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 3min_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.614 174.600 0.024 0.000 1.055 2 S CA 0.000 58.212 58.200 0.021 0.000 1.107 2 S CB 0.000 63.200 63.200 0.000 0.000 0.593 3 Q N 0.920 120.725 119.800 0.007 0.000 2.379 3 Q HA 0.443 4.784 4.340 0.003 0.000 0.278 3 Q C -1.416 174.578 176.000 -0.009 0.000 1.068 3 Q CA -0.555 55.244 55.803 -0.006 0.000 0.816 3 Q CB 2.407 31.141 28.738 -0.007 0.000 1.387 3 Q HN 0.686 nan 8.270 nan 0.000 0.413 4 Q N 1.118 120.909 119.800 -0.016 0.000 2.314 4 Q HA 0.209 4.551 4.340 0.003 0.000 0.259 4 Q C 0.842 176.834 176.000 -0.013 0.000 0.951 4 Q CA -0.232 55.563 55.803 -0.013 0.000 0.909 4 Q CB 2.255 30.983 28.738 -0.016 0.000 1.236 4 Q HN 0.476 nan 8.270 nan 0.000 0.444 5 V N 3.788 123.696 119.914 -0.009 0.000 2.828 5 V HA -0.228 3.893 4.120 0.003 0.000 0.260 5 V C 1.296 177.385 176.094 -0.008 0.000 1.101 5 V CA 2.590 64.886 62.300 -0.007 0.000 1.123 5 V CB -0.201 31.619 31.823 -0.004 0.000 0.704 5 V HN 0.842 nan 8.190 nan 0.000 0.493 6 D N -1.078 119.316 120.400 -0.009 0.000 2.366 6 D HA -0.029 4.613 4.640 0.003 0.000 0.205 6 D C 1.158 177.450 176.300 -0.013 0.000 1.022 6 D CA 0.049 54.043 54.000 -0.009 0.000 0.868 6 D CB 0.278 41.074 40.800 -0.008 0.000 0.953 6 D HN 0.422 nan 8.370 nan 0.000 0.514 7 K N 1.252 121.641 120.400 -0.018 0.000 2.992 7 K HA 0.279 4.601 4.320 0.003 0.000 0.178 7 K C -0.930 175.650 176.600 -0.034 0.000 1.122 7 K CA -0.410 55.862 56.287 -0.025 0.000 0.926 7 K CB 0.774 33.258 32.500 -0.025 0.000 1.121 7 K HN -0.032 nan 8.250 nan 0.000 0.610 8 I N 3.207 123.757 120.570 -0.033 0.000 2.496 8 I HA 0.062 4.233 4.170 0.003 0.000 0.285 8 I C 0.159 176.238 176.117 -0.063 0.000 1.080 8 I CA 0.045 61.319 61.300 -0.042 0.000 1.404 8 I CB 0.750 38.731 38.000 -0.030 0.000 1.403 8 I HN 0.150 nan 8.210 nan 0.000 0.539 9 K N 6.237 126.581 120.400 -0.093 0.000 2.240 9 K HA 0.619 4.941 4.320 0.003 0.000 0.271 9 K C -0.155 176.349 176.600 -0.160 0.000 1.018 9 K CA -0.571 55.633 56.287 -0.138 0.000 0.874 9 K CB 1.655 34.043 32.500 -0.187 0.000 1.098 9 K HN 0.671 nan 8.250 nan 0.000 0.458 10 A N 1.757 124.503 122.820 -0.122 0.000 2.292 10 A HA 0.104 4.425 4.320 0.003 0.000 0.265 10 A C 1.610 179.086 177.584 -0.179 0.000 1.133 10 A CA 0.260 52.235 52.037 -0.105 0.000 0.807 10 A CB 0.035 19.022 19.000 -0.022 0.000 1.102 10 A HN 0.888 nan 8.150 nan 0.000 0.502 11 S N -1.095 114.538 115.700 -0.112 0.000 2.390 11 S HA -0.272 4.199 4.470 0.003 0.000 0.234 11 S C 0.665 175.233 174.600 -0.053 0.000 1.063 11 S CA 2.058 60.206 58.200 -0.086 0.000 1.108 11 S CB -0.752 62.602 63.200 0.257 0.000 0.975 11 S HN 1.022 nan 8.310 nan 0.000 0.442 12 Y N 4.780 125.059 120.300 -0.035 0.000 2.353 12 Y HA 0.514 5.065 4.550 0.002 0.000 0.340 12 Y C -2.143 173.722 175.900 -0.059 0.000 0.972 12 Y CA -2.468 55.618 58.100 -0.022 0.000 1.157 12 Y CB 1.855 40.326 38.460 0.019 0.000 1.157 12 Y HN 0.061 nan 8.280 nan 0.000 0.495 13 P HA -0.024 nan 4.420 nan 0.000 0.267 13 P C 1.346 178.404 177.300 -0.404 0.000 1.289 13 P CA 0.172 62.829 63.100 -0.740 0.000 0.866 13 P CB 0.518 31.758 31.700 -0.766 0.000 1.309 14 L N 0.491 121.448 121.223 -0.443 0.000 2.054 14 L HA -0.197 4.145 4.340 0.003 0.000 0.220 14 L C 1.682 178.204 176.870 -0.579 0.000 1.081 14 L CA 2.189 56.690 54.840 -0.565 0.000 0.780 14 L CB -1.519 39.992 42.059 -0.913 0.000 0.893 14 L HN -0.152 nan 8.230 nan 0.000 0.438 15 F N -1.132 118.663 119.950 -0.257 0.000 2.816 15 F HA 0.065 4.593 4.527 0.003 0.000 0.302 15 F C 1.858 177.646 175.800 -0.021 0.000 1.178 15 F CA 0.243 58.091 58.000 -0.253 0.000 1.421 15 F CB -0.694 38.167 39.000 -0.232 0.000 1.114 15 F HN 0.079 nan 8.300 nan 0.000 0.573 16 L N -1.275 119.995 121.223 0.079 0.000 2.416 16 L HA 0.050 4.392 4.340 0.003 0.000 0.216 16 L C 0.372 177.302 176.870 0.101 0.000 1.098 16 L CA 0.019 54.912 54.840 0.089 0.000 0.840 16 L CB -0.307 41.763 42.059 0.018 0.000 0.981 16 L HN -0.169 nan 8.230 nan 0.000 0.462 17 D N 0.793 121.259 120.400 0.111 0.000 2.525 17 D HA -0.103 4.538 4.640 0.003 0.000 0.235 17 D C 1.034 177.433 176.300 0.166 0.000 1.137 17 D CA 0.362 54.441 54.000 0.132 0.000 0.868 17 D CB 0.964 41.875 40.800 0.185 0.000 1.180 17 D HN -0.026 nan 8.370 nan 0.000 0.465 18 Q N 2.663 122.517 119.800 0.090 0.000 2.065 18 Q HA -0.273 4.069 4.340 0.003 0.000 0.213 18 Q C 1.229 177.263 176.000 0.057 0.000 1.012 18 Q CA 2.516 58.358 55.803 0.065 0.000 0.876 18 Q CB -0.266 28.492 28.738 0.033 0.000 0.954 18 Q HN 0.674 nan 8.270 nan 0.000 0.413 19 D N -1.490 118.915 120.400 0.008 0.000 2.182 19 D HA -0.205 4.436 4.640 0.003 0.000 0.201 19 D C 1.596 177.855 176.300 -0.068 0.000 0.986 19 D CA 1.478 55.435 54.000 -0.071 0.000 0.847 19 D CB -0.873 39.823 40.800 -0.174 0.000 0.942 19 D HN 0.449 nan 8.370 nan 0.000 0.467 20 Y N 0.666 121.021 120.300 0.091 0.000 2.286 20 Y HA 0.076 4.627 4.550 0.003 0.000 0.293 20 Y C 2.589 178.554 175.900 0.109 0.000 1.124 20 Y CA 0.818 59.002 58.100 0.141 0.000 1.178 20 Y CB -0.282 38.335 38.460 0.262 0.000 1.010 20 Y HN -0.089 nan 8.280 nan 0.000 0.536 21 K N 0.359 120.909 120.400 0.250 0.000 2.063 21 K HA -0.200 4.122 4.320 0.003 0.000 0.208 21 K C 1.499 178.164 176.600 0.109 0.000 1.048 21 K CA 1.980 58.362 56.287 0.159 0.000 0.928 21 K CB -0.117 32.455 32.500 0.121 0.000 0.713 21 K HN 0.197 nan 8.250 nan 0.000 0.442 22 D N 0.481 120.932 120.400 0.084 0.000 2.084 22 D HA -0.233 4.409 4.640 0.003 0.000 0.194 22 D C 1.830 178.164 176.300 0.057 0.000 0.990 22 D CA 1.354 55.385 54.000 0.052 0.000 0.826 22 D CB -0.234 40.583 40.800 0.028 0.000 0.971 22 D HN 0.299 nan 8.370 nan 0.000 0.453 23 M N 0.221 119.861 119.600 0.066 0.000 2.106 23 M HA -0.178 4.303 4.480 0.003 0.000 0.259 23 M C 1.971 178.329 176.300 0.097 0.000 1.068 23 M CA 1.332 56.678 55.300 0.076 0.000 1.100 23 M CB -0.029 32.618 32.600 0.079 0.000 1.351 23 M HN -0.015 nan 8.290 nan 0.000 0.404 24 L N -0.281 121.008 121.223 0.110 0.000 2.240 24 L HA -0.060 4.281 4.340 0.003 0.000 0.211 24 L C 2.700 179.608 176.870 0.063 0.000 1.106 24 L CA 0.726 55.618 54.840 0.086 0.000 0.793 24 L CB -0.751 41.357 42.059 0.082 0.000 0.927 24 L HN 0.364 nan 8.230 nan 0.000 0.446 25 A N -0.095 122.758 122.820 0.056 0.000 1.898 25 A HA -0.197 4.125 4.320 0.003 0.000 0.216 25 A C 2.387 179.977 177.584 0.010 0.000 1.181 25 A CA 1.463 53.518 52.037 0.031 0.000 0.620 25 A CB -0.289 18.727 19.000 0.028 0.000 0.819 25 A HN 0.215 nan 8.150 nan 0.000 0.442 26 K N -0.350 120.061 120.400 0.018 0.000 2.026 26 K HA -0.168 4.154 4.320 0.003 0.000 0.208 26 K C 2.251 178.840 176.600 -0.019 0.000 1.048 26 K CA 1.605 57.885 56.287 -0.010 0.000 0.929 26 K CB -0.220 32.298 32.500 0.030 0.000 0.713 26 K HN 0.506 nan 8.250 nan 0.000 0.439 27 K N 1.296 121.759 120.400 0.105 0.000 2.059 27 K HA -0.248 4.074 4.320 0.003 0.000 0.212 27 K C 2.228 178.908 176.600 0.132 0.000 1.050 27 K CA 1.574 58.001 56.287 0.234 0.000 0.927 27 K CB -0.122 32.489 32.500 0.186 0.000 0.714 27 K HN 0.038 nan 8.250 nan 0.000 0.447 28 R N 0.650 121.179 120.500 0.048 0.000 2.082 28 R HA -0.164 4.178 4.340 0.003 0.000 0.228 28 R C 1.741 178.008 176.300 -0.055 0.000 1.140 28 R CA 2.272 58.382 56.100 0.018 0.000 0.920 28 R CB -0.530 29.779 30.300 0.016 0.000 0.828 28 R HN 0.257 nan 8.270 nan 0.000 0.430 29 D N -0.566 119.780 120.400 -0.091 0.000 2.158 29 D HA -0.149 4.493 4.640 0.003 0.000 0.197 29 D C 1.647 177.801 176.300 -0.243 0.000 0.995 29 D CA 1.655 55.576 54.000 -0.132 0.000 0.846 29 D CB -0.437 40.295 40.800 -0.114 0.000 0.941 29 D HN 0.590 nan 8.370 nan 0.000 0.456 30 G N -0.157 108.358 108.800 -0.476 0.000 2.499 30 G HA2 -0.145 3.817 3.960 0.003 0.000 0.213 30 G HA3 -0.145 3.817 3.960 0.003 0.000 0.213 30 G C 1.221 175.768 174.900 -0.588 0.000 1.230 30 G CA 0.229 44.842 45.100 -0.813 0.000 0.813 30 G HN 0.187 nan 8.290 nan 0.000 0.542 31 F N 0.662 120.609 119.950 -0.004 0.000 2.446 31 F HA 0.315 4.843 4.527 0.003 0.000 0.292 31 F C 2.557 178.353 175.800 -0.007 0.000 1.096 31 F CA 0.431 58.427 58.000 -0.006 0.000 1.438 31 F CB -0.305 38.693 39.000 -0.004 0.000 1.107 31 F HN 0.132 nan 8.300 nan 0.000 0.546 32 E N 0.473 120.745 120.200 0.120 0.000 2.274 32 E HA -0.134 4.218 4.350 0.003 0.000 0.194 32 E C 0.030 176.652 176.600 0.037 0.000 0.996 32 E CA 0.646 57.093 56.400 0.079 0.000 0.840 32 E CB -0.239 29.498 29.700 0.062 0.000 0.772 32 E HN 0.364 nan 8.360 nan 0.000 0.491 33 E N 1.044 121.245 120.200 0.002 0.000 2.228 33 E HA -0.238 4.113 4.350 0.003 0.000 0.213 33 E C -0.216 176.364 176.600 -0.034 0.000 1.282 33 E CA 0.308 56.690 56.400 -0.031 0.000 0.707 33 E CB -1.178 28.503 29.700 -0.032 0.000 1.150 33 E HN 0.162 nan 8.360 nan 0.000 0.362 34 K N 0.839 121.237 120.400 -0.002 0.000 2.270 34 K HA 0.163 4.485 4.320 0.003 0.000 0.276 34 K C -0.265 176.366 176.600 0.052 0.000 1.023 34 K CA -0.378 55.939 56.287 0.051 0.000 0.955 34 K CB 0.471 33.007 32.500 0.060 0.000 0.975 34 K HN 0.016 nan 8.250 nan 0.000 0.471 35 Y N 4.078 124.383 120.300 0.009 0.000 2.702 35 Y HA -0.004 4.548 4.550 0.003 0.000 0.336 35 Y C -1.497 174.410 175.900 0.011 0.000 1.235 35 Y CA -1.059 57.048 58.100 0.011 0.000 1.492 35 Y CB 0.180 38.650 38.460 0.018 0.000 1.308 35 Y HN 0.557 nan 8.280 nan 0.000 0.589 36 P HA -0.052 nan 4.420 nan 0.000 0.268 36 P C -0.088 177.273 177.300 0.103 0.000 1.205 36 P CA -0.169 62.989 63.100 0.097 0.000 0.771 36 P CB 1.252 32.991 31.700 0.064 0.000 0.858 37 Q N 2.618 122.462 119.800 0.073 0.000 2.156 37 Q HA -0.246 4.096 4.340 0.003 0.000 0.211 37 Q C 1.528 177.568 176.000 0.067 0.000 0.995 37 Q CA 2.575 58.418 55.803 0.066 0.000 0.877 37 Q CB -0.634 28.134 28.738 0.050 0.000 0.920 37 Q HN 0.556 nan 8.270 nan 0.000 0.416 38 D N -1.043 119.394 120.400 0.061 0.000 2.178 38 D HA -0.198 4.444 4.640 0.003 0.000 0.201 38 D C 1.623 177.962 176.300 0.065 0.000 0.980 38 D CA 1.342 55.376 54.000 0.056 0.000 0.842 38 D CB -0.217 40.610 40.800 0.044 0.000 0.948 38 D HN 0.153 nan 8.370 nan 0.000 0.472 39 K N 1.226 121.674 120.400 0.079 0.000 2.062 39 K HA 0.001 4.322 4.320 0.003 0.000 0.205 39 K C 2.316 178.952 176.600 0.061 0.000 1.051 39 K CA 0.558 56.892 56.287 0.077 0.000 0.941 39 K CB -0.447 32.135 32.500 0.137 0.000 0.719 39 K HN 0.152 nan 8.250 nan 0.000 0.440 40 I N 1.219 121.832 120.570 0.073 0.000 2.118 40 I HA -0.343 3.829 4.170 0.003 0.000 0.241 40 I C 1.599 177.792 176.117 0.127 0.000 1.070 40 I CA 1.702 63.047 61.300 0.074 0.000 1.327 40 I CB -0.421 37.623 38.000 0.073 0.000 1.034 40 I HN 0.254 nan 8.210 nan 0.000 0.405 41 D N 0.368 120.840 120.400 0.120 0.000 2.117 41 D HA -0.232 4.409 4.640 0.003 0.000 0.197 41 D C 2.003 178.399 176.300 0.160 0.000 0.987 41 D CA 1.263 55.353 54.000 0.151 0.000 0.829 41 D CB -0.315 40.541 40.800 0.092 0.000 0.961 41 D HN 0.461 nan 8.370 nan 0.000 0.460 42 E N 0.652 120.914 120.200 0.103 0.000 2.051 42 E HA -0.143 4.209 4.350 0.003 0.000 0.192 42 E C 2.134 178.799 176.600 0.109 0.000 0.991 42 E CA 0.843 57.291 56.400 0.079 0.000 0.799 42 E CB 0.191 29.917 29.700 0.044 0.000 0.748 42 E HN 0.012 nan 8.360 nan 0.000 0.449 43 V N 0.950 120.936 119.914 0.120 0.000 2.358 43 V HA -0.221 3.901 4.120 0.003 0.000 0.246 43 V C 2.137 178.331 176.094 0.166 0.000 1.047 43 V CA 1.829 64.238 62.300 0.182 0.000 1.035 43 V CB -0.708 31.184 31.823 0.116 0.000 0.658 43 V HN 0.341 nan 8.190 nan 0.000 0.452 44 F N 1.123 121.079 119.950 0.009 0.000 2.095 44 F HA -0.215 4.314 4.527 0.002 0.000 0.298 44 F C 2.570 178.260 175.800 -0.184 0.000 1.104 44 F CA 1.849 59.809 58.000 -0.066 0.000 1.232 44 F CB -0.305 38.708 39.000 0.022 0.000 0.987 44 F HN 0.103 nan 8.300 nan 0.000 0.475 45 Q N -0.801 118.896 119.800 -0.172 0.000 2.124 45 Q HA -0.249 4.092 4.340 0.003 0.000 0.202 45 Q C 2.038 177.842 176.000 -0.327 0.000 0.977 45 Q CA 1.731 57.339 55.803 -0.326 0.000 0.850 45 Q CB -1.272 27.404 28.738 -0.103 0.000 0.901 45 Q HN 0.728 nan 8.270 nan 0.000 0.429 46 W N 2.163 123.276 121.300 -0.311 0.000 2.363 46 W HA -0.179 4.483 4.660 0.003 0.000 0.296 46 W C 2.083 178.337 176.519 -0.441 0.000 1.212 46 W CA 2.608 59.796 57.345 -0.262 0.000 1.260 46 W CB -0.476 28.903 29.460 -0.135 0.000 1.131 46 W HN 0.228 nan 8.180 nan 0.000 0.530 47 T N -2.832 111.143 114.554 -0.965 0.000 3.072 47 T HA -0.141 4.211 4.350 0.003 0.000 0.266 47 T C 1.607 175.558 174.700 -1.248 0.000 1.127 47 T CA 1.653 62.770 62.100 -1.639 0.000 1.107 47 T CB -1.027 67.084 68.868 -1.261 0.000 0.910 47 T HN 0.271 nan 8.240 nan 0.000 0.513 48 T N 0.312 114.162 114.554 -1.172 0.000 3.081 48 T HA 0.095 4.446 4.350 0.003 0.000 0.255 48 T C 1.096 175.410 174.700 -0.642 0.000 1.113 48 T CA 0.385 61.730 62.100 -1.258 0.000 1.082 48 T CB -0.782 67.117 68.868 -1.614 0.000 0.939 48 T HN 0.646 nan 8.240 nan 0.000 0.506 49 T N -0.801 113.455 114.554 -0.497 0.000 2.849 49 T HA 0.326 4.678 4.350 0.003 0.000 0.284 49 T C 1.040 175.642 174.700 -0.164 0.000 1.004 49 T CA -0.806 61.132 62.100 -0.271 0.000 1.021 49 T CB 1.617 70.382 68.868 -0.172 0.000 1.013 49 T HN 0.161 nan 8.240 nan 0.000 0.527 50 K N 0.132 120.472 120.400 -0.101 0.000 2.209 50 K HA -0.155 4.166 4.320 0.003 0.000 0.204 50 K C 1.716 178.292 176.600 -0.040 0.000 1.048 50 K CA 1.370 57.616 56.287 -0.067 0.000 0.940 50 K CB -0.083 32.386 32.500 -0.051 0.000 0.729 50 K HN 0.640 nan 8.250 nan 0.000 0.451 51 E N -0.066 120.129 120.200 -0.009 0.000 2.015 51 E HA -0.195 4.156 4.350 0.003 0.000 0.191 51 E C 1.664 178.285 176.600 0.035 0.000 0.991 51 E CA 1.365 57.803 56.400 0.063 0.000 0.802 51 E CB -0.584 29.226 29.700 0.183 0.000 0.759 51 E HN 0.365 nan 8.360 nan 0.000 0.447 52 Y N 1.502 121.633 120.300 -0.281 0.000 2.165 52 Y HA -0.311 4.240 4.550 0.003 0.000 0.286 52 Y C 2.503 178.265 175.900 -0.230 0.000 1.155 52 Y CA 2.320 60.120 58.100 -0.498 0.000 1.164 52 Y CB -0.164 37.702 38.460 -0.991 0.000 0.978 52 Y HN 0.111 nan 8.280 nan 0.000 0.513 53 Q N 0.173 119.950 119.800 -0.039 0.000 2.061 53 Q HA -0.268 4.073 4.340 0.003 0.000 0.204 53 Q C 2.015 178.032 176.000 0.028 0.000 0.984 53 Q CA 2.304 58.112 55.803 0.008 0.000 0.846 53 Q CB -0.175 28.541 28.738 -0.037 0.000 0.902 53 Q HN 0.645 nan 8.270 nan 0.000 0.421 54 E N 0.139 120.325 120.200 -0.023 0.000 2.077 54 E HA -0.187 4.165 4.350 0.003 0.000 0.193 54 E C 2.088 178.711 176.600 0.038 0.000 0.989 54 E CA 1.328 57.732 56.400 0.007 0.000 0.800 54 E CB -0.073 29.625 29.700 -0.005 0.000 0.746 54 E HN 0.399 nan 8.360 nan 0.000 0.452 55 L N 1.185 122.389 121.223 -0.031 0.000 2.056 55 L HA -0.179 4.163 4.340 0.003 0.000 0.207 55 L C 2.506 179.325 176.870 -0.086 0.000 1.078 55 L CA 0.791 55.600 54.840 -0.051 0.000 0.749 55 L CB -0.590 41.424 42.059 -0.076 0.000 0.901 55 L HN 0.211 nan 8.230 nan 0.000 0.433 56 N N 0.955 119.533 118.700 -0.204 0.000 2.069 56 N HA -0.250 4.492 4.740 0.003 0.000 0.191 56 N C 1.667 177.221 175.510 0.074 0.000 1.031 56 N CA 1.808 54.755 53.050 -0.171 0.000 0.852 56 N CB -0.259 38.092 38.487 -0.226 0.000 1.018 56 N HN 0.183 nan 8.380 nan 0.000 0.423 57 F N 1.038 121.031 119.950 0.071 0.000 2.771 57 F HA 0.114 4.642 4.527 0.002 0.000 0.299 57 F C 2.150 177.996 175.800 0.075 0.000 1.177 57 F CA 0.486 58.562 58.000 0.127 0.000 1.450 57 F CB 0.094 39.091 39.000 -0.005 0.000 1.114 57 F HN 0.183 nan 8.300 nan 0.000 0.587 58 Q N -0.608 119.290 119.800 0.163 0.000 2.392 58 Q HA 0.090 4.432 4.340 0.003 0.000 0.203 58 Q C 0.453 176.487 176.000 0.057 0.000 0.917 58 Q CA -0.130 55.730 55.803 0.095 0.000 0.939 58 Q CB 0.253 29.029 28.738 0.063 0.000 1.063 58 Q HN 0.199 nan 8.270 nan 0.000 0.516 59 R N 1.102 121.629 120.500 0.044 0.000 2.480 59 R HA -0.074 4.268 4.340 0.003 0.000 0.303 59 R C 0.448 176.763 176.300 0.025 0.000 0.985 59 R CA 0.541 56.645 56.100 0.006 0.000 1.051 59 R CB 0.325 30.594 30.300 -0.051 0.000 0.935 59 R HN 0.317 nan 8.270 nan 0.000 0.410 60 E N 1.575 121.783 120.200 0.014 0.000 2.330 60 E HA 0.019 4.371 4.350 0.003 0.000 0.200 60 E C 1.175 177.782 176.600 0.012 0.000 0.922 60 E CA 0.596 57.008 56.400 0.019 0.000 0.935 60 E CB 0.506 30.218 29.700 0.019 0.000 0.917 60 E HN 0.695 nan 8.360 nan 0.000 0.491 61 A N 0.453 123.271 122.820 -0.003 0.000 2.192 61 A HA 0.215 4.536 4.320 0.003 0.000 0.208 61 A C 0.567 178.138 177.584 -0.022 0.000 1.220 61 A CA -0.218 51.814 52.037 -0.008 0.000 0.900 61 A CB 0.378 19.371 19.000 -0.012 0.000 0.937 61 A HN 0.147 nan 8.150 nan 0.000 0.487 62 L N 0.776 121.974 121.223 -0.043 0.000 2.295 62 L HA 0.627 4.969 4.340 0.003 0.000 0.285 62 L C -0.722 176.099 176.870 -0.082 0.000 1.035 62 L CA 0.304 55.101 54.840 -0.071 0.000 0.806 62 L CB 1.828 43.827 42.059 -0.101 0.000 1.214 62 L HN 0.025 nan 8.230 nan 0.000 0.426 63 T N 4.334 118.844 114.554 -0.074 0.000 2.823 63 T HA 0.694 5.046 4.350 0.003 0.000 0.279 63 T C -0.971 173.653 174.700 -0.127 0.000 0.998 63 T CA -0.393 61.667 62.100 -0.066 0.000 0.994 63 T CB 1.516 70.401 68.868 0.028 0.000 0.960 63 T HN 0.392 nan 8.240 nan 0.000 0.448 64 V N 4.158 123.973 119.914 -0.167 0.000 2.577 64 V HA 0.412 4.534 4.120 0.003 0.000 0.303 64 V C -0.373 175.641 176.094 -0.133 0.000 1.042 64 V CA -1.235 60.933 62.300 -0.219 0.000 0.872 64 V CB 1.486 33.076 31.823 -0.389 0.000 0.998 64 V HN 0.978 nan 8.190 nan 0.000 0.423 65 N N 2.774 121.385 118.700 -0.149 0.000 2.641 65 N HA -0.114 4.628 4.740 0.003 0.000 0.267 65 N C -2.209 173.222 175.510 -0.131 0.000 1.087 65 N CA 0.512 53.470 53.050 -0.154 0.000 0.731 65 N CB -0.878 37.572 38.487 -0.061 0.000 0.886 65 N HN 0.550 nan 8.380 nan 0.000 0.547 66 P HA 0.205 nan 4.420 nan 0.000 0.270 66 P C -0.389 176.940 177.300 0.048 0.000 1.223 66 P CA -0.158 62.998 63.100 0.093 0.000 0.785 66 P CB 0.804 32.541 31.700 0.060 0.000 0.923 67 A N 1.948 124.918 122.820 0.250 0.000 3.105 67 A HA 0.444 4.766 4.320 0.003 0.000 0.297 67 A C 0.105 177.817 177.584 0.213 0.000 0.977 67 A CA -0.322 51.847 52.037 0.219 0.000 1.020 67 A CB -0.327 18.799 19.000 0.210 0.000 1.098 67 A HN 0.610 nan 8.150 nan 0.000 0.497 68 K N -1.406 119.052 120.400 0.095 0.000 2.625 68 K HA 0.806 5.127 4.320 0.003 0.000 0.284 68 K C -0.645 175.960 176.600 0.008 0.000 0.984 68 K CA -0.463 55.883 