108 121.223 -0.070 0.000 2.221 438 L HA 0.100 4.451 4.340 0.019 0.000 0.202 438 L C 1.005 177.851 176.870 -0.041 0.000 1.074 438 L CA 0.352 55.165 54.840 -0.044 0.000 0.795 438 L CB 0.315 42.342 42.059 -0.053 0.000 0.960 438 L HN 0.065 nan 8.230 nan 0.000 0.458 439 L N 1.129 122.318 121.223 -0.057 0.000 2.679 439 L HA 0.244 4.595 4.340 0.019 0.000 0.238 439 L C -1.483 175.367 176.870 -0.033 0.000 1.330 439 L CA -1.096 53.722 54.840 -0.036 0.000 0.935 439 L CB 0.654 42.692 42.059 -0.035 0.000 1.243 439 L HN -0.115 nan 8.230 nan 0.000 0.484 440 P HA -0.244 nan 4.420 nan 0.000 0.216 440 P C 0.937 178.232 177.300 -0.007 0.000 1.157 440 P CA 1.528 64.613 63.100 -0.025 0.000 0.880 440 P CB 0.439 32.131 31.700 -0.013 0.000 0.791 441 E N -0.183 120.019 120.200 0.003 0.000 2.301 441 E HA -0.196 4.166 4.350 0.019 0.000 0.202 441 E C 2.043 178.660 176.600 0.028 0.000 1.017 441 E CA 1.337 57.745 56.400 0.014 0.000 0.831 441 E CB -0.437 29.272 29.700 0.016 0.000 0.742 441 E HN 0.344 nan 8.360 nan 0.000 0.491 442 A N 0.518 123.355 122.820 0.028 0.000 2.030 442 A HA 0.259 4.591 4.320 0.019 0.000 0.215 442 A C 2.195 179.820 177.584 0.069 0.000 1.164 442 A CA 0.879 52.951 52.037 0.059 0.000 0.697 442 A CB -0.010 19.019 19.000 0.049 0.000 0.827 442 A HN 0.268 nan 8.150 nan 0.000 0.457 443 A N 0.028 122.861 122.820 0.021 0.000 1.861 443 A HA 0.227 4.559 4.320 0.019 0.000 0.212 443 A C 0.825 178.418 177.584 0.015 0.000 1.199 443 A CA 0.630 52.671 52.037 0.007 0.000 0.613 443 A CB -0.435 18.537 19.000 -0.045 0.000 0.846 443 A HN 0.335 nan 8.150 nan 0.000 0.446 444 I N 1.927 122.499 120.570 0.004 0.000 2.366 444 I HA 0.137 4.318 4.170 0.019 0.000 0.302 444 I C 0.020 176.144 176.117 0.011 0.000 1.194 444 I CA 0.200 61.500 61.300 -0.000 0.000 1.667 444 I CB -0.937 37.062 38.000 -0.001 0.000 1.501 444 I HN 0.237 nan 8.210 nan 0.000 0.776 445 N N 2.710 121.421 118.700 0.019 0.000 2.229 445 N HA 0.214 4.965 4.740 0.019 0.000 0.298 445 N C -0.078 175.416 175.510 -0.026 0.000 1.114 445 N CA -0.470 52.586 53.050 0.009 0.000 0.776 445 N CB 2.144 40.663 38.487 0.054 0.000 1.501 445 N HN 0.220 nan 8.380 nan 0.000 0.474 446 D N 1.768 122.138 120.400 -0.051 0.000 2.332 446 D HA 0.039 4.690 4.640 0.019 0.000 0.244 446 D C 1.091 177.318 176.300 -0.123 0.000 1.136 446 D CA 0.512 54.472 54.000 -0.067 0.000 0.884 446 D CB 0.880 41.647 40.800 -0.055 0.000 0.906 446 D HN 0.198 nan 8.370 nan 0.000 0.520 447 V N -0.777 119.017 119.914 -0.200 0.000 3.058 447 V HA -0.042 4.090 4.120 0.019 0.000 0.233 447 V C 0.987 176.826 176.094 -0.426 0.000 1.255 447 V CA 0.301 62.357 62.300 -0.407 0.000 1.267 447 V CB 0.079 31.446 31.823 -0.760 0.000 1.049 447 V HN 0.028 nan 8.190 nan 0.000 0.486 448 Y N -0.783 119.507 120.300 -0.017 0.000 2.458 448 Y HA 0.278 4.841 4.550 0.021 0.000 0.254 448 Y C 1.707 177.589 175.900 -0.031 0.000 1.120 448 Y CA -0.376 57.712 58.100 -0.021 0.000 1.282 448 Y CB -0.087 38.361 38.460 -0.019 0.000 1.109 448 Y HN 0.132 nan 8.280 nan 0.000 0.526 449 L N 0.832 122.101 121.223 0.077 0.000 1.971 449 L HA -0.255 4.097 4.340 0.019 0.000 0.215 449 L C 2.475 179.353 176.870 0.014 0.000 1.072 449 L CA 2.262 57.119 54.840 0.028 0.000 0.758 449 L CB -0.878 41.180 42.059 -0.002 0.000 0.889 449 L HN 0.184 nan 8.230 nan 0.000 0.433 450 A N 0.143 122.969 122.820 0.011 0.000 1.892 450 A HA -0.149 4.183 4.320 0.019 0.000 0.218 450 A C 0.019 177.614 177.584 0.017 0.000 1.188 450 A CA 2.129 54.172 52.037 0.010 0.000 0.631 450 A CB -2.234 16.769 19.000 0.004 0.000 0.822 450 A HN 0.556 nan 8.150 nan 0.000 0.447 451 P HA -0.058 nan 4.420 nan 0.000 0.222 451 P C 1.568 178.877 177.300 0.014 0.000 1.153 451 P CA 0.830 63.951 63.100 0.035 0.000 0.798 451 P CB -0.057 31.684 31.700 0.068 0.000 0.796 452 L N -0.239 120.990 121.223 0.009 0.000 2.044 452 L HA -0.020 4.331 4.340 0.019 0.000 0.205 452 L C 2.517 179.326 176.870 -0.101 0.000 1.075 452 L CA 1.513 56.327 54.840 -0.044 0.000 0.747 452 L CB -1.494 40.542 42.059 -0.038 0.000 0.903 452 L HN -0.208 nan 8.230 nan 0.000 0.435 453 L N -0.667 120.511 121.223 -0.075 0.000 2.083 453 L HA -0.227 4.124 4.340 0.019 0.000 0.209 453 L C 2.705 179.556 176.870 -0.032 0.000 1.083 453 L CA 1.536 56.328 54.840 -0.080 0.000 0.752 453 L CB -0.503 41.559 42.059 0.005 0.000 0.899 453 L HN 0.494 nan 8.230 nan 0.000 0.433 454 Q N -0.760 119.035 119.800 -0.008 0.000 2.119 454 Q HA -0.222 4.129 4.340 0.019 0.000 0.201 454 Q C 2.477 178.475 176.000 -0.003 0.000 0.972 454 Q CA 1.761 57.572 55.803 0.013 0.000 0.847 454 Q CB -0.056 28.691 28.738 0.014 0.000 0.903 454 Q HN 0.582 nan 8.270 nan 0.000 0.433 455 C N 0.262 119.542 119.300 -0.034 0.000 2.413 455 C HA -0.142 4.330 4.460 0.019 0.000 0.276 455 C C 2.589 177.546 174.990 -0.054 0.000 1.248 455 C CA 0.684 59.678 59.018 -0.040 0.000 1.742 455 C CB -0.988 26.721 27.740 -0.051 0.000 2.017 455 C HN 0.505 nan 8.230 nan 0.000 0.481 456 L N -0.071 121.068 121.223 -0.140 0.000 2.179 456 L HA -0.040 4.312 4.340 0.019 0.000 0.208 456 L C 2.280 179.203 176.870 0.088 0.000 1.096 456 L CA 1.197 55.911 54.840 -0.210 0.000 0.779 456 L CB -0.492 41.056 42.059 -0.852 0.000 0.922 456 L HN 0.320 nan 8.230 nan 0.000 0.443 457 I N -0.136 120.538 120.570 0.174 0.000 2.252 457 I HA -0.242 3.940 4.170 0.019 0.000 0.245 457 I C 2.377 178.570 176.117 0.127 0.000 1.102 457 I CA 1.346 62.798 61.300 0.253 0.000 1.385 457 I CB -0.244 37.863 38.000 0.179 0.000 1.064 457 I HN 0.268 nan 8.210 nan 0.000 0.414 458 E N 0.787 121.032 120.200 0.074 0.000 2.107 458 E HA -0.112 4.249 4.350 0.019 0.000 0.191 458 E C 2.344 178.973 176.600 0.048 0.000 0.982 458 E CA 0.999 57.426 56.400 0.046 0.000 0.809 458 E CB -0.330 29.387 29.700 0.028 0.000 0.756 458 E HN 0.570 nan 8.360 nan 0.000 0.459 459 G N 1.408 110.240 108.800 0.053 0.000 2.479 459 G HA2 -0.233 3.738 3.960 0.019 0.000 0.220 459 G HA3 -0.233 3.738 3.960 0.019 0.000 0.220 459 G C 1.475 176.419 174.900 0.073 0.000 1.115 459 G CA 0.434 45.566 45.100 0.053 0.000 0.757 459 G HN 0.120 nan 8.290 nan 0.000 0.560 460 L N 0.611 121.891 121.223 0.096 0.000 2.551 460 L HA 0.073 4.425 4.340 0.019 0.000 0.228 460 L C 2.084 178.979 176.870 0.041 0.000 1.153 460 L CA 0.506 55.396 54.840 0.082 0.000 0.851 460 L CB 0.255 42.364 42.059 0.085 0.000 0.959 460 L HN 0.098 nan 8.230 nan 0.000 0.451 461 S N -0.851 114.870 115.700 0.035 0.000 2.539 461 S HA 0.340 4.821 4.470 0.019 0.000 0.221 461 S C 1.054 175.664 174.600 0.017 0.000 0.987 461 S CA 0.031 58.242 58.200 0.019 0.000 0.929 461 S CB 0.405 63.614 63.200 0.014 0.000 0.832 461 S HN 0.354 nan 8.310 nan 0.000 0.492 462 A N 1.859 124.692 122.820 0.022 0.000 2.398 462 A HA 0.437 4.769 4.320 0.019 0.000 0.264 462 A C 0.248 177.839 177.584 0.010 0.000 1.564 462 A CA -0.188 51.858 52.037 0.015 0.000 0.828 462 A CB -0.085 18.927 19.000 0.020 0.000 1.444 462 A HN 0.328 nan 8.150 nan 0.000 0.565 463 E N -0.072 120.130 120.200 0.004 0.000 2.349 463 E HA 0.330 4.691 4.350 0.019 0.000 0.265 463 E C -2.054 174.549 176.600 0.006 0.000 1.064 463 E CA -1.460 54.939 56.400 -0.002 0.000 0.886 463 E CB 0.282 29.972 29.700 -0.016 0.000 1.036 463 E HN 0.264 nan 8.360 nan 0.000 0.413 464 P HA -0.242 nan 4.420 nan 0.000 0.217 464 P C 0.708 178.013 177.300 0.007 0.000 1.148 464 P CA 1.485 64.589 63.100 0.007 0.000 0.834 464 P CB 0.114 31.812 31.700 -0.003 0.000 0.783 465 R N -1.265 119.233 120.500 -0.004 0.000 2.276 465 R HA 0.050 4.402 4.340 0.019 0.000 0.203 465 R C 1.132 177.444 176.300 0.020 0.000 1.017 465 R CA 0.928 57.026 56.100 -0.004 0.000 1.010 465 R CB -0.738 29.548 30.300 -0.024 0.000 0.900 465 R HN 0.137 nan 8.270 nan 0.000 0.469 466 V N 0.526 120.457 119.914 0.029 0.000 2.908 466 V HA 0.152 4.284 4.120 0.019 0.000 0.240 466 V C 2.488 178.626 176.094 0.074 0.000 1.117 466 V CA 1.074 63.405 62.300 0.052 0.000 1.133 466 V CB 0.117 31.961 31.823 0.035 0.000 0.857 466 V HN 0.379 nan 8.190 nan 0.000 0.478 467 A N 0.023 122.879 122.820 0.059 0.000 1.908 467 A HA -0.239 4.092 4.320 0.019 0.000 0.218 467 A C 2.509 180.148 177.584 0.093 0.000 1.181 467 A CA 2.374 54.453 52.037 0.070 0.000 0.627 467 A CB -0.776 18.253 19.000 0.047 0.000 0.818 467 A HN 0.451 nan 8.150 nan 0.000 0.445 468 S N -0.112 115.637 115.700 0.081 0.000 2.382 468 S HA -0.179 4.302 4.470 0.019 0.000 0.228 468 S C 1.872 176.564 174.600 0.152 0.000 1.027 468 S CA 1.753 60.010 58.200 0.095 0.000 0.991 468 S CB -0.513 62.722 63.200 0.058 0.000 0.823 468 S HN 0.653 nan 8.310 nan 0.000 0.469 469 N N 0.880 119.679 118.700 0.165 0.000 2.250 469 N HA 0.030 4.781 4.740 0.019 0.000 0.181 469 N C 1.706 177.399 175.510 0.305 0.000 1.017 469 N CA 1.165 54.370 53.050 0.258 0.000 0.866 469 N CB -0.768 37.864 38.487 0.242 0.000 0.985 469 N HN 0.245 nan 8.380 nan 0.000 0.429 470 V N 0.709 120.749 119.914 0.210 0.000 2.392 470 V HA -0.295 3.836 4.120 0.019 0.000 0.249 470 V C 2.371 178.605 176.094 0.233 0.000 1.059 470 V CA 1.249 63.653 62.300 0.173 0.000 1.051 470 V CB -0.747 31.158 31.823 0.135 0.000 0.658 470 V HN 0.372 nan 8.190 nan 0.000 0.455 471 C N -1.114 118.341 119.300 0.258 0.000 2.413 471 C HA -0.231 4.241 4.460 0.019 0.000 0.276 471 C C 2.477 177.640 174.990 0.289 0.000 1.236 471 C CA 0.993 60.172 59.018 0.268 0.000 1.735 471 C CB -1.222 26.632 27.740 0.190 0.000 2.031 471 C HN 0.877 nan 8.230 nan 0.000 0.474 472 W N 1.864 123.240 121.300 0.126 0.000 2.363 472 W HA -0.069 4.602 4.660 0.019 0.000 0.296 472 W C 2.373 178.947 176.519 0.092 0.000 1.212 472 W CA 1.665 59.075 57.345 0.108 0.000 1.260 472 W CB -0.483 29.043 29.460 0.109 0.000 1.131 472 W HN 0.285 nan 8.180 nan 0.000 0.530 473 A N -0.376 122.449 122.820 0.008 0.000 1.933 473 A HA -0.158 4.174 4.320 0.019 0.000 0.218 473 A C 1.890 179.333 177.584 -0.234 0.000 1.175 473 A CA 1.554 53.432 52.037 -0.265 0.000 0.628 473 A CB -1.284 17.654 19.000 -0.103 0.000 0.814 473 A HN 0.364 nan 8.150 nan 0.000 0.444 474 F N 1.267 121.147 119.950 -0.116 0.000 2.060 474 F HA -0.160 4.379 4.527 0.020 0.000 0.295 474 F C 3.063 178.800 175.800 -0.105 0.000 1.120 474 F CA 1.701 59.648 58.000 -0.088 0.000 1.205 474 F CB -0.609 38.366 39.000 -0.042 0.000 0.986 474 F HN 0.357 nan 8.300 nan 0.000 0.470 475 S N -1.402 114.379 115.700 0.134 0.000 2.383 475 S HA -0.192 4.289 4.470 0.019 0.000 0.229 475 S C 2.144 176.704 174.600 -0.067 0.000 1.030 475 S CA 1.599 59.827 58.200 0.045 0.000 1.002 475 S CB -0.930 62.303 63.200 0.055 0.000 0.829 475 S HN 0.264 nan 8.310 nan 0.000 0.467 476 S N 1.519 117.055 115.700 -0.274 0.000 2.406 476 S HA 0.125 4.607 4.470 0.019 0.000 0.228 476 S C 1.652 176.140 174.600 -0.186 0.000 1.020 476 S CA 0.925 58.918 58.200 -0.344 0.000 0.965 476 S CB -0.468 62.271 63.200 -0.768 0.000 0.798 476 S HN 0.480 nan 8.310 nan 0.000 0.488 477 L N 1.907 123.044 121.223 -0.144 0.000 2.044 477 L HA 0.149 4.500 4.340 0.019 0.000 0.205 477 L C 2.297 179.185 176.870 0.029 0.000 1.075 477 L CA 1.799 56.595 54.840 -0.073 0.000 0.747 477 L CB -1.030 40.974 42.059 -0.091 0.000 0.903 477 L HN 0.210 nan 8.230 nan 0.000 0.435 478 A N -0.711 122.171 122.820 0.103 0.000 1.902 478 A HA -0.204 4.128 4.320 0.019 0.000 0.217 478 A C 2.145 179.870 177.584 0.235 0.000 1.181 478 A CA 1.724 53.886 52.037 0.209 0.000 0.623 478 A CB -0.639 18.515 19.000 0.257 0.000 0.818 478 A HN 0.608 nan 8.150 nan 0.000 0.443 479 E N -0.192 120.084 120.200 0.127 0.000 2.058 479 E HA -0.167 4.195 4.350 0.019 0.000 0.194 479 E C 2.366 179.071 176.600 0.175 0.000 0.997 479 E CA 1.030 57.501 56.400 0.118 0.000 0.801 479 E CB -0.320 29.408 29.700 0.046 0.000 0.746 479 E HN 0.622 nan 8.360 nan 0.000 0.450 480 A N 1.652 124.536 122.820 0.107 0.000 1.865 480 A HA -0.159 4.173 4.320 0.019 0.000 0.217 480 A C 2.448 180.113 177.584 0.136 0.000 1.191 480 A CA 1.882 53.973 52.037 0.090 0.000 0.623 480 A CB -0.799 18.216 19.000 0.025 0.000 0.826 480 A HN 0.304 nan 8.150 nan 0.000 0.444 481 A N -1.585 121.328 122.820 0.155 0.000 1.940 481 A HA -0.168 4.163 4.320 0.019 0.000 0.219 481 A C 2.157 179.955 177.584 0.357 0.000 1.176 481 A CA 1.837 53.980 52.037 0.178 0.000 0.631 481 A CB -0.835 18.195 19.000 0.049 0.000 0.814 481 A HN 0.801 nan 8.150 nan 0.000 0.446 482 Y N 0.478 120.977 120.300 0.330 0.000 2.133 482 Y HA -0.167 4.394 4.550 0.019 0.000 0.287 482 Y C 2.298 178.256 175.900 0.097 0.000 1.134 482 Y CA 2.192 60.417 58.100 0.208 0.000 1.133 482 Y CB -0.267 38.249 38.460 0.094 0.000 0.987 482 Y HN 0.437 nan 8.280 nan 0.000 0.502 483 E N -0.094 120.247 120.200 0.234 0.000 2.153 483 E HA -0.199 4.163 4.350 0.019 0.000 0.194 483 E C 2.070 178.677 176.600 0.012 0.000 0.988 483 E CA 0.852 57.311 56.400 0.098 0.000 0.811 483 E CB -0.269 29.509 29.700 0.130 0.000 0.746 483 E HN 0.571 nan 8.360 nan 0.000 0.466 484 A N 0.407 123.252 122.820 0.041 0.000 2.235 484 A HA 0.158 4.490 4.320 0.019 0.000 0.208 484 A C 1.945 179.526 177.584 -0.005 0.000 1.172 484 A CA 1.116 53.165 52.037 0.020 0.000 0.786 484 A CB -0.030 18.992 19.000 0.037 0.000 0.804 484 A HN 0.263 nan 8.150 nan 0.000 0.479 485 A N 0.115 122.909 122.820 -0.043 0.000 1.984 485 A HA 0.127 4.458 4.320 0.019 0.000 0.203 485 A C 1.198 178.687 177.584 -0.159 0.000 1.292 485 A CA 0.815 52.805 52.037 -0.077 0.000 0.782 485 A CB 0.060 19.031 19.000 -0.050 0.000 0.924 485 A HN 0.482 nan 8.150 nan 0.000 0.475 486 D N 0.898 121.132 120.400 -0.276 0.000 3.168 486 D HA 0.189 4.841 4.640 0.019 0.000 0.255 486 D C 0.771 176.985 176.300 -0.143 0.000 1.314 486 D CA -0.074 53.768 54.000 -0.264 0.000 0.900 486 D CB 0.219 40.740 40.800 -0.465 0.000 1.072 486 D HN 0.082 nan 8.370 nan 0.000 0.487 487 V N 0.468 120.328 119.914 -0.089 0.000 2.307 487 V HA 0.048 4.180 4.120 0.019 0.000 0.245 487 V C 1.364 177.433 176.094 -0.042 0.000 1.045 487 V CA 1.680 63.951 62.300 -0.048 0.000 1.024 487 V CB -0.526 31.278 31.823 -0.031 0.000 0.651 487 V HN 0.710 nan 8.190 nan 0.000 0.449 488 A N -0.319 122.471 122.820 -0.049 0.000 2.480 488 A HA 0.434 4.765 4.320 0.019 0.000 0.302 488 A C -0.809 176.749 177.584 -0.043 0.000 1.151 488 A CA -0.436 51.577 52.037 -0.040 0.000 0.907 488 A CB 0.221 19.206 19.000 -0.026 0.000 1.487 488 A HN 0.201 nan 8.150 nan 0.000 0.396 489 D N 1.060 121.428 120.400 -0.053 0.000 2.462 489 D HA 0.196 4.848 4.640 0.019 0.000 0.221 489 D C 0.399 176.674 176.300 -0.042 0.000 1.173 489 D CA 0.647 54.616 54.000 -0.051 0.000 0.831 489 D CB 0.526 41.285 40.800 -0.070 0.000 1.001 489 D HN 0.542 nan 8.370 nan 0.000 0.499 490 D N -0.603 119.776 120.400 -0.036 0.000 2.332 490 D HA -0.186 4.466 4.640 0.019 0.000 0.166 490 D C 0.636 176.918 176.300 -0.030 0.000 1.574 490 D CA 1.426 55.409 54.000 -0.029 0.000 1.598 490 D CB -0.324 40.461 40.800 -0.026 0.000 1.354 490 D HN 0.278 nan 8.370 nan 0.000 0.481 491 Q N -0.137 119.641 119.800 -0.037 0.000 2.293 491 Q HA 0.398 4.750 4.340 0.019 0.000 0.216 491 Q C 1.479 177.458 176.000 -0.034 0.000 1.003 491 Q CA 0.007 55.789 55.803 -0.035 0.000 0.995 491 Q CB 0.806 29.519 28.738 -0.040 0.000 1.172 491 Q HN 0.285 nan 8.270 nan 0.000 0.518 492 E N -0.442 119.743 120.200 -0.025 0.000 2.170 492 E HA -0.030 4.332 4.350 0.019 0.000 0.191 492 E C -0.147 176.453 176.600 -0.000 0.000 0.981 492 E CA 0.593 56.989 