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 1m1y_1_J 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 0.000 174.626 174.600 0.044 0.000 1.055 2 S CA 0.000 58.235 58.200 0.058 0.000 1.107 2 S CB 0.000 63.213 63.200 0.021 0.000 0.593 3 Q N 0.963 120.777 119.800 0.024 0.000 2.356 3 Q HA 0.529 4.869 4.340 -0.000 0.000 0.270 3 Q C -1.464 174.535 176.000 -0.001 0.000 1.058 3 Q CA -0.686 55.120 55.803 0.005 0.000 0.802 3 Q CB 2.059 30.798 28.738 0.002 0.000 1.303 3 Q HN 0.488 nan 8.270 nan 0.000 0.444 4 Q N 1.376 121.170 119.800 -0.009 0.000 2.465 4 Q HA 0.156 4.496 4.340 -0.000 0.000 0.237 4 Q C 0.887 176.881 176.000 -0.010 0.000 1.051 4 Q CA -0.112 55.686 55.803 -0.009 0.000 0.874 4 Q CB 1.368 30.099 28.738 -0.012 0.000 1.207 4 Q HN 0.567 nan 8.270 nan 0.000 0.508 5 V N 2.758 122.668 119.914 -0.007 0.000 2.481 5 V HA -0.369 3.751 4.120 -0.000 0.000 0.263 5 V C 1.254 177.343 176.094 -0.009 0.000 1.108 5 V CA 2.791 65.087 62.300 -0.007 0.000 1.113 5 V CB -0.057 31.764 31.823 -0.004 0.000 0.684 5 V HN 0.900 nan 8.190 nan 0.000 0.467 6 D N -1.235 119.160 120.400 -0.009 0.000 2.162 6 D HA -0.088 4.552 4.640 -0.000 0.000 0.203 6 D C 1.357 177.650 176.300 -0.013 0.000 0.967 6 D CA 0.631 54.625 54.000 -0.009 0.000 0.840 6 D CB -0.123 40.673 40.800 -0.008 0.000 0.972 6 D HN 0.356 nan 8.370 nan 0.000 0.482 7 K N 1.015 121.405 120.400 -0.017 0.000 2.842 7 K HA 0.318 4.638 4.320 -0.000 0.000 0.176 7 K C -0.569 176.011 176.600 -0.033 0.000 1.080 7 K CA -0.596 55.676 56.287 -0.024 0.000 0.954 7 K CB 0.277 32.762 32.500 -0.025 0.000 1.203 7 K HN 0.133 nan 8.250 nan 0.000 0.611 8 I N 2.861 123.412 120.570 -0.032 0.000 2.710 8 I HA -0.049 4.121 4.170 -0.000 0.000 0.286 8 I C 0.605 176.683 176.117 -0.064 0.000 1.181 8 I CA 0.556 61.831 61.300 -0.042 0.000 1.430 8 I CB 0.371 38.351 38.000 -0.034 0.000 1.367 8 I HN 0.034 nan 8.210 nan 0.000 0.577 9 K N 5.887 126.234 120.400 -0.088 0.000 2.182 9 K HA 0.733 5.053 4.320 -0.000 0.000 0.262 9 K C -0.352 176.149 176.600 -0.165 0.000 0.957 9 K CA -0.683 55.522 56.287 -0.136 0.000 0.842 9 K CB 1.960 34.358 32.500 -0.170 0.000 1.099 9 K HN 0.669 nan 8.250 nan 0.000 0.438 10 A N 1.180 123.903 122.820 -0.162 0.000 2.378 10 A HA 0.238 4.558 4.320 -0.000 0.000 0.293 10 A C 1.558 178.974 177.584 -0.280 0.000 1.250 10 A CA -0.087 51.850 52.037 -0.166 0.000 0.915 10 A CB 0.698 19.650 19.000 -0.079 0.000 1.402 10 A HN 0.773 nan 8.150 nan 0.000 0.502 11 S N -1.838 113.705 115.700 -0.262 0.000 2.429 11 S HA -0.256 4.214 4.470 -0.000 0.000 0.251 11 S C 0.534 174.928 174.600 -0.343 0.000 1.104 11 S CA 2.448 60.428 58.200 -0.367 0.000 1.130 11 S CB -0.550 62.642 63.200 -0.014 0.000 1.000 11 S HN 0.999 nan 8.310 nan 0.000 0.449 12 Y N 1.996 122.165 120.300 -0.218 0.000 2.376 12 Y HA 0.589 5.139 4.550 -0.000 0.000 0.340 12 Y C -2.424 173.401 175.900 -0.125 0.000 0.965 12 Y CA -2.209 55.811 58.100 -0.134 0.000 1.078 12 Y CB 2.068 40.501 38.460 -0.046 0.000 1.193 12 Y HN -0.010 nan 8.280 nan 0.000 0.452 13 P HA 0.040 nan 4.420 nan 0.000 0.249 13 P C 0.912 177.969 177.300 -0.406 0.000 1.583 13 P CA 0.087 62.655 63.100 -0.887 0.000 0.988 13 P CB 0.382 31.510 31.700 -0.953 0.000 1.530 14 L N 0.648 121.611 121.223 -0.435 0.000 1.963 14 L HA -0.176 4.164 4.340 -0.000 0.000 0.220 14 L C 1.647 178.311 176.870 -0.344 0.000 1.076 14 L CA 2.205 56.774 54.840 -0.452 0.000 0.772 14 L CB -1.439 40.157 42.059 -0.772 0.000 0.892 14 L HN -0.139 nan 8.230 nan 0.000 0.435 15 F N -0.310 119.492 119.950 -0.246 0.000 2.754 15 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 15 F C 1.771 177.587 175.800 0.026 0.000 1.234 15 F CA 0.372 58.258 58.000 -0.189 0.000 1.460 15 F CB -1.092 37.801 39.000 -0.180 0.000 1.120 15 F HN 0.130 nan 8.300 nan 0.000 0.592 16 L N -1.337 119.966 121.223 0.134 0.000 2.616 16 L HA 0.123 4.463 4.340 -0.000 0.000 0.229 16 L C 0.243 177.186 176.870 0.122 0.000 1.110 16 L CA -0.117 54.794 54.840 0.117 0.000 0.884 16 L CB -0.237 41.843 42.059 0.034 0.000 1.115 16 L HN -0.176 nan 8.230 nan 0.000 0.481 17 D N 0.504 121.004 120.400 0.166 0.000 2.455 17 D HA -0.053 4.587 4.640 -0.000 0.000 0.241 17 D C 1.024 177.417 176.300 0.156 0.000 1.138 17 D CA 0.304 54.400 54.000 0.160 0.000 0.877 17 D CB 1.078 42.021 40.800 0.238 