56.287 0.097 0.000 0.865 68 K CB 1.104 33.581 32.500 -0.037 0.000 1.468 68 K HN 0.538 nan 8.250 nan 0.000 0.407 69 A N 0.359 123.204 122.820 0.041 0.000 2.464 69 A HA 0.806 5.128 4.320 0.003 0.000 0.268 69 A C -0.404 177.223 177.584 0.072 0.000 1.244 69 A CA -0.443 51.562 52.037 -0.052 0.000 0.871 69 A CB 0.633 19.496 19.000 -0.229 0.000 1.400 69 A HN 1.151 nan 8.150 nan 0.000 0.455 70 C N -1.433 117.886 119.300 0.031 0.000 2.351 70 C HA 0.534 4.996 4.460 0.003 0.000 0.359 70 C C 1.444 176.451 174.990 0.028 0.000 1.193 70 C CA -0.379 58.663 59.018 0.039 0.000 2.270 70 C CB 0.516 28.298 27.740 0.070 0.000 2.369 70 C HN 0.929 nan 8.230 nan 0.000 0.553 71 Q N 1.790 121.586 119.800 -0.007 0.000 2.082 71 Q HA -0.169 4.173 4.340 0.003 0.000 0.211 71 Q C -0.287 175.693 176.000 -0.033 0.000 1.002 71 Q CA 2.700 58.496 55.803 -0.013 0.000 0.868 71 Q CB -1.330 27.384 28.738 -0.041 0.000 0.931 71 Q HN 0.755 nan 8.270 nan 0.000 0.414 72 P HA -0.176 nan 4.420 nan 0.000 0.219 72 P C 1.476 178.466 177.300 -0.516 0.000 1.146 72 P CA 0.983 63.933 63.100 -0.250 0.000 0.808 72 P CB -0.118 31.486 31.700 -0.160 0.000 0.779 73 L N 0.320 121.187 121.223 -0.594 0.000 2.079 73 L HA -0.041 4.301 4.340 0.003 0.000 0.210 73 L C 2.482 179.524 176.870 0.287 0.000 1.081 73 L CA 2.347 56.989 54.840 -0.331 0.000 0.752 73 L CB -1.431 40.561 42.059 -0.112 0.000 0.896 73 L HN -0.043 nan 8.230 nan 0.000 0.433 74 G N -1.456 107.567 108.800 0.373 0.000 2.394 74 G HA2 -0.167 3.794 3.960 0.003 0.000 0.215 74 G HA3 -0.167 3.794 3.960 0.003 0.000 0.215 74 G C 1.607 176.754 174.900 0.411 0.000 1.165 74 G CA 0.581 46.091 45.100 0.684 0.000 0.784 74 G HN 0.584 nan 8.290 nan 0.000 0.535 75 A N 0.292 123.216 122.820 0.173 0.000 1.902 75 A HA 0.054 4.376 4.320 0.003 0.000 0.217 75 A C 2.595 180.196 177.584 0.028 0.000 1.181 75 A CA 1.822 53.881 52.037 0.037 0.000 0.623 75 A CB -0.648 18.360 19.000 0.013 0.000 0.818 75 A HN 0.243 nan 8.150 nan 0.000 0.443 76 V N -0.353 119.612 119.914 0.085 0.000 2.295 76 V HA -0.243 3.878 4.120 0.003 0.000 0.246 76 V C 2.496 178.661 176.094 0.118 0.000 1.049 76 V CA 2.026 64.408 62.300 0.136 0.000 1.024 76 V CB -0.785 31.170 31.823 0.221 0.000 0.648 76 V HN 0.596 nan 8.190 nan 0.000 0.447 77 L N -0.143 121.181 121.223 0.167 0.000 2.046 77 L HA -0.179 4.163 4.340 0.003 0.000 0.208 77 L C 2.472 179.342 176.870 0.001 0.000 1.077 77 L CA 2.290 57.123 54.840 -0.012 0.000 0.747 77 L CB -0.901 41.129 42.059 -0.049 0.000 0.896 77 L HN 0.483 nan 8.230 nan 0.000 0.432 78 C N -0.591 118.599 119.300 -0.183 0.000 2.413 78 C HA -0.152 4.310 4.460 0.003 0.000 0.276 78 C C 3.015 177.967 174.990 -0.063 0.000 1.236 78 C CA 0.995 59.677 59.018 -0.560 0.000 1.735 78 C CB -1.373 25.660 27.740 -1.180 0.000 2.031 78 C HN 0.696 nan 8.230 nan 0.000 0.474 79 A N 0.204 123.023 122.820 -0.001 0.000 1.908 79 A HA -0.081 4.240 4.320 0.003 0.000 0.218 79 A C 2.135 179.826 177.584 0.178 0.000 1.181 79 A CA 1.801 53.913 52.037 0.125 0.000 0.627 79 A CB -0.807 18.224 19.000 0.051 0.000 0.818 79 A HN 0.692 nan 8.150 nan 0.000 0.445 80 L N -0.490 120.773 121.223 0.067 0.000 2.349 80 L HA -0.128 4.214 4.340 0.003 0.000 0.220 80 L C 2.395 179.239 176.870 -0.045 0.000 1.130 80 L CA 0.664 55.515 54.840 0.018 0.000 0.791 80 L CB -0.410 41.606 42.059 -0.072 0.000 0.918 80 L HN 0.505 nan 8.230 nan 0.000 0.444 81 G N -1.004 107.742 108.800 -0.091 0.000 2.920 81 G HA2 0.000 3.962 3.960 0.003 0.000 0.208 81 G HA3 0.000 3.962 3.960 0.003 0.000 0.208 81 G C 0.225 174.844 174.900 -0.468 0.000 1.159 81 G CA -0.234 44.680 45.100 -0.310 0.000 0.784 81 G HN 0.087 nan 8.290 nan 0.000 0.535 82 F N -0.119 119.789 119.950 -0.069 0.000 2.458 82 F HA 0.372 4.901 4.527 0.003 0.000 0.330 82 F C 0.609 176.358 175.800 -0.085 0.000 1.082 82 F CA -1.390 56.564 58.000 -0.077 0.000 0.995 82 F CB 1.416 40.364 39.000 -0.086 0.000 1.170 82 F HN -0.079 nan 8.300 nan 0.000 0.478 83 E N 3.067 123.306 120.200 0.065 0.000 2.493 83 E HA -0.057 4.294 4.350 0.003 0.000 0.255 83 E C -0.003 176.549 176.600 -0.081 0.000 0.999 83 E CA 0.133 56.520 56.400 -0.021 0.000 0.934 83 E CB 0.210 29.884 29.700 -0.042 0.000 0.940 83 E HN 0.538 nan 8.360 nan 0.000 0.473 84 K N 2.430 122.735 120.400 -0.157 0.000 3.078 84 K HA -0.183 4.139 4.320 0.003 0.000 0.261 84 K C -0.856 175.411 176.600 -0.554 0.000 0.947 84 K CA 0.915 56.872 56.287 -0.549 0.000 0.702 84 K CB -1.419 30.786 32.500 -0.492 0.000 1.318 84 K HN 0.509 nan 8.250 nan 0.000 0.473 85 T N 0.994 115.448 114.554 -0.166 0.000 2.829 85 T HA 0.404 4.755 4.350 0.003 0.000 0.282 85 T C -0.044 174.772 174.700 0.194 0.000 0.990 85 T CA -0.648 61.447 62.100 -0.008 0.000 1.028 85 T CB 1.192 70.100 68.868 0.067 0.000 0.951 85 T HN 0.161 nan 8.240 nan 0.000 0.460 86 M N 5.620 125.361 119.600 0.236 0.000 2.113 86 M HA 0.426 4.907 4.480 0.003 0.000 0.352 86 M C -2.671 173.764 176.300 0.225 0.000 1.170 86 M CA -2.616 52.870 55.300 0.310 0.000 1.053 86 M CB 0.837 33.649 32.600 0.355 0.000 1.601 86 M HN 0.144 nan 8.290 nan 0.000 0.459 87 P HA 0.103 nan 4.420 nan 0.000 0.268 87 P C -2.017 175.443 177.300 0.266 0.000 1.204 87 P CA 0.262 63.476 63.100 0.191 0.000 0.768 87 P CB 0.128 31.927 31.700 0.167 0.000 0.842 88 Y N 3.419 123.783 120.300 0.107 0.000 2.354 88 Y HA 0.450 5.001 4.550 0.003 0.000 0.330 88 Y C -1.461 174.518 175.900 0.132 0.000 1.011 88 Y CA -1.022 57.151 58.100 0.121 0.000 1.099 88 Y CB 1.388 39.917 38.460 0.116 0.000 1.179 88 Y HN 0.054 nan 8.280 nan 0.000 0.442 89 V N 6.506 126.558 119.914 0.231 0.000 2.328 89 V HA 0.181 4.303 4.120 0.003 0.000 0.278 89 V C -0.519 175.685 176.094 0.183 0.000 1.021 89 V CA -0.738 61.715 62.300 0.255 0.000 0.838 89 V CB 0.721 32.716 31.823 0.287 0.000 0.999 89 V HN 0.812 nan 8.190 nan 0.000 0.447 90 H N 4.027 123.234 119.070 0.228 0.000 2.800 90 H HA 0.642 5.199 4.556 0.003 0.000 0.291 90 H C 0.438 175.837 175.328 0.118 0.000 1.076 90 H CA 1.275 57.445 56.048 0.203 0.000 1.452 90 H CB 0.523 30.443 29.762 0.264 0.000 1.461 90 H HN 0.947 nan 8.280 nan 0.000 0.488 91 G N 2.477 111.120 108.800 -0.261 0.000 2.366 91 G HA2 0.019 3.980 3.960 0.003 0.000 0.190 91 G HA3 0.019 3.980 3.960 0.003 0.000 0.190 91 G C -1.164 173.660 174.900 -0.127 0.000 1.299 91 G CA -0.387 44.600 45.100 -0.188 0.000 1.056 91 G HN 0.784 nan 8.290 nan 0.000 0.468 92 S N 0.573 116.229 115.700 -0.073 0.000 2.525 92 S HA 0.421 4.892 4.470 0.003 0.000 0.278 92 S C 1.332 175.869 174.600 -0.105 0.000 1.234 92 S CA 0.442 58.593 58.200 -0.082 0.000 1.058 92 S CB 1.655 64.817 63.200 -0.063 0.000 0.983 92 S HN 1.037 nan 8.310 nan 0.000 0.495 93 Q N 2.676 122.404 119.800 -0.119 0.000 2.297 93 Q HA -0.087 4.255 4.340 0.003 0.000 0.208 93 Q C 1.777 177.652 176.000 -0.208 0.000 0.981 93 Q CA 1.559 57.276 55.803 -0.143 0.000 0.876 93 Q CB -0.968 27.697 28.738 -0.121 0.000 0.921 93 Q HN 0.859 nan 8.270 nan 0.000 0.446 94 G N 1.315 109.976 108.800 -0.233 0.000 2.469 94 G HA2 -0.312 3.650 3.960 0.003 0.000 0.219 94 G HA3 -0.312 3.650 3.960 0.003 0.000 0.219 94 G C 1.436 176.054 174.900 -0.470 0.000 1.150 94 G CA 1.099 45.982 45.100 -0.361 0.000 0.763 94 G HN 0.522 nan 8.290 nan 0.000 0.561 95 C N -0.247 118.817 119.300 -0.392 0.000 2.413 95 C HA -0.013 4.449 4.460 0.003 0.000 0.276 95 C C 3.029 177.350 174.990 -1.115 0.000 1.236 95 C CA 0.663 59.270 59.018 -0.684 0.000 1.735 95 C CB -1.089 26.387 27.740 -0.440 0.000 2.031 95 C HN 0.284 nan 8.230 nan 0.000 0.474 96 V N 1.432 121.015 119.914 -0.552 0.000 2.343 96 V HA -0.217 3.905 4.120 0.003 0.000 0.247 96 V C 2.759 178.759 176.094 -0.157 0.000 1.051 96 V CA 2.175 64.340 62.300 -0.225 0.000 1.036 96 V CB -1.259 30.537 31.823 -0.044 0.000 0.654 96 V HN 0.606 nan 8.190 nan 0.000 0.451 97 A N -0.941 121.751 122.820 -0.213 0.000 1.908 97 A HA -0.257 4.064 4.320 0.003 0.000 0.218 97 A C 2.119 179.682 177.584 -0.035 0.000 1.181 97 A CA 2.095 54.044 52.037 -0.147 0.000 0.627 97 A CB -0.756 18.088 19.000 -0.260 0.000 0.818 97 A HN 0.549 nan 8.150 nan 0.000 0.445 98 Y N -1.114 119.063 120.300 -0.205 0.000 2.200 98 Y HA -0.106 4.446 4.550 0.003 0.000 0.290 98 Y C 2.196 178.087 175.900 -0.014 0.000 1.137 98 Y CA 0.509 58.517 58.100 -0.152 0.000 1.163 98 Y CB -0.994 37.310 38.460 -0.261 0.000 0.988 98 Y HN 0.351 nan 8.280 nan 0.000 0.518 99 F N -0.223 119.844 119.950 0.195 0.000 2.146 99 F HA -0.129 4.399 4.527 0.002 0.000 0.298 99 F C 2.348 178.274 175.800 0.210 0.000 1.096 99 F CA 0.933 59.011 58.000 0.130 0.000 1.275 99 F CB -1.115 37.979 39.000 0.157 0.000 1.008 99 F HN -0.063 nan 8.300 nan 0.000 0.480 100 R N -0.081 120.654 120.500 0.393 0.000 2.066 100 R HA -0.097 4.244 4.340 0.003 0.000 0.232 100 R C 2.377 178.860 176.300 0.305 0.000 1.131 100 R CA 1.600 57.907 56.100 0.345 0.000 0.955 100 R CB -0.772 29.654 30.300 0.210 0.000 0.851 100 R HN 0.145 nan 8.270 nan 0.000 0.432 101 S N 0.250 116.091 115.700 0.236 0.000 2.370 101 S HA -0.199 4.272 4.470 0.003 0.000 0.226 101 S C 1.640 176.357 174.600 0.195 0.000 1.033 101 S CA 1.266 59.574 58.200 0.179 0.000 1.011 101 S CB -0.405 62.893 63.200 0.164 0.000 0.852 101 S HN 0.325 nan 8.310 nan 0.000 0.457 102 Y N 0.978 121.343 120.300 0.108 0.000 2.145 102 Y HA -0.129 4.423 4.550 0.003 0.000 0.286 102 Y C 1.870 177.946 175.900 0.293 0.000 1.145 102 Y CA 1.239 59.415 58.100 0.126 0.000 1.148 102 Y CB -0.399 38.098 38.460 0.061 0.000 0.981 102 Y HN 0.185 nan 8.280 nan 0.000 0.507 103 F N 0.151 120.398 119.950 0.494 0.000 2.206 103 F HA -0.163 4.366 4.527 0.002 0.000 0.298 103 F C 2.181 178.210 175.800 0.382 0.000 1.090 103 F CA 0.920 59.214 58.000 0.491 0.000 1.323 103 F CB -1.035 38.286 39.000 0.535 0.000 1.028 103 F HN 0.080 nan 8.300 nan 0.000 0.492 104 N N 0.524 119.482 118.700 0.430 0.000 2.036 104 N HA -0.211 4.531 4.740 0.003 0.000 0.195 104 N C 2.039 177.620 175.510 0.117 0.000 1.037 104 N CA 1.359 54.547 53.050 0.231 0.000 0.855 104 N CB -0.500 38.062 38.487 0.124 0.000 1.033 104 N HN 0.162 nan 8.380 nan 0.000 0.423 105 R N -0.263 120.240 120.500 0.004 0.000 2.096 105 R HA -0.106 4.236 4.340 0.003 0.000 0.235 105 R C 2.136 178.454 176.300 0.030 0.000 1.127 105 R CA 1.215 57.202 56.100 -0.189 0.000 0.968 105 R CB -0.388 29.434 30.300 -0.797 0.000 0.861 105 R HN 0.441 nan 8.270 nan 0.000 0.440 106 H N -1.463 117.673 119.070 0.110 0.000 2.363 106 H HA -0.011 4.547 4.556 0.003 0.000 0.301 106 H C 0.972 176.117 175.328 -0.304 0.000 1.074 106 H CA 1.696 57.698 56.048 -0.077 0.000 1.354 106 H CB 0.079 29.713 29.762 -0.213 0.000 1.397 106 H HN 0.116 nan 8.280 nan 0.000 0.516 107 F N 0.021 119.896 119.950 -0.126 0.000 2.698 107 F HA 0.259 4.788 4.527 0.002 0.000 0.295 107 F C 0.743 176.241 175.800 -0.502 0.000 1.124 107 F CA 0.302 57.969 58.000 -0.555 0.000 1.426 107 F CB 0.138 38.998 39.000 -0.233 0.000 1.120 107 F HN -0.056 nan 8.300 nan 0.000 0.583 108 R N 1.302 121.763 120.500 -0.065 0.000 3.264 108 R HA -0.170 4.171 4.340 0.003 0.000 0.251 108 R C -0.861 175.465 176.300 0.043 0.000 0.971 108 R CA 0.442 56.520 56.100 -0.037 0.000 0.658 108 R CB -1.771 28.476 30.300 -0.088 0.000 1.095 108 R HN 0.223 nan 8.270 nan 0.000 0.443 109 E N -0.739 119.510 120.200 0.081 0.000 2.429 109 E HA 0.391 4.742 4.350 0.003 0.000 0.276 109 E C -2.548 174.108 176.600 0.093 0.000 0.953 109 E CA -2.267 54.182 56.400 0.083 0.000 0.787 109 E CB 1.656 31.384 29.700 0.047 0.000 1.307 109 E HN -0.151 nan 8.360 nan 0.000 0.458 110 P HA 0.122 nan 4.420 nan 0.000 0.269 110 P C -0.803 176.564 177.300 0.112 0.000 1.215 110 P CA -0.189 62.975 63.100 0.108 0.000 0.780 110 P CB 0.505 32.330 31.700 0.208 0.000 0.898 111 V N 2.251 122.236 119.914 0.119 0.000 2.488 111 V HA 0.223 4.344 4.120 0.003 0.000 0.293 111 V C -0.320 175.841 176.094 0.111 0.000 1.027 111 V CA -0.353 62.029 62.300 0.136 0.000 0.862 111 V CB 1.677 33.656 31.823 0.260 0.000 1.008 111 V HN 0.434 nan 8.190 nan 0.000 0.428 112 S N 3.416 119.157 115.700 0.068 0.000 2.462 112 S HA 0.722 5.193 4.470 0.003 0.000 0.294 112 S C -0.496 174.132 174.600 0.046 0.000 1.144 112 S CA -0.438 57.770 58.200 0.012 0.000 1.088 112 S CB 1.350 64.512 63.200 -0.063 0.000 1.009 112 S HN 0.928 nan 8.310 nan 0.000 0.484 113 C N 3.843 123.161 119.300 0.031 0.000 3.241 113 C HA 0.766 5.228 4.460 0.003 0.000 0.348 113 C C -0.923 174.079 174.990 0.021 0.000 1.180 113 C CA -0.449 58.622 59.018 0.088 0.000 1.273 113 C CB 0.255 28.111 27.740 0.193 0.000 1.620 113 C HN 0.858 nan 8.230 nan 0.000 0.510 114 V N 2.095 122.020 119.914 0.019 0.000 3.155 114 V HA 0.989 5.110 4.120 0.003 0.000 0.313 114 V C -0.307 175.699 176.094 -0.146 0.000 1.162 114 V CA -0.267 61.995 62.300 -0.064 0.000 1.048 114 V CB 1.555 33.343 31.823 -0.058 0.000 1.092 114 V HN 1.176 nan 8.190 nan 0.000 0.447 115 S N -0.418 115.149 115.700 -0.223 0.000 2.634 115 S HA 0.599 5.070 4.470 0.003 0.000 0.296 115 S C -0.451 173.913 174.600 -0.395 0.000 1.104 115 S CA 0.063 58.095 58.200 -0.281 0.000 0.920 115 S CB 1.910 65.021 63.200 -0.149 0.000 1.111 115 S HN 1.087 nan 8.310 nan 0.000 0.493 116 D N 0.531 120.708 120.400 -0.371 0.000 2.388 116 D HA 0.233 4.875 4.640 0.003 0.000 0.221 116 D C 0.016 176.250 176.300 -0.110 0.000 1.133 116 D CA -0.187 53.691 54.000 -0.205 0.000 0.831 116 D CB -0.279 40.505 40.800 -0.026 0.000 0.962 116 D HN 0.376 nan 8.370 nan 0.000 0.502 117 S N -0.057 115.570 115.700 -0.121 0.000 3.524 117 S HA -0.246 4.225 4.470 0.003 0.000 0.377 117 S C 0.243 174.800 174.600 -0.071 0.000 0.949 117 S CA 0.127 58.274 58.200 -0.088 0.000 1.264 117 S CB -1.747 61.413 63.200 -0.066 0.000 0.918 117 S HN 0.510 nan 8.310 nan 0.000 0.517 118 M N 1.899 121.444 119.600 -0.092 0.000 2.238 118 M HA 0.181 4.662 4.480 0.003 0.000 0.350 118 M C 1.168 177.440 176.300 -0.045 0.000 1.321 118 M CA 0.459 55.717 55.300 -0.069 0.000 1.097 118 M CB 0.503 33.037 32.600 -0.110 0.000 1.713 118 M HN 0.605 nan 8.290 nan 0.000 0.455 119 T N -1.035 113.506 114.554 -0.021 0.000 2.804 119 T HA 0.380 4.731 4.350 0.003 0.000 0.272 119 T C 0.790 175.488 174.700 -0.002 0.000 0.986 119 T CA -0.905 61.186 62.100 -0.015 0.000 0.999 119 T CB 0.802 69.665 68.868 -0.009 0.000 1.307 119 T HN 0.624 nan 8.240 nan 0.000 0.586 120 E N 0.799 120.997 120.200 -0.002 0.000 2.114 120 E HA -0.202 4.150 4.350 0.003 0.000 0.199 120 E C 1.661 178.270 176.600 0.015 0.000 1.008 120 E CA 2.029 58.429 56.400 -0.000 0.000 0.810 120 E CB -0.389 29.312 29.700 0.000 0.000 0.739 120 E HN 0.600 nan 8.360 nan 0.000 0.456 121 D N 0.473 120.901 120.400 0.046 0.000 2.106 121 D HA -0.198 4.443 4.640 0.003 0.000 0.191 121 D C 1.904 178.282 176.300 0.131 0.000 0.997 121 D CA 1.682 55.749 54.000 0.112 0.000 0.834 121 D CB -0.549 40.322 40.800 0.117 0.000 0.956 121 D HN 0.275 nan 8.370 nan 0.000 0.448 122 A N 0.847 123.720 122.820 0.088 0.000 2.070 122 A HA 0.045 4.366 4.320 0.003 0.000 0.220 122 A C 2.259 179.873 177.584 0.049 0.000 1.159 122 A CA 1.745 53.837 52.037 0.092 0.000 0.656 122 A CB -0.503 18.533 19.000 0.059 0.000 0.800 122 A HN 0.242 nan 8.150 nan 0.000 0.453 123 A N -0.686 122.135 122.820 0.001 0.000 2.015 123 A HA 0.096 4.417 4.320 0.003 0.000 0.219 123 A C 2.017 179.531 177.584 -0.117 0.000 1.163 123 A CA 1.696 53.713 52.037 -0.033 0.000 0.646 123 A CB -0.408 18.570 19.000 -0.037 0.000 0.806 123 A HN 0.391 nan 8.150 nan 0.000 0.448 124 V N -2.500 117.268 119.914 -0.243 0.000 2.825 124 V HA 0.046 4.168 4.120 0.003 0.000 0.246 124 V C 1.356 176.978 176.094 -0.786 0.000 1.068 124 V CA 1.056 63.008 62.300 -0.580 0.000 1.088 124 V CB -0.581 30.727 31.823 -0.858 0.000 0.733 124 V HN 0.517 nan 8.190 nan 0.000 0.468 125 F N 0.497 120.468 119.950 0.036 0.000 2.661 125 F HA 0.648 5.177 4.527 0.003 0.000 0.306 125 F C 1.254 177.092 175.800 0.064 0.000 1.094 125 F CA -0.009 58.014 58.000 0.038 0.000 1.254 125 F CB 0.146 39.156 39.000 0.017 0.000 1.040 125 F HN 0.211 nan 8.300 nan 0.000 0.562 126 G N 0.230 109.142 108.800 0.186 0.000 2.730 126 G HA2 0.075 4.036 3.960 0.003 0.000 0.686 126 G HA3 0.075 4.036 3.960 0.003 0.000 0.686 126 G C 0.526 175.565 174.900 0.231 0.000 1.343 126 G CA -0.572 44.679 45.100 0.252 0.000 0.826 126 G HN 0.585 nan 8.290 nan 0.000 0.582 127 G N -0.635 108.389 108.800 0.374 0.000 3.820 127 G HA2 0.420 4.381 3.960 0.003 0.000 0.293 127 G HA3 0.420 4.381 3.960 0.003 0.000 0.293 127 G C 0.971 175.964 174.900 0.154 0.000 1.152 127 G CA 1.262 46.542 45.100 0.300 0.000 0.921 127 G HN 0.881 nan 8.290 nan 0.000 0.544 128 Q N 0.527 120.087 119.800 -0.399 0.000 2.020 128 Q HA -0.158 4.183 4.340 0.003 0.000 0.202 128 Q C 2.368 178.127 176.000 -0.402 0.000 0.982 128 Q CA 1.891 57.139 55.803 -0.924 0.000 0.838 128 Q CB -0.229 27.855 28.738 -1.091 0.000 0.899 128 Q HN 0.368 nan 8.270 nan 0.000 0.423 129 Q N 0.236 119.879 119.800 -0.260 0.000 2.181 129 Q HA -0.106 4.236 4.340 0.003 0.000 0.205 129 Q C 1.568 177.470 176.000 -0.163 0.000 0.980 129 Q CA 1.897 57.567 55.803 -0.221 0.000 0.862 129 Q CB -0.305 28.355 28.738 -0.130 0.000 0.905 129 Q HN 0.541 nan 8.270 nan 0.000 0.429 130 N N -0.704 117.962 118.700 -0.056 0.000 2.120 130 N HA -0.172 4.570 4.740 0.003 0.000 0.188 130 N C 1.611 177.178 175.510 0.095 0.000 1.024 130 N CA 1.579 54.644 53.050 0.025 0.000 0.852 130 N CB -0.177 38.348 38.487 0.064 0.000 1.003 130 N HN 0.315 nan 8.380 nan 0.000 0.424 131 M N 1.787 121.464 119.600 0.129 0.000 2.132 131 M HA -0.076 4.406 4.480 0.003 0.000 0.263 131 M C 1.799 178.059 176.300 -0.067 0.000 1.065 131 M CA 1.493 56.883 55.300 0.151 0.000 1.122 131 M CB 0.035 32.687 32.600 0.086 0.000 1.365 131 M HN -0.077 nan 8.290 nan 0.000 0.411 132 K N 0.010 120.220 120.400 -0.317 0.000 1.969 132 K HA -0.174 4.148 4.320 0.003 0.000 0.216 132 K C 1.720 177.977 176.600 -0.571 0.000 1.048 132 K CA 1.829 57.667 56.287 -0.748 0.000 0.948 132 K CB -0.566 31.113 32.500 -1.368 0.000 0.726 132 K HN 0.342 nan 8.250 nan 0.000 0.442 133 D N -0.003 120.171 120.400 -0.376 0.000 2.178 133 D HA -0.108 4.534 4.640 0.003 0.000 0.201 133 D C 1.929 178.258 176.300 0.048 0.000 0.980 133 D CA 1.265 55.227 54.000 -0.063 0.000 0.842 133 D CB -0.467 40.323 40.800 -0.017 0.000 0.948 133 D HN 0.405 nan 8.370 nan 0.000 0.472 134 G N 1.109 109.962 108.800 0.087 