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 2bh2_1_B DATA FIRST_RESID 16 DATA SEQUENCE IITVSVNDLD SFGQGVARHN GKTLFIPGLL PQENAEVTVT EDKKQYARAK DATA SEQUENCE VVRRLSDSPE RETPRCPHFG VCGGCQQQHA SVDLQQRSKS AALARLMKHD DATA SEQUENCE VSEVIADVPW GYRRRARLSL NYLPKTQQLQ MGFRKAGSSD IVDVKQCPIL DATA SEQUENCE APQLEALLPK VRACLGSLQA MRHLGHVELV QATSGTLMIL RHTAPLSSAD DATA SEQUENCE REKLERFSHS EGLDLYLAPD SEILETVSGE MPWYDSNGLR LTFSPRDFIQ DATA SEQUENCE VNAGVNQKMV ARALEWLDVQ PEDRVLDLFC GMGNFTLPLA TQAASVVGVE DATA SEQUENCE GVPALVEKGQ QNARLNGLQN VTFYHENLEE DVTKQPWAKN GFDKVLLDPA DATA SEQUENCE RAGAAGVMQQ IIKLEPIRIV YVSCNPATLA RDSEALLKAG YTIARLAMLD DATA SEQUENCE MFPHTGHLES MVLFSR 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 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.070 176.117 -0.078 0.000 1.063 16 I CA 0.000 61.269 61.300 -0.052 0.000 1.566 16 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 17 I N 1.629 122.136 120.570 -0.105 0.000 3.102 17 I HA 0.812 4.984 4.170 0.003 0.000 0.310 17 I C -0.867 175.189 176.117 -0.101 0.000 1.246 17 I CA 0.095 61.299 61.300 -0.160 0.000 0.979 17 I CB 2.818 40.586 38.000 -0.386 0.000 1.267 17 I HN 0.887 nan 8.210 nan 0.000 0.451 18 T N 2.646 117.156 114.554 -0.073 0.000 2.786 18 T HA 0.773 5.125 4.350 0.003 0.000 0.283 18 T C -0.564 174.140 174.700 0.007 0.000 0.992 18 T CA -0.685 61.404 62.100 -0.017 0.000 0.954 18 T CB 0.975 69.846 68.868 0.006 0.000 0.934 18 T HN 0.629 nan 8.240 nan 0.000 0.440 19 V N -0.384 119.536 119.914 0.009 0.000 3.001 19 V HA 0.954 5.076 4.120 0.003 0.000 0.314 19 V C -0.600 175.509 176.094 0.026 0.000 1.099 19 V CA -1.004 61.310 62.300 0.023 0.000 0.989 19 V CB 2.149 33.982 31.823 0.016 0.000 1.040 19 V HN 0.919 nan 8.190 nan 0.000 0.434 20 S N 1.344 117.060 115.700 0.028 0.000 2.605 20 S HA 0.641 5.113 4.470 0.003 0.000 0.308 20 S C -0.551 174.064 174.600 0.025 0.000 1.113 20 S CA -0.540 57.676 58.200 0.026 0.000 1.049 20 S CB 1.529 64.742 63.200 0.023 0.000 1.001 20 S HN 0.795 nan 8.310 nan 0.000 0.480 21 V N 4.097 124.029 119.914 0.030 0.000 2.461 21 V HA 0.173 4.295 4.120 0.003 0.000 0.275 21 V C 0.776 176.886 176.094 0.027 0.000 1.047 21 V CA -0.132 62.187 62.300 0.033 0.000 0.955 21 V CB 0.864 32.717 31.823 0.050 0.000 0.988 21 V HN 0.901 nan 8.190 nan 0.000 0.471 22 N N 2.511 121.223 118.700 0.020 0.000 2.305 22 N HA 0.021 4.763 4.740 0.003 0.000 0.179 22 N C 0.284 175.806 175.510 0.020 0.000 1.019 22 N CA 0.771 53.830 53.050 0.015 0.000 0.869 22 N CB 0.291 38.781 38.487 0.005 0.000 1.000 22 N HN 0.916 nan 8.380 nan 0.000 0.431 23 D N -0.840 119.577 120.400 0.029 0.000 2.946 23 D HA 0.153 4.795 4.640 0.003 0.000 0.337 23 D C -1.617 174.720 176.300 0.061 0.000 1.332 23 D CA -0.602 53.420 54.000 0.037 0.000 0.935 23 D CB 1.038 41.855 40.800 0.028 0.000 1.440 23 D HN -0.163 nan 8.370 nan 0.000 0.540 24 L N 1.786 123.045 121.223 0.059 0.000 2.376 24 L HA 0.360 4.702 4.340 0.003 0.000 0.275 24 L C -0.875 176.042 176.870 0.079 0.000 0.987 24 L CA -0.350 54.536 54.840 0.077 0.000 0.828 24 L CB 1.203 43.285 42.059 0.039 0.000 1.249 24 L HN 0.490 nan 8.230 nan 0.000 0.409 25 D N 1.646 122.126 120.400 0.132 0.000 2.414 25 D HA 0.137 4.778 4.640 0.003 0.000 0.251 25 D C 0.915 177.223 176.300 0.013 0.000 1.252 25 D CA 0.220 54.288 54.000 0.113 0.000 0.999 25 D CB 0.508 41.451 40.800 0.239 0.000 1.093 25 D HN 0.483 nan 8.370 nan 0.000 0.515 26 S N -1.367 114.258 115.700 -0.125 0.000 2.489 26 S HA -0.059 4.413 4.470 0.003 0.000 0.228 26 S C 1.570 175.969 174.600 -0.336 0.000 0.995 26 S CA 0.014 58.061 58.200 -0.256 0.000 0.934 26 S CB -0.693 62.286 63.200 -0.368 0.000 0.771 26 S HN 0.440 nan 8.310 nan 0.000 0.522 27 F N 2.262 122.165 119.950 -0.079 0.000 2.325 27 F HA 0.299 4.828 4.527 0.003 0.000 0.299 27 F C 2.188 177.982 175.800 -0.011 0.000 1.090 27 F CA 0.504 58.448 58.000 -0.093 0.000 1.392 27 F CB -0.673 38.246 39.000 -0.135 0.000 1.053 27 F HN 0.435 nan 8.300 nan 0.000 0.521 28 G N -0.069 108.838 108.800 0.178 0.000 2.154 28 G HA2 -0.179 3.783 3.960 0.003 0.000 0.186 28 G HA3 -0.179 3.783 3.960 0.003 0.000 0.186 28 G C -0.073 174.973 174.900 0.243 0.000 1.000 28 G CA -0.453 44.764 45.100 0.196 0.000 0.664 28 G HN 0.375 nan 8.290 nan 0.000 0.513 29 Q N 0.121 120.054 119.800 0.223 0.000 2.235 29 Q HA 0.594 4.936 4.340 0.003 0.000 0.256 29 Q C 0.790 176.930 176.000 0.234 0.000 0.951 29 Q CA -0.424 55.519 55.803 0.232 0.000 0.890 29 Q CB 1.653 30.525 28.738 0.223 0.000 1.279 29 Q HN 0.419 nan 8.270 nan 0.000 0.444 30 G N 0.545 109.472 108.800 0.212 0.000 2.491 30 G HA2 0.357 4.318 3.960 0.003 0.000 0.242 30 G HA3 0.357 4.318 3.960 0.003 0.000 0.242 30 G C -0.586 174.411 174.900 0.161 0.000 1.266 30 G CA -0.322 44.877 45.100 0.164 0.000 0.844 30 G HN 0.342 nan 8.290 nan 0.000 0.571 31 V N 1.076 121.050 119.914 0.099 0.000 2.487 31 V HA 0.788 4.910 4.120 0.003 0.000 0.298 31 V C 0.428 176.506 176.094 -0.028 0.000 1.028 31 V CA -0.247 62.057 62.300 0.006 0.000 0.860 31 V CB 0.843 32.670 31.823 0.007 0.000 0.991 31 V HN 1.221 nan 8.190 nan 0.000 0.427 32 A N 5.301 128.076 122.820 -0.074 0.000 2.504 32 A HA 1.010 5.332 4.320 0.003 0.000 0.285 32 A C -1.038 176.514 177.584 -0.054 0.000 1.261 32 A CA -0.931 51.083 52.037 -0.038 0.000 0.741 32 A CB 1.952 20.951 19.000 -0.003 0.000 1.327 32 A HN 0.600 nan 8.150 nan 0.000 0.441 33 R N 0.134 120.628 120.500 -0.010 0.000 2.740 33 R HA 0.576 4.917 4.340 0.003 0.000 0.282 33 R C -1.669 174.681 176.300 0.083 0.000 0.969 33 R CA -0.536 55.568 56.100 0.007 0.000 0.918 33 R CB 1.538 31.832 30.300 -0.010 0.000 1.175 33 R HN 0.891 nan 8.270 nan 0.000 0.464 34 H N 1.736 120.788 119.070 -0.029 0.000 2.667 34 H HA 0.266 4.824 4.556 0.003 0.000 0.353 34 H C -0.299 175.020 175.328 -0.016 0.000 1.072 34 H CA -0.329 55.709 56.048 -0.018 0.000 1.214 34 H CB 0.807 30.560 29.762 -0.014 0.000 1.600 34 H HN 0.520 nan 8.280 nan 0.000 0.527 35 N N 3.784 122.168 118.700 -0.528 0.000 2.701 35 N HA -0.236 4.506 4.740 0.003 0.000 0.252 35 N C 1.051 176.476 175.510 -0.142 0.000 1.002 35 N CA 1.702 54.559 53.050 -0.321 0.000 0.758 35 N CB -1.024 37.259 38.487 -0.340 0.000 0.937 35 N HN 1.126 nan 8.380 nan 0.000 0.538 36 G N -1.083 107.661 108.800 -0.093 0.000 2.234 36 G HA2 -0.377 3.585 3.960 0.003 0.000 0.260 36 G HA3 -0.377 3.585 3.960 0.003 0.000 0.260 36 G C 0.105 174.987 174.900 -0.031 0.000 0.987 36 G CA 0.884 45.954 45.100 -0.050 0.000 0.625 36 G HN 0.622 nan 8.290 nan 0.000 0.532 37 K N 1.440 121.825 120.400 -0.024 0.000 2.172 37 K HA 0.519 4.841 4.320 0.003 0.000 0.276 37 K C 0.106 176.695 176.600 -0.017 0.000 1.013 37 K CA -0.123 56.163 56.287 -0.003 0.000 0.913 37 K CB 0.476 32.986 32.500 0.017 0.000 1.055 37 K HN 0.065 nan 8.250 nan 0.000 0.461 38 T N 4.616 119.144 114.554 -0.043 0.000 2.834 38 T HA 0.166 4.518 4.350 0.003 0.000 0.298 38 T C -0.167 174.411 174.700 -0.203 0.000 0.966 38 T CA -0.210 61.788 62.100 -0.169 0.000 1.141 38 T CB 0.222 68.948 68.868 -0.237 0.000 0.905 38 T HN 0.318 nan 8.240 nan 0.000 0.535 39 L N 4.162 125.233 121.223 -0.253 0.000 2.325 39 L HA 0.484 4.826 4.340 0.003 0.000 0.281 39 L C -0.892 175.815 176.870 -0.272 0.000 1.004 39 L CA -0.666 54.076 54.840 -0.164 0.000 0.823 39 L CB 1.198 43.228 42.059 -0.048 0.000 1.236 39 L HN 0.614 nan 8.230 nan 0.000 0.415 40 F N 4.429 124.434 119.950 0.092 0.000 2.404 40 F HA 0.445 4.974 4.527 0.003 0.000 0.354 40 F C 0.305 176.141 175.800 0.061 0.000 1.122 40 F CA -0.400 57.643 58.000 0.072 0.000 1.080 40 F CB 1.120 40.160 39.000 0.066 0.000 1.131 40 F HN 0.214 nan 8.300 nan 0.000 0.471 41 I N 5.773 126.475 120.570 0.221 0.000 2.437 41 I HA 0.315 4.487 4.170 0.003 0.000 0.279 41 I C -2.451 173.752 176.117 0.143 0.000 1.028 41 I CA -2.171 59.215 61.300 0.143 0.000 1.142 41 I CB 1.249 39.307 38.000 0.096 0.000 1.266 41 I HN 0.301 nan 8.210 nan 0.000 0.461 42 P HA 0.098 nan 4.420 nan 0.000 0.265 42 P C 1.027 178.366 177.300 0.065 0.000 1.187 42 P CA 0.712 63.865 63.100 0.089 0.000 0.766 42 P CB 0.671 32.387 31.700 0.026 0.000 0.820 43 G N 1.465 110.305 108.800 0.066 0.000 2.195 43 G HA2 -0.214 3.748 3.960 0.003 0.000 0.246 43 G HA3 -0.214 3.748 3.960 0.003 0.000 0.246 43 G C -0.217 174.782 174.900 0.165 0.000 0.984 43 G CA -0.372 44.704 45.100 -0.039 0.000 0.633 43 G HN 0.506 nan 8.290 nan 0.000 0.525 44 L N 0.808 122.167 121.223 0.226 0.000 2.346 44 L HA 0.742 5.083 4.340 0.003 0.000 0.274 44 L C 0.332 177.320 176.870 0.197 0.000 1.007 44 L CA -1.020 53.934 54.840 0.190 0.000 0.818 44 L CB 1.680 43.811 42.059 0.121 0.000 1.284 44 L HN 0.089 nan 8.230 nan 0.000 0.424 45 L N 3.459 124.769 121.223 0.145 0.000 2.332 45 L HA 0.555 4.896 4.340 0.003 0.000 0.269 45 L C -2.250 174.657 176.870 0.062 0.000 1.016 45 L CA -2.145 52.746 54.840 0.087 0.000 0.809 45 L CB 1.635 43.726 42.059 0.053 0.000 1.280 45 L HN 0.333 nan 8.230 nan 0.000 0.447 46 P HA 0.000 nan 4.420 nan 0.000 0.265 46 P C -0.690 176.628 177.300 0.029 0.000 1.187 46 P CA 0.221 63.341 63.100 0.033 0.000 0.766 46 P CB 0.313 32.026 31.700 0.021 0.000 0.820 47 Q N -1.515 118.301 119.800 0.027 0.000 2.480 47 Q HA -0.251 4.091 4.340 0.003 0.000 0.265 47 Q C -0.499 175.518 176.000 0.029 0.000 1.072 47 Q CA 1.384 57.202 55.803 0.024 0.000 1.018 47 Q CB -1.970 26.779 28.738 0.019 0.000 1.433 47 Q HN 0.597 nan 8.270 nan 0.000 0.513 48 E N -0.013 120.209 120.200 0.038 0.000 2.214 48 E HA 0.489 4.841 4.350 0.003 0.000 0.274 48 E C -0.441 176.181 176.600 0.038 0.000 0.977 48 E CA -0.760 55.665 56.400 0.042 0.000 0.827 48 E CB 0.949 30.683 29.700 0.057 0.000 1.130 48 E HN 0.238 nan 8.360 nan 0.000 0.394 49 N N 0.410 119.130 118.700 0.033 0.000 2.443 49 N HA 0.744 5.486 4.740 0.003 0.000 0.293 49 N C -1.286 174.241 175.510 0.029 0.000 1.159 49 N CA -0.621 52.446 53.050 0.029 0.000 0.904 49 N CB 1.934 40.435 38.487 0.024 0.000 1.214 49 N HN 0.504 nan 8.380 nan 0.000 0.513 50 A N 0.190 123.023 122.820 0.023 0.000 2.597 50 A HA 0.415 4.736 4.320 0.003 0.000 0.292 50 A C -1.650 175.939 177.584 0.008 0.000 1.057 50 A CA -0.744 51.305 52.037 0.020 0.000 0.674 50 A CB 0.990 20.006 19.000 0.027 0.000 1.278 50 A HN 0.643 nan 8.150 nan 0.000 0.416 51 E N 0.683 120.885 120.200 0.004 0.000 2.081 51 E HA 0.464 4.816 4.350 0.003 0.000 0.281 51 E C -0.069 176.525 176.600 -0.010 0.000 0.986 51 E CA -0.476 55.920 56.400 -0.007 0.000 0.796 51 E CB 1.490 31.187 29.700 -0.005 0.000 1.085 51 E HN 0.768 nan 8.360 nan 0.000 0.398 52 V N 0.505 120.405 119.914 -0.024 0.000 3.204 52 V HA 0.794 4.915 4.120 0.003 0.000 0.316 52 V C -0.182 175.888 176.094 -0.041 0.000 1.160 52 V CA -0.500 61.786 62.300 -0.023 0.000 1.044 52 V CB 2.145 33.958 31.823 -0.016 0.000 1.136 52 V HN 0.512 nan 8.190 nan 0.000 0.455 53 T N 0.233 114.767 114.554 -0.033 0.000 3.105 53 T HA 0.491 4.842 4.350 0.003 0.000 0.321 53 T C -1.014 173.670 174.700 -0.026 0.000 1.135 53 T CA -0.247 61.830 62.100 -0.039 0.000 1.053 53 T CB 1.403 70.254 68.868 -0.028 0.000 1.133 53 T HN 0.874 nan 8.240 nan 0.000 0.463 54 V N 4.554 124.450 119.914 -0.031 0.000 2.763 54 V HA 0.282 4.404 4.120 0.003 0.000 0.306 54 V C 1.827 177.917 176.094 -0.006 0.000 1.059 54 V CA 1.192 63.484 62.300 -0.013 0.000 1.138 54 V CB 1.341 33.155 31.823 -0.014 0.000 0.940 54 V HN 1.120 nan 8.190 nan 0.000 0.489 55 T N 0.680 115.236 114.554 0.004 0.000 2.958 55 T HA 0.229 4.580 4.350 0.003 0.000 0.256 55 T C 0.240 174.939 174.700 -0.001 0.000 0.983 55 T CA 0.341 62.442 62.100 0.001 0.000 0.924 55 T CB 0.156 69.027 68.868 0.005 0.000 1.136 55 T HN 0.756 nan 8.240 nan 0.000 0.506 56 E N 0.374 120.576 120.200 0.003 0.000 2.311 56 E HA 0.401 4.753 4.350 0.003 0.000 0.281 56 E C -2.223 174.357 176.600 -0.034 0.000 0.905 56 E CA -0.690 55.701 56.400 -0.016 0.000 0.778 56 E CB 1.623 31.315 29.700 -0.014 0.000 1.240 56 E HN -0.042 nan 8.360 nan 0.000 0.410 57 D N 3.925 124.291 120.400 -0.057 0.000 2.441 57 D HA 0.260 4.901 4.640 0.003 0.000 0.231 57 D C -0.588 175.626 176.300 -0.144 0.000 1.073 57 D CA -0.388 53.562 54.000 -0.083 0.000 0.850 57 D CB 0.870 41.643 40.800 -0.046 0.000 1.062 57 D HN 0.290 nan 8.370 nan 0.000 0.524 58 K N 1.617 121.849 120.400 -0.280 0.000 2.488 58 K HA 0.186 4.508 4.320 0.003 0.000 0.255 58 K C 1.410 177.865 176.600 -0.243 0.000 1.036 58 K CA -0.458 55.616 56.287 -0.354 0.000 0.990 58 K CB 0.902 32.943 32.500 -0.765 0.000 1.304 58 K HN 0.284 nan 8.250 nan 0.000 0.505 59 K N 0.139 120.430 120.400 -0.182 0.000 2.098 59 K HA -0.053 4.269 4.320 0.003 0.000 0.203 59 K C 1.246 177.834 176.600 -0.020 0.000 1.051 59 K CA 1.316 57.561 56.287 -0.070 0.000 0.957 59 K CB 0.212 32.695 32.500 -0.028 0.000 0.738 59 K HN 0.335 nan 8.250 nan 0.000 0.447 60 Q N -0.477 119.344 119.800 0.035 0.000 2.194 60 Q HA 0.166 4.508 4.340 0.003 0.000 0.214 60 Q C -0.947 175.213 176.000 0.267 0.000 0.838 60 Q CA -0.348 55.539 55.803 0.139 0.000 0.972 60 Q CB 0.913 29.755 28.738 0.172 0.000 1.131 60 Q HN 0.445 nan 8.270 nan 0.000 0.498 61 Y N -3.340 116.994 120.300 0.056 0.000 2.705 61 Y HA 0.809 5.361 4.550 0.003 0.000 0.332 61 Y C -1.489 174.456 175.900 0.075 0.000 1.221 61 Y CA -1.631 56.506 58.100 0.063 0.000 1.059 61 Y CB 0.877 39.452 38.460 0.192 0.000 1.298 61 Y HN -0.181 nan 8.280 nan 0.000 0.459 62 A N 1.238 124.163 122.820 0.175 0.000 2.587 62 A HA 0.848 5.170 4.320 0.003 0.000 0.293 62 A C -1.480 176.246 177.584 0.235 0.000 1.087 62 A CA -1.304 50.787 52.037 0.090 0.000 0.692 62 A CB 1.954 20.974 19.000 0.033 0.000 1.291 62 A HN 0.732 nan 8.150 nan 0.000 0.407 63 R N -0.298 120.310 120.500 0.179 0.000 2.720 63 R HA 0.839 5.181 4.340 0.003 0.000 0.272 63 R C -0.389 175.970 176.300 0.099 0.000 0.991 63 R CA -0.303 55.915 56.100 0.196 0.000 1.010 63 R CB 2.182 32.583 30.300 0.168 0.000 1.141 63 R HN 1.108 nan 8.270 nan 0.000 0.494 64 A N 1.353 124.227 122.820 0.090 0.000 2.602 64 A HA 0.618 4.939 4.320 0.003 0.000 0.290 64 A C -1.414 176.195 177.584 0.041 0.000 1.114 64 A CA -0.793 51.271 52.037 0.045 0.000 0.683 64 A CB 1.967 20.981 19.000 0.024 0.000 1.281 64 A HN 0.548 nan 8.150 nan 0.000 0.416 65 K N 0.264 120.676 120.400 0.020 0.000 2.422 65 K HA 0.562 4.884 4.320 0.003 0.000 0.251 65 K C -0.549 176.057 176.600 0.010 0.000 0.933 65 K CA -0.735 55.561 56.287 0.015 0.000 0.798 65 K CB 2.314 34.817 32.500 0.005 0.000 1.238 65 K HN 0.921 nan 8.250 nan 0.000 0.428 66 V N 0.988 120.910 119.914 0.013 0.000 2.811 66 V HA 0.104 4.226 4.120 0.003 0.000 0.302 66 V C 0.534 176.632 176.094 0.006 0.000 1.063 66 V CA 0.003 62.310 62.300 0.013 0.000 