56.400 -0.007 0.000 0.830 492 E CB 0.423 30.124 29.700 0.002 0.000 0.775 492 E HN 0.485 nan 8.360 nan 0.000 0.470 493 E N 1.804 121.989 120.200 -0.024 0.000 2.227 493 E HA 0.305 4.666 4.350 0.019 0.000 0.268 493 E C -2.467 174.070 176.600 -0.104 0.000 0.907 493 E CA -2.977 53.407 56.400 -0.027 0.000 0.786 493 E CB 1.915 31.610 29.700 -0.009 0.000 1.191 493 E HN -0.082 nan 8.360 nan 0.000 0.411 494 P HA 0.154 nan 4.420 nan 0.000 0.279 494 P C -0.361 176.860 177.300 -0.132 0.000 1.252 494 P CA -0.121 62.859 63.100 -0.200 0.000 0.811 494 P CB 1.668 33.162 31.700 -0.343 0.000 1.035 495 A N 1.654 124.418 122.820 -0.092 0.000 1.854 495 A HA 0.071 4.402 4.320 0.019 0.000 0.214 495 A C 1.100 178.660 177.584 -0.041 0.000 1.192 495 A CA 1.903 53.905 52.037 -0.059 0.000 0.611 495 A CB -0.833 18.145 19.000 -0.038 0.000 0.832 495 A HN 0.676 nan 8.150 nan 0.000 0.442 496 T N -1.339 113.208 114.554 -0.012 0.000 3.579 496 T HA 0.470 4.832 4.350 0.019 0.000 0.360 496 T C -1.536 173.266 174.700 0.169 0.000 1.285 496 T CA -0.688 61.451 62.100 0.066 0.000 1.127 496 T CB 0.660 69.570 68.868 0.070 0.000 1.244 496 T HN 0.702 nan 8.240 nan 0.000 0.476 497 Y N 1.479 121.776 120.300 -0.005 0.000 2.457 497 Y HA 0.651 5.213 4.550 0.019 0.000 0.333 497 Y C 0.416 176.339 175.900 0.038 0.000 1.119 497 Y CA -2.545 55.563 58.100 0.013 0.000 1.143 497 Y CB 0.046 38.528 38.460 0.036 0.000 1.230 497 Y HN 0.620 nan 8.280 nan 0.000 0.469 498 C N 4.435 123.717 119.300 -0.031 0.000 3.630 498 C HA 0.223 4.695 4.460 0.019 0.000 0.553 498 C C 1.009 175.810 174.990 -0.315 0.000 1.195 498 C CA -0.110 58.837 59.018 -0.118 0.000 1.276 498 C CB -2.914 24.791 27.740 -0.059 0.000 1.521 498 C HN 0.703 nan 8.230 nan 0.000 0.641 499 L N -0.656 120.175 121.223 -0.653 0.000 3.439 499 L HA 0.127 4.478 4.340 0.019 0.000 0.313 499 L C 1.583 178.419 176.870 -0.057 0.000 1.292 499 L CA 0.152 54.752 54.840 -0.399 0.000 1.020 499 L CB -0.166 41.607 42.059 -0.476 0.000 1.424 499 L HN 0.154 nan 8.230 nan 0.000 0.612 500 S N -0.261 115.484 115.700 0.075 0.000 2.406 500 S HA -0.130 4.351 4.470 0.019 0.000 0.228 500 S C 1.974 176.681 174.600 0.178 0.000 1.020 500 S CA 1.556 59.904 58.200 0.246 0.000 0.965 500 S CB 0.148 63.483 63.200 0.225 0.000 0.798 500 S HN 0.435 nan 8.310 nan 0.000 0.488 501 S N 0.616 116.382 115.700 0.111 0.000 2.522 501 S HA 0.106 4.587 4.470 0.019 0.000 0.227 501 S C 1.335 175.992 174.600 0.095 0.000 0.986 501 S CA 0.531 58.785 58.200 0.089 0.000 0.929 501 S CB -0.055 63.178 63.200 0.055 0.000 0.769 501 S HN 0.397 nan 8.310 nan 0.000 0.529 502 S N -0.091 115.677 115.700 0.114 0.000 2.666 502 S HA 0.282 4.764 4.470 0.019 0.000 0.239 502 S C 0.816 175.479 174.600 0.105 0.000 1.031 502 S CA -0.509 57.746 58.200 0.092 0.000 1.015 502 S CB -0.237 63.006 63.200 0.071 0.000 0.981 502 S HN 0.548 nan 8.310 nan 0.000 0.547 503 F N 3.650 123.626 119.950 0.044 0.000 2.045 503 F HA -0.279 4.259 4.527 0.019 0.000 0.297 503 F C 2.410 178.214 175.800 0.006 0.000 1.114 503 F CA 2.321 60.351 58.000 0.050 0.000 1.207 503 F CB -0.260 38.809 39.000 0.115 0.000 0.964 503 F HN 0.181 nan 8.300 nan 0.000 0.486 504 E N 0.250 120.505 120.200 0.093 0.000 2.118 504 E HA -0.237 4.125 4.350 0.019 0.000 0.195 504 E C 1.973 178.515 176.600 -0.097 0.000 0.992 504 E CA 1.528 57.925 56.400 -0.005 0.000 0.804 504 E CB -0.675 29.067 29.700 0.070 0.000 0.741 504 E HN 0.448 nan 8.360 nan 0.000 0.458 505 L N -0.134 121.047 121.223 -0.071 0.000 2.072 505 L HA -0.059 4.293 4.340 0.019 0.000 0.205 505 L C 1.944 178.722 176.870 -0.153 0.000 1.079 505 L CA 1.297 56.091 54.840 -0.077 0.000 0.752 505 L CB -0.462 41.582 42.059 -0.025 0.000 0.906 505 L HN 0.151 nan 8.230 nan 0.000 0.436 506 I N -0.106 120.327 120.570 -0.228 0.000 2.099 506 I HA -0.229 3.953 4.170 0.019 0.000 0.239 506 I C 2.735 178.568 176.117 -0.473 0.000 1.066 506 I CA 1.887 62.951 61.300 -0.394 0.000 1.324 506 I CB -1.777 35.938 38.000 -0.476 0.000 1.037 506 I HN 0.347 nan 8.210 nan 0.000 0.401 507 V N 1.156 120.734 119.914 -0.559 0.000 2.282 507 V HA -0.326 3.806 4.120 0.019 0.000 0.249 507 V C 2.520 178.439 176.094 -0.292 0.000 1.057 507 V CA 2.283 64.298 62.300 -0.475 0.000 1.032 507 V CB -1.733 29.772 31.823 -0.529 0.000 0.645 507 V HN 0.639 nan 8.190 nan 0.000 0.447 508 Q N 0.546 120.214 119.800 -0.220 0.000 2.226 508 Q HA -0.259 4.093 4.340 0.019 0.000 0.204 508 Q C 2.133 178.045 176.000 -0.145 0.000 0.975 508 Q CA 2.118 57.831 55.803 -0.151 0.000 0.866 508 Q CB -0.454 28.221 28.738 -0.104 0.000 0.915 508 Q HN 0.543 nan 8.270 nan 0.000 0.440 509 K N 0.726 121.028 120.400 -0.163 0.000 2.097 509 K HA 0.050 4.382 4.320 0.019 0.000 0.205 509 K C 1.776 178.284 176.600 -0.154 0.000 1.050 509 K CA 1.060 57.267 56.287 -0.133 0.000 0.938 509 K CB -0.102 32.327 32.500 -0.119 0.000 0.718 509 K HN 0.308 nan 8.250 nan 0.000 0.442 510 L N -0.062 121.030 121.223 -0.217 0.000 2.291 510 L HA -0.036 4.316 4.340 0.019 0.000 0.214 510 L C 1.805 178.536 176.870 -0.232 0.000 1.120 510 L CA 0.508 55.214 54.840 -0.223 0.000 0.799 510 L CB -0.135 41.762 42.059 -0.271 0.000 0.925 510 L HN 0.132 nan 8.230 nan 0.000 0.446 511 L N -0.883 120.218 121.223 -0.203 0.000 2.313 511 L HA -0.099 4.252 4.340 0.019 0.000 0.214 511 L C 2.255 179.035 176.870 -0.151 0.000 1.119 511 L CA 0.846 55.574 54.840 -0.187 0.000 0.809 511 L CB -0.077 41.901 42.059 -0.134 0.000 0.933 511 L HN 0.283 nan 8.230 nan 0.000 0.449 512 E N -0.752 119.373 120.200 -0.124 0.000 2.057 512 E HA -0.093 4.269 4.350 0.019 0.000 0.190 512 E C 1.956 178.505 176.600 -0.085 0.000 0.969 512 E CA 1.190 57.538 56.400 -0.086 0.000 0.812 512 E CB 0.042 29.703 29.700 -0.065 0.000 0.777 512 E HN 0.277 nan 8.360 nan 0.000 0.455 513 T N 1.139 115.637 114.554 -0.094 0.000 2.897 513 T HA -0.152 4.209 4.350 0.019 0.000 0.271 513 T C 2.012 176.656 174.700 -0.094 0.000 1.084 513 T CA 1.716 63.772 62.100 -0.074 0.000 1.123 513 T CB -0.438 68.393 68.868 -0.062 0.000 0.865 513 T HN 0.358 nan 8.240 nan 0.000 0.496 514 T N -0.046 114.403 114.554 -0.175 0.000 2.915 514 T HA -0.061 4.301 4.350 0.019 0.000 0.269 514 T C 1.458 176.119 174.700 -0.064 0.000 1.071 514 T CA 0.900 62.855 62.100 -0.241 0.000 1.132 514 T CB -0.074 68.414 68.868 -0.634 0.000 0.878 514 T HN 0.237 nan 8.240 nan 0.000 0.479 515 D N 0.878 121.253 120.400 -0.042 0.000 2.349 515 D HA 0.125 4.776 4.640 0.019 0.000 0.214 515 D C 0.373 176.683 176.300 0.016 0.000 1.063 515 D CA -0.106 53.902 54.000 0.012 0.000 0.847 515 D CB 0.150 40.955 40.800 0.008 0.000 0.933 515 D HN 0.423 nan 8.370 nan 0.000 0.513 516 R N 2.179 122.681 120.500 0.004 0.000 2.488 516 R HA -0.017 4.334 4.340 0.019 0.000 0.317 516 R C -1.175 175.141 176.300 0.028 0.000 0.941 516 R CA -0.616 55.491 56.100 0.011 0.000 1.076 516 R CB 0.468 30.771 30.300 0.007 0.000 0.917 516 R HN 0.103 nan 8.270 nan 0.000 0.407 517 P HA -0.236 nan 4.420 nan 0.000 0.218 517 P C 0.185 177.512 177.300 0.045 0.000 1.152 517 P CA 1.471 64.592 63.100 0.035 0.000 0.857 517 P CB 0.071 31.787 31.700 0.025 0.000 0.787 518 D N -0.475 119.948 120.400 0.039 0.000 2.395 518 D HA 0.035 4.686 4.640 0.019 0.000 0.250 518 D C 1.756 178.089 176.300 0.056 0.000 1.203 518 D CA 0.210 54.237 54.000 0.045 0.000 0.872 518 D CB -1.366 39.451 40.800 0.027 0.000 0.941 518 D HN 0.152 nan 8.370 nan 0.000 0.504 519 G N 0.140 108.982 108.800 0.071 0.000 2.470 519 G HA2 -0.330 3.642 3.960 0.019 0.000 0.220 519 G HA3 -0.330 3.642 3.960 0.019 0.000 0.220 519 G C 1.457 176.423 174.900 0.110 0.000 1.121 519 G CA 0.572 45.721 45.100 0.082 0.000 0.766 519 G HN 0.447 nan 8.290 nan 0.000 0.553 520 H N 0.240 119.325 119.070 0.026 0.000 2.428 520 H HA 0.136 4.704 4.556 0.020 0.000 0.296 520 H C 1.311 176.650 175.328 0.018 0.000 1.062 520 H CA 0.567 56.627 56.048 0.021 0.000 1.350 520 H CB -0.051 29.718 29.762 0.012 0.000 1.403 520 H HN 0.327 nan 8.280 nan 0.000 0.533 521 Q N 1.131 120.883 119.800 -0.080 0.000 2.297 521 Q HA 0.050 4.402 4.340 0.019 0.000 0.267 521 Q C 0.016 175.957 176.000 -0.099 0.000 1.006 521 Q CA 0.248 55.974 55.803 -0.129 0.000 0.896 521 Q CB 0.392 29.106 28.738 -0.040 0.000 1.186 521 Q HN 0.516 nan 8.270 nan 0.000 0.392 522 N N 2.570 121.198 118.700 -0.119 0.000 2.725 522 N HA -0.258 4.493 4.740 0.019 0.000 0.249 522 N C -0.730 174.753 175.510 -0.045 0.000 1.103 522 N CA 0.905 53.913 53.050 -0.070 0.000 0.707 522 N CB -1.038 37.426 38.487 -0.038 0.000 1.043 522 N HN 0.869 nan 8.380 nan 0.000 0.553 523 N N -0.198 118.462 118.700 -0.066 0.000 2.705 523 N HA -0.199 4.553 4.740 0.019 0.000 0.255 523 N C 0.813 176.341 175.510 0.030 0.000 1.008 523 N CA 0.767 53.808 53.050 -0.014 0.000 0.742 523 N CB -0.888 37.596 38.487 -0.005 0.000 0.906 523 N HN 0.564 nan 8.380 nan 0.000 0.541 524 L N -0.253 120.990 121.223 0.033 0.000 2.049 524 L HA -0.013 4.338 4.340 0.019 0.000 0.203 524 L C 2.473 179.388 176.870 0.074 0.000 1.074 524 L CA 0.873 55.743 54.840 0.050 0.000 0.749 524 L CB -0.145 41.936 42.059 0.038 0.000 0.907 524 L HN 0.421 nan 8.230 nan 0.000 0.439 525 R N -0.507 120.053 120.500 0.101 0.000 2.122 525 R HA -0.207 4.144 4.340 0.019 0.000 0.236 525 R C 2.345 178.786 176.300 0.235 0.000 1.129 525 R CA 2.216 58.417 56.100 0.169 0.000 0.925 525 R CB -0.513 29.905 30.300 0.196 0.000 0.850 525 R HN 0.318 nan 8.270 nan 0.000 0.431 526 S N 0.270 116.079 115.700 0.181 0.000 2.372 526 S HA -0.166 4.315 4.470 0.019 0.000 0.227 526 S C 2.054 176.750 174.600 0.161 0.000 1.044 526 S CA 1.865 60.162 58.200 0.163 0.000 1.050 526 S CB -0.238 63.021 63.200 0.099 0.000 0.901 526 S HN 0.341 nan 8.310 nan 0.000 0.447 527 S N 1.314 117.089 115.700 0.125 0.000 2.383 527 S HA 0.027 4.509 4.470 0.019 0.000 0.227 527 S C 2.231 176.899 174.600 0.114 0.000 1.026 527 S CA 0.836 59.110 58.200 0.123 0.000 0.981 527 S CB -0.452 62.816 63.200 0.114 0.000 0.818 527 S HN 0.605 nan 8.310 nan 0.000 0.472 528 A N 0.362 123.229 122.820 0.079 0.000 1.902 528 A HA -0.075 4.257 4.320 0.019 0.000 0.217 528 A C 1.874 179.426 177.584 -0.054 0.000 1.181 528 A CA 1.311 53.338 52.037 -0.016 0.000 0.623 528 A CB -0.812 18.131 19.000 -0.095 0.000 0.818 528 A HN 0.538 nan 8.150 nan 0.000 0.443 529 Y N -0.542 119.771 120.300 0.022 0.000 2.286 529 Y HA -0.072 4.490 4.550 0.019 0.000 0.293 529 Y C 2.451 178.364 175.900 0.021 0.000 1.124 529 Y CA 1.512 59.620 58.100 0.013 0.000 1.178 529 Y CB -0.214 38.254 38.460 0.014 0.000 1.010 529 Y HN 0.467 nan 8.280 nan 0.000 0.536 530 E N 0.458 120.778 120.200 0.199 0.000 2.118 530 E HA -0.194 4.167 4.350 0.019 0.000 0.195 530 E C 2.143 178.812 176.600 0.115 0.000 0.992 530 E CA 1.808 58.293 56.400 0.142 0.000 0.804 530 E CB -0.287 29.496 29.700 0.137 0.000 0.741 530 E HN 0.384 nan 8.360 nan 0.000 0.458 531 S N -0.245 115.513 115.700 0.097 0.000 2.395 531 S HA -0.062 4.419 4.470 0.019 0.000 0.225 531 S C 2.147 176.758 174.600 0.018 0.000 1.027 531 S CA 0.733 58.974 58.200 0.068 0.000 0.965 531 S CB -0.533 62.703 63.200 0.060 0.000 0.812 531 S HN 0.348 nan 8.310 nan 0.000 0.482 532 L N 0.546 121.765 121.223 -0.006 0.000 2.046 532 L HA -0.063 4.289 4.340 0.019 0.000 0.208 532 L C 2.772 179.660 176.870 0.029 0.000 1.077 532 L CA 1.608 56.429 54.840 -0.031 0.000 0.747 532 L CB -0.383 41.645 42.059 -0.051 0.000 0.896 532 L HN 0.409 nan 8.230 nan 0.000 0.432 533 M N -1.156 118.482 119.600 0.063 0.000 2.086 533 M HA -0.247 4.244 4.480 0.019 0.000 0.261 533 M C 2.047 178.375 176.300 0.047 0.000 1.067 533 M CA 1.654 56.991 55.300 0.061 0.000 1.116 533 M CB -0.498 32.143 32.600 0.067 0.000 1.348 533 M HN 0.075 nan 8.290 nan 0.000 0.407 534 E N 0.671 120.900 120.200 0.050 0.000 2.204 534 E HA -0.084 4.278 4.350 0.019 0.000 0.194 534 E C 1.708 178.335 176.600 0.045 0.000 0.989 534 E CA 0.752 57.176 56.400 0.039 0.000 0.824 534 E CB -0.025 29.709 29.700 0.056 0.000 0.756 534 E HN 0.301 nan 8.360 nan 0.000 0.477 535 I N -0.296 120.313 120.570 0.065 0.000 2.876 535 I HA -0.078 4.104 4.170 0.019 0.000 0.264 535 I C 1.558 177.808 176.117 0.223 0.000 1.204 535 I CA 0.656 62.031 61.300 0.125 0.000 1.485 535 I CB -0.121 37.902 38.000 0.038 0.000 1.103 535 I HN 0.007 nan 8.210 nan 0.000 0.446 536 V N 1.254 121.262 119.914 0.157 0.000 2.535 536 V HA -0.196 3.936 4.120 0.019 0.000 0.246 536 V C 2.448 178.581 176.094 0.066 0.000 1.045 536 V CA 1.676 64.092 62.300 0.193 0.000 1.058 536 V CB -0.457 31.445 31.823 0.131 0.000 0.689 536 V HN 0.321 nan 8.190 nan 0.000 0.461 537 K N 1.194 121.596 120.400 0.005 0.000 2.002 537 K HA -0.107 4.225 4.320 0.019 0.000 0.209 537 K C 0.963 177.427 176.600 -0.228 0.000 1.048 537 K CA 1.523 57.759 56.287 -0.085 0.000 0.930 537 K CB -0.244 32.208 32.500 -0.081 0.000 0.714 537 K HN 0.378 nan 8.250 nan 0.000 0.438 538 N N 1.538 120.102 118.700 -0.227 0.000 2.663 538 N HA 0.060 4.812 4.740 0.019 0.000 0.250 538 N C -1.223 174.208 175.510 -0.132 0.000 1.129 538 N CA 0.238 53.041 53.050 -0.411 0.000 0.995 538 N CB 0.921 39.277 38.487 -0.218 0.000 1.324 538 N HN 0.402 nan 8.380 nan 0.000 0.512 539 S N -0.496 115.052 115.700 -0.253 0.000 2.570 539 S HA 0.710 5.191 4.470 0.019 0.000 0.270 539 S C -0.528 173.726 174.600 -0.577 0.000 1.149 539 S CA -1.030 56.898 58.200 -0.452 0.000 0.837 539 S CB 1.736 64.725 63.200 -0.352 0.000 1.124 539 S HN 0.362 nan 8.310 nan 0.000 0.465 540 A N 1.736 123.999 122.820 -0.929 0.000 2.386 540 A HA 0.476 4.807 4.320 0.019 0.000 0.248 540 A C 1.374 178.791 177.584 -0.278 0.000 1.082 540 A CA -0.137 51.593 52.037 -0.511 0.000 0.789 540 A CB 0.097 18.914 19.000 -0.306 0.000 1.025 540 A HN 1.079 nan 8.150 nan 0.000 0.490 541 K N 0.601 120.905 120.400 -0.161 0.000 2.283 541 K HA -0.130 4.202 4.320 0.019 0.000 0.202 541 K C 0.006 176.568 176.600 -0.064 0.000 1.048 541 K CA 1.545 57.769 56.287 -0.105 0.000 0.948 541 K CB -0.102 32.341 32.500 -0.095 0.000 0.742 541 K HN 0.690 nan 8.250 nan 0.000 0.458 542 D N 0.313 120.674 120.400 -0.065 0.000 2.413 542 D HA -0.007 4.645 4.640 0.019 0.000 0.237 542 D C 0.353 176.635 176.300 -0.031 0.000 1.171 542 D CA -0.310 53.679 54.000 -0.018 0.000 0.839 542 D CB -0.347 40.454 40.800 0.002 0.000 0.950 542 D HN 0.248 nan 8.370 nan 0.000 0.499 543 C N -0.933 118.296 119.300 -0.119 0.000 3.491 543 C HA 0.151 4.623 4.460 0.019 0.000 0.298 543 C C 1.675 176.586 174.990 -0.131 0.000 1.424 543 C CA -0.769 58.096 59.018 -0.254 0.000 1.772 543 C CB -1.534 25.670 27.740 -0.894 0.000 2.447 543 C HN 0.348 nan 8.230 nan 0.000 0.670 544 Y N 4.444 124.657 120.300 -0.146 0.000 2.053 544 Y HA -0.144 4.417 4.550 0.019 0.000 0.277 544 Y C -0.435 175.456 175.900 -0.015 0.000 1.159 544 Y CA 2.141 60.195 58.100 -0.076 0.000 1.125 544 Y CB -1.482 36.945 38.460 -0.056 0.000 0.969 544 Y HN 0.234 nan 8.280 nan 0.000 0.492 545 P HA -0.190 nan 4.420 nan 0.000 0.220 545 P C 0.901 178.149 177.300 -0.086 0.000 1.144 545 P CA 2.241 65.270 63.100 -0.118 0.000 0.800 545 P CB -0.293 31.408 31.700 0.002 0.000 0.772 546 A N -0.693 122.132 122.820 0.007 0.000 2.081 546 A HA 0.075 4.406 4.320 0.019 0.000 0.214 546 A C 2.248 179.908 177.584 0.126 0.000 1.158 546 A CA 0.592 52.701 52.037 0.120 0.000 0.724 546 A CB -0.933 18.271 19.000 0.340 0.000 0.826 546 A HN 0.065 nan 8.150 nan 0.000 0.463 547 V