0.000 2.453 134 G HA2 -0.211 3.750 3.960 0.003 0.000 0.215 134 G HA3 -0.211 3.750 3.960 0.003 0.000 0.215 134 G C 1.821 176.929 174.900 0.347 0.000 1.201 134 G CA 0.374 45.616 45.100 0.236 0.000 0.784 134 G HN 0.241 nan 8.290 nan 0.000 0.545 135 L N 0.057 121.436 121.223 0.261 0.000 2.012 135 L HA -0.177 4.165 4.340 0.003 0.000 0.210 135 L C 3.028 179.945 176.870 0.077 0.000 1.073 135 L CA 1.829 56.742 54.840 0.122 0.000 0.748 135 L CB -0.531 41.508 42.059 -0.034 0.000 0.891 135 L HN 0.355 nan 8.230 nan 0.000 0.431 136 Q N 0.105 119.959 119.800 0.090 0.000 2.061 136 Q HA -0.234 4.107 4.340 0.003 0.000 0.204 136 Q C 2.057 178.093 176.000 0.061 0.000 0.984 136 Q CA 1.846 57.700 55.803 0.084 0.000 0.846 136 Q CB 0.041 28.912 28.738 0.221 0.000 0.902 136 Q HN 0.469 nan 8.270 nan 0.000 0.421 137 N N 0.225 118.982 118.700 0.096 0.000 2.120 137 N HA -0.160 4.582 4.740 0.003 0.000 0.188 137 N C 1.918 177.479 175.510 0.086 0.000 1.024 137 N CA 1.307 54.402 53.050 0.075 0.000 0.852 137 N CB -0.876 37.662 38.487 0.084 0.000 1.003 137 N HN 0.376 nan 8.380 nan 0.000 0.424 138 C N 1.574 120.980 119.300 0.176 0.000 2.432 138 C HA -0.015 4.446 4.460 0.003 0.000 0.277 138 C C 2.646 177.755 174.990 0.199 0.000 1.249 138 C CA 0.857 60.045 59.018 0.284 0.000 1.725 138 C CB -0.857 27.119 27.740 0.394 0.000 2.028 138 C HN 0.409 nan 8.230 nan 0.000 0.477 139 K N 0.417 120.858 120.400 0.067 0.000 2.032 139 K HA -0.127 4.194 4.320 0.003 0.000 0.209 139 K C 2.184 178.764 176.600 -0.033 0.000 1.048 139 K CA 1.799 58.049 56.287 -0.063 0.000 0.927 139 K CB -0.407 31.881 32.500 -0.354 0.000 0.712 139 K HN 0.548 nan 8.250 nan 0.000 0.441 140 A N 0.264 123.059 122.820 -0.042 0.000 1.898 140 A HA -0.102 4.220 4.320 0.003 0.000 0.216 140 A C 2.133 179.675 177.584 -0.069 0.000 1.181 140 A CA 2.038 54.048 52.037 -0.046 0.000 0.620 140 A CB -0.745 18.229 19.000 -0.043 0.000 0.819 140 A HN 0.433 nan 8.150 nan 0.000 0.442 141 T N -1.758 112.717 114.554 -0.132 0.000 2.851 141 T HA -0.026 4.325 4.350 0.003 0.000 0.262 141 T C 1.378 175.797 174.700 -0.468 0.000 1.043 141 T CA 1.481 63.368 62.100 -0.356 0.000 1.140 141 T CB -0.300 68.241 68.868 -0.545 0.000 0.872 141 T HN 0.535 nan 8.240 nan 0.000 0.446 142 Y N 0.788 121.163 120.300 0.126 0.000 2.449 142 Y HA 0.364 4.915 4.550 0.003 0.000 0.254 142 Y C 0.742 176.801 175.900 0.266 0.000 1.140 142 Y CA -0.774 57.434 58.100 0.181 0.000 1.272 142 Y CB 0.017 38.600 38.460 0.204 0.000 1.114 142 Y HN 0.018 nan 8.280 nan 0.000 0.525 143 K N 0.560 121.122 120.400 0.271 0.000 3.278 143 K HA -0.175 4.147 4.320 0.003 0.000 0.270 143 K C -2.778 173.967 176.600 0.243 0.000 0.955 143 K CA 0.261 56.677 56.287 0.214 0.000 0.723 143 K CB -1.499 31.097 32.500 0.160 0.000 1.382 143 K HN 0.302 nan 8.250 nan 0.000 0.461 144 P HA 0.088 nan 4.420 nan 0.000 0.274 144 P C 0.015 177.404 177.300 0.148 0.000 1.237 144 P CA -0.108 63.011 63.100 0.032 0.000 0.793 144 P CB 0.674 32.489 31.700 0.191 0.000 0.977 145 D N -0.169 120.198 120.400 -0.056 0.000 2.333 145 D HA 0.122 4.763 4.640 0.003 0.000 0.208 145 D C 0.768 176.891 176.300 -0.295 0.000 0.984 145 D CA 1.168 55.150 54.000 -0.031 0.000 0.873 145 D CB 0.242 40.978 40.800 -0.108 0.000 0.935 145 D HN 0.344 nan 8.370 nan 0.000 0.521 146 M N 0.277 119.745 119.600 -0.220 0.000 2.470 146 M HA 0.397 4.878 4.480 0.003 0.000 0.285 146 M C -2.006 174.257 176.300 -0.062 0.000 1.213 146 M CA -0.547 54.526 55.300 -0.379 0.000 0.901 146 M CB 2.682 35.124 32.600 -0.263 0.000 1.718 146 M HN -0.330 nan 8.290 nan 0.000 0.469 147 I N 3.080 123.636 120.570 -0.024 0.000 2.418 147 I HA 0.620 4.791 4.170 0.003 0.000 0.287 147 I C -0.640 175.427 176.117 -0.082 0.000 1.008 147 I CA -0.736 60.614 61.300 0.083 0.000 1.104 147 I CB 2.025 40.137 38.000 0.187 0.000 1.264 147 I HN 0.802 nan 8.210 nan 0.000 0.438 148 A N 6.896 129.689 122.820 -0.046 0.000 2.273 148 A HA 0.722 5.044 4.320 0.003 0.000 0.315 148 A C -0.704 176.869 177.584 -0.019 0.000 1.256 148 A CA -0.470 51.498 52.037 -0.116 0.000 0.851 148 A CB 0.997 19.913 19.000 -0.140 0.000 1.172 148 A HN 0.432 nan 8.150 nan 0.000 0.508 149 V N 3.147 123.034 119.914 -0.044 0.000 2.427 149 V HA 0.604 4.726 4.120 0.003 0.000 0.286 149 V C 0.528 176.664 176.094 0.070 0.000 1.034 149 V CA 0.119 62.447 62.300 0.046 0.000 0.893 149 V CB 1.161 32.946 31.823 -0.062 0.000 0.982 149 V HN 1.122 nan 8.190 nan 0.000 0.452 150 S N 3.102 118.882 115.700 0.132 0.000 2.874 150 S HA 0.908 5.379 4.470 0.003 0.000 0.318 150 S C -0.292 174.393 174.600 0.142 0.000 1.109 150 S CA -0.509 57.748 58.200 0.094 0.000 0.878 150 S CB 2.230 65.474 63.200 0.073 0.000 1.307 150 S HN 0.818 nan 8.310 nan 0.000 0.592 151 T N -0.925 113.702 114.554 0.121 0.000 2.883 151 T HA 0.735 5.087 4.350 0.003 0.000 0.301 151 T C -0.257 174.537 174.700 0.156 0.000 1.158 151 T CA -0.578 61.614 62.100 0.153 0.000 1.007 151 T CB 1.140 70.076 68.868 0.112 0.000 1.186 151 T HN 1.012 nan 8.240 nan 0.000 0.499 152 T N -1.933 112.715 114.554 0.157 0.000 2.936 152 T HA 0.355 4.707 4.350 0.003 0.000 0.282 152 T C 1.902 176.685 174.700 0.138 0.000 1.003 152 T CA -0.300 61.897 62.100 0.161 0.000 1.005 152 T CB 0.561 69.505 68.868 0.127 0.000 1.097 152 T HN 1.142 nan 8.240 nan 0.000 0.532 153 C N 1.250 120.642 119.300 0.153 0.000 2.411 153 C HA -0.040 4.422 4.460 0.003 0.000 0.279 153 C C 2.608 177.724 174.990 0.209 0.000 1.288 153 C CA 0.712 59.865 59.018 0.225 0.000 1.764 153 C CB -1.853 26.054 27.740 0.277 0.000 1.974 153 C HN 0.892 nan 8.230 nan 0.000 0.498 154 M N 2.297 121.973 119.600 0.127 0.000 2.065 154 M HA -0.103 4.379 4.480 0.003 0.000 0.259 154 M C 2.575 178.936 176.300 0.101 0.000 1.069 154 M CA 2.479 57.832 55.300 0.088 0.000 1.110 154 M CB -0.526 32.098 32.600 0.039 0.000 1.328 154 M HN 0.475 nan 8.290 nan 0.000 0.405 155 A N 0.250 123.130 122.820 0.101 0.000 1.933 155 A HA -0.158 4.163 4.320 0.003 0.000 0.218 155 A C 1.875 179.566 177.584 0.179 0.000 1.175 155 A CA 1.658 53.778 52.037 0.138 0.000 0.628 155 A CB -0.669 18.436 19.000 0.176 0.000 0.814 155 A HN 0.595 nan 8.150 nan 0.000 0.444 156 E N -0.110 120.213 120.200 0.205 0.000 2.031 156 E HA -0.118 4.233 4.350 0.003 0.000 0.193 156 E C 2.252 179.007 176.600 0.259 0.000 0.994 156 E CA 1.366 57.920 56.400 0.257 0.000 0.800 156 E CB -0.765 29.099 29.700 0.273 0.000 0.752 156 E HN 0.354 nan 8.360 nan 0.000 0.447 157 V N 2.480 122.544 119.914 0.250 0.000 2.332 157 V HA -0.229 3.892 4.120 0.003 0.000 0.248 157 V C 2.448 178.591 176.094 0.081 0.000 1.055 157 V CA 1.863 64.241 62.300 0.131 0.000 1.038 157 V CB -0.667 31.199 31.823 0.072 0.000 0.651 157 V HN 0.359 nan 8.190 nan 0.000 0.450 158 I N -1.234 119.387 120.570 0.086 0.000 3.564 158 I HA 0.370 4.542 4.170 0.003 0.000 0.294 158 I C 1.344 177.504 176.117 0.071 0.000 1.289 158 I CA 0.812 62.150 61.300 0.062 0.000 1.325 158 I CB -0.672 37.364 38.000 0.060 0.000 1.039 158 I HN 0.357 nan 8.210 nan 0.000 0.474 159 G N 1.869 110.720 108.800 0.086 0.000 2.225 159 G HA2 -0.250 3.712 3.960 0.003 0.000 0.264 159 G HA3 -0.250 3.712 3.960 0.003 0.000 0.264 159 G C -0.490 174.415 174.900 0.009 0.000 1.060 159 G CA 0.224 45.358 45.100 0.057 0.000 0.833 159 G HN 0.538 nan 8.290 nan 0.000 0.498 160 D N 0.600 121.000 120.400 0.000 0.000 2.450 160 D HA 0.310 4.952 4.640 0.003 0.000 0.247 160 D C 0.422 176.437 176.300 -0.475 0.000 1.162 160 D CA 0.118 53.956 54.000 -0.271 0.000 0.879 160 D CB 0.889 41.623 40.800 -0.111 0.000 1.163 160 D HN 0.209 nan 8.370 nan 0.000 0.472 161 D N 3.488 123.417 120.400 -0.785 0.000 2.435 161 D HA 0.018 4.660 4.640 0.003 0.000 0.230 161 D C 1.388 177.209 176.300 -0.800 0.000 1.215 161 D CA -0.193 53.487 54.000 -0.533 0.000 0.947 161 D CB 0.257 40.870 40.800 -0.311 0.000 1.048 161 D HN 0.352 nan 8.370 nan 0.000 0.512 162 L N 3.243 124.084 121.223 -0.637 0.000 2.034 162 L HA -0.307 4.035 4.340 0.003 0.000 0.217 162 L C 2.116 178.487 176.870 -0.833 0.000 1.077 162 L CA 1.403 55.784 54.840 -0.766 0.000 0.769 162 L CB -0.497 41.059 42.059 -0.839 0.000 0.890 162 L HN 0.405 nan 8.230 nan 0.000 0.435 163 N N -0.145 117.995 118.700 -0.934 0.000 2.104 163 N HA -0.176 4.565 4.740 0.003 0.000 0.190 163 N C 1.717 177.045 175.510 -0.302 0.000 1.024 163 N CA 1.678 54.260 53.050 -0.780 0.000 0.853 163 N CB -0.069 38.189 38.487 -0.382 0.000 1.008 163 N HN 0.322 nan 8.380 nan 0.000 0.424 164 A N -0.512 122.205 122.820 -0.171 0.000 1.898 164 A HA -0.006 4.316 4.320 0.003 0.000 0.216 164 A C 1.903 179.578 177.584 0.153 0.000 1.181 164 A CA 0.918 52.968 52.037 0.022 0.000 0.620 164 A CB -0.903 18.154 19.000 0.094 0.000 0.819 164 A HN 0.315 nan 8.150 nan 0.000 0.442 165 F N 0.138 119.976 119.950 -0.187 0.000 2.102 165 F HA -0.114 4.415 4.527 0.003 0.000 0.298 165 F C 2.202 177.890 175.800 -0.186 0.000 1.105 165 F CA 0.581 58.472 58.000 -0.182 0.000 1.239 165 F CB -0.969 37.885 39.000 -0.243 0.000 0.991 165 F HN 0.118 nan 8.300 nan 0.000 0.474 166 I N -0.064 120.480 120.570 -0.044 0.000 2.226 166 I HA -0.328 3.844 4.170 0.003 0.000 0.245 166 I C 2.003 178.109 176.117 -0.019 0.000 1.100 166 I CA 1.463 62.715 61.300 -0.079 0.000 1.374 166 I CB -0.577 37.330 38.000 -0.156 0.000 1.057 166 I HN 0.181 nan 8.210 nan 0.000 0.413 167 N N 0.680 119.371 118.700 -0.015 0.000 2.166 167 N HA -0.177 4.564 4.740 0.003 0.000 0.186 167 N C 1.447 176.977 175.510 0.034 0.000 1.019 167 N CA 1.362 54.422 53.050 0.018 0.000 0.856 167 N CB -0.204 38.292 38.487 0.015 0.000 0.993 167 N HN 0.423 nan 8.380 nan 0.000 0.426 168 N N -0.107 118.611 118.700 0.030 0.000 2.331 168 N HA -0.008 4.734 4.740 0.003 0.000 0.180 168 N C 1.402 176.945 175.510 0.056 0.000 1.019 168 N CA 0.525 53.594 53.050 0.031 0.000 0.881 168 N CB 0.167 38.651 38.487 -0.006 0.000 0.972 168 N HN 0.093 nan 8.380 nan 0.000 0.435 169 S N 0.930 116.649 115.700 0.032 0.000 2.383 169 S HA -0.058 4.413 4.470 0.003 0.000 0.227 169 S C 1.645 176.353 174.600 0.181 0.000 1.026 169 S CA 0.949 59.207 58.200 0.098 0.000 0.981 169 S CB -0.020 63.176 63.200 -0.007 0.000 0.818 169 S HN 0.293 nan 8.310 nan 0.000 0.472 170 K N 1.101 121.564 120.400 0.104 0.000 2.001 170 K HA -0.031 4.291 4.320 0.003 0.000 0.208 170 K C 2.232 178.881 176.600 0.082 0.000 1.048 170 K CA 1.125 57.468 56.287 0.094 0.000 0.932 170 K CB -0.139 32.407 32.500 0.077 0.000 0.715 170 K HN 0.018 nan 8.250 nan 0.000 0.437 171 K N 1.347 121.790 120.400 0.071 0.000 2.020 171 K HA -0.178 4.144 4.320 0.003 0.000 0.212 171 K C 1.738 178.373 176.600 0.058 0.000 1.050 171 K CA 1.591 57.911 56.287 0.054 0.000 0.929 171 K CB -0.155 32.374 32.500 0.047 0.000 0.714 171 K HN 0.024 nan 8.250 nan 0.000 0.443 172 E N -0.999 119.268 120.200 0.113 0.000 2.526 172 E HA 0.061 4.412 4.350 0.003 0.000 0.198 172 E C 0.680 177.261 176.600 -0.031 0.000 1.091 172 E CA 0.725 57.192 56.400 0.112 0.000 0.880 172 E CB -0.024 29.877 29.700 0.335 0.000 0.873 172 E HN 0.464 nan 8.360 nan 0.000 0.527 173 G N -0.646 108.153 108.800 -0.002 0.000 2.162 173 G HA2 -0.344 3.617 3.960 0.003 0.000 0.260 173 G HA3 -0.344 3.617 3.960 0.003 0.000 0.260 173 G C 0.748 175.564 174.900 -0.141 0.000 0.976 173 G CA 0.407 45.450 45.100 -0.096 0.000 0.655 173 G HN 0.376 nan 8.290 nan 0.000 0.533 174 F N 0.711 120.644 119.950 -0.028 0.000 2.234 174 F HA 0.278 4.806 4.527 0.003 0.000 0.299 174 F C 1.748 177.512 175.800 -0.060 0.000 1.087 174 F CA 1.546 59.524 58.000 -0.037 0.000 1.340 174 F CB 0.029 39.011 39.000 -0.030 0.000 1.031 174 F HN 0.434 nan 8.300 nan 0.000 0.500 175 I N -3.811 116.832 120.570 0.121 0.000 2.769 175 I HA 0.486 4.658 4.170 0.003 0.000 0.298 175 I C -2.883 173.262 176.117 0.046 0.000 1.128 175 I CA -2.870 58.437 61.300 0.011 0.000 1.031 175 I CB 1.594 39.587 38.000 -0.011 0.000 1.235 175 I HN -0.405 nan 8.210 nan 0.000 0.423 176 P HA 0.066 nan 4.420 nan 0.000 0.265 176 P C -0.343 177.032 177.300 0.126 0.000 1.187 176 P CA 0.247 63.399 63.100 0.088 0.000 0.766 176 P CB 0.534 32.304 31.700 0.117 0.000 0.820 177 D N 1.311 121.765 120.400 0.089 0.000 2.190 177 D HA -0.176 4.465 4.640 0.003 0.000 0.200 177 D C 0.885 177.244 176.300 0.098 0.000 0.992 177 D CA 1.327 55.376 54.000 0.082 0.000 0.854 177 D CB 0.061 40.892 40.800 0.051 0.000 0.936 177 D HN 0.567 nan 8.370 nan 0.000 0.462 178 E N -0.833 119.433 120.200 0.110 0.000 2.465 178 E HA 0.056 4.408 4.350 0.003 0.000 0.195 178 E C -0.312 176.374 176.600 0.143 0.000 1.028 178 E CA -0.451 56.011 56.400 0.102 0.000 0.899 178 E CB 0.310 30.052 29.700 0.071 0.000 1.032 178 E HN 0.231 nan 8.360 nan 0.000 0.468 179 F N 2.808 122.787 119.950 0.048 0.000 2.456 179 F HA 0.228 4.757 4.527 0.003 0.000 0.358 179 F C -2.318 173.500 175.800 0.029 0.000 1.095 179 F CA -2.931 55.091 58.000 0.036 0.000 1.216 179 F CB 0.759 39.770 39.000 0.017 0.000 1.125 179 F HN -0.183 nan 8.300 nan 0.000 0.549 180 P HA 0.118 nan 4.420 nan 0.000 0.269 180 P C -1.049 175.880 177.300 -0.617 0.000 1.252 180 P CA 0.132 62.914 63.100 -0.530 0.000 0.780 180 P CB 0.668 32.124 31.700 -0.407 0.000 0.829 181 V N 6.391 125.963 119.914 -0.571 0.000 2.320 181 V HA 0.229 4.351 4.120 0.003 0.000 0.257 181 V C -1.885 173.844 176.094 -0.609 0.000 0.996 181 V CA -1.784 60.270 62.300 -0.410 0.000 0.928 181 V CB 0.834 32.598 31.823 -0.099 0.000 1.169 181 V HN 0.483 nan 8.190 nan 0.000 0.475 182 P HA 0.358 nan 4.420 nan 0.000 0.272 182 P C -0.842 176.309 177.300 -0.248 0.000 1.230 182 P CA 0.171 62.872 63.100 -0.665 0.000 0.788 182 P CB 1.161 32.404 31.700 -0.763 0.000 0.949 183 F N -1.635 118.156 119.950 -0.265 0.000 2.685 183 F HA 0.868 5.396 4.527 0.003 0.000 0.315 183 F C -1.727 173.975 175.800 -0.162 0.000 1.126 183 F CA -1.592 56.283 58.000 -0.208 0.000 0.950 183 F CB 1.082 39.959 39.000 -0.204 0.000 1.360 183 F HN 0.546 nan 8.300 nan 0.000 0.469 184 A N 0.557 123.367 122.820 -0.016 0.000 2.555 184 A HA 0.507 4.829 4.320 0.003 0.000 0.297 184 A C -1.940 175.686 177.584 0.069 0.000 1.060 184 A CA -0.653 51.364 52.037 -0.032 0.000 0.710 184 A CB 0.823 19.768 19.000 -0.091 0.000 1.282 184 A HN 0.949 nan 8.150 nan 0.000 0.399 185 H N 1.533 120.653 119.070 0.084 0.000 2.610 185 H HA 0.450 5.008 4.556 0.003 0.000 0.336 185 H C -0.050 175.282 175.328 0.007 0.000 1.087 185 H CA 1.298 57.382 56.048 0.059 0.000 1.405 185 H CB 1.271 31.060 29.762 0.045 0.000 1.460 185 H HN 0.691 nan 8.280 nan 0.000 0.538 186 T N 1.216 115.819 114.554 0.081 0.000 3.305 186 T HA 0.195 4.547 4.350 0.003 0.000 0.348 186 T C -2.906 171.748 174.700 -0.076 0.000 1.394 186 T CA -1.852 60.252 62.100 0.007 0.000 1.549 186 T CB 0.965 69.843 68.868 0.016 0.000 0.962 186 T HN 0.330 nan 8.240 nan 0.000 0.609 187 P HA 0.138 nan 4.420 nan 0.000 0.271 187 P C 1.224 178.208 177.300 -0.527 0.000 1.233 187 P CA -0.117 62.633 63.100 -0.584 0.000 0.764 187 P CB 1.233 32.298 31.700 -1.059 0.000 0.825 188 S N 3.280 118.778 115.700 -0.338 0.000 2.442 188 S HA -0.190 4.282 4.470 0.003 0.000 0.236 188 S C 1.320 175.881 174.600 -0.065 0.000 1.007 188 S CA 0.811 58.944 58.200 -0.110 0.000 0.965 188 S CB -1.330 61.900 63.200 0.050 0.000 0.773 188 S HN 0.522 nan 8.310 nan 0.000 0.504 189 F N 0.860 120.831 119.950 0.034 0.000 2.773 189 F HA 0.618 5.147 4.527 0.003 0.000 0.304 189 F C -0.019 175.790 175.800 0.016 0.000 1.129 189 F CA -0.923 57.089 58.000 0.019 0.000 1.378 189 F CB -0.406 38.606 39.000 0.021 0.000 1.095 189 F HN -0.066 nan 8.300 nan 0.000 0.565 190 V N 1.289 121.143 119.914 -0.101 0.000 2.443 190 V HA 0.742 4.863 4.120 0.003 0.000 0.293 190 V C 0.600 176.664 176.094 -0.050 0.000 1.021 190 V CA -0.439 61.843 62.300 -0.031 0.000 0.848 190 V CB 0.582 32.360 31.823 -0.074 0.000 0.998 190 V HN 0.684 nan 8.190 nan 0.000 0.424 191 G N 5.203 113.990 108.800 -0.022 0.000 2.531 191 G HA2 -0.100 3.862 3.960 0.003 0.000 0.274 191 G HA3 -0.100 3.862 3.960 0.003 0.000 0.274 191 G C 0.113 174.960 174.900 -0.088 0.000 1.159 191 G CA 0.629 45.699 45.100 -0.049 0.000 0.969 191 G HN 1.941 nan 8.290 nan 0.000 0.554 192 S N -2.130 113.490 115.700 -0.133 0.000 2.727 192 S HA 0.601 5.073 4.470 0.003 0.000 0.278 192 S C 1.129 175.609 174.600 -0.201 0.000 1.186 192 S CA 0.729 58.832 58.200 -0.162 0.000 0.836 192 S CB 0.753 63.800 63.200 -0.255 0.000 1.186 192 S HN 2.015 nan 8.310 nan 0.000 0.499 193 H N 0.860 119.827 119.070 -0.172 0.000 2.400 193 H HA -0.136 4.421 4.556 0.003 0.000 0.295 193 H C 2.085 177.298 175.328 -0.192 0.000 1.118 193 H CA 2.378 58.317 56.048 -0.181 0.000 1.256 193 H CB -1.545 28.037 29.762 -0.299 0.000 1.365 193 H HN 0.660 nan 8.280 nan 0.000 0.502 194 V N -0.305 119.097 119.914 -0.854 0.000 2.427 194 V HA -0.154 3.967 4.120 0.003 0.000 0.248 194 V C 2.387 178.404 176.094 -0.130 0.000 1.051 194 V CA 1.890 63.804 62.300 -0.644 0.000 1.048 194 V CB -1.254 29.940 31.823 -1.049 0.000 0.666 194 V HN 0.393 nan 8.190 nan 0.000 0.456 195 T N 1.391 115.875 114.554 -0.117 0.000 2.788 195 T HA -0.047 4.304 4.350 0.003 0.000 0.268 195 T C 1.974 176.731 174.700 0.095 0.000 1.044 195 T CA 1.795 63.909 62.100 0.023 0.000 1.139 195 T CB -0.935 67.918 68.868 -0.025 0.000 0.867 195 T HN 0.704 nan 8.240 nan 0.000 0.454 196 G N -0.272 108.576 108.800 0.080 0.000 2.422 196 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 196 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 196 G C 1.344 176.383 174.900 0.232 0.000 1.146 196 G CA 0.505 45.676 45.100 0.119 0.000 0.769 196 G HN 0.601 nan 8.290 nan 0.000 0.547 197 W N 1.031 122.429 121.300 0.163 0.000 2.379 197 W HA -0.041 4.621 4.660 0.003 0.000 0.307 197 W C 2.250 178.917 176.519 0.247 0.000 1.200 197 W CA 1.259 58.758 57.345 0.256 0.000 1.297 197 W CB 0.074 29.755 29.460 0.370 0.000 1.140 197 W HN 0.249 nan 8.180 nan 0.000 0.507 198 D N 0.162 120.941 120.400 0.632 0.000 2.092 198 D HA -0.261 4.380 4.640 0.003 0.000 0.193 198 D C 1.750 178.217 176.300 0.278 0.000 0.994 198 D CA 1.882 56.169 54.000 0.479 0.000 0.828 198 D CB -0.553 40.442 40.800 0.324 0.000 0.963 198 D HN 0.030 nan 8.370 nan 0.000 0.450 199 N N -0.368 118.433 118.700 0.169 0.000 2.120 199 N HA -0.158 4.584 4.740 0.003 0.000 0.188 199 N C 1.731 177.234 175.510 -0.011 0.000 1.024 199 N CA 0.909 53.995 53.050 0.060 0.000 0.852 199 N