1.088 66 V CB 1.328 33.164 31.823 0.022 0.000 0.982 66 V HN 0.619 nan 8.190 nan 0.000 0.485 67 V N 4.048 123.964 119.914 0.004 0.000 2.521 67 V HA 0.382 4.504 4.120 0.003 0.000 0.239 67 V C 1.065 177.163 176.094 0.006 0.000 1.053 67 V CA 1.127 63.427 62.300 0.001 0.000 1.073 67 V CB -0.248 31.573 31.823 -0.003 0.000 0.746 67 V HN 1.043 nan 8.190 nan 0.000 0.476 68 R N 0.294 120.799 120.500 0.009 0.000 2.594 68 R HA 0.380 4.722 4.340 0.003 0.000 0.265 68 R C -1.373 174.938 176.300 0.018 0.000 1.070 68 R CA -0.631 55.477 56.100 0.013 0.000 0.909 68 R CB 2.010 32.316 30.300 0.010 0.000 1.243 68 R HN 0.180 nan 8.270 nan 0.000 0.455 69 R N 4.184 124.698 120.500 0.024 0.000 2.265 69 R HA 0.224 4.566 4.340 0.003 0.000 0.319 69 R C 0.517 176.833 176.300 0.027 0.000 1.006 69 R CA -0.559 55.559 56.100 0.030 0.000 0.880 69 R CB 0.926 31.251 30.300 0.041 0.000 1.077 69 R HN 0.443 nan 8.270 nan 0.000 0.454 70 L N 1.781 123.018 121.223 0.025 0.000 2.375 70 L HA 0.092 4.434 4.340 0.003 0.000 0.215 70 L C 0.790 177.674 176.870 0.023 0.000 1.108 70 L CA 1.086 55.939 54.840 0.021 0.000 0.830 70 L CB -0.889 41.181 42.059 0.019 0.000 0.959 70 L HN 0.676 nan 8.230 nan 0.000 0.457 71 S N -2.181 113.536 115.700 0.028 0.000 2.596 71 S HA 0.576 5.048 4.470 0.003 0.000 0.270 71 S C -1.387 173.234 174.600 0.036 0.000 1.155 71 S CA -0.934 57.283 58.200 0.029 0.000 0.827 71 S CB 2.678 65.893 63.200 0.025 0.000 1.130 71 S HN -0.047 nan 8.310 nan 0.000 0.467 72 D N 1.495 121.916 120.400 0.035 0.000 2.375 72 D HA 0.565 5.207 4.640 0.003 0.000 0.247 72 D C -0.422 175.901 176.300 0.037 0.000 1.061 72 D CA -0.060 53.965 54.000 0.042 0.000 0.834 72 D CB 1.958 42.782 40.800 0.040 0.000 1.247 72 D HN 0.555 nan 8.370 nan 0.000 0.489 73 S N 2.278 118.003 115.700 0.041 0.000 2.572 73 S HA 0.153 4.625 4.470 0.003 0.000 0.279 73 S C -1.326 173.291 174.600 0.028 0.000 1.341 73 S CA -1.016 57.203 58.200 0.032 0.000 1.043 73 S CB 0.756 63.974 63.200 0.030 0.000 0.887 73 S HN 0.260 nan 8.310 nan 0.000 0.516 74 P HA -0.003 nan 4.420 nan 0.000 0.230 74 P C 0.338 177.649 177.300 0.018 0.000 1.158 74 P CA 0.806 63.917 63.100 0.019 0.000 0.769 74 P CB 0.122 31.831 31.700 0.015 0.000 0.807 75 E N -0.499 119.710 120.200 0.015 0.000 2.474 75 E HA 0.045 4.397 4.350 0.003 0.000 0.195 75 E C 0.834 177.441 176.600 0.011 0.000 1.039 75 E CA -0.300 56.106 56.400 0.010 0.000 0.881 75 E CB 0.079 29.778 29.700 -0.002 0.000 0.970 75 E HN 0.309 nan 8.360 nan 0.000 0.486 76 R N 2.208 122.724 120.500 0.025 0.000 2.484 76 R HA -0.020 4.322 4.340 0.003 0.000 0.293 76 R C -0.071 176.258 176.300 0.047 0.000 1.023 76 R CA 0.471 56.598 56.100 0.044 0.000 1.037 76 R CB 0.434 30.776 30.300 0.069 0.000 0.951 76 R HN -0.180 nan 8.270 nan 0.000 0.418 77 E N 2.536 122.769 120.200 0.056 0.000 2.212 77 E HA 0.173 4.524 4.350 0.003 0.000 0.270 77 E C -0.568 176.066 176.600 0.056 0.000 0.956 77 E CA -0.702 55.731 56.400 0.055 0.000 0.825 77 E CB 1.847 31.588 29.700 0.069 0.000 1.167 77 E HN 0.549 nan 8.360 nan 0.000 0.400 78 T N 3.970 118.540 114.554 0.027 0.000 2.834 78 T HA 0.207 4.559 4.350 0.003 0.000 0.298 78 T C -2.153 172.522 174.700 -0.041 0.000 0.966 78 T CA -0.960 61.143 62.100 0.006 0.000 1.141 78 T CB 0.193 69.053 68.868 -0.012 0.000 0.905 78 T HN 0.141 nan 8.240 nan 0.000 0.535 79 P HA 0.211 nan 4.420 nan 0.000 0.269 79 P C 0.656 177.858 177.300 -0.164 0.000 1.209 79 P CA -0.377 62.613 63.100 -0.182 0.000 0.776 79 P CB 0.738 32.313 31.700 -0.209 0.000 0.876 80 R N 0.332 120.680 120.500 -0.254 0.000 2.280 80 R HA 0.121 4.463 4.340 0.003 0.000 0.195 80 R C 0.409 176.566 176.300 -0.238 0.000 0.935 80 R CA 0.220 56.098 56.100 -0.369 0.000 1.033 80 R CB -0.159 29.615 30.300 -0.877 0.000 0.964 80 R HN 0.446 nan 8.270 nan 0.000 0.489 81 C N 2.530 121.765 119.300 -0.109 0.000 2.351 81 C HA 0.404 4.866 4.460 0.003 0.000 0.326 81 C C -1.184 173.779 174.990 -0.044 0.000 1.272 81 C CA -2.310 56.679 59.018 -0.049 0.000 1.650 81 C CB 1.509 29.306 27.740 0.095 0.000 2.257 81 C HN 0.207 nan 8.230 nan 0.000 0.505 82 P HA -0.090 nan 4.420 nan 0.000 0.226 82 P C 0.643 177.874 177.300 -0.114 0.000 1.153 82 P CA 1.472 64.468 63.100 -0.173 0.000 0.777 82 P CB -0.079 31.456 31.700 -0.274 0.000 0.794 83 H N -1.897 117.249 119.070 0.126 0.000 2.539 83 H HA 0.162 4.720 4.556 0.003 0.000 0.269 83 H C 0.457 175.873 175.328 0.147 0.000 0.980 83 H CA -0.900 55.219 56.048 0.120 0.000 1.152 83 H CB -0.799 29.040 29.762 0.127 0.000 1.407 83 H HN 0.130 nan 8.280 nan 0.000 0.564 84 F N 1.991 122.010 119.950 0.115 0.000 2.578 84 F HA 0.308 4.838 4.527 0.004 0.000 0.376 84 F C 1.478 177.320 175.800 0.070 0.000 1.085 84 F CA 1.282 59.340 58.000 0.097 0.000 1.260 84 F CB 0.425 39.471 39.000 0.076 0.000 1.095 84 F HN 0.396 nan 8.300 nan 0.000 0.573 85 G N 3.202 111.540 108.800 -0.769 0.000 2.175 85 G HA2 -0.233 3.729 3.960 0.003 0.000 0.244 85 G HA3 -0.233 3.729 3.960 0.003 0.000 0.244 85 G C 0.294 175.066 174.900 -0.212 0.000 0.982 85 G CA 0.208 44.988 45.100 -0.534 0.000 0.641 85 G HN 0.795 nan 8.290 nan 0.000 0.527 86 V N -0.283 119.572 119.914 -0.098 0.000 3.278 86 V HA 0.265 4.386 4.120 0.003 0.000 0.215 86 V C 2.097 178.194 176.094 0.005 0.000 1.287 86 V CA 0.594 62.880 62.300 -0.023 0.000 1.302 86 V CB 0.034 31.874 31.823 0.028 0.000 1.228 86 V HN 0.807 nan 8.190 nan 0.000 0.523 87 C N 2.935 122.275 119.300 0.068 0.000 2.437 87 C HA 0.251 4.713 4.460 0.003 0.000 0.399 87 C C 2.100 177.127 174.990 0.061 0.000 1.478 87 C CA 0.584 59.664 59.018 0.104 0.000 1.538 87 C CB -0.274 27.595 27.740 0.216 0.000 2.506 87 C HN 0.719 nan 8.230 nan 0.000 0.603 88 G N 4.333 113.168 108.800 0.059 0.000 2.848 88 G HA2 0.141 4.103 3.960 0.003 0.000 0.208 88 G HA3 0.141 4.103 3.960 0.003 0.000 0.208 88 G C 1.379 176.301 174.900 0.036 0.000 1.152 88 G CA 0.775 45.894 45.100 0.031 0.000 0.789 88 G HN 1.091 nan 8.290 nan 0.000 0.531 89 G N -0.177 108.638 108.800 0.025 0.000 2.402 89 G HA2 -0.103 3.859 3.960 0.003 0.000 0.216 89 G HA3 -0.103 3.859 3.960 0.003 0.000 0.216 89 G C 0.571 175.516 174.900 0.075 0.000 1.162 89 G CA 0.919 45.993 45.100 -0.044 0.000 0.777 89 G HN 0.425 nan 8.290 nan 0.000 0.539 90 C N -0.675 118.737 119.300 0.186 0.000 2.435 90 C HA 0.666 5.128 4.460 0.003 0.000 0.333 90 C C 0.883 176.101 174.990 0.378 0.000 1.202 90 C CA -0.454 58.769 59.018 0.341 0.000 1.830 90 C CB 1.803 29.834 27.740 0.486 0.000 2.326 90 C HN 0.465 nan 8.230 nan 0.000 0.507 91 Q N -0.099 119.957 119.800 0.427 0.000 2.288 91 Q HA 0.110 4.452 4.340 0.003 0.000 0.256 91 Q C 0.690 177.067 176.000 0.628 0.000 0.835 91 Q CA 0.442 56.472 55.803 0.379 0.000 0.958 91 Q CB 0.294 29.175 28.738 0.238 0.000 1.125 91 Q HN 0.880 nan 8.270 nan 0.000 0.513 92 Q N -0.868 119.291 119.800 0.597 0.000 2.409 92 Q HA 0.276 4.618 4.340 0.003 0.000 0.345 92 Q C 0.114 176.262 176.000 0.247 0.000 0.847 92 Q CA -0.111 55.983 55.803 0.484 0.000 1.092 92 Q CB 0.346 29.215 28.738 0.217 0.000 1.377 92 Q HN 0.089 nan 8.270 nan 0.000 0.399 93 Q N 0.627 120.405 119.800 -0.037 0.000 2.291 93 Q HA -0.163 4.179 4.340 0.003 0.000 0.206 93 Q C 1.491 177.391 176.000 -0.167 0.000 0.976 93 Q CA 1.639 57.237 55.803 -0.341 0.000 0.875 93 Q CB -0.000 28.169 28.738 -0.948 0.000 0.927 93 Q HN 0.715 nan 8.270 nan 0.000 0.450 94 H N -1.089 117.839 119.070 -0.237 0.000 2.547 94 H HA 0.293 4.851 4.556 0.003 0.000 0.272 94 H C 0.151 175.504 175.328 0.043 0.000 0.989 94 H CA 0.546 56.572 56.048 -0.036 0.000 1.214 94 H CB -0.056 29.766 29.762 0.100 0.000 1.389 94 H HN 0.030 nan 8.280 nan 0.000 0.577 95 A N 1.982 124.622 122.820 -0.301 0.000 2.290 95 A HA 0.424 4.745 4.320 0.003 0.000 0.310 95 A C 0.633 178.195 177.584 -0.037 0.000 1.202 95 A CA -0.074 51.843 52.037 -0.199 0.000 0.837 95 A CB 0.454 19.313 19.000 -0.234 0.000 1.139 95 A HN 0.571 nan 8.150 nan 0.000 0.509 96 S N 1.914 117.605 115.700 -0.015 0.000 2.569 96 S HA 0.120 4.592 4.470 0.003 0.000 0.274 96 S C 1.155 175.748 174.600 -0.012 0.000 1.353 96 S CA 0.032 58.244 58.200 0.020 0.000 1.023 96 S CB 0.571 63.781 63.200 0.015 0.000 0.876 96 S HN 0.830 nan 8.310 nan 0.000 0.540 97 V N 1.539 121.446 119.914 -0.011 0.000 2.392 97 V HA -0.149 3.973 4.120 0.003 0.000 0.249 97 V C 2.236 178.283 176.094 -0.078 0.000 1.059 97 V CA 2.256 64.505 62.300 -0.084 0.000 1.051 97 V CB -0.920 30.850 31.823 -0.089 0.000 0.658 97 V HN 0.862 nan 8.190 nan 0.000 0.455 98 D N -0.294 120.080 120.400 -0.044 0.000 2.117 98 D HA -0.121 4.520 4.640 0.003 0.000 0.198 98 D C 1.962 178.236 176.300 -0.042 0.000 0.982 98 D CA 1.118 55.095 54.000 -0.040 0.000 0.828 98 D CB -0.143 40.644 40.800 -0.022 0.000 0.967 98 D HN 0.396 nan 8.370 nan 0.000 0.464 99 L N 0.938 122.137 121.223 -0.039 0.000 2.141 99 L HA -0.116 4.225 4.340 0.003 0.000 0.209 99 L C 2.084 178.922 176.870 -0.053 0.000 1.094 99 L CA 1.538 56.354 54.840 -0.040 0.000 0.763 99 L CB -0.375 41.661 42.059 -0.039 0.000 0.908 99 L HN -0.065 nan 8.230 nan 0.000 0.437 100 Q N -0.875 118.882 119.800 -0.071 0.000 2.046 100 Q HA -0.229 4.113 4.340 0.003 0.000 0.200 100 Q C 2.258 178.205 176.000 -0.088 0.000 0.975 100 Q CA 2.021 57.771 55.803 -0.087 0.000 0.836 100 Q CB -0.191 28.470 28.738 -0.129 0.000 0.896 100 Q HN 0.652 nan 8.270 nan 0.000 0.428 101 Q N 0.166 119.910 119.800 -0.093 0.000 2.079 101 Q HA -0.176 4.165 4.340 0.003 0.000 0.200 101 Q C 2.136 178.100 176.000 -0.061 0.000 0.974 101 Q CA 1.299 57.051 55.803 -0.085 0.000 0.840 101 Q CB -0.144 28.541 28.738 -0.088 0.000 0.898 101 Q HN 0.247 nan 8.270 nan 0.000 0.430 102 R N 0.120 120.591 120.500 -0.049 0.000 2.092 102 R HA -0.062 4.279 4.340 0.003 0.000 0.231 102 R C 2.050 178.331 176.300 -0.033 0.000 1.119 102 R CA 1.645 57.725 56.100 -0.035 0.000 0.970 102 R CB -0.097 30.187 30.300 -0.027 0.000 0.864 102 R HN 0.004 nan 8.270 nan 0.000 0.440 103 S N 0.803 116.481 115.700 -0.036 0.000 2.355 103 S HA -0.057 4.414 4.470 0.003 0.000 0.222 103 S C 1.680 176.252 174.600 -0.046 0.000 1.031 103 S CA 1.470 59.651 58.200 -0.032 0.000 0.993 103 S CB -0.058 63.124 63.200 -0.028 0.000 0.859 103 S HN 0.403 nan 8.310 nan 0.000 0.453 104 K N 1.133 121.497 120.400 -0.061 0.000 2.097 104 K HA 0.072 4.394 4.320 0.003 0.000 0.205 104 K C 2.402 178.966 176.600 -0.061 0.000 1.050 104 K CA 1.130 57.371 56.287 -0.076 0.000 0.938 104 K CB -0.214 32.236 32.500 -0.084 0.000 0.718 104 K HN 0.121 nan 8.250 nan 0.000 0.442 105 S N 0.993 116.665 115.700 -0.048 0.000 2.368 105 S HA -0.161 4.310 4.470 0.003 0.000 0.225 105 S C 2.113 176.697 174.600 -0.027 0.000 1.030 105 S CA 1.346 59.526 58.200 -0.034 0.000 0.999 105 S CB -0.193 62.991 63.200 -0.027 0.000 0.844 105 S HN 0.449 nan 8.310 nan 0.000 0.459 106 A N 1.214 124.018 122.820 -0.026 0.000 1.929 106 A HA 0.228 4.550 4.320 0.003 0.000 0.216 106 A C 2.303 179.875 177.584 -0.021 0.000 1.176 106 A CA 1.503 53.529 52.037 -0.017 0.000 0.628 106 A CB -0.891 18.101 19.000 -0.013 0.000 0.816 106 A HN 0.499 nan 8.150 nan 0.000 0.444 107 A N -0.451 122.348 122.820 -0.035 0.000 1.898 107 A HA 0.008 4.329 4.320 0.003 0.000 0.216 107 A C 2.106 179.664 177.584 -0.044 0.000 1.181 107 A CA 1.650 53.661 52.037 -0.044 0.000 0.620 107 A CB -0.574 18.379 19.000 -0.078 0.000 0.819 107 A HN 0.598 nan 8.150 nan 0.000 0.442 108 L N -0.158 121.036 121.223 -0.048 0.000 2.017 108 L HA -0.039 4.303 4.340 0.003 0.000 0.208 108 L C 2.674 179.531 176.870 -0.023 0.000 1.073 108 L CA 2.224 57.038 54.840 -0.043 0.000 0.745 108 L CB -0.803 41.230 42.059 -0.044 0.000 0.894 108 L HN 0.330 nan 8.230 nan 0.000 0.432 109 A N -0.627 122.188 122.820 -0.009 0.000 1.972 109 A HA -0.234 4.087 4.320 0.003 0.000 0.219 109 A C 2.538 180.129 177.584 0.012 0.000 1.169 109 A CA 1.778 53.823 52.037 0.013 0.000 0.635 109 A CB -0.624 18.386 19.000 0.016 0.000 0.810 109 A HN 0.520 nan 8.150 nan 0.000 0.446 110 R N -0.618 119.882 120.500 -0.000 0.000 2.062 110 R HA 0.058 4.399 4.340 0.003 0.000 0.229 110 R C 1.992 178.294 176.300 0.002 0.000 1.128 110 R CA 1.136 57.237 56.100 0.002 0.000 0.960 110 R CB -0.337 29.962 30.300 -0.001 0.000 0.855 110 R HN 0.490 nan 8.270 nan 0.000 0.432 111 L N 0.250 121.469 121.223 -0.007 0.000 2.046 111 L HA -0.159 4.182 4.340 0.003 0.000 0.208 111 L C 2.110 178.980 176.870 -0.000 0.000 1.077 111 L CA 1.077 55.912 54.840 -0.009 0.000 0.747 111 L CB -0.075 41.967 42.059 -0.028 0.000 0.896 111 L HN 0.294 nan 8.230 nan 0.000 0.432 112 M N -1.103 118.499 119.600 0.003 0.000 2.502 112 M HA 0.014 4.496 4.480 0.003 0.000 0.243 112 M C 0.664 176.996 176.300 0.054 0.000 1.130 112 M CA 0.445 55.756 55.300 0.018 0.000 1.055 112 M CB -0.279 32.315 32.600 -0.011 0.000 1.457 112 M HN 0.033 nan 8.290 nan 0.000 0.488 113 K N 0.968 121.396 120.400 0.046 0.000 3.071 113 K HA -0.196 4.126 4.320 0.003 0.000 0.265 113 K C -0.165 176.479 176.600 0.074 0.000 1.060 113 K CA 0.658 56.971 56.287 0.045 0.000 0.767 113 K CB -1.519 31.004 32.500 0.037 0.000 1.241 113 K HN 0.394 nan 8.250 nan 0.000 0.486 114 H N 0.048 119.100 119.070 -0.031 0.000 3.046 114 H HA 0.196 4.753 4.556 0.002 0.000 0.363 114 H C -1.140 174.161 175.328 -0.044 0.000 1.203 114 H CA -0.853 55.169 56.048 -0.043 0.000 1.169 114 H CB 1.386 31.110 29.762 -0.065 0.000 1.851 114 H HN -0.005 nan 8.280 nan 0.000 0.546 115 D N 2.103 122.627 120.400 0.206 0.000 2.455 115 D HA 0.051 4.693 4.640 0.003 0.000 0.241 115 D C 0.238 176.672 176.300 0.224 0.000 1.138 115 D CA -0.000 54.097 54.000 0.162 0.000 0.877 115 D CB 1.135 41.969 40.800 0.057 0.000 1.187 115 D HN 0.141 nan 8.370 nan 0.000 0.451 116 V N 2.724 122.690 119.914 0.086 0.000 2.446 116 V HA -0.013 4.109 4.120 0.003 0.000 0.276 116 V C 1.560 177.683 176.094 0.047 0.000 1.030 116 V CA 0.298 62.624 62.300 0.044 0.000 1.033 116 V CB 0.813 32.648 31.823 0.020 0.000 0.993 116 V HN 0.654 nan 8.190 nan 0.000 0.477 117 S N 3.127 118.854 115.700 0.045 0.000 2.503 117 S HA 0.146 4.618 4.470 0.003 0.000 0.217 117 S C 0.400 175.042 174.600 0.070 0.000 0.999 117 S CA -0.070 58.159 58.200 0.049 0.000 0.914 117 S CB -0.005 63.207 63.200 0.020 0.000 0.782 117 S HN 0.909 nan 8.310 nan 0.000 0.520 118 E N -0.116 120.139 120.200 0.091 0.000 2.372 118 E HA 0.592 4.944 4.350 0.003 0.000 0.279 118 E C -1.796 174.827 176.600 0.038 0.000 0.946 118 E CA -1.181 55.264 56.400 0.075 0.000 0.769 118 E CB 1.761 31.528 29.700 0.113 0.000 1.230 118 E HN -0.042 nan 8.360 nan 0.000 0.442 119 V N 2.884 122.800 119.914 0.003 0.000 2.427 119 V HA 0.449 4.571 4.120 0.003 0.000 0.286 119 V C -0.126 175.938 176.094 -0.051 0.000 1.034 119 