N -0.173 119.763 119.914 0.035 0.000 2.649 547 V HA -0.192 3.939 4.120 0.019 0.000 0.248 547 V C 2.460 178.485 176.094 -0.116 0.000 1.054 547 V CA 1.597 63.914 62.300 0.029 0.000 1.073 547 V CB -0.588 31.255 31.823 0.033 0.000 0.699 547 V HN 0.582 nan 8.190 nan 0.000 0.463 548 Q N 0.266 119.888 119.800 -0.297 0.000 1.993 548 Q HA -0.281 4.071 4.340 0.019 0.000 0.202 548 Q C 2.352 178.274 176.000 -0.130 0.000 0.984 548 Q CA 2.020 57.654 55.803 -0.281 0.000 0.837 548 Q CB -0.290 28.229 28.738 -0.365 0.000 0.902 548 Q HN 0.517 nan 8.270 nan 0.000 0.423 549 K N 0.064 120.404 120.400 -0.099 0.000 2.059 549 K HA -0.199 4.132 4.320 0.019 0.000 0.212 549 K C 2.074 178.651 176.600 -0.038 0.000 1.050 549 K CA 1.946 58.201 56.287 -0.054 0.000 0.927 549 K CB -0.099 32.379 32.500 -0.035 0.000 0.714 549 K HN 0.172 nan 8.250 nan 0.000 0.447 550 T N 0.161 114.700 114.554 -0.026 0.000 2.759 550 T HA -0.115 4.247 4.350 0.019 0.000 0.269 550 T C 1.729 176.420 174.700 -0.014 0.000 1.042 550 T CA 1.880 63.969 62.100 -0.019 0.000 1.140 550 T CB -0.373 68.493 68.868 -0.003 0.000 0.864 550 T HN 0.381 nan 8.240 nan 0.000 0.455 551 T N 2.269 116.810 114.554 -0.021 0.000 2.867 551 T HA 0.125 4.486 4.350 0.019 0.000 0.268 551 T C 1.917 176.604 174.700 -0.022 0.000 1.057 551 T CA 0.633 62.723 62.100 -0.017 0.000 1.136 551 T CB -0.312 68.539 68.868 -0.027 0.000 0.874 551 T HN 0.296 nan 8.240 nan 0.000 0.466 552 L N 0.692 121.896 121.223 -0.031 0.000 2.201 552 L HA -0.014 4.337 4.340 0.019 0.000 0.212 552 L C 2.471 179.328 176.870 -0.021 0.000 1.105 552 L CA 0.643 55.466 54.840 -0.029 0.000 0.775 552 L CB -0.536 41.503 42.059 -0.033 0.000 0.913 552 L HN 0.161 nan 8.230 nan 0.000 0.440 553 V N -0.044 119.860 119.914 -0.017 0.000 2.591 553 V HA -0.180 3.952 4.120 0.019 0.000 0.249 553 V C 2.194 178.291 176.094 0.006 0.000 1.053 553 V CA 1.318 63.612 62.300 -0.010 0.000 1.068 553 V CB -0.080 31.734 31.823 -0.014 0.000 0.689 553 V HN 0.323 nan 8.190 nan 0.000 0.462 554 I N -0.923 119.656 120.570 0.014 0.000 2.500 554 I HA -0.191 3.990 4.170 0.019 0.000 0.252 554 I C 2.436 178.554 176.117 0.003 0.000 1.142 554 I CA 1.333 62.654 61.300 0.035 0.000 1.451 554 I CB -0.261 37.769 38.000 0.050 0.000 1.093 554 I HN 0.246 nan 8.210 nan 0.000 0.430 555 M N 0.258 119.849 119.600 -0.014 0.000 2.099 555 M HA -0.231 4.260 4.480 0.019 0.000 0.262 555 M C 2.350 178.629 176.300 -0.034 0.000 1.067 555 M CA 1.767 57.048 55.300 -0.032 0.000 1.124 555 M CB -0.540 32.039 32.600 -0.034 0.000 1.353 555 M HN 0.211 nan 8.290 nan 0.000 0.410 556 E N 0.565 120.750 120.200 -0.026 0.000 2.171 556 E HA -0.232 4.130 4.350 0.019 0.000 0.197 556 E C 1.923 178.507 176.600 -0.026 0.000 0.997 556 E CA 1.294 57.679 56.400 -0.026 0.000 0.810 556 E CB 0.123 29.811 29.700 -0.020 0.000 0.738 556 E HN 0.446 nan 8.360 nan 0.000 0.467 557 R N -0.431 120.060 120.500 -0.015 0.000 2.161 557 R HA -0.010 4.342 4.340 0.019 0.000 0.213 557 R C 1.727 178.004 176.300 -0.038 0.000 1.055 557 R CA 0.248 56.343 56.100 -0.010 0.000 0.996 557 R CB -0.009 30.311 30.300 0.033 0.000 0.901 557 R HN 0.138 nan 8.270 nan 0.000 0.456 558 L N 1.284 122.477 121.223 -0.051 0.000 2.660 558 L HA 0.016 4.368 4.340 0.019 0.000 0.238 558 L C 1.481 178.294 176.870 -0.094 0.000 1.161 558 L CA 0.975 55.767 54.840 -0.080 0.000 0.937 558 L CB -0.049 41.960 42.059 -0.083 0.000 1.122 558 L HN 0.129 nan 8.230 nan 0.000 0.435 559 Q N -1.357 118.394 119.800 -0.082 0.000 2.546 559 Q HA -0.051 4.301 4.340 0.019 0.000 0.203 559 Q C 1.640 177.586 176.000 -0.091 0.000 0.740 559 Q CA 0.336 56.087 55.803 -0.086 0.000 0.879 559 Q CB -0.071 28.628 28.738 -0.066 0.000 1.265 559 Q HN 0.509 nan 8.270 nan 0.000 0.585 560 Q N 0.290 120.046 119.800 -0.073 0.000 2.366 560 Q HA -0.159 4.193 4.340 0.019 0.000 0.214 560 Q C 1.391 177.315 176.000 -0.126 0.000 0.994 560 Q CA 2.031 57.789 55.803 -0.076 0.000 0.909 560 Q CB 0.235 28.944 28.738 -0.048 0.000 0.918 560 Q HN 0.310 nan 8.270 nan 0.000 0.436 561 V N -0.996 118.825 119.914 -0.154 0.000 3.539 561 V HA 0.000 4.132 4.120 0.019 0.000 0.262 561 V C 1.388 177.308 176.094 -0.290 0.000 1.381 561 V CA 0.162 62.305 62.300 -0.263 0.000 1.060 561 V CB 0.411 32.127 31.823 -0.178 0.000 0.842 561 V HN 0.281 nan 8.190 nan 0.000 0.445 562 L N 1.250 122.357 121.223 -0.193 0.000 2.592 562 L HA 0.058 4.410 4.340 0.019 0.000 0.227 562 L C 1.981 178.753 176.870 -0.164 0.000 1.127 562 L CA 0.610 55.342 54.840 -0.181 0.000 0.884 562 L CB 0.269 42.232 42.059 -0.161 0.000 1.065 562 L HN 0.550 nan 8.230 nan 0.000 0.457 563 Q N -2.267 117.448 119.800 -0.142 0.000 2.316 563 Q HA 0.073 4.425 4.340 0.019 0.000 0.235 563 Q C 1.815 177.789 176.000 -0.043 0.000 0.863 563 Q CA 0.271 56.028 55.803 -0.076 0.000 0.939 563 Q CB -0.181 28.547 28.738 -0.016 0.000 1.108 563 Q HN 0.266 nan 8.270 nan 0.000 0.522 564 M N 0.804 120.281 119.600 -0.205 0.000 2.108 564 M HA -0.217 4.274 4.480 0.019 0.000 0.257 564 M C 1.212 177.302 176.300 -0.351 0.000 1.071 564 M CA 2.011 57.071 55.300 -0.401 0.000 1.093 564 M CB -0.383 31.649 32.600 -0.947 0.000 1.345 564 M HN 0.407 nan 8.290 nan 0.000 0.403 565 E N -0.221 119.796 120.200 -0.306 0.000 2.481 565 E HA -0.037 4.324 4.350 0.019 0.000 0.195 565 E C 1.481 178.021 176.600 -0.100 0.000 1.047 565 E CA 0.778 57.093 56.400 -0.142 0.000 0.867 565 E CB 0.059 29.693 29.700 -0.109 0.000 0.858 565 E HN 0.485 nan 8.360 nan 0.000 0.513 566 S N -0.461 115.123 115.700 -0.193 0.000 2.660 566 S HA 0.054 4.536 4.470 0.019 0.000 0.227 566 S C 0.114 174.318 174.600 -0.660 0.000 0.948 566 S CA -0.322 57.661 58.200 -0.362 0.000 0.948 566 S CB -0.183 62.766 63.200 -0.419 0.000 0.779 566 S HN 0.234 nan 8.310 nan 0.000 0.487 567 H N 0.185 119.256 119.070 0.000 0.000 2.695 567 H HA 0.444 5.011 4.556 0.019 0.000 0.222 567 H C -0.963 174.427 175.328 0.103 0.000 1.412 567 H CA -0.477 55.590 56.048 0.032 0.000 1.347 567 H CB 0.129 29.896 29.762 0.007 0.000 1.858 567 H HN 0.300 nan 8.280 nan 0.000 0.519 568 I N 1.253 121.935 120.570 0.186 0.000 2.428 568 I HA 0.080 4.262 4.170 0.019 0.000 0.289 568 I C 1.034 177.232 176.117 0.135 0.000 1.019 568 I CA 0.208 61.644 61.300 0.226 0.000 1.351 568 I CB 1.800 39.910 38.000 0.184 0.000 1.412 568 I HN 0.548 nan 8.210 nan 0.000 0.513 569 Q N 2.836 122.700 119.800 0.107 0.000 2.394 569 Q HA 0.110 4.461 4.340 0.019 0.000 0.218 569 Q C -0.023 175.985 176.000 0.013 0.000 0.907 569 Q CA 0.296 56.132 55.803 0.055 0.000 0.919 569 Q CB 0.741 29.508 28.738 0.048 0.000 1.051 569 Q HN 0.841 nan 8.270 nan 0.000 0.538 570 S N -2.365 113.325 115.700 -0.018 0.000 2.596 570 S HA 0.197 4.679 4.470 0.019 0.000 0.270 570 S C 0.203 174.761 174.600 -0.068 0.000 1.155 570 S CA -0.473 57.701 58.200 -0.044 0.000 0.827 570 S CB 1.303 64.466 63.200 -0.061 0.000 1.130 570 S HN -0.048 nan 8.310 nan 0.000 0.467 571 T N 0.291 114.808 114.554 -0.061 0.000 3.023 571 T HA -0.013 4.349 4.350 0.019 0.000 0.266 571 T C 1.828 176.469 174.700 -0.098 0.000 1.093 571 T CA 1.926 63.987 62.100 -0.065 0.000 1.129 571 T CB -0.637 68.204 68.868 -0.045 0.000 0.899 571 T HN 0.697 nan 8.240 nan 0.000 0.491 572 S N 0.762 116.393 115.700 -0.114 0.000 2.348 572 S HA -0.147 4.335 4.470 0.019 0.000 0.221 572 S C 1.840 176.293 174.600 -0.246 0.000 1.033 572 S CA 1.776 59.886 58.200 -0.150 0.000 1.010 572 S CB -0.744 62.378 63.200 -0.130 0.000 0.891 572 S HN 0.544 nan 8.310 nan 0.000 0.442 573 D N 0.951 121.163 120.400 -0.313 0.000 2.116 573 D HA -0.137 4.514 4.640 0.019 0.000 0.193 573 D C 2.191 178.090 176.300 -0.669 0.000 0.998 573 D CA 1.210 54.826 54.000 -0.640 0.000 0.836 573 D CB -0.482 40.009 40.800 -0.514 0.000 0.951 573 D HN 0.424 nan 8.370 nan 0.000 0.449 574 R N 0.250 120.591 120.500 -0.265 0.000 2.112 574 R HA -0.172 4.179 4.340 0.019 0.000 0.242 574 R C 2.319 178.571 176.300 -0.080 0.000 1.137 574 R CA 1.250 57.302 56.100 -0.080 0.000 0.944 574 R CB -0.217 30.064 30.300 -0.032 0.000 0.857 574 R HN 0.122 nan 8.270 nan 0.000 0.435 575 I N 0.440 120.937 120.570 -0.121 0.000 2.179 575 I HA -0.232 3.950 4.170 0.019 0.000 0.242 575 I C 2.320 178.387 176.117 -0.083 0.000 1.088 575 I CA 1.441 62.688 61.300 -0.088 0.000 1.357 575 I CB -1.192 36.750 38.000 -0.096 0.000 1.051 575 I HN 0.301 nan 8.210 nan 0.000 0.409 576 Q N 0.383 120.089 119.800 -0.156 0.000 2.119 576 Q HA -0.075 4.277 4.340 0.019 0.000 0.201 576 Q C 2.213 178.237 176.000 0.040 0.000 0.972 576 Q CA 1.472 57.215 55.803 -0.100 0.000 0.847 576 Q CB -0.444 28.200 28.738 -0.157 0.000 0.903 576 Q HN 0.481 nan 8.270 nan 0.000 0.433 577 F N -0.214 119.721 119.950 -0.025 0.000 2.126 577 F HA -0.235 4.304 4.527 0.019 0.000 0.299 577 F C 1.899 177.677 175.800 -0.036 0.000 1.096 577 F CA 0.956 58.941 58.000 -0.025 0.000 1.255 577 F CB -0.122 38.865 39.000 -0.021 0.000 0.997 577 F HN 0.253 nan 8.300 nan 0.000 0.479 578 N N -0.074 118.721 118.700 0.158 0.000 2.270 578 N HA -0.161 4.591 4.740 0.019 0.000 0.181 578 N C 1.047 176.571 175.510 0.024 0.000 1.016 578 N CA 0.945 54.034 53.050 0.065 0.000 0.870 578 N CB -0.081 38.428 38.487 0.038 0.000 0.979 578 N HN 0.138 nan 8.380 nan 0.000 0.431 579 D N 0.936 121.350 120.400 0.023 0.000 2.144 579 D HA -0.099 4.553 4.640 0.019 0.000 0.200 579 D C 1.896 178.189 176.300 -0.013 0.000 0.978 579 D CA 0.529 54.531 54.000 0.004 0.000 0.833 579 D CB -0.168 40.636 40.800 0.008 0.000 0.961 579 D HN 0.207 nan 8.370 nan 0.000 0.470 580 L N 0.354 121.587 121.223 0.016 0.000 2.072 580 L HA -0.172 4.180 4.340 0.019 0.000 0.205 580 L C 2.495 179.314 176.870 -0.085 0.000 1.079 580 L CA 1.128 55.957 54.840 -0.019 0.000 0.752 580 L CB -0.132 41.964 42.059 0.061 0.000 0.906 580 L HN 0.016 nan 8.230 nan 0.000 0.436 581 Q N -0.648 119.126 119.800 -0.043 0.000 2.030 581 Q HA -0.242 4.109 4.340 0.019 0.000 0.204 581 Q C 2.161 178.100 176.000 -0.103 0.000 0.986 581 Q CA 2.498 58.258 55.803 -0.070 0.000 0.843 581 Q CB -0.030 28.683 28.738 -0.041 0.000 0.904 581 Q HN 0.498 nan 8.270 nan 0.000 0.420 582 S N 0.946 116.596 115.700 -0.084 0.000 2.365 582 S HA -0.178 4.303 4.470 0.019 0.000 0.225 582 S C 1.927 176.440 174.600 -0.146 0.000 1.039 582 S CA 1.450 59.597 58.200 -0.089 0.000 1.033 582 S CB -0.386 62.779 63.200 -0.058 0.000 0.887 582 S HN 0.375 nan 8.310 nan 0.000 0.447 583 L N 0.664 121.753 121.223 -0.223 0.000 2.131 583 L HA -0.051 4.301 4.340 0.019 0.000 0.210 583 L C 2.139 178.692 176.870 -0.528 0.000 1.092 583 L CA 0.879 55.474 54.840 -0.407 0.000 0.759 583 L CB -0.454 41.247 42.059 -0.595 0.000 0.903 583 L HN 0.283 nan 8.230 nan 0.000 0.435 584 L N -1.807 119.179 121.223 -0.394 0.000 2.209 584 L HA -0.129 4.223 4.340 0.019 0.000 0.207 584 L C 2.569 179.351 176.870 -0.148 0.000 1.094 584 L CA 0.403 55.086 54.840 -0.262 0.000 0.790 584 L CB -0.365 41.593 42.059 -0.168 0.000 0.932 584 L HN 0.332 nan 8.230 nan 0.000 0.447 585 C N -0.134 119.086 119.300 -0.134 0.000 2.440 585 C HA -0.090 4.382 4.460 0.019 0.000 0.278 585 C C 3.015 177.959 174.990 -0.076 0.000 1.295 585 C CA 0.923 59.885 59.018 -0.094 0.000 1.738 585 C CB -0.880 26.811 27.740 -0.082 0.000 1.987 585 C HN 0.599 nan 8.230 nan 0.000 0.492 586 A N -0.331 122.439 122.820 -0.083 0.000 1.975 586 A HA -0.050 4.282 4.320 0.019 0.000 0.215 586 A C 2.108 179.674 177.584 -0.031 0.000 1.170 586 A CA 1.713 53.720 52.037 -0.051 0.000 0.656 586 A CB -0.770 18.202 19.000 -0.046 0.000 0.821 586 A HN 0.508 nan 8.150 nan 0.000 0.449 587 T N 0.131 114.659 114.554 -0.042 0.000 3.085 587 T HA 0.006 4.368 4.350 0.019 0.000 0.263 587 T C 1.573 176.280 174.700 0.012 0.000 1.127 587 T CA 1.027 63.141 62.100 0.022 0.000 1.103 587 T CB -0.115 68.809 68.868 0.095 0.000 0.921 587 T HN 0.273 nan 8.240 nan 0.000 0.510 588 L N 1.086 122.297 121.223 -0.021 0.000 2.162 588 L HA 0.126 4.477 4.340 0.019 0.000 0.205 588 L C 2.315 179.173 176.870 -0.021 0.000 1.086 588 L CA 1.490 56.316 54.840 -0.024 0.000 0.778 588 L CB -0.396 41.634 42.059 -0.048 0.000 0.928 588 L HN 0.123 nan 8.230 nan 0.000 0.446 589 Q N -0.456 119.330 119.800 -0.023 0.000 2.368 589 Q HA -0.142 4.210 4.340 0.019 0.000 0.210 589 Q C 1.027 177.023 176.000 -0.007 0.000 0.982 589 Q CA 1.253 57.045 55.803 -0.019 0.000 0.884 589 Q CB -0.153 28.574 28.738 -0.018 0.000 0.933 589 Q HN 0.605 nan 8.270 nan 0.000 0.460 590 N N -0.598 118.103 118.700 0.002 0.000 2.332 590 N HA -0.017 4.735 4.740 0.019 0.000 0.190 590 N C 1.784 177.303 175.510 0.015 0.000 1.117 590 N CA 0.808 53.864 53.050 0.009 0.000 0.883 590 N CB 0.753 39.250 38.487 0.016 0.000 1.089 590 N HN 0.165 nan 8.380 nan 0.000 0.480 591 V N -0.633 119.291 119.914 0.017 0.000 2.488 591 V HA 0.044 4.176 4.120 0.019 0.000 0.246 591 V C 2.219 178.323 176.094 0.018 0.000 1.046 591 V CA 0.852 63.166 62.300 0.023 0.000 1.053 591 V CB -0.854 30.981 31.823 0.020 0.000 0.679 591 V HN -0.002 nan 8.190 nan 0.000 0.458 592 L N -0.088 121.135 121.223 0.001 0.000 2.056 592 L HA 0.012 4.363 4.340 0.019 0.000 0.207 592 L C 2.835 179.703 176.870 -0.003 0.000 1.078 592 L CA 1.731 56.565 54.840 -0.011 0.000 0.749 592 L CB -0.531 41.510 42.059 -0.030 0.000 0.901 592 L HN 0.198 nan 8.230 nan 0.000 0.433 593 R N -0.009 120.492 120.500 0.002 0.000 2.343 593 R HA -0.137 4.215 4.340 0.019 0.000 0.202 593 R C 1.613 177.923 176.300 0.017 0.000 1.023 593 R CA 0.579 56.684 56.100 0.008 0.000 1.084 593 R CB 0.170 30.472 30.300 0.004 0.000 0.956 593 R HN 0.101 nan 8.270 nan 0.000 0.478 594 K N -0.618 119.800 120.400 0.030 0.000 2.412 594 K HA 0.033 4.364 4.320 0.019 0.000 0.201 594 K C 0.405 177.059 176.600 0.090 0.000 1.275 594 K CA 0.589 56.903 56.287 0.046 0.000 0.910 594 K CB 0.181 32.709 32.500 0.047 0.000 1.346 594 K HN 0.017 nan 8.250 nan 0.000 0.490 595 V N 1.487 121.479 119.914 0.130 0.000 3.376 595 V HA 0.181 4.313 4.120 0.019 0.000 0.303 595 V C -0.129 176.050 176.094 0.142 0.000 1.100 595 V CA -0.725 61.728 62.300 0.255 0.000 1.126 595 V CB 0.029 31.980 31.823 0.213 0.000 1.085 595 V HN 0.347 nan 8.190 nan 0.000 0.480 596 Q N 0.632 120.517 119.800 0.142 0.000 2.326 596 Q HA -0.041 4.311 4.340 0.019 0.000 0.314 596 Q C 1.230 177.280 176.000 0.083 0.000 1.091 596 Q CA 0.498 56.328 55.803 0.045 0.000 0.974 596 Q CB 0.109 28.872 28.738 0.042 0.000 1.220 596 Q HN 0.874 nan 8.270 nan 0.000 0.398 597 H N 2.619 121.696 119.070 0.012 0.000 2.421 597 H HA -0.156 4.412 4.556 0.019 0.000 0.298 597 H C 1.173 176.519 175.328 0.030 0.000 1.087 597 H CA 2.121 58.181 56.048 0.021 0.000 1.330 597 H CB 0.548 30.316 29.762 0.011 0.000 1.388 597 H HN 0.687 nan 8.280 nan 0.000 0.526 598 Q N 0.059 119.965 119.800 0.178 0.000 2.084 598 Q HA -0.129 4.223 4.340 0.019 0.000 0.202 598 Q C 1.919 177.952 176.000 0.054 0.000 0.978 598 Q CA 1.759 57.640 55.803 0.130 0.000 0.844 598 Q CB 0.092 28.890 28.738 0.101 0.000 0.898 598 Q HN 0.431 nan 8.270 nan 0.000 0.426 599 D N 0.360 120.794 120.400 0.057 0.000 2.123 599 D HA -0.063 4.589 4.640 0.019 0.000 0.200 599 D C 1.684 177.984 176.300 0.001 0.000 0.976 599 D CA 1.255 55.286 54.000 0.051 0.000 0.831 599 D CB -0.234 40.636 40.800 0.118 0.000 0.974 599 D HN 0.272 nan 8.370 nan 0.000 0.469 600 A N 0.042 122.839 122.820 -0.038 0.000 2.125 600 A HA -0.096 4.236 4.320 0.019 0.000 0.219 600 A C 