CB -0.420 38.093 38.487 0.044 0.000 1.003 199 N HN 0.298 nan 8.380 nan 0.000 0.424 200 M N -0.475 119.121 119.600 -0.006 0.000 2.200 200 M HA 0.010 4.492 4.480 0.003 0.000 0.265 200 M C 1.744 177.939 176.300 -0.176 0.000 1.066 200 M CA 1.060 56.291 55.300 -0.115 0.000 1.127 200 M CB -0.388 32.134 32.600 -0.130 0.000 1.379 200 M HN 0.064 nan 8.290 nan 0.000 0.420 201 F N 0.838 120.660 119.950 -0.213 0.000 2.075 201 F HA -0.192 4.337 4.527 0.003 0.000 0.297 201 F C 2.304 178.026 175.800 -0.130 0.000 1.113 201 F CA 2.289 60.191 58.000 -0.163 0.000 1.218 201 F CB -0.641 38.348 39.000 -0.018 0.000 0.984 201 F HN 0.394 nan 8.300 nan 0.000 0.472 202 E N 0.059 120.225 120.200 -0.057 0.000 2.118 202 E HA -0.114 4.237 4.350 0.003 0.000 0.195 202 E C 2.352 178.645 176.600 -0.512 0.000 0.992 202 E CA 1.781 58.007 56.400 -0.290 0.000 0.804 202 E CB -1.172 28.437 29.700 -0.152 0.000 0.741 202 E HN 0.392 nan 8.360 nan 0.000 0.458 203 G N 1.033 109.583 108.800 -0.416 0.000 2.459 203 G HA2 -0.238 3.724 3.960 0.003 0.000 0.217 203 G HA3 -0.238 3.724 3.960 0.003 0.000 0.217 203 G C 1.728 176.337 174.900 -0.485 0.000 1.183 203 G CA 1.242 46.046 45.100 -0.494 0.000 0.776 203 G HN 0.351 nan 8.290 nan 0.000 0.552 204 I N 1.476 121.753 120.570 -0.488 0.000 2.286 204 I HA -0.146 4.026 4.170 0.003 0.000 0.248 204 I C 3.279 179.243 176.117 -0.254 0.000 1.115 204 I CA 0.835 61.874 61.300 -0.434 0.000 1.392 204 I CB -0.232 37.347 38.000 -0.702 0.000 1.065 204 I HN 0.249 nan 8.210 nan 0.000 0.418 205 A N 1.068 123.611 122.820 -0.461 0.000 1.858 205 A HA -0.262 4.060 4.320 0.003 0.000 0.216 205 A C 2.467 179.983 177.584 -0.113 0.000 1.190 205 A CA 1.973 53.883 52.037 -0.212 0.000 0.617 205 A CB -0.695 18.069 19.000 -0.394 0.000 0.827 205 A HN 0.366 nan 8.150 nan 0.000 0.443 206 R N -2.032 118.109 120.500 -0.599 0.000 2.083 206 R HA -0.216 4.125 4.340 0.003 0.000 0.237 206 R C 2.097 178.302 176.300 -0.157 0.000 1.137 206 R CA 2.039 57.827 56.100 -0.520 0.000 0.951 206 R CB -0.623 29.225 30.300 -0.754 0.000 0.851 206 R HN 0.585 nan 8.270 nan 0.000 0.434 207 Y N 0.133 120.227 120.300 -0.345 0.000 2.114 207 Y HA -0.258 4.293 4.550 0.003 0.000 0.282 207 Y C 1.499 177.168 175.900 -0.384 0.000 1.165 207 Y CA 2.096 59.951 58.100 -0.408 0.000 1.148 207 Y CB -0.276 37.820 38.460 -0.606 0.000 0.972 207 Y HN 0.072 nan 8.280 nan 0.000 0.504 208 F N -0.970 118.985 119.950 0.008 0.000 2.743 208 F HA 0.022 4.551 4.527 0.003 0.000 0.297 208 F C 2.186 177.993 175.800 0.011 0.000 1.131 208 F CA 1.259 59.251 58.000 -0.014 0.000 1.426 208 F CB -0.151 38.876 39.000 0.045 0.000 1.116 208 F HN 0.191 nan 8.300 nan 0.000 0.583 209 T N -4.396 110.313 114.554 0.259 0.000 2.980 209 T HA 0.072 4.424 4.350 0.003 0.000 0.252 209 T C 1.656 176.500 174.700 0.240 0.000 0.962 209 T CA 0.079 62.348 62.100 0.282 0.000 0.932 209 T CB -0.622 68.565 68.868 0.533 0.000 1.188 209 T HN 0.057 nan 8.240 nan 0.000 0.500 210 L N 1.261 122.634 121.223 0.250 0.000 2.189 210 L HA 0.039 4.380 4.340 0.003 0.000 0.214 210 L C 2.002 178.921 176.870 0.080 0.000 1.097 210 L CA 1.692 56.652 54.840 0.200 0.000 0.764 210 L CB -0.368 41.789 42.059 0.164 0.000 0.900 210 L HN 0.085 nan 8.230 nan 0.000 0.436 211 K N -1.285 119.128 120.400 0.021 0.000 2.168 211 K HA 0.206 4.528 4.320 0.003 0.000 0.201 211 K C 1.915 178.515 176.600 0.000 0.000 1.049 211 K CA 1.120 57.402 56.287 -0.008 0.000 0.974 211 K CB -0.503 31.965 32.500 -0.053 0.000 0.792 211 K HN 0.290 nan 8.250 nan 0.000 0.463 212 S N 1.788 117.491 115.700 0.004 0.000 2.603 212 S HA 0.003 4.475 4.470 0.003 0.000 0.229 212 S C 1.581 176.181 174.600 -0.000 0.000 0.972 212 S CA 0.444 58.644 58.200 -0.001 0.000 0.935 212 S CB -0.187 63.013 63.200 -0.001 0.000 0.769 212 S HN 0.107 nan 8.310 nan 0.000 0.536 213 M N 1.992 121.601 119.600 0.015 0.000 2.435 213 M HA -0.092 4.389 4.480 0.003 0.000 0.262 213 M C 1.105 177.402 176.300 -0.004 0.000 1.065 213 M CA 0.794 56.099 55.300 0.008 0.000 1.076 213 M CB -1.262 31.354 32.600 0.026 0.000 1.403 213 M HN 0.200 nan 8.290 nan 0.000 0.454 214 D N 0.922 121.319 120.400 -0.005 0.000 2.178 214 D HA -0.133 4.509 4.640 0.003 0.000 0.201 214 D C 0.971 177.264 176.300 -0.011 0.000 0.980 214 D CA 1.297 55.293 54.000 -0.007 0.000 0.842 214 D CB -0.230 40.566 40.800 -0.006 0.000 0.948 214 D HN 0.527 nan 8.370 nan 0.000 0.472 215 D N -0.204 120.186 120.400 -0.017 0.000 2.388 215 D HA -0.017 4.624 4.640 0.003 0.000 0.221 215 D C -0.031 176.252 176.300 -0.028 0.000 1.133 215 D CA -0.138 53.850 54.000 -0.020 0.000 0.831 215 D CB 0.048 40.836 40.800 -0.021 0.000 0.962 215 D HN -0.162 nan 8.370 nan 0.000 0.502 216 K N 0.657 121.039 120.400 -0.030 0.000 2.211 216 K HA 0.412 4.733 4.320 0.003 0.000 0.275 216 K C -0.518 176.069 176.600 -0.021 0.000 1.024 216 K CA -0.894 55.368 56.287 -0.043 0.000 0.887 216 K CB 2.533 34.992 32.500 -0.068 0.000 1.084 216 K HN -0.088 nan 8.250 nan 0.000 0.463 217 V N 3.302 123.205 119.914 -0.018 0.000 2.350 217 V HA 0.130 4.252 4.120 0.003 0.000 0.285 217 V C 0.217 176.318 176.094 0.012 0.000 1.014 217 V CA -1.171 61.127 62.300 -0.003 0.000 0.831 217 V CB 1.614 33.431 31.823 -0.009 0.000 1.000 217 V HN 0.416 nan 8.190 nan 0.000 0.433 218 V N 5.714 125.654 119.914 0.043 0.000 2.441 218 V HA 0.341 4.462 4.120 0.003 0.000 0.279 218 V C 1.481 177.581 176.094 0.010 0.000 0.990 218 V CA 1.931 64.278 62.300 0.079 0.000 1.116 218 V CB -0.262 31.629 31.823 0.114 0.000 0.977 218 V HN 1.288 nan 8.190 nan 0.000 0.470 219 G N 4.055 112.847 108.800 -0.013 0.000 2.253 219 G HA2 -0.276 3.685 3.960 0.003 0.000 0.209 219 G HA3 -0.276 3.685 3.960 0.003 0.000 0.209 219 G C 1.102 175.986 174.900 -0.027 0.000 0.997 219 G CA 0.516 45.595 45.100 -0.035 0.000 0.640 219 G HN 0.944 nan 8.290 nan 0.000 0.496 220 S N 1.573 117.261 115.700 -0.021 0.000 2.419 220 S HA -0.144 4.327 4.470 0.003 0.000 0.233 220 S C 1.801 176.385 174.600 -0.027 0.000 1.016 220 S CA 1.822 60.008 58.200 -0.023 0.000 0.974 220 S CB -0.389 62.798 63.200 -0.022 0.000 0.786 220 S HN 1.099 nan 8.310 nan 0.000 0.492 221 N N 2.099 120.780 118.700 -0.032 0.000 2.336 221 N HA -0.053 4.688 4.740 0.003 0.000 0.189 221 N C 0.191 175.682 175.510 -0.030 0.000 1.113 221 N CA 0.495 53.524 53.050 -0.035 0.000 0.858 221 N CB -0.850 37.611 38.487 -0.044 0.000 0.970 221 N HN 0.727 nan 8.380 nan 0.000 0.471 222 K N -0.204 120.180 120.400 -0.027 0.000 3.356 222 K HA -0.289 4.032 4.320 0.003 0.000 0.270 222 K C -1.057 175.534 176.600 -0.015 0.000 0.901 222 K CA 1.034 57.307 56.287 -0.024 0.000 0.688 222 K CB -2.135 30.353 32.500 -0.020 0.000 1.460 222 K HN 0.403 nan 8.250 nan 0.000 0.458 223 K N 0.514 120.906 120.400 -0.013 0.000 2.350 223 K HA 0.631 4.953 4.320 0.003 0.000 0.241 223 K C -0.167 176.447 176.600 0.023 0.000 0.994 223 K CA -1.102 55.191 56.287 0.009 0.000 0.839 223 K CB 1.616 34.114 32.500 -0.003 0.000 1.244 223 K HN 0.154 nan 8.250 nan 0.000 0.443 224 I N 1.763 122.375 120.570 0.069 0.000 2.404 224 I HA 0.232 4.403 4.170 0.003 0.000 0.293 224 I C -0.453 175.752 176.117 0.146 0.000 0.992 224 I CA -1.026 60.317 61.300 0.071 0.000 1.149 224 I CB 1.587 39.612 38.000 0.041 0.000 1.315 224 I HN 0.417 nan 8.210 nan 0.000 0.446 225 N N 6.402 125.206 118.700 0.172 0.000 2.518 225 N HA 0.438 5.180 4.740 0.003 0.000 0.283 225 N C -0.802 174.848 175.510 0.233 0.000 1.119 225 N CA -0.247 52.947 53.050 0.241 0.000 0.983 225 N CB 1.806 40.499 38.487 0.344 0.000 1.139 225 N HN 0.312 nan 8.380 nan 0.000 0.465 226 I N 2.142 122.855 120.570 0.239 0.000 2.418 226 I HA 0.265 4.437 4.170 0.003 0.000 0.287 226 I C -0.317 175.891 176.117 0.153 0.000 1.008 226 I CA -0.738 60.677 61.300 0.191 0.000 1.104 226 I CB 1.399 39.517 38.000 0.196 0.000 1.264 226 I HN 0.025 nan 8.210 nan 0.000 0.438 227 V N 9.244 129.197 119.914 0.065 0.000 2.347 227 V HA 0.311 4.433 4.120 0.003 0.000 0.280 227 V C -1.299 174.732 176.094 -0.104 0.000 1.021 227 V CA -0.970 61.286 62.300 -0.073 0.000 0.847 227 V CB 1.797 33.476 31.823 -0.239 0.000 0.990 227 V HN 0.572 nan 8.190 nan 0.000 0.444 228 P HA 0.138 nan 4.420 nan 0.000 0.224 228 P C 0.766 177.816 177.300 -0.416 0.000 1.157 228 P CA 1.324 64.349 63.100 -0.125 0.000 0.799 228 P CB 0.602 32.393 31.700 0.151 0.000 0.809 229 G N 0.676 108.903 108.800 -0.955 0.000 2.725 229 G HA2 -0.258 3.704 3.960 0.003 0.000 0.220 229 G HA3 -0.258 3.704 3.960 0.003 0.000 0.220 229 G C -0.981 173.138 174.900 -1.302 0.000 1.357 229 G CA -0.451 43.855 45.100 -1.324 0.000 0.866 229 G HN 0.286 nan 8.290 nan 0.000 0.548 230 F N 1.709 121.172 119.950 -0.812 0.000 2.494 230 F HA 0.584 5.112 4.527 0.003 0.000 0.369 230 F C 0.361 176.022 175.800 -0.231 0.000 1.098 230 F CA 0.209 57.892 58.000 -0.528 0.000 1.154 230 F CB 0.945 39.776 39.000 -0.282 0.000 1.103 230 F HN 0.661 nan 8.300 nan 0.000 0.549 231 E N 3.544 123.579 120.200 -0.275 0.000 2.241 231 E HA 0.283 4.635 4.350 0.003 0.000 0.263 231 E C -0.339 176.164 176.600 -0.161 0.000 0.882 231 E CA -0.483 55.782 56.400 -0.225 0.000 0.769 231 E CB 1.332 30.771 29.700 -0.434 0.000 1.185 231 E HN 0.512 nan 8.360 nan 0.000 0.415 232 T N 1.077 115.520 114.554 -0.185 0.000 3.228 232 T HA 0.313 4.665 4.350 0.003 0.000 0.278 232 T C -0.419 174.291 174.700 0.016 0.000 1.014 232 T CA -0.200 61.862 62.100 -0.063 0.000 0.904 232 T CB -0.383 68.156 68.868 -0.548 0.000 1.110 232 T HN 0.258 nan 8.240 nan 0.000 0.541 233 Y N 1.004 121.383 120.300 0.133 0.000 2.326 233 Y HA 0.522 5.073 4.550 0.003 0.000 0.331 233 Y C 1.118 177.090 175.900 0.120 0.000 0.962 233 Y CA -1.806 56.379 58.100 0.141 0.000 1.167 233 Y CB 1.477 39.944 38.460 0.012 0.000 1.148 233 Y HN -0.034 nan 8.280 nan 0.000 0.463 234 L N 2.016 123.497 121.223 0.430 0.000 2.131 234 L HA -0.133 4.209 4.340 0.003 0.000 0.210 234 L C 2.243 179.269 176.870 0.260 0.000 1.092 234 L CA 1.572 56.655 54.840 0.404 0.000 0.759 234 L CB -0.488 41.768 42.059 0.330 0.000 0.903 234 L HN 0.947 nan 8.230 nan 0.000 0.435 235 G N -0.095 108.809 108.800 0.174 0.000 2.448 235 G HA2 -0.250 3.711 3.960 0.003 0.000 0.219 235 G HA3 -0.250 3.711 3.960 0.003 0.000 0.219 235 G C 1.391 176.291 174.900 0.001 0.000 1.127 235 G CA 0.611 45.752 45.100 0.068 0.000 0.766 235 G HN 0.328 nan 8.290 nan 0.000 0.552 236 N N 0.408 119.074 118.700 -0.056 0.000 2.171 236 N HA -0.027 4.714 4.740 0.003 0.000 0.184 236 N C 1.810 177.200 175.510 -0.200 0.000 1.021 236 N CA 0.643 53.580 53.050 -0.189 0.000 0.854 236 N CB -0.470 37.848 38.487 -0.281 0.000 0.994 236 N HN 0.314 nan 8.380 nan 0.000 0.426 237 F N 1.224 121.181 119.950 0.012 0.000 2.134 237 F HA -0.051 4.477 4.527 0.003 0.000 0.299 237 F C 2.465 178.258 175.800 -0.013 0.000 1.097 237 F CA 0.889 58.886 58.000 -0.004 0.000 1.264 237 F CB -0.434 38.572 39.000 0.010 0.000 1.001 237 F HN -0.081 nan 8.300 nan 0.000 0.479 238 R N -0.045 120.570 120.500 0.192 0.000 2.081 238 R HA -0.108 4.233 4.340 0.003 0.000 0.235 238 R C 2.361 178.679 176.300 0.031 0.000 1.131 238 R CA 1.102 57.264 56.100 0.105 0.000 0.960 238 R CB -0.934 29.422 30.300 0.094 0.000 0.856 238 R HN 0.226 nan 8.270 nan 0.000 0.436 239 V N 0.437 120.342 119.914 -0.016 0.000 2.548 239 V HA -0.150 3.972 4.120 0.003 0.000 0.249 239 V C 1.810 177.853 176.094 -0.085 0.000 1.055 239 V CA 1.288 63.554 62.300 -0.057 0.000 1.065 239 V CB -0.226 31.539 31.823 -0.096 0.000 0.681 239 V HN 0.247 nan 8.190 nan 0.000 0.462 240 I N 0.190 120.697 120.570 -0.104 0.000 2.179 240 I HA -0.215 3.957 4.170 0.003 0.000 0.242 240 I C 2.487 178.502 176.117 -0.170 0.000 1.088 240 I CA 1.764 62.986 61.300 -0.130 0.000 1.357 240 I CB -1.338 36.590 38.000 -0.119 0.000 1.051 240 I HN 0.370 nan 8.210 nan 0.000 0.409 241 K N 0.095 120.406 120.400 -0.147 0.000 2.057 241 K HA -0.177 4.144 4.320 0.003 0.000 0.207 241 K C 2.266 178.791 176.600 -0.125 0.000 1.049 241 K CA 0.975 57.128 56.287 -0.222 0.000 0.931 241 K CB -0.187 32.338 32.500 0.040 0.000 0.714 241 K HN 0.212 nan 8.250 nan 0.000 0.440 242 R N 0.970 121.445 120.500 -0.042 0.000 2.080 242 R HA -0.109 4.232 4.340 0.003 0.000 0.236 242 R C 2.295 178.585 176.300 -0.016 0.000 1.137 242 R CA 1.668 57.764 56.100 -0.007 0.000 0.943 242 R CB -0.133 30.167 30.300 0.001 0.000 0.846 242 R HN 0.193 nan 8.270 nan 0.000 0.431 243 M N 0.320 119.900 119.600 -0.034 0.000 2.132 243 M HA -0.157 4.324 4.480 0.003 0.000 0.263 243 M C 2.324 178.615 176.300 -0.015 0.000 1.065 243 M CA 1.449 56.745 55.300 -0.006 0.000 1.122 243 M CB -0.175 32.428 32.600 0.006 0.000 1.365 243 M HN 0.189 nan 8.290 nan 0.000 0.411 244 L N -0.871 120.297 121.223 -0.092 0.000 2.056 244 L HA -0.178 4.164 4.340 0.003 0.000 0.207 244 L C 2.585 179.450 176.870 -0.008 0.000 1.078 244 L CA 1.001 55.774 54.840 -0.112 0.000 0.749 244 L CB -0.642 41.185 42.059 -0.386 0.000 0.901 244 L HN 0.254 nan 8.230 nan 0.000 0.433 245 S N 0.041 115.755 115.700 0.023 0.000 2.368 245 S HA -0.202 4.269 4.470 0.003 0.000 0.225 245 S C 1.731 176.373 174.600 0.071 0.000 1.030 245 S CA 1.676 59.947 58.200 0.119 0.000 0.999 245 S CB -0.281 63.003 63.200 0.140 0.000 0.844 245 S HN 0.603 nan 8.310 nan 0.000 0.459 246 E N 0.682 120.909 120.200 0.046 0.000 2.418 246 E HA -0.015 4.337 4.350 0.003 0.000 0.197 246 E C 1.776 178.399 176.600 0.038 0.000 1.026 246 E CA 0.627 57.052 56.400 0.041 0.000 0.862 246 E CB -0.255 29.467 29.700 0.038 0.000 0.799 246 E HN 0.472 nan 8.360 nan 0.000 0.518 247 M N 0.474 120.096 119.600 0.037 0.000 2.556 247 M HA 0.159 4.641 4.480 0.003 0.000 0.245 247 M C 0.918 177.238 176.300 0.033 0.000 1.128 247 M CA 1.076 56.394 55.300 0.031 0.000 1.069 247 M CB 0.446 33.059 32.600 0.021 0.000 1.469 247 M HN 0.336 nan 8.290 nan 0.000 0.494 248 G N 1.213 110.042 108.800 0.049 0.000 2.176 248 G HA2 -0.196 3.766 3.960 0.003 0.000 0.252 248 G HA3 -0.196 3.766 3.960 0.003 0.000 0.252 248 G C -0.222 174.715 174.900 0.062 0.000 1.024 248 G CA 0.185 45.316 45.100 0.053 0.000 0.755 248 G HN 0.360 nan 8.290 nan 0.000 0.507 249 V N 0.580 120.545 119.914 0.085 0.000 2.465 249 V HA 0.670 4.792 4.120 0.003 0.000 0.279 249 V C 1.285 177.495 176.094 0.193 0.000 1.045 249 V CA 0.091 62.448 62.300 0.096 0.000 0.938 249 V CB 1.552 33.411 31.823 0.060 0.000 0.986 249 V HN 0.706 nan 8.190 nan 0.000 0.467 250 G N 4.383 113.259 108.800 0.126 0.000 2.390 250 G HA2 0.523 4.485 3.960 0.003 0.000 0.270 250 G HA3 0.523 4.485 3.960 0.003 0.000 0.270 250 G C -0.992 174.004 174.900 0.160 0.000 1.211 250 G CA -0.046 45.108 45.100 0.091 0.000 0.842 250 G HN 0.887 nan 8.290 nan 0.000 0.519 251 Y N -1.164 119.144 120.300 0.015 0.000 2.670 251 Y HA 0.791 5.343 4.550 0.003 0.000 0.334 251 Y C -0.627 175.294 175.900 0.035 0.000 1.185 251 Y CA -1.676 56.442 58.100 0.030 0.000 1.053 251 Y CB 1.429 39.916 38.460 0.044 0.000 1.298 251 Y HN 0.488 nan 8.280 nan 0.000 0.459 252 S N 1.826 117.607 115.700 0.135 0.000 2.776 252 S HA 0.471 4.943 4.470 0.003 0.000 0.284 252 S C -1.997 172.743 174.600 0.232 0.000 1.160 252 S CA -0.533 57.700 58.200 0.055 0.000 1.051 252 S CB 0.684 63.907 63.200 0.039 0.000 1.037 252 S HN 0.746 nan 8.310 nan 0.000 0.485 253 L N 6.557 127.934 121.223 0.256 0.000 2.315 253 L HA 0.534 4.875 4.340 0.003 0.000 0.283 253 L C -1.093 175.861 176.870 0.140 0.000 1.089 253 L CA 0.121 55.107 54.840 0.243 0.000 0.833 253 L CB 0.222 42.435 42.059 0.258 0.000 1.170 253 L HN 0.602 nan 8.230 nan 0.000 0.442 254 L N 5.565 126.905 121.223 0.196 0.000 2.264 254 L HA 0.439 4.781 4.340 0.003 0.000 0.287 254 L C 0.319 177.309 176.870 0.201 0.000 1.039 254 L CA -0.618 54.379 54.840 0.261 0.000 0.829 254 L CB 0.859 43.269 42.059 0.584 0.000 1.211 254 L HN 0.858 nan 8.230 nan 0.000 0.427 255 S N 2.562 118.088 115.700 -0.291 0.000 3.581 255 S HA -0.144 4.327 4.470 0.003 0.000 0.763 255 S C -0.842 173.594 174.600 -0.274 0.000 0.502 255 S CA -0.269 57.588 58.200 -0.572 0.000 1.470 255 S CB -0.383 62.804 63.200 -0.021 0.000 0.924 255 S HN 0.865 nan 8.310 nan 0.000 1.062 256 D N 5.731 125.880 120.400 -0.419 0.000 2.420 256 D HA 0.474 5.115 4.640 0.003 0.000 0.255 256 D C -1.344 174.644 176.300 -0.520 0.000 1.185 256 D CA -1.880 51.858 54.000 -0.438 0.000 0.904 256 D CB 1.424 42.076 40.800 -0.246 0.000 1.102 256 D HN 0.300 nan 8.370 nan 0.000 0.534 257 P HA 0.021 nan 4.420 nan 0.000 0.255 257 P C 0.669 177.677 177.300 -0.487 0.000 1.248 257 P CA 0.236 63.019 63.100 -0.528 0.000 0.807 257 P CB 0.367 31.778 31.700 -0.482 0.000 1.150 258 E N 0.238 120.117 120.200 -0.536 0.000 2.333 258 E HA -0.180 4.172 4.350 0.003 0.000 0.198 258 E C 1.589 178.105 176.600 -0.140 0.000 1.007 258 E CA 1.241 57.484 56.400 -0.261 0.000 0.845 258 E CB -0.571 29.053 29.700 -0.126 0.000 0.766 258 E HN 0.148 nan 8.360 nan 0.000 0.507 259 E N 0.526 120.640 120.200 -0.143 0.000 2.075 259 E HA -0.037 4.315 4.350 0.003 0.000 0.190 259 E C 2.357 178.901 176.600 -0.095 0.000 0.969 259 E CA 1.393 57.742 56.400 -0.086 0.000 0.815 259 E CB -0.122 29.536 29.700 -0.070 0.000 0.776 259 E HN 0.380 nan 8.360 nan 0.000 0.457 260 V N 0.548 120.386 119.914 -0.126 0.000 2.720 260 V HA -0.145 3.976 4.120 0.003 0.000 0.256 260 V C 2.173 178.174 176.094 -0.155 0.000 1.082 260 V CA 1.215 63.443 62.300 -0.120 0.000 1.101 260 V CB -0.770 30.981 31.823 -0.119 0.000 0.693 260 V HN 0.106 nan 8.190 nan 0.000 0.479 261 L N 0.106 121.196 121.223 -0.223 0.000 2.653 261 L HA 0.377 4.719 4.340 0.003 0.000 0.231 261 L C 0.474 177.279 176.870 -0.108 0.000 1.153 261 L CA 0.387 55.050 54.840 -0.296 0.000 0.933 261 L CB 0.058 41.749 42.059 -0.613 0.000 1.175 261 L HN 0.316 nan 8.230 nan 0.000 0.473 262 D N 0.044 120.423 120.400 -0.036 0.000 3.407 262 D HA 0.041 4.682 4.640 0.003 0.000 0.291 262 D C 0.145 176.463 176.300 0.030 0.000 1.309 262 D CA -0.138 53.889 54.000 0.045 0.000 0.747 262 D CB 0.507 41.351 40.800 0.073 0.000 1.343 262 D HN 0.007 nan 8.370 nan 0.000 0.631 263 T N -0.371 114.197 114.554 0.024 0.000 2.904 263 T HA 0.604 4.955 4.350 0.003 0.000 0.290 263 T C -1.902 172.822 174.700 0.041 0.000 1.018 263 T CA -1.265 60.847 62.100 0.020 0.000 1.075 263 T CB 1.216 70.087 68.868 0.004 0.000 0.986 263 T HN 0.046 nan 8.240 nan 0.000 0.523 264 P HA 0.303 nan 4.420 nan 0.000 0.269 264 P C -0.835 176.494 