V CA -0.553 61.728 62.300 -0.031 0.000 0.893 119 V CB 1.059 32.856 31.823 -0.044 0.000 0.982 119 V HN 0.606 nan 8.190 nan 0.000 0.452 120 I N 3.970 124.492 120.570 -0.080 0.000 2.406 120 I HA 0.833 5.004 4.170 0.003 0.000 0.290 120 I C 0.134 176.170 176.117 -0.135 0.000 0.999 120 I CA -0.217 61.021 61.300 -0.104 0.000 1.124 120 I CB 1.796 39.721 38.000 -0.125 0.000 1.289 120 I HN 0.782 nan 8.210 nan 0.000 0.441 121 A N 4.262 127.001 122.820 -0.135 0.000 2.588 121 A HA 0.810 5.132 4.320 0.003 0.000 0.290 121 A C -1.499 175.996 177.584 -0.148 0.000 1.136 121 A CA -0.322 51.614 52.037 -0.168 0.000 0.681 121 A CB 2.236 21.141 19.000 -0.159 0.000 1.282 121 A HN 0.641 nan 8.150 nan 0.000 0.421 122 D N -2.056 118.243 120.400 -0.169 0.000 3.703 122 D HA 0.469 5.111 4.640 0.003 0.000 0.315 122 D C -0.748 175.485 176.300 -0.112 0.000 1.464 122 D CA 0.719 54.643 54.000 -0.125 0.000 0.982 122 D CB 1.098 41.823 40.800 -0.125 0.000 1.391 122 D HN 1.033 nan 8.370 nan 0.000 0.625 123 V N 0.296 120.173 119.914 -0.062 0.000 2.637 123 V HA 0.393 4.515 4.120 0.003 0.000 0.296 123 V C -1.726 174.344 176.094 -0.040 0.000 1.046 123 V CA -0.747 61.552 62.300 -0.003 0.000 1.066 123 V CB 0.927 32.792 31.823 0.069 0.000 0.968 123 V HN 0.511 nan 8.190 nan 0.000 0.483 124 P HA 0.110 nan 4.420 nan 0.000 0.231 124 P C -0.358 176.734 177.300 -0.346 0.000 1.168 124 P CA 0.740 63.660 63.100 -0.301 0.000 0.779 124 P CB 0.114 31.632 31.700 -0.304 0.000 0.844 125 W N -1.565 119.901 121.300 0.276 0.000 2.950 125 W HA 0.534 5.195 4.660 0.002 0.000 0.340 125 W C 0.618 177.238 176.519 0.169 0.000 1.139 125 W CA -0.108 57.388 57.345 0.251 0.000 1.188 125 W CB 1.102 30.639 29.460 0.128 0.000 1.426 125 W HN -0.048 nan 8.180 nan 0.000 0.531 126 G N 1.138 110.119 108.800 0.301 0.000 2.176 126 G HA2 -0.410 3.551 3.960 0.003 0.000 0.252 126 G HA3 -0.410 3.551 3.960 0.003 0.000 0.252 126 G C -0.088 174.855 174.900 0.071 0.000 1.024 126 G CA 0.858 46.038 45.100 0.133 0.000 0.755 126 G HN 0.981 nan 8.290 nan 0.000 0.507 127 Y N -1.396 118.929 120.300 0.041 0.000 2.507 127 Y HA 0.469 5.021 4.550 0.003 0.000 0.263 127 Y C 1.315 177.186 175.900 -0.050 0.000 1.093 127 Y CA -0.152 57.930 58.100 -0.030 0.000 1.285 127 Y CB 0.180 38.591 38.460 -0.082 0.000 1.115 127 Y HN 0.301 nan 8.280 nan 0.000 0.533 128 R N 3.082 123.319 120.500 -0.438 0.000 2.248 128 R HA 0.212 4.554 4.340 0.003 0.000 0.328 128 R C 0.593 176.825 176.300 -0.114 0.000 1.067 128 R CA -0.261 55.694 56.100 -0.242 0.000 0.924 128 R CB 0.426 30.510 30.300 -0.359 0.000 1.013 128 R HN 0.607 nan 8.270 nan 0.000 0.454 129 R N 2.935 123.385 120.500 -0.084 0.000 2.546 129 R HA 0.240 4.582 4.340 0.003 0.000 0.320 129 R C -0.127 176.123 176.300 -0.082 0.000 1.021 129 R CA -0.396 55.653 56.100 -0.085 0.000 1.088 129 R CB 0.487 30.712 30.300 -0.124 0.000 1.278 129 R HN 0.386 nan 8.270 nan 0.000 0.557 130 R N 0.754 121.217 120.500 -0.062 0.000 2.508 130 R HA 0.595 4.937 4.340 0.003 0.000 0.283 130 R C -2.038 174.274 176.300 0.019 0.000 1.120 130 R CA -0.325 55.751 56.100 -0.040 0.000 0.958 130 R CB 2.002 32.233 30.300 -0.116 0.000 1.215 130 R HN 0.253 nan 8.270 nan 0.000 0.427 131 A N 3.588 126.451 122.820 0.071 0.000 2.566 131 A HA 0.715 5.037 4.320 0.003 0.000 0.292 131 A C -1.491 176.198 177.584 0.174 0.000 1.112 131 A CA -0.853 51.275 52.037 0.151 0.000 0.707 131 A CB 2.003 21.142 19.000 0.231 0.000 1.302 131 A HN 0.695 nan 8.150 nan 0.000 0.409 132 R N 1.409 122.063 120.500 0.257 0.000 2.473 132 R HA 0.571 4.913 4.340 0.003 0.000 0.303 132 R C -1.873 174.587 176.300 0.267 0.000 1.002 132 R CA -0.417 55.827 56.100 0.240 0.000 0.884 132 R CB 0.697 31.152 30.300 0.258 0.000 1.173 132 R HN 0.690 nan 8.270 nan 0.000 0.464 133 L N 2.782 124.070 121.223 0.108 0.000 2.292 133 L HA 0.385 4.727 4.340 0.003 0.000 0.284 133 L C 0.301 177.188 176.870 0.029 0.000 1.065 133 L CA -0.413 54.384 54.840 -0.070 0.000 0.806 133 L CB 1.886 43.836 42.059 -0.183 0.000 1.175 133 L HN 0.584 nan 8.230 nan 0.000 0.431 134 S N 3.374 119.078 115.700 0.006 0.000 2.603 134 S HA 0.643 5.115 4.470 0.003 0.000 0.268 134 S C -0.259 174.340 174.600 -0.001 0.000 1.317 134 S CA -0.435 57.788 58.200 0.039 0.000 1.012 134 S CB 0.798 64.021 63.200 0.039 0.000 0.926 134 S HN 0.333 nan 8.310 nan 0.000 0.539 135 L N 2.114 123.355 121.223 0.030 0.000 2.422 135 L HA 0.604 4.946 4.340 0.003 0.000 0.264 135 L C -0.773 176.117 176.870 0.033 0.000 0.984 135 L CA -0.744 54.109 54.840 0.022 0.000 0.819 135 L CB 2.117 44.200 42.059 0.039 0.000 1.330 135 L HN 0.562 nan 8.230 nan 0.000 0.410 136 N N 1.015 119.733 118.700 0.031 0.000 2.503 136 N HA 0.250 4.992 4.740 0.003 0.000 0.287 136 N C -1.665 173.889 175.510 0.073 0.000 1.096 136 N CA -0.482 52.592 53.050 0.041 0.000 0.936 136 N CB 1.337 39.829 38.487 0.008 0.000 1.570 136 N HN 0.403 nan 8.380 nan 0.000 0.504 137 Y N 3.567 123.839 120.300 -0.046 0.000 2.309 137 Y HA 0.527 5.078 4.550 0.003 0.000 0.327 137 Y C -0.703 175.168 175.900 -0.048 0.000 1.172 137 Y CA -0.407 57.660 58.100 -0.056 0.000 1.280 137 Y CB 0.757 39.170 38.460 -0.078 0.000 1.234 137 Y HN 0.506 nan 8.280 nan 0.000 0.512 138 L N 9.401 130.215 121.223 -0.681 0.000 2.337 138 L HA 0.289 4.631 4.340 0.003 0.000 0.269 138 L C -1.887 174.467 176.870 -0.860 0.000 1.018 138 L CA -1.810 52.694 54.840 -0.561 0.000 0.876 138 L CB 1.512 43.377 42.059 -0.322 0.000 1.236 138 L HN 0.577 nan 8.230 nan 0.000 0.436 139 P HA -0.185 nan 4.420 nan 0.000 0.216 139 P C 1.471 178.650 177.300 -0.201 0.000 1.150 139 P CA 0.971 63.862 63.100 -0.348 0.000 0.837 139 P CB 0.232 31.922 31.700 -0.018 0.000 0.786 140 K N -0.091 120.207 120.400 -0.170 0.000 1.969 140 K HA -0.122 4.200 4.320 0.003 0.000 0.223 140 K C 1.283 177.815 176.600 -0.113 0.000 1.048 140 K CA 1.803 58.025 56.287 -0.108 0.000 0.983 140 K CB -1.196 31.249 32.500 -0.091 0.000 0.738 140 K HN 0.104 nan 8.250 nan 0.000 0.446 141 T N 0.212 114.686 114.554 -0.134 0.000 2.619 141 T HA -0.044 4.308 4.350 0.003 0.000 0.330 141 T C 0.790 175.386 174.700 -0.175 0.000 1.037 141 T CA 0.304 62.331 62.100 -0.123 0.000 1.005 141 T CB 0.460 69.260 68.868 -0.114 0.000 1.084 141 T HN 0.396 nan 8.240 nan 0.000 0.521 142 Q N 0.331 120.048 119.800 -0.138 0.000 2.175 142 Q HA 0.171 4.512 4.340 0.003 0.000 0.225 142 Q C 0.162 176.077 176.000 -0.142 0.000 0.837 142 Q CA -0.328 55.384 55.803 -0.152 0.000 1.032 142 Q CB 0.470 29.207 28.738 -0.001 0.000 1.137 142 Q HN 0.672 nan 8.270 nan 0.000 0.483 143 Q N 0.421 120.113 119.800 -0.180 0.000 2.317 143 Q HA 0.437 4.778 4.340 0.003 0.000 0.229 143 Q C -0.608 175.351 176.000 -0.069 0.000 0.984 143 Q CA -0.639 55.110 55.803 -0.090 0.000 0.911 143 Q CB 1.105 29.796 28.738 -0.078 0.000 1.217 143 Q HN 0.034 nan 8.270 nan 0.000 0.501 144 L N 1.384 122.628 121.223 0.035 0.000 2.282 144 L HA 0.227 4.569 4.340 0.003 0.000 0.288 144 L C -0.718 176.146 176.870 -0.009 0.000 1.033 144 L CA 0.042 54.921 54.840 0.065 0.000 0.807 144 L CB 1.509 43.614 42.059 0.076 0.000 1.209 144 L HN 0.605 nan 8.230 nan 0.000 0.423 145 Q N 5.469 125.256 119.800 -0.021 0.000 2.259 145 Q HA 0.500 4.842 4.340 0.003 0.000 0.249 145 Q C -0.771 175.200 176.000 -0.049 0.000 0.914 145 Q CA -0.109 55.666 55.803 -0.046 0.000 0.904 145 Q CB 1.918 30.625 28.738 -0.052 0.000 1.213 145 Q HN 0.681 nan 8.270 nan 0.000 0.428 146 M N 1.330 120.882 119.600 -0.080 0.000 2.271 146 M HA 0.607 5.088 4.480 0.003 0.000 0.285 146 M C -1.072 175.116 176.300 -0.187 0.000 1.059 146 M CA -0.096 55.138 55.300 -0.110 0.000 0.940 146 M CB 1.827 34.369 32.600 -0.096 0.000 1.636 146 M HN 0.816 nan 8.290 nan 0.000 0.460 147 G N 2.727 111.359 108.800 -0.279 0.000 2.455 147 G HA2 0.317 4.279 3.960 0.003 0.000 0.223 147 G HA3 0.317 4.279 3.960 0.003 0.000 0.223 147 G C -2.218 172.350 174.900 -0.553 0.000 1.226 147 G CA -0.716 44.095 45.100 -0.483 0.000 0.948 147 G HN 0.535 nan 8.290 nan 0.000 0.478 148 F N 0.918 120.867 119.950 -0.002 0.000 2.575 148 F HA 0.765 5.294 4.527 0.003 0.000 0.330 148 F C 0.862 176.662 175.800 -0.001 0.000 1.056 148 F CA -1.009 57.000 58.000 0.015 0.000 0.964 148 F CB 1.337 40.358 39.000 0.035 0.000 1.258 148 F HN 0.150 nan 8.300 nan 0.000 0.484 149 R N 1.140 121.769 120.500 0.215 0.000 2.582 149 R HA 0.273 4.615 4.340 0.003 0.000 0.271 149 R C -0.335 176.020 176.300 0.091 0.000 1.078 149 R CA -0.650 55.515 56.100 0.108 0.000 1.127 149 R CB 0.465 30.815 30.300 0.083 0.000 1.038 149 R HN 0.601 nan 8.270 nan 0.000 0.500 150 K N 1.038 121.465 120.400 0.046 0.000 2.319 150 K HA 0.203 4.525 4.320 0.003 0.000 0.265 150 K C 0.144 176.756 176.600 0.020 0.000 1.000 150 K CA -0.184 56.119 56.287 0.025 0.000 0.943 150 K CB 0.592 33.096 32.500 0.005 0.000 0.950 150 K HN 0.613 nan 8.250 nan 0.000 0.485 151 A N 1.144 123.968 122.820 0.007 0.000 2.477 151 A HA 0.375 4.696 4.320 0.003 0.000 0.246 151 A C 1.157 178.738 177.584 -0.006 0.000 1.078 151 A CA 0.560 52.597 52.037 0.001 0.000 0.770 151 A CB -0.529 18.463 19.000 -0.013 0.000 1.011 151 A HN 0.925 nan 8.150 nan 0.000 0.494 152 G N 0.588 109.385 108.800 -0.005 0.000 2.179 152 G HA2 -0.072 3.889 3.960 0.003 0.000 0.257 152 G HA3 -0.072 3.889 3.960 0.003 0.000 0.257 152 G C 0.260 175.157 174.900 -0.005 0.000 1.010 152 G CA 0.817 45.911 45.100 -0.010 0.000 0.736 152 G HN 1.745 nan 8.290 nan 0.000 0.513 153 S N -1.618 114.083 115.700 0.002 0.000 2.588 153 S HA 0.708 5.179 4.470 0.003 0.000 0.275 153 S C 1.138 175.743 174.600 0.010 0.000 1.130 153 S CA 0.766 58.967 58.200 0.003 0.000 0.855 153 S CB 1.510 64.710 63.200 0.001 0.000 1.116 153 S HN 1.361 nan 8.310 nan 0.000 0.472 154 S N 1.467 117.171 115.700 0.006 0.000 2.558 154 S HA 0.154 4.625 4.470 0.003 0.000 0.217 154 S C -0.037 174.567 174.600 0.007 0.000 0.975 154 S CA 0.044 58.250 58.200 0.009 0.000 0.912 154 S CB -0.393 62.810 63.200 0.006 0.000 0.776 154 S HN 0.679 nan 8.310 nan 0.000 0.526 155 D N 1.949 122.350 120.400 0.002 0.000 2.424 155 D HA 0.290 4.931 4.640 0.003 0.000 0.244 155 D C -0.083 176.216 176.300 -0.002 0.000 1.134 155 D CA 0.202 54.199 54.000 -0.005 0.000 0.881 155 D CB 0.627 41.421 40.800 -0.010 0.000 1.191 155 D HN 0.345 nan 8.370 nan 0.000 0.445 156 I N 1.493 122.055 120.570 -0.014 0.000 2.385 156 I HA 0.130 4.302 4.170 0.003 0.000 0.294 156 I C -0.031 176.054 176.117 -0.053 0.000 0.988 156 I CA -0.972 60.314 61.300 -0.023 0.000 1.265 156 I CB 1.614 39.594 38.000 -0.033 0.000 1.388 156 I HN -0.071 nan 8.210 nan 0.000 0.480 157 V N 4.827 124.701 119.914 -0.067 0.000 2.385 157 V HA 0.071 4.193 4.120 0.003 0.000 0.269 157 V C 0.022 175.988 176.094 -0.214 0.000 1.043 157 V CA -0.438 61.770 62.300 -0.154 0.000 0.906 157 V CB 1.164 32.878 31.823 -0.181 0.000 0.995 157 V HN 0.603 nan 8.190 nan 0.000 0.467 158 D N 4.556 124.837 120.400 -0.199 0.000 2.367 158 D HA 0.110 4.752 4.640 0.003 0.000 0.255 158 D C 0.229 176.412 176.300 -0.195 0.000 1.300 158 D CA -0.014 53.890 54.000 -0.160 0.000 0.959 158 D CB 0.761 41.503 40.800 -0.096 0.000 1.064 158 D HN 0.473 nan 8.370 nan 0.000 0.509 159 V N 1.919 121.733 119.914 -0.166 0.000 2.521 159 V HA 0.155 4.276 4.120 0.003 0.000 0.286 159 V C 1.185 177.386 176.094 0.178 0.000 1.034 159 V CA -0.140 62.155 62.300 -0.008 0.000 1.045 159 V CB 1.119 32.970 31.823 0.046 0.000 0.974 159 V HN 0.327 nan 8.190 nan 0.000 0.480 160 K N 3.080 123.752 120.400 0.452 0.000 2.243 160 K HA 0.121 4.442 4.320 0.003 0.000 0.201 160 K C 0.570 177.238 176.600 0.113 0.000 1.051 160 K CA 1.007 57.414 56.287 0.201 0.000 0.970 160 K CB 0.126 32.718 32.500 0.153 0.000 0.755 160 K HN 1.017 nan 8.250 nan 0.000 0.465 161 Q N -1.612 118.271 119.800 0.138 0.000 2.633 161 Q HA 0.417 4.758 4.340 0.003 0.000 0.289 161 Q C -1.570 174.519 176.000 0.148 0.000 0.940 161 Q CA -1.183 54.669 55.803 0.081 0.000 0.785 161 Q CB 1.905 30.644 28.738 0.002 0.000 1.467 161 Q HN 0.038 nan 8.270 nan 0.000 0.401 162 C N 2.302 121.683 119.300 0.134 0.000 3.171 162 C HA 0.447 4.908 4.460 0.003 0.000 0.336 162 C C -2.008 173.064 174.990 0.138 0.000 1.035 162 C CA -1.021 58.110 59.018 0.189 0.000 1.361 162 C CB 1.196 29.112 27.740 0.294 0.000 1.804 162 C HN 0.764 nan 8.230 nan 0.000 0.535 163 P HA -0.049 nan 4.420 nan 0.000 0.234 163 P C 1.103 178.579 177.300 0.294 0.000 1.167 163 P CA 0.983 64.165 63.100 0.137 0.000 0.763 163 P CB -0.091 31.593 31.700 -0.027 0.000 0.835 164 I N -4.057 116.654 120.570 0.234 0.000 2.761 164 I HA 0.037 4.209 4.170 0.003 0.000 0.261 164 I C 1.092 177.067 176.117 -0.237 0.000 1.198 164 I CA 0.432 61.739 61.300 0.011 0.000 1.482 164 I CB -0.938 37.027 38.000 -0.058 0.000 1.100 164 I HN -0.271 nan 8.210 nan 0.000 0.445 165 L N 2.334 123.519 121.223 -0.063 0.000 2.439 165 L HA 0.370 4.712 4.340 0.003 0.000 0.269 165 L C 1.002 177.850 176.870 -0.038 0.000 1.179 165 L CA -0.468 54.337 54.840 -0.058 0.000 0.828 165 L CB 0.428 42.515 42.059 0.047 0.000 1.106 165 L HN 0.317 nan 8.230 nan 0.000 0.467 166 A N 4.701 127.493 122.820 -0.047 0.000 2.540 166 A HA 0.147 4.469 4.320 0.003 0.000 0.239 166 A C -1.498 176.091 177.584 0.009 0.000 1.061 166 A CA -0.896 51.133 52.037 -0.014 0.000 0.758 166 A CB -0.182 18.804 19.000 -0.022 0.000 0.991 166 A HN 0.625 nan 8.150 nan 0.000 0.502 167 P HA -0.220 nan 4.420 nan 0.000 0.216 167 P C 1.076 178.385 177.300 0.015 0.000 1.154 167 P CA 1.736 64.849 63.100 0.021 0.000 0.865 167 P CB 0.089 31.801 31.700 0.020 0.000 0.789 168 Q N -1.079 118.726 119.800 0.007 0.000 2.167 168 Q HA -0.054 4.287 4.340 0.003 0.000 0.202 168 Q C 2.171 178.179 176.000 0.013 0.000 0.970 168 Q CA 1.068 56.873 55.803 0.004 0.000 0.855 168 Q CB -0.794 27.941 28.738 -0.006 0.000 0.911 168 Q HN 0.279 nan 8.270 nan 0.000 0.438 169 L N 0.114 121.347 121.223 0.017 0.000 2.131 169 L HA -0.087 4.255 4.340 0.003 0.000 0.206 169 L C 2.474 179.369 176.870 0.042 0.000 1.087 169 L CA 1.131 55.990 54.840 0.031 0.000 0.767 169 L CB -0.408 41.670 42.059 0.032 0.000 0.917 169 L HN 0.317 nan 8.230 nan 0.000 0.441 170 E N 1.025 121.250 120.200 0.042 0.000 2.077 170 E HA -0.241 4.111 4.350 0.003 0.000 0.193 170 E C 2.169 178.795 176.600 0.042 0.000 0.989 170 E CA 1.273 57.703 56.400 0.050 0.000 0.800 170 E CB 0.029 29.759 29.700 0.050 0.000 0.746 170 E HN 0.429 nan 8.360 nan 0.000 0.452 171 A N 0.768 123.607 122.820 0.033 0.000 2.067 171 A HA -0.073 4.249 4.320 0.003 0.000 0.219 171 A C 2.095 179.705 177.584 0.042 0.000 1.158 171 A CA 0.668 52.723 52.037 0.030 0.000 0.661 171 A CB -0.372 18.639 19.000 0.019 0.000 0.801 171 A HN 0.342 nan 8.150 nan 0.000 