2.095 179.608 177.584 -0.118 0.000 1.156 600 A CA 0.819 52.804 52.037 -0.086 0.000 0.671 600 A CB -0.568 18.353 19.000 -0.132 0.000 0.794 600 A HN 0.230 nan 8.150 nan 0.000 0.459 601 L N -2.002 119.148 121.223 -0.121 0.000 2.127 601 L HA -0.113 4.239 4.340 0.019 0.000 0.203 601 L C 2.680 179.542 176.870 -0.012 0.000 1.080 601 L CA 0.986 55.783 54.840 -0.072 0.000 0.768 601 L CB -0.386 41.650 42.059 -0.038 0.000 0.924 601 L HN 0.261 nan 8.230 nan 0.000 0.444 602 Q N -0.085 119.713 119.800 -0.004 0.000 2.167 602 Q HA -0.136 4.216 4.340 0.019 0.000 0.202 602 Q C 2.039 178.037 176.000 -0.003 0.000 0.970 602 Q CA 1.394 57.201 55.803 0.007 0.000 0.855 602 Q CB -0.086 28.659 28.738 0.010 0.000 0.911 602 Q HN 0.337 nan 8.270 nan 0.000 0.438 603 I N -0.666 119.894 120.570 -0.017 0.000 2.252 603 I HA -0.218 3.964 4.170 0.019 0.000 0.245 603 I C 1.978 178.073 176.117 -0.038 0.000 1.102 603 I CA 1.173 62.457 61.300 -0.027 0.000 1.385 603 I CB -0.367 37.615 38.000 -0.030 0.000 1.064 603 I HN 0.005 nan 8.210 nan 0.000 0.414 604 S N 0.084 115.762 115.700 -0.038 0.000 2.383 604 S HA -0.167 4.314 4.470 0.019 0.000 0.227 604 S C 1.636 176.206 174.600 -0.049 0.000 1.026 604 S CA 1.199 59.369 58.200 -0.051 0.000 0.981 604 S CB -0.363 62.816 63.200 -0.036 0.000 0.818 604 S HN 0.444 nan 8.310 nan 0.000 0.472 605 D N 0.884 121.294 120.400 0.017 0.000 2.309 605 D HA -0.026 4.625 4.640 0.019 0.000 0.212 605 D C 1.762 178.083 176.300 0.036 0.000 0.968 605 D CA 0.567 54.625 54.000 0.096 0.000 0.882 605 D CB 0.010 40.877 40.800 0.113 0.000 0.918 605 D HN 0.246 nan 8.370 nan 0.000 0.503 606 V N 0.077 119.981 119.914 -0.017 0.000 2.492 606 V HA -0.111 4.020 4.120 0.019 0.000 0.241 606 V C 2.568 178.614 176.094 -0.080 0.000 1.041 606 V CA 0.560 62.839 62.300 -0.035 0.000 1.057 606 V CB -0.030 31.773 31.823 -0.033 0.000 0.711 606 V HN 0.001 nan 8.190 nan 0.000 0.468 607 V N -0.107 119.746 119.914 -0.102 0.000 2.358 607 V HA -0.275 3.857 4.120 0.019 0.000 0.246 607 V C 2.390 178.363 176.094 -0.201 0.000 1.047 607 V CA 2.314 64.531 62.300 -0.138 0.000 1.035 607 V CB -0.681 31.066 31.823 -0.127 0.000 0.658 607 V HN 0.566 nan 8.190 nan 0.000 0.452 608 M N 1.326 120.779 119.600 -0.246 0.000 2.175 608 M HA 0.011 4.502 4.480 0.019 0.000 0.264 608 M C 2.024 178.131 176.300 -0.321 0.000 1.063 608 M CA 1.932 57.007 55.300 -0.376 0.000 1.119 608 M CB -0.843 31.372 32.600 -0.643 0.000 1.377 608 M HN 0.236 nan 8.290 nan 0.000 0.415 609 A N -1.137 121.571 122.820 -0.186 0.000 1.933 609 A HA -0.129 4.202 4.320 0.019 0.000 0.218 609 A C 2.274 179.793 177.584 -0.108 0.000 1.175 609 A CA 2.220 54.218 52.037 -0.066 0.000 0.628 609 A CB -1.057 17.944 19.000 0.002 0.000 0.814 609 A HN 0.582 nan 8.150 nan 0.000 0.444 610 S N -0.480 115.130 115.700 -0.150 0.000 2.406 610 S HA 0.048 4.530 4.470 0.019 0.000 0.228 610 S C 1.726 176.161 174.600 -0.275 0.000 1.020 610 S CA 0.972 59.069 58.200 -0.172 0.000 0.965 610 S CB -0.299 62.808 63.200 -0.155 0.000 0.798 610 S HN 0.497 nan 8.310 nan 0.000 0.488 611 L N 0.926 121.928 121.223 -0.368 0.000 2.217 611 L HA 0.042 4.393 4.340 0.019 0.000 0.211 611 L C 1.988 178.395 176.870 -0.771 0.000 1.107 611 L CA 0.740 55.190 54.840 -0.651 0.000 0.783 611 L CB -0.348 41.323 42.059 -0.646 0.000 0.919 611 L HN 0.292 nan 8.230 nan 0.000 0.442 612 L N -0.651 120.352 121.223 -0.366 0.000 2.156 612 L HA -0.160 4.192 4.340 0.019 0.000 0.208 612 L C 2.704 179.512 176.870 -0.103 0.000 1.095 612 L CA 0.949 55.720 54.840 -0.115 0.000 0.770 612 L CB -0.355 41.731 42.059 0.046 0.000 0.914 612 L HN 0.241 nan 8.230 nan 0.000 0.439 613 R N -0.235 120.181 120.500 -0.140 0.000 2.153 613 R HA -0.099 4.253 4.340 0.019 0.000 0.218 613 R C 2.289 178.509 176.300 -0.134 0.000 1.072 613 R CA 0.739 56.786 56.100 -0.088 0.000 0.990 613 R CB 0.025 30.281 30.300 -0.074 0.000 0.889 613 R HN 0.222 nan 8.270 nan 0.000 0.452 614 M N -0.141 119.308 119.600 -0.253 0.000 2.288 614 M HA -0.042 4.450 4.480 0.019 0.000 0.266 614 M C 1.195 177.384 176.300 -0.185 0.000 1.072 614 M CA 1.419 56.571 55.300 -0.246 0.000 1.132 614 M CB -0.232 32.170 32.600 -0.330 0.000 1.386 614 M HN 0.192 nan 8.290 nan 0.000 0.432 615 F N 0.387 120.124 119.950 -0.355 0.000 2.146 615 F HA -0.258 4.280 4.527 0.019 0.000 0.298 615 F C 2.683 178.151 175.800 -0.552 0.000 1.096 615 F CA 1.071 58.668 58.000 -0.672 0.000 1.275 615 F CB -0.301 37.861 39.000 -1.396 0.000 1.008 615 F HN 0.296 nan 8.300 nan 0.000 0.480 616 Q N 0.182 119.931 119.800 -0.084 0.000 2.119 616 Q HA -0.161 4.190 4.340 0.019 0.000 0.201 616 Q C 2.003 178.097 176.000 0.156 0.000 0.972 616 Q CA 1.701 57.663 55.803 0.266 0.000 0.847 616 Q CB 0.007 28.913 28.738 0.279 0.000 0.903 616 Q HN 0.233 nan 8.270 nan 0.000 0.433 617 S N -0.290 115.442 115.700 0.054 0.000 2.489 617 S HA -0.043 4.439 4.470 0.019 0.000 0.228 617 S C 1.147 175.761 174.600 0.024 0.000 0.995 617 S CA 1.183 59.395 58.200 0.020 0.000 0.934 617 S CB 0.290 63.463 63.200 -0.045 0.000 0.771 617 S HN 0.574 nan 8.310 nan 0.000 0.522 618 T N -1.632 112.950 114.554 0.045 0.000 3.442 618 T HA 0.630 4.991 4.350 0.019 0.000 0.295 618 T C 1.133 175.890 174.700 0.096 0.000 1.007 618 T CA 0.169 62.301 62.100 0.053 0.000 0.962 618 T CB 0.517 69.404 68.868 0.031 0.000 1.187 618 T HN 0.140 nan 8.240 nan 0.000 0.490 619 A N 1.600 124.512 122.820 0.153 0.000 1.902 619 A HA 0.438 4.770 4.320 0.019 0.000 0.217 619 A C 1.684 179.338 177.584 0.117 0.000 1.181 619 A CA 0.835 53.001 52.037 0.214 0.000 0.623 619 A CB -1.101 18.114 19.000 0.358 0.000 0.818 619 A HN 0.741 nan 8.150 nan 0.000 0.443 620 G N -0.443 108.410 108.800 0.087 0.000 2.354 620 G HA2 0.450 4.422 3.960 0.019 0.000 0.266 620 G HA3 0.450 4.422 3.960 0.019 0.000 0.266 620 G C 0.414 175.337 174.900 0.038 0.000 1.242 620 G CA 0.597 45.728 45.100 0.052 0.000 0.923 620 G HN 0.790 nan 8.290 nan 0.000 0.476 621 S N 0.377 116.092 115.700 0.024 0.000 3.643 621 S HA 0.109 4.590 4.470 0.019 0.000 0.630 621 S C 0.717 175.328 174.600 0.019 0.000 2.469 621 S CA 1.233 59.440 58.200 0.012 0.000 3.568 621 S CB -1.296 61.910 63.200 0.009 0.000 0.271 621 S HN 2.713 nan 8.310 nan 0.000 1.199 622 G N -0.334 108.475 108.800 0.016 0.000 2.661 622 G HA2 0.532 4.503 3.960 0.019 0.000 0.262 622 G HA3 0.532 4.503 3.960 0.019 0.000 0.262 622 G C 0.359 175.270 174.900 0.017 0.000 1.310 622 G CA 0.485 45.602 45.100 0.027 0.000 1.160 622 G HN 1.540 nan 8.290 nan 0.000 0.598 623 G N 0.134 108.947 108.800 0.022 0.000 2.418 623 G HA2 0.191 4.163 3.960 0.019 0.000 0.217 623 G HA3 0.191 4.163 3.960 0.019 0.000 0.217 623 G C 1.217 176.138 174.900 0.036 0.000 1.158 623 G CA 1.672 46.786 45.100 0.024 0.000 0.771 623 G HN 1.775 nan 8.290 nan 0.000 0.545 624 V N -1.299 118.643 119.914 0.047 0.000 2.096 624 V HA 0.491 4.623 4.120 0.019 0.000 0.259 624 V C 0.125 176.283 176.094 0.106 0.000 1.420 624 V CA -0.133 62.200 62.300 0.055 0.000 1.336 624 V CB 0.509 32.346 31.823 0.024 0.000 1.394 624 V HN 0.213 nan 8.190 nan 0.000 0.494 625 Q N 1.368 121.222 119.800 0.091 0.000 2.040 625 Q HA 0.205 4.556 4.340 0.019 0.000 0.240 625 Q C 0.403 176.436 176.000 0.055 0.000 0.844 625 Q CA 0.092 55.954 55.803 0.099 0.000 1.003 625 Q CB 1.239 30.006 28.738 0.049 0.000 1.281 625 Q HN 0.818 nan 8.270 nan 0.000 0.402 626 E N -0.105 120.129 120.200 0.056 0.000 3.844 626 E HA 0.042 4.404 4.350 0.019 0.000 0.201 626 E C 0.218 176.838 176.600 0.033 0.000 1.278 626 E CA 0.335 56.748 56.400 0.022 0.000 1.565 626 E CB 0.426 30.119 29.700 -0.010 0.000 1.543 626 E HN 0.129 nan 8.360 nan 0.000 0.584 627 D N 1.194 121.608 120.400 0.023 0.000 2.378 627 D HA 0.040 4.691 4.640 0.019 0.000 0.227 627 D C 1.273 177.587 176.300 0.023 0.000 1.012 627 D CA 0.705 54.711 54.000 0.010 0.000 0.905 627 D CB 0.484 41.279 40.800 -0.009 0.000 0.895 627 D HN 0.185 nan 8.370 nan 0.000 0.532 628 A N 0.472 123.336 122.820 0.073 0.000 1.935 628 A HA 0.029 4.360 4.320 0.019 0.000 0.214 628 A C 2.210 179.914 177.584 0.201 0.000 1.178 628 A CA 0.212 52.314 52.037 0.109 0.000 0.640 628 A CB -0.364 18.758 19.000 0.203 0.000 0.825 628 A HN 0.147 nan 8.150 nan 0.000 0.447 629 L N -0.934 120.417 121.223 0.215 0.000 2.376 629 L HA -0.052 4.299 4.340 0.019 0.000 0.219 629 L C 2.509 179.430 176.870 0.084 0.000 1.133 629 L CA 0.736 55.692 54.840 0.192 0.000 0.816 629 L CB -0.337 41.798 42.059 0.127 0.000 0.933 629 L HN 0.417 nan 8.230 nan 0.000 0.449 630 M N -1.190 118.437 119.600 0.045 0.000 2.388 630 M HA -0.020 4.472 4.480 0.019 0.000 0.265 630 M C 2.391 178.677 176.300 -0.024 0.000 1.088 630 M CA 1.102 56.404 55.300 0.003 0.000 1.134 630 M CB -0.158 32.440 32.600 -0.003 0.000 1.384 630 M HN 0.264 nan 8.290 nan 0.000 0.447 631 A N -0.110 122.693 122.820 -0.028 0.000 1.930 631 A HA -0.040 4.292 4.320 0.019 0.000 0.215 631 A C 2.174 179.703 177.584 -0.090 0.000 1.176 631 A CA 1.027 53.024 52.037 -0.066 0.000 0.632 631 A CB -0.740 18.208 19.000 -0.087 0.000 0.819 631 A HN 0.241 nan 8.150 nan 0.000 0.445 632 V N 0.170 120.036 119.914 -0.079 0.000 2.295 632 V HA -0.244 3.888 4.120 0.019 0.000 0.246 632 V C 2.780 178.761 176.094 -0.187 0.000 1.049 632 V CA 2.368 64.575 62.300 -0.155 0.000 1.024 632 V CB -0.884 30.849 31.823 -0.151 0.000 0.648 632 V HN 0.562 nan 8.190 nan 0.000 0.447 633 S N 0.508 116.135 115.700 -0.122 0.000 2.387 633 S HA -0.236 4.246 4.470 0.019 0.000 0.230 633 S C 2.005 176.531 174.600 -0.123 0.000 1.035 633 S CA 2.123 60.248 58.200 -0.125 0.000 1.014 633 S CB -0.512 62.650 63.200 -0.064 0.000 0.836 633 S HN 0.871 nan 8.310 nan 0.000 0.466 634 T N 0.080 114.577 114.554 -0.095 0.000 3.043 634 T HA 0.189 4.550 4.350 0.019 0.000 0.263 634 T C 1.443 176.096 174.700 -0.079 0.000 1.094 634 T CA 0.231 62.286 62.100 -0.075 0.000 1.127 634 T CB -0.159 68.675 68.868 -0.057 0.000 0.905 634 T HN 0.108 nan 8.240 nan 0.000 0.490 635 L N 1.284 122.446 121.223 -0.101 0.000 2.313 635 L HA 0.225 4.577 4.340 0.019 0.000 0.214 635 L C 2.146 178.993 176.870 -0.039 0.000 1.119 635 L CA 0.645 55.440 54.840 -0.076 0.000 0.809 635 L CB -0.573 41.420 42.059 -0.111 0.000 0.933 635 L HN 0.182 nan 8.230 nan 0.000 0.449 636 V N -1.386 118.426 119.914 -0.171 0.000 3.646 636 V HA -0.012 4.120 4.120 0.019 0.000 0.277 636 V C 1.817 177.836 176.094 -0.125 0.000 1.274 636 V CA 0.446 62.560 62.300 -0.310 0.000 1.164 636 V CB -0.017 31.403 31.823 -0.672 0.000 0.926 636 V HN 0.309 nan 8.190 nan 0.000 0.442 637 E N -0.054 120.110 120.200 -0.059 0.000 2.288 637 E HA 0.096 4.457 4.350 0.019 0.000 0.200 637 E C 1.506 178.118 176.600 0.019 0.000 0.880 637 E CA 0.339 56.728 56.400 -0.019 0.000 0.971 637 E CB 0.322 30.006 29.700 -0.026 0.000 0.954 637 E HN 0.322 nan 8.360 nan 0.000 0.489 638 V N 1.785 121.699 119.914 -0.001 0.000 3.513 638 V HA 0.086 4.218 4.120 0.019 0.000 0.311 638 V C 0.880 176.978 176.094 0.005 0.000 1.218 638 V CA 0.773 63.059 62.300 -0.024 0.000 1.266 638 V CB -0.682 31.100 31.823 -0.068 0.000 1.074 638 V HN 0.197 nan 8.190 nan 0.000 0.421 639 L N -0.977 120.299 121.223 0.088 0.000 3.154 639 L HA 0.466 4.817 4.340 0.019 0.000 0.280 639 L C 1.922 178.897 176.870 0.176 0.000 1.134 639 L CA 0.620 55.553 54.840 0.155 0.000 1.037 639 L CB 0.177 42.380 42.059 0.240 0.000 1.571 639 L HN 0.420 nan 8.230 nan 0.000 0.576 640 G N 1.239 110.124 108.800 0.142 0.000 2.702 640 G HA2 -0.445 3.527 3.960 0.019 0.000 0.342 640 G HA3 -0.445 3.527 3.960 0.019 0.000 0.342 640 G C 1.106 176.099 174.900 0.155 0.000 1.258 640 G CA 0.699 45.872 45.100 0.122 0.000 0.990 640 G HN 0.412 nan 8.290 nan 0.000 0.548 641 G N -0.224 108.657 108.800 0.134 0.000 2.422 641 G HA2 -0.013 3.959 3.960 0.019 0.000 0.218 641 G HA3 -0.013 3.959 3.960 0.019 0.000 0.218 641 G C 1.461 176.460 174.900 0.164 0.000 1.146 641 G CA 1.466 46.647 45.100 0.136 0.000 0.769 641 G HN 0.800 nan 8.290 nan 0.000 0.547 642 E N -0.450 119.845 120.200 0.158 0.000 2.393 642 E HA -0.172 4.190 4.350 0.019 0.000 0.201 642 E C 1.773 178.488 176.600 0.191 0.000 1.025 642 E CA 0.344 56.829 56.400 0.141 0.000 0.856 642 E CB -0.226 29.557 29.700 0.138 0.000 0.771 642 E HN 0.580 nan 8.360 nan 0.000 0.526 643 F N 0.888 120.922 119.950 0.139 0.000 2.604 643 F HA -0.089 4.449 4.527 0.019 0.000 0.298 643 F C 1.888 177.791 175.800 0.171 0.000 1.131 643 F CA 0.198 58.334 58.000 0.227 0.000 1.457 643 F CB 0.135 39.220 39.000 0.141 0.000 1.095 643 F HN 0.008 nan 8.300 nan 0.000 0.574 644 L N 1.077 122.419 121.223 0.198 0.000 2.081 644 L HA -0.261 4.090 4.340 0.019 0.000 0.212 644 L C 2.495 179.359 176.870 -0.009 0.000 1.080 644 L CA 1.849 56.765 54.840 0.126 0.000 0.754 644 L CB -0.998 41.140 42.059 0.131 0.000 0.893 644 L HN 0.050 nan 8.230 nan 0.000 0.433 645 K N -0.819 119.495 120.400 -0.142 0.000 2.074 645 K HA -0.247 4.085 4.320 0.019 0.000 0.209 645 K C 2.093 178.469 176.600 -0.373 0.000 1.048 645 K CA 2.204 58.315 56.287 -0.293 0.000 0.926 645 K CB -0.480 31.731 32.500 -0.481 0.000 0.713 645 K HN 0.524 nan 8.250 nan 0.000 0.444 646 Y N -0.495 119.580 120.300 -0.375 0.000 2.457 646 Y HA -0.041 4.520 4.550 0.020 0.000 0.292 646 Y C 2.390 178.172 175.900 -0.196 0.000 1.125 646 Y CA 0.230 58.070 58.100 -0.434 0.000 1.254 646 Y CB -0.039 37.825 38.460 -0.993 0.000 1.012 646 Y HN -0.037 nan 8.280 nan 0.000 0.555 647 M N 0.399 119.986 119.600 -0.022 0.000 2.108 647 M HA -0.251 4.240 4.480 0.019 0.000 0.261 647 M C 2.176 178.522 176.300 0.077 0.000 1.066 647 M CA 1.784 57.119 55.300 0.057 0.000 1.107 647 M CB -0.682 31.772 32.600 -0.243 0.000 1.356 647 M HN 0.318 nan 8.290 nan 0.000 0.406 648 E N 0.034 120.326 120.200 0.152 0.000 2.072 648 E HA -0.072 4.290 4.350 0.019 0.000 0.191 648 E C 1.770 178.477 176.600 0.178 0.000 0.985 648 E CA 1.808 58.348 56.400 0.233 0.000 0.801 648 E CB -0.238 29.596 29.700 0.222 0.000 0.750 648 E HN 0.398 nan 8.360 nan 0.000 0.452 649 A N -0.669 122.267 122.820 0.193 0.000 2.066 649 A HA -0.036 4.296 4.320 0.019 0.000 0.218 649 A C 1.891 179.714 177.584 0.398 0.000 1.157 649 A CA 1.120 53.302 52.037 0.241 0.000 0.670 649 A CB -0.613 18.528 19.000 0.235 0.000 0.804 649 A HN 0.475 nan 8.150 nan 0.000 0.453 650 F N 0.086 120.184 119.950 0.247 0.000 2.622 650 F HA 0.178 4.717 4.527 0.019 0.000 0.288 650 F C 1.850 177.785 175.800 0.225 0.000 1.120 650 F CA 0.700 58.924 58.000 0.374 0.000 1.423 650 F CB -0.106 39.124 39.000 0.383 0.000 1.127 650 F HN 0.147 nan 8.300 nan 0.000 0.588 651 K N 2.101 122.466 120.400 -0.058 0.000 2.049 651 K HA -0.215 4.117 4.320 0.019 0.000 0.219 651 K C -0.776 175.642 176.600 -0.303 0.000 1.056 651 K CA 2.405 58.577 56.287 -0.193 0.000 0.946 651 K CB -1.894 30.624 32.500 0.029 0.000 0.723 651 K HN 0.199 nan 8.250 nan 0.000 0.453 652 P HA -0.147 nan 4.420 nan 0.000 0.223 652 P C 0.990 177.972 177.300 -0.530 0.000 1.144 652 P CA 1.273 64.114 63.100 -0.432 0.000 0.783 652 P CB -0.105 31.274 31.700 -0.534 0.000 0.771 653 F N -0.773 118.959 119.950 -0.364 0.000 2.374 653 F HA 0.138 4.677 4.527 0.019 0.000 0.291 653 F C 2.535 177.978 175.800 -0.595 0.000 1.084 653 F CA 0.020 57.743 58.000 -0.462 0.000 1.413 653 F CB -1.291 37.419 39.000 -0.484 0.000 1.099 653 F HN -0.254 nan 8.300 nan 0.000 0.534 654 L N 0.022 120.804 121.223 -0.736 0.000 2.270 654 