177.300 0.048 0.000 1.209 264 P CA -0.525 62.598 63.100 0.038 0.000 0.776 264 P CB 0.407 32.122 31.700 0.026 0.000 0.876 265 A N 2.567 125.418 122.820 0.051 0.000 2.798 265 A HA 0.258 4.580 4.320 0.003 0.000 0.316 265 A C 0.534 178.145 177.584 0.046 0.000 1.506 265 A CA -0.410 51.662 52.037 0.058 0.000 1.162 265 A CB -0.637 18.398 19.000 0.059 0.000 1.138 265 A HN 0.592 nan 8.150 nan 0.000 0.532 266 D N 1.160 121.587 120.400 0.045 0.000 2.571 266 D HA 0.296 4.937 4.640 0.003 0.000 0.239 266 D C 0.910 177.234 176.300 0.039 0.000 1.267 266 D CA 0.474 54.496 54.000 0.036 0.000 0.823 266 D CB -0.107 40.710 40.800 0.029 0.000 1.056 266 D HN 0.968 nan 8.370 nan 0.000 0.494 267 G N 0.184 109.014 108.800 0.048 0.000 2.232 267 G HA2 -0.244 3.718 3.960 0.003 0.000 0.226 267 G HA3 -0.244 3.718 3.960 0.003 0.000 0.226 267 G C 0.063 175.002 174.900 0.064 0.000 0.996 267 G CA -0.155 44.975 45.100 0.050 0.000 0.626 267 G HN 0.447 nan 8.290 nan 0.000 0.509 268 Q N -0.586 119.256 119.800 0.071 0.000 2.377 268 Q HA 0.664 5.005 4.340 0.003 0.000 0.271 268 Q C -1.212 174.868 176.000 0.134 0.000 1.077 268 Q CA -1.050 54.805 55.803 0.087 0.000 0.820 268 Q CB 2.300 31.065 28.738 0.044 0.000 1.347 268 Q HN 0.339 nan 8.270 nan 0.000 0.444 269 F N 1.942 121.898 119.950 0.011 0.000 2.415 269 F HA 0.456 4.985 4.527 0.002 0.000 0.348 269 F C -0.794 175.004 175.800 -0.003 0.000 1.119 269 F CA -0.633 57.368 58.000 0.002 0.000 1.069 269 F CB 0.773 39.773 39.000 0.000 0.000 1.124 269 F HN 0.352 nan 8.300 nan 0.000 0.472 270 R N 7.214 127.371 120.500 -0.570 0.000 2.265 270 R HA 0.275 4.616 4.340 0.003 0.000 0.328 270 R C 1.041 176.744 176.300 -0.995 0.000 0.969 270 R CA -0.536 55.194 56.100 -0.616 0.000 0.832 270 R CB 1.579 31.726 30.300 -0.255 0.000 1.139 270 R HN 0.967 nan 8.270 nan 0.000 0.457 271 M N 2.336 121.264 119.600 -1.121 0.000 2.132 271 M HA -0.054 4.428 4.480 0.003 0.000 0.263 271 M C -0.514 175.400 176.300 -0.643 0.000 1.065 271 M CA 1.806 56.541 55.300 -0.942 0.000 1.122 271 M CB 0.382 32.442 32.600 -0.900 0.000 1.365 271 M HN 0.423 nan 8.290 nan 0.000 0.411 272 Y N -0.419 119.772 120.300 -0.181 0.000 2.468 272 Y HA 0.708 5.259 4.550 0.003 0.000 0.342 272 Y C -0.429 175.406 175.900 -0.109 0.000 1.021 272 Y CA -1.299 56.740 58.100 -0.101 0.000 1.079 272 Y CB 1.595 40.026 38.460 -0.049 0.000 1.226 272 Y HN 0.072 nan 8.280 nan 0.000 0.460 273 A N 1.102 123.965 122.820 0.071 0.000 2.555 273 A HA 0.666 4.987 4.320 0.003 0.000 0.297 273 A C 0.178 177.749 177.584 -0.021 0.000 1.060 273 A CA -0.215 51.823 52.037 0.002 0.000 0.710 273 A CB 0.663 19.640 19.000 -0.038 0.000 1.282 273 A HN 1.572 nan 8.150 nan 0.000 0.399 274 G N 1.265 110.046 108.800 -0.031 0.000 2.596 274 G HA2 0.441 4.403 3.960 0.003 0.000 0.295 274 G HA3 0.441 4.403 3.960 0.003 0.000 0.295 274 G C 1.590 176.448 174.900 -0.070 0.000 1.240 274 G CA 1.444 46.511 45.100 -0.055 0.000 0.985 274 G HN 3.239 nan 8.290 nan 0.000 0.555 275 G N -3.431 105.301 108.800 -0.113 0.000 2.712 275 G HA2 0.363 4.325 3.960 0.003 0.000 0.686 275 G HA3 0.363 4.325 3.960 0.003 0.000 0.686 275 G C -0.065 174.746 174.900 -0.147 0.000 1.321 275 G CA 0.369 45.375 45.100 -0.155 0.000 0.813 275 G HN 2.042 nan 8.290 nan 0.000 0.599 276 T N 1.823 116.237 114.554 -0.233 0.000 2.888 276 T HA 0.478 4.829 4.350 0.003 0.000 0.301 276 T C 1.366 176.045 174.700 -0.036 0.000 1.001 276 T CA 0.831 62.833 62.100 -0.163 0.000 1.147 276 T CB 0.634 69.321 68.868 -0.303 0.000 0.931 276 T HN 1.481 nan 8.240 nan 0.000 0.541 277 T N 1.673 116.196 114.554 -0.051 0.000 2.904 277 T HA 0.183 4.535 4.350 0.003 0.000 0.290 277 T C 1.340 175.960 174.700 -0.133 0.000 1.018 277 T CA -0.802 61.256 62.100 -0.070 0.000 1.075 277 T CB 0.932 69.751 68.868 -0.081 0.000 0.986 277 T HN 0.603 nan 8.240 nan 0.000 0.523 278 Q N 0.602 120.269 119.800 -0.223 0.000 2.181 278 Q HA -0.176 4.166 4.340 0.003 0.000 0.205 278 Q C 2.068 177.805 176.000 -0.438 0.000 0.980 278 Q CA 1.909 57.397 55.803 -0.526 0.000 0.862 278 Q CB -0.198 28.336 28.738 -0.341 0.000 0.905 278 Q HN 0.799 nan 8.270 nan 0.000 0.429 279 E N 1.018 121.088 120.200 -0.217 0.000 2.110 279 E HA -0.181 4.170 4.350 0.003 0.000 0.193 279 E C 1.655 178.169 176.600 -0.142 0.000 0.988 279 E CA 1.155 57.469 56.400 -0.144 0.000 0.804 279 E CB -0.026 29.617 29.700 -0.094 0.000 0.745 279 E HN 0.386 nan 8.360 nan 0.000 0.458 280 E N -0.260 119.860 120.200 -0.133 0.000 2.106 280 E HA -0.124 4.228 4.350 0.003 0.000 0.192 280 E C 1.845 178.390 176.600 -0.092 0.000 0.984 280 E CA 0.840 57.184 56.400 -0.093 0.000 0.806 280 E CB -0.018 29.648 29.700 -0.057 0.000 0.750 280 E HN 0.196 nan 8.360 nan 0.000 0.458 281 M N 0.660 120.170 119.600 -0.149 0.000 2.175 281 M HA -0.109 4.372 4.480 0.003 0.000 0.264 281 M C 1.921 178.152 176.300 -0.115 0.000 1.063 281 M CA 1.478 56.705 55.300 -0.120 0.000 1.119 281 M CB -0.539 31.858 32.600 -0.338 0.000 1.377 281 M HN -0.030 nan 8.290 nan 0.000 0.415 282 K N -0.221 120.080 120.400 -0.165 0.000 2.062 282 K HA -0.160 4.161 4.320 0.003 0.000 0.205 282 K C 1.559 178.088 176.600 -0.119 0.000 1.051 282 K CA 1.313 57.564 56.287 -0.060 0.000 0.941 282 K CB -0.134 32.353 32.500 -0.023 0.000 0.719 282 K HN 0.155 nan 8.250 nan 0.000 0.440 283 D N 0.393 120.714 120.400 -0.132 0.000 2.317 283 D HA 0.002 4.644 4.640 0.003 0.000 0.211 283 D C 1.508 177.685 176.300 -0.205 0.000 0.966 283 D CA 0.517 54.433 54.000 -0.140 0.000 0.876 283 D CB 0.139 40.877 40.800 -0.102 0.000 0.927 283 D HN 0.171 nan 8.370 nan 0.000 0.519 284 A N 0.954 123.611 122.820 -0.271 0.000 2.032 284 A HA -0.127 4.195 4.320 0.003 0.000 0.221 284 A C -0.276 176.894 177.584 -0.691 0.000 1.165 284 A CA 1.091 52.889 52.037 -0.398 0.000 0.645 284 A CB -1.407 17.342 19.000 -0.418 0.000 0.807 284 A HN 0.286 nan 8.150 nan 0.000 0.453 285 P HA -0.082 nan 4.420 nan 0.000 0.221 285 P C 0.523 177.714 177.300 -0.182 0.000 1.150 285 P CA 1.201 63.835 63.100 -0.777 0.000 0.800 285 P CB -0.255 31.007 31.700 -0.731 0.000 0.787 286 N N -0.696 117.914 118.700 -0.150 0.000 2.571 286 N HA 0.054 4.796 4.740 0.003 0.000 0.189 286 N C 0.597 176.100 175.510 -0.011 0.000 1.154 286 N CA -0.055 52.964 53.050 -0.051 0.000 0.907 286 N CB -0.291 38.154 38.487 -0.070 0.000 0.977 286 N HN 0.111 nan 8.380 nan 0.000 0.449 287 A N 0.056 122.888 122.820 0.021 0.000 2.366 287 A HA 0.187 4.509 4.320 0.003 0.000 0.249 287 A C 1.230 178.750 177.584 -0.106 0.000 1.084 287 A CA -0.335 51.702 52.037 -0.000 0.000 0.794 287 A CB 0.256 19.293 19.000 0.063 0.000 1.034 287 A HN 0.194 nan 8.150 nan 0.000 0.491 288 L N 0.467 121.616 121.223 -0.123 0.000 2.042 288 L HA -0.099 4.243 4.340 0.003 0.000 0.210 288 L C 1.182 177.844 176.870 -0.346 0.000 1.076 288 L CA 1.629 56.368 54.840 -0.168 0.000 0.749 288 L CB -0.378 41.622 42.059 -0.098 0.000 0.893 288 L HN 0.847 nan 8.230 nan 0.000 0.432 289 N N -2.633 115.852 118.700 -0.357 0.000 3.261 289 N HA 0.238 4.979 4.740 0.003 0.000 0.248 289 N C -1.489 173.988 175.510 -0.054 0.000 1.498 289 N CA -0.413 52.402 53.050 -0.390 0.000 0.884 289 N CB 1.629 40.019 38.487 -0.163 0.000 1.428 289 N HN -0.300 nan 8.380 nan 0.000 0.517 290 T N 0.310 114.964 114.554 0.166 0.000 2.879 290 T HA 0.519 4.871 4.350 0.003 0.000 0.290 290 T C -0.871 173.923 174.700 0.158 0.000 0.993 290 T CA -0.365 61.903 62.100 0.279 0.000 0.975 290 T CB 1.388 70.557 68.868 0.502 0.000 0.981 290 T HN 0.197 nan 8.240 nan 0.000 0.439 291 V N 4.644 124.634 119.914 0.127 0.000 2.435 291 V HA 0.473 4.595 4.120 0.003 0.000 0.290 291 V C -0.254 175.892 176.094 0.086 0.000 1.030 291 V CA -0.845 61.510 62.300 0.091 0.000 0.881 291 V CB 1.486 33.367 31.823 0.097 0.000 0.983 291 V HN 0.715 nan 8.190 nan 0.000 0.445 292 L N 5.708 126.951 121.223 0.033 0.000 2.262 292 L HA 0.391 4.733 4.340 0.003 0.000 0.288 292 L C 1.016 177.853 176.870 -0.055 0.000 1.035 292 L CA -0.341 54.477 54.840 -0.036 0.000 0.820 292 L CB 1.255 43.268 42.059 -0.077 0.000 1.204 292 L HN 0.614 nan 8.230 nan 0.000 0.424 293 L N 2.327 123.501 121.223 -0.082 0.000 2.217 293 L HA -0.051 4.290 4.340 0.003 0.000 0.211 293 L C 0.734 177.518 176.870 -0.144 0.000 1.107 293 L CA 1.164 55.938 54.840 -0.110 0.000 0.783 293 L CB -0.114 41.857 42.059 -0.147 0.000 0.919 293 L HN 0.714 nan 8.230 nan 0.000 0.442 294 Q N -0.873 118.795 119.800 -0.219 0.000 3.122 294 Q HA 0.186 4.527 4.340 0.003 0.000 0.282 294 Q C -1.900 173.938 176.000 -0.270 0.000 0.947 294 Q CA -1.450 54.219 55.803 -0.223 0.000 0.812 294 Q CB 1.365 29.900 28.738 -0.337 0.000 1.333 294 Q HN 0.039 nan 8.270 nan 0.000 0.430 295 P HA -0.170 nan 4.420 nan 0.000 0.216 295 P C 0.339 177.483 177.300 -0.259 0.000 1.150 295 P CA 1.190 64.144 63.100 -0.244 0.000 0.837 295 P CB 0.120 31.636 31.700 -0.307 0.000 0.786 296 W N -0.425 120.861 121.300 -0.023 0.000 2.848 296 W HA -0.055 4.606 4.660 0.003 0.000 0.241 296 W C 1.568 178.123 176.519 0.060 0.000 1.289 296 W CA 0.737 58.113 57.345 0.052 0.000 1.396 296 W CB -0.640 28.901 29.460 0.134 0.000 1.138 296 W HN 0.296 nan 8.180 nan 0.000 0.677 297 H N -2.544 116.583 119.070 0.096 0.000 2.750 297 H HA 0.331 4.889 4.556 0.003 0.000 0.239 297 H C 0.111 175.461 175.328 0.036 0.000 1.210 297 H CA -0.232 55.843 56.048 0.043 0.000 0.936 297 H CB -0.504 29.250 29.762 -0.013 0.000 2.074 297 H HN 0.175 nan 8.280 nan 0.000 0.622 298 L N 1.358 122.554 121.223 -0.045 0.000 3.255 298 L HA 0.193 4.535 4.340 0.003 0.000 0.293 298 L C 1.043 177.913 176.870 -0.000 0.000 1.302 298 L CA -0.165 54.664 54.840 -0.018 0.000 0.977 298 L CB 0.929 42.904 42.059 -0.140 0.000 1.390 298 L HN 0.080 nan 8.230 nan 0.000 0.588 299 E N 0.862 121.071 120.200 0.014 0.000 2.051 299 E HA -0.229 4.123 4.350 0.003 0.000 0.192 299 E C 1.778 178.393 176.600 0.025 0.000 0.991 299 E CA 1.166 57.563 56.400 -0.005 0.000 0.799 299 E CB 0.249 29.955 29.700 0.010 0.000 0.748 299 E HN 0.394 nan 8.360 nan 0.000 0.449 300 K N 0.367 120.803 120.400 0.060 0.000 2.057 300 K HA -0.088 4.233 4.320 0.003 0.000 0.206 300 K C 2.154 178.806 176.600 0.088 0.000 1.050 300 K CA 1.570 57.896 56.287 0.066 0.000 0.935 300 K CB 0.012 32.551 32.500 0.065 0.000 0.715 300 K HN 0.018 nan 8.250 nan 0.000 0.439 301 T N 1.055 115.683 114.554 0.123 0.000 2.746 301 T HA -0.160 4.192 4.350 0.003 0.000 0.267 301 T C 1.705 176.457 174.700 0.088 0.000 1.039 301 T CA 1.402 63.602 62.100 0.167 0.000 1.142 301 T CB -0.083 68.943 68.868 0.263 0.000 0.866 301 T HN 0.300 nan 8.240 nan 0.000 0.444 302 K N 1.142 121.564 120.400 0.035 0.000 2.002 302 K HA -0.116 4.205 4.320 0.003 0.000 0.209 302 K C 2.318 178.907 176.600 -0.019 0.000 1.048 302 K CA 1.333 57.615 56.287 -0.008 0.000 0.930 302 K CB -0.064 32.411 32.500 -0.042 0.000 0.714 302 K HN 0.200 nan 8.250 nan 0.000 0.438 303 K N -0.340 120.060 120.400 -0.001 0.000 2.074 303 K HA -0.198 4.124 4.320 0.003 0.000 0.209 303 K C 2.052 178.635 176.600 -0.029 0.000 1.048 303 K CA 1.789 58.072 56.287 -0.008 0.000 0.926 303 K CB -0.273 32.238 32.500 0.018 0.000 0.713 303 K HN 0.163 nan 8.250 nan 0.000 0.444 304 F N 1.034 120.891 119.950 -0.155 0.000 2.163 304 F HA -0.156 4.372 4.527 0.003 0.000 0.297 304 F C 1.951 177.501 175.800 -0.416 0.000 1.094 304 F CA 0.902 58.752 58.000 -0.251 0.000 1.290 304 F CB -0.126 38.712 39.000 -0.270 0.000 1.017 304 F HN -0.286 nan 8.300 nan 0.000 0.483 305 V N 0.544 120.211 119.914 -0.411 0.000 2.407 305 V HA -0.259 3.863 4.120 0.003 0.000 0.248 305 V C 2.234 178.151 176.094 -0.294 0.000 1.055 305 V CA 2.213 64.169 62.300 -0.573 0.000 1.049 305 V CB -0.597 31.082 31.823 -0.239 0.000 0.662 305 V HN 0.355 nan 8.190 nan 0.000 0.455 306 E N 0.325 120.426 120.200 -0.164 0.000 2.008 306 E HA -0.107 4.245 4.350 0.003 0.000 0.191 306 E C 2.353 178.874 176.600 -0.133 0.000 0.986 306 E CA 1.226 57.579 56.400 -0.079 0.000 0.807 306 E CB -0.582 29.091 29.700 -0.045 0.000 0.766 306 E HN 0.591 nan 8.360 nan 0.000 0.450 307 G N 0.337 109.031 108.800 -0.177 0.000 2.432 307 G HA2 -0.231 3.731 3.960 0.003 0.000 0.219 307 G HA3 -0.231 3.731 3.960 0.003 0.000 0.219 307 G C 1.482 176.234 174.900 -0.247 0.000 1.135 307 G CA 1.506 46.503 45.100 -0.171 0.000 0.767 307 G HN 0.201 nan 8.290 nan 0.000 0.550 308 T N -1.362 112.906 114.554 -0.477 0.000 3.056 308 T HA 0.053 4.405 4.350 0.003 0.000 0.241 308 T C 1.688 176.260 174.700 -0.214 0.000 1.006 308 T CA 0.002 61.827 62.100 -0.459 0.000 1.115 308 T CB 0.017 68.306 68.868 -0.964 0.000 0.939 308 T HN 0.355 nan 8.240 nan 0.000 0.462 309 W N 2.092 123.106 121.300 -0.478 0.000 3.047 309 W HA 0.371 5.032 4.660 0.002 0.000 0.250 309 W C 0.356 176.706 176.519 -0.281 0.000 1.314 309 W CA -0.539 56.556 57.345 -0.415 0.000 1.540 309 W CB -0.370 28.699 29.460 -0.652 0.000 1.127 309 W HN 0.101 nan 8.180 nan 0.000 0.679 310 K N 0.102 120.509 120.400 0.011 0.000 3.096 310 K HA -0.256 4.066 4.320 0.003 0.000 0.266 310 K C -0.495 176.241 176.600 0.227 0.000 1.043 310 K CA 0.845 57.178 56.287 0.075 0.000 0.758 310 K CB -2.622 29.919 32.500 0.067 0.000 1.260 310 K HN 0.451 nan 8.250 nan 0.000 0.481 311 H N 0.561 119.684 119.070 0.088 0.000 2.489 311 H HA 0.200 4.757 4.556 0.003 0.000 0.322 311 H C 0.102 175.456 175.328 0.044 0.000 1.091 311 H CA -0.730 55.373 56.048 0.092 0.000 1.291 311 H CB 0.927 30.791 29.762 0.170 0.000 1.436 311 H HN 0.084 nan 8.280 nan 0.000 0.480 312 E N 3.148 123.417 120.200 0.114 0.000 1.861 312 E HA 0.093 4.445 4.350 0.003 0.000 0.263 312 E C -0.415 176.209 176.600 0.040 0.000 1.137 312 E CA -0.416 56.015 56.400 0.052 0.000 0.944 312 E CB 0.585 30.297 29.700 0.020 0.000 1.092 312 E HN 0.258 nan 8.360 nan 0.000 0.420 313 V N 5.094 125.038 119.914 0.050 0.000 2.475 313 V HA -0.008 4.114 4.120 0.003 0.000 0.292 313 V C -1.823 174.268 176.094 -0.006 0.000 1.003 313 V CA -1.117 61.204 62.300 0.034 0.000 1.120 313 V CB -0.251 31.589 31.823 0.028 0.000 0.937 313 V HN 0.506 nan 8.190 nan 0.000 0.476 314 P HA 0.085 nan 4.420 nan 0.000 0.265 314 P C -0.329 176.942 177.300 -0.048 0.000 1.193 314 P CA -0.247 62.833 63.100 -0.034 0.000 0.765 314 P CB 0.373 32.046 31.700 -0.044 0.000 0.823 315 K N 3.910 124.277 120.400 -0.055 0.000 2.171 315 K HA 0.249 4.571 4.320 0.003 0.000 0.274 315 K C -0.844 175.705 176.600 -0.085 0.000 1.110 315 K CA -0.056 56.185 56.287 -0.078 0.000 0.952 315 K CB -0.687 31.773 32.500 -0.067 0.000 1.309 315 K HN 0.445 nan 8.250 nan 0.000 0.414 316 L N 3.335 124.502 121.223 -0.093 0.000 2.362 316 L HA 0.382 4.724 4.340 0.003 0.000 0.271 316 L C -0.286 176.475 176.870 -0.182 0.000 1.002 316 L CA -1.182 53.599 54.840 -0.098 0.000 0.818 316 L CB 2.141 44.204 42.059 0.007 0.000 1.298 316 L HN 0.579 nan 8.230 nan 0.000 0.420 317 N N 1.198 119.682 118.700 -0.361 0.000 2.434 317 N HA 0.368 5.109 4.740 0.003 0.000 0.266 317 N C -0.166 175.171 175.510 -0.288 0.000 1.223 317 N CA -0.665 52.062 53.050 -0.538 0.000 0.972 317 N CB 1.078 38.642 38.487 -1.539 0.000 1.207 317 N HN 0.482 nan 8.380 nan 0.000 0.525 318 I N 2.258 122.738 120.570 -0.150 0.000 2.906 318 I HA -0.023 4.149 4.170 0.003 0.000 0.302 318 I C -1.802 174.332 176.117 0.028 0.000 1.220 318 I CA -1.069 60.217 61.300 -0.023 0.000 1.441 318 I CB 0.656 38.712 38.000 0.094 0.000 1.336 318 I HN 0.454 nan 8.210 nan 0.000 0.565 319 P HA 0.124 nan 4.420 nan 0.000 0.241 319 P C -0.896 176.326 177.300 -0.130 0.000 1.760 319 P CA 0.262 63.261 63.100 -0.169 0.000 1.081 319 P CB -0.002 31.310 31.700 -0.646 0.000 1.975 320 M N 1.460 121.091 119.600 0.052 0.000 2.393 320 M HA 0.588 5.069 4.480 0.003 0.000 0.316 320 M C 0.504 176.704 176.300 -0.166 0.000 1.087 320 M CA 0.200 55.445 55.300 -0.091 0.000 0.937 320 M CB 2.539 35.121 32.600 -0.029 0.000 1.668 320 M HN 0.415 nan 8.290 nan 0.000 0.438 321 G N 1.240 109.791 108.800 -0.416 0.000 2.757 321 G HA2 -0.197 3.765 3.960 0.003 0.000 0.638 321 G HA3 -0.197 3.765 3.960 0.003 0.000 0.638 321 G C -0.381 174.406 174.900 -0.187 0.000 1.344 321 G CA -0.282 44.573 45.100 -0.408 0.000 0.855 321 G HN 0.735 nan 8.290 nan 0.000 0.537 322 L N -0.333 120.881 121.223 -0.014 0.000 2.023 322 L HA 0.170 4.511 4.340 0.003 0.000 0.205 322 L C 2.463 179.401 176.870 0.114 0.000 1.073 322 L CA 2.912 57.819 54.840 0.112 0.000 0.745 322 L CB -0.662 41.477 42.059 0.133 0.000 0.900 322 L HN 0.643 nan 8.230 nan 0.000 0.435 323 D N -1.002 119.423 120.400 0.042 0.000 2.117 323 D HA -0.212 4.430 4.640 0.003 0.000 0.197 323 D C 1.968 178.441 176.300 0.289 0.000 0.987 323 D CA 1.302 55.375 54.000 0.121 0.000 0.829 323 D CB -0.342 40.498 40.800 0.065 0.000 0.961 323 D HN 0.433 nan 8.370 nan 0.000 0.460 324 W N 1.129 122.446 121.300 0.027 0.000 2.519 324 W HA 0.033 4.695 4.660 0.003 0.000 0.266 324 W C 2.180 178.693 176.519 -0.009 0.000 1.253 324 W CA 0.492 57.846 57.345 0.015 0.000 1.274 324 W CB -1.256 28.200 29.460 -0.007 0.000 1.114 324 W HN -0.050 nan 8.180 nan 0.000 0.596 325 T N -0.259 114.365 114.554 0.117 0.000 2.942 325 T HA -0.117 4.235 4.350 0.003 0.000 0.265 325 T C 1.233 175.975 174.700 0.071 0.000 1.062 325 T CA 1.414 63.476 62.100 -0.063 0.000 1.139 325 T CB -0.122 68.469 68.868 -0.462 0.000 0.883 325 T HN -0.025 nan 8.240 nan 0.000 0.468 326 D N 1.662 122.166 120.400 0.174 0.000 2.084 326 D HA -0.078 4.564 4.640 0.003 0.000 0.194 326 D C 2.178 178.577 176.300 0.164 0.000 0.990 326 D CA 1.057 55.179 54.000 0.204 0.000 0.826 326 D CB -0.244 40.672 40.800 0.194 0.000 0.971 326 D HN 0.488 nan 8.370 nan 0.000 0.453 327 E N -0.129 120.179 120.200 0.179 0.000 2.097 327 E HA -0.192 4.160 4.350 0.003 0.000 0.196 327 E C 1.991 178.660 176.600 0.115 0.000 1.000 327 E CA 0.609 57.091 56.400 0.137 0.000 0.804 327 E CB -0.245 29.546 29.700 0.153 0.000 0.740 327 E HN 0.223 nan 8.360 nan 0.000 0.454 328 F N 1.388 121.341 119.950 0.005 0.000 2.075 328 F HA -0.182 4.346 4.527 0.003 0.000 0.297 328 F C 1.967 177.749 175.800 -0.030 0.000 1.113 328 F CA 1.372 59.353 58.000 -0.032 0.000 1.218 328 F CB -0.125 38.840 39.000 -0.059 0.000 0.984 328 F HN -0.090 nan 8.300 nan 0.000 0.472 329 L N -0.516 120.751 121.223 0.073 0.000 2.141 329 L HA -0.237 4.105 4.340 0.003 0.000 0.209 329 L C 2.468 179.293 176.870 -0.075 0.000 1.094 329 L CA 1.297 56.122 54.840 -0.025 0.000 