0.452 172 L N -0.718 120.535 121.223 0.051 0.000 2.395 172 L HA -0.032 4.310 4.340 0.003 0.000 0.218 172 L C 2.224 179.151 176.870 0.096 0.000 1.130 172 L CA 0.195 55.085 54.840 0.082 0.000 0.826 172 L CB -0.269 41.839 42.059 0.082 0.000 0.941 172 L HN 0.398 nan 8.230 nan 0.000 0.451 173 L N 0.279 121.538 121.223 0.060 0.000 1.990 173 L HA -0.198 4.143 4.340 0.003 0.000 0.213 173 L C -0.257 176.630 176.870 0.029 0.000 1.072 173 L CA 1.689 56.551 54.840 0.036 0.000 0.755 173 L CB -1.862 40.211 42.059 0.023 0.000 0.889 173 L HN 0.256 nan 8.230 nan 0.000 0.432 174 P HA -0.134 nan 4.420 nan 0.000 0.221 174 P C 1.172 178.490 177.300 0.030 0.000 1.150 174 P CA 1.319 64.433 63.100 0.024 0.000 0.800 174 P CB 0.011 31.729 31.700 0.029 0.000 0.787 175 K N -0.552 119.898 120.400 0.084 0.000 2.062 175 K HA -0.025 4.297 4.320 0.003 0.000 0.205 175 K C 2.023 178.642 176.600 0.032 0.000 1.051 175 K CA 0.981 57.365 56.287 0.161 0.000 0.941 175 K CB -0.817 31.881 32.500 0.331 0.000 0.719 175 K HN -0.031 nan 8.250 nan 0.000 0.440 176 V N 1.693 121.643 119.914 0.060 0.000 2.261 176 V HA -0.244 3.878 4.120 0.003 0.000 0.246 176 V C 2.477 178.454 176.094 -0.196 0.000 1.047 176 V CA 1.711 63.949 62.300 -0.103 0.000 1.015 176 V CB -0.478 31.367 31.823 0.038 0.000 0.642 176 V HN 0.323 nan 8.190 nan 0.000 0.446 177 R N 0.261 120.700 120.500 -0.102 0.000 2.091 177 R HA -0.195 4.147 4.340 0.003 0.000 0.238 177 R C 2.236 178.468 176.300 -0.113 0.000 1.136 177 R CA 1.879 57.922 56.100 -0.094 0.000 0.959 177 R CB -0.445 29.820 30.300 -0.058 0.000 0.856 177 R HN 0.488 nan 8.270 nan 0.000 0.437 178 A N 0.272 123.026 122.820 -0.111 0.000 1.930 178 A HA -0.178 4.143 4.320 0.003 0.000 0.217 178 A C 2.506 179.988 177.584 -0.170 0.000 1.175 178 A CA 1.402 53.377 52.037 -0.103 0.000 0.627 178 A CB -1.060 17.905 19.000 -0.058 0.000 0.815 178 A HN 0.662 nan 8.150 nan 0.000 0.443 179 C N -0.373 118.732 119.300 -0.325 0.000 2.462 179 C HA 0.008 4.470 4.460 0.003 0.000 0.278 179 C C 2.599 177.403 174.990 -0.309 0.000 1.253 179 C CA 1.135 59.890 59.018 -0.437 0.000 1.713 179 C CB -1.514 25.594 27.740 -1.053 0.000 2.049 179 C HN 0.581 nan 8.230 nan 0.000 0.477 180 L N 1.128 122.173 121.223 -0.297 0.000 2.079 180 L HA -0.015 4.327 4.340 0.003 0.000 0.210 180 L C 2.812 179.607 176.870 -0.124 0.000 1.081 180 L CA 1.728 56.457 54.840 -0.186 0.000 0.752 180 L CB -1.210 40.761 42.059 -0.146 0.000 0.896 180 L HN 0.603 nan 8.230 nan 0.000 0.433 181 G N -0.633 108.107 108.800 -0.100 0.000 2.559 181 G HA2 -0.204 3.758 3.960 0.003 0.000 0.216 181 G HA3 -0.204 3.758 3.960 0.003 0.000 0.216 181 G C 1.577 176.449 174.900 -0.046 0.000 1.126 181 G CA 0.907 45.981 45.100 -0.042 0.000 0.778 181 G HN 0.522 nan 8.290 nan 0.000 0.543 182 S N -0.527 115.124 115.700 -0.081 0.000 2.556 182 S HA 0.372 4.844 4.470 0.003 0.000 0.216 182 S C 0.755 175.308 174.600 -0.079 0.000 0.970 182 S CA -0.590 57.569 58.200 -0.069 0.000 0.912 182 S CB -0.045 63.114 63.200 -0.070 0.000 0.790 182 S HN 0.150 nan 8.310 nan 0.000 0.504 183 L N 2.003 123.166 121.223 -0.100 0.000 2.417 183 L HA 0.289 4.631 4.340 0.003 0.000 0.268 183 L C 1.983 178.790 176.870 -0.104 0.000 1.158 183 L CA -0.394 54.383 54.840 -0.104 0.000 0.819 183 L CB 0.619 42.605 42.059 -0.121 0.000 1.112 183 L HN 0.261 nan 8.230 nan 0.000 0.458 184 Q N 2.440 122.189 119.800 -0.085 0.000 2.234 184 Q HA -0.178 4.164 4.340 0.003 0.000 0.206 184 Q C 1.406 177.344 176.000 -0.103 0.000 0.980 184 Q CA 1.769 57.523 55.803 -0.081 0.000 0.869 184 Q CB 0.139 28.846 28.738 -0.050 0.000 0.912 184 Q HN 0.844 nan 8.270 nan 0.000 0.436 185 A N -0.091 122.671 122.820 -0.097 0.000 2.379 185 A HA 0.153 4.475 4.320 0.003 0.000 0.236 185 A C 1.543 179.036 177.584 -0.151 0.000 1.272 185 A CA 0.003 52.003 52.037 -0.061 0.000 0.886 185 A CB -0.356 18.623 19.000 -0.035 0.000 0.962 185 A HN 0.533 nan 8.150 nan 0.000 0.504 186 M N -0.403 119.051 119.600 -0.243 0.000 2.116 186 M HA -0.278 4.204 4.480 0.003 0.000 0.255 186 M C 1.829 177.871 176.300 -0.431 0.000 1.075 186 M CA 2.133 57.247 55.300 -0.310 0.000 1.087 186 M CB -0.650 31.725 32.600 -0.376 0.000 1.340 186 M HN 0.296 nan 8.290 nan 0.000 0.402 187 R N -0.510 119.578 120.500 -0.686 0.000 2.280 187 R HA -0.002 4.340 4.340 0.003 0.000 0.207 187 R C 0.643 176.592 176.300 -0.586 0.000 1.043 187 R CA 0.755 56.425 56.100 -0.717 0.000 1.006 187 R CB -0.302 29.485 30.300 -0.854 0.000 0.885 187 R HN 0.540 nan 8.270 nan 0.000 0.467 188 H N -0.303 118.720 119.070 -0.079 0.000 2.505 188 H HA 0.240 4.797 4.556 0.003 0.000 0.260 188 H C -0.475 174.878 175.328 0.042 0.000 1.168 188 H CA -0.264 55.781 56.048 -0.005 0.000 0.945 188 H CB 0.121 29.885 29.762 0.004 0.000 1.800 188 H HN 0.013 nan 8.280 nan 0.000 0.586 189 L N -0.186 121.083 121.223 0.077 0.000 2.307 189 L HA 0.375 4.717 4.340 0.003 0.000 0.282 189 L C 1.410 178.348 176.870 0.113 0.000 1.051 189 L CA -0.406 54.494 54.840 0.100 0.000 0.804 189 L CB 1.896 43.979 42.059 0.039 0.000 1.197 189 L HN 0.250 nan 8.230 nan 0.000 0.431 190 G N 1.055 109.950 108.800 0.158 0.000 2.615 190 G HA2 0.096 4.058 3.960 0.003 0.000 0.213 190 G HA3 0.096 4.058 3.960 0.003 0.000 0.213 190 G C 0.224 175.273 174.900 0.249 0.000 1.215 190 G CA 0.348 45.559 45.100 0.186 0.000 0.843 190 G HN 0.704 nan 8.290 nan 0.000 0.571 191 H N -2.119 116.977 119.070 0.043 0.000 2.948 191 H HA 0.612 5.170 4.556 0.003 0.000 0.315 191 H C -2.064 173.289 175.328 0.042 0.000 1.360 191 H CA -1.017 55.051 56.048 0.034 0.000 1.125 191 H CB 1.233 31.018 29.762 0.039 0.000 1.844 191 H HN 0.451 nan 8.280 nan 0.000 0.529 192 V N 0.715 120.535 119.914 -0.157 0.000 2.623 192 V HA 0.417 4.539 4.120 0.003 0.000 0.304 192 V C -1.010 175.010 176.094 -0.123 0.000 1.054 192 V CA -0.395 61.802 62.300 -0.172 0.000 0.882 192 V CB 1.696 33.480 31.823 -0.065 0.000 1.002 192 V HN 0.864 nan 8.190 nan 0.000 0.424 193 E N 6.121 126.243 120.200 -0.131 0.000 2.191 193 E HA 0.652 5.003 4.350 0.003 0.000 0.278 193 E C -1.251 175.364 176.600 0.026 0.000 0.972 193 E CA -0.540 55.851 56.400 -0.016 0.000 0.804 193 E CB 2.235 31.928 29.700 -0.011 0.000 1.110 193 E HN 0.631 nan 8.360 nan 0.000 0.394 194 L N 2.712 123.966 121.223 0.052 0.000 2.385 194 L HA 0.607 4.949 4.340 0.003 0.000 0.273 194 L C -1.025 175.878 176.870 0.055 0.000 0.990 194 L CA -1.039 53.837 54.840 0.060 0.000 0.821 194 L CB 1.807 43.902 42.059 0.060 0.000 1.279 194 L HN 0.269 nan 8.230 nan 0.000 0.412 195 V N 1.982 121.933 119.914 0.062 0.000 2.709 195 V HA 0.411 4.532 4.120 0.003 0.000 0.308 195 V C -0.806 175.317 176.094 0.047 0.000 1.062 195 V CA -0.661 61.672 62.300 0.054 0.000 0.901 195 V CB 2.193 34.086 31.823 0.117 0.000 1.003 195 V HN 0.691 nan 8.190 nan 0.000 0.425 196 Q N 2.645 122.447 119.800 0.003 0.000 2.348 196 Q HA 0.789 5.131 4.340 0.003 0.000 0.265 196 Q C -0.578 175.398 176.000 -0.041 0.000 0.998 196 Q CA 0.028 55.821 55.803 -0.016 0.000 0.831 196 Q CB 1.626 30.345 28.738 -0.032 0.000 1.251 196 Q HN 1.057 nan 8.270 nan 0.000 0.456 197 A N 2.362 125.170 122.820 -0.019 0.000 2.387 197 A HA 0.584 4.905 4.320 0.003 0.000 0.303 197 A C 0.667 178.165 177.584 -0.143 0.000 1.145 197 A CA -0.351 51.674 52.037 -0.019 0.000 0.801 197 A CB 1.009 20.132 19.000 0.205 0.000 1.342 197 A HN 0.748 nan 8.150 nan 0.000 0.440 198 T N 0.917 115.351 114.554 -0.201 0.000 2.803 198 T HA -0.149 4.203 4.350 0.003 0.000 0.269 198 T C 1.905 176.208 174.700 -0.663 0.000 1.052 198 T CA 2.254 64.146 62.100 -0.347 0.000 1.136 198 T CB -0.381 68.314 68.868 -0.288 0.000 0.864 198 T HN 0.991 nan 8.240 nan 0.000 0.467 199 S N 0.330 115.406 115.700 -1.039 0.000 2.555 199 S HA 0.418 4.890 4.470 0.003 0.000 0.230 199 S C 1.131 175.499 174.600 -0.386 0.000 0.978 199 S CA 0.195 57.789 58.200 -1.010 0.000 0.934 199 S CB -0.200 62.220 63.200 -1.299 0.000 0.766 199 S HN 0.865 nan 8.310 nan 0.000 0.533 200 G N -0.392 108.255 108.800 -0.254 0.000 2.334 200 G HA2 0.192 4.154 3.960 0.003 0.000 0.315 200 G HA3 0.192 4.154 3.960 0.003 0.000 0.315 200 G C -0.901 173.960 174.900 -0.066 0.000 1.284 200 G CA -0.583 44.442 45.100 -0.125 0.000 0.985 200 G HN 0.251 nan 8.290 nan 0.000 0.504 201 T N 0.681 115.213 114.554 -0.036 0.000 2.889 201 T HA 0.627 4.979 4.350 0.003 0.000 0.291 201 T C 0.120 174.837 174.700 0.028 0.000 0.995 201 T CA 0.664 62.763 62.100 -0.003 0.000 1.092 201 T CB 0.939 69.798 68.868 -0.014 0.000 0.954 201 T HN 1.491 nan 8.240 nan 0.000 0.506 202 L N 0.682 121.947 121.223 0.070 0.000 2.393 202 L HA 0.870 5.212 4.340 0.003 0.000 0.260 202 L C -0.927 176.022 176.870 0.132 0.000 1.002 202 L CA -1.103 53.814 54.840 0.129 0.000 0.818 202 L CB 2.161 44.355 42.059 0.224 0.000 1.369 202 L HN 0.669 nan 8.230 nan 0.000 0.412 203 M N 2.925 122.626 119.600 0.168 0.000 2.395 203 M HA 0.688 5.170 4.480 0.003 0.000 0.307 203 M C -1.908 174.509 176.300 0.194 0.000 1.091 203 M CA -0.474 54.913 55.300 0.146 0.000 0.919 203 M CB 1.881 34.566 32.600 0.141 0.000 1.662 203 M HN 0.700 nan 8.290 nan 0.000 0.440 204 I N 5.626 126.265 120.570 0.114 0.000 2.410 204 I HA 0.315 4.487 4.170 0.003 0.000 0.286 204 I C -1.288 174.830 176.117 0.001 0.000 1.009 204 I CA -0.970 60.387 61.300 0.095 0.000 1.111 204 I CB 1.772 39.789 38.000 0.028 0.000 1.262 204 I HN 0.558 nan 8.210 nan 0.000 0.443 205 L N 7.229 128.483 121.223 0.051 0.000 2.255 205 L HA 0.447 4.789 4.340 0.003 0.000 0.289 205 L C 0.012 176.940 176.870 0.098 0.000 1.046 205 L CA -0.286 54.578 54.840 0.040 0.000 0.816 205 L CB 0.753 42.856 42.059 0.073 0.000 1.197 205 L HN 0.515 nan 8.230 nan 0.000 0.427 206 R N 5.083 125.580 120.500 -0.005 0.000 2.234 206 R HA 0.436 4.778 4.340 0.003 0.000 0.324 206 R C -0.928 175.463 176.300 0.153 0.000 1.054 206 R CA -0.009 56.138 56.100 0.078 0.000 0.912 206 R CB 0.159 30.609 30.300 0.249 0.000 1.030 206 R HN 0.803 nan 8.270 nan 0.000 0.455 207 H N 1.097 120.209 119.070 0.070 0.000 2.895 207 H HA 0.307 4.864 4.556 0.003 0.000 0.373 207 H C -0.685 174.679 175.328 0.061 0.000 1.174 207 H CA -0.521 55.565 56.048 0.064 0.000 1.144 207 H CB 1.751 31.537 29.762 0.040 0.000 1.793 207 H HN 0.631 nan 8.280 nan 0.000 0.551 208 T N -0.848 113.785 114.554 0.131 0.000 3.054 208 T HA 0.579 4.931 4.350 0.003 0.000 0.255 208 T C 0.603 175.330 174.700 0.044 0.000 1.035 208 T CA 0.236 62.367 62.100 0.052 0.000 0.941 208 T CB 0.004 68.912 68.868 0.067 0.000 1.026 208 T HN 0.792 nan 8.240 nan 0.000 0.533 209 A N 2.046 124.944 122.820 0.130 0.000 2.527 209 A HA 0.849 5.171 4.320 0.003 0.000 0.293 209 A C -2.971 174.714 177.584 0.168 0.000 1.117 209 A CA -2.031 50.023 52.037 0.027 0.000 0.723 209 A CB 1.082 19.926 19.000 -0.260 0.000 1.313 209 A HN 0.154 nan 8.150 nan 0.000 0.411 210 P HA 0.415 nan 4.420 nan 0.000 0.277 210 P C -0.933 176.361 177.300 -0.010 0.000 1.240 210 P CA -0.107 63.037 63.100 0.074 0.000 0.798 210 P CB 0.642 32.359 31.700 0.029 0.000 0.979 211 L N 1.731 122.907 121.223 -0.078 0.000 2.292 211 L HA 0.219 4.560 4.340 0.003 0.000 0.284 211 L C 1.401 178.229 176.870 -0.070 0.000 1.065 211 L CA -0.528 54.232 54.840 -0.133 0.000 0.806 211 L CB 0.916 42.842 42.059 -0.222 0.000 1.175 211 L HN 0.485 nan 8.230 nan 0.000 0.431 212 S N 1.158 116.822 115.700 -0.060 0.000 2.606 212 S HA 0.082 4.554 4.470 0.003 0.000 0.257 212 S C 1.176 175.750 174.600 -0.043 0.000 1.327 212 S CA -0.453 57.722 58.200 -0.042 0.000 0.984 212 S CB 0.932 64.110 63.200 -0.036 0.000 0.941 212 S HN 0.641 nan 8.310 nan 0.000 0.576 213 S N 0.974 116.655 115.700 -0.031 0.000 2.402 213 S HA -0.031 4.441 4.470 0.003 0.000 0.229 213 S C 2.146 176.726 174.600 -0.033 0.000 1.021 213 S CA 0.748 58.931 58.200 -0.029 0.000 0.974 213 S CB -1.007 62.181 63.200 -0.020 0.000 0.800 213 S HN 0.876 nan 8.310 nan 0.000 0.484 214 A N 2.397 125.198 122.820 -0.032 0.000 1.873 214 A HA -0.143 4.179 4.320 0.003 0.000 0.215 214 A C 1.858 179.416 177.584 -0.044 0.000 1.186 214 A CA 1.692 53.709 52.037 -0.033 0.000 0.616 214 A CB -0.783 18.200 19.000 -0.029 0.000 0.823 214 A HN 0.333 nan 8.150 nan 0.000 0.442 215 D N -0.686 119.680 120.400 -0.057 0.000 2.117 215 D HA -0.115 4.527 4.640 0.003 0.000 0.197 215 D C 2.174 178.426 176.300 -0.079 0.000 0.987 215 D CA 1.137 55.091 54.000 -0.076 0.000 0.829 215 D CB -0.259 40.484 40.800 -0.096 0.000 0.961 215 D HN 0.404 nan 8.370 nan 0.000 0.460 216 R N 0.120 120.577 120.500 -0.072 0.000 2.070 216 R HA -0.132 4.210 4.340 0.003 0.000 0.233 216 R C 2.153 178.416 176.300 -0.062 0.000 1.137 216 R CA 1.338 57.396 56.100 -0.070 0.000 0.945 216 R CB -0.133 30.133 30.300 -0.057 0.000 0.845 216 R HN 0.072 nan 8.270 nan 0.000 0.430 217 E N 0.825 120.995 120.200 -0.049 0.000 2.118 217 E HA -0.184 4.168 4.350 0.003 0.000 0.195 217 E C 1.465 178.041 176.600 -0.039 0.000 0.992 217 E CA 1.553 57.927 56.400 -0.044 0.000 0.804 217 E CB 0.150 29.834 29.700 -0.026 0.000 0.741 217 E HN 0.174 nan 8.360 nan 0.000 0.458 218 K N -0.276 120.103 120.400 -0.034 0.000 2.147 218 K HA -0.111 4.211 4.320 0.003 0.000 0.205 218 K C 2.126 178.728 176.600 0.004 0.000 1.049 218 K CA 1.129 57.404 56.287 -0.020 0.000 0.936 218 K CB -0.094 32.380 32.500 -0.043 0.000 0.722 218 K HN 0.238 nan 8.250 nan 0.000 0.446 219 L N 0.422 121.632 121.223 -0.021 0.000 2.209 219 L HA -0.081 4.261 4.340 0.003 0.000 0.207 219 L C 2.254 179.128 176.870 0.006 0.000 1.094 219 L CA 0.855 55.709 54.840 0.022 0.000 0.790 219 L CB -0.094 41.951 42.059 -0.025 0.000 0.932 219 L HN 0.153 nan 8.230 nan 0.000 0.447 220 E N -0.014 120.127 120.200 -0.098 0.000 2.106 220 E HA -0.170 4.182 4.350 0.003 0.000 0.192 220 E C 2.326 178.701 176.600 -0.376 0.000 0.984 220 E CA 0.829 57.066 56.400 -0.273 0.000 0.806 220 E CB 0.186 29.739 29.700 -0.245 0.000 0.750 220 E HN 0.306 nan 8.360 nan 0.000 0.458 221 R N -0.457 119.962 120.500 -0.135 0.000 2.075 221 R HA -0.125 4.217 4.340 0.003 0.000 0.232 221 R C 2.236 178.552 176.300 0.027 0.000 1.126 221 R CA 1.256 57.339 56.100 -0.028 0.000 0.963 221 R CB -0.332 29.989 30.300 0.035 0.000 0.858 221 R HN 0.202 nan 8.270 nan 0.000 0.435 222 F N 1.489 121.389 119.950 -0.084 0.000 2.146 222 F HA -0.206 4.323 4.527 0.003 0.000 0.298 222 F C 2.576 178.348 175.800 -0.046 0.000 1.096 222 F CA 1.678 59.648 58.000 -0.051 0.000 1.275 222 F CB -0.482 38.486 39.000 -0.054 0.000 1.008 222 F HN -0.041 nan 8.300 nan 0.000 0.480 223 S N -0.505 115.094 115.700 -0.168 0.000 2.355 223 S HA -0.246 4.226 4.470 0.003 0.000 0.222 223 S C 2.118 176.624 174.600 -0.156 0.000 1.031 223 S CA 1.461 59.516 58.200 -0.241 0.000 0.993 