0.000 1.187 17 D HN -0.078 nan 8.370 nan 0.000 0.451 18 Q N 2.108 121.959 119.800 0.084 0.000 2.082 18 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 18 Q C 1.204 177.231 176.000 0.045 0.000 1.002 18 Q CA 2.230 58.068 55.803 0.058 0.000 0.868 18 Q CB -0.087 28.668 28.738 0.029 0.000 0.931 18 Q HN 0.642 nan 8.270 nan 0.000 0.414 19 D N -1.288 119.111 120.400 -0.002 0.000 2.104 19 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 19 D C 1.756 178.006 176.300 -0.084 0.000 0.994 19 D CA 1.558 55.507 54.000 -0.086 0.000 0.830 19 D CB -1.019 39.665 40.800 -0.193 0.000 0.959 19 D HN 0.391 nan 8.370 nan 0.000 0.452 20 Y N 1.464 121.816 120.300 0.085 0.000 2.274 20 Y HA -0.086 4.464 4.550 -0.000 0.000 0.290 20 Y C 2.479 178.423 175.900 0.073 0.000 1.145 20 Y CA 0.791 58.958 58.100 0.112 0.000 1.203 20 Y CB -0.097 38.508 38.460 0.241 0.000 0.984 20 Y HN -0.112 nan 8.280 nan 0.000 0.533 21 K N 0.152 120.676 120.400 0.207 0.000 1.985 21 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 21 K C 1.470 178.119 176.600 0.081 0.000 1.047 21 K CA 1.649 58.015 56.287 0.132 0.000 0.932 21 K CB -0.713 31.848 32.500 0.102 0.000 0.716 21 K HN 0.342 nan 8.250 nan 0.000 0.439 22 D N 0.734 121.167 120.400 0.054 0.000 2.309 22 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 22 D C 1.798 178.114 176.300 0.026 0.000 0.968 22 D CA 0.546 54.563 54.000 0.028 0.000 0.882 22 D CB -0.003 40.803 40.800 0.010 0.000 0.918 22 D HN 0.112 nan 8.370 nan 0.000 0.503 23 M N 0.501 120.122 119.600 0.035 0.000 2.073 23 M HA -0.081 4.399 4.480 -0.000 0.000 0.259 23 M C 2.131 178.463 176.300 0.054 0.000 1.079 23 M CA 1.089 56.411 55.300 0.035 0.000 1.131 23 M CB -0.472 32.150 32.600 0.037 0.000 1.316 23 M HN -0.030 nan 8.290 nan 0.000 0.415 24 L N 0.185 121.447 121.223 0.065 0.000 2.131 24 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 24 L C 2.676 179.569 176.870 0.039 0.000 1.092 24 L CA 1.002 55.869 54.840 0.045 0.000 0.759 24 L CB -1.159 40.917 42.059 0.027 0.000 0.903 24 L HN 0.353 nan 8.230 nan 0.000 0.435 25 A N 0.410 123.251 122.820 0.036 0.000 1.883 25 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 25 A C 2.389 179.976 177.584 0.006 0.000 1.186 25 A CA 1.724 53.773 52.037 0.020 0.000 0.624 25 A CB -0.331 18.680 19.000 0.019 0.000 0.822 25 A HN 0.319 nan 8.150 nan 0.000 0.444 26 K N -0.452 119.956 120.400 0.013 0.000 1.985 26 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 26 K C 2.245 178.846 176.600 0.002 0.000 1.047 26 K CA 1.594 57.878 56.287 -0.005 0.000 0.932 26 K CB -0.293 32.221 32.500 0.023 0.000 0.716 26 K HN 0.513 nan 8.250 nan 0.000 0.439 27 K N 1.552 122.008 120.400 0.093 0.000 2.144 27 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 27 K C 2.240 178.911 176.600 0.119 0.000 1.047 27 K CA 1.573 57.978 56.287 0.196 0.000 0.927 27 K CB -0.064 32.529 32.500 0.154 0.000 0.716 27 K HN 0.066 nan 8.250 nan 0.000 0.454 28 R N 0.609 121.134 120.500 0.042 0.000 2.078 28 R HA -0.141 4.199 4.340 -0.000 0.000 0.224 28 R C 1.736 178.013 176.300 -0.038 0.000 1.149 28 R CA 2.143 58.253 56.100 0.016 0.000 0.916 28 R CB -0.419 29.887 30.300 0.011 0.000 0.821 28 R HN 0.253 nan 8.270 nan 0.000 0.434 29 D N -0.407 119.953 120.400 -0.067 0.000 2.149 29 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 29 D C 1.756 177.926 176.300 -0.216 0.000 1.001 29 D CA 1.740 55.674 54.000 -0.110 0.000 0.849 29 D CB -0.578 40.163 40.800 -0.097 0.000 0.939 29 D HN 0.608 nan 8.370 nan 0.000 0.449 30 G N -0.411 108.174 108.800 -0.358 0.000 2.404 30 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 30 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 30 G C 1.012 175.281 174.900 -1.052 0.000 1.174 30 G CA 0.558 45.157 45.100 -0.835 0.000 0.780 30 G HN 0.306 nan 8.290 nan 0.000 0.537 31 F N -0.720 119.221 119.950 -0.015 0.000 2.871 31 F HA 0.383 4.910 4.527 -0.000 0.000 0.344 31 F C 2.008 177.798 175.800 -0.018 0.000 1.078 31 F CA -0.440 57.550 58.000 -0.017 0.000 1.149 31 F CB 0.476 39.467 39.000 -0.014 0.000 1.087 31 F HN 0.049 nan 8.300 nan 0.000 0.557 32 E N 1.133 121.396 120.200 0.105 0.000 2.216 32 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 32 E C 0.068 176.681 176.600 0.022 0.000 0.988 32 E CA 0.657 57.097 56.400 0.067 0.000 0.834 32 