0.763 329 L CB -0.628 41.488 42.059 0.095 0.000 0.908 329 L HN 0.275 nan 8.230 nan 0.000 0.437 330 M N -0.518 119.065 119.600 -0.028 0.000 2.156 330 M HA -0.167 4.315 4.480 0.003 0.000 0.264 330 M C 2.320 178.575 176.300 -0.076 0.000 1.067 330 M CA 1.361 56.643 55.300 -0.029 0.000 1.131 330 M CB -0.245 32.361 32.600 0.009 0.000 1.368 330 M HN 0.003 nan 8.290 nan 0.000 0.416 331 K N 0.863 121.195 120.400 -0.113 0.000 2.026 331 K HA -0.084 4.238 4.320 0.003 0.000 0.208 331 K C 1.568 178.056 176.600 -0.186 0.000 1.048 331 K CA 1.463 57.669 56.287 -0.136 0.000 0.929 331 K CB -0.694 31.718 32.500 -0.148 0.000 0.713 331 K HN 0.115 nan 8.250 nan 0.000 0.439 332 V N 0.568 120.300 119.914 -0.304 0.000 2.332 332 V HA -0.250 3.871 4.120 0.003 0.000 0.248 332 V C 2.432 178.433 176.094 -0.156 0.000 1.055 332 V CA 2.099 64.225 62.300 -0.291 0.000 1.038 332 V CB -0.751 30.800 31.823 -0.453 0.000 0.651 332 V HN 0.556 nan 8.190 nan 0.000 0.450 333 S N -0.630 115.000 115.700 -0.117 0.000 2.365 333 S HA -0.319 4.152 4.470 0.003 0.000 0.225 333 S C 2.073 176.640 174.600 -0.055 0.000 1.039 333 S CA 2.345 60.506 58.200 -0.064 0.000 1.033 333 S CB -0.326 62.850 63.200 -0.041 0.000 0.887 333 S HN 0.740 nan 8.310 nan 0.000 0.447 334 E N 0.252 120.416 120.200 -0.060 0.000 2.033 334 E HA -0.176 4.176 4.350 0.003 0.000 0.199 334 E C 2.053 178.623 176.600 -0.051 0.000 1.011 334 E CA 1.939 58.310 56.400 -0.048 0.000 0.815 334 E CB -0.360 29.311 29.700 -0.049 0.000 0.755 334 E HN 0.711 nan 8.360 nan 0.000 0.451 335 I N 0.975 121.505 120.570 -0.067 0.000 2.226 335 I HA -0.251 3.920 4.170 0.003 0.000 0.245 335 I C 2.650 178.736 176.117 -0.052 0.000 1.100 335 I CA 1.445 62.707 61.300 -0.064 0.000 1.374 335 I CB -0.388 37.564 38.000 -0.081 0.000 1.057 335 I HN 0.189 nan 8.210 nan 0.000 0.413 336 S N 0.379 116.049 115.700 -0.050 0.000 2.496 336 S HA 0.136 4.608 4.470 0.003 0.000 0.224 336 S C 1.817 176.403 174.600 -0.023 0.000 0.996 336 S CA 0.426 58.607 58.200 -0.032 0.000 0.927 336 S CB 0.077 63.260 63.200 -0.027 0.000 0.774 336 S HN 0.626 nan 8.310 nan 0.000 0.524 337 G N 0.708 109.492 108.800 -0.026 0.000 2.155 337 G HA2 -0.221 3.741 3.960 0.003 0.000 0.257 337 G HA3 -0.221 3.741 3.960 0.003 0.000 0.257 337 G C -0.155 174.738 174.900 -0.013 0.000 0.983 337 G CA 0.190 45.278 45.100 -0.018 0.000 0.676 337 G HN 0.527 nan 8.290 nan 0.000 0.528 338 Q N 0.220 120.012 119.800 -0.014 0.000 2.241 338 Q HA 0.466 4.808 4.340 0.003 0.000 0.254 338 Q C -2.285 173.711 176.000 -0.007 0.000 0.917 338 Q CA -1.836 53.963 55.803 -0.007 0.000 0.919 338 Q CB 1.583 30.320 28.738 -0.002 0.000 1.237 338 Q HN 0.237 nan 8.270 nan 0.000 0.434 339 P HA 0.197 nan 4.420 nan 0.000 0.274 339 P C -0.258 177.048 177.300 0.010 0.000 1.237 339 P CA -0.252 62.850 63.100 0.004 0.000 0.793 339 P CB 0.606 32.310 31.700 0.006 0.000 0.977 340 I N 3.914 124.493 120.570 0.016 0.000 2.436 340 I HA 0.144 4.316 4.170 0.003 0.000 0.289 340 I C -1.482 174.654 176.117 0.031 0.000 1.083 340 I CA -1.744 59.574 61.300 0.031 0.000 1.372 340 I CB 0.333 38.360 38.000 0.044 0.000 1.408 340 I HN 0.244 nan 8.210 nan 0.000 0.516 341 P HA 0.076 nan 4.420 nan 0.000 0.272 341 P C 0.454 177.770 177.300 0.026 0.000 1.230 341 P CA -0.334 62.782 63.100 0.027 0.000 0.788 341 P CB 1.098 32.816 31.700 0.029 0.000 0.949 342 A N 2.370 125.200 122.820 0.017 0.000 1.986 342 A HA -0.213 4.109 4.320 0.003 0.000 0.220 342 A C 2.226 179.816 177.584 0.010 0.000 1.171 342 A CA 2.377 54.420 52.037 0.010 0.000 0.640 342 A CB -1.617 17.386 19.000 0.006 0.000 0.811 342 A HN 0.700 nan 8.150 nan 0.000 0.451 343 S N -0.195 115.516 115.700 0.018 0.000 2.383 343 S HA -0.033 4.438 4.470 0.003 0.000 0.227 343 S C 1.821 176.440 174.600 0.031 0.000 1.026 343 S CA 1.330 59.542 58.200 0.020 0.000 0.981 343 S CB -0.582 62.634 63.200 0.026 0.000 0.818 343 S HN 0.469 nan 8.310 nan 0.000 0.472 344 L N 1.107 122.363 121.223 0.055 0.000 2.131 344 L HA -0.031 4.310 4.340 0.003 0.000 0.206 344 L C 2.865 179.761 176.870 0.043 0.000 1.087 344 L CA 1.318 56.221 54.840 0.105 0.000 0.767 344 L CB -1.103 41.049 42.059 0.155 0.000 0.917 344 L HN 0.359 nan 8.230 nan 0.000 0.441 345 T N -0.417 114.144 114.554 0.012 0.000 2.708 345 T HA -0.248 4.103 4.350 0.003 0.000 0.266 345 T C 1.914 176.561 174.700 -0.089 0.000 1.037 345 T CA 1.400 63.478 62.100 -0.036 0.000 1.146 345 T CB -0.099 68.760 68.868 -0.014 0.000 0.865 345 T HN 0.225 nan 8.240 nan 0.000 0.435 346 K N 0.955 121.320 120.400 -0.058 0.000 2.032 346 K HA -0.192 4.130 4.320 0.003 0.000 0.209 346 K C 2.395 178.931 176.600 -0.107 0.000 1.048 346 K CA 1.716 57.964 56.287 -0.066 0.000 0.927 346 K CB -0.169 32.311 32.500 -0.034 0.000 0.712 346 K HN 0.409 nan 8.250 nan 0.000 0.441 347 E N 0.528 120.665 120.200 -0.104 0.000 2.118 347 E HA -0.254 4.097 4.350 0.003 0.000 0.195 347 E C 2.197 178.580 176.600 -0.361 0.000 0.992 347 E CA 1.114 57.438 56.400 -0.127 0.000 0.804 347 E CB -0.005 29.699 29.700 0.006 0.000 0.741 347 E HN 0.234 nan 8.360 nan 0.000 0.458 348 R N -0.381 119.713 120.500 -0.677 0.000 2.083 348 R HA -0.127 4.214 4.340 0.003 0.000 0.237 348 R C 2.373 178.419 176.300 -0.424 0.000 1.137 348 R CA 1.633 57.130 56.100 -1.005 0.000 0.951 348 R CB -0.540 29.265 30.300 -0.824 0.000 0.851 348 R HN 0.258 nan 8.270 nan 0.000 0.434 349 G N 0.376 109.021 108.800 -0.257 0.000 2.422 349 G HA2 -0.214 3.747 3.960 0.003 0.000 0.218 349 G HA3 -0.214 3.747 3.960 0.003 0.000 0.218 349 G C 1.370 176.206 174.900 -0.107 0.000 1.140 349 G CA 0.250 45.265 45.100 -0.142 0.000 0.775 349 G HN 0.295 nan 8.290 nan 0.000 0.545 350 R N -0.582 119.852 120.500 -0.111 0.000 2.090 350 R HA 0.079 4.420 4.340 0.003 0.000 0.228 350 R C 2.415 178.685 176.300 -0.051 0.000 1.110 350 R CA 0.794 56.855 56.100 -0.064 0.000 0.973 350 R CB -0.606 29.664 30.300 -0.050 0.000 0.869 350 R HN 0.393 nan 8.270 nan 0.000 0.440 351 L N 1.120 122.297 121.223 -0.077 0.000 2.046 351 L HA -0.126 4.215 4.340 0.003 0.000 0.208 351 L C 2.079 178.946 176.870 -0.005 0.000 1.077 351 L CA 1.578 56.405 54.840 -0.021 0.000 0.747 351 L CB -0.371 41.681 42.059 -0.013 0.000 0.896 351 L HN -0.141 nan 8.230 nan 0.000 0.432 352 V N 0.082 119.970 119.914 -0.042 0.000 2.515 352 V HA -0.272 3.850 4.120 0.003 0.000 0.250 352 V C 2.436 178.520 176.094 -0.016 0.000 1.058 352 V CA 1.939 64.225 62.300 -0.024 0.000 1.064 352 V CB -0.858 30.937 31.823 -0.046 0.000 0.675 352 V HN 0.610 nan 8.190 nan 0.000 0.461 353 D N -0.241 120.146 120.400 -0.021 0.000 2.117 353 D HA -0.186 4.456 4.640 0.003 0.000 0.197 353 D C 2.170 178.477 176.300 0.011 0.000 0.987 353 D CA 1.476 55.470 54.000 -0.009 0.000 0.829 353 D CB 0.073 40.864 40.800 -0.015 0.000 0.961 353 D HN 0.396 nan 8.370 nan 0.000 0.460 354 M N -0.279 119.332 119.600 0.017 0.000 2.175 354 M HA -0.129 4.353 4.480 0.003 0.000 0.264 354 M C 2.516 178.842 176.300 0.045 0.000 1.063 354 M CA 1.083 56.403 55.300 0.033 0.000 1.119 354 M CB -0.133 32.490 32.600 0.038 0.000 1.377 354 M HN 0.041 nan 8.290 nan 0.000 0.415 355 M N -0.315 119.308 119.600 0.039 0.000 2.108 355 M HA -0.175 4.306 4.480 0.003 0.000 0.261 355 M C 2.402 178.732 176.300 0.050 0.000 1.066 355 M CA 2.224 57.542 55.300 0.029 0.000 1.107 355 M CB -0.983 31.623 32.600 0.009 0.000 1.356 355 M HN 0.456 nan 8.290 nan 0.000 0.406 356 T N -1.980 112.594 114.554 0.033 0.000 2.821 356 T HA -0.130 4.222 4.350 0.003 0.000 0.267 356 T C 1.303 176.112 174.700 0.182 0.000 1.046 356 T CA 1.462 63.594 62.100 0.053 0.000 1.139 356 T CB -0.496 68.370 68.868 -0.004 0.000 0.871 356 T HN 0.279 nan 8.240 nan 0.000 0.454 357 D N 1.399 121.864 120.400 0.108 0.000 2.219 357 D HA 0.028 4.669 4.640 0.003 0.000 0.205 357 D C 1.916 178.275 176.300 0.099 0.000 0.970 357 D CA 0.982 55.039 54.000 0.094 0.000 0.851 357 D CB -0.167 40.670 40.800 0.062 0.000 0.943 357 D HN 0.451 nan 8.370 nan 0.000 0.488 358 S N -0.126 115.641 115.700 0.112 0.000 2.539 358 S HA -0.041 4.430 4.470 0.003 0.000 0.221 358 S C 1.615 176.276 174.600 0.101 0.000 0.987 358 S CA -0.456 57.813 58.200 0.115 0.000 0.929 358 S CB 0.030 63.285 63.200 0.091 0.000 0.832 358 S HN 0.452 nan 8.310 nan 0.000 0.492 359 H N 1.914 120.989 119.070 0.009 0.000 2.422 359 H HA -0.102 4.456 4.556 0.003 0.000 0.298 359 H C 1.977 177.302 175.328 -0.005 0.000 1.098 359 H CA 1.882 57.926 56.048 -0.006 0.000 1.315 359 H CB -1.124 28.619 29.762 -0.030 0.000 1.382 359 H HN 0.478 nan 8.280 nan 0.000 0.523 360 T N -2.850 111.330 114.554 -0.623 0.000 2.951 360 T HA -0.126 4.226 4.350 0.003 0.000 0.268 360 T C 1.865 176.344 174.700 -0.368 0.000 1.073 360 T CA 0.820 62.561 62.100 -0.598 0.000 1.134 360 T CB -0.699 67.708 68.868 -0.768 0.000 0.884 360 T HN 0.528 nan 8.240 nan 0.000 0.479 361 W N 0.672 121.918 121.300 -0.090 0.000 2.523 361 W HA 0.417 5.077 4.660 0.001 0.000 0.278 361 W C 2.035 178.559 176.519 0.008 0.000 1.236 361 W CA -0.483 56.844 57.345 -0.031 0.000 1.306 361 W CB -0.009 29.428 29.460 -0.038 0.000 1.101 361 W HN 0.173 nan 8.180 nan 0.000 0.577 362 L N -0.576 120.779 121.223 0.220 0.000 2.313 362 L HA -0.060 4.282 4.340 0.003 0.000 0.214 362 L C 1.376 178.317 176.870 0.118 0.000 1.119 362 L CA 0.428 55.356 54.840 0.147 0.000 0.809 362 L CB -0.813 41.280 42.059 0.057 0.000 0.933 362 L HN -0.012 nan 8.230 nan 0.000 0.449 363 H N 1.113 120.204 119.070 0.034 0.000 3.091 363 H HA 0.028 4.586 4.556 0.003 0.000 0.289 363 H C 1.052 176.422 175.328 0.070 0.000 0.995 363 H CA 1.057 57.123 56.048 0.030 0.000 1.461 363 H CB 0.514 30.300 29.762 0.040 0.000 1.510 363 H HN 0.360 nan 8.280 nan 0.000 0.546 364 G N 4.863 113.477 108.800 -0.309 0.000 2.159 364 G HA2 -0.240 3.722 3.960 0.003 0.000 0.256 364 G HA3 -0.240 3.722 3.960 0.003 0.000 0.256 364 G C 0.248 175.118 174.900 -0.049 0.000 0.977 364 G CA -0.029 44.977 45.100 -0.156 0.000 0.652 364 G HN 0.541 nan 8.290 nan 0.000 0.531 365 K N 0.657 121.041 120.400 -0.027 0.000 2.401 365 K HA 0.294 4.615 4.320 0.003 0.000 0.278 365 K C 0.813 177.249 176.600 -0.273 0.000 1.018 365 K CA -0.041 56.173 56.287 -0.121 0.000 0.981 365 K CB 0.625 33.088 32.500 -0.062 0.000 0.933 365 K HN 0.403 nan 8.250 nan 0.000 0.477 366 R N 2.374 122.632 120.500 -0.405 0.000 2.312 366 R HA 0.384 4.726 4.340 0.003 0.000 0.311 366 R C -0.585 175.366 176.300 -0.582 0.000 1.004 366 R CA -0.380 55.518 56.100 -0.337 0.000 0.902 366 R CB 0.614 30.790 30.300 -0.207 0.000 1.073 366 R HN 0.328 nan 8.270 nan 0.000 0.457 367 F N 0.671 120.631 119.950 0.018 0.000 2.563 367 F HA 0.612 5.140 4.527 0.002 0.000 0.316 367 F C 0.082 175.912 175.800 0.049 0.000 1.076 367 F CA -0.955 57.084 58.000 0.065 0.000 0.921 367 F CB 2.050 41.091 39.000 0.068 0.000 1.209 367 F HN 0.465 nan 8.300 nan 0.000 0.462 368 A N 3.812 126.830 122.820 0.331 0.000 2.337 368 A HA 0.934 5.255 4.320 0.003 0.000 0.329 368 A C -1.336 176.516 177.584 0.446 0.000 1.146 368 A CA -0.694 51.570 52.037 0.377 0.000 0.800 368 A CB 1.522 20.776 19.000 0.423 0.000 1.220 368 A HN 0.930 nan 8.150 nan 0.000 0.472 369 L N 1.043 122.558 121.223 0.486 0.000 2.582 369 L HA 0.933 5.275 4.340 0.003 0.000 0.257 369 L C -1.869 175.368 176.870 0.612 0.000 0.974 369 L CA -0.786 54.304 54.840 0.416 0.000 0.851 369 L CB 1.967 44.164 42.059 0.231 0.000 1.424 369 L HN 1.158 nan 8.230 nan 0.000 0.412 370 W N 2.233 123.695 121.300 0.269 0.000 2.988 370 W HA 0.936 5.598 4.660 0.003 0.000 0.355 370 W C -0.497 176.227 176.519 0.342 0.000 1.233 370 W CA -0.057 57.450 57.345 0.271 0.000 1.176 370 W CB 0.709 30.298 29.460 0.216 0.000 1.477 370 W HN 0.984 nan 8.180 nan 0.000 0.582 371 G N 0.213 109.337 108.800 0.540 0.000 2.332 371 G HA2 0.189 4.151 3.960 0.003 0.000 0.265 371 G HA3 0.189 4.151 3.960 0.003 0.000 0.265 371 G C -1.760 173.322 174.900 0.303 0.000 1.329 371 G CA -0.800 44.538 45.100 0.396 0.000 0.949 371 G HN 0.598 nan 8.290 nan 0.000 0.476 372 D N 1.639 122.190 120.400 0.252 0.000 2.329 372 D HA 0.418 5.059 4.640 0.003 0.000 0.246 372 D C -0.848 175.486 176.300 0.058 0.000 1.111 372 D CA -1.234 52.823 54.000 0.095 0.000 0.941 372 D CB 1.661 42.499 40.800 0.063 0.000 1.169 372 D HN 0.073 nan 8.370 nan 0.000 0.441 373 P HA -0.187 nan 4.420 nan 0.000 0.214 373 P C 0.614 177.969 177.300 0.091 0.000 1.163 373 P CA 1.394 64.168 63.100 -0.544 0.000 0.889 373 P CB 0.445 31.559 31.700 -0.977 0.000 0.790 374 D N -1.253 119.291 120.400 0.241 0.000 2.144 374 D HA -0.130 4.511 4.640 0.003 0.000 0.200 374 D C 1.943 178.442 176.300 0.333 0.000 0.978 374 D CA 0.763 54.973 54.000 0.350 0.000 0.833 374 D CB -0.574 40.404 40.800 0.297 0.000 0.961 374 D HN 0.123 nan 8.370 nan 0.000 0.470 375 F N 2.127 122.188 119.950 0.186 0.000 2.075 375 F HA -0.217 4.311 4.527 0.002 0.000 0.297 375 F C 2.245 178.159 175.800 0.190 0.000 1.113 375 F CA 1.100 59.197 58.000 0.161 0.000 1.218 375 F CB -0.541 38.542 39.000 0.138 0.000 0.984 375 F HN -0.269 nan 8.300 nan 0.000 0.472 376 V N 2.426 122.427 119.914 0.145 0.000 2.255 376 V HA -0.396 3.725 4.120 0.003 0.000 0.247 376 V C 2.656 178.842 176.094 0.154 0.000 1.051 376 V CA 2.481 64.849 62.300 0.114 0.000 1.018 376 V CB -0.893 31.152 31.823 0.371 0.000 0.641 376 V HN 0.629 nan 8.190 nan 0.000 0.445 377 M N 0.280 120.094 119.600 0.356 0.000 2.213 377 M HA -0.016 4.466 4.480 0.003 0.000 0.263 377 M C 2.043 178.498 176.300 0.258 0.000 1.062 377 M CA 2.460 57.932 55.300 0.286 0.000 1.105 377 M CB -1.188 31.621 32.600 0.348 0.000 1.385 377 M HN 0.221 nan 8.290 nan 0.000 0.417 378 G N 1.281 110.240 108.800 0.266 0.000 2.408 378 G HA2 -0.076 3.886 3.960 0.003 0.000 0.217 378 G HA3 -0.076 3.886 3.960 0.003 0.000 0.217 378 G C 1.583 176.401 174.900 -0.136 0.000 1.150 378 G CA 0.471 45.652 45.100 0.134 0.000 0.776 378 G HN 0.440 nan 8.290 nan 0.000 0.542 379 L N 0.265 121.344 121.223 -0.239 0.000 2.056 379 L HA -0.041 4.301 4.340 0.003 0.000 0.207 379 L C 2.980 179.747 176.870 -0.171 0.000 1.078 379 L CA 0.636 55.310 54.840 -0.276 0.000 0.749 379 L CB -0.179 41.593 42.059 -0.479 0.000 0.901 379 L HN 0.120 nan 8.230 nan 0.000 0.433 380 V N 0.233 120.073 119.914 -0.124 0.000 2.255 380 V HA -0.338 3.784 4.120 0.003 0.000 0.247 380 V C 2.532 178.535 176.094 -0.152 0.000 1.051 380 V CA 2.138 64.382 62.300 -0.093 0.000 1.018 380 V CB -0.510 31.291 31.823 -0.037 0.000 0.641 380 V HN 0.407 nan 8.190 nan 0.000 0.445 381 K N 0.041 120.292 120.400 -0.248 0.000 2.044 381 K HA -0.231 4.091 4.320 0.003 0.000 0.210 381 K C 1.943 178.380 176.600 -0.272 0.000 1.049 381 K CA 1.978 58.012 56.287 -0.422 0.000 0.927 381 K CB -0.719 31.135 32.500 -1.075 0.000 0.713 381 K HN 0.324 nan 8.250 nan 0.000 0.443 382 F N 0.911 120.629 119.950 -0.386 0.000 2.186 382 F HA -0.017 4.511 4.527 0.002 0.000 0.299 382 F C 1.616 177.264 175.800 -0.253 0.000 1.090 382 F CA 1.117 58.938 58.000 -0.298 0.000 1.307 382 F CB -0.312 38.528 39.000 -0.266 0.000 1.019 382 F HN 0.008 nan 8.300 nan 0.000 0.489 383 L N -0.563 120.491 121.223 -0.281 0.000 2.046 383 L HA -0.259 4.083 4.340 0.003 0.000 0.208 383 L C 2.471 179.163 176.870 -0.297 0.000 1.077 383 L CA 1.221 55.852 54.840 -0.348 0.000 0.747 383 L CB -0.773 41.142 42.059 -0.239 0.000 0.896 383 L HN 0.177 nan 8.230 nan 0.000 0.432 384 L N -0.581 120.514 121.223 -0.213 0.000 2.093 384 L HA -0.197 4.145 4.340 0.003 0.000 0.208 384 L C 2.363 179.081 176.870 -0.254 0.000 1.085 384 L CA 1.242 55.976 54.840 -0.176 0.000 0.755 384 L CB -0.499 41.513 42.059 -0.077 0.000 0.904 384 L HN 0.278 nan 8.230 nan 0.000 0.435 385 E N 0.106 120.163 120.200 -0.239 0.000 2.268 385 E HA -0.132 4.219 4.350 0.003 0.000 0.195 385 E C 2.056 178.480 176.600 -0.294 0.000 0.995 385 E CA 0.691 56.968 56.400 -0.205 0.000 0.836 385 E CB 0.024 29.665 29.700 -0.098 0.000 0.763 385 E HN 0.500 nan 8.360 nan 0.000 0.491 386 L N -0.482 120.476 121.223 -0.440 0.000 2.558 386 L HA 0.150 4.492 4.340 0.003 0.000 0.225 386 L C 1.203 177.847 176.870 -0.376 0.000 1.128 386 L CA 0.307 54.893 54.840 -0.424 0.000 0.868 386 L CB 0.079 41.798 42.059 -0.568 0.000 1.006 386 L HN 0.277 nan 8.230 nan 0.000 0.454 387 G N -0.281 108.159 108.800 -0.600 0.000 2.137 387 G HA2 -0.237 3.725 3.960 0.003 0.000 0.237 387 G HA3 -0.237 3.725 3.960 0.003 0.000 0.237 387 G C 0.086 174.482 174.900 -0.839 0.000 1.002 387 G CA -0.009 44.425 45.100 -1.110 0.000 0.702 387 G HN 0.331 nan 8.290 nan 0.000 0.515 388 C N -0.198 118.840 119.300 -0.438 0.000 2.349 388 C HA 0.738 5.200 4.460 0.003 0.000 0.361 388 C C 0.512 175.513 174.990 0.018 0.000 1.189 388 C CA -0.760 58.206 59.018 -0.087 0.000 2.155 388 C CB 1.577 29.394 27.740 0.129 0.000 2.336 388 C HN 0.536 nan 8.230 nan 0.000 0.540 389 E N 1.593 121.871 120.200 0.131 0.000 2.129 389 E HA 0.241 4.593 4.350 0.003 0.000 0.268 389 E C -2.438 174.254 176.600 0.154 0.000 0.900 389 E CA -1.400 55.078 56.400 0.129 0.000 0.755 389 E CB 1.200 30.950 29.700 0.083 0.000 1.117 389 E HN 0.385 nan 8.360 nan 0.000 0.410 390 P HA 0.010 nan 4.420 nan 0.000 0.230 390 P C 0.700 178.062 177.300 0.104 0.000 1.791 390 P CA 0.049 63.230 63.100 0.135 0.000 1.020 390 P CB 0.170 31.918 31.700 0.079 0.000 1.977 391 V N 0.332 120.270 119.914 0.039 0.000 2.332 391 V HA -0.176 3.946 4.120 0.003 0.000 0.248 391 V C 0.871 177.008 176.094 0.071 0.000 1.055 391 V CA 1.728 63.994 62.300 -0.057 0.000 1.038 391 V CB -0.964 30.691 31.823 -0.281 0.000 0.651 391 V HN 0.491 nan 8.190 nan 0.000 0.450 392 H N -0.721 118.487 119.070 0.230 0.000 2.708 392 H HA 0.556 5.113 4.556 0.003 0.000 0.320 392 H C -0.611 174.922 175.328 0.343 0.000 0.991 392 H CA -0.959 55.281 56.048 0.319 0.000 1.243 392 H CB 0.912 30.818 29.762 0.240 0.000 1.446 392 H HN 0.213 nan 8.280 nan 0.000 0.502 393 I N 4.612 125.481 120.570 0.498 0.000 2.354 393 I HA 0.216 4.388 4.170 0.003 0.000 0.286 393 I C -0.353 176.076 176.117 0.521 0.000 1.007 393 I CA -0.406 61.146 61.300 0.419 0.000 1.167 393 I CB 1.661 39.825 38.000 0.273 0.000 1.320 393 I HN 0.229 nan 8.210 nan 0.000 0.458 394 L N 7.077 128.593 121.223 0.489 0.000 2.346 394 L HA 0.678 5.020 4.340 0.003 0.000 0.276 394 L C -1.127 175.973 176.870 0.382 0.000 1.006 394 L CA -0.216 54.879 54.840 0.425 0.000 0.817 394 L CB 1.835 44.061 42.059 0.278 0.000 1.272 394 L