223 S CB -0.953 62.164 63.200 -0.138 0.000 0.859 223 S HN 0.538 nan 8.310 nan 0.000 0.453 224 H N 1.917 120.911 119.070 -0.127 0.000 2.353 224 H HA -0.017 4.540 4.556 0.003 0.000 0.298 224 H C 2.735 177.989 175.328 -0.123 0.000 1.103 224 H CA 1.740 57.727 56.048 -0.102 0.000 1.293 224 H CB -0.865 28.861 29.762 -0.060 0.000 1.372 224 H HN 0.718 nan 8.280 nan 0.000 0.501 225 S N -0.136 115.553 115.700 -0.019 0.000 2.501 225 S HA 0.002 4.474 4.470 0.003 0.000 0.220 225 S C 1.376 175.888 174.600 -0.146 0.000 0.997 225 S CA 0.271 58.434 58.200 -0.062 0.000 0.919 225 S CB 0.400 63.581 63.200 -0.032 0.000 0.778 225 S HN 0.188 nan 8.310 nan 0.000 0.523 226 E N 1.336 121.368 120.200 -0.280 0.000 2.474 226 E HA 0.247 4.599 4.350 0.003 0.000 0.195 226 E C 1.011 177.503 176.600 -0.180 0.000 1.039 226 E CA 0.309 56.540 56.400 -0.283 0.000 0.881 226 E CB -0.040 29.346 29.700 -0.524 0.000 0.970 226 E HN 0.645 nan 8.360 nan 0.000 0.486 227 G N 2.231 110.954 108.800 -0.129 0.000 2.386 227 G HA2 -0.252 3.709 3.960 0.003 0.000 0.295 227 G HA3 -0.252 3.709 3.960 0.003 0.000 0.295 227 G C -0.278 174.571 174.900 -0.086 0.000 0.979 227 G CA 0.843 45.895 45.100 -0.081 0.000 1.193 227 G HN 0.211 nan 8.290 nan 0.000 0.508 228 L N -0.366 120.795 121.223 -0.103 0.000 2.381 228 L HA 0.772 5.114 4.340 0.003 0.000 0.268 228 L C -0.761 176.071 176.870 -0.065 0.000 0.997 228 L CA -1.166 53.622 54.840 -0.085 0.000 0.818 228 L CB 1.803 43.782 42.059 -0.133 0.000 1.310 228 L HN 0.073 nan 8.230 nan 0.000 0.416 229 D N 3.945 124.322 120.400 -0.038 0.000 2.308 229 D HA 0.384 5.026 4.640 0.003 0.000 0.251 229 D C -0.744 175.491 176.300 -0.109 0.000 1.127 229 D CA 0.175 54.120 54.000 -0.092 0.000 0.876 229 D CB 1.829 42.609 40.800 -0.033 0.000 1.176 229 D HN 0.422 nan 8.370 nan 0.000 0.446 230 L N 3.389 124.459 121.223 -0.256 0.000 2.341 230 L HA 0.442 4.784 4.340 0.003 0.000 0.278 230 L C -1.753 174.877 176.870 -0.399 0.000 1.005 230 L CA -0.576 54.162 54.840 -0.171 0.000 0.818 230 L CB 0.955 42.957 42.059 -0.095 0.000 1.259 230 L HN 0.231 nan 8.230 nan 0.000 0.418 231 Y N 4.642 124.951 120.300 0.014 0.000 2.499 231 Y HA 0.699 5.250 4.550 0.003 0.000 0.347 231 Y C -0.708 175.215 175.900 0.039 0.000 0.987 231 Y CA -0.847 57.264 58.100 0.018 0.000 1.044 231 Y CB 1.953 40.418 38.460 0.007 0.000 1.245 231 Y HN 0.404 nan 8.280 nan 0.000 0.461 232 L N 2.547 123.889 121.223 0.199 0.000 2.362 232 L HA 0.844 5.185 4.340 0.003 0.000 0.275 232 L C -0.512 176.453 176.870 0.159 0.000 0.998 232 L CA -1.125 53.840 54.840 0.208 0.000 0.820 232 L CB 1.967 44.170 42.059 0.240 0.000 1.270 232 L HN 0.760 nan 8.230 nan 0.000 0.415 233 A N 4.087 126.963 122.820 0.092 0.000 2.508 233 A HA 0.583 4.905 4.320 0.003 0.000 0.336 233 A C -1.999 175.438 177.584 -0.246 0.000 1.360 233 A CA -1.239 50.789 52.037 -0.015 0.000 0.841 233 A CB 0.333 19.348 19.000 0.025 0.000 1.136 233 A HN 0.526 nan 8.150 nan 0.000 0.489 234 P HA 0.052 nan 4.420 nan 0.000 0.236 234 P C -0.351 176.797 177.300 -0.253 0.000 1.177 234 P CA 1.093 63.865 63.100 -0.545 0.000 0.773 234 P CB 0.145 31.716 31.700 -0.215 0.000 0.878 235 D N -2.617 117.702 120.400 -0.135 0.000 2.779 235 D HA 0.041 4.683 4.640 0.003 0.000 0.331 235 D C 0.664 176.946 176.300 -0.029 0.000 1.331 235 D CA -0.391 53.569 54.000 -0.066 0.000 0.866 235 D CB -0.361 40.413 40.800 -0.044 0.000 1.409 235 D HN -0.246 nan 8.370 nan 0.000 0.486 236 S N -1.199 114.495 115.700 -0.010 0.000 2.481 236 S HA -0.039 4.433 4.470 0.003 0.000 0.231 236 S C 0.915 175.520 174.600 0.009 0.000 0.996 236 S CA 0.762 58.966 58.200 0.006 0.000 0.942 236 S CB -0.447 62.757 63.200 0.008 0.000 0.768 236 S HN 0.545 nan 8.310 nan 0.000 0.520 237 E N 0.052 120.254 120.200 0.003 0.000 2.460 237 E HA 0.271 4.622 4.350 0.003 0.000 0.200 237 E C -0.416 176.189 176.600 0.008 0.000 1.011 237 E CA -0.024 56.381 56.400 0.007 0.000 0.912 237 E CB 0.393 30.097 29.700 0.007 0.000 0.953 237 E HN 0.412 nan 8.360 nan 0.000 0.494 238 I N 1.795 122.369 120.570 0.006 0.000 2.433 238 I HA 0.290 4.461 4.170 0.003 0.000 0.292 238 I C -0.744 175.388 176.117 0.026 0.000 1.001 238 I CA -0.941 60.367 61.300 0.014 0.000 1.119 238 I CB 1.641 39.646 38.000 0.008 0.000 1.289 238 I HN -0.023 nan 8.210 nan 0.000 0.438 239 L N 6.530 127.778 121.223 0.043 0.000 2.342 239 L HA 0.403 4.745 4.340 0.003 0.000 0.276 239 L C -0.023 176.914 176.870 0.112 0.000 0.997 239 L CA -0.173 54.713 54.840 0.077 0.000 0.838 239 L CB 1.270 43.361 42.059 0.052 0.000 1.224 239 L HN 0.606 nan 8.230 nan 0.000 0.416 240 E N 2.662 122.938 120.200 0.126 0.000 2.167 240 E HA 0.186 4.537 4.350 0.003 0.000 0.284 240 E C -0.748 175.925 176.600 0.121 0.000 1.016 240 E CA -0.382 56.081 56.400 0.105 0.000 0.817 240 E CB 0.998 30.745 29.700 0.078 0.000 1.080 240 E HN 0.584 nan 8.360 nan 0.000 0.397 241 T N 3.641 118.247 114.554 0.086 0.000 2.727 241 T HA 0.179 4.531 4.350 0.003 0.000 0.298 241 T C 0.771 175.381 174.700 -0.150 0.000 0.942 241 T CA -0.633 61.431 62.100 -0.059 0.000 0.997 241 T CB 0.838 69.728 68.868 0.037 0.000 0.917 241 T HN 0.343 nan 8.240 nan 0.000 0.487 242 V N 4.333 124.097 119.914 -0.249 0.000 2.300 242 V HA 0.170 4.291 4.120 0.003 0.000 0.241 242 V C 1.277 177.278 176.094 -0.156 0.000 1.034 242 V CA 1.316 63.521 62.300 -0.159 0.000 1.021 242 V CB -0.092 31.644 31.823 -0.146 0.000 0.662 242 V HN 1.013 nan 8.190 nan 0.000 0.458 243 S N -0.953 114.611 115.700 -0.227 0.000 2.538 243 S HA 0.787 5.259 4.470 0.003 0.000 0.288 243 S C -0.296 174.177 174.600 -0.211 0.000 1.108 243 S CA -0.079 58.034 58.200 -0.145 0.000 0.971 243 S CB 1.915 65.073 63.200 -0.071 0.000 1.041 243 S HN 1.392 nan 8.310 nan 0.000 0.483 244 G N 1.534 110.268 108.800 -0.111 0.000 2.497 244 G HA2 0.213 4.175 3.960 0.003 0.000 0.686 244 G HA3 0.213 4.175 3.960 0.003 0.000 0.686 244 G C -1.470 173.419 174.900 -0.018 0.000 1.288 244 G CA -0.923 44.134 45.100 -0.071 0.000 0.899 244 G HN 0.735 nan 8.290 nan 0.000 0.608 245 E N 0.009 120.232 120.200 0.038 0.000 2.259 245 E HA 0.578 4.930 4.350 0.003 0.000 0.257 245 E C 0.702 177.361 176.600 0.098 0.000 0.998 245 E CA -1.115 55.325 56.400 0.068 0.000 0.866 245 E CB 0.713 30.461 29.700 0.080 0.000 1.220 245 E HN 0.477 nan 8.360 nan 0.000 0.415 246 M N 2.620 122.268 119.600 0.080 0.000 2.251 246 M HA 0.094 4.575 4.480 0.003 0.000 0.343 246 M C -1.949 174.362 176.300 0.018 0.000 1.245 246 M CA -1.343 53.968 55.300 0.020 0.000 1.061 246 M CB -0.749 31.838 32.600 -0.022 0.000 1.723 246 M HN 0.146 nan 8.290 nan 0.000 0.449 247 P HA 0.365 nan 4.420 nan 0.000 0.276 247 P C -1.153 176.035 177.300 -0.187 0.000 1.261 247 P CA -0.215 62.700 63.100 -0.308 0.000 0.800 247 P CB 0.900 32.209 31.700 -0.652 0.000 1.066 248 W N 0.178 121.512 121.300 0.057 0.000 3.059 248 W HA 0.491 5.152 4.660 0.002 0.000 0.329 248 W C -2.382 174.374 176.519 0.395 0.000 1.246 248 W CA -1.115 56.375 57.345 0.242 0.000 1.190 248 W CB 0.153 29.634 29.460 0.035 0.000 1.423 248 W HN 0.517 nan 8.180 nan 0.000 0.571 249 Y N 0.113 120.742 120.300 0.548 0.000 2.545 249 Y HA 0.576 5.128 4.550 0.003 0.000 0.348 249 Y C -0.786 175.375 175.900 0.435 0.000 1.002 249 Y CA -1.339 56.936 58.100 0.292 0.000 1.039 249 Y CB 1.373 39.853 38.460 0.033 0.000 1.271 249 Y HN 0.462 nan 8.280 nan 0.000 0.467 250 D N 1.026 121.737 120.400 0.519 0.000 2.313 250 D HA 0.446 5.088 4.640 0.003 0.000 0.247 250 D C -0.699 175.751 176.300 0.250 0.000 1.094 250 D CA -0.206 54.005 54.000 0.351 0.000 0.925 250 D CB 1.389 42.391 40.800 0.337 0.000 1.188 250 D HN 0.740 nan 8.370 nan 0.000 0.430 251 S N 3.027 118.802 115.700 0.124 0.000 2.385 251 S HA 0.340 4.812 4.470 0.003 0.000 0.191 251 S C -0.248 174.376 174.600 0.040 0.000 1.196 251 S CA -0.547 57.703 58.200 0.084 0.000 1.178 251 S CB -0.688 62.556 63.200 0.073 0.000 1.258 251 S HN 0.719 nan 8.310 nan 0.000 0.430 252 N N 2.257 120.982 118.700 0.042 0.000 1.222 252 N HA -0.215 4.527 4.740 0.003 0.000 0.134 252 N C 1.332 176.853 175.510 0.018 0.000 0.787 252 N CA 2.295 55.361 53.050 0.027 0.000 0.929 252 N CB -1.593 36.903 38.487 0.015 0.000 1.170 252 N HN 0.773 nan 8.380 nan 0.000 0.541 253 G N 0.311 109.113 108.800 0.003 0.000 2.450 253 G HA2 -0.010 3.952 3.960 0.003 0.000 0.220 253 G HA3 -0.010 3.952 3.960 0.003 0.000 0.220 253 G C 0.437 175.317 174.900 -0.035 0.000 1.130 253 G CA 0.996 46.088 45.100 -0.015 0.000 0.760 253 G HN 0.413 nan 8.290 nan 0.000 0.557 254 L N 0.344 121.552 121.223 -0.026 0.000 2.331 254 L HA 0.350 4.692 4.340 0.003 0.000 0.278 254 L C 0.648 177.471 176.870 -0.079 0.000 1.106 254 L CA -0.596 54.212 54.840 -0.053 0.000 0.824 254 L CB 1.171 43.208 42.059 -0.037 0.000 1.142 254 L HN 0.053 nan 8.230 nan 0.000 0.443 255 R N 4.502 124.910 120.500 -0.152 0.000 2.215 255 R HA 0.474 4.816 4.340 0.003 0.000 0.336 255 R C -1.217 174.986 176.300 -0.161 0.000 0.996 255 R CA -0.478 55.487 56.100 -0.225 0.000 0.847 255 R CB 0.490 30.488 30.300 -0.503 0.000 1.127 255 R HN 0.616 nan 8.270 nan 0.000 0.465 256 L N 5.495 126.629 121.223 -0.147 0.000 2.283 256 L HA 0.295 4.636 4.340 0.003 0.000 0.281 256 L C 0.494 177.346 176.870 -0.031 0.000 1.033 256 L CA -0.847 53.856 54.840 -0.227 0.000 0.848 256 L CB 1.467 43.168 42.059 -0.597 0.000 1.226 256 L HN 0.731 nan 8.230 nan 0.000 0.429 257 T N -0.072 114.519 114.554 0.062 0.000 2.898 257 T HA 0.493 4.844 4.350 0.003 0.000 0.301 257 T C -0.285 174.540 174.700 0.208 0.000 1.049 257 T CA -0.313 61.874 62.100 0.145 0.000 1.095 257 T CB 0.875 69.764 68.868 0.036 0.000 0.976 257 T HN 0.336 nan 8.240 nan 0.000 0.539 258 F N -1.009 118.965 119.950 0.040 0.000 2.706 258 F HA 0.777 5.305 4.527 0.003 0.000 0.328 258 F C -0.291 175.507 175.800 -0.004 0.000 1.123 258 F CA -1.607 56.410 58.000 0.029 0.000 0.978 258 F CB 1.303 40.359 39.000 0.094 0.000 1.404 258 F HN 0.620 nan 8.300 nan 0.000 0.497 259 S N 1.209 117.006 115.700 0.162 0.000 2.422 259 S HA 0.452 4.924 4.470 0.003 0.000 0.298 259 S C -2.011 172.606 174.600 0.030 0.000 1.118 259 S CA -1.381 56.820 58.200 0.001 0.000 1.083 259 S CB 0.948 64.171 63.200 0.038 0.000 0.971 259 S HN 0.489 nan 8.310 nan 0.000 0.478 260 P HA -0.082 nan 4.420 nan 0.000 0.216 260 P C 0.961 178.234 177.300 -0.045 0.000 1.150 260 P CA 1.230 64.195 63.100 -0.226 0.000 0.843 260 P CB 0.143 31.422 31.700 -0.700 0.000 0.787 261 R N -1.364 119.112 120.500 -0.041 0.000 2.317 261 R HA 0.102 4.444 4.340 0.003 0.000 0.208 261 R C 0.281 176.630 176.300 0.081 0.000 0.914 261 R CA 0.283 56.401 56.100 0.030 0.000 1.060 261 R CB -0.044 30.273 30.300 0.028 0.000 1.015 261 R HN 0.333 nan 8.270 nan 0.000 0.498 262 D N -0.156 120.308 120.400 0.106 0.000 2.437 262 D HA 0.054 4.696 4.640 0.003 0.000 0.259 262 D C -0.561 175.834 176.300 0.158 0.000 1.118 262 D CA -0.587 53.500 54.000 0.146 0.000 1.017 262 D CB 0.871 41.757 40.800 0.142 0.000 1.120 262 D HN -0.171 nan 8.370 nan 0.000 0.541 263 F N 1.512 121.502 119.950 0.066 0.000 2.578 263 F HA 0.163 4.691 4.527 0.003 0.000 0.376 263 F C 0.180 175.988 175.800 0.013 0.000 1.085 263 F CA 0.161 58.186 58.000 0.041 0.000 1.260 263 F CB 0.026 39.056 39.000 0.051 0.000 1.095 263 F HN 0.158 nan 8.300 nan 0.000 0.573 264 I N 2.672 122.673 120.570 -0.949 0.000 3.074 264 I HA 0.407 4.579 4.170 0.003 0.000 0.310 264 I C -1.073 174.213 176.117 -1.383 0.000 1.153 264 I CA -1.343 59.382 61.300 -0.958 0.000 0.993 264 I CB 1.715 39.259 38.000 -0.759 0.000 1.237 264 I HN 0.361 nan 8.210 nan 0.000 0.443 265 Q N 2.162 121.485 119.800 -0.796 0.000 2.364 265 Q HA 0.105 4.446 4.340 0.003 0.000 0.267 265 Q C 1.041 176.776 176.000 -0.442 0.000 0.999 265 Q CA 0.080 55.605 55.803 -0.463 0.000 0.886 265 Q CB 2.220 30.844 28.738 -0.190 0.000 1.243 265 Q HN 0.794 nan 8.270 nan 0.000 0.415 266 V N -0.979 118.781 119.914 -0.257 0.000 3.608 266 V HA 0.151 4.273 4.120 0.003 0.000 0.269 266 V C 0.352 176.374 176.094 -0.120 0.000 1.245 266 V CA 0.370 62.567 62.300 -0.172 0.000 1.138 266 V CB 0.098 31.927 31.823 0.009 0.000 0.841 266 V HN 0.581 nan 8.190 nan 0.000 0.451 267 N N 0.668 119.266 118.700 -0.170 0.000 2.531 267 N HA 0.552 5.293 4.740 0.003 0.000 0.268 267 N C 0.740 176.135 175.510 -0.192 0.000 1.023 267 N CA 0.465 53.442 53.050 -0.122 0.000 0.896 267 N CB 1.997 40.369 38.487 -0.192 0.000 1.233 267 N HN 0.208 nan 8.380 nan 0.000 0.512 268 A N 2.911 125.628 122.820 -0.173 0.000 1.898 268 A HA 0.029 4.350 4.320 0.003 0.000 0.216 268 A C 1.825 179.313 177.584 -0.160 0.000 1.181 268 A CA 1.905 53.816 52.037 -0.209 0.000 0.620 268 A CB -0.790 18.110 19.000 -0.168 0.000 0.819 268 A HN 0.651 nan 8.150 nan 0.000 0.442 269 G N -0.737 107.992 108.800 -0.119 0.000 2.402 269 G HA2 -0.052 3.910 3.960 0.003 0.000 0.216 269 G HA3 -0.052 3.910 3.960 0.003 0.000 0.216 269 G C 1.468 176.288 174.900 -0.134 0.000 1.162 269 G CA 1.178 46.215 45.100 -0.105 0.000 0.777 269 G HN 0.306 nan 8.290 nan 0.000 0.539 270 V N 1.333 121.144 119.914 -0.172 0.000 2.453 270 V HA -0.158 3.963 4.120 0.003 0.000 0.247 270 V C 2.559 178.542 176.094 -0.186 0.000 1.048 270 V CA 1.890 64.073 62.300 -0.194 0.000 1.049 270 V CB -0.468 31.198 31.823 -0.262 0.000 0.672 270 V HN 0.461 nan 8.190 nan 0.000 0.457 271 N N 0.244 118.823 118.700 -0.202 0.000 2.043 271 N HA -0.222 4.520 4.740 0.003 0.000 0.193 271 N C 1.908 177.302 175.510 -0.194 0.000 1.037 271 N CA 1.535 54.458 53.050 -0.212 0.000 0.851 271 N CB -0.224 38.102 38.487 -0.270 0.000 1.027 271 N HN 0.245 nan 8.380 nan 0.000 0.422 272 Q N 0.590 120.296 119.800 -0.156 0.000 2.112 272 Q HA -0.109 4.233 4.340 0.003 0.000 0.206 272 Q C 1.840 177.774 176.000 -0.110 0.000 0.987 272 Q CA 1.513 57.250 55.803 -0.110 0.000 0.858 272 Q CB -0.249 28.447 28.738 -0.070 0.000 0.905 272 Q HN 0.488 nan 8.270 nan 0.000 0.420 273 K N -0.488 119.842 120.400 -0.117 0.000 2.103 273 K HA -0.026 4.296 4.320 0.003 0.000 0.204 273 K C 2.074 178.591 176.600 -0.139 0.000 1.052 273 K CA 1.036 57.253 56.287 -0.116 0.000 0.945 273 K CB -0.157 32.273 32.500 -0.115 0.000 0.722 273 K HN 0.205 nan 8.250 nan 0.000 0.443 274 M N 0.737 120.251 119.600 -0.144 0.000 2.086 274 M HA -0.172 4.310 4.480 0.003 0.000 0.261 274 M C 1.838 178.096 176.300 -0.071 0.000 1.067 274 M CA 1.566 56.793 55.300 -0.121 0.000 1.116 274 M CB 0.064 32.621 32.600 -0.072 0.000 1.348 274 M HN -0.067 nan 8.290 nan 0.000 0.407 275 V N 0.967 120.794 119.914 -0.146 0.000 2.343 275 V HA -0.230 3.891 4.120 0.003 0.000 0.247 275 V C 2.735 178.808 176.094 -0.035 0.000 1.051 275 V CA 1.890 64.102 62.300 -0.147 0.000 1.036 275 V CB -1.497 