E CB -0.114 29.617 29.700 0.052 0.000 0.772 32 E HN 0.342 nan 8.360 nan 0.000 0.479 33 E N 1.182 121.373 120.200 -0.016 0.000 2.252 33 E HA -0.233 4.117 4.350 -0.000 0.000 0.218 33 E C -0.196 176.361 176.600 -0.071 0.000 1.253 33 E CA 0.350 56.715 56.400 -0.058 0.000 0.705 33 E CB -1.256 28.410 29.700 -0.057 0.000 1.172 33 E HN 0.150 nan 8.360 nan 0.000 0.369 34 K N 0.909 121.292 120.400 -0.029 0.000 2.185 34 K HA 0.213 4.533 4.320 -0.000 0.000 0.271 34 K C -0.392 176.219 176.600 0.018 0.000 1.013 34 K CA -0.467 55.837 56.287 0.029 0.000 0.943 34 K CB 0.538 33.073 32.500 0.058 0.000 0.998 34 K HN 0.015 nan 8.250 nan 0.000 0.468 35 Y N 3.382 123.685 120.300 0.005 0.000 2.712 35 Y HA 0.019 4.569 4.550 -0.000 0.000 0.333 35 Y C -1.697 174.206 175.900 0.006 0.000 1.225 35 Y CA -1.144 56.959 58.100 0.005 0.000 1.499 35 Y CB 0.055 38.523 38.460 0.013 0.000 1.288 35 Y HN 0.572 nan 8.280 nan 0.000 0.575 36 P HA -0.118 nan 4.420 nan 0.000 0.261 36 P C 0.324 177.682 177.300 0.097 0.000 1.173 36 P CA 0.211 63.359 63.100 0.079 0.000 0.760 36 P CB 0.719 32.453 31.700 0.056 0.000 0.783 37 Q N 3.751 123.592 119.800 0.069 0.000 2.028 37 Q HA -0.318 4.022 4.340 -0.000 0.000 0.213 37 Q C 1.199 177.239 176.000 0.067 0.000 1.017 37 Q CA 2.454 58.295 55.803 0.064 0.000 0.875 37 Q CB -1.009 27.757 28.738 0.046 0.000 0.962 37 Q HN 0.477 nan 8.270 nan 0.000 0.413 38 D N -0.666 119.767 120.400 0.055 0.000 2.311 38 D HA -0.227 4.413 4.640 -0.000 0.000 0.204 38 D C 1.576 177.910 176.300 0.057 0.000 1.000 38 D CA 1.626 55.656 54.000 0.050 0.000 0.910 38 D CB -0.075 40.748 40.800 0.038 0.000 0.900 38 D HN 0.205 nan 8.370 nan 0.000 0.463 39 K N 0.828 121.272 120.400 0.073 0.000 2.099 39 K HA 0.071 4.391 4.320 -0.000 0.000 0.203 39 K C 2.155 178.787 176.600 0.053 0.000 1.047 39 K CA 0.274 56.601 56.287 0.067 0.000 0.963 39 K CB -0.319 32.255 32.500 0.123 0.000 0.759 39 K HN 0.048 nan 8.250 nan 0.000 0.451 40 I N 1.318 121.929 120.570 0.068 0.000 2.194 40 I HA -0.322 3.848 4.170 -0.000 0.000 0.246 40 I C 1.189 177.385 176.117 0.131 0.000 1.093 40 I CA 1.854 63.197 61.300 0.073 0.000 1.355 40 I CB -0.383 37.658 38.000 0.069 0.000 1.046 40 I HN 0.238 nan 8.210 nan 0.000 0.413 41 D N 0.192 120.661 120.400 0.116 0.000 2.178 41 D HA -0.198 4.442 4.640 -0.000 0.000 0.202 41 D C 2.032 178.426 176.300 0.156 0.000 0.974 41 D CA 0.931 55.015 54.000 0.139 0.000 0.841 41 D CB -0.070 40.777 40.800 0.078 0.000 0.953 41 D HN 0.403 nan 8.370 nan 0.000 0.478 42 E N 0.365 120.627 120.200 0.103 0.000 2.006 42 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 42 E C 2.041 178.709 176.600 0.114 0.000 0.993 42 E CA 0.864 57.309 56.400 0.075 0.000 0.808 42 E CB 0.069 29.785 29.700 0.026 0.000 0.764 42 E HN 0.006 nan 8.360 nan 0.000 0.449 43 V N 1.359 121.340 119.914 0.112 0.000 2.282 43 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 43 V C 2.192 178.425 176.094 0.232 0.000 1.057 43 V CA 2.192 64.606 62.300 0.190 0.000 1.032 43 V CB -0.820 31.076 31.823 0.121 0.000 0.645 43 V HN 0.360 nan 8.190 nan 0.000 0.447 44 F N 0.823 120.804 119.950 0.051 0.000 2.011 44 F HA -0.275 4.252 4.527 -0.000 0.000 0.296 44 F C 2.680 178.408 175.800 -0.119 0.000 1.144 44 F CA 2.438 60.428 58.000 -0.016 0.000 1.185 44 F CB -0.738 38.295 39.000 0.055 0.000 0.961 44 F HN 0.038 nan 8.300 nan 0.000 0.485 45 Q N -0.320 119.435 119.800 -0.075 0.000 2.197 45 Q HA -0.310 4.029 4.340 -0.000 0.000 0.211 45 Q C 2.027 177.855 176.000 -0.285 0.000 0.993 45 Q CA 2.377 58.035 55.803 -0.242 0.000 0.883 45 Q CB -1.166 27.559 28.738 -0.021 0.000 0.916 45 Q HN 0.747 nan 8.270 nan 0.000 0.418 46 W N 1.212 122.329 121.300 -0.306 0.000 2.354 46 W HA -0.210 4.450 4.660 -0.000 0.000 0.315 46 W C 2.322 178.602 176.519 -0.398 0.000 1.206 46 W CA 3.067 60.266 57.345 -0.243 0.000 1.290 46 W CB -0.994 28.399 29.460 -0.111 0.000 1.152 46 W HN 0.270 nan 8.180 nan 0.000 0.489 47 T N -2.187 111.824 114.554 -0.905 0.000 2.897 47 T HA -0.240 4.110 4.350 -0.000 0.000 0.271 47 T C 1.571 175.568 174.700 -1.173 0.000 1.084 47 T CA 2.079 63.227 62.100 -1.586 0.000 1.123 47 T CB -1.331 66.717 68.868 -1.367 0.000 0.865 47 T HN 0.312 nan 8.240 nan 0.000 0.496 48 T N 0.422 114.262 114.554 -1.189 0.000 3.169 48 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 