HN 0.757 nan 8.230 nan 0.000 0.421 395 C N 3.759 123.233 119.300 0.290 0.000 2.789 395 C HA 0.299 4.760 4.460 0.003 0.000 0.324 395 C C 1.174 176.242 174.990 0.130 0.000 1.042 395 C CA -0.498 58.602 59.018 0.136 0.000 1.396 395 C CB -0.086 27.538 27.740 -0.193 0.000 1.870 395 C HN 1.111 nan 8.230 nan 0.000 0.470 396 H N 3.555 122.660 119.070 0.057 0.000 2.387 396 H HA -0.098 4.459 4.556 0.003 0.000 0.299 396 H C 1.414 176.737 175.328 -0.009 0.000 1.099 396 H CA 2.049 58.117 56.048 0.033 0.000 1.315 396 H CB 0.486 30.269 29.762 0.035 0.000 1.380 396 H HN 0.802 nan 8.280 nan 0.000 0.513 397 N N 0.278 119.009 118.700 0.052 0.000 2.320 397 N HA 0.110 4.851 4.740 0.003 0.000 0.237 397 N C 0.157 175.581 175.510 -0.143 0.000 1.129 397 N CA 0.234 53.242 53.050 -0.070 0.000 0.854 397 N CB 0.165 38.562 38.487 -0.150 0.000 1.083 397 N HN 0.199 nan 8.380 nan 0.000 0.504 398 G N 0.409 109.107 108.800 -0.171 0.000 2.504 398 G HA2 0.411 4.373 3.960 0.003 0.000 0.288 398 G HA3 0.411 4.373 3.960 0.003 0.000 0.288 398 G C -0.212 174.689 174.900 0.001 0.000 1.182 398 G CA -0.591 44.326 45.100 -0.306 0.000 0.894 398 G HN 0.523 nan 8.290 nan 0.000 0.521 399 N N -1.248 117.516 118.700 0.106 0.000 2.453 399 N HA 0.274 5.016 4.740 0.003 0.000 0.290 399 N C 0.770 176.415 175.510 0.225 0.000 1.250 399 N CA -1.021 52.131 53.050 0.171 0.000 0.815 399 N CB 1.723 40.319 38.487 0.182 0.000 1.381 399 N HN 0.364 nan 8.380 nan 0.000 0.510 400 K N -0.042 120.460 120.400 0.169 0.000 2.127 400 K HA -0.150 4.171 4.320 0.003 0.000 0.208 400 K C 1.471 178.151 176.600 0.134 0.000 1.047 400 K CA 1.555 57.924 56.287 0.136 0.000 0.927 400 K CB -0.144 32.420 32.500 0.107 0.000 0.716 400 K HN 0.489 nan 8.250 nan 0.000 0.450 401 R N -0.735 119.884 120.500 0.197 0.000 2.092 401 R HA -0.153 4.188 4.340 0.003 0.000 0.231 401 R C 2.066 178.432 176.300 0.111 0.000 1.119 401 R CA 1.422 57.661 56.100 0.232 0.000 0.970 401 R CB -0.307 30.238 30.300 0.408 0.000 0.864 401 R HN 0.372 nan 8.270 nan 0.000 0.440 402 W N 2.535 123.679 121.300 -0.259 0.000 2.379 402 W HA -0.168 4.493 4.660 0.002 0.000 0.307 402 W C 2.165 178.450 176.519 -0.391 0.000 1.200 402 W CA 1.353 58.204 57.345 -0.824 0.000 1.297 402 W CB -0.048 28.935 29.460 -0.796 0.000 1.140 402 W HN -0.111 nan 8.180 nan 0.000 0.507 403 K N 0.763 121.089 120.400 -0.123 0.000 2.103 403 K HA -0.228 4.094 4.320 0.003 0.000 0.207 403 K C 2.091 178.522 176.600 -0.282 0.000 1.048 403 K CA 1.777 57.917 56.287 -0.244 0.000 0.930 403 K CB -0.278 32.232 32.500 0.016 0.000 0.716 403 K HN 0.078 nan 8.250 nan 0.000 0.444 404 K N 0.028 120.330 120.400 -0.163 0.000 2.002 404 K HA -0.128 4.194 4.320 0.003 0.000 0.209 404 K C 2.205 178.706 176.600 -0.165 0.000 1.048 404 K CA 1.286 57.504 56.287 -0.115 0.000 0.930 404 K CB -0.239 32.247 32.500 -0.024 0.000 0.714 404 K HN 0.251 nan 8.250 nan 0.000 0.438 405 A N 0.960 123.650 122.820 -0.217 0.000 1.917 405 A HA -0.164 4.158 4.320 0.003 0.000 0.219 405 A C 2.336 179.755 177.584 -0.274 0.000 1.182 405 A CA 1.788 53.710 52.037 -0.191 0.000 0.633 405 A CB -0.706 18.177 19.000 -0.195 0.000 0.819 405 A HN 0.112 nan 8.150 nan 0.000 0.448 406 V N 0.320 119.915 119.914 -0.533 0.000 2.379 406 V HA -0.180 3.942 4.120 0.003 0.000 0.245 406 V C 2.053 177.989 176.094 -0.264 0.000 1.044 406 V CA 2.021 64.040 62.300 -0.468 0.000 1.036 406 V CB -0.765 30.559 31.823 -0.831 0.000 0.664 406 V HN 0.477 nan 8.190 nan 0.000 0.453 407 D N 0.696 120.950 120.400 -0.244 0.000 2.178 407 D HA -0.118 4.524 4.640 0.003 0.000 0.201 407 D C 2.177 178.422 176.300 -0.092 0.000 0.980 407 D CA 1.571 55.483 54.000 -0.146 0.000 0.842 407 D CB -0.129 40.594 40.800 -0.127 0.000 0.948 407 D HN 0.458 nan 8.370 nan 0.000 0.472 408 A N 0.356 123.127 122.820 -0.081 0.000 2.014 408 A HA -0.065 4.256 4.320 0.003 0.000 0.218 408 A C 2.308 179.887 177.584 -0.009 0.000 1.163 408 A CA 0.521 52.539 52.037 -0.032 0.000 0.652 408 A CB -0.444 18.548 19.000 -0.013 0.000 0.808 408 A HN 0.173 nan 8.150 nan 0.000 0.449 409 I N -0.391 120.170 120.570 -0.014 0.000 2.286 409 I HA -0.217 3.955 4.170 0.003 0.000 0.245 409 I C 2.296 178.410 176.117 -0.005 0.000 1.104 409 I CA 0.888 62.201 61.300 0.022 0.000 1.397 409 I CB -0.254 37.773 38.000 0.046 0.000 1.072 409 I HN 0.283 nan 8.210 nan 0.000 0.417 410 L N 0.521 121.725 121.223 -0.033 0.000 2.017 410 L HA -0.202 4.140 4.340 0.003 0.000 0.208 410 L C 2.871 179.732 176.870 -0.015 0.000 1.073 410 L CA 1.368 56.193 54.840 -0.025 0.000 0.745 410 L CB -0.827 41.207 42.059 -0.042 0.000 0.894 410 L HN 0.234 nan 8.230 nan 0.000 0.432 411 A N 0.183 122.991 122.820 -0.021 0.000 1.986 411 A HA -0.176 4.145 4.320 0.003 0.000 0.220 411 A C 2.262 179.843 177.584 -0.006 0.000 1.171 411 A CA 1.754 53.781 52.037 -0.017 0.000 0.640 411 A CB -0.622 18.368 19.000 -0.017 0.000 0.811 411 A HN 0.421 nan 8.150 nan 0.000 0.451 412 A N -1.375 121.448 122.820 0.005 0.000 2.276 412 A HA 0.454 4.775 4.320 0.003 0.000 0.212 412 A C 0.878 178.473 177.584 0.019 0.000 1.230 412 A CA 0.846 52.892 52.037 0.015 0.000 0.844 412 A CB -0.371 18.646 19.000 0.029 0.000 0.860 412 A HN 0.482 nan 8.150 nan 0.000 0.486 413 S N -1.346 114.364 115.700 0.017 0.000 2.548 413 S HA 0.537 5.008 4.470 0.003 0.000 0.276 413 S C -2.533 172.060 174.600 -0.011 0.000 1.129 413 S CA -1.094 57.129 58.200 0.039 0.000 0.931 413 S CB 1.625 64.881 63.200 0.094 0.000 1.068 413 S HN -0.028 nan 8.310 nan 0.000 0.480 414 P HA -0.044 nan 4.420 nan 0.000 0.219 414 P C 0.287 177.395 177.300 -0.320 0.000 1.146 414 P CA 1.108 64.065 63.100 -0.237 0.000 0.808 414 P CB -0.041 31.453 31.700 -0.343 0.000 0.779 415 Y N -1.250 119.027 120.300 -0.038 0.000 2.561 415 Y HA 0.130 4.682 4.550 0.003 0.000 0.291 415 Y C 2.483 178.358 175.900 -0.042 0.000 1.141 415 Y CA 1.039 59.108 58.100 -0.052 0.000 1.303 415 Y CB -1.032 37.389 38.460 -0.067 0.000 1.015 415 Y HN -0.038 nan 8.280 nan 0.000 0.547 416 G N -0.879 107.958 108.800 0.061 0.000 2.880 416 G HA2 -0.097 3.864 3.960 0.003 0.000 0.209 416 G HA3 -0.097 3.864 3.960 0.003 0.000 0.209 416 G C 1.557 176.455 174.900 -0.002 0.000 1.157 416 G CA 0.061 45.177 45.100 0.027 0.000 0.779 416 G HN 0.139 nan 8.290 nan 0.000 0.539 417 K N 1.147 121.532 120.400 -0.025 0.000 2.218 417 K HA -0.050 4.272 4.320 0.003 0.000 0.205 417 K C 1.495 178.083 176.600 -0.021 0.000 1.046 417 K CA 0.962 57.228 56.287 -0.034 0.000 0.933 417 K CB 0.012 32.477 32.500 -0.058 0.000 0.728 417 K HN 0.302 nan 8.250 nan 0.000 0.454 418 N N -0.460 118.234 118.700 -0.009 0.000 2.234 418 N HA 0.139 4.881 4.740 0.003 0.000 0.227 418 N C -0.737 174.786 175.510 0.022 0.000 1.151 418 N CA 0.031 53.082 53.050 0.002 0.000 0.865 418 N CB 1.082 39.567 38.487 -0.004 0.000 1.066 418 N HN 0.000 nan 8.380 nan 0.000 0.515 419 A N 0.682 123.514 122.820 0.020 0.000 2.306 419 A HA 0.675 4.997 4.320 0.003 0.000 0.314 419 A C 0.008 177.602 177.584 0.017 0.000 1.164 419 A CA -0.041 52.021 52.037 0.041 0.000 0.822 419 A CB 0.830 19.850 19.000 0.033 0.000 1.130 419 A HN 0.009 nan 8.150 nan 0.000 0.496 420 T N 1.341 115.918 114.554 0.038 0.000 2.886 420 T HA 0.505 4.857 4.350 0.003 0.000 0.292 420 T C -0.593 173.951 174.700 -0.260 0.000 1.012 420 T CA -0.395 61.613 62.100 -0.153 0.000 0.982 420 T CB 1.471 70.211 68.868 -0.214 0.000 1.018 420 T HN 0.448 nan 8.240 nan 0.000 0.451 421 V N 3.416 123.130 119.914 -0.332 0.000 2.481 421 V HA 0.457 4.578 4.120 0.003 0.000 0.286 421 V C -1.186 174.692 176.094 -0.360 0.000 1.042 421 V CA -0.692 61.498 62.300 -0.183 0.000 0.928 421 V CB 0.577 32.328 31.823 -0.119 0.000 0.986 421 V HN 0.821 nan 8.190 nan 0.000 0.462 422 Y N 4.961 125.370 120.300 0.182 0.000 2.326 422 Y HA 0.668 5.219 4.550 0.002 0.000 0.331 422 Y C 0.246 176.243 175.900 0.161 0.000 0.962 422 Y CA -0.782 57.406 58.100 0.146 0.000 1.167 422 Y CB 1.499 40.032 38.460 0.122 0.000 1.148 422 Y HN 0.616 nan 8.280 nan 0.000 0.463 423 I N -1.113 119.609 120.570 0.253 0.000 2.607 423 I HA 0.884 5.056 4.170 0.003 0.000 0.305 423 I C 0.998 177.198 176.117 0.139 0.000 0.995 423 I CA -0.823 60.602 61.300 0.209 0.000 1.148 423 I CB 1.924 40.052 38.000 0.214 0.000 1.323 423 I HN 0.736 nan 8.210 nan 0.000 0.461 424 G N 2.779 111.666 108.800 0.145 0.000 2.189 424 G HA2 -0.266 3.696 3.960 0.003 0.000 0.267 424 G HA3 -0.266 3.696 3.960 0.003 0.000 0.267 424 G C 0.096 174.956 174.900 -0.067 0.000 0.975 424 G CA 0.403 45.589 45.100 0.143 0.000 0.644 424 G HN 0.668 nan 8.290 nan 0.000 0.537 425 K N 0.962 121.256 120.400 -0.178 0.000 2.095 425 K HA 0.624 4.945 4.320 0.003 0.000 0.252 425 K C 0.263 176.562 176.600 -0.503 0.000 0.977 425 K CA -0.194 55.884 56.287 -0.348 0.000 0.900 425 K CB 1.129 33.397 32.500 -0.388 0.000 1.060 425 K HN 0.453 nan 8.250 nan 0.000 0.449 426 D N -0.800 119.415 120.400 -0.307 0.000 2.654 426 D HA 0.229 4.870 4.640 0.003 0.000 0.255 426 D C 0.567 176.735 176.300 -0.220 0.000 1.101 426 D CA -0.686 53.103 54.000 -0.352 0.000 1.116 426 D CB 0.325 40.950 40.800 -0.292 0.000 1.348 426 D HN 0.244 nan 8.370 nan 0.000 0.609 427 L N -0.754 120.336 121.223 -0.223 0.000 2.465 427 L HA 0.057 4.398 4.340 0.003 0.000 0.224 427 L C 1.567 178.366 176.870 -0.117 0.000 1.145 427 L CA 0.270 54.942 54.840 -0.279 0.000 0.834 427 L CB -0.203 41.654 42.059 -0.337 0.000 0.944 427 L HN 0.482 nan 8.230 nan 0.000 0.451 428 W N 0.231 121.383 121.300 -0.248 0.000 2.584 428 W HA -0.102 4.559 4.660 0.003 0.000 0.264 428 W C 2.309 178.711 176.519 -0.194 0.000 1.264 428 W CA 0.745 57.971 57.345 -0.199 0.000 1.306 428 W CB 0.007 29.332 29.460 -0.224 0.000 1.110 428 W HN 0.293 nan 8.180 nan 0.000 0.606 429 H N 0.197 119.150 119.070 -0.195 0.000 2.326 429 H HA -0.158 4.399 4.556 0.003 0.000 0.301 429 H C 2.196 177.374 175.328 -0.250 0.000 1.081 429 H CA 1.691 57.522 56.048 -0.361 0.000 1.334 429 H CB -0.765 28.573 29.762 -0.707 0.000 1.385 429 H HN 0.163 nan 8.280 nan 0.000 0.504 430 L N 1.242 122.365 121.223 -0.166 0.000 2.083 430 L HA -0.120 4.222 4.340 0.003 0.000 0.209 430 L C 2.696 179.429 176.870 -0.228 0.000 1.083 430 L CA 1.303 56.016 54.840 -0.213 0.000 0.752 430 L CB -0.462 41.438 42.059 -0.264 0.000 0.899 430 L HN 0.033 nan 8.230 nan 0.000 0.433 431 R N -1.062 119.265 120.500 -0.288 0.000 2.096 431 R HA -0.189 4.153 4.340 0.003 0.000 0.240 431 R C 2.266 178.418 176.300 -0.247 0.000 1.139 431 R CA 1.975 57.863 56.100 -0.354 0.000 0.952 431 R CB -0.345 29.612 30.300 -0.571 0.000 0.854 431 R HN 0.421 nan 8.270 nan 0.000 0.436 432 S N 0.929 116.519 115.700 -0.184 0.000 2.356 432 S HA -0.106 4.365 4.470 0.003 0.000 0.223 432 S C 1.924 176.493 174.600 -0.051 0.000 1.032 432 S CA 1.218 59.406 58.200 -0.020 0.000 1.005 432 S CB -0.200 63.021 63.200 0.035 0.000 0.867 432 S HN 0.293 nan 8.310 nan 0.000 0.449 433 L N 1.577 122.706 121.223 -0.156 0.000 2.187 433 L HA -0.082 4.260 4.340 0.003 0.000 0.213 433 L C 2.276 179.026 176.870 -0.200 0.000 1.100 433 L CA 0.929 55.569 54.840 -0.333 0.000 0.765 433 L CB -0.780 40.850 42.059 -0.714 0.000 0.904 433 L HN 0.339 nan 8.230 nan 0.000 0.437 434 V N -5.738 114.092 119.914 -0.141 0.000 3.461 434 V HA -0.029 4.092 4.120 0.003 0.000 0.267 434 V C 1.993 177.987 176.094 -0.167 0.000 1.186 434 V CA 0.681 62.938 62.300 -0.072 0.000 1.154 434 V CB -0.598 31.142 31.823 -0.138 0.000 0.802 434 V HN 0.120 nan 8.190 nan 0.000 0.474 435 F N 2.650 122.544 119.950 -0.094 0.000 2.220 435 F HA 0.070 4.599 4.527 0.003 0.000 0.290 435 F C 2.799 178.528 175.800 -0.117 0.000 1.080 435 F CA 1.880 59.796 58.000 -0.140 0.000 1.318 435 F CB -0.821 38.033 39.000 -0.243 0.000 1.063 435 F HN 0.334 nan 8.300 nan 0.000 0.498 436 T N -3.732 110.880 114.554 0.097 0.000 3.054 436 T HA -0.004 4.347 4.350 0.003 0.000 0.259 436 T C 0.459 175.187 174.700 0.046 0.000 1.092 436 T CA 0.853 62.969 62.100 0.027 0.000 1.121 436 T CB -0.015 68.836 68.868 -0.028 0.000 0.912 436 T HN 0.003 nan 8.240 nan 0.000 0.489 437 D N 1.035 121.491 120.400 0.093 0.000 2.552 437 D HA 0.200 4.842 4.640 0.003 0.000 0.285 437 D C -0.709 175.704 176.300 0.188 0.000 1.206 437 D CA -0.522 53.568 54.000 0.150 0.000 0.826 437 D CB 0.454 41.398 40.800 0.240 0.000 1.179 437 D HN 0.267 nan 8.370 nan 0.000 0.508 438 K N 2.705 123.166 120.400 0.102 0.000 2.430 438 K HA 0.087 4.409 4.320 0.003 0.000 0.280 438 K C -2.150 174.448 176.600 -0.004 0.000 1.063 438 K CA -0.654 55.669 56.287 0.059 0.000 1.071 438 K CB 0.596 33.138 32.500 0.070 0.000 0.899 438 K HN 0.216 nan 8.250 nan 0.000 0.473 439 P HA 0.160 nan 4.420 nan 0.000 0.297 439 P C -0.429 176.757 177.300 -0.190 0.000 1.307 439 P CA -0.320 62.700 63.100 -0.132 0.000 0.773 439 P CB 0.815 32.439 31.700 -0.128 0.000 1.265 440 D N -1.308 118.918 120.400 -0.290 0.000 2.216 440 D HA 0.116 4.757 4.640 0.003 0.000 0.208 440 D C 0.212 176.040 176.300 -0.787 0.000 0.960 440 D CA 1.484 55.202 54.000 -0.470 0.000 0.861 440 D CB 0.053 40.644 40.800 -0.349 0.000 0.985 440 D HN 0.281 nan 8.370 nan 0.000 0.493 441 F N -0.569 119.274 119.950 -0.180 0.000 2.626 441 F HA 0.430 4.958 4.527 0.002 0.000 0.311 441 F C -0.193 175.715 175.800 0.181 0.000 1.088 441 F CA -0.996 57.023 58.000 0.031 0.000 0.949 441 F CB 1.572 40.665 39.000 0.155 0.000 1.322 441 F HN -0.432 nan 8.300 nan 0.000 0.461 442 M N 2.912 122.754 119.600 0.402 0.000 2.404 442 M HA 0.573 5.055 4.480 0.003 0.000 0.338 442 M C -1.174 175.290 176.300 0.273 0.000 1.150 442 M CA -0.435 55.092 55.300 0.378 0.000 1.016 442 M CB 2.119 34.973 32.600 0.424 0.000 1.672 442 M HN 0.354 nan 8.290 nan 0.000 0.448 443 I N 1.899 122.549 120.570 0.133 0.000 2.382 443 I HA 0.768 4.939 4.170 0.003 0.000 0.286 443 I C 0.219 176.090 176.117 -0.411 0.000 1.002 443 I CA -0.239 61.031 61.300 -0.051 0.000 1.135 443 I CB 1.587 39.558 38.000 -0.049 0.000 1.288 443 I HN 0.880 nan 8.210 nan 0.000 0.448 444 G N 4.529 112.980 108.800 -0.582 0.000 2.548 444 G HA2 0.277 4.238 3.960 0.003 0.000 0.301 444 G HA3 0.277 4.238 3.960 0.003 0.000 0.301 444 G C -1.582 172.972 174.900 -0.578 0.000 1.349 444 G CA -0.709 43.630 45.100 -1.268 0.000 0.792 444 G HN 0.550 nan 8.290 nan 0.000 0.481 445 N N -1.115 117.320 118.700 -0.442 0.000 2.418 445 N HA 0.308 5.049 4.740 0.003 0.000 0.283 445 N C 1.167 176.624 175.510 -0.087 0.000 1.267 445 N CA 0.155 53.082 53.050 -0.205 0.000 0.975 445 N CB 0.707 39.079 38.487 -0.191 0.000 1.167 445 N HN 0.232 nan 8.380 nan 0.000 0.581 446 S N -1.262 114.270 115.700 -0.279 0.000 2.469 446 S HA -0.091 4.381 4.470 0.003 0.000 0.238 446 S C 1.083 175.620 174.600 -0.105 0.000 0.998 446 S CA 0.642 58.702 58.200 -0.232 0.000 0.957 446 S CB -0.710 62.282 63.200 -0.345 0.000 0.764 446 S HN 0.498 nan 8.310 nan 0.000 0.514 447 Y N 1.725 122.121 120.300 0.159 0.000 2.403 447 Y HA 0.022 4.574 4.550 0.003 0.000 0.291 447 Y C 2.504 178.596 175.900 0.320 0.000 1.143 447 Y CA 0.105 58.380 58.100 0.292 0.000 1.257 447 Y CB -1.169 37.451 38.460 0.266 0.000 0.984 447 Y HN 0.328 nan 8.280 nan 0.000 0.550 448 G N 0.682 109.813 108.800 0.552 0.000 2.498 448 G HA2 -0.262 3.700 3.960 0.003 0.000 0.219 448 G HA3 -0.262 3.700 3.960 0.003 0.000 0.219 448 G C 1.722 176.765 174.900 0.240 0.000 1.119 448 G CA 0.893 46.311 45.100 0.530 0.000 0.766 448 G HN 0.540 nan 8.290 nan 0.000 0.552 449 K N -0.439 119.981 120.400 0.033 0.000 2.209 449 K HA -0.030 4.291 4.320 0.003 0.000 0.204 449 K C 1.825 178.339 176.600 -0.144 0.000 1.048 449 K CA 1.035 57.236 56.287 -0.144 0.000 0.940 449 K CB -0.454 31.827 32.500 -0.366 0.000 0.729 449 K HN 0.255 nan 8.250 nan 0.000 0.451 450 F N 1.792 121.831 119.950 0.148 0.000 2.325 450 F HA 0.081 4.610 4.527 0.003 0.000 0.299 450 F C 2.096 177.965 175.800 0.116 0.000 1.090 450 F CA 0.441 58.523 58.000 0.136 0.000 1.392 450 F CB -0.259 38.839 39.000 0.163 0.000 1.053 450 F HN -0.088 nan 8.300 nan 0.000 0.521 451 I N -0.499 120.213 120.570 0.235 0.000 2.286 451 I HA -0.269 3.902 4.170 0.003 0.000 0.245 451 I C 2.546 178.692 176.117 0.049 0.000 1.104 451 I CA 1.171 62.524 61.300 0.089 0.000 1.397 451 I CB -0.557 37.455 38.000 0.020 0.000 1.072 451 I HN 0.151 nan 8.210 nan 0.000 0.417 452 Q N 1.128 120.972 119.800 0.073 0.000 2.096 452 Q HA -0.261 4.080 4.340 0.003 0.000 0.204 452 Q C 2.481 178.528 176.000 0.078 0.000 0.982 452 Q CA 1.530 57.364 55.803 0.051 0.000 0.850 452 Q CB -0.082 28.687 28.738 0.052 0.000 0.901 452 Q HN 0.243 nan 8.270 nan 0.000 0.422 453 R N 0.536 121.098 120.500 0.104 0.000 2.081 453 R HA -0.151 4.191 4.340 0.003 0.000 0.235 453 R C 1.268 177.687 176.300 0.198 0.000 1.131 453 R CA 1.926 58.102 56.100 0.127 0.000 0.960 453 R CB -0.421 29.960 30.300 0.135 0.000 0.856 453 R HN 0.390 nan 8.270 nan 0.000 0.436 454 D N -0.206 120.346 120.400 0.253 0.000 2.097 454 D HA -0.126 4.516 4.640 0.003 0.000 0.195 454 D C 1.884 178.515 176.300 0.552 0.000 0.989 454 D CA 2.324 56.585 54.000 0.435 0.000 0.827 454 D CB -0.508 40.546 40.800 0.424 0.000 0.966 454 D HN 0.455 nan 8.370 nan 0.000 0.456 455 T N -0.155 114.533 114.554 0.224 0.000 2.746 455 T HA -0.169 4.182 4.350 0.003 0.000 0.267 455 T C 2.067 176.962 174.700 0.326 0.000 1.039 455 T CA 0.816 63.020 62.100 0.173 0.000 1.142 455 T CB -0.613 68.173 68.868 -0.136 0.000 0.866 455 T HN 0.056 nan 8.240 nan 0.000 0.444 456 L N 1.077 122.440 121.223 0.233 0.000 2.079 456 L HA -0.090 4.252 4.340 0.003 0.000 0.210 456 L C 2.527 179.557 176.870 0.267 0.000 1.081 456 L CA 1.936 56.899 54.840 0.205 0.000 0.752 456 L CB -1.043 41.096 42.059 0.132 0.000 0.896 456 L HN 0.494 nan 8.230 nan 0.000 0.433 457 H N -0.478 118.701 119.070 0.181 0.000 2.421 457 H HA -0.203 4.355 4.556 0.002 0.000 0.298 457 H C 2.121 177.559 175.328 0.183 0.000 1.087 457 H CA 1.622 57.706 56.048 0.060 0.000 1.330 457 H CB 0.312 29.954 29.762 -0.200 0.000 1.388 457 H HN 0.369 nan 8.280 nan 0.000 0.526 458 K N 0.258 120.915 120.400 0.428 0.000 2.211 458 K HA 0.001 4.323 4.320 0.003 0.000 0.203 458 K C 0.089 176.955 176.600 0.443 0.000 1.050 458 K CA 0.869 57.394 56.287 0.397 0.000 0.945 458 K CB 0.223 32.912 32.500 0.315 0.000 0.732 458 K HN 0.472 nan 8.250 nan 0.000 0.451 459 G N 0.114 109.191 108.800 0.462 0.000 2.329 459 G HA2 -0.063 3.898 3.960 0.003 0.000 0.308 459 G HA3 -0.063 