L HA -0.235 4.117 4.340 0.019 0.000 0.217 654 L C 2.080 178.804 176.870 -0.244 0.000 1.107 654 L CA 1.822 56.359 54.840 -0.504 0.000 0.772 654 L CB -0.783 40.950 42.059 -0.544 0.000 0.902 654 L HN 0.355 nan 8.230 nan 0.000 0.439 655 G N -0.820 107.845 108.800 -0.225 0.000 2.662 655 G HA2 -0.164 3.807 3.960 0.019 0.000 0.207 655 G HA3 -0.164 3.807 3.960 0.019 0.000 0.207 655 G C 1.350 176.197 174.900 -0.089 0.000 1.154 655 G CA 0.345 45.364 45.100 -0.134 0.000 0.837 655 G HN 0.275 nan 8.290 nan 0.000 0.580 656 I N 2.146 122.659 120.570 -0.096 0.000 2.335 656 I HA -0.012 4.169 4.170 0.019 0.000 0.251 656 I C 2.535 178.635 176.117 -0.027 0.000 1.129 656 I CA 1.781 63.056 61.300 -0.041 0.000 1.402 656 I CB -0.315 37.681 38.000 -0.007 0.000 1.069 656 I HN 0.091 nan 8.210 nan 0.000 0.424 657 G N 0.219 108.986 108.800 -0.056 0.000 2.422 657 G HA2 -0.176 3.796 3.960 0.019 0.000 0.218 657 G HA3 -0.176 3.796 3.960 0.019 0.000 0.218 657 G C 1.657 176.547 174.900 -0.017 0.000 1.140 657 G CA 0.889 45.963 45.100 -0.044 0.000 0.775 657 G HN 0.459 nan 8.290 nan 0.000 0.545 658 L N -0.401 120.808 121.223 -0.024 0.000 2.131 658 L HA 0.109 4.460 4.340 0.019 0.000 0.206 658 L C 2.777 179.672 176.870 0.041 0.000 1.087 658 L CA 1.049 55.890 54.840 0.002 0.000 0.767 658 L CB -0.181 41.866 42.059 -0.019 0.000 0.917 658 L HN 0.160 nan 8.230 nan 0.000 0.441 659 K N 0.234 120.656 120.400 0.036 0.000 2.097 659 K HA -0.145 4.186 4.320 0.019 0.000 0.205 659 K C 1.100 177.784 176.600 0.141 0.000 1.050 659 K CA 0.480 56.814 56.287 0.078 0.000 0.938 659 K CB 0.021 32.547 32.500 0.043 0.000 0.718 659 K HN 0.118 nan 8.250 nan 0.000 0.442 660 N N 0.997 119.742 118.700 0.076 0.000 2.400 660 N HA -0.134 4.617 4.740 0.019 0.000 0.278 660 N C 0.047 175.611 175.510 0.089 0.000 1.247 660 N CA 0.198 53.273 53.050 0.041 0.000 0.970 660 N CB 0.273 38.757 38.487 -0.004 0.000 1.312 660 N HN 0.306 nan 8.380 nan 0.000 0.488 661 Y N 2.662 122.980 120.300 0.029 0.000 2.442 661 Y HA 0.477 5.038 4.550 0.019 0.000 0.250 661 Y C 1.746 177.698 175.900 0.086 0.000 1.113 661 Y CA 0.096 58.229 58.100 0.056 0.000 1.273 661 Y CB -0.218 38.272 38.460 0.050 0.000 1.138 661 Y HN 0.370 nan 8.280 nan 0.000 0.522 662 A N 1.050 123.556 122.820 -0.525 0.000 1.969 662 A HA -0.063 4.268 4.320 0.019 0.000 0.218 662 A C 1.206 178.731 177.584 -0.098 0.000 1.169 662 A CA 1.054 52.865 52.037 -0.377 0.000 0.635 662 A CB -0.416 18.351 19.000 -0.388 0.000 0.810 662 A HN 0.546 nan 8.150 nan 0.000 0.445 663 E N 0.429 120.567 120.200 -0.103 0.000 2.282 663 E HA 0.199 4.561 4.350 0.019 0.000 0.247 663 E C -0.009 176.493 176.600 -0.162 0.000 1.113 663 E CA -0.523 55.783 56.400 -0.155 0.000 1.095 663 E CB 0.018 29.631 29.700 -0.144 0.000 1.328 663 E HN 0.794 nan 8.360 nan 0.000 0.463 664 Y N 0.074 120.361 120.300 -0.021 0.000 2.516 664 Y HA -0.269 4.292 4.550 0.019 0.000 0.284 664 Y C 1.810 177.704 175.900 -0.009 0.000 1.166 664 Y CA 0.775 58.879 58.100 0.007 0.000 1.350 664 Y CB -0.288 38.177 38.460 0.008 0.000 0.967 664 Y HN 0.208 nan 8.280 nan 0.000 0.568 665 Q N 1.076 120.585 119.800 -0.485 0.000 1.984 665 Q HA -0.077 4.275 4.340 0.019 0.000 0.196 665 Q C 2.643 178.569 176.000 -0.123 0.000 0.975 665 Q CA 1.626 57.227 55.803 -0.336 0.000 0.827 665 Q CB -0.955 27.517 28.738 -0.443 0.000 0.894 665 Q HN 0.513 nan 8.270 nan 0.000 0.438 666 V N 1.118 120.962 119.914 -0.117 0.000 2.252 666 V HA -0.389 3.743 4.120 0.019 0.000 0.255 666 V C 2.607 178.690 176.094 -0.017 0.000 1.071 666 V CA 2.166 64.435 62.300 -0.052 0.000 1.050 666 V CB -1.259 30.535 31.823 -0.048 0.000 0.654 666 V HN 0.539 nan 8.190 nan 0.000 0.448 667 C N -0.447 118.852 119.300 -0.000 0.000 2.398 667 C HA -0.193 4.278 4.460 0.019 0.000 0.276 667 C C 2.611 177.623 174.990 0.037 0.000 1.222 667 C CA 1.583 60.622 59.018 0.036 0.000 1.746 667 C CB -1.149 26.643 27.740 0.087 0.000 2.039 667 C HN 0.582 nan 8.230 nan 0.000 0.470 668 L N 1.833 123.088 121.223 0.053 0.000 1.990 668 L HA -0.038 4.314 4.340 0.019 0.000 0.213 668 L C 2.786 179.670 176.870 0.023 0.000 1.072 668 L CA 2.673 57.544 54.840 0.051 0.000 0.755 668 L CB -0.911 41.197 42.059 0.080 0.000 0.889 668 L HN 0.414 nan 8.230 nan 0.000 0.432 669 A N -1.293 121.536 122.820 0.015 0.000 2.015 669 A HA -0.020 4.311 4.320 0.019 0.000 0.219 669 A C 2.365 179.959 177.584 0.016 0.000 1.163 669 A CA 1.467 53.511 52.037 0.012 0.000 0.646 669 A CB -0.886 18.119 19.000 0.009 0.000 0.806 669 A HN 0.536 nan 8.150 nan 0.000 0.448 670 A N -0.503 122.325 122.820 0.014 0.000 1.873 670 A HA 0.020 4.351 4.320 0.019 0.000 0.215 670 A C 2.122 179.708 177.584 0.005 0.000 1.186 670 A CA 1.612 53.656 52.037 0.012 0.000 0.616 670 A CB -0.914 18.084 19.000 -0.003 0.000 0.823 670 A HN 0.378 nan 8.150 nan 0.000 0.442 671 V N 0.104 120.017 119.914 -0.002 0.000 2.594 671 V HA -0.170 3.961 4.120 0.019 0.000 0.253 671 V C 2.639 178.723 176.094 -0.016 0.000 1.069 671 V CA 1.773 64.063 62.300 -0.017 0.000 1.082 671 V CB -1.187 30.616 31.823 -0.033 0.000 0.680 671 V HN 0.634 nan 8.190 nan 0.000 0.469 672 G N -0.782 108.014 108.800 -0.007 0.000 2.394 672 G HA2 -0.171 3.801 3.960 0.019 0.000 0.215 672 G HA3 -0.171 3.801 3.960 0.019 0.000 0.215 672 G C 1.602 176.498 174.900 -0.007 0.000 1.165 672 G CA 0.629 45.724 45.100 -0.008 0.000 0.784 672 G HN 0.427 nan 8.290 nan 0.000 0.535 673 L N 0.571 121.796 121.223 0.003 0.000 2.021 673 L HA -0.209 4.142 4.340 0.019 0.000 0.215 673 L C 3.055 179.924 176.870 -0.002 0.000 1.074 673 L CA 1.301 56.144 54.840 0.005 0.000 0.760 673 L CB -0.305 41.790 42.059 0.059 0.000 0.889 673 L HN 0.148 nan 8.230 nan 0.000 0.433 674 V N -0.132 119.786 119.914 0.007 0.000 2.278 674 V HA -0.346 3.786 4.120 0.019 0.000 0.251 674 V C 2.580 178.681 176.094 0.011 0.000 1.062 674 V CA 2.155 64.462 62.300 0.011 0.000 1.038 674 V CB -1.733 30.098 31.823 0.013 0.000 0.646 674 V HN 0.676 nan 8.190 nan 0.000 0.447 675 G N -0.520 108.282 108.800 0.004 0.000 2.469 675 G HA2 -0.283 3.688 3.960 0.019 0.000 0.219 675 G HA3 -0.283 3.688 3.960 0.019 0.000 0.219 675 G C 1.313 176.211 174.900 -0.003 0.000 1.150 675 G CA 1.148 46.251 45.100 0.005 0.000 0.763 675 G HN 0.529 nan 8.290 nan 0.000 0.561 676 D N 0.112 120.500 120.400 -0.021 0.000 2.183 676 D HA 0.011 4.663 4.640 0.019 0.000 0.203 676 D C 2.619 178.886 176.300 -0.057 0.000 0.969 676 D CA 0.252 54.228 54.000 -0.041 0.000 0.842 676 D CB 0.039 40.800 40.800 -0.065 0.000 0.957 676 D HN 0.274 nan 8.370 nan 0.000 0.484 677 L N 0.334 121.523 121.223 -0.057 0.000 2.141 677 L HA -0.150 4.202 4.340 0.019 0.000 0.209 677 L C 2.550 179.424 176.870 0.008 0.000 1.094 677 L CA 0.613 55.419 54.840 -0.056 0.000 0.763 677 L CB -0.118 41.922 42.059 -0.032 0.000 0.908 677 L HN 0.129 nan 8.230 nan 0.000 0.437 678 C N -0.572 118.742 119.300 0.024 0.000 2.440 678 C HA -0.113 4.359 4.460 0.019 0.000 0.278 678 C C 2.829 177.844 174.990 0.041 0.000 1.295 678 C CA 0.572 59.619 59.018 0.048 0.000 1.738 678 C CB -0.882 26.889 27.740 0.051 0.000 1.987 678 C HN 0.427 nan 8.230 nan 0.000 0.492 679 R N 0.480 120.994 120.500 0.023 0.000 2.200 679 R HA 0.052 4.404 4.340 0.019 0.000 0.208 679 R C 2.258 178.574 176.300 0.027 0.000 1.033 679 R CA 1.088 57.201 56.100 0.022 0.000 1.000 679 R CB -0.213 30.094 30.300 0.011 0.000 0.906 679 R HN 0.529 nan 8.270 nan 0.000 0.462 680 A N 1.023 123.857 122.820 0.023 0.000 1.874 680 A HA 0.020 4.352 4.320 0.019 0.000 0.214 680 A C 1.081 178.709 177.584 0.073 0.000 1.189 680 A CA 0.710 52.772 52.037 0.042 0.000 0.615 680 A CB 0.006 19.019 19.000 0.020 0.000 0.830 680 A HN 0.168 nan 8.150 nan 0.000 0.443 681 L N 1.230 122.502 121.223 0.082 0.000 2.603 681 L HA 0.297 4.648 4.340 0.019 0.000 0.242 681 L C -0.905 176.023 176.870 0.097 0.000 1.169 681 L CA -0.637 54.267 54.840 0.106 0.000 1.029 681 L CB 0.198 42.343 42.059 0.143 0.000 1.361 681 L HN 0.236 nan 8.230 nan 0.000 0.439 682 Q N 0.881 120.726 119.800 0.075 0.000 2.557 682 Q HA -0.025 4.327 4.340 0.019 0.000 0.316 682 Q C 1.158 177.207 176.000 0.081 0.000 1.130 682 Q CA 0.799 56.644 55.803 0.070 0.000 1.065 682 Q CB -0.027 28.741 28.738 0.052 0.000 1.014 682 Q HN 0.667 nan 8.270 nan 0.000 0.397 683 S N 2.047 117.802 115.700 0.093 0.000 2.931 683 S HA -0.219 4.263 4.470 0.019 0.000 0.271 683 S C 0.034 174.698 174.600 0.107 0.000 1.309 683 S CA 1.380 59.633 58.200 0.089 0.000 1.181 683 S CB -1.323 61.916 63.200 0.066 0.000 1.435 683 S HN 0.904 nan 8.310 nan 0.000 0.670 684 N N 0.145 118.929 118.700 0.141 0.000 2.171 684 N HA 0.404 5.156 4.740 0.019 0.000 0.212 684 N C 0.791 176.486 175.510 0.308 0.000 1.184 684 N CA 0.096 53.259 53.050 0.189 0.000 0.888 684 N CB 0.384 38.979 38.487 0.179 0.000 1.038 684 N HN 0.356 nan 8.380 nan 0.000 0.517 685 I N 1.184 121.923 120.570 0.280 0.000 3.883 685 I HA 0.122 4.304 4.170 0.019 0.000 0.326 685 I C 1.179 177.515 176.117 0.363 0.000 1.283 685 I CA 0.298 61.836 61.300 0.397 0.000 1.161 685 I CB -0.205 37.934 38.000 0.230 0.000 1.012 685 I HN 0.142 nan 8.210 nan 0.000 0.421 686 I N 3.366 124.063 120.570 0.212 0.000 2.194 686 I HA -0.163 4.019 4.170 0.019 0.000 0.246 686 I C -0.550 175.576 176.117 0.014 0.000 1.093 686 I CA 1.707 63.076 61.300 0.115 0.000 1.355 686 I CB -2.178 35.869 38.000 0.079 0.000 1.046 686 I HN 0.191 nan 8.210 nan 0.000 0.413 687 P HA -0.003 nan 4.420 nan 0.000 0.256 687 P C 0.626 177.477 177.300 -0.749 0.000 1.335 687 P CA 0.883 63.704 63.100 -0.465 0.000 0.808 687 P CB -0.287 31.043 31.700 -0.617 0.000 1.305 688 F N -2.255 117.730 119.950 0.058 0.000 2.856 688 F HA 0.084 4.623 4.527 0.019 0.000 0.338 688 F C 2.349 178.173 175.800 0.039 0.000 1.005 688 F CA -0.097 57.932 58.000 0.047 0.000 1.155 688 F CB -0.969 38.068 39.000 0.062 0.000 1.010 688 F HN -0.110 nan 8.300 nan 0.000 0.587 689 C N 0.935 120.359 119.300 0.207 0.000 2.385 689 C HA -0.256 4.216 4.460 0.019 0.000 0.275 689 C C 2.241 177.263 174.990 0.054 0.000 1.199 689 C CA 1.460 60.554 59.018 0.127 0.000 1.782 689 C CB -0.778 27.043 27.740 0.135 0.000 2.068 689 C HN 0.457 nan 8.230 nan 0.000 0.471 690 D N 0.423 120.871 120.400 0.080 0.000 2.249 690 D HA -0.056 4.596 4.640 0.019 0.000 0.205 690 D C 2.155 178.491 176.300 0.061 0.000 0.962 690 D CA 1.043 55.110 54.000 0.110 0.000 0.860 690 D CB -0.376 40.507 40.800 0.138 0.000 0.955 690 D HN 0.750 nan 8.370 nan 0.000 0.505 691 E N 0.977 121.206 120.200 0.048 0.000 2.028 691 E HA -0.073 4.288 4.350 0.019 0.000 0.190 691 E C 2.321 178.929 176.600 0.012 0.000 0.984 691 E CA 0.574 56.993 56.400 0.032 0.000 0.800 691 E CB -0.393 29.331 29.700 0.041 0.000 0.758 691 E HN -0.031 nan 8.360 nan 0.000 0.448 692 V N 1.620 121.547 119.914 0.022 0.000 2.252 692 V HA -0.302 3.830 4.120 0.019 0.000 0.249 692 V C 2.486 178.567 176.094 -0.023 0.000 1.056 692 V CA 2.227 64.533 62.300 0.009 0.000 1.022 692 V CB -0.463 31.382 31.823 0.038 0.000 0.641 692 V HN 0.261 nan 8.190 nan 0.000 0.445 693 M N -0.285 119.248 119.600 -0.112 0.000 2.358 693 M HA -0.156 4.336 4.480 0.019 0.000 0.264 693 M C 2.018 178.198 176.300 -0.199 0.000 1.064 693 M CA 1.726 56.863 55.300 -0.271 0.000 1.093 693 M CB -0.698 31.410 32.600 -0.820 0.000 1.401 693 M HN 0.506 nan 8.290 nan 0.000 0.440 694 Q N -0.427 119.317 119.800 -0.093 0.000 2.033 694 Q HA -0.093 4.258 4.340 0.019 0.000 0.196 694 Q C 1.896 177.896 176.000 -0.000 0.000 0.970 694 Q CA 1.328 57.123 55.803 -0.013 0.000 0.828 694 Q CB -0.283 28.469 28.738 0.022 0.000 0.895 694 Q HN 0.565 nan 8.270 nan 0.000 0.440 695 L N 0.767 121.990 121.223 -0.000 0.000 2.261 695 L HA -0.181 4.171 4.340 0.019 0.000 0.216 695 L C 2.275 179.155 176.870 0.017 0.000 1.114 695 L CA 0.708 55.551 54.840 0.005 0.000 0.777 695 L CB -0.220 41.838 42.059 -0.001 0.000 0.910 695 L HN 0.338 nan 8.230 nan 0.000 0.440 696 L N -1.224 120.023 121.223 0.039 0.000 2.162 696 L HA -0.103 4.249 4.340 0.019 0.000 0.205 696 L C 2.285 179.235 176.870 0.133 0.000 1.086 696 L CA 0.627 55.518 54.840 0.085 0.000 0.778 696 L CB -0.160 41.997 42.059 0.163 0.000 0.928 696 L HN 0.222 nan 8.230 nan 0.000 0.446 697 L N -0.122 121.171 121.223 0.116 0.000 2.291 697 L HA -0.158 4.194 4.340 0.019 0.000 0.214 697 L C 2.565 179.461 176.870 0.043 0.000 1.120 697 L CA 0.900 55.800 54.840 0.100 0.000 0.799 697 L CB -0.241 41.832 42.059 0.022 0.000 0.925 697 L HN 0.349 nan 8.230 nan 0.000 0.446 698 E N 0.282 120.491 120.200 0.016 0.000 2.107 698 E HA -0.243 4.119 4.350 0.019 0.000 0.191 698 E C 1.908 178.479 176.600 -0.048 0.000 0.982 698 E CA 0.767 57.155 56.400 -0.019 0.000 0.809 698 E CB -0.034 29.652 29.700 -0.024 0.000 0.756 698 E HN 0.367 nan 8.360 nan 0.000 0.459 699 N N 0.761 119.442 118.700 -0.032 0.000 2.205 699 N HA -0.145 4.607 4.740 0.019 0.000 0.186 699 N C 1.742 177.221 175.510 -0.053 0.000 1.015 699 N CA 0.992 54.007 53.050 -0.058 0.000 0.862 699 N CB -0.001 38.478 38.487 -0.013 0.000 0.986 699 N HN 0.315 nan 8.380 nan 0.000 0.429 700 L N -1.141 120.078 121.223 -0.007 0.000 2.556 700 L HA 0.229 4.581 4.340 0.019 0.000 0.226 700 L C 2.315 179.182 176.870 -0.005 0.000 1.089 700 L CA 0.292 55.136 54.840 0.008 0.000 0.864 700 L CB -0.222 41.875 42.059 0.062 0.000 1.067 700 L HN 0.068 nan 8.230 nan 0.000 0.477 701 G N 0.403 109.193 108.800 -0.015 0.000 2.421 701 G HA2 -0.205 3.766 3.960 0.019 0.000 0.216 701 G HA3 -0.205 3.766 3.960 0.019 0.000 0.216 701 G C 0.511 175.391 174.900 -0.034 0.000 1.171 701 G CA 0.415 45.504 45.100 -0.020 0.000 0.775 701 G HN 0.260 nan 8.290 nan 0.000 0.543 702 N N 0.562 119.226 118.700 -0.061 0.000 2.419 702 N HA 0.401 5.152 4.740 0.019 0.000 0.277 702 N C -0.643 174.824 175.510 -0.071 0.000 1.006 702 N CA -0.498 52.513 53.050 -0.065 0.000 0.923 702 N CB 1.112 39.551 38.487 -0.081 0.000 1.140 702 N HN 0.484 nan 8.380 nan 0.000 0.488 703 E N 1.530 121.705 120.200 -0.042 0.000 2.820 703 E HA -0.148 4.214 4.350 0.019 0.000 0.251 703 E C -0.123 176.458 176.600 -0.032 0.000 0.944 703 E CA 0.471 56.852 56.400 -0.032 0.000 0.955 703 E CB 0.292 29.979 29.700 -0.021 0.000 0.904 703 E HN 0.490 nan 8.360 nan 0.000 0.513 704 N N 2.727 121.418 118.700 -0.014 0.000 2.358 704 N HA 0.014 4.765 4.740 0.019 0.000 0.209 704 N C 0.589 176.115 175.510 0.027 0.000 1.033 704 N CA 1.033 54.101 53.050 0.031 0.000 1.021 704 N CB 0.082 38.640 38.487 0.118 0.000 1.244 704 N HN 0.374 nan 8.380 nan 0.000 0.523 705 V N -0.298 119.669 119.914 0.088 0.000 3.815 705 V HA 0.174 4.306 4.120 0.019 0.000 0.284 705 V C 0.198 176.362 176.094 0.116 0.000 1.266 705 V CA -0.543 61.839 62.300 0.136 0.000 0.923 705 V CB 0.887 32.879 31.823 0.282 0.000 1.267 705 V HN 0.445 nan 8.190 nan 0.000 0.461 706 H N 0.841 119.884 119.070 -0.044 0.000 2.476 706 H HA 0.381 4.948 4.556 0.019 0.000 0.256 706 H C 1.215 176.355 175.328 -0.312 0.000 1.321 706 H CA 0.322 56.246 56.048 -0.206 0.000 1.056 706 H CB -0.327 29.253 29.762 -0.304 0.000 1.643 706 H HN 0.682 nan 8.280 nan 0.000 0.541 707 R N -0.730 119.803 120.500 0.055 0.000 3.584 707 R HA -0.205 4.146 4.340 0.019 0.000 0.488 707 R C -0.121 176.276 176.300 0.160 0.000 0.869 707 R CA 1.343 57.496 56.100 0.089 0.000 1.325 707 R CB -2.340 27.962 30.300 0.004 0.000 2.015 707 R HN 0.350 nan 8.270 nan 0.000 0.489 708 S N 0.458 