48 T C 0.866 175.158 174.700 -0.681 0.000 1.111 48 T CA 0.193 61.454 62.100 -1.398 0.000 1.010 48 T CB -0.812 67.023 68.868 -1.722 0.000 0.984 48 T HN 0.691 nan 8.240 nan 0.000 0.537 49 T N -1.253 113.019 114.554 -0.470 0.000 2.881 49 T HA 0.489 4.839 4.350 -0.000 0.000 0.278 49 T C 1.017 175.639 174.700 -0.130 0.000 0.982 49 T CA -0.779 61.182 62.100 -0.232 0.000 0.989 49 T CB 1.833 70.621 68.868 -0.133 0.000 1.058 49 T HN 0.004 nan 8.240 nan 0.000 0.529 50 K N 0.252 120.612 120.400 -0.066 0.000 2.155 50 K HA -0.027 4.293 4.320 -0.000 0.000 0.203 50 K C 2.077 178.665 176.600 -0.020 0.000 1.052 50 K CA 1.617 57.882 56.287 -0.036 0.000 0.948 50 K CB -0.472 32.016 32.500 -0.021 0.000 0.728 50 K HN 0.806 nan 8.250 nan 0.000 0.448 51 E N -0.964 119.238 120.200 0.002 0.000 2.051 51 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 51 E C 1.725 178.320 176.600 -0.008 0.000 0.991 51 E CA 1.129 57.554 56.400 0.041 0.000 0.799 51 E CB -0.306 29.476 29.700 0.137 0.000 0.748 51 E HN 0.461 nan 8.360 nan 0.000 0.449 52 Y N 1.601 121.745 120.300 -0.260 0.000 2.165 52 Y HA -0.279 4.271 4.550 -0.000 0.000 0.286 52 Y C 2.508 178.284 175.900 -0.206 0.000 1.155 52 Y CA 2.339 60.165 58.100 -0.456 0.000 1.164 52 Y CB -0.241 37.726 38.460 -0.822 0.000 0.978 52 Y HN 0.141 nan 8.280 nan 0.000 0.513 53 Q N 0.298 120.096 119.800 -0.004 0.000 2.014 53 Q HA -0.293 4.047 4.340 -0.000 0.000 0.207 53 Q C 2.084 178.147 176.000 0.105 0.000 0.993 53 Q CA 2.496 58.348 55.803 0.082 0.000 0.850 53 Q CB -0.236 28.518 28.738 0.027 0.000 0.916 53 Q HN 0.617 nan 8.270 nan 0.000 0.417 54 E N 0.188 120.400 120.200 0.020 0.000 2.065 54 E HA -0.244 4.106 4.350 -0.000 0.000 0.201 54 E C 2.137 178.764 176.600 0.045 0.000 1.016 54 E CA 1.743 58.163 56.400 0.034 0.000 0.818 54 E CB -0.285 29.421 29.700 0.010 0.000 0.749 54 E HN 0.426 nan 8.360 nan 0.000 0.453 55 L N 1.007 122.199 121.223 -0.051 0.000 2.083 55 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 55 L C 2.476 179.266 176.870 -0.134 0.000 1.083 55 L CA 0.752 55.530 54.840 -0.104 0.000 0.752 55 L CB -0.609 41.333 42.059 -0.195 0.000 0.899 55 L HN 0.190 nan 8.230 nan 0.000 0.433 56 N N 0.764 119.355 118.700 -0.182 0.000 2.106 56 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 56 N C 1.726 177.259 175.510 0.039 0.000 1.029 56 N CA 1.548 54.524 53.050 -0.124 0.000 0.848 56 N CB -0.199 38.248 38.487 -0.068 0.000 1.007 56 N HN 0.139 nan 8.380 nan 0.000 0.423 57 F N 1.447 121.431 119.950 0.057 0.000 2.546 57 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 57 F C 2.115 177.966 175.800 0.086 0.000 1.120 57 F CA 0.683 58.766 58.000 0.138 0.000 1.456 57 F CB -0.067 38.984 39.000 0.086 0.000 1.088 57 F HN 0.187 nan 8.300 nan 0.000 0.572 58 Q N -0.462 119.432 119.800 0.156 0.000 2.403 58 Q HA 0.030 4.370 4.340 -0.000 0.000 0.203 58 Q C 0.627 176.658 176.000 0.052 0.000 0.932 58 Q CA -0.058 55.800 55.803 0.092 0.000 0.945 58 Q CB 0.112 28.885 28.738 0.058 0.000 1.045 58 Q HN 0.249 nan 8.270 nan 0.000 0.511 59 R N 0.785 121.309 120.500 0.041 0.000 2.585 59 R HA -0.051 4.289 4.340 -0.000 0.000 0.275 59 R C 0.579 176.899 176.300 0.032 0.000 1.018 59 R CA 0.687 56.795 56.100 0.013 0.000 1.072 59 R CB 0.476 30.766 30.300 -0.018 0.000 0.953 59 R HN 0.282 nan 8.270 nan 0.000 0.419 60 E N 1.204 121.413 120.200 0.015 0.000 2.520 60 E HA 0.057 4.407 4.350 -0.000 0.000 0.201 60 E C 1.231 177.839 176.600 0.013 0.000 0.894 60 E CA 0.439 56.852 56.400 0.020 0.000 1.161 60 E CB 0.237 29.947 29.700 0.017 0.000 1.137 60 E HN 0.660 nan 8.360 nan 0.000 0.510 61 A N 0.902 123.721 122.820 -0.002 0.000 1.997 61 A HA 0.145 4.465 4.320 -0.000 0.000 0.212 61 A C 0.916 178.488 177.584 -0.020 0.000 1.178 61 A CA 0.014 52.046 52.037 -0.008 0.000 0.698 61 A CB 0.062 19.053 19.000 -0.015 0.000 0.842 61 A HN 0.145 nan 8.150 nan 0.000 0.458 62 L N 0.795 121.996 121.223 -0.037 0.000 2.326 62 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 62 L C -0.790 176.038 176.870 -0.069 0.000 1.092 62 L CA 0.617 55.417 54.840 -0.067 0.000 0.810 62 L CB 1.545 43.544 42.059 -0.101 0.000 1.153 62 L HN 0.055 nan 8.230 nan 0.000 0.439 63 T N 4.392 118.899 114.554 -0.077 0.000 2.840 63 T HA 0.532 4.882 4.350 -0.000 0.000 0.287 63 T C -0.963 173.661 