3.898 3.960 0.003 0.000 0.308 459 G C -0.579 174.418 174.900 0.162 0.000 1.587 459 G CA -0.383 44.915 45.100 0.330 0.000 0.978 459 G HN -0.043 nan 8.290 nan 0.000 0.685 460 K N 0.171 120.578 120.400 0.011 0.000 2.063 460 K HA -0.104 4.218 4.320 0.003 0.000 0.208 460 K C 2.071 178.589 176.600 -0.136 0.000 1.048 460 K CA 2.682 58.946 56.287 -0.038 0.000 0.928 460 K CB -0.070 32.401 32.500 -0.049 0.000 0.713 460 K HN 0.625 nan 8.250 nan 0.000 0.442 461 E N -1.055 118.943 120.200 -0.336 0.000 2.511 461 E HA -0.041 4.310 4.350 0.003 0.000 0.196 461 E C 0.558 176.868 176.600 -0.482 0.000 1.066 461 E CA 0.566 56.701 56.400 -0.441 0.000 0.871 461 E CB -0.166 29.204 29.700 -0.550 0.000 0.863 461 E HN 0.297 nan 8.360 nan 0.000 0.520 462 F N 0.777 120.737 119.950 0.018 0.000 2.704 462 F HA 0.222 4.751 4.527 0.003 0.000 0.304 462 F C 0.848 176.642 175.800 -0.010 0.000 1.094 462 F CA -0.753 57.265 58.000 0.031 0.000 1.275 462 F CB 0.156 39.227 39.000 0.117 0.000 1.073 462 F HN -0.042 nan 8.300 nan 0.000 0.586 463 E N 1.839 122.099 120.200 0.100 0.000 2.376 463 E HA 0.235 4.587 4.350 0.003 0.000 0.266 463 E C -0.872 175.687 176.600 -0.068 0.000 1.009 463 E CA -0.070 56.349 56.400 0.032 0.000 0.902 463 E CB 0.918 30.631 29.700 0.020 0.000 0.972 463 E HN -0.094 nan 8.360 nan 0.000 0.439 464 V N 7.684 127.548 119.914 -0.083 0.000 2.328 464 V HA 0.272 4.394 4.120 0.003 0.000 0.278 464 V C -2.208 173.839 176.094 -0.079 0.000 1.021 464 V CA -1.907 60.308 62.300 -0.140 0.000 0.838 464 V CB 1.189 32.951 31.823 -0.101 0.000 0.999 464 V HN 0.727 nan 8.190 nan 0.000 0.447 465 P HA 0.217 nan 4.420 nan 0.000 0.275 465 P C -0.642 176.792 177.300 0.223 0.000 1.227 465 P CA -0.395 62.755 63.100 0.083 0.000 0.781 465 P CB 0.761 32.564 31.700 0.171 0.000 0.906 466 L N 4.215 125.549 121.223 0.186 0.000 2.312 466 L HA 0.432 4.774 4.340 0.003 0.000 0.281 466 L C -0.777 176.189 176.870 0.160 0.000 1.070 466 L CA -0.056 54.894 54.840 0.183 0.000 0.805 466 L CB 0.185 42.323 42.059 0.131 0.000 1.174 466 L HN 0.249 nan 8.230 nan 0.000 0.434 467 I N 5.383 126.031 120.570 0.131 0.000 2.354 467 I HA 0.380 4.551 4.170 0.003 0.000 0.286 467 I C -0.056 176.060 176.117 -0.002 0.000 1.007 467 I CA -0.631 60.702 61.300 0.055 0.000 1.167 467 I CB 1.074 39.094 38.000 0.032 0.000 1.320 467 I HN 0.537 nan 8.210 nan 0.000 0.458 468 R N 7.361 127.855 120.500 -0.010 0.000 2.309 468 R HA 0.492 4.833 4.340 0.003 0.000 0.331 468 R C -0.856 175.446 176.300 0.004 0.000 1.116 468 R CA 0.230 56.311 56.100 -0.032 0.000 0.970 468 R CB 0.067 30.351 30.300 -0.026 0.000 1.024 468 R HN 0.536 nan 8.270 nan 0.000 0.472 469 I N 1.948 122.516 120.570 -0.003 0.000 2.512 469 I HA 0.544 4.716 4.170 0.003 0.000 0.287 469 I C 0.486 176.611 176.117 0.014 0.000 1.069 469 I CA -0.565 60.809 61.300 0.122 0.000 1.056 469 I CB 2.148 40.262 38.000 0.190 0.000 1.229 469 I HN 0.801 nan 8.210 nan 0.000 0.429 470 G N 5.207 113.982 108.800 -0.041 0.000 2.291 470 G HA2 0.186 4.148 3.960 0.003 0.000 0.249 470 G HA3 0.186 4.148 3.960 0.003 0.000 0.249 470 G C -2.143 172.603 174.900 -0.256 0.000 1.340 470 G CA -0.650 44.209 45.100 -0.401 0.000 1.017 470 G HN 0.486 nan 8.290 nan 0.000 0.470 471 F N 2.193 121.886 119.950 -0.427 0.000 2.596 471 F HA 0.746 5.274 4.527 0.002 0.000 0.311 471 F C -2.442 173.118 175.800 -0.400 0.000 1.116 471 F CA -1.874 55.821 58.000 -0.509 0.000 0.957 471 F CB 2.695 41.429 39.000 -0.444 0.000 1.250 471 F HN 0.464 nan 8.300 nan 0.000 0.444 472 P HA 0.437 nan 4.420 nan 0.000 0.286 472 P C -0.972 175.682 177.300 -1.077 0.000 1.261 472 P CA -0.219 61.815 63.100 -1.777 0.000 0.821 472 P CB 2.227 32.327 31.700 -2.666 0.000 1.013 473 I N 3.275 123.557 120.570 -0.480 0.000 2.359 473 I HA 0.202 4.373 4.170 0.003 0.000 0.284 473 I C 0.388 176.391 176.117 -0.189 0.000 1.018 473 I CA -0.436 60.670 61.300 -0.324 0.000 1.173 473 I CB 0.631 38.552 38.000 -0.131 0.000 1.326 473 I HN 0.202 nan 8.210 nan 0.000 0.462 474 F N 2.541 122.348 119.950 -0.238 0.000 2.694 474 F HA 0.047 4.575 4.527 0.002 0.000 0.292 474 F C 1.826 177.539 175.800 -0.145 0.000 1.121 474 F CA -0.166 57.703 58.000 -0.220 0.000 1.352 474 F CB -0.119 38.731 39.000 -0.250 0.000 1.107 474 F HN 0.488 nan 8.300 nan 0.000 0.597 475 D N -0.541 119.897 120.400 0.063 0.000 2.368 475 D HA 0.091 4.733 4.640 0.003 0.000 0.218 475 D C 0.539 176.873 176.300 0.057 0.000 1.112 475 D CA 0.245 54.272 54.000 0.044 0.000 0.834 475 D CB 0.277 41.070 40.800 -0.011 0.000 0.953 475 D HN -0.022 nan 8.370 nan 0.000 0.505 476 R N -0.325 120.216 120.500 0.068 0.000 2.836 476 R HA 0.421 4.762 4.340 0.003 0.000 0.269 476 R C -0.710 175.675 176.300 0.141 0.000 1.010 476 R CA -0.600 55.557 56.100 0.095 0.000 0.930 476 R CB 1.338 31.659 30.300 0.036 0.000 1.218 476 R HN 0.219 nan 8.270 nan 0.000 0.473 477 H N 1.317 120.338 119.070 -0.081 0.000 2.466 477 H HA 0.263 4.821 4.556 0.003 0.000 0.338 477 H C -0.181 175.035 175.328 -0.186 0.000 1.091 477 H CA -0.451 55.463 56.048 -0.223 0.000 1.207 477 H CB 1.147 30.781 29.762 -0.215 0.000 1.466 477 H HN 0.640 nan 8.280 nan 0.000 0.493 478 H N 1.702 120.852 119.070 0.134 0.000 3.109 478 H HA -0.165 4.393 4.556 0.003 0.000 0.245 478 H C 1.157 176.411 175.328 -0.124 0.000 1.187 478 H CA 0.536 56.573 56.048 -0.019 0.000 1.136 478 H CB -1.241 28.519 29.762 -0.002 0.000 1.243 478 H HN 0.663 nan 8.280 nan 0.000 0.328 479 L N 1.164 122.402 121.223 0.024 0.000 2.376 479 L HA -0.098 4.243 4.340 0.003 0.000 0.219 479 L C 2.718 179.661 176.870 0.122 0.000 1.133 479 L CA 1.255 56.136 54.840 0.067 0.000 0.816 479 L CB -0.485 41.626 42.059 0.087 0.000 0.933 479 L HN 0.494 nan 8.230 nan 0.000 0.449 480 H N 0.143 119.200 119.070 -0.022 0.000 2.543 480 H HA -0.116 4.441 4.556 0.003 0.000 0.286 480 H C 1.655 177.142 175.328 0.264 0.000 1.037 480 H CA 0.640 56.684 56.048 -0.006 0.000 1.250 480 H CB -0.283 29.370 29.762 -0.182 0.000 1.373 480 H HN 0.376 nan 8.280 nan 0.000 0.580 481 R N 1.030 121.416 120.500 -0.190 0.000 2.275 481 R HA 0.085 4.427 4.340 0.003 0.000 0.199 481 R C 0.716 177.060 176.300 0.075 0.000 0.989 481 R CA 0.173 56.240 56.100 -0.056 0.000 1.016 481 R CB 0.312 30.530 30.300 -0.138 0.000 0.918 481 R HN 0.169 nan 8.270 nan 0.000 0.473 482 S N 0.351 116.128 115.700 0.128 0.000 2.612 482 S HA 0.089 4.561 4.470 0.003 0.000 0.253 482 S C 0.359 174.911 174.600 -0.080 0.000 1.346 482 S CA 0.061 58.265 58.200 0.006 0.000 0.976 482 S CB 1.015 64.177 63.200 -0.064 0.000 0.949 482 S HN 0.064 nan 8.310 nan 0.000 0.584 483 T N 0.749 115.177 114.554 -0.210 0.000 2.861 483 T HA 0.518 4.870 4.350 0.003 0.000 0.287 483 T C 0.782 175.279 174.700 -0.339 0.000 1.003 483 T CA -0.709 61.252 62.100 -0.231 0.000 0.977 483 T CB 1.648 70.433 68.868 -0.138 0.000 0.996 483 T HN 0.732 nan 8.240 nan 0.000 0.448 484 T N -0.191 114.155 114.554 -0.348 0.000 2.975 484 T HA 0.391 4.743 4.350 0.003 0.000 0.257 484 T C 0.490 175.055 174.700 -0.225 0.000 1.003 484 T CA -0.191 61.745 62.100 -0.274 0.000 0.932 484 T CB -0.032 68.718 68.868 -0.196 0.000 1.087 484 T HN 0.358 nan 8.240 nan 0.000 0.512 485 L N 1.572 122.663 121.223 -0.220 0.000 2.375 485 L HA 0.678 5.020 4.340 0.003 0.000 0.268 485 L C 1.264 177.963 176.870 -0.286 0.000 1.058 485 L CA -0.120 54.571 54.840 -0.248 0.000 0.803 485 L CB 0.741 42.646 42.059 -0.257 0.000 1.212 485 L HN 0.544 nan 8.230 nan 0.000 0.451 486 G N 0.093 108.683 108.800 -0.350 0.000 2.750 486 G HA2 -0.310 3.651 3.960 0.003 0.000 0.228 486 G HA3 -0.310 3.651 3.960 0.003 0.000 0.228 486 G C -0.105 174.570 174.900 -0.374 0.000 1.367 486 G CA 0.232 45.075 45.100 -0.428 0.000 0.871 486 G HN 0.540 nan 8.290 nan 0.000 0.560 487 Y N 0.206 120.425 120.300 -0.135 0.000 2.242 487 Y HA 0.053 4.605 4.550 0.003 0.000 0.291 487 Y C 2.825 178.645 175.900 -0.133 0.000 1.137 487 Y CA 1.834 59.858 58.100 -0.128 0.000 1.181 487 Y CB -0.448 37.971 38.460 -0.068 0.000 0.989 487 Y HN 0.773 nan 8.280 nan 0.000 0.527 488 E N -0.107 120.100 120.200 0.011 0.000 2.051 488 E HA -0.163 4.189 4.350 0.003 0.000 0.192 488 E C 2.535 179.078 176.600 -0.094 0.000 0.991 488 E CA 1.211 57.593 56.400 -0.030 0.000 0.799 488 E CB -0.500 29.175 29.700 -0.041 0.000 0.748 488 E HN 0.483 nan 8.360 nan 0.000 0.449 489 G N 0.399 109.101 108.800 -0.162 0.000 2.422 489 G HA2 -0.209 3.753 3.960 0.003 0.000 0.218 489 G HA3 -0.209 3.753 3.960 0.003 0.000 0.218 489 G C 1.610 176.355 174.900 -0.258 0.000 1.140 489 G CA 0.797 45.770 45.100 -0.212 0.000 0.775 489 G HN 0.405 nan 8.290 nan 0.000 0.545 490 A N 0.723 123.336 122.820 -0.346 0.000 1.898 490 A HA 0.061 4.382 4.320 0.003 0.000 0.216 490 A C 2.448 179.959 177.584 -0.123 0.000 1.181 490 A CA 1.675 53.371 52.037 -0.569 0.000 0.620 490 A CB -0.350 18.252 19.000 -0.663 0.000 0.819 490 A HN 0.369 nan 8.150 nan 0.000 0.442 491 M N -0.985 118.589 119.600 -0.043 0.000 2.117 491 M HA -0.238 4.244 4.480 0.003 0.000 0.262 491 M C 2.482 178.788 176.300 0.010 0.000 1.065 491 M CA 1.774 57.089 55.300 0.024 0.000 1.114 491 M CB -0.475 32.132 32.600 0.012 0.000 1.361 491 M HN 0.498 nan 8.290 nan 0.000 0.408 492 Q N 0.260 120.039 119.800 -0.035 0.000 2.084 492 Q HA -0.131 4.211 4.340 0.003 0.000 0.202 492 Q C 2.007 177.990 176.000 -0.028 0.000 0.978 492 Q CA 1.352 57.128 55.803 -0.044 0.000 0.844 492 Q CB -0.161 28.527 28.738 -0.084 0.000 0.898 492 Q HN 0.553 nan 8.270 nan 0.000 0.426 493 I N 0.417 120.980 120.570 -0.012 0.000 2.202 493 I HA -0.265 3.907 4.170 0.003 0.000 0.242 493 I C 2.302 178.461 176.117 0.069 0.000 1.091 493 I CA 0.548 61.868 61.300 0.033 0.000 1.368 493 I CB -0.308 37.748 38.000 0.094 0.000 1.058 493 I HN 0.239 nan 8.210 nan 0.000 0.410 494 L N 0.623 121.957 121.223 0.186 0.000 2.013 494 L HA -0.221 4.121 4.340 0.003 0.000 0.212 494 L C 2.409 179.283 176.870 0.006 0.000 1.073 494 L CA 2.257 57.147 54.840 0.083 0.000 0.753 494 L CB -1.241 40.925 42.059 0.178 0.000 0.890 494 L HN 0.167 nan 8.230 nan 0.000 0.432 495 T N -0.976 113.583 114.554 0.009 0.000 2.746 495 T HA -0.153 4.199 4.350 0.003 0.000 0.267 495 T C 1.734 176.404 174.700 -0.050 0.000 1.039 495 T CA 1.885 63.973 62.100 -0.020 0.000 1.142 495 T CB -0.615 68.243 68.868 -0.015 0.000 0.866 495 T HN 0.475 nan 8.240 nan 0.000 0.444 496 T N 2.576 117.097 114.554 -0.055 0.000 2.720 496 T HA 0.009 4.360 4.350 0.003 0.000 0.268 496 T C 1.975 176.600 174.700 -0.123 0.000 1.037 496 T CA 0.940 62.992 62.100 -0.079 0.000 1.144 496 T CB -0.468 68.358 68.868 -0.070 0.000 0.864 496 T HN 0.262 nan 8.240 nan 0.000 0.444 497 L N 0.750 121.893 121.223 -0.133 0.000 2.005 497 L HA -0.081 4.260 4.340 0.003 0.000 0.207 497 L C 2.728 179.501 176.870 -0.161 0.000 1.072 497 L CA 0.988 55.722 54.840 -0.176 0.000 0.744 497 L CB -0.916 41.032 42.059 -0.186 0.000 0.895 497 L HN 0.148 nan 8.230 nan 0.000 0.433 498 V N 0.003 119.857 119.914 -0.101 0.000 2.287 498 V HA -0.310 3.812 4.120 0.003 0.000 0.248 498 V C 1.922 177.924 176.094 -0.154 0.000 1.053 498 V CA 2.391 64.642 62.300 -0.081 0.000 1.027 498 V CB -0.994 30.807 31.823 -0.036 0.000 0.646 498 V HN 0.498 nan 8.190 nan 0.000 0.447 499 N N -0.036 118.580 118.700 -0.141 0.000 2.331 499 N HA -0.112 4.630 4.740 0.003 0.000 0.180 499 N C 1.988 177.397 175.510 -0.168 0.000 1.019 499 N CA 1.123 54.083 53.050 -0.150 0.000 0.881 499 N CB -0.108 38.316 38.487 -0.106 0.000 0.972 499 N HN 0.368 nan 8.380 nan 0.000 0.435 500 S N 0.848 116.421 115.700 -0.211 0.000 2.383 500 S HA -0.017 4.455 4.470 0.003 0.000 0.227 500 S C 1.909 176.346 174.600 -0.272 0.000 1.026 500 S CA 0.636 58.684 58.200 -0.254 0.000 0.981 500 S CB -0.082 62.872 63.200 -0.411 0.000 0.818 500 S HN 0.246 nan 8.310 nan 0.000 0.472 501 I N 1.494 121.856 120.570 -0.346 0.000 2.127 501 I HA -0.210 3.961 4.170 0.003 0.000 0.241 501 I C 2.012 178.047 176.117 -0.137 0.000 1.075 501 I CA 1.281 62.505 61.300 -0.127 0.000 1.334 501 I CB -0.363 37.585 38.000 -0.087 0.000 1.040 501 I HN 0.231 nan 8.210 nan 0.000 0.405 502 L N 0.010 121.059 121.223 -0.290 0.000 2.141 502 L HA -0.187 4.155 4.340 0.003 0.000 0.209 502 L C 2.515 179.256 176.870 -0.215 0.000 1.094 502 L CA 0.942 55.553 54.840 -0.382 0.000 0.763 502 L CB -0.528 41.258 42.059 -0.454 0.000 0.908 502 L HN 0.240 nan 8.230 nan 0.000 0.437 503 E N 0.675 120.798 120.200 -0.128 0.000 2.107 503 E HA -0.226 4.125 4.350 0.003 0.000 0.191 503 E C 2.176 178.768 176.600 -0.013 0.000 0.982 503 E CA 1.019 57.380 56.400 -0.065 0.000 0.809 503 E CB 0.006 29.684 29.700 -0.038 0.000 0.756 503 E HN 0.087 nan 8.360 nan 0.000 0.459 504 R N 0.330 120.857 120.500 0.046 0.000 2.081 504 R HA -0.002 4.339 4.340 0.003 0.000 0.235 504 R C 2.385 178.696 176.300 0.018 0.000 1.131 504 R CA 1.414 57.566 56.100 0.087 0.000 0.960 504 R CB -0.963 29.488 30.300 0.251 0.000 0.856 504 R HN 0.369 nan 8.270 nan 0.000 0.436 505 L N 0.199 121.404 121.223 -0.030 0.000 2.046 505 L HA -0.211 4.131 4.340 0.003 0.000 0.208 505 L C 1.374 178.221 176.870 -0.039 0.000 1.077 505 L CA 1.930 56.733 54.840 -0.062 0.000 0.747 505 L CB -0.445 41.512 42.059 -0.170 0.000 0.896 505 L HN 0.271 nan 8.230 nan 0.000 0.432 506 D N -0.417 119.953 120.400 -0.050 0.000 2.144 506 D HA -0.228 4.414 4.640 0.003 0.000 0.199 506 D C 1.956 178.328 176.300 0.120 0.000 0.984 506 D CA 1.436 55.461 54.000 0.041 0.000 0.834 506 D CB 0.102 40.885 40.800 -0.029 0.000 0.955 506 D HN 0.559 nan 8.370 nan 0.000 0.465 507 E N 1.073 121.299 120.200 0.043 0.000 2.107 507 E HA -0.144 4.208 4.350 0.003 0.000 0.191 507 E C 1.592 178.189 176.600 -0.006 0.000 0.982 507 E CA 1.076 57.489 56.400 0.022 0.000 0.809 507 E CB -0.199 29.508 29.700 0.011 0.000 0.756 507 E HN 0.223 nan 8.360 nan 0.000 0.459 508 E N 0.066 120.260 120.200 -0.011 0.000 2.268 508 E HA -0.089 4.263 4.350 0.003 0.000 0.195 508 E C 1.118 177.686 176.600 -0.055 0.000 0.995 508 E CA 1.464 57.843 56.400 -0.035 0.000 0.836 508 E CB 0.084 29.763 29.700 -0.035 0.000 0.763 508 E HN 0.495 nan 8.360 nan 0.000 0.491 509 T N -1.940 112.598 114.554 -0.027 0.000 3.214 509 T HA 0.236 4.588 4.350 0.003 0.000 0.264 509 T C 1.099 175.670 174.700 -0.215 0.000 1.012 509 T CA -0.425 61.629 62.100 -0.078 0.000 0.901 509 T CB 0.206 69.067 68.868 -0.013 0.000 1.070 509 T HN -0.109 nan 8.240 nan 0.000 0.561 510 R N 1.109 121.455 120.500 -0.256 0.000 2.391 510 R HA 0.340 4.681 4.340 0.003 0.000 0.249 510 R C 0.930 177.068 176.300 -0.270 0.000 0.957 510 R CA -0.206 55.618 56.100 -0.460 0.000 1.093 510 R CB -0.337 29.816 30.300 -0.246 0.000 1.156 510 R HN 0.441 nan 8.270 nan 0.000 0.526 511 G N 1.196 109.885 108.800 -0.185 0.000 2.391 511 G HA2 0.191 4.153 3.960 0.003 0.000 0.305 511 G HA3 0.191 4.153 3.960 0.003 0.000 0.305 511 G C -0.340 174.507 174.900 -0.089 0.000 1.072 511 G CA -0.589 44.446 45.100 -0.107 0.000 1.016 511 G HN 0.218 nan 8.290 nan 0.000 0.418 512 M N 2.504 122.059 119.600 -0.076 0.000 2.336 512 M HA -0.009 4.473 4.480 0.003 0.000 0.371 512 M C 1.288 177.584 176.300 -0.007 0.000 1.542 512 M CA 0.914 56.189 55.300 -0.042 0.000 0.959 512 M CB -0.152 32.429 32.600 -0.032 0.000 2.033 512 M HN 0.836 nan 8.290 nan 0.000 0.472 513 Q N 1.685 121.495 119.800 0.018 0.000 2.439 513 Q HA -0.331 4.010 4.340 0.003 0.000 0.247 513 Q C -0.169 175.871 176.000 0.067 0.000 0.899 513 Q CA 1.127 56.959 55.803 0.047 0.000 1.201 513 Q CB -1.171 27.584 28.738 0.029 0.000 1.608 513 Q HN 0.951 nan 8.270 nan 0.000 0.563 514 A N -1.595 121.263 122.820 0.065 0.000 2.008 514 A HA 0.151 4.473 4.320 0.003 0.000 0.201 514 A C 1.520 179.191 177.584 0.145 0.000 1.794 514 A CA 0.968 53.054 52.037 0.083 0.000 0.952 514 A CB 0.041 19.059 19.000 0.030 0.000 1.147 514 A HN 0.603 nan 8.150 nan 0.000 0.589 515 T N -1.988 112.576 114.554 0.017 0.000 2.975 515 T HA 0.048 4.400 4.350 0.003 0.000 0.257 515 T C 0.857 175.333 174.700 -0.373 0.000 1.003 515 T CA 0.856 62.859 62.100 -0.161 0.000 0.932 515 T CB -0.059 68.727 68.868 -0.138 0.000 1.087 515 T HN 0.394 nan 8.240 nan 0.000 0.512 516 D N 1.907 122.207 120.400 -0.167 0.000 2.390 516 D HA -0.130 4.512 4.640 0.003 0.000 0.235 516 D C 1.469 177.750 176.300 -0.032 0.000 1.040 516 D CA 0.078 53.997 54.000 -0.134 0.000 0.923 516 D CB -0.763 39.957 40.800 -0.133 0.000 0.886 516 D HN 0.710 nan 8.370 nan 0.000 0.532 517 Y N -0.146 120.178 120.300 0.040 0.000 2.352 517 Y HA 0.029 4.581 4.550 0.002 0.000 0.292 517 Y C 1.228 177.167 175.900 0.065 0.000 1.136 517 Y CA 0.841 58.968 58.100 0.045 0.000 1.227 517 Y CB -0.992 37.486 38.460 0.030 0.000 0.991 517 Y HN -0.043 nan 8.280 nan 0.000 0.545 518 N N 0.226 118.706 118.700 -0.367 0.000 2.453 518 N HA -0.030 4.712 4.740 0.003 0.000 0.270 518 N C -0.772 174.713 175.510 -0.042 0.000 1.195 518 N CA -0.205 52.754 53.050 -0.151 0.000 0.902 518 N CB -0.590 37.734 38.487 -0.271 0.000 1.186 518 N HN 0.502 nan 8.380 nan 0.000 0.510 519 H N 0.285 119.294 119.070 -0.102 0.000 2.432 519 H HA 0.183 4.740 4.556 0.002 0.000 0.226 519 H C -0.937 174.372 175.328 -0.032 0.000 1.634 519 H CA -0.660 55.343 56.048 -0.076 0.000 1.253 519 H CB 0.007 29.725 29.762 -0.073 0.000 1.584 519 H HN 0.272 nan 8.280 nan 0.000 0.545 520 D N 2.440 122.799 120.400 -0.068 0.000 2.382 520 D HA -0.083 4.559 4.640 0.003 0.000 0.245 520 D C 1.458 177.699 176.300 -0.097 0.000 1.120 520 D CA -0.319 53.657 54.000 -0.040 0.000 0.890 520 D CB 1.840 42.651 40.800 0.019 0.000 1.201 520 D HN 0.417 nan 8.370 nan 0.000 0.433 521 L N 2.754 123.946 121.223 -0.051 0.000 2.093 521 L HA -0.039 4.302 4.340 0.003 0.000 0.208 521 L C 0.179 177.024 176.870 -0.042 0.000 1.085 521 L CA 1.411 56.218 54.840 -0.054 0.000 0.755 521 L CB 0.345 42.391 42.059 -0.021 0.000 0.904 521 L HN 0.189 nan 8.230 nan 0.000 0.435 522 V N 1.129 121.037 119.914 -0.010 0.000 2.417 522 V HA 0.506 4.627 4.120 0.003 0.000 0.291 522 V C 0.066 176.192 176.094 0.053 0.000 1.024 522 V CA -0.667 61.641 62.300 0.014 0.000 0.861 522 V CB 1.535 33.372 31.823 0.024 0.000 0.985 522 V HN 0.248 nan 8.190 nan 0.000 0.436 523 R N 0.000 120.543 120.500 0.071 0.000 2.786 523 R HA 0.000 4.342 4.340 0.003 0.000 0.208 523 R CA 0.000 56.220 56.100 0.200 0.000 0.921 523 R CB 0.000 30.313 30.300 0.021 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535