116.217 115.700 0.098 0.000 2.423 708 S HA -0.019 4.463 4.470 0.019 0.000 0.231 708 S C 1.846 176.508 174.600 0.104 0.000 1.014 708 S CA 1.216 59.493 58.200 0.129 0.000 0.965 708 S CB 0.132 63.361 63.200 0.050 0.000 0.785 708 S HN 0.261 nan 8.310 nan 0.000 0.495 709 V N 2.285 122.245 119.914 0.077 0.000 2.261 709 V HA -0.197 3.935 4.120 0.019 0.000 0.246 709 V C 2.528 178.635 176.094 0.022 0.000 1.047 709 V CA 1.781 64.118 62.300 0.061 0.000 1.015 709 V CB -0.585 31.284 31.823 0.078 0.000 0.642 709 V HN 0.446 nan 8.190 nan 0.000 0.446 710 K N 0.429 120.851 120.400 0.036 0.000 2.052 710 K HA -0.229 4.102 4.320 0.019 0.000 0.215 710 K C -0.055 176.515 176.600 -0.051 0.000 1.053 710 K CA 2.451 58.738 56.287 -0.000 0.000 0.934 710 K CB -1.336 31.191 32.500 0.045 0.000 0.717 710 K HN 0.445 nan 8.250 nan 0.000 0.450 711 P HA -0.162 nan 4.420 nan 0.000 0.221 711 P C 0.729 177.978 177.300 -0.085 0.000 1.145 711 P CA 1.392 64.448 63.100 -0.073 0.000 0.795 711 P CB 0.057 31.700 31.700 -0.095 0.000 0.775 712 Q N -0.909 118.845 119.800 -0.077 0.000 2.376 712 Q HA 0.139 4.491 4.340 0.019 0.000 0.206 712 Q C 2.386 178.287 176.000 -0.166 0.000 0.921 712 Q CA 0.446 56.197 55.803 -0.087 0.000 0.911 712 Q CB -0.301 28.413 28.738 -0.040 0.000 1.032 712 Q HN 0.385 nan 8.270 nan 0.000 0.510 713 I N 0.387 120.814 120.570 -0.239 0.000 2.406 713 I HA -0.210 3.972 4.170 0.019 0.000 0.249 713 I C 2.078 177.711 176.117 -0.807 0.000 1.122 713 I CA 0.603 61.631 61.300 -0.453 0.000 1.431 713 I CB -0.050 37.703 38.000 -0.412 0.000 1.087 713 I HN 0.098 nan 8.210 nan 0.000 0.424 714 L N -0.298 120.597 121.223 -0.546 0.000 1.994 714 L HA -0.234 4.118 4.340 0.019 0.000 0.208 714 L C 2.687 179.423 176.870 -0.223 0.000 1.071 714 L CA 1.389 55.984 54.840 -0.408 0.000 0.745 714 L CB -0.646 41.327 42.059 -0.143 0.000 0.892 714 L HN 0.136 nan 8.230 nan 0.000 0.431 715 S N -0.618 114.992 115.700 -0.149 0.000 2.374 715 S HA -0.182 4.299 4.470 0.019 0.000 0.227 715 S C 1.949 176.519 174.600 -0.049 0.000 1.037 715 S CA 1.342 59.502 58.200 -0.066 0.000 1.024 715 S CB -0.269 62.902 63.200 -0.048 0.000 0.861 715 S HN 0.178 nan 8.310 nan 0.000 0.456 716 V N 1.116 120.964 119.914 -0.109 0.000 2.626 716 V HA -0.098 4.034 4.120 0.019 0.000 0.252 716 V C 1.843 177.987 176.094 0.083 0.000 1.067 716 V CA 1.212 63.486 62.300 -0.044 0.000 1.081 716 V CB -0.774 31.000 31.823 -0.083 0.000 0.686 716 V HN 0.405 nan 8.190 nan 0.000 0.468 717 F N 1.453 121.422 119.950 0.032 0.000 2.202 717 F HA -0.100 4.439 4.527 0.020 0.000 0.301 717 F C 2.334 178.141 175.800 0.012 0.000 1.082 717 F CA 1.221 59.280 58.000 0.099 0.000 1.313 717 F CB -1.467 37.616 39.000 0.138 0.000 1.024 717 F HN 0.237 nan 8.300 nan 0.000 0.495 718 G N -0.669 108.216 108.800 0.141 0.000 2.408 718 G HA2 -0.192 3.779 3.960 0.019 0.000 0.217 718 G HA3 -0.192 3.779 3.960 0.019 0.000 0.217 718 G C 1.469 176.355 174.900 -0.023 0.000 1.150 718 G CA 0.788 45.885 45.100 -0.005 0.000 0.776 718 G HN 0.211 nan 8.290 nan 0.000 0.542 719 D N 0.693 121.109 120.400 0.026 0.000 2.097 719 D HA -0.086 4.566 4.640 0.019 0.000 0.195 719 D C 2.478 178.800 176.300 0.036 0.000 0.989 719 D CA 0.527 54.542 54.000 0.024 0.000 0.827 719 D CB -0.181 40.638 40.800 0.030 0.000 0.966 719 D HN 0.223 nan 8.370 nan 0.000 0.456 720 I N 1.701 122.325 120.570 0.091 0.000 2.127 720 I HA -0.279 3.902 4.170 0.019 0.000 0.241 720 I C 2.454 178.608 176.117 0.062 0.000 1.075 720 I CA 1.134 62.517 61.300 0.139 0.000 1.334 720 I CB -0.723 37.440 38.000 0.272 0.000 1.040 720 I HN -0.081 nan 8.210 nan 0.000 0.405 721 A N 0.393 123.108 122.820 -0.175 0.000 1.870 721 A HA -0.289 4.043 4.320 0.019 0.000 0.219 721 A C 2.345 179.818 177.584 -0.186 0.000 1.224 721 A CA 2.378 54.088 52.037 -0.545 0.000 0.650 721 A CB -1.374 17.106 19.000 -0.866 0.000 0.836 721 A HN 0.439 nan 8.150 nan 0.000 0.454 722 L N -1.308 119.848 121.223 -0.113 0.000 2.129 722 L HA -0.229 4.123 4.340 0.019 0.000 0.212 722 L C 2.861 179.731 176.870 -0.000 0.000 1.087 722 L CA 1.198 56.011 54.840 -0.043 0.000 0.757 722 L CB -0.315 41.733 42.059 -0.019 0.000 0.896 722 L HN 0.507 nan 8.230 nan 0.000 0.434 723 A N -0.452 122.383 122.820 0.025 0.000 2.095 723 A HA 0.118 4.450 4.320 0.019 0.000 0.212 723 A C 1.876 179.507 177.584 0.079 0.000 1.162 723 A CA 0.742 52.813 52.037 0.056 0.000 0.753 723 A CB -0.154 18.889 19.000 0.072 0.000 0.840 723 A HN 0.542 nan 8.150 nan 0.000 0.468 724 I N -5.751 114.876 120.570 0.096 0.000 4.338 724 I HA 0.480 4.661 4.170 0.019 0.000 0.329 724 I C 1.135 177.330 176.117 0.129 0.000 1.378 724 I CA 0.184 61.562 61.300 0.130 0.000 1.170 724 I CB -0.139 37.975 38.000 0.190 0.000 1.206 724 I HN 0.276 nan 8.210 nan 0.000 0.432 725 G N 2.440 111.295 108.800 0.092 0.000 2.651 725 G HA2 -0.402 3.570 3.960 0.019 0.000 0.315 725 G HA3 -0.402 3.570 3.960 0.019 0.000 0.315 725 G C 0.954 175.928 174.900 0.124 0.000 1.258 725 G CA 0.516 45.661 45.100 0.075 0.000 1.002 725 G HN 0.699 nan 8.290 nan 0.000 0.551 726 G N -0.108 108.748 108.800 0.094 0.000 2.882 726 G HA2 0.270 4.242 3.960 0.019 0.000 0.206 726 G HA3 0.270 4.242 3.960 0.019 0.000 0.206 726 G C 1.174 176.139 174.900 0.108 0.000 1.155 726 G CA 1.398 46.556 45.100 0.097 0.000 0.800 726 G HN 0.734 nan 8.290 nan 0.000 0.524 727 E N -0.628 119.656 120.200 0.141 0.000 2.478 727 E HA 0.139 4.501 4.350 0.019 0.000 0.194 727 E C 1.435 178.160 176.600 0.208 0.000 1.045 727 E CA -0.240 56.244 56.400 0.139 0.000 0.868 727 E CB -0.221 29.564 29.700 0.142 0.000 0.885 727 E HN 0.357 nan 8.360 nan 0.000 0.505 728 F N 1.069 121.078 119.950 0.099 0.000 2.456 728 F HA 0.048 4.586 4.527 0.019 0.000 0.298 728 F C 1.556 177.405 175.800 0.082 0.000 1.104 728 F CA 0.890 58.976 58.000 0.143 0.000 1.435 728 F CB 0.192 39.251 39.000 0.098 0.000 1.078 728 F HN -0.076 nan 8.300 nan 0.000 0.546 729 K N 0.582 121.059 120.400 0.128 0.000 2.049 729 K HA -0.322 4.009 4.320 0.019 0.000 0.219 729 K C 1.874 178.382 176.600 -0.153 0.000 1.056 729 K CA 2.523 58.820 56.287 0.017 0.000 0.946 729 K CB -0.416 32.089 32.500 0.008 0.000 0.723 729 K HN 0.224 nan 8.250 nan 0.000 0.453 730 K N -0.076 120.154 120.400 -0.283 0.000 2.097 730 K HA -0.244 4.088 4.320 0.019 0.000 0.214 730 K C 2.112 178.319 176.600 -0.654 0.000 1.052 730 K CA 2.408 58.362 56.287 -0.554 0.000 0.932 730 K CB -0.395 31.557 32.500 -0.913 0.000 0.716 730 K HN 0.330 nan 8.250 nan 0.000 0.455 731 Y N -0.503 119.557 120.300 -0.400 0.000 2.503 731 Y HA 0.105 4.667 4.550 0.019 0.000 0.277 731 Y C 1.874 177.469 175.900 -0.508 0.000 1.102 731 Y CA -0.347 57.440 58.100 -0.521 0.000 1.261 731 Y CB -0.307 37.708 38.460 -0.742 0.000 1.096 731 Y HN -0.085 nan 8.280 nan 0.000 0.546 732 L N 1.560 122.585 121.223 -0.330 0.000 2.171 732 L HA -0.315 4.037 4.340 0.019 0.000 0.216 732 L C 2.191 179.047 176.870 -0.022 0.000 1.084 732 L CA 2.004 56.835 54.840 -0.014 0.000 0.771 732 L CB -0.642 41.521 42.059 0.173 0.000 0.890 732 L HN 0.437 nan 8.230 nan 0.000 0.437 733 E N -0.759 119.396 120.200 -0.075 0.000 2.007 733 E HA -0.229 4.132 4.350 0.019 0.000 0.203 733 E C 1.836 178.400 176.600 -0.060 0.000 1.020 733 E CA 2.592 58.956 56.400 -0.060 0.000 0.845 733 E CB -0.229 29.418 29.700 -0.088 0.000 0.779 733 E HN 0.376 nan 8.360 nan 0.000 0.466 734 V N 0.877 120.739 119.914 -0.086 0.000 2.970 734 V HA -0.136 3.995 4.120 0.019 0.000 0.260 734 V C 2.390 178.428 176.094 -0.094 0.000 1.100 734 V CA 0.859 63.112 62.300 -0.078 0.000 1.122 734 V CB 0.134 31.912 31.823 -0.074 0.000 0.721 734 V HN 0.207 nan 8.190 nan 0.000 0.483 735 V N 0.300 120.128 119.914 -0.143 0.000 2.295 735 V HA -0.215 3.916 4.120 0.019 0.000 0.246 735 V C 2.168 178.246 176.094 -0.027 0.000 1.049 735 V CA 1.894 64.102 62.300 -0.152 0.000 1.024 735 V CB -0.456 31.278 31.823 -0.148 0.000 0.648 735 V HN 0.486 nan 8.190 nan 0.000 0.447 736 L N 0.198 121.424 121.223 0.005 0.000 2.633 736 L HA -0.078 4.274 4.340 0.019 0.000 0.235 736 L C 1.910 178.780 176.870 -0.001 0.000 1.163 736 L CA 0.685 55.545 54.840 0.034 0.000 0.859 736 L CB -0.808 41.304 42.059 0.088 0.000 0.973 736 L HN 0.392 nan 8.230 nan 0.000 0.451 737 N N -0.356 118.332 118.700 -0.019 0.000 2.131 737 N HA -0.116 4.636 4.740 0.019 0.000 0.190 737 N C 1.776 177.275 175.510 -0.018 0.000 1.055 737 N CA 1.780 54.810 53.050 -0.032 0.000 0.853 737 N CB -0.307 38.162 38.487 -0.030 0.000 1.035 737 N HN 0.046 nan 8.380 nan 0.000 0.440 738 T N 1.401 115.963 114.554 0.013 0.000 2.721 738 T HA -0.139 4.222 4.350 0.019 0.000 0.268 738 T C 1.896 176.609 174.700 0.022 0.000 1.038 738 T CA 0.940 63.064 62.100 0.039 0.000 1.145 738 T CB -0.422 68.514 68.868 0.114 0.000 0.858 738 T HN 0.115 nan 8.240 nan 0.000 0.459 739 L N 0.331 121.559 121.223 0.008 0.000 2.005 739 L HA -0.140 4.211 4.340 0.019 0.000 0.207 739 L C 2.946 179.842 176.870 0.043 0.000 1.072 739 L CA 1.402 56.221 54.840 -0.035 0.000 0.744 739 L CB -0.556 41.393 42.059 -0.183 0.000 0.895 739 L HN 0.224 nan 8.230 nan 0.000 0.433 740 Q N 0.300 120.114 119.800 0.023 0.000 2.014 740 Q HA -0.313 4.039 4.340 0.019 0.000 0.207 740 Q C 2.177 178.128 176.000 -0.081 0.000 0.993 740 Q CA 2.169 57.898 55.803 -0.123 0.000 0.850 740 Q CB -0.312 28.262 28.738 -0.274 0.000 0.916 740 Q HN 0.368 nan 8.270 nan 0.000 0.417 741 Q N -1.331 118.435 119.800 -0.057 0.000 2.124 741 Q HA -0.116 4.235 4.340 0.019 0.000 0.202 741 Q C 1.667 177.676 176.000 0.014 0.000 0.977 741 Q CA 1.331 57.119 55.803 -0.024 0.000 0.850 741 Q CB -0.237 28.489 28.738 -0.020 0.000 0.901 741 Q HN 0.502 nan 8.270 nan 0.000 0.429 742 A N -0.463 122.362 122.820 0.008 0.000 2.119 742 A HA -0.036 4.296 4.320 0.019 0.000 0.217 742 A C 2.036 179.608 177.584 -0.021 0.000 1.153 742 A CA 1.133 53.174 52.037 0.006 0.000 0.692 742 A CB -0.047 18.948 19.000 -0.009 0.000 0.799 742 A HN 0.339 nan 8.150 nan 0.000 0.458 743 S N -0.322 115.341 115.700 -0.062 0.000 2.406 743 S HA -0.087 4.395 4.470 0.019 0.000 0.224 743 S C 1.745 176.412 174.600 0.111 0.000 1.030 743 S CA 0.718 58.763 58.200 -0.260 0.000 0.958 743 S CB -0.174 62.674 63.200 -0.587 0.000 0.811 743 S HN 0.705 nan 8.310 nan 0.000 0.489 744 Q N 1.142 121.034 119.800 0.154 0.000 2.541 744 Q HA 0.208 4.560 4.340 0.019 0.000 0.215 744 Q C 0.559 176.635 176.000 0.127 0.000 0.977 744 Q CA -0.034 55.860 55.803 0.152 0.000 0.934 744 Q CB -0.260 28.539 28.738 0.101 0.000 0.988 744 Q HN 0.499 nan 8.270 nan 0.000 0.521 745 A N 1.540 124.437 122.820 0.128 0.000 2.565 745 A HA 0.064 4.396 4.320 0.019 0.000 0.237 745 A C 0.014 177.692 177.584 0.156 0.000 1.053 745 A CA 0.343 52.459 52.037 0.131 0.000 0.755 745 A CB 0.209 19.288 19.000 0.131 0.000 0.980 745 A HN 0.243 nan 8.150 nan 0.000 0.506 746 Q N 0.830 120.711 119.800 0.135 0.000 2.359 746 Q HA 0.647 4.999 4.340 0.019 0.000 0.274 746 Q C -0.931 175.138 176.000 0.116 0.000 1.074 746 Q CA -0.318 55.565 55.803 0.133 0.000 0.810 746 Q CB 2.176 30.980 28.738 0.111 0.000 1.342 746 Q HN 1.423 nan 8.270 nan 0.000 0.427 754 M N 1.256 120.882 119.600 0.044 0.000 2.551 754 M HA 0.344 4.835 4.480 0.019 0.000 0.252 754 M C 0.822 177.213 176.300 0.151 0.000 1.219 754 M CA -0.542 54.812 55.300 0.089 0.000 0.978 754 M CB -0.208 32.367 32.600 -0.041 0.000 1.533 754 M HN 0.159 nan 8.290 nan 0.000 0.474 755 V N 0.449 120.426 119.914 0.106 0.000 3.816 755 V HA 0.110 4.241 4.120 0.019 0.000 0.281 755 V C 1.325 177.490 176.094 0.118 0.000 1.027 755 V CA 0.782 63.145 62.300 0.104 0.000 1.032 755 V CB 0.644 32.501 31.823 0.057 0.000 1.226 755 V HN 0.655 nan 8.190 nan 0.000 0.448 756 D N -1.270 119.180 120.400 0.083 0.000 3.110 756 D HA -0.336 4.316 4.640 0.019 0.000 0.175 756 D C 0.866 177.231 176.300 0.109 0.000 1.727 756 D CA 2.725 56.772 54.000 0.078 0.000 1.964 756 D CB -1.203 39.639 40.800 0.069 0.000 1.348 756 D HN 0.944 nan 8.370 nan 0.000 0.416 757 Y N 0.344 120.660 120.300 0.026 0.000 2.314 757 Y HA 0.124 4.686 4.550 0.019 0.000 0.294 757 Y C 2.133 178.060 175.900 0.045 0.000 1.119 757 Y CA 1.360 59.479 58.100 0.031 0.000 1.179 757 Y CB -0.315 38.160 38.460 0.025 0.000 1.025 757 Y HN 0.177 nan 8.280 nan 0.000 0.541 758 L N 1.183 122.470 121.223 0.106 0.000 2.046 758 L HA -0.220 4.132 4.340 0.019 0.000 0.208 758 L C 1.569 178.427 176.870 -0.019 0.000 1.077 758 L CA 2.346 57.208 54.840 0.036 0.000 0.747 758 L CB -0.973 41.157 42.059 0.119 0.000 0.896 758 L HN 0.320 nan 8.230 nan 0.000 0.432 759 N N -0.897 117.804 118.700 0.002 0.000 2.142 759 N HA -0.211 4.540 4.740 0.019 0.000 0.186 759 N C 1.746 177.242 175.510 -0.023 0.000 1.023 759 N CA 1.123 54.178 53.050 0.008 0.000 0.852 759 N CB -0.180 38.319 38.487 0.021 0.000 0.998 759 N HN 0.465 nan 8.380 nan 0.000 0.424 760 E N 0.622 120.781 120.200 -0.068 0.000 2.160 760 E HA -0.184 4.178 4.350 0.019 0.000 0.195 760 E C 1.820 178.339 176.600 -0.134 0.000 0.991 760 E CA 0.675 57.022 56.400 -0.088 0.000 0.810 760 E CB 0.091 29.736 29.700 -0.092 0.000 0.742 760 E HN 0.204 nan 8.360 nan 0.000 0.466 761 L N 0.746 121.824 121.223 -0.241 0.000 2.131 761 L HA -0.027 4.324 4.340 0.019 0.000 0.206 761 L C 2.076 178.938 176.870 -0.013 0.000 1.087 761 L CA 1.449 56.163 54.840 -0.210 0.000 0.767 761 L CB -0.138 41.700 42.059 -0.369 0.000 0.917 761 L HN -0.057 nan 8.230 nan 0.000 0.441 762 R N -0.480 120.067 120.500 0.079 0.000 2.092 762 R HA -0.158 4.193 4.340 0.019 0.000 0.231 762 R C 2.179 178.622 176.300 0.238 0.000 1.119 762 R CA 1.441 57.720 56.100 0.298 0.000 0.970 762 R CB -0.293 30.153 30.300 0.245 0.000 0.864 762 R HN 0.519 nan 8.270 nan 0.000 0.440 763 E N 0.358 120.619 120.200 0.102 0.000 2.106 763 E HA -0.124 4.238 4.350 0.019 0.000 0.192 763 E C 1.617 178.264 176.600 0.080 0.000 0.984 763 E CA 1.101 57.547 56.400 0.076 0.000 0.806 763 E CB 0.194 29.912 29.700 0.030 0.000 0.750 763 E HN 0.158 nan 8.360 nan 0.000 0.458 764 S N -0.040 115.688 115.700 0.047 0.000 2.356 764 S HA -0.172 4.310 4.470 0.019 0.000 0.223 764 S C 2.112 176.740 174.600 0.046 0.000 1.032 764 S CA 1.131 59.343 58.200 0.020 0.000 1.005 764 S CB -0.335 62.847 63.200 -0.029 0.000 0.867 764 S HN 0.463 nan 8.310 nan 0.000 0.449 765 C N 1.597 120.947 119.300 0.083 0.000 2.432 765 C HA -0.009 4.462 4.460 0.019 0.000 0.277 765 C C 2.520 177.664 174.990 0.256 0.000 1.249 765 C CA 0.450 59.518 59.018 0.082 0.000 1.725 765 C CB -1.641 26.134 27.740 0.057 0.000 2.028 765 C HN 0.516 nan 8.230 nan 0.000 0.477 766 L N 0.684 122.126 121.223 0.366 0.000 1.990 766 L HA -0.225 4.127 4.340 0.019 0.000 0.213 766 L C 2.683 179.694 176.870 0.235 0.000 1.072 766 L CA 1.775 56.828 54.840 0.355 0.000 0.755 766 L CB -0.860 41.334 42.059 0.225 0.000 0.889 766 L HN 0.435 nan 8.230 nan 0.000 0.432 767 E N -0.116 120.170 120.200 0.143 0.000 2.160 767 E HA -0.238 4.124 4.350 0.019 0.000 0.195 767 E C 2.254 178.904 176.600 0.084 0.000 0.991 767 E CA 1.129 57.586 56.400 0.095 0.000 0.810 767 E CB -0.132 29.602 29.700 0.056 0.000 0.742 767 E HN 0.540 nan 8.360 nan 0.000 0.466 768 A N 0.530 123.388 122.820 0.063 0.000 1.872 768 A HA -0.166 4.165 4.320 0.019 0.000 0.214 768 A C 1.821 179.423 177.584 0.030 0.000 1.187 768 A CA 1.041 53.088 52.037 0.016 0.000 0.614 768 A CB -0.757 18.219 19.000 -0.041 0.000 0.826 768 A HN 