174.700 -0.126 0.000 0.991 63 T CA -0.390 61.668 62.100 -0.069 0.000 0.964 63 T CB 1.426 70.301 68.868 0.011 0.000 0.954 63 T HN 0.315 nan 8.240 nan 0.000 0.438 64 V N 4.872 124.683 119.914 -0.171 0.000 2.357 64 V HA 0.403 4.523 4.120 -0.000 0.000 0.284 64 V C -0.272 175.756 176.094 -0.109 0.000 1.018 64 V CA -1.026 61.153 62.300 -0.202 0.000 0.841 64 V CB 0.975 32.569 31.823 -0.381 0.000 0.991 64 V HN 1.002 nan 8.190 nan 0.000 0.437 65 N N 3.835 122.464 118.700 -0.119 0.000 2.568 65 N HA -0.114 4.626 4.740 -0.000 0.000 0.277 65 N C -2.218 173.217 175.510 -0.125 0.000 1.200 65 N CA 0.390 53.368 53.050 -0.120 0.000 0.702 65 N CB -0.729 37.733 38.487 -0.042 0.000 0.889 65 N HN 0.488 nan 8.380 nan 0.000 0.546 66 P HA 0.277 nan 4.420 nan 0.000 0.282 66 P C -0.281 177.059 177.300 0.066 0.000 1.286 66 P CA -0.170 62.980 63.100 0.083 0.000 0.777 66 P CB 0.753 32.542 31.700 0.148 0.000 1.184 67 A N -0.428 122.580 122.820 0.313 0.000 2.676 67 A HA 0.336 4.656 4.320 -0.000 0.000 0.258 67 A C 0.145 177.896 177.584 0.279 0.000 0.898 67 A CA -0.322 51.867 52.037 0.254 0.000 1.087 67 A CB -0.169 18.966 19.000 0.225 0.000 1.214 67 A HN 0.584 nan 8.150 nan 0.000 0.474 68 K N -1.497 119.001 120.400 0.164 0.000 2.548 68 K HA 0.902 5.222 4.320 -0.000 0.000 0.282 68 K C -0.524 176.095 176.600 0.031 0.000 1.006 68 K CA -0.425 55.939 56.287 0.128 0.000 0.892 68 K CB 1.652 34.156 32.500 0.007 0.000 1.499 68 K HN 0.524 nan 8.250 nan 0.000 0.433 69 A N 0.225 123.068 122.820 0.037 0.000 2.443 69 A HA 0.729 5.049 4.320 -0.000 0.000 0.278 69 A C -0.270 177.343 177.584 0.048 0.000 1.252 69 A CA -0.591 51.415 52.037 -0.052 0.000 0.816 69 A CB 0.562 19.451 19.000 -0.185 0.000 1.369 69 A HN 1.062 nan 8.150 nan 0.000 0.446 70 C N -1.446 117.868 119.300 0.023 0.000 2.403 70 C HA 0.494 4.954 4.460 -0.000 0.000 0.361 70 C C 1.531 176.541 174.990 0.034 0.000 1.274 70 C CA -0.268 58.766 59.018 0.025 0.000 2.433 70 C CB -0.026 27.733 27.740 0.032 0.000 2.323 70 C HN 0.953 nan 8.230 nan 0.000 0.614 71 Q N 1.813 121.602 119.800 -0.018 0.000 1.985 71 Q HA -0.143 4.197 4.340 -0.000 0.000 0.207 71 Q C -0.198 175.786 176.000 -0.026 0.000 0.996 71 Q CA 2.698 58.484 55.803 -0.028 0.000 0.851 71 Q CB -1.284 27.418 28.738 -0.061 0.000 0.921 71 Q HN 0.758 nan 8.270 nan 0.000 0.418 72 P HA -0.234 nan 4.420 nan 0.000 0.218 72 P C 1.490 178.557 177.300 -0.388 0.000 1.152 72 P CA 1.204 64.192 63.100 -0.187 0.000 0.857 72 P CB -0.155 31.480 31.700 -0.108 0.000 0.787 73 L N 0.260 121.260 121.223 -0.371 0.000 2.081 73 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 73 L C 2.490 179.499 176.870 0.231 0.000 1.080 73 L CA 2.577 57.282 54.840 -0.225 0.000 0.754 73 L CB -1.591 40.468 42.059 0.001 0.000 0.893 73 L HN -0.004 nan 8.230 nan 0.000 0.433 74 G N -1.788 107.147 108.800 0.225 0.000 2.430 74 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.216 74 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.216 74 G C 1.554 176.676 174.900 0.370 0.000 1.146 74 G CA 0.512 45.882 45.100 0.449 0.000 0.793 74 G HN 0.616 nan 8.290 nan 0.000 0.537 75 A N 0.205 123.109 122.820 0.141 0.000 1.969 75 A HA 0.183 4.503 4.320 -0.000 0.000 0.218 75 A C 2.532 180.147 177.584 0.052 0.000 1.169 75 A CA 1.466 53.528 52.037 0.042 0.000 0.635 75 A CB -0.452 18.542 19.000 -0.009 0.000 0.810 75 A HN 0.201 nan 8.150 nan 0.000 0.445 76 V N -0.222 119.742 119.914 0.082 0.000 2.223 76 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 76 V C 2.420 178.628 176.094 0.191 0.000 1.045 76 V CA 1.999 64.377 62.300 0.130 0.000 1.000 76 V CB -0.819 31.096 31.823 0.152 0.000 0.635 76 V HN 0.585 nan 8.190 nan 0.000 0.445 77 L N 0.157 121.571 121.223 0.318 0.000 1.991 77 L HA -0.291 4.049 4.340 -0.000 0.000 0.221 77 L C 2.547 179.528 176.870 0.186 0.000 1.079 77 L CA 2.672 57.632 54.840 0.200 0.000 0.778 77 L CB -1.215 41.070 42.059 0.377 0.000 0.893 77 L HN 0.572 nan 8.230 nan 0.000 0.437 78 C N -0.627 118.760 119.300 0.146 0.000 2.367 78 C HA -0.269 4.191 4.460 -0.000 0.000 0.276 78 C C 3.008 178.044 174.990 0.076 0.000 1.195 78 C CA 1.481 60.367 59.018 -0.221 0.000 1.756 78 C CB -1.575 25.564 27.740 -1.000 0.000 2.046 78 C HN 0.734 nan 8.230 nan 0.000 0.453 79 A N -0.123 122.754 122.820 0.095 0.000 2.032 79 A HA -0.133 