30.123 31.823 -0.339 0.000 0.654 275 V HN 0.665 nan 8.190 nan 0.000 0.451 276 A N 0.076 122.854 122.820 -0.070 0.000 1.902 276 A HA -0.261 4.061 4.320 0.003 0.000 0.217 276 A C 2.317 179.857 177.584 -0.073 0.000 1.181 276 A CA 2.226 54.233 52.037 -0.049 0.000 0.623 276 A CB -0.507 18.462 19.000 -0.053 0.000 0.818 276 A HN 0.442 nan 8.150 nan 0.000 0.443 277 R N -0.184 120.220 120.500 -0.159 0.000 2.073 277 R HA 0.065 4.407 4.340 0.003 0.000 0.229 277 R C 2.243 178.287 176.300 -0.426 0.000 1.120 277 R CA 1.627 57.527 56.100 -0.332 0.000 0.967 277 R CB -0.800 29.212 30.300 -0.480 0.000 0.862 277 R HN 0.409 nan 8.270 nan 0.000 0.436 278 A N 0.254 122.927 122.820 -0.246 0.000 1.908 278 A HA -0.150 4.172 4.320 0.003 0.000 0.218 278 A C 1.972 179.598 177.584 0.070 0.000 1.181 278 A CA 1.414 53.413 52.037 -0.064 0.000 0.627 278 A CB -0.629 18.468 19.000 0.162 0.000 0.818 278 A HN 0.283 nan 8.150 nan 0.000 0.445 279 L N -0.379 120.889 121.223 0.075 0.000 2.046 279 L HA -0.165 4.177 4.340 0.003 0.000 0.208 279 L C 2.393 179.330 176.870 0.112 0.000 1.077 279 L CA 2.167 57.066 54.840 0.099 0.000 0.747 279 L CB -0.661 41.445 42.059 0.077 0.000 0.896 279 L HN 0.480 nan 8.230 nan 0.000 0.432 280 E N -1.978 118.281 120.200 0.097 0.000 2.106 280 E HA -0.233 4.119 4.350 0.003 0.000 0.192 280 E C 2.015 178.805 176.600 0.316 0.000 0.984 280 E CA 1.137 57.638 56.400 0.168 0.000 0.806 280 E CB -0.184 29.609 29.700 0.155 0.000 0.750 280 E HN 0.419 nan 8.360 nan 0.000 0.458 281 W N 0.583 121.904 121.300 0.036 0.000 2.388 281 W HA -0.050 4.610 4.660 0.001 0.000 0.294 281 W C 1.849 178.391 176.519 0.037 0.000 1.212 281 W CA 0.594 57.955 57.345 0.027 0.000 1.271 281 W CB -0.775 28.694 29.460 0.016 0.000 1.126 281 W HN 0.111 nan 8.180 nan 0.000 0.535 282 L N -0.166 121.222 121.223 0.276 0.000 2.291 282 L HA -0.115 4.227 4.340 0.003 0.000 0.214 282 L C 0.618 177.570 176.870 0.137 0.000 1.120 282 L CA 1.253 56.200 54.840 0.178 0.000 0.799 282 L CB -0.690 41.455 42.059 0.143 0.000 0.925 282 L HN -0.067 nan 8.230 nan 0.000 0.446 283 D N 0.306 120.788 120.400 0.137 0.000 2.697 283 D HA -0.158 4.484 4.640 0.003 0.000 0.238 283 D C -0.255 176.097 176.300 0.087 0.000 1.152 283 D CA 0.115 54.178 54.000 0.104 0.000 0.666 283 D CB -0.774 40.081 40.800 0.091 0.000 1.037 283 D HN -0.091 nan 8.370 nan 0.000 0.423 284 V N 1.567 121.534 119.914 0.087 0.000 2.599 284 V HA 0.067 4.189 4.120 0.003 0.000 0.300 284 V C 0.990 177.122 176.094 0.065 0.000 1.034 284 V CA 0.266 62.612 62.300 0.078 0.000 1.115 284 V CB 1.251 33.120 31.823 0.077 0.000 0.934 284 V HN 0.215 nan 8.190 nan 0.000 0.485 285 Q N 5.843 125.680 119.800 0.061 0.000 2.257 285 Q HA 0.358 4.699 4.340 0.003 0.000 0.262 285 Q C -1.849 174.178 176.000 0.045 0.000 0.997 285 Q CA -2.328 53.505 55.803 0.050 0.000 0.873 285 Q CB 1.336 30.102 28.738 0.048 0.000 1.312 285 Q HN 0.334 nan 8.270 nan 0.000 0.450 286 P HA -0.154 nan 4.420 nan 0.000 0.223 286 P C 0.601 177.920 177.300 0.031 0.000 1.144 286 P CA 1.249 64.368 63.100 0.032 0.000 0.783 286 P CB 0.400 32.115 31.700 0.026 0.000 0.771 287 E N -1.931 118.288 120.200 0.032 0.000 2.501 287 E HA 0.077 4.429 4.350 0.003 0.000 0.201 287 E C -0.351 176.272 176.600 0.038 0.000 1.016 287 E CA -0.064 56.354 56.400 0.029 0.000 0.920 287 E CB -0.311 29.403 29.700 0.024 0.000 1.023 287 E HN 0.123 nan 8.360 nan 0.000 0.474 288 D N 2.566 122.997 120.400 0.051 0.000 2.390 288 D HA 0.085 4.726 4.640 0.003 0.000 0.249 288 D C -0.249 176.100 176.300 0.082 0.000 1.144 288 D CA 0.075 54.117 54.000 0.070 0.000 0.880 288 D CB 0.987 41.836 40.800 0.081 0.000 1.182 288 D HN 0.050 nan 8.370 nan 0.000 0.451 289 R N 1.932 122.492 120.500 0.100 0.000 2.234 289 R HA 0.398 4.740 4.340 0.003 0.000 0.324 289 R C -1.189 175.300 176.300 0.315 0.000 1.054 289 R CA -0.455 55.736 56.100 0.152 0.000 0.912 289 R CB 0.501 30.818 30.300 0.029 0.000 1.030 289 R HN 0.135 nan 8.270 nan 0.000 0.455 290 V N 6.142 126.247 119.914 0.318 0.000 2.604 290 V HA 0.380 4.502 4.120 0.003 0.000 0.305 290 V C -0.874 175.250 176.094 0.051 0.000 1.043 290 V CA -0.980 61.441 62.300 0.201 0.000 0.888 290 V CB 1.659 33.536 31.823 0.089 0.000 0.995 290 V HN 0.620 nan 8.190 nan 0.000 0.429 291 L N 3.696 124.730 121.223 -0.315 0.000 2.313 291 L HA 0.721 5.063 4.340 0.003 0.000 0.283 291 L C -0.792 175.853 176.870 -0.375 0.000 1.013 291 L CA 0.144 54.578 54.840 -0.677 0.000 0.816 291 L CB 1.597 42.838 42.059 -1.363 0.000 1.236 291 L HN 0.719 nan 8.230 nan 0.000 0.419 292 D N 4.963 125.173 120.400 -0.317 0.000 2.461 292 D HA 0.352 4.994 4.640 0.003 0.000 0.240 292 D C -1.086 175.044 176.300 -0.284 0.000 1.094 292 D CA -0.094 53.769 54.000 -0.227 0.000 0.868 292 D CB 0.630 41.372 40.800 -0.096 0.000 1.062 292 D HN 0.499 nan 8.370 nan 0.000 0.530 293 L N 3.732 124.757 121.223 -0.330 0.000 2.334 293 L HA 0.421 4.763 4.340 0.003 0.000 0.277 293 L C 0.204 176.974 176.870 -0.167 0.000 1.075 293 L CA -0.927 53.648 54.840 -0.441 0.000 0.804 293 L CB 0.507 42.249 42.059 -0.528 0.000 1.174 293 L HN 0.470 nan 8.230 nan 0.000 0.438 294 F N 0.835 120.655 119.950 -0.217 0.000 2.983 294 F HA -0.232 4.297 4.527 0.003 0.000 0.288 294 F C 1.468 177.232 175.800 -0.060 0.000 0.980 294 F CA 0.535 58.453 58.000 -0.137 0.000 0.965 294 F CB -1.930 36.968 39.000 -0.170 0.000 0.967 294 F HN 0.650 nan 8.300 nan 0.000 0.800 295 C N -1.305 118.047 119.300 0.086 0.000 2.594 295 C HA 0.585 5.047 4.460 0.003 0.000 0.265 295 C C 2.167 177.288 174.990 0.218 0.000 1.351 295 C CA 0.169 59.289 59.018 0.171 0.000 1.744 295 C CB -0.812 27.049 27.740 0.201 0.000 1.890 295 C HN 1.639 nan 8.230 nan 0.000 0.551 296 G N 2.668 111.569 108.800 0.167 0.000 2.596 296 G HA2 -0.343 3.619 3.960 0.003 0.000 0.295 296 G HA3 -0.343 3.619 3.960 0.003 0.000 0.295 296 G C 0.261 175.229 174.900 0.112 0.000 1.240 296 G CA 1.380 46.580 45.100 0.168 0.000 0.985 296 G HN 1.092 nan 8.290 nan 0.000 0.555 297 M N 0.290 119.963 119.600 0.122 0.000 2.581 297 M HA 0.566 5.048 4.480 0.003 0.000 0.224 297 M C 1.498 177.811 176.300 0.022 0.000 1.171 297 M CA 0.327 55.636 55.300 0.013 0.000 0.993 297 M CB -0.353 32.291 32.600 0.073 0.000 1.685 297 M HN 2.532 nan 8.290 nan 0.000 0.479 298 G N 0.763 109.657 108.800 0.155 0.000 2.130 298 G HA2 -0.329 3.633 3.960 0.003 0.000 0.216 298 G HA3 -0.329 3.633 3.960 0.003 0.000 0.216 298 G C 0.724 175.745 174.900 0.202 0.000 0.999 298 G CA 0.325 45.580 45.100 0.258 0.000 0.686 298 G HN 0.537 nan 8.290 nan 0.000 0.515 299 N N -0.213 118.605 118.700 0.197 0.000 2.069 299 N HA -0.131 4.611 4.740 0.003 0.000 0.196 299 N C 1.749 177.246 175.510 -0.021 0.000 1.024 299 N CA 2.654 55.774 53.050 0.117 0.000 0.869 299 N CB -0.341 38.220 38.487 0.122 0.000 1.035 299 N HN 0.539 nan 8.380 nan 0.000 0.434 300 F N -0.860 119.163 119.950 0.122 0.000 2.446 300 F HA 0.173 4.701 4.527 0.002 0.000 0.292 300 F C 2.402 178.244 175.800 0.070 0.000 1.096 300 F CA 0.788 58.836 58.000 0.079 0.000 1.438 300 F CB -0.520 38.514 39.000 0.057 0.000 1.107 300 F HN -0.030 nan 8.300 nan 0.000 0.546 301 T N 0.959 115.682 114.554 0.282 0.000 2.746 301 T HA -0.148 4.204 4.350 0.003 0.000 0.267 301 T C 2.111 176.889 174.700 0.130 0.000 1.039 301 T CA 1.337 63.541 62.100 0.173 0.000 1.142 301 T CB -0.474 68.527 68.868 0.221 0.000 0.866 301 T HN 0.153 nan 8.240 nan 0.000 0.444 302 L N 0.524 121.839 121.223 0.153 0.000 2.068 302 L HA 0.037 4.378 4.340 0.003 0.000 0.204 302 L C -0.523 176.388 176.870 0.069 0.000 1.076 302 L CA 0.895 55.799 54.840 0.107 0.000 0.753 302 L CB -1.501 40.621 42.059 0.104 0.000 0.910 302 L HN 0.140 nan 8.230 nan 0.000 0.439 303 P HA -0.197 nan 4.420 nan 0.000 0.216 303 P C 1.891 179.231 177.300 0.067 0.000 1.150 303 P CA 1.446 64.579 63.100 0.054 0.000 0.843 303 P CB 0.052 31.779 31.700 0.046 0.000 0.787 304 L N -0.981 120.295 121.223 0.089 0.000 2.042 304 L HA -0.188 4.154 4.340 0.003 0.000 0.210 304 L C 2.469 179.373 176.870 0.056 0.000 1.076 304 L CA 1.697 56.585 54.840 0.080 0.000 0.749 304 L CB -1.247 40.862 42.059 0.083 0.000 0.893 304 L HN -0.054 nan 8.230 nan 0.000 0.432 305 A N -0.214 122.634 122.820 0.046 0.000 2.070 305 A HA -0.189 4.133 4.320 0.003 0.000 0.220 305 A C 2.331 179.934 177.584 0.030 0.000 1.159 305 A CA 1.912 53.967 52.037 0.030 0.000 0.656 305 A CB -0.908 18.104 19.000 0.019 0.000 0.800 305 A HN 0.555 nan 8.150 nan 0.000 0.453 306 T N -3.441 111.133 114.554 0.034 0.000 3.072 306 T HA -0.019 4.333 4.350 0.003 0.000 0.266 306 T C 1.584 176.301 174.700 0.030 0.000 1.127 306 T CA 1.390 63.507 62.100 0.027 0.000 1.107 306 T CB -0.047 68.836 68.868 0.025 0.000 0.910 306 T HN 0.616 nan 8.240 nan 0.000 0.513 307 Q N 0.169 119.991 119.800 0.038 0.000 2.471 307 Q HA 0.516 4.857 4.340 0.003 0.000 0.241 307 Q C 1.192 177.217 176.000 0.041 0.000 0.886 307 Q CA 0.172 55.999 55.803 0.040 0.000 0.953 307 Q CB 0.514 29.281 28.738 0.048 0.000 1.108 307 Q HN 0.607 nan 8.270 nan 0.000 0.575 308 A N 0.389 123.236 122.820 0.045 0.000 2.272 308 A HA 0.565 4.886 4.320 0.003 0.000 0.275 308 A C 0.967 178.575 177.584 0.039 0.000 1.096 308 A CA 0.446 52.512 52.037 0.049 0.000 0.822 308 A CB 0.309 19.344 19.000 0.059 0.000 1.088 308 A HN 0.308 nan 8.150 nan 0.000 0.495 309 A N 0.274 123.119 122.820 0.041 0.000 1.873 309 A HA 0.316 4.638 4.320 0.003 0.000 0.215 309 A C 1.174 178.776 177.584 0.029 0.000 1.186 309 A CA 1.872 53.927 52.037 0.031 0.000 0.616 309 A CB -0.647 18.369 19.000 0.028 0.000 0.823 309 A HN 1.905 nan 8.150 nan 0.000 0.442 310 S N -2.905 112.820 115.700 0.042 0.000 2.570 310 S HA 0.658 5.129 4.470 0.003 0.000 0.270 310 S C -1.143 173.497 174.600 0.066 0.000 1.149 310 S CA -0.526 57.698 58.200 0.041 0.000 0.837 310 S CB 1.730 64.953 63.200 0.038 0.000 1.124 310 S HN 0.578 nan 8.310 nan 0.000 0.465 311 V N 0.739 120.672 119.914 0.032 0.000 2.925 311 V HA 0.727 4.848 4.120 0.003 0.000 0.311 311 V C -1.059 175.007 176.094 -0.045 0.000 1.104 311 V CA -0.708 61.602 62.300 0.016 0.000 0.954 311 V CB 1.995 33.789 31.823 -0.048 0.000 1.022 311 V HN 0.886 nan 8.190 nan 0.000 0.427 312 V N 2.164 122.068 119.914 -0.016 0.000 2.483 312 V HA 0.798 4.920 4.120 0.003 0.000 0.297 312 V C 0.485 176.446 176.094 -0.221 0.000 1.027 312 V CA -0.230 62.035 62.300 -0.059 0.000 0.855 312 V CB 1.873 33.865 31.823 0.282 0.000 0.995 312 V HN 1.042 nan 8.190 nan 0.000 0.424 313 G N 3.432 112.000 108.800 -0.388 0.000 2.379 313 G HA2 0.662 4.623 3.960 0.003 0.000 0.327 313 G HA3 0.662 4.623 3.960 0.003 0.000 0.327 313 G C -1.104 173.743 174.900 -0.088 0.000 1.145 313 G CA -0.454 44.486 45.100 -0.266 0.000 0.905 313 G HN 0.560 nan 8.290 nan 0.000 0.466 314 V N 1.198 121.017 119.914 -0.159 0.000 2.735 314 V HA 0.786 4.908 4.120 0.003 0.000 0.310 314 V C -0.457 175.547 176.094 -0.150 0.000 1.061 314 V CA -0.730 61.472 62.300 -0.163 0.000 0.913 314 V CB 1.812 33.312 31.823 -0.538 0.000 1.005 314 V HN 0.952 nan 8.190 nan 0.000 0.428 315 E N 1.838 122.022 120.200 -0.027 0.000 2.380 315 E HA 0.568 4.919 4.350 0.003 0.000 0.281 315 E C 0.387 177.055 176.600 0.112 0.000 0.999 315 E CA 0.134 56.543 56.400 0.014 0.000 0.800 315 E CB 1.573 31.321 29.700 0.081 0.000 1.228 315 E HN 0.551 nan 8.360 nan 0.000 0.436 316 G N 1.110 109.972 108.800 0.104 0.000 2.595 316 G HA2 0.111 4.073 3.960 0.003 0.000 0.213 316 G HA3 0.111 4.073 3.960 0.003 0.000 0.213 316 G C -0.155 174.867 174.900 0.204 0.000 1.141 316 G CA 0.435 45.646 45.100 0.185 0.000 0.806 316 G HN 0.281 nan 8.290 nan 0.000 0.530 317 V N 2.163 122.131 119.914 0.090 0.000 2.408 317 V HA 0.169 4.291 4.120 0.003 0.000 0.267 317 V C -1.098 174.919 176.094 -0.127 0.000 1.047 317 V CA -1.143 61.163 62.300 0.010 0.000 0.937 317 V CB 1.756 33.601 31.823 0.036 0.000 0.999 317 V HN 0.038 nan 8.190 nan 0.000 0.472 318 P HA -0.237 nan 4.420 nan 0.000 0.216 318 P C 1.556 178.751 177.300 -0.175 0.000 1.157 318 P CA 2.014 64.884 63.100 -0.383 0.000 0.880 318 P CB 0.245 31.748 31.700 -0.328 0.000 0.791 319 A N -1.373 121.387 122.820 -0.101 0.000 2.015 319 A HA -0.128 4.193 4.320 0.003 0.000 0.219 319 A C 2.150 179.700 177.584 -0.058 0.000 1.163 319 A CA 1.271 53.270 52.037 -0.063 0.000 0.646 319 A CB -1.459 17.523 19.000 -0.030 0.000 0.806 319 A HN 0.139 nan 8.150 nan 0.000 0.448 320 L N -0.992 120.204 121.223 -0.045 0.000 2.131 320 L HA -0.082 4.260 4.340 0.003 0.000 0.206 320 L C 2.460 179.257 176.870 -0.122 0.000 1.087 320 L CA 0.564 55.383 54.840 -0.035 0.000 0.767 320 L CB -0.462 41.618 42.059 0.035 0.000 0.917 320 L HN 0.208 nan 8.230 nan 0.000 0.441 321 V N 0.169 120.013 119.914 -0.116 0.000 2.287 321 V HA -0.321 3.801 4.120 0.003 0.000 0.248 321 V C 2.371 178.315 176.094 -0.251 0.000 1.053 321 V CA 1.983 64.193 62.300 -0.149 0.000 1.027 321 V CB -0.472 31.323 31.823 -0.048 0.000 0.646 321 V HN 0.459 nan 8.190 nan 0.000 0.447 322 E N -0.479 119.620 120.200 -0.168 0.000 2.106 322 E HA -0.187 4.164 4.350 0.003 0.000 0.192 322 E C 2.358 178.852 176.600 -0.177 0.000 0.984 322 E CA 0.841 57.155 56.400 -0.144 0.000 0.806 322 E CB -0.101 29.545 29.700 -0.089 0.000 0.750 322 E HN 0.415 nan 8.360 nan 0.000 0.458 323 K N 0.054 120.352 120.400 -0.171 0.000 2.097 323 K HA -0.093 4.229 4.320 0.003 0.000 0.206 323 K C 2.155 178.585 176.600 -0.284 0.000 1.049 323 K CA 1.107 57.299 56.287 -0.158 0.000 0.933 323 K CB -0.599 31.858 32.500 -0.073 0.000 0.717 323 K HN 0.204 nan 8.250 nan 0.000 0.442 324 G N 1.333 109.801 108.800 -0.555 0.000 2.446 324 G HA2 -0.291 3.671 3.960 0.003 0.000 0.217 324 G HA3 -0.291 3.671 3.960 0.003 0.000 0.217 324 G C 1.529 175.913 174.900 -0.861 0.000 1.168 324 G CA 0.561 44.983 45.100 -1.130 0.000 0.771 324 G HN 0.375 nan 8.290 nan 0.000 0.551 325 Q N -0.274 119.173 119.800 -0.589 0.000 2.050 325 Q HA -0.145 4.197 4.340 0.003 0.000 0.202 325 Q C 2.807 178.776 176.000 -0.051 0.000 0.980 325 Q CA 1.575 57.314 55.803 -0.106 0.000 0.840 325 Q CB -0.165 28.540 28.738 -0.056 0.000 0.898 325 Q HN 0.591 nan 8.270 nan 0.000 0.424 326 Q N 0.018 119.760 119.800 -0.097 0.000 2.119 326 Q HA -0.126 4.215 4.340 0.003 0.000 0.201 326 Q C 1.794 177.762 176.000 -0.053 0.000 0.972 326 Q CA 0.941 56.707 55.803 -0.062 0.000 0.847 326 Q CB 0.012 28.709 28.738 -0.069 0.000 0.903 326 Q HN 0.336 nan 8.270 nan 0.000 0.433 327 N N 0.559 119.216 118.700 -0.072 0.000 2.142 327 N HA -0.112 4.630 4.740 0.003 0.000 0.186 327 N C 1.608 177.119 175.510 0.002 0.000 1.023 327 N CA 1.327 54.348 53.050 -0.048 0.000 0.852 327 N CB -0.307 38.143 38.487 -0.061 0.000 0.998 327 N HN 0.245 nan 