0.217 nan 8.150 nan 0.000 0.442 769 Y N 1.037 121.397 120.300 0.099 0.000 2.114 769 Y HA -0.219 4.342 4.550 0.019 0.000 0.282 769 Y C 3.008 178.953 175.900 0.074 0.000 1.165 769 Y CA 1.957 60.117 58.100 0.101 0.000 1.148 769 Y CB -1.125 37.409 38.460 0.122 0.000 0.972 769 Y HN 0.298 nan 8.280 nan 0.000 0.504 770 T N -0.860 113.827 114.554 0.223 0.000 2.708 770 T HA -0.179 4.183 4.350 0.019 0.000 0.266 770 T C 2.252 176.999 174.700 0.079 0.000 1.037 770 T CA 1.494 63.677 62.100 0.137 0.000 1.146 770 T CB -1.018 67.921 68.868 0.117 0.000 0.865 770 T HN 0.575 nan 8.240 nan 0.000 0.435 771 G N 0.946 109.774 108.800 0.046 0.000 2.440 771 G HA2 -0.170 3.802 3.960 0.019 0.000 0.218 771 G HA3 -0.170 3.802 3.960 0.019 0.000 0.218 771 G C 1.488 176.331 174.900 -0.094 0.000 1.154 771 G CA 0.659 45.747 45.100 -0.021 0.000 0.767 771 G HN 0.398 nan 8.290 nan 0.000 0.552 772 I N 0.231 120.745 120.570 -0.093 0.000 2.163 772 I HA -0.084 4.098 4.170 0.019 0.000 0.240 772 I C 2.904 179.004 176.117 -0.028 0.000 1.081 772 I CA 0.588 61.794 61.300 -0.158 0.000 1.353 772 I CB -0.467 37.504 38.000 -0.048 0.000 1.054 772 I HN 0.039 nan 8.210 nan 0.000 0.407 773 V N 0.149 120.104 119.914 0.069 0.000 2.233 773 V HA -0.313 3.818 4.120 0.019 0.000 0.247 773 V C 2.445 178.547 176.094 0.014 0.000 1.050 773 V CA 1.742 64.084 62.300 0.071 0.000 1.010 773 V CB -0.806 31.081 31.823 0.106 0.000 0.637 773 V HN 0.458 nan 8.190 nan 0.000 0.444 774 Q N 0.028 119.840 119.800 0.019 0.000 2.291 774 Q HA -0.116 4.236 4.340 0.019 0.000 0.206 774 Q C 2.274 178.270 176.000 -0.007 0.000 0.976 774 Q CA 1.581 57.393 55.803 0.015 0.000 0.875 774 Q CB -0.606 28.154 28.738 0.036 0.000 0.927 774 Q HN 0.743 nan 8.270 nan 0.000 0.450 775 G N 0.139 108.918 108.800 -0.035 0.000 2.408 775 G HA2 -0.097 3.875 3.960 0.019 0.000 0.215 775 G HA3 -0.097 3.875 3.960 0.019 0.000 0.215 775 G C 1.320 176.199 174.900 -0.035 0.000 1.156 775 G CA 0.074 45.136 45.100 -0.062 0.000 0.793 775 G HN 0.284 nan 8.290 nan 0.000 0.535 776 L N -0.295 120.917 121.223 -0.018 0.000 2.607 776 L HA 0.322 4.674 4.340 0.019 0.000 0.228 776 L C 1.258 178.135 176.870 0.012 0.000 1.123 776 L CA 0.045 54.896 54.840 0.018 0.000 0.890 776 L CB 0.167 42.260 42.059 0.056 0.000 1.103 776 L HN 0.050 nan 8.230 nan 0.000 0.468 777 K N 0.197 120.596 120.400 -0.002 0.000 2.303 777 K HA 0.629 4.961 4.320 0.019 0.000 0.233 777 K C -0.358 176.232 176.600 -0.018 0.000 1.046 777 K CA -0.398 55.889 56.287 -0.001 0.000 0.895 777 K CB 1.889 34.392 32.500 0.006 0.000 1.220 777 K HN -0.045 nan 8.250 nan 0.000 0.470 778 G N -0.054 108.727 108.800 -0.032 0.000 2.685 778 G HA2 0.334 4.306 3.960 0.019 0.000 0.298 778 G HA3 0.334 4.306 3.960 0.019 0.000 0.298 778 G C -0.809 174.058 174.900 -0.055 0.000 1.277 778 G CA -0.278 44.755 45.100 -0.111 0.000 0.986 778 G HN 0.678 nan 8.290 nan 0.000 0.487 779 D N -1.823 118.537 120.400 -0.066 0.000 3.000 779 D HA 0.100 4.751 4.640 0.019 0.000 0.190 779 D C 0.491 176.774 176.300 -0.029 0.000 1.503 779 D CA 0.005 53.990 54.000 -0.025 0.000 1.496 779 D CB 0.383 41.176 40.800 -0.012 0.000 1.163 779 D HN 0.248 nan 8.370 nan 0.000 0.231 780 Q N 1.500 121.280 119.800 -0.033 0.000 2.810 780 Q HA 0.213 4.564 4.340 0.019 0.000 0.236 780 Q C -0.808 175.156 176.000 -0.059 0.000 1.278 780 Q CA -0.068 55.715 55.803 -0.032 0.000 1.065 780 Q CB 0.424 29.153 28.738 -0.015 0.000 1.364 780 Q HN 0.191 nan 8.270 nan 0.000 0.570 781 E N 0.857 120.990 120.200 -0.112 0.000 2.351 781 E HA 0.198 4.559 4.350 0.019 0.000 0.255 781 E C -0.441 176.103 176.600 -0.093 0.000 1.188 781 E CA -0.143 56.159 56.400 -0.163 0.000 0.940 781 E CB 0.848 30.307 29.700 -0.402 0.000 1.094 781 E HN 0.497 nan 8.360 nan 0.000 0.474 782 N N -0.124 118.530 118.700 -0.076 0.000 2.432 782 N HA 0.248 4.999 4.740 0.019 0.000 0.292 782 N C -0.897 174.584 175.510 -0.048 0.000 1.193 782 N CA -0.742 52.282 53.050 -0.043 0.000 0.878 782 N CB 1.714 40.193 38.487 -0.012 0.000 1.252 782 N HN 0.190 nan 8.380 nan 0.000 0.520 783 V N 0.824 120.748 119.914 0.017 0.000 3.287 783 V HA -0.092 4.040 4.120 0.019 0.000 0.306 783 V C 1.275 177.419 176.094 0.083 0.000 1.103 783 V CA 0.645 63.004 62.300 0.098 0.000 1.159 783 V CB 0.314 32.214 31.823 0.127 0.000 1.036 783 V HN 0.687 nan 8.190 nan 0.000 0.487 784 H N 3.380 122.453 119.070 0.006 0.000 2.497 784 H HA 0.133 4.701 4.556 0.019 0.000 0.282 784 H C -1.197 174.133 175.328 0.003 0.000 1.003 784 H CA 1.220 57.267 56.048 -0.003 0.000 1.307 784 H CB -0.055 29.695 29.762 -0.019 0.000 1.437 784 H HN 0.637 nan 8.280 nan 0.000 0.544 785 P HA 0.094 nan 4.420 nan 0.000 0.275 785 P C 0.591 177.950 177.300 0.100 0.000 1.310 785 P CA 0.278 63.449 63.100 0.117 0.000 0.904 785 P CB 0.614 32.373 31.700 0.099 0.000 1.381 786 D N 1.174 121.624 120.400 0.083 0.000 2.157 786 D HA -0.170 4.481 4.640 0.019 0.000 0.191 786 D C 2.125 178.497 176.300 0.119 0.000 1.004 786 D CA 1.976 56.029 54.000 0.089 0.000 0.854 786 D CB -0.988 39.859 40.800 0.078 0.000 0.936 786 D HN 0.065 nan 8.370 nan 0.000 0.446 787 V N -0.446 119.532 119.914 0.106 0.000 2.313 787 V HA -0.320 3.812 4.120 0.019 0.000 0.253 787 V C 2.214 178.494 176.094 0.309 0.000 1.070 787 V CA 1.784 64.166 62.300 0.137 0.000 1.057 787 V CB -0.923 30.873 31.823 -0.044 0.000 0.653 787 V HN 0.181 nan 8.190 nan 0.000 0.450 788 M N -0.372 119.405 119.600 0.296 0.000 2.706 788 M HA 0.001 4.492 4.480 0.019 0.000 0.253 788 M C 1.931 178.360 176.300 0.215 0.000 1.063 788 M CA 1.345 56.866 55.300 0.368 0.000 1.067 788 M CB -1.024 31.728 32.600 0.252 0.000 1.423 788 M HN 0.423 nan 8.290 nan 0.000 0.530 789 L N -0.838 120.498 121.223 0.188 0.000 2.478 789 L HA -0.046 4.305 4.340 0.019 0.000 0.223 789 L C 1.928 178.879 176.870 0.135 0.000 1.140 789 L CA 0.163 55.081 54.840 0.130 0.000 0.842 789 L CB -0.012 42.117 42.059 0.117 0.000 0.953 789 L HN 0.059 nan 8.230 nan 0.000 0.452 790 V N -1.243 118.789 119.914 0.196 0.000 3.661 790 V HA -0.049 4.083 4.120 0.019 0.000 0.271 790 V C 2.062 178.178 176.094 0.036 0.000 1.315 790 V CA 0.285 62.694 62.300 0.183 0.000 1.072 790 V CB 0.396 32.394 31.823 0.293 0.000 0.830 790 V HN 0.387 nan 8.190 nan 0.000 0.443 791 Q N 1.831 121.607 119.800 -0.040 0.000 2.156 791 Q HA -0.214 4.138 4.340 0.019 0.000 0.211 791 Q C -0.299 175.541 176.000 -0.267 0.000 0.995 791 Q CA 2.642 58.201 55.803 -0.406 0.000 0.877 791 Q CB -1.158 27.469 28.738 -0.185 0.000 0.920 791 Q HN 0.508 nan 8.270 nan 0.000 0.416 792 P HA -0.098 nan 4.420 nan 0.000 0.230 792 P C 0.560 177.835 177.300 -0.041 0.000 1.158 792 P CA 0.895 63.956 63.100 -0.066 0.000 0.769 792 P CB -0.068 31.617 31.700 -0.025 0.000 0.807 793 R N -0.546 119.937 120.500 -0.028 0.000 2.223 793 R HA 0.103 4.454 4.340 0.019 0.000 0.198 793 R C 2.279 178.575 176.300 -0.008 0.000 0.984 793 R CA 0.211 56.341 56.100 0.049 0.000 1.018 793 R CB -1.796 28.590 30.300 0.144 0.000 0.945 793 R HN 0.113 nan 8.270 nan 0.000 0.479 794 V N 2.150 121.978 119.914 -0.144 0.000 2.311 794 V HA -0.335 3.797 4.120 0.019 0.000 0.256 794 V C 2.482 178.513 176.094 -0.106 0.000 1.077 794 V CA 2.409 64.598 62.300 -0.186 0.000 1.067 794 V CB -0.573 31.043 31.823 -0.346 0.000 0.659 794 V HN 0.286 nan 8.190 nan 0.000 0.451 795 E N 0.528 120.691 120.200 -0.061 0.000 2.012 795 E HA -0.282 4.080 4.350 0.019 0.000 0.197 795 E C 1.951 178.572 176.600 0.035 0.000 1.007 795 E CA 2.149 58.541 56.400 -0.013 0.000 0.816 795 E CB -0.645 29.062 29.700 0.012 0.000 0.762 795 E HN 0.506 nan 8.360 nan 0.000 0.451 796 F N 0.825 120.740 119.950 -0.058 0.000 2.134 796 F HA -0.142 4.397 4.527 0.019 0.000 0.299 796 F C 1.848 177.630 175.800 -0.031 0.000 1.097 796 F CA 1.338 59.322 58.000 -0.027 0.000 1.264 796 F CB -0.262 38.729 39.000 -0.014 0.000 1.001 796 F HN 0.097 nan 8.300 nan 0.000 0.479 797 I N 0.571 120.980 120.570 -0.268 0.000 2.163 797 I HA -0.299 3.883 4.170 0.019 0.000 0.243 797 I C 2.511 178.453 176.117 -0.291 0.000 1.085 797 I CA 1.436 62.472 61.300 -0.441 0.000 1.347 797 I CB -1.863 35.889 38.000 -0.413 0.000 1.044 797 I HN 0.239 nan 8.210 nan 0.000 0.408 798 L N 0.076 121.179 121.223 -0.200 0.000 2.201 798 L HA -0.119 4.233 4.340 0.019 0.000 0.212 798 L C 2.403 179.180 176.870 -0.156 0.000 1.105 798 L CA 0.885 55.628 54.840 -0.162 0.000 0.775 798 L CB -0.438 41.549 42.059 -0.121 0.000 0.913 798 L HN 0.167 nan 8.230 nan 0.000 0.440 799 S N -0.774 114.835 115.700 -0.153 0.000 2.478 799 S HA -0.038 4.444 4.470 0.019 0.000 0.222 799 S C 1.606 176.137 174.600 -0.114 0.000 1.008 799 S CA 0.243 58.385 58.200 -0.097 0.000 0.928 799 S CB -0.093 63.098 63.200 -0.014 0.000 0.781 799 S HN 0.385 nan 8.310 nan 0.000 0.518 800 F N 3.462 123.134 119.950 -0.463 0.000 2.293 800 F HA 0.106 4.645 4.527 0.019 0.000 0.297 800 F C 1.677 177.367 175.800 -0.183 0.000 1.089 800 F CA 0.650 58.403 58.000 -0.412 0.000 1.377 800 F CB -0.423 38.118 39.000 -0.765 0.000 1.051 800 F HN 0.221 nan 8.300 nan 0.000 0.511 801 I N -1.740 118.554 120.570 -0.460 0.000 2.546 801 I HA -0.069 4.112 4.170 0.019 0.000 0.255 801 I C 2.019 177.972 176.117 -0.274 0.000 1.163 801 I CA 1.654 62.683 61.300 -0.451 0.000 1.457 801 I CB -0.888 36.938 38.000 -0.291 0.000 1.092 801 I HN 0.051 nan 8.210 nan 0.000 0.434 802 D N 1.221 121.515 120.400 -0.176 0.000 2.117 802 D HA -0.308 4.343 4.640 0.019 0.000 0.197 802 D C 2.228 178.509 176.300 -0.031 0.000 0.987 802 D CA 1.698 55.644 54.000 -0.090 0.000 0.829 802 D CB -0.197 40.571 40.800 -0.054 0.000 0.961 802 D HN 0.533 nan 8.370 nan 0.000 0.460 803 H N -0.464 118.528 119.070 -0.130 0.000 2.457 803 H HA 0.088 4.656 4.556 0.020 0.000 0.294 803 H C 2.003 177.277 175.328 -0.090 0.000 1.064 803 H CA 1.161 57.163 56.048 -0.076 0.000 1.330 803 H CB -0.205 29.544 29.762 -0.022 0.000 1.395 803 H HN 0.214 nan 8.280 nan 0.000 0.541 804 I N -0.245 120.216 120.570 -0.183 0.000 2.315 804 I HA -0.216 3.966 4.170 0.019 0.000 0.248 804 I C 2.542 178.715 176.117 0.094 0.000 1.117 804 I CA 0.947 62.150 61.300 -0.163 0.000 1.404 804 I CB -0.326 37.494 38.000 -0.300 0.000 1.071 804 I HN 0.366 nan 8.210 nan 0.000 0.419 805 A N 0.706 123.562 122.820 0.060 0.000 2.019 805 A HA -0.101 4.231 4.320 0.019 0.000 0.219 805 A C 2.366 179.994 177.584 0.072 0.000 1.164 805 A CA 1.771 53.928 52.037 0.200 0.000 0.644 805 A CB -1.192 17.823 19.000 0.025 0.000 0.805 805 A HN 0.469 nan 8.150 nan 0.000 0.449 806 G N -0.118 108.629 108.800 -0.088 0.000 2.404 806 G HA2 -0.040 3.932 3.960 0.019 0.000 0.214 806 G HA3 -0.040 3.932 3.960 0.019 0.000 0.214 806 G C 0.057 174.795 174.900 -0.269 0.000 1.189 806 G CA 0.536 45.535 45.100 -0.170 0.000 0.789 806 G HN 0.470 nan 8.290 nan 0.000 0.533 807 D N 1.372 121.571 120.400 -0.335 0.000 2.502 807 D HA 0.136 4.788 4.640 0.019 0.000 0.249 807 D C 1.106 177.153 176.300 -0.422 0.000 1.188 807 D CA 0.155 53.971 54.000 -0.306 0.000 0.890 807 D CB 0.759 41.418 40.800 -0.235 0.000 1.140 807 D HN 0.094 nan 8.370 nan 0.000 0.505 808 E N 2.103 122.128 120.200 -0.292 0.000 2.527 808 E HA -0.120 4.242 4.350 0.019 0.000 0.204 808 E C 0.447 176.910 176.600 -0.229 0.000 1.132 808 E CA 0.430 56.664 56.400 -0.276 0.000 0.905 808 E CB 0.204 29.817 29.700 -0.144 0.000 0.875 808 E HN 0.513 nan 8.360 nan 0.000 0.548 809 D N -0.309 119.959 120.400 -0.220 0.000 2.129 809 D HA -0.080 4.571 4.640 0.019 0.000 0.220 809 D C 0.065 176.366 176.300 0.002 0.000 0.988 809 D CA 0.483 54.432 54.000 -0.085 0.000 0.904 809 D CB -0.330 40.446 40.800 -0.040 0.000 1.018 809 D HN 0.351 nan 8.370 nan 0.000 0.444 810 H N 0.160 119.200 119.070 -0.049 0.000 2.794 810 H HA -0.128 4.440 4.556 0.019 0.000 0.324 810 H C -0.222 175.086 175.328 -0.033 0.000 1.037 810 H CA 0.036 56.055 56.048 -0.048 0.000 1.062 810 H CB -1.297 28.436 29.762 -0.048 0.000 1.622 810 H HN 0.036 nan 8.280 nan 0.000 0.371 811 T N 0.708 115.311 114.554 0.081 0.000 2.817 811 T HA -0.050 4.311 4.350 0.019 0.000 0.295 811 T C 1.367 176.076 174.700 0.014 0.000 0.958 811 T CA -0.315 61.807 62.100 0.037 0.000 1.157 811 T CB 0.457 69.339 68.868 0.024 0.000 0.898 811 T HN 0.455 nan 8.240 nan 0.000 0.536 812 D N 3.702 124.107 120.400 0.010 0.000 2.354 812 D HA -0.081 4.570 4.640 0.019 0.000 0.216 812 D C 1.882 178.175 176.300 -0.012 0.000 0.970 812 D CA 1.124 55.120 54.000 -0.007 0.000 0.905 812 D CB -0.016 40.784 40.800 0.000 0.000 0.903 812 D HN 0.855 nan 8.370 nan 0.000 0.508 813 G N 0.478 109.276 108.800 -0.004 0.000 2.396 813 G HA2 -0.143 3.829 3.960 0.019 0.000 0.214 813 G HA3 -0.143 3.829 3.960 0.019 0.000 0.214 813 G C 1.863 176.758 174.900 -0.008 0.000 1.166 813 G CA 0.096 45.196 45.100 -0.001 0.000 0.793 813 G HN 0.205 nan 8.290 nan 0.000 0.533 814 V N 0.729 120.632 119.914 -0.017 0.000 2.427 814 V HA -0.144 3.987 4.120 0.019 0.000 0.248 814 V C 3.018 179.064 176.094 -0.080 0.000 1.051 814 V CA 1.322 63.603 62.300 -0.033 0.000 1.048 814 V CB -0.131 31.675 31.823 -0.028 0.000 0.666 814 V HN 0.237 nan 8.190 nan 0.000 0.456 815 V N 0.319 120.165 119.914 -0.113 0.000 2.407 815 V HA -0.232 3.900 4.120 0.019 0.000 0.248 815 V C 2.640 178.682 176.094 -0.086 0.000 1.055 815 V CA 1.862 64.065 62.300 -0.162 0.000 1.049 815 V CB -1.102 30.615 31.823 -0.176 0.000 0.662 815 V HN 0.555 nan 8.190 nan 0.000 0.455 816 A N -0.758 122.037 122.820 -0.041 0.000 1.855 816 A HA -0.236 4.095 4.320 0.019 0.000 0.215 816 A C 2.337 179.929 177.584 0.013 0.000 1.191 816 A CA 2.189 54.225 52.037 -0.003 0.000 0.613 816 A CB -1.150 17.857 19.000 0.011 0.000 0.829 816 A HN 0.575 nan 8.150 nan 0.000 0.442 817 C N -0.953 118.354 119.300 0.012 0.000 2.435 817 C HA 0.180 4.652 4.460 0.019 0.000 0.279 817 C C 3.258 178.263 174.990 0.024 0.000 1.321 817 C CA 0.552 59.591 59.018 0.035 0.000 1.752 817 C CB -1.282 26.485 27.740 0.045 0.000 1.959 817 C HN 0.683 nan 8.230 nan 0.000 0.500 818 A N 0.613 123.419 122.820 -0.023 0.000 1.897 818 A HA 0.191 4.522 4.320 0.019 0.000 0.215 818 A C 2.370 179.912 177.584 -0.070 0.000 1.181 818 A CA 1.705 53.703 52.037 -0.065 0.000 0.620 818 A CB -0.849 18.065 19.000 -0.144 0.000 0.821 818 A HN 0.512 nan 8.150 nan 0.000 0.443 819 A N -0.325 122.457 122.820 -0.063 0.000 1.902 819 A HA 0.100 4.432 4.320 0.019 0.000 0.217 819 A C 2.371 179.938 177.584 -0.028 0.000 1.181 819 A CA 1.927 53.933 52.037 -0.051 0.000 0.623 819 A CB -1.341 17.643 19.000 -0.027 0.000 0.818 819 A HN 0.725 nan 8.150 nan 0.000 0.443 820 G N -0.739 108.079 108.800 0.030 0.000 2.422 820 G HA2 -0.118 3.853 3.960 0.019 0.000 0.218 820 G HA3 -0.118 3.853 3.960 0.019 0.000 0.218 820 G C 1.445 176.356 174.900 0.019 0.000 1.140 820 G CA 0.845 45.999 45.100 0.089 0.000 0.775 820 G HN 0.397 nan 8.290 nan 0.000 0.545 821 L N 0.437 121.665 121.223 0.007 0.000 2.156 821 L HA 0.147 4.499 4.340 0.019 0.000 0.208 821 L C 2.649 179.485 176.870 -0.057 0.000 1.095 821 L CA 1.083 55.926 54.840 0.006 0.000 0.770 821 L CB -0.412 41.667 42.059 0.033 0.000 0.914 821 L HN 0.225 nan 8.230 nan 0.000 0.439 822 I N -0.167 120.345 120.570 -0.097 0.000 2.286 822 I HA -0.211 3.970 4.170 0.019 0.000 0.248 822 I C 2.578 178.574 176.117 -0.202 0.000 1.115 822 I CA 1.189 62.409 61.300 -0.133 0.000 1.392 822 I CB -0.686 37.230 38.000 -0.139 0.000 1.065 822 I HN 0.301 nan 