4.187 4.320 -0.000 0.000 0.221 79 A C 2.126 179.882 177.584 0.287 0.000 1.165 79 A CA 1.925 54.085 52.037 0.205 0.000 0.645 79 A CB -0.747 18.301 19.000 0.081 0.000 0.807 79 A HN 0.747 nan 8.150 nan 0.000 0.453 80 L N -0.825 120.489 121.223 0.151 0.000 2.362 80 L HA -0.090 4.250 4.340 -0.000 0.000 0.219 80 L C 2.345 179.221 176.870 0.010 0.000 1.134 80 L CA 0.633 55.522 54.840 0.082 0.000 0.807 80 L CB -0.352 41.703 42.059 -0.007 0.000 0.927 80 L HN 0.494 nan 8.230 nan 0.000 0.447 81 G N -0.784 107.976 108.800 -0.067 0.000 3.061 81 G HA2 0.029 3.989 3.960 -0.000 0.000 0.208 81 G HA3 0.029 3.989 3.960 -0.000 0.000 0.208 81 G C -0.024 174.488 174.900 -0.647 0.000 1.175 81 G CA -0.175 44.696 45.100 -0.382 0.000 0.812 81 G HN 0.099 nan 8.290 nan 0.000 0.523 82 F N -0.393 119.545 119.950 -0.021 0.000 2.520 82 F HA 0.364 4.891 4.527 -0.000 0.000 0.322 82 F C 0.394 176.180 175.800 -0.023 0.000 1.103 82 F CA -1.731 56.253 58.000 -0.026 0.000 0.926 82 F CB 1.537 40.520 39.000 -0.028 0.000 1.154 82 F HN 0.002 nan 8.300 nan 0.000 0.453 83 E N 3.610 123.870 120.200 0.100 0.000 2.829 83 E HA -0.127 4.223 4.350 -0.000 0.000 0.264 83 E C 0.058 176.650 176.600 -0.014 0.000 0.922 83 E CA 0.341 56.756 56.400 0.026 0.000 0.960 83 E CB 0.261 29.955 29.700 -0.011 0.000 0.918 83 E HN 0.628 nan 8.360 nan 0.000 0.497 84 K N 2.167 122.501 120.400 -0.109 0.000 3.100 84 K HA -0.213 4.107 4.320 -0.000 0.000 0.261 84 K C -0.724 175.717 176.600 -0.264 0.000 0.920 84 K CA 0.977 56.963 56.287 -0.501 0.000 0.683 84 K CB -1.561 30.628 32.500 -0.518 0.000 1.349 84 K HN 0.475 nan 8.250 nan 0.000 0.473 85 T N 0.929 115.529 114.554 0.076 0.000 2.867 85 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 85 T C -0.166 174.722 174.700 0.312 0.000 1.000 85 T CA -0.693 61.496 62.100 0.148 0.000 1.042 85 T CB 1.309 70.282 68.868 0.175 0.000 0.973 85 T HN 0.164 nan 8.240 nan 0.000 0.465 86 M N 4.779 124.547 119.600 0.280 0.000 2.125 86 M HA 0.454 4.934 4.480 -0.000 0.000 0.321 86 M C -2.827 173.612 176.300 0.230 0.000 0.983 86 M CA -2.730 52.755 55.300 0.308 0.000 0.934 86 M CB 1.262 34.082 32.600 0.368 0.000 1.542 86 M HN 0.118 nan 8.290 nan 0.000 0.424 87 P HA 0.078 nan 4.420 nan 0.000 0.267 87 P C -1.995 175.445 177.300 0.233 0.000 1.209 87 P CA 0.348 63.554 63.100 0.177 0.000 0.763 87 P CB 0.006 31.797 31.700 0.151 0.000 0.816 88 Y N 4.349 124.701 120.300 0.088 0.000 2.326 88 Y HA 0.420 4.970 4.550 -0.000 0.000 0.329 88 Y C -1.082 174.880 175.900 0.104 0.000 0.973 88 Y CA -0.989 57.175 58.100 0.106 0.000 1.162 88 Y CB 1.244 39.763 38.460 0.099 0.000 1.147 88 Y HN 0.037 nan 8.280 nan 0.000 0.456 89 V N 6.391 126.364 119.914 0.097 0.000 2.294 89 V HA 0.117 4.237 4.120 -0.000 0.000 0.272 89 V C -0.308 175.849 176.094 0.106 0.000 1.027 89 V CA -0.769 61.625 62.300 0.156 0.000 0.823 89 V CB 0.176 32.115 31.823 0.194 0.000 1.030 89 V HN 0.768 nan 8.190 nan 0.000 0.457 90 H N 4.179 123.343 119.070 0.158 0.000 3.232 90 H HA 0.548 5.104 4.556 -0.000 0.000 0.254 90 H C 0.447 175.805 175.328 0.050 0.000 1.213 90 H CA 1.087 57.221 56.048 0.142 0.000 1.503 90 H CB -0.117 29.747 29.762 0.170 0.000 1.563 90 H HN 0.906 nan 8.280 nan 0.000 0.490 91 G N 1.910 110.576 108.800 -0.224 0.000 2.356 91 G HA2 0.173 4.133 3.960 -0.000 0.000 0.281 91 G HA3 0.173 4.133 3.960 -0.000 0.000 0.281 91 G C -0.922 173.906 174.900 -0.121 0.000 1.246 91 G CA -0.439 44.533 45.100 -0.213 0.000 0.889 91 G HN 0.667 nan 8.290 nan 0.000 0.486 92 S N -0.167 115.486 115.700 -0.078 0.000 2.568 92 S HA 0.251 4.721 4.470 -0.000 0.000 0.282 92 S C 1.408 175.981 174.600 -0.046 0.000 1.338 92 S CA 0.712 58.878 58.200 -0.055 0.000 1.045 92 S CB 1.447 64.620 63.200 -0.046 0.000 0.873 92 S HN 1.040 nan 8.310 nan 0.000 0.516 93 Q N 2.184 121.961 119.800 -0.039 0.000 2.245 93 Q HA 0.039 4.379 4.340 -0.000 0.000 0.201 93 Q C 1.876 177.854 176.000 -0.037 0.000 0.955 93 Q CA 1.108 56.891 55.803 -0.033 0.000 0.870 93 Q CB -0.957 27.767 28.738 -0.024 0.000 0.945 93 Q HN 0.857 nan 8.270 nan 0.000 0.461 94 G N 1.280 110.061 108.800 -0.032 0.000 2.469 94 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 94 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 94 G C 1.381 176.267 174.900 -0.024 0.000 1.136 94 G CA 1.063 46.159 45.100 -0.006 0.000 0.759 94 G HN 0.494 nan 8.290 nan 0.000 0.562 95 C N 0.026 119.237 119.300 -0.148 0.000 2.413 95 C HA -0.059 4.401 4.460 -0.000 0.000 0.278 95 C C 2.997 177.537 174.990 -0.749 0.000 1.224 95 C CA 0.793 59.530 59.018 -0.468 0.000 1.732 95 C CB -1.163 26.367 27.740 -0.349 0.000 2.050 95 C HN 0.307 nan 8.230 nan 0.000 0.463 96 V N 1.910 121.676 119.914 -0.247 0.000 2.439 96 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 96 V C 2.692 178.792 176.094 0.011 0.000 1.074 96 V CA 2.233 64.591 62.300 0.098 0.000 1.076 96 V CB -1.506 30.403 31.823 0.143 0.000 0.664 96 V HN 0.649 nan 8.190 nan 0.000 0.461 97 A N -0.740 122.032 122.820 -0.081 0.000 1.851 97 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 97 A C 2.070 179.558 177.584 -0.160 0.000 1.195 97 A CA 2.206 54.175 52.037 -0.115 0.000 0.622 97 A CB -0.862 18.034 19.000 -0.174 0.000 0.831 97 A HN 0.551 nan 8.150 nan 0.000 0.444 98 Y N -1.188 118.981 120.300 -0.218 0.000 2.181 98 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 98 Y C 2.254 178.148 175.900 -0.009 0.000 1.146 98 Y CA 1.599 59.598 58.100 -0.169 0.000 1.164 98 Y CB -0.570 37.708 38.460 -0.304 0.000 0.982 98 Y HN 0.319 nan 8.280 nan 0.000 0.515 99 F N 0.266 120.314 119.950 0.164 0.000 2.025 99 F HA -0.290 4.237 4.527 -0.000 0.000 0.297 99 F C 2.372 178.290 175.800 0.198 0.000 1.132 99 F CA 1.515 59.589 58.000 0.124 0.000 1.191 99 F CB -1.365 37.730 39.000 0.158 0.000 0.963 99 F HN -0.068 nan 8.300 nan 0.000 0.481 100 R N -0.128 120.629 120.500 0.428 0.000 2.097 100 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 100 R C 2.444 178.917 176.300 0.289 0.000 1.135 100 R CA 1.749 58.062 56.100 0.355 0.000 0.934 100 R CB -1.255 29.173 30.300 0.213 0.000 0.846 100 R HN 0.242 nan 8.270 nan 0.000 0.431 101 S N -0.029 115.768 115.700 0.161 0.000 2.389 101 S HA -0.265 4.205 4.470 -0.000 0.000 0.231 101 S C 1.785 176.482 174.600 0.161 0.000 1.052 101 S CA 1.554 59.803 58.200 0.081 0.000 1.053 101 S CB -0.345 62.815 63.200 -0.067 0.000 0.886 101 S HN 0.389 nan 8.310 nan 0.000 0.456 102 Y N 0.782 121.133 120.300 0.086 0.000 2.092 102 Y HA -0.038 4.512 4.550 -0.000 0.000 0.282 102 Y C 1.969 178.022 175.900 0.256 0.000 1.126 102 Y CA 1.739 59.899 58.100 0.100 0.000 1.111 102 Y CB -0.990 37.505 38.460 0.058 0.000 0.987 102 Y HN 0.305 nan 8.280 nan 0.000 0.489 103 F N 0.968 121.229 119.950 0.519 0.000 2.120 103 F HA -0.290 4.237 4.527 -0.000 0.000 0.300 103 F C 2.237 178.272 175.800 0.392 0.000 1.095 103 F CA 1.560 59.869 58.000 0.516 0.000 1.249 103 F CB -1.148 38.217 39.000 0.609 0.000 0.995 103 F HN 0.196 nan 8.300 nan 0.000 0.480 104 N N 0.370 119.338 118.700 0.445 0.000 2.104 104 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 104 N C 1.922 177.519 175.510 0.145 0.000 1.024 104 N CA 1.254 54.457 53.050 0.254 0.000 0.853 104 N CB -0.491 38.080 38.487 0.140 0.000 1.008 104 N HN 0.343 nan 8.380 nan 0.000 0.424 105 R N -0.358 120.198 120.500 0.094 0.000 2.148 105 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 105 R C 1.848 178.316 176.300 0.279 0.000 1.103 105 R CA 0.937 57.042 56.100 0.009 0.000 0.983 105 R CB -0.221 29.775 30.300 -0.506 0.000 0.874 105 R HN 0.416 nan 8.270 nan 0.000 0.451 106 H N -0.941 118.231 119.070 0.170 0.000 2.486 106 H HA 0.060 4.616 4.556 -0.000 0.000 0.287 106 H C 0.971 176.042 175.328 -0.428 0.000 1.010 106 H CA 1.070 57.022 56.048 -0.160 0.000 1.324 106 H CB 0.255 29.834 29.762 -0.305 0.000 1.446 106 H HN 0.024 nan 8.280 nan 0.000 0.537 107 F N 0.188 120.017 119.950 -0.202 0.000 2.678 107 F HA 0.319 4.846 4.527 -0.000 0.000 0.291 107 F C 0.566 176.079 175.800 -0.478 0.000 1.123 107 F CA 0.179 57.844 58.000 -0.558 0.000 1.395 107 F CB 0.240 39.164 39.000 -0.126 0.000 1.121 107 F HN -0.108 nan 8.300 nan 0.000 0.592 108 R N 1.722 122.189 120.500 -0.056 0.000 3.146 108 R HA -0.156 4.184 4.340 -0.000 0.000 0.250 108 R C -1.186 175.139 176.300 0.042 0.000 0.912 108 R CA 0.409 56.476 56.100 -0.055 0.000 0.633 108 R CB -1.788 28.412 30.300 -0.167 0.000 1.180 108 R HN 0.183 nan 8.270 nan 0.000 0.464 109 E N -0.981 119.275 120.200 0.094 0.000 2.401 109 E HA 0.309 4.659 4.350 -0.000 0.000 0.280 109 E C -2.780 173.878 176.600 0.096 0.000 1.039 109 E CA -2.115 54.344 56.400 0.098 0.000 