8.380 nan 0.000 0.424 328 A N 1.266 124.125 122.820 0.065 0.000 1.877 328 A HA -0.109 4.212 4.320 0.003 0.000 0.216 328 A C 2.300 179.908 177.584 0.040 0.000 1.186 328 A CA 1.174 53.269 52.037 0.097 0.000 0.620 328 A CB -0.495 18.624 19.000 0.197 0.000 0.822 328 A HN 0.183 nan 8.150 nan 0.000 0.443 329 R N -0.565 119.950 120.500 0.026 0.000 2.080 329 R HA -0.176 4.165 4.340 0.003 0.000 0.236 329 R C 2.194 178.484 176.300 -0.017 0.000 1.137 329 R CA 1.916 58.018 56.100 0.004 0.000 0.943 329 R CB -0.540 29.759 30.300 -0.002 0.000 0.846 329 R HN 0.659 nan 8.270 nan 0.000 0.431 330 L N -0.847 120.356 121.223 -0.034 0.000 2.291 330 L HA 0.031 4.373 4.340 0.003 0.000 0.214 330 L C 0.945 177.777 176.870 -0.064 0.000 1.120 330 L CA 1.634 56.440 54.840 -0.057 0.000 0.799 330 L CB -0.251 41.760 42.059 -0.081 0.000 0.925 330 L HN 0.013 nan 8.230 nan 0.000 0.446 331 N N 0.727 119.399 118.700 -0.048 0.000 2.322 331 N HA 0.121 4.863 4.740 0.003 0.000 0.194 331 N C 1.218 176.713 175.510 -0.025 0.000 1.126 331 N CA 0.845 53.868 53.050 -0.045 0.000 0.845 331 N CB 0.560 39.024 38.487 -0.037 0.000 0.976 331 N HN 0.617 nan 8.380 nan 0.000 0.475 332 G N 1.150 109.939 108.800 -0.018 0.000 2.148 332 G HA2 -0.272 3.689 3.960 0.003 0.000 0.254 332 G HA3 -0.272 3.689 3.960 0.003 0.000 0.254 332 G C -0.097 174.803 174.900 0.001 0.000 0.981 332 G CA -0.064 45.030 45.100 -0.010 0.000 0.670 332 G HN 0.275 nan 8.290 nan 0.000 0.528 333 L N 0.269 121.498 121.223 0.010 0.000 2.260 333 L HA 0.398 4.740 4.340 0.003 0.000 0.289 333 L C 1.342 178.224 176.870 0.020 0.000 1.057 333 L CA -0.387 54.463 54.840 0.017 0.000 0.811 333 L CB 1.340 43.416 42.059 0.028 0.000 1.184 333 L HN 0.141 nan 8.230 nan 0.000 0.429 334 Q N 2.321 122.128 119.800 0.012 0.000 2.220 334 Q HA 0.080 4.422 4.340 0.003 0.000 0.205 334 Q C 0.234 176.237 176.000 0.005 0.000 0.865 334 Q CA -0.005 55.804 55.803 0.010 0.000 0.960 334 Q CB 0.353 29.096 28.738 0.007 0.000 1.097 334 Q HN 0.714 nan 8.270 nan 0.000 0.493 335 N N -0.553 118.147 118.700 0.001 0.000 2.338 335 N HA 0.086 4.827 4.740 0.003 0.000 0.251 335 N C -0.603 174.890 175.510 -0.027 0.000 1.199 335 N CA -0.036 53.012 53.050 -0.004 0.000 0.879 335 N CB 0.740 39.230 38.487 0.005 0.000 1.159 335 N HN -0.175 nan 8.380 nan 0.000 0.514 336 V N -0.082 119.800 119.914 -0.053 0.000 2.638 336 V HA 0.590 4.712 4.120 0.003 0.000 0.306 336 V C -0.293 175.683 176.094 -0.198 0.000 1.052 336 V CA -0.544 61.664 62.300 -0.153 0.000 0.885 336 V CB 1.567 33.296 31.823 -0.155 0.000 0.999 336 V HN 0.128 nan 8.190 nan 0.000 0.424 337 T N 3.967 118.324 114.554 -0.329 0.000 2.887 337 T HA 0.786 5.138 4.350 0.003 0.000 0.288 337 T C -1.052 173.275 174.700 -0.622 0.000 1.021 337 T CA -0.293 61.584 62.100 -0.371 0.000 1.000 337 T CB 1.581 70.239 68.868 -0.351 0.000 1.034 337 T HN 0.341 nan 8.240 nan 0.000 0.467 338 F N 1.565 121.307 119.950 -0.347 0.000 2.529 338 F HA 0.587 5.116 4.527 0.003 0.000 0.320 338 F C -0.860 174.727 175.800 -0.355 0.000 1.118 338 F CA -0.927 56.926 58.000 -0.245 0.000 0.915 338 F CB 1.514 40.449 39.000 -0.108 0.000 1.161 338 F HN 0.475 nan 8.300 nan 0.000 0.445 339 Y N 1.002 121.419 120.300 0.195 0.000 2.393 339 Y HA 0.328 4.880 4.550 0.003 0.000 0.341 339 Y C -0.229 175.782 175.900 0.185 0.000 0.988 339 Y CA -1.138 57.065 58.100 0.170 0.000 1.078 339 Y CB 1.184 39.733 38.460 0.149 0.000 1.203 339 Y HN 0.475 nan 8.280 nan 0.000 0.453 340 H N 3.800 123.020 119.070 0.249 0.000 2.846 340 H HA 0.407 4.964 4.556 0.003 0.000 0.278 340 H C -1.093 174.315 175.328 0.133 0.000 1.117 340 H CA -0.367 55.768 56.048 0.145 0.000 1.406 340 H CB 0.171 29.999 29.762 0.110 0.000 1.445 340 H HN 0.593 nan 8.280 nan 0.000 0.469 341 E N 3.477 123.696 120.200 0.032 0.000 2.356 341 E HA 0.132 4.484 4.350 0.003 0.000 0.275 341 E C -0.793 175.781 176.600 -0.043 0.000 0.904 341 E CA -1.085 55.278 56.400 -0.061 0.000 0.757 341 E CB 1.694 31.438 29.700 0.073 0.000 1.232 341 E HN 0.551 nan 8.360 nan 0.000 0.442 342 N N 2.095 120.766 118.700 -0.047 0.000 2.411 342 N HA 0.132 4.874 4.740 0.003 0.000 0.259 342 N C 0.200 175.719 175.510 0.015 0.000 1.103 342 N CA -0.045 53.005 53.050 -0.000 0.000 0.954 342 N CB 0.479 38.971 38.487 0.008 0.000 1.085 342 N HN 0.468 nan 8.380 nan 0.000 0.485 343 L N 2.276 123.492 121.223 -0.011 0.000 2.627 343 L HA 0.199 4.540 4.340 0.003 0.000 0.232 343 L C 1.138 178.057 176.870 0.083 0.000 1.150 343 L CA 0.280 55.112 54.840 -0.012 0.000 0.917 343 L CB 0.112 41.987 42.059 -0.306 0.000 1.104 343 L HN 0.453 nan 8.230 nan 0.000 0.445 344 E N -0.096 120.154 120.200 0.083 0.000 2.538 344 E HA 0.151 4.503 4.350 0.003 0.000 0.207 344 E C 0.183 176.817 176.600 0.055 0.000 1.002 344 E CA 0.072 56.520 56.400 0.081 0.000 0.952 344 E CB 0.802 30.550 29.700 0.081 0.000 1.031 344 E HN 0.521 nan 8.360 nan 0.000 0.476 345 E N 0.712 120.940 120.200 0.047 0.000 2.790 345 E HA 0.064 4.416 4.350 0.003 0.000 0.256 345 E C -0.265 176.349 176.600 0.024 0.000 1.246 345 E CA -0.636 55.781 56.400 0.028 0.000 1.041 345 E CB 0.550 30.259 29.700 0.014 0.000 1.272 345 E HN -0.153 nan 8.360 nan 0.000 0.603 346 D N 1.085 121.486 120.400 0.001 0.000 2.359 346 D HA -0.032 4.610 4.640 0.003 0.000 0.250 346 D C 0.635 176.911 176.300 -0.040 0.000 1.264 346 D CA -0.088 53.902 54.000 -0.018 0.000 0.911 346 D CB 0.812 41.595 40.800 -0.028 0.000 1.056 346 D HN 0.267 nan 8.370 nan 0.000 0.499 347 V N 1.924 121.815 119.914 -0.038 0.000 3.306 347 V HA -0.044 4.078 4.120 0.003 0.000 0.264 347 V C 1.887 177.803 176.094 -0.297 0.000 1.149 347 V CA 1.344 63.588 62.300 -0.093 0.000 1.143 347 V CB -0.997 30.872 31.823 0.078 0.000 0.767 347 V HN 0.604 nan 8.190 nan 0.000 0.476 348 T N -0.147 114.279 114.554 -0.213 0.000 2.962 348 T HA -0.150 4.202 4.350 0.003 0.000 0.270 348 T C 1.622 176.182 174.700 -0.234 0.000 1.088 348 T CA 1.573 63.530 62.100 -0.238 0.000 1.127 348 T CB -0.482 68.299 68.868 -0.145 0.000 0.883 348 T HN 0.796 nan 8.240 nan 0.000 0.493 349 K N 0.675 120.960 120.400 -0.191 0.000 2.374 349 K HA 0.198 4.520 4.320 0.003 0.000 0.196 349 K C 0.395 176.876 176.600 -0.199 0.000 1.023 349 K CA -0.341 55.847 56.287 -0.164 0.000 1.103 349 K CB 0.173 32.609 32.500 -0.106 0.000 0.848 349 K HN 0.377 nan 8.250 nan 0.000 0.528 350 Q N 1.512 121.140 119.800 -0.287 0.000 2.293 350 Q HA 0.119 4.461 4.340 0.003 0.000 0.251 350 Q C -1.944 173.797 176.000 -0.432 0.000 0.930 350 Q CA -2.154 53.462 55.803 -0.311 0.000 0.893 350 Q CB 1.209 29.808 28.738 -0.231 0.000 1.215 350 Q HN -0.087 nan 8.270 nan 0.000 0.425 351 P HA -0.258 nan 4.420 nan 0.000 0.218 351 P C 0.844 177.965 177.300 -0.299 0.000 1.154 351 P CA 1.662 64.537 63.100 -0.375 0.000 0.872 351 P CB -0.166 31.131 31.700 -0.671 0.000 0.790 352 W N -0.840 120.284 121.300 -0.293 0.000 2.519 352 W HA 0.211 4.873 4.660 0.003 0.000 0.266 352 W C 1.440 178.027 176.519 0.113 0.000 1.253 352 W CA 0.778 58.117 57.345 -0.010 0.000 1.274 352 W CB -1.628 27.841 29.460 0.014 0.000 1.114 352 W HN -0.105 nan 8.180 nan 0.000 0.596 353 A N 2.081 124.412 122.820 -0.815 0.000 2.206 353 A HA -0.119 4.203 4.320 0.003 0.000 0.211 353 A C 2.135 179.532 177.584 -0.312 0.000 1.158 353 A CA 1.411 52.972 52.037 -0.794 0.000 0.761 353 A CB -0.577 17.809 19.000 -1.024 0.000 0.801 353 A HN 0.355 nan 8.150 nan 0.000 0.473 354 K N -0.144 120.133 120.400 -0.204 0.000 2.354 354 K HA 0.098 4.420 4.320 0.003 0.000 0.194 354 K C -0.250 176.289 176.600 -0.102 0.000 1.045 354 K CA -0.092 56.115 56.287 -0.133 0.000 1.026 354 K CB -0.295 32.128 32.500 -0.129 0.000 0.866 354 K HN 0.463 nan 8.250 nan 0.000 0.530 355 N N 1.405 120.052 118.700 -0.088 0.000 2.454 355 N HA 0.045 4.786 4.740 0.003 0.000 0.254 355 N C -0.019 175.299 175.510 -0.321 0.000 1.228 355 N CA -0.057 52.835 53.050 -0.263 0.000 0.900 355 N CB 0.690 38.902 38.487 -0.458 0.000 1.089 355 N HN 0.286 nan 8.380 nan 0.000 0.449 356 G N 1.375 109.973 108.800 -0.336 0.000 2.442 356 G HA2 0.386 4.348 3.960 0.003 0.000 0.249 356 G HA3 0.386 4.348 3.960 0.003 0.000 0.249 356 G C -0.959 173.659 174.900 -0.470 0.000 1.263 356 G CA -0.140 44.811 45.100 -0.248 0.000 0.846 356 G HN 0.388 nan 8.290 nan 0.000 0.555 357 F N -0.197 119.790 119.950 0.062 0.000 2.578 357 F HA 0.330 4.859 4.527 0.003 0.000 0.311 357 F C 0.706 176.546 175.800 0.065 0.000 1.094 357 F CA -0.987 57.053 58.000 0.067 0.000 0.923 357 F CB 2.534 41.584 39.000 0.084 0.000 1.230 357 F HN 0.442 nan 8.300 nan 0.000 0.450 358 D N 1.187 121.736 120.400 0.249 0.000 2.216 358 D HA 0.037 4.678 4.640 0.003 0.000 0.208 358 D C 0.044 176.447 176.300 0.171 0.000 0.960 358 D CA 1.091 55.193 54.000 0.170 0.000 0.861 358 D CB 0.468 41.342 40.800 0.123 0.000 0.985 358 D HN 0.384 nan 8.370 nan 0.000 0.493 359 K N 0.248 120.756 120.400 0.179 0.000 2.464 359 K HA 0.530 4.851 4.320 0.003 0.000 0.253 359 K C -1.313 175.324 176.600 0.062 0.000 0.933 359 K CA -0.522 55.839 56.287 0.122 0.000 0.801 359 K CB 3.632 36.197 32.500 0.108 0.000 1.271 359 K HN -0.278 nan 8.250 nan 0.000 0.430 360 V N 3.547 123.469 119.914 0.014 0.000 2.638 360 V HA 0.501 4.623 4.120 0.003 0.000 0.306 360 V C -1.052 174.993 176.094 -0.082 0.000 1.052 360 V CA -0.914 61.335 62.300 -0.086 0.000 0.885 360 V CB 1.800 33.560 31.823 -0.105 0.000 0.999 360 V HN 0.639 nan 8.190 nan 0.000 0.424 361 L N 6.117 127.253 121.223 -0.145 0.000 2.362 361 L HA 0.875 5.216 4.340 0.003 0.000 0.271 361 L C -1.128 175.601 176.870 -0.235 0.000 1.002 361 L CA -0.558 54.175 54.840 -0.177 0.000 0.818 361 L CB 1.787 43.716 42.059 -0.218 0.000 1.298 361 L HN 0.754 nan 8.230 nan 0.000 0.420 362 L N 1.000 122.067 121.223 -0.260 0.000 2.445 362 L HA 0.740 5.082 4.340 0.003 0.000 0.262 362 L C -1.533 175.148 176.870 -0.314 0.000 0.974 362 L CA -0.570 54.113 54.840 -0.260 0.000 0.822 362 L CB 2.104 43.966 42.059 -0.328 0.000 1.339 362 L HN 0.511 nan 8.230 nan 0.000 0.409 363 D N 2.686 122.960 120.400 -0.211 0.000 2.968 363 D HA 0.350 4.992 4.640 0.003 0.000 0.301 363 D C -2.657 173.475 176.300 -0.281 0.000 1.226 363 D CA -1.173 52.708 54.000 -0.198 0.000 0.746 363 D CB 1.195 41.916 40.800 -0.131 0.000 1.278 363 D HN 0.461 nan 8.370 nan 0.000 0.544 364 P HA 0.276 nan 4.420 nan 0.000 0.272 364 P C 0.132 177.138 177.300 -0.491 0.000 1.240 364 P CA -0.424 62.040 63.100 -1.060 0.000 0.791 364 P CB 0.953 31.882 31.700 -1.285 0.000 0.978 365 A N 2.288 124.855 122.820 -0.421 0.000 2.325 365 A HA 0.048 4.370 4.320 0.003 0.000 0.260 365 A C 1.827 179.314 177.584 -0.161 0.000 1.133 365 A CA -0.013 51.884 52.037 -0.234 0.000 0.801 365 A CB -0.380 18.527 19.000 -0.155 0.000 1.092 365 A HN 0.527 nan 8.150 nan 0.000 0.504 366 R N -0.407 120.037 120.500 -0.093 0.000 2.154 366 R HA -0.220 4.121 4.340 0.003 0.000 0.248 366 R C 2.006 178.283 176.300 -0.038 0.000 1.155 366 R CA 1.652 57.725 56.100 -0.046 0.000 0.979 366 R CB -0.479 29.808 30.300 -0.021 0.000 0.869 366 R HN 0.752 nan 8.270 nan 0.000 0.452 367 A N 0.331 123.122 122.820 -0.049 0.000 2.209 367 A HA 0.210 4.531 4.320 0.003 0.000 0.212 367 A C 1.103 178.663 177.584 -0.041 0.000 1.158 367 A CA 0.911 52.930 52.037 -0.030 0.000 0.742 367 A CB -0.382 18.609 19.000 -0.016 0.000 0.790 367 A HN 0.508 nan 8.150 nan 0.000 0.472 368 G N -1.629 107.117 108.800 -0.091 0.000 2.584 368 G HA2 0.239 4.200 3.960 0.003 0.000 0.229 368 G HA3 0.239 4.200 3.960 0.003 0.000 0.229 368 G C 0.375 175.175 174.900 -0.166 0.000 1.320 368 G CA -0.044 45.008 45.100 -0.081 0.000 0.891 368 G HN 1.697 nan 8.290 nan 0.000 0.573 369 A N -1.386 121.399 122.820 -0.058 0.000 2.663 369 A HA 0.858 5.180 4.320 0.003 0.000 0.273 369 A C 1.576 179.204 177.584 0.074 0.000 0.932 369 A CA 1.320 53.350 52.037 -0.010 0.000 1.055 369 A CB -0.111 18.815 19.000 -0.123 0.000 1.206 369 A HN 2.418 nan 8.150 nan 0.000 0.485 370 A N -0.119 122.740 122.820 0.066 0.000 1.978 370 A HA 0.090 4.412 4.320 0.003 0.000 0.220 370 A C 2.072 179.699 177.584 0.072 0.000 1.170 370 A CA 2.013 54.087 52.037 0.061 0.000 0.636 370 A CB -0.650 18.378 19.000 0.048 0.000 0.810 370 A HN 1.072 nan 8.150 nan 0.000 0.448 371 G N -0.904 107.954 108.800 0.097 0.000 2.679 371 G HA2 0.117 4.078 3.960 0.003 0.000 0.212 371 G HA3 0.117 4.078 3.960 0.003 0.000 0.212 371 G C 1.108 176.077 174.900 0.115 0.000 1.137 371 G CA 1.353 46.511 45.100 0.098 0.000 0.787 371 G HN 1.053 nan 8.290 nan 0.000 0.534 372 V N -4.173 115.819 119.914 0.129 0.000 3.502 372 V HA 0.309 4.431 4.120 0.003 0.000 0.288 372 V C 2.185 178.341 176.094 0.103 0.000 1.461 372 V CA -0.001 62.394 62.300 0.159 0.000 1.029 372 V CB 0.306 32.219 31.823 0.151 0.000 0.843 372 V HN 0.021 nan 8.190 nan 0.000 0.438 373 M N 0.613 120.247 119.600 0.056 0.000 2.086 373 M HA -0.028 4.454 4.480 0.003 0.000 0.261 373 M C 2.274 178.579 176.300 0.009 0.000 1.067 373 M CA 1.690 56.995 55.300 0.009 0.000 1.116 373 M CB -1.250 31.352 32.600 0.004 0.000 1.348 373 M HN 0.374 nan 8.290 nan 0.000 0.407 374 Q N -0.253 119.562 119.800 0.025 0.000 2.124 374 Q HA -0.206 4.136 4.340 0.003 0.000 0.202 374 Q C 2.097 178.113 176.000 0.027 0.000 0.977 374 Q CA 1.473 57.288 55.803 0.022 0.000 0.850 374 Q CB -0.582 28.166 28.738 0.018 0.000 0.901 374 Q HN 0.550 nan 8.270 nan 0.000 0.429 375 Q N 0.567 120.392 119.800 0.041 0.000 2.123 375 Q HA -0.014 4.328 4.340 0.003 0.000 0.199 375 Q C 1.979 178.031 176.000 0.088 0.000 0.966 375 Q CA 0.965 56.788 55.803 0.034 0.000 0.845 375 Q CB -0.195 28.549 28.738 0.011 0.000 0.907 375 Q HN 0.393 nan 8.270 nan 0.000 0.439 376 I N -0.165 120.469 120.570 0.106 0.000 2.208 376 I HA -0.297 3.874 4.170 0.003 0.000 0.245 376 I C 2.015 178.154 176.117 0.038 0.000 1.097 376 I CA 1.123 62.464 61.300 0.068 0.000 1.363 376 I CB -0.307 37.673 38.000 -0.032 0.000 1.051 376 I HN 0.242 nan 8.210 nan 0.000 0.413 377 I N 0.486 121.067 120.570 0.018 0.000 2.208 377 I HA -0.334 3.837 4.170 0.003 0.000 0.245 377 I C 2.545 178.730 176.117 0.113 0.000 1.097 377 I CA 1.498 62.847 61.300 0.081 0.000 1.363 377 I CB -0.414 37.632 38.000 0.076 0.000 1.051 377 I HN 0.175 nan 8.210 nan 0.000 0.413 378 K N 0.624 121.068 120.400 0.073 0.000 2.209 378 K HA -0.106 4.216 4.320 0.003 0.000 0.204 378 K C 1.928 178.574 176.600 0.076 0.000 1.048 378 K CA 1.099 57.420 56.287 0.057 0.000 0.940 378 K CB -0.039 32.471 32.500 0.017 0.000 0.729 378 K HN 0.359 nan 8.250 nan 0.000 0.451 379 L N 0.359 121.650 121.223 0.113 0.000 2.492 379 L HA 0.000 4.342 4.340 0.003 0.000 0.223 379 L C -0.013 176.952 176.870 0.159 0.000 1.132 379 L CA 0.327 55.259 54.840 0.154 0.000 