8.210 nan 0.000 0.418 823 G N 0.516 109.125 108.800 -0.320 0.000 2.421 823 G HA2 -0.239 3.732 3.960 0.019 0.000 0.216 823 G HA3 -0.239 3.732 3.960 0.019 0.000 0.216 823 G C 1.286 175.939 174.900 -0.412 0.000 1.171 823 G CA 0.922 45.654 45.100 -0.614 0.000 0.775 823 G HN 0.300 nan 8.290 nan 0.000 0.543 824 D N 0.733 121.003 120.400 -0.217 0.000 2.104 824 D HA -0.105 4.546 4.640 0.019 0.000 0.194 824 D C 2.659 178.920 176.300 -0.065 0.000 0.994 824 D CA 0.696 54.646 54.000 -0.084 0.000 0.830 824 D CB -0.295 40.509 40.800 0.008 0.000 0.959 824 D HN 0.299 nan 8.370 nan 0.000 0.452 825 L N 0.656 121.873 121.223 -0.010 0.000 2.046 825 L HA -0.188 4.164 4.340 0.019 0.000 0.208 825 L C 2.815 179.729 176.870 0.073 0.000 1.077 825 L CA 0.863 55.776 54.840 0.123 0.000 0.747 825 L CB -0.515 41.620 42.059 0.126 0.000 0.896 825 L HN 0.138 nan 8.230 nan 0.000 0.432 826 C N -0.772 118.505 119.300 -0.038 0.000 2.429 826 C HA -0.140 4.331 4.460 0.019 0.000 0.277 826 C C 2.839 177.787 174.990 -0.071 0.000 1.262 826 C CA 1.287 60.272 59.018 -0.055 0.000 1.733 826 C CB -1.087 26.578 27.740 -0.125 0.000 2.010 826 C HN 0.520 nan 8.230 nan 0.000 0.483 827 T N 0.722 115.211 114.554 -0.109 0.000 2.995 827 T HA 0.047 4.409 4.350 0.019 0.000 0.269 827 T C 1.882 176.497 174.700 -0.141 0.000 1.091 827 T CA 1.337 63.382 62.100 -0.091 0.000 1.128 827 T CB -0.152 68.687 68.868 -0.049 0.000 0.891 827 T HN 0.664 nan 8.240 nan 0.000 0.492 828 A N -0.255 122.418 122.820 -0.245 0.000 2.063 828 A HA 0.474 4.806 4.320 0.019 0.000 0.211 828 A C 1.270 178.537 177.584 -0.527 0.000 1.177 828 A CA 0.171 51.880 52.037 -0.547 0.000 0.759 828 A CB 0.081 18.483 19.000 -0.998 0.000 0.857 828 A HN 0.530 nan 8.150 nan 0.000 0.468 829 F N -1.182 118.751 119.950 -0.028 0.000 2.936 829 F HA 0.337 4.875 4.527 0.019 0.000 0.334 829 F C 1.303 177.083 175.800 -0.034 0.000 1.170 829 F CA 0.170 58.155 58.000 -0.026 0.000 1.104 829 F CB 1.078 40.065 39.000 -0.022 0.000 1.216 829 F HN 0.286 nan 8.300 nan 0.000 0.518 830 G N 2.496 111.355 108.800 0.099 0.000 2.350 830 G HA2 -0.363 3.609 3.960 0.019 0.000 0.298 830 G HA3 -0.363 3.609 3.960 0.019 0.000 0.298 830 G C 0.712 175.640 174.900 0.047 0.000 1.037 830 G CA 1.144 46.271 45.100 0.046 0.000 1.074 830 G HN 0.507 nan 8.290 nan 0.000 0.511 831 K N -1.898 118.523 120.400 0.035 0.000 3.573 831 K HA -0.201 4.131 4.320 0.019 0.000 0.280 831 K C 0.991 177.601 176.600 0.017 0.000 1.257 831 K CA 1.891 58.189 56.287 0.017 0.000 0.990 831 K CB -1.516 30.991 32.500 0.011 0.000 1.297 831 K HN 0.467 nan 8.250 nan 0.000 0.488 832 D N 0.701 121.116 120.400 0.025 0.000 2.224 832 D HA -0.040 4.612 4.640 0.019 0.000 0.205 832 D C 1.724 178.023 176.300 -0.002 0.000 0.965 832 D CA 1.412 55.417 54.000 0.009 0.000 0.852 832 D CB 0.172 40.975 40.800 0.005 0.000 0.947 832 D HN 0.180 nan 8.370 nan 0.000 0.494 833 V N 1.526 121.447 119.914 0.011 0.000 2.427 833 V HA -0.209 3.922 4.120 0.019 0.000 0.248 833 V C 2.493 178.576 176.094 -0.018 0.000 1.051 833 V CA 0.821 63.117 62.300 -0.006 0.000 1.048 833 V CB -0.421 31.414 31.823 0.020 0.000 0.666 833 V HN 0.112 nan 8.190 nan 0.000 0.456 834 L N 0.328 121.548 121.223 -0.006 0.000 2.012 834 L HA -0.203 4.149 4.340 0.019 0.000 0.210 834 L C 2.425 179.296 176.870 0.002 0.000 1.073 834 L CA 2.028 56.868 54.840 -0.001 0.000 0.748 834 L CB -0.640 41.424 42.059 0.008 0.000 0.891 834 L HN 0.208 nan 8.230 nan 0.000 0.431 835 K N -0.958 119.441 120.400 -0.001 0.000 2.147 835 K HA -0.119 4.212 4.320 0.019 0.000 0.205 835 K C 2.007 178.601 176.600 -0.010 0.000 1.049 835 K CA 1.439 57.726 56.287 0.000 0.000 0.936 835 K CB -0.200 32.299 32.500 -0.002 0.000 0.722 835 K HN 0.370 nan 8.250 nan 0.000 0.446 836 L N 0.085 121.293 121.223 -0.024 0.000 2.179 836 L HA -0.094 4.258 4.340 0.019 0.000 0.208 836 L C 2.144 178.979 176.870 -0.059 0.000 1.096 836 L CA 0.421 55.237 54.840 -0.039 0.000 0.779 836 L CB -0.115 41.915 42.059 -0.049 0.000 0.922 836 L HN -0.058 nan 8.230 nan 0.000 0.443 837 V N -0.411 119.461 119.914 -0.071 0.000 2.488 837 V HA -0.167 3.965 4.120 0.019 0.000 0.246 837 V C 2.123 178.118 176.094 -0.165 0.000 1.046 837 V CA 1.367 63.586 62.300 -0.135 0.000 1.053 837 V CB -0.281 31.457 31.823 -0.140 0.000 0.679 837 V HN 0.406 nan 8.190 nan 0.000 0.458 838 E N 0.216 120.400 120.200 -0.027 0.000 2.418 838 E HA -0.031 4.331 4.350 0.019 0.000 0.197 838 E C 2.069 178.708 176.600 0.065 0.000 1.026 838 E CA 0.807 57.279 56.400 0.121 0.000 0.862 838 E CB -0.068 29.718 29.700 0.143 0.000 0.799 838 E HN 0.595 nan 8.360 nan 0.000 0.518 839 A N 0.957 123.778 122.820 0.002 0.000 2.123 839 A HA 0.036 4.367 4.320 0.019 0.000 0.214 839 A C 0.830 178.408 177.584 -0.010 0.000 1.152 839 A CA 0.306 52.344 52.037 0.002 0.000 0.728 839 A CB 0.205 19.201 19.000 -0.008 0.000 0.814 839 A HN -0.064 nan 8.150 nan 0.000 0.464 840 R N 0.181 120.651 120.500 -0.050 0.000 2.335 840 R HA 0.293 4.645 4.340 0.019 0.000 0.302 840 R C -2.149 174.100 176.300 -0.085 0.000 1.147 840 R CA -2.071 53.992 56.100 -0.062 0.000 1.111 840 R CB 1.025 31.273 30.300 -0.088 0.000 1.122 840 R HN 0.144 nan 8.270 nan 0.000 0.557 841 P HA -0.205 nan 4.420 nan 0.000 0.219 841 P C 0.763 178.096 177.300 0.055 0.000 1.146 841 P CA 1.167 64.336 63.100 0.114 0.000 0.808 841 P CB 0.285 32.046 31.700 0.102 0.000 0.779 842 M N -1.109 118.490 119.600 -0.002 0.000 2.374 842 M HA -0.057 4.434 4.480 0.019 0.000 0.264 842 M C 2.013 178.289 176.300 -0.041 0.000 1.067 842 M CA 0.889 56.186 55.300 -0.004 0.000 1.103 842 M CB -1.103 31.493 32.600 -0.007 0.000 1.402 842 M HN -0.035 nan 8.290 nan 0.000 0.444 843 I N -0.861 119.634 120.570 -0.126 0.000 2.439 843 I HA -0.240 3.942 4.170 0.019 0.000 0.251 843 I C 2.391 178.415 176.117 -0.155 0.000 1.139 843 I CA 1.184 62.376 61.300 -0.180 0.000 1.438 843 I CB -1.425 36.413 38.000 -0.269 0.000 1.085 843 I HN 0.310 nan 8.210 nan 0.000 0.427 844 H N 1.098 120.150 119.070 -0.030 0.000 2.357 844 H HA -0.077 4.490 4.556 0.019 0.000 0.301 844 H C 1.991 177.307 175.328 -0.020 0.000 1.082 844 H CA 1.176 57.209 56.048 -0.026 0.000 1.342 844 H CB -0.007 29.744 29.762 -0.018 0.000 1.389 844 H HN 0.454 nan 8.280 nan 0.000 0.511 845 E N 0.228 120.492 120.200 0.107 0.000 2.150 845 E HA -0.111 4.251 4.350 0.019 0.000 0.193 845 E C 2.156 178.778 176.600 0.035 0.000 0.985 845 E CA 0.320 56.759 56.400 0.065 0.000 0.814 845 E CB 0.002 29.738 29.700 0.060 0.000 0.752 845 E HN 0.139 nan 8.360 nan 0.000 0.466 846 L N 0.679 121.902 121.223 0.000 0.000 2.156 846 L HA -0.093 4.259 4.340 0.019 0.000 0.208 846 L C 1.902 178.728 176.870 -0.074 0.000 1.095 846 L CA 1.343 56.143 54.840 -0.068 0.000 0.770 846 L CB -0.077 41.903 42.059 -0.133 0.000 0.914 846 L HN 0.070 nan 8.230 nan 0.000 0.439 847 L N -1.259 119.942 121.223 -0.037 0.000 2.156 847 L HA -0.108 4.243 4.340 0.019 0.000 0.208 847 L C 2.197 179.067 176.870 0.000 0.000 1.095 847 L CA 1.320 56.147 54.840 -0.022 0.000 0.770 847 L CB -0.887 41.170 42.059 -0.002 0.000 0.914 847 L HN 0.237 nan 8.230 nan 0.000 0.439 848 T N -1.190 113.373 114.554 0.015 0.000 2.857 848 T HA -0.192 4.169 4.350 0.019 0.000 0.266 848 T C 1.745 176.452 174.700 0.012 0.000 1.048 848 T CA 1.074 63.185 62.100 0.019 0.000 1.139 848 T CB -0.037 68.846 68.868 0.026 0.000 0.874 848 T HN 0.348 nan 8.240 nan 0.000 0.455 849 E N 0.717 120.921 120.200 0.007 0.000 2.150 849 E HA -0.074 4.288 4.350 0.019 0.000 0.193 849 E C 2.356 178.952 176.600 -0.007 0.000 0.985 849 E CA 0.951 57.356 56.400 0.008 0.000 0.814 849 E CB -0.298 29.414 29.700 0.020 0.000 0.752 849 E HN 0.528 nan 8.360 nan 0.000 0.466 850 G N 0.422 109.208 108.800 -0.023 0.000 2.430 850 G HA2 -0.177 3.794 3.960 0.019 0.000 0.216 850 G HA3 -0.177 3.794 3.960 0.019 0.000 0.216 850 G C 1.571 176.472 174.900 0.002 0.000 1.146 850 G CA 0.007 45.094 45.100 -0.021 0.000 0.793 850 G HN 0.121 nan 8.290 nan 0.000 0.537 851 R N 0.070 120.575 120.500 0.010 0.000 2.285 851 R HA 0.060 4.411 4.340 0.019 0.000 0.213 851 R C 0.398 176.708 176.300 0.016 0.000 1.068 851 R CA 0.277 56.388 56.100 0.019 0.000 1.004 851 R CB 0.021 30.334 30.300 0.022 0.000 0.873 851 R HN 0.216 nan 8.270 nan 0.000 0.467 852 R N 0.625 121.132 120.500 0.012 0.000 2.229 852 R HA 0.109 4.460 4.340 0.019 0.000 0.332 852 R C -0.356 175.950 176.300 0.010 0.000 0.989 852 R CA -0.153 55.954 56.100 0.012 0.000 0.842 852 R CB 1.776 32.083 30.300 0.012 0.000 1.119 852 R HN -0.121 nan 8.270 nan 0.000 0.456 853 S N 3.867 119.574 115.700 0.011 0.000 2.681 853 S HA 0.116 4.597 4.470 0.019 0.000 0.313 853 S C 0.245 174.850 174.600 0.009 0.000 1.137 853 S CA -0.496 57.710 58.200 0.010 0.000 1.045 853 S CB 0.042 63.249 63.200 0.011 0.000 1.208 853 S HN 0.454 nan 8.310 nan 0.000 0.523 854 K N 2.050 122.454 120.400 0.007 0.000 2.332 854 K HA 0.228 4.560 4.320 0.019 0.000 0.246 854 K C 0.462 177.066 176.600 0.006 0.000 1.066 854 K CA -0.210 56.081 56.287 0.006 0.000 0.898 854 K CB 0.137 32.641 32.500 0.005 0.000 1.192 854 K HN 0.675 nan 8.250 nan 0.000 0.509 855 T N 1.363 115.920 114.554 0.006 0.000 2.923 855 T HA -0.084 4.277 4.350 0.019 0.000 0.320 855 T C 0.136 174.841 174.700 0.008 0.000 1.074 855 T CA -0.115 61.990 62.100 0.008 0.000 1.131 855 T CB -0.175 68.698 68.868 0.008 0.000 1.058 855 T HN 0.463 nan 8.240 nan 0.000 0.535 856 N N 2.786 121.491 118.700 0.009 0.000 2.508 856 N HA 0.056 4.808 4.740 0.019 0.000 0.264 856 N C 0.483 175.998 175.510 0.009 0.000 1.216 856 N CA -0.556 52.499 53.050 0.009 0.000 0.943 856 N CB 0.516 39.008 38.487 0.008 0.000 1.113 856 N HN 0.646 nan 8.380 nan 0.000 0.447 857 K N -1.628 118.778 120.400 0.011 0.000 3.274 857 K HA -0.255 4.077 4.320 0.019 0.000 0.300 857 K C 0.682 177.296 176.600 0.024 0.000 1.230 857 K CA 1.050 57.346 56.287 0.015 0.000 0.884 857 K CB -2.229 30.274 32.500 0.004 0.000 1.242 857 K HN 0.713 nan 8.250 nan 0.000 0.467 858 A N 1.671 124.502 122.820 0.019 0.000 2.016 858 A HA -0.120 4.212 4.320 0.019 0.000 0.217 858 A C 2.221 179.819 177.584 0.024 0.000 1.162 858 A CA 1.432 53.480 52.037 0.017 0.000 0.662 858 A CB -0.237 18.765 19.000 0.004 0.000 0.812 858 A HN 0.586 nan 8.150 nan 0.000 0.450 859 K N 0.023 120.437 120.400 0.024 0.000 2.103 859 K HA -0.118 4.214 4.320 0.019 0.000 0.204 859 K C 1.831 178.462 176.600 0.052 0.000 1.052 859 K CA 1.935 58.241 56.287 0.031 0.000 0.945 859 K CB -0.967 31.547 32.500 0.023 0.000 0.722 859 K HN 0.414 nan 8.250 nan 0.000 0.443 860 T N -0.041 114.543 114.554 0.049 0.000 2.904 860 T HA 0.011 4.373 4.350 0.019 0.000 0.267 860 T C 2.096 176.877 174.700 0.136 0.000 1.059 860 T CA 0.612 62.746 62.100 0.058 0.000 1.137 860 T CB -0.307 68.566 68.868 0.008 0.000 0.879 860 T HN 0.165 nan 8.240 nan 0.000 0.467 861 L N 0.467 121.779 121.223 0.148 0.000 2.240 861 L HA 0.287 4.639 4.340 0.019 0.000 0.211 861 L C 3.125 180.119 176.870 0.206 0.000 1.106 861 L CA 0.862 55.857 54.840 0.259 0.000 0.793 861 L CB -0.446 41.721 42.059 0.180 0.000 0.927 861 L HN 0.387 nan 8.230 nan 0.000 0.446 862 A N -1.386 121.502 122.820 0.114 0.000 2.081 862 A HA -0.102 4.230 4.320 0.019 0.000 0.214 862 A C 2.298 179.929 177.584 0.079 0.000 1.158 862 A CA 1.464 53.539 52.037 0.062 0.000 0.724 862 A CB -0.394 18.621 19.000 0.024 0.000 0.826 862 A HN 0.254 nan 8.150 nan 0.000 0.463 863 T N -2.484 112.141 114.554 0.118 0.000 3.067 863 T HA -0.077 4.284 4.350 0.019 0.000 0.261 863 T C 1.227 176.043 174.700 0.193 0.000 1.110 863 T CA 1.270 63.441 62.100 0.118 0.000 1.113 863 T CB -0.292 68.634 68.868 0.097 0.000 0.917 863 T HN 0.694 nan 8.240 nan 0.000 0.499 864 W N 0.951 122.251 121.300 -0.001 0.000 3.077 864 W HA 0.540 5.211 4.660 0.019 0.000 0.266 864 W C 1.841 178.361 176.519 0.002 0.000 1.300 864 W CA -0.038 57.308 57.345 0.001 0.000 1.586 864 W CB -0.224 29.236 29.460 0.000 0.000 1.103 864 W HN 0.195 nan 8.180 nan 0.000 0.652 865 A N -0.619 122.122 122.820 -0.130 0.000 2.021 865 A HA 0.006 4.337 4.320 0.019 0.000 0.216 865 A C 1.840 179.327 177.584 -0.162 0.000 1.163 865 A CA 1.790 53.656 52.037 -0.286 0.000 0.676 865 A CB -0.792 18.092 19.000 -0.193 0.000 0.818 865 A HN 0.163 nan 8.150 nan 0.000 0.453 866 T N -0.453 114.065 114.554 -0.059 0.000 3.014 866 T HA -0.022 4.340 4.350 0.019 0.000 0.263 866 T C 1.871 176.561 174.700 -0.016 0.000 1.078 866 T CA 1.381 63.471 62.100 -0.018 0.000 1.135 866 T CB -0.012 68.868 68.868 0.019 0.000 0.895 866 T HN 0.569 nan 8.240 nan 0.000 0.480 867 K N 1.239 121.636 120.400 -0.006 0.000 2.057 867 K HA -0.087 4.245 4.320 0.019 0.000 0.207 867 K C 2.207 178.801 176.600 -0.010 0.000 1.049 867 K CA 1.108 57.415 56.287 0.033 0.000 0.931 867 K CB 0.097 32.680 32.500 0.139 0.000 0.714 867 K HN 0.086 nan 8.250 nan 0.000 0.440 868 E N 0.510 120.643 120.200 -0.111 0.000 2.152 868 E HA -0.089 4.273 4.350 0.019 0.000 0.192 868 E C 1.327 177.879 176.600 -0.081 0.000 0.983 868 E CA 0.663 56.988 56.400 -0.125 0.000 0.818 868 E CB 0.087 29.617 29.700 -0.284 0.000 0.758 868 E HN 0.368 nan 8.360 nan 0.000 0.467 869 L N 1.196 122.372 121.223 -0.078 0.000 2.747 869 L HA 0.011 4.362 4.340 0.019 0.000 0.248 869 L C 1.780 178.644 176.870 -0.010 0.000 1.191 869 L CA 0.044 54.861 54.840 -0.038 0.000 1.003 869 L CB -0.065 41.978 42.059 -0.026 0.000 1.235 869 L HN -0.066 nan 8.230 nan 0.000 0.426 870 R N 0.486 120.981 120.500 -0.010 0.000 2.171 870 R HA 0.067 4.419 4.340 0.019 0.000 0.171 870 R C 1.185 177.487 176.300 0.003 0.000 1.662 870 R CA 0.199 56.300 56.100 0.002 0.000 1.323 870 R CB -0.055 30.251 30.300 0.009 0.000 1.180 870 R HN -0.157 nan 8.270 nan 0.000 0.474 871 K N 1.602 122.006 120.400 0.007 0.000 3.358 871 K HA 0.137 4.468 4.320 0.019 0.000 0.297 871 K C 0.354 176.956 176.600 0.002 0.000 1.064 871 K CA 0.372 56.663 56.287 0.007 0.000 1.144 871 K CB -0.919 31.590 32.500 0.015 0.000 1.289 871 K HN 0.336 nan 8.250 nan 0.000 0.372 872 L N -0.249 120.973 121.223 -0.002 0.000 2.375 872 L HA 0.053 4.405 4.340 0.019 0.000 0.215 872 L C 1.525 178.396 176.870 0.002 0.000 1.108 872 L CA 0.608 55.447 54.840 -0.001 0.000 0.830 872 L CB -0.031 42.026 42.059 -0.003 0.000 0.959 872 L HN 0.188 nan 8.230 nan 0.000 0.457 873 K N 0.350 120.752 120.400 0.003 0.000 2.487 873 K HA 0.075 4.406 4.320 0.019 0.000 0.192 873 K C 0.309 176.911 176.600 0.003 0.000 1.027 873 K CA 0.323 56.612 56.287 0.003 0.000 1.054 873 K CB 0.161 32.663 32.500 0.003 0.000 0.824 873 K HN 0.315 nan 8.250 nan 0.000 0.510 874 N N 0.269 118.972 118.700 0.004 0.000 2.377 874 N HA -0.011 4.740 4.740 0.019 0.000 0.259 874 N C 0.458 175.971 175.510 0.004 0.000 1.332 874 N CA 0.061 53.114 53.050 0.004 0.000 0.877 874 N CB 1.114 39.605 38.487 0.005 0.000 1.299 874 N HN 0.230 nan 8.380 nan 0.000 0.501 875 Q N 0.603 120.405 119.800 0.003 0.000 2.385 875 Q HA 0.331 4.682 4.340 0.019 0.000 0.195 875 Q C 0.624 176.626 176.000 0.002 0.000 0.977 875 Q CA 0.187 55.991 55.803 0.002 0.000 0.856 875 Q CB 0.351 29.089 28.738 0.001 0.000 0.986 875 Q HN 0.207 nan 8.270 nan 0.000 0.558 876 A N 0.000 122.821 122.820 0.002 0.000 2.254 876 A HA 0.000 4.332 4.320 0.019 0.000 0.244 876 A CA 0.000 52.038 52.037 0.003 0.000 0.836 876 A CB 0.000 19.002 19.000 0.003 0.000 0.831 876 A HN 0.000 nan 8.150 nan 0.000 0.486