0.850 379 L CB -0.235 41.979 42.059 0.259 0.000 0.966 379 L HN 0.191 nan 8.230 nan 0.000 0.454 380 E N -0.564 119.737 120.200 0.169 0.000 2.320 380 E HA -0.163 4.189 4.350 0.003 0.000 0.234 380 E C -2.123 174.605 176.600 0.214 0.000 1.183 380 E CA -0.361 56.154 56.400 0.191 0.000 0.713 380 E CB -1.209 28.558 29.700 0.111 0.000 1.226 380 E HN 0.346 nan 8.360 nan 0.000 0.382 381 P HA -0.029 nan 4.420 nan 0.000 0.271 381 P C 1.128 178.598 177.300 0.282 0.000 1.218 381 P CA 0.163 63.400 63.100 0.228 0.000 0.780 381 P CB 0.422 32.226 31.700 0.173 0.000 0.901 382 I N -0.672 120.019 120.570 0.202 0.000 2.761 382 I HA 0.104 4.276 4.170 0.003 0.000 0.261 382 I C 0.481 176.729 176.117 0.219 0.000 1.198 382 I CA 0.708 62.116 61.300 0.181 0.000 1.482 382 I CB -0.171 37.894 38.000 0.108 0.000 1.100 382 I HN 0.221 nan 8.210 nan 0.000 0.445 383 R N 1.012 121.637 120.500 0.208 0.000 2.698 383 R HA 0.743 5.084 4.340 0.003 0.000 0.275 383 R C -1.438 174.963 176.300 0.168 0.000 1.001 383 R CA -0.697 55.526 56.100 0.205 0.000 0.896 383 R CB 2.879 33.270 30.300 0.152 0.000 1.218 383 R HN 0.052 nan 8.270 nan 0.000 0.462 384 I N 1.747 122.427 120.570 0.184 0.000 2.466 384 I HA 0.341 4.513 4.170 0.003 0.000 0.289 384 I C -0.702 175.569 176.117 0.257 0.000 1.026 384 I CA -1.021 60.361 61.300 0.137 0.000 1.078 384 I CB 2.362 40.361 38.000 -0.002 0.000 1.249 384 I HN 0.176 nan 8.210 nan 0.000 0.429 385 V N 6.282 126.304 119.914 0.181 0.000 2.370 385 V HA 0.296 4.417 4.120 0.003 0.000 0.283 385 V C -1.054 175.153 176.094 0.189 0.000 1.023 385 V CA -0.652 61.779 62.300 0.218 0.000 0.857 385 V CB 1.438 33.357 31.823 0.159 0.000 0.985 385 V HN 0.446 nan 8.190 nan 0.000 0.443 386 Y N 5.455 125.845 120.300 0.151 0.000 2.334 386 Y HA 0.665 5.216 4.550 0.003 0.000 0.336 386 Y C -0.386 175.529 175.900 0.026 0.000 0.960 386 Y CA -1.196 56.954 58.100 0.083 0.000 1.164 386 Y CB 1.703 40.290 38.460 0.212 0.000 1.155 386 Y HN 0.375 nan 8.280 nan 0.000 0.478 387 V N 5.239 125.348 119.914 0.325 0.000 2.483 387 V HA 0.668 4.790 4.120 0.003 0.000 0.295 387 V C -0.366 175.886 176.094 0.264 0.000 1.035 387 V CA -0.510 61.895 62.300 0.174 0.000 0.896 387 V CB 1.561 33.375 31.823 -0.014 0.000 0.986 387 V HN 0.777 nan 8.190 nan 0.000 0.447 388 S N 2.246 118.049 115.700 0.171 0.000 2.541 388 S HA 0.392 4.864 4.470 0.003 0.000 0.271 388 S C 0.028 174.687 174.600 0.099 0.000 1.133 388 S CA -0.261 58.022 58.200 0.139 0.000 0.876 388 S CB 1.559 64.780 63.200 0.035 0.000 1.105 388 S HN 1.035 nan 8.310 nan 0.000 0.470 389 C N 2.532 121.888 119.300 0.093 0.000 2.994 389 C HA 0.656 5.118 4.460 0.003 0.000 0.284 389 C C 0.073 175.106 174.990 0.071 0.000 1.404 389 C CA -0.608 58.488 59.018 0.129 0.000 1.775 389 C CB -1.929 25.908 27.740 0.162 0.000 2.458 389 C HN 0.665 nan 8.230 nan 0.000 0.593 390 N N 1.038 119.756 118.700 0.029 0.000 2.793 390 N HA 0.290 5.031 4.740 0.003 0.000 0.251 390 N C -2.251 173.237 175.510 -0.037 0.000 1.308 390 N CA -1.255 51.796 53.050 0.001 0.000 0.781 390 N CB 1.432 39.926 38.487 0.011 0.000 1.439 390 N HN -0.041 nan 8.380 nan 0.000 0.562 391 P HA -0.044 nan 4.420 nan 0.000 0.220 391 P C 1.016 178.271 177.300 -0.075 0.000 1.148 391 P CA 0.919 63.969 63.100 -0.084 0.000 0.803 391 P CB 0.312 31.958 31.700 -0.089 0.000 0.782 392 A N 0.140 122.928 122.820 -0.053 0.000 1.898 392 A HA -0.145 4.176 4.320 0.003 0.000 0.216 392 A C 2.262 179.830 177.584 -0.027 0.000 1.181 392 A CA 2.493 54.512 52.037 -0.030 0.000 0.620 392 A CB -1.829 17.166 19.000 -0.008 0.000 0.819 392 A HN 0.359 nan 8.150 nan 0.000 0.442 393 T N -2.006 112.532 114.554 -0.026 0.000 2.942 393 T HA -0.041 4.311 4.350 0.003 0.000 0.265 393 T C 1.781 176.461 174.700 -0.033 0.000 1.062 393 T CA 1.165 63.259 62.100 -0.010 0.000 1.139 393 T CB -0.464 68.409 68.868 0.008 0.000 0.883 393 T HN 0.216 nan 8.240 nan 0.000 0.468 394 L N 2.209 123.362 121.223 -0.118 0.000 1.989 394 L HA 0.133 4.475 4.340 0.003 0.000 0.211 394 L C 2.834 179.584 176.870 -0.200 0.000 1.071 394 L CA 2.075 56.718 54.840 -0.328 0.000 0.749 394 L CB -1.283 40.524 42.059 -0.420 0.000 0.890 394 L HN 0.325 nan 8.230 nan 0.000 0.431 395 A N -0.331 122.425 122.820 -0.106 0.000 1.902 395 A HA -0.247 4.075 4.320 0.003 0.000 0.217 395 A C 2.553 180.127 177.584 -0.016 0.000 1.181 395 A CA 1.800 53.811 52.037 -0.043 0.000 0.623 395 A CB -0.745 18.240 19.000 -0.026 0.000 0.818 395 A HN 0.557 nan 8.150 nan 0.000 0.443 396 R N -0.211 120.281 120.500 -0.014 0.000 2.080 396 R HA -0.198 4.143 4.340 0.003 0.000 0.236 396 R C 1.340 177.649 176.300 0.015 0.000 1.137 396 R CA 2.121 58.224 56.100 0.006 0.000 0.943 396 R CB -0.501 29.805 30.300 0.011 0.000 0.846 396 R HN 0.453 nan 8.270 nan 0.000 0.431 397 D N -0.041 120.374 120.400 0.026 0.000 2.178 397 D HA -0.075 4.567 4.640 0.003 0.000 0.202 397 D C 1.944 178.250 176.300 0.011 0.000 0.974 397 D CA 1.184 55.220 54.000 0.060 0.000 0.841 397 D CB -0.193 40.730 40.800 0.203 0.000 0.953 397 D HN 0.181 nan 8.370 nan 0.000 0.478 398 S N 0.708 116.401 115.700 -0.011 0.000 2.399 398 S HA -0.155 4.317 4.470 0.003 0.000 0.231 398 S C 1.727 176.327 174.600 -0.000 0.000 1.022 398 S CA 0.706 58.895 58.200 -0.019 0.000 0.983 398 S CB -0.130 63.151 63.200 0.134 0.000 0.803 398 S HN 0.365 nan 8.310 nan 0.000 0.480 399 E N 1.313 121.525 120.200 0.020 0.000 2.113 399 E HA -0.281 4.070 4.350 0.003 0.000 0.210 399 E C 2.324 178.934 176.600 0.017 0.000 1.040 399 E CA 1.462 57.878 56.400 0.027 0.000 0.847 399 E CB -0.328 29.385 29.700 0.022 0.000 0.755 399 E HN 0.569 nan 8.360 nan 0.000 0.459 400 A N 0.869 123.687 122.820 -0.003 0.000 1.930 400 A HA -0.130 4.192 4.320 0.003 0.000 0.217 400 A C 2.209 179.786 177.584 -0.012 0.000 1.175 400 A CA 0.987 53.022 52.037 -0.003 0.000 0.627 400 A CB -0.538 18.457 19.000 -0.009 0.000 0.815 400 A HN 0.134 nan 8.150 nan 0.000 0.443 401 L N -0.669 120.501 121.223 -0.088 0.000 2.083 401 L HA -0.153 4.188 4.340 0.003 0.000 0.209 401 L C 2.422 179.348 176.870 0.094 0.000 1.083 401 L CA 0.990 55.762 54.840 -0.114 0.000 0.752 401 L CB -0.584 41.155 42.059 -0.533 0.000 0.899 401 L HN 0.361 nan 8.230 nan 0.000 0.433 402 L N -0.401 120.873 121.223 0.084 0.000 2.217 402 L HA -0.127 4.215 4.340 0.003 0.000 0.211 402 L C 2.014 178.945 176.870 0.101 0.000 1.107 402 L CA 0.997 55.918 54.840 0.135 0.000 0.783 402 L CB -0.315 41.822 42.059 0.130 0.000 0.919 402 L HN 0.205 nan 8.230 nan 0.000 0.442 403 K N 0.219 120.664 120.400 0.075 0.000 2.458 403 K HA 0.180 4.502 4.320 0.003 0.000 0.194 403 K C 0.859 177.497 176.600 0.063 0.000 1.024 403 K CA 0.296 56.618 56.287 0.058 0.000 1.108 403 K CB 0.371 32.897 32.500 0.043 0.000 0.846 403 K HN 0.172 nan 8.250 nan 0.000 0.518 404 A N -0.021 122.858 122.820 0.099 0.000 2.594 404 A HA 0.447 4.768 4.320 0.003 0.000 0.292 404 A C 0.861 178.497 177.584 0.086 0.000 1.026 404 A CA 0.164 52.265 52.037 0.107 0.000 0.983 404 A CB 0.289 19.376 19.000 0.145 0.000 1.233 404 A HN 0.275 nan 8.150 nan 0.000 0.519 405 G N -1.401 107.423 108.800 0.039 0.000 2.195 405 G HA2 -0.265 3.697 3.960 0.003 0.000 0.224 405 G HA3 -0.265 3.697 3.960 0.003 0.000 0.224 405 G C -0.046 174.758 174.900 -0.161 0.000 0.990 405 G CA 0.130 45.177 45.100 -0.089 0.000 0.639 405 G HN 0.453 nan 8.290 nan 0.000 0.514 406 Y N 0.774 121.108 120.300 0.056 0.000 2.320 406 Y HA 0.681 5.233 4.550 0.003 0.000 0.324 406 Y C 0.944 176.936 175.900 0.153 0.000 1.190 406 Y CA 0.445 58.609 58.100 0.108 0.000 1.215 406 Y CB 1.923 40.440 38.460 0.095 0.000 1.221 406 Y HN 0.074 nan 8.280 nan 0.000 0.486 407 T N 3.082 117.829 114.554 0.323 0.000 2.901 407 T HA 0.558 4.910 4.350 0.003 0.000 0.293 407 T C -0.819 174.006 174.700 0.209 0.000 1.084 407 T CA -0.740 61.502 62.100 0.236 0.000 1.008 407 T CB 0.678 69.618 68.868 0.120 0.000 1.170 407 T HN 0.424 nan 8.240 nan 0.000 0.509 408 I N 3.113 123.738 120.570 0.092 0.000 2.312 408 I HA 0.333 4.504 4.170 0.003 0.000 0.291 408 I C 1.151 177.168 176.117 -0.167 0.000 1.031 408 I CA -0.403 60.784 61.300 -0.190 0.000 1.293 408 I CB 1.427 39.263 38.000 -0.274 0.000 1.403 408 I HN 0.801 nan 8.210 nan 0.000 0.484 409 A N 7.292 129.953 122.820 -0.265 0.000 1.997 409 A HA 0.258 4.580 4.320 0.003 0.000 0.212 409 A C 0.920 178.270 177.584 -0.391 0.000 1.178 409 A CA 0.608 52.508 52.037 -0.229 0.000 0.698 409 A CB 0.314 19.187 19.000 -0.212 0.000 0.842 409 A HN 0.720 nan 8.150 nan 0.000 0.458 410 R N -2.189 117.933 120.500 -0.630 0.000 2.710 410 R HA 0.639 4.981 4.340 0.003 0.000 0.270 410 R C -2.215 173.687 176.300 -0.663 0.000 1.021 410 R CA -0.688 54.964 56.100 -0.746 0.000 0.889 410 R CB 1.716 31.256 30.300 -1.267 0.000 1.243 410 R HN 0.168 nan 8.270 nan 0.000 0.464 411 L N 1.106 122.106 121.223 -0.371 0.000 2.528 411 L HA 0.716 5.058 4.340 0.003 0.000 0.267 411 L C -1.662 175.256 176.870 0.081 0.000 0.961 411 L CA -0.140 54.606 54.840 -0.157 0.000 0.866 411 L CB 1.980 43.866 42.059 -0.288 0.000 1.248 411 L HN 0.844 nan 8.230 nan 0.000 0.404 412 A N 5.833 128.786 122.820 0.222 0.000 2.342 412 A HA 0.782 5.104 4.320 0.003 0.000 0.323 412 A C -0.627 176.980 177.584 0.039 0.000 1.125 412 A CA -0.595 51.535 52.037 0.155 0.000 0.785 412 A CB 1.364 20.461 19.000 0.163 0.000 1.221 412 A HN 0.718 nan 8.150 nan 0.000 0.463 413 M N 2.767 122.369 119.600 0.005 0.000 2.188 413 M HA 0.476 4.957 4.480 0.003 0.000 0.357 413 M C -1.893 174.375 176.300 -0.054 0.000 1.204 413 M CA -0.564 54.720 55.300 -0.028 0.000 1.095 413 M CB 0.366 32.944 32.600 -0.037 0.000 1.604 413 M HN 0.580 nan 8.290 nan 0.000 0.464 414 L N 4.523 125.704 121.223 -0.071 0.000 2.325 414 L HA 0.289 4.631 4.340 0.003 0.000 0.281 414 L C -0.024 176.752 176.870 -0.156 0.000 1.004 414 L CA -0.324 54.444 54.840 -0.119 0.000 0.823 414 L CB 1.312 43.295 42.059 -0.127 0.000 1.236 414 L HN 0.527 nan 8.230 nan 0.000 0.415 415 D N 2.719 122.997 120.400 -0.203 0.000 2.688 415 D HA 0.059 4.701 4.640 0.003 0.000 0.228 415 D C 1.032 177.079 176.300 -0.423 0.000 1.116 415 D CA 0.036 53.877 54.000 -0.265 0.000 1.023 415 D CB 0.610 41.251 40.800 -0.266 0.000 1.100 415 D HN 0.440 nan 8.370 nan 0.000 0.487 416 M N 1.149 120.448 119.600 -0.502 0.000 2.229 416 M HA 0.058 4.539 4.480 0.003 0.000 0.264 416 M C -0.133 175.488 176.300 -1.132 0.000 1.063 416 M CA 1.290 56.067 55.300 -0.871 0.000 1.114 416 M CB 0.085 31.993 32.600 -1.152 0.000 1.387 416 M HN 0.070 nan 8.290 nan 0.000 0.420 417 F N -0.142 119.621 119.950 -0.312 0.000 2.542 417 F HA 0.470 4.999 4.527 0.004 0.000 0.323 417 F C -2.361 173.256 175.800 -0.306 0.000 1.411 417 F CA -2.983 54.879 58.000 -0.231 0.000 1.124 417 F CB -0.583 38.416 39.000 -0.001 0.000 1.331 417 F HN -0.105 nan 8.300 nan 0.000 0.560 418 P HA -0.016 nan 4.420 nan 0.000 0.264 418 P C 0.244 177.335 177.300 -0.349 0.000 1.183 418 P CA 1.043 63.766 63.100 -0.628 0.000 0.763 418 P CB 0.202 31.326 31.700 -0.960 0.000 0.807 419 H N -1.956 117.065 119.070 -0.082 0.000 3.882 419 H HA -0.155 4.403 4.556 0.003 0.000 0.165 419 H C 0.675 176.079 175.328 0.126 0.000 0.896 419 H CA 1.544 57.592 56.048 -0.001 0.000 1.243 419 H CB -2.427 27.301 29.762 -0.057 0.000 0.958 419 H HN 0.569 nan 8.280 nan 0.000 0.400 420 T N -1.932 112.750 114.554 0.213 0.000 2.862 420 T HA 0.544 4.895 4.350 0.003 0.000 0.276 420 T C 1.627 176.404 174.700 0.128 0.000 0.974 420 T CA -0.070 62.157 62.100 0.212 0.000 0.966 420 T CB 1.889 70.906 68.868 0.248 0.000 1.072 420 T HN 0.308 nan 8.240 nan 0.000 0.538 421 G N -0.414 108.435 108.800 0.083 0.000 3.279 421 G HA2 0.168 4.130 3.960 0.003 0.000 0.230 421 G HA3 0.168 4.130 3.960 0.003 0.000 0.230 421 G C 0.348 175.042 174.900 -0.345 0.000 1.230 421 G CA -0.236 44.815 45.100 -0.081 0.000 0.891 421 G HN 0.775 nan 8.290 nan 0.000 0.518 422 H N -0.275 118.734 119.070 -0.102 0.000 2.533 422 H HA 0.579 5.136 4.556 0.003 0.000 0.343 422 H C -0.233 175.102 175.328 0.013 0.000 1.160 422 H CA -0.353 55.592 56.048 -0.171 0.000 1.218 422 H CB 2.235 31.697 29.762 -0.500 0.000 1.566 422 H HN 0.172 nan 8.280 nan 0.000 0.522 423 L N -0.733 120.565 121.223 0.125 0.000 2.393 423 L HA 0.643 4.984 4.340 0.003 0.000 0.260 423 L C -0.573 176.428 176.870 0.218 0.000 1.002 423 L CA -1.187 53.766 54.840 0.187 0.000 0.818 423 L CB 2.508 44.579 42.059 0.019 0.000 1.369 423 L HN 0.362 nan 8.230 nan 0.000 0.412 424 E N 1.250 121.570 120.200 0.201 0.000 2.231 424 E HA 0.711 5.063 4.350 0.003 0.000 0.277 424 E C -0.959 175.664 176.600 0.038 0.000 0.999 424 E CA -0.214 56.268 56.400 0.137 0.000 0.827 424 E CB 1.665 31.403 29.700 0.063 0.000 1.101 424 E HN 0.844 nan 8.360 nan 0.000 0.393 425 S N 3.358 119.078 115.700 0.033 0.000 2.661 425 S HA 0.714 5.186 4.470 0.003 0.000 0.285 425 S C -0.692 173.923 174.600 0.026 0.000 1.138 425 S CA -1.075 57.129 58.200 0.006 0.000 0.855 425 S CB 1.217 64.404 63.200 -0.022 0.000 1.136 425 S HN 0.586 nan 8.310 nan 0.000 0.484 426 M N 1.801 121.425 119.600 0.040 0.000 2.378 426 M HA 0.619 5.100 4.480 0.003 0.000 0.289 426 M C -2.307 174.119 176.300 0.210 0.000 1.136 426 M CA -0.542 54.816 55.300 0.098 0.000 0.917 426 M CB 2.033 34.620 32.600 -0.020 0.000 1.669 426 M HN 0.675 nan 8.290 nan 0.000 0.461 427 V N 4.502 124.519 119.914 0.172 0.000 2.638 427 V HA 0.527 4.649 4.120 0.003 0.000 0.306 427 V C -1.194 174.854 176.094 -0.078 0.000 1.052 427 V CA -0.835 61.407 62.300 -0.097 0.000 0.885 427 V CB 1.910 33.493 31.823 -0.399 0.000 0.999 427 V HN 0.769 nan 8.190 nan 0.000 0.424 428 L N 5.181 126.227 121.223 -0.296 0.000 2.272 428 L HA 0.690 5.032 4.340 0.003 0.000 0.289 428 L C -1.080 175.550 176.870 -0.400 0.000 1.032 428 L CA 0.288 55.003 54.840 -0.207 0.000 0.810 428 L CB 0.684 42.515 42.059 -0.379 0.000 1.205 428 L HN 0.458 nan 8.230 nan 0.000 0.422 429 F N 3.234 123.196 119.950 0.020 0.000 2.421 429 F HA 0.591 5.120 4.527 0.004 0.000 0.337 429 F C 0.717 176.607 175.800 0.149 0.000 1.105 429 F CA -0.193 57.852 58.000 0.074 0.000 1.049 429 F CB 1.952 40.988 39.000 0.061 0.000 1.139 429 F HN 0.462 nan 8.300 nan 0.000 0.479 430 S N 2.529 118.419 115.700 0.316 0.000 2.532 430 S HA 0.935 5.406 4.470 0.003 0.000 0.301 430 S C -0.737 173.974 174.600 0.185 0.000 1.083 430 S CA -0.384 57.955 58.200 0.230 0.000 1.025 430 S CB 1.444 64.692 63.200 0.079 0.000 1.056 430 S HN 0.714 nan 8.310 nan 0.000 0.494 431 R N 0.000 120.533 120.500 0.055 0.000 2.786 431 R HA 0.000 4.342 4.340 0.003 0.000 0.208 431 R CA 0.000 55.984 56.100 -0.194 0.000 0.921 431 R CB 0.000 29.984 30.300 -0.527 0.000 0.687 431 R HN 0.000 nan 8.270 nan 0.000 0.535