0.814 109 E CB 1.586 31.348 29.700 0.103 0.000 1.275 109 E HN -0.119 nan 8.360 nan 0.000 0.448 110 P HA 0.230 nan 4.420 nan 0.000 0.282 110 P C -0.576 176.789 177.300 0.109 0.000 1.274 110 P CA -0.374 62.764 63.100 0.063 0.000 0.770 110 P CB 0.636 32.341 31.700 0.010 0.000 0.867 111 V N 4.245 124.239 119.914 0.133 0.000 2.364 111 V HA 0.177 4.297 4.120 -0.000 0.000 0.272 111 V C 0.153 176.319 176.094 0.120 0.000 1.036 111 V CA -0.005 62.394 62.300 0.164 0.000 0.880 111 V CB 1.015 33.029 31.823 0.318 0.000 0.991 111 V HN 0.493 nan 8.190 nan 0.000 0.460 112 S N 4.441 120.183 115.700 0.069 0.000 2.422 112 S HA 0.592 5.061 4.470 -0.000 0.000 0.298 112 S C -0.433 174.186 174.600 0.031 0.000 1.118 112 S CA -0.501 57.698 58.200 -0.001 0.000 1.083 112 S CB 1.064 64.199 63.200 -0.109 0.000 0.971 112 S HN 0.887 nan 8.310 nan 0.000 0.478 113 C N 3.909 123.229 119.300 0.033 0.000 3.171 113 C HA 0.775 5.235 4.460 -0.000 0.000 0.336 113 C C -0.651 174.366 174.990 0.045 0.000 1.198 113 C CA -0.437 58.633 59.018 0.086 0.000 1.319 113 C CB 0.352 28.201 27.740 0.182 0.000 1.682 113 C HN 0.896 nan 8.230 nan 0.000 0.497 114 V N 2.234 122.174 119.914 0.044 0.000 3.158 114 V HA 0.998 5.118 4.120 -0.000 0.000 0.315 114 V C -0.434 175.590 176.094 -0.117 0.000 1.148 114 V CA -0.231 62.061 62.300 -0.014 0.000 1.042 114 V CB 1.737 33.572 31.823 0.019 0.000 1.101 114 V HN 1.248 nan 8.190 nan 0.000 0.448 115 S N 0.009 115.605 115.700 -0.174 0.000 2.540 115 S HA 0.501 4.971 4.470 -0.000 0.000 0.275 115 S C -0.726 173.718 174.600 -0.259 0.000 1.123 115 S CA -0.003 58.047 58.200 -0.249 0.000 0.907 115 S CB 1.710 64.858 63.200 -0.087 0.000 1.081 115 S HN 1.161 nan 8.310 nan 0.000 0.476 116 D N 1.938 122.159 120.400 -0.298 0.000 2.519 116 D HA 0.155 4.795 4.640 -0.000 0.000 0.238 116 D C 0.165 176.457 176.300 -0.014 0.000 1.192 116 D CA -0.251 53.703 54.000 -0.076 0.000 0.835 116 D CB -0.683 40.211 40.800 0.156 0.000 0.975 116 D HN 0.364 nan 8.370 nan 0.000 0.490 117 S N 0.198 115.873 115.700 -0.041 0.000 3.375 117 S HA -0.270 4.200 4.470 -0.000 0.000 0.235 117 S C 0.444 175.037 174.600 -0.012 0.000 0.683 117 S CA 0.291 58.478 58.200 -0.023 0.000 1.383 117 S CB -1.333 61.863 63.200 -0.006 0.000 1.014 117 S HN 0.523 nan 8.310 nan 0.000 0.393 118 M N 1.841 121.420 119.600 -0.034 0.000 2.242 118 M HA 0.234 4.714 4.480 -0.000 0.000 0.344 118 M C 1.196 177.486 176.300 -0.017 0.000 1.140 118 M CA 0.127 55.412 55.300 -0.025 0.000 1.160 118 M CB 0.737 33.287 32.600 -0.084 0.000 1.491 118 M HN 0.645 nan 8.290 nan 0.000 0.459 119 T N -2.612 111.943 114.554 0.001 0.000 2.598 119 T HA 0.281 4.631 4.350 -0.000 0.000 0.254 119 T C 0.755 175.456 174.700 0.002 0.000 0.889 119 T CA -0.832 61.269 62.100 0.001 0.000 1.091 119 T CB 0.934 69.808 68.868 0.009 0.000 1.437 119 T HN 0.734 nan 8.240 nan 0.000 0.542 120 E N 0.861 121.062 120.200 0.002 0.000 2.072 120 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 120 E C 1.329 177.931 176.600 0.003 0.000 0.985 120 E CA 1.538 57.936 56.400 -0.003 0.000 0.801 120 E CB -0.324 29.374 29.700 -0.003 0.000 0.750 120 E HN 0.735 nan 8.360 nan 0.000 0.452 121 D N -0.123 120.290 120.400 0.023 0.000 2.411 121 D HA -0.131 4.509 4.640 -0.000 0.000 0.226 121 D C 0.817 177.161 176.300 0.074 0.000 0.988 121 D CA 0.935 54.965 54.000 0.050 0.000 0.938 121 D CB 0.158 40.995 40.800 0.063 0.000 0.883 121 D HN 0.207 nan 8.370 nan 0.000 0.525 122 A N -0.698 122.150 122.820 0.046 0.000 2.508 122 A HA 0.631 4.951 4.320 -0.000 0.000 0.250 122 A C 1.908 179.503 177.584 0.018 0.000 1.208 122 A CA 0.259 52.339 52.037 0.071 0.000 0.960 122 A CB 0.265 19.316 19.000 0.084 0.000 1.099 122 A HN 0.241 nan 8.150 nan 0.000 0.542 123 A N 0.163 122.965 122.820 -0.029 0.000 2.239 123 A HA 0.244 4.564 4.320 -0.000 0.000 0.209 123 A C 1.767 179.280 177.584 -0.119 0.000 1.171 123 A CA 1.740 53.745 52.037 -0.052 0.000 0.768 123 A CB -0.582 18.389 19.000 -0.049 0.000 0.790 123 A HN 1.068 nan 8.150 nan 0.000 0.478 124 V N -6.046 113.728 119.914 -0.233 0.000 2.911 124 V HA 0.321 4.441 4.120 -0.000 0.000 0.237 124 V C 1.117 176.868 176.094 -0.572 0.000 1.156 124 V CA 0.270 62.262 62.300 -0.513 0.000 1.180 124 V CB -0.797 30.480 31.823 -0.910 0.000 0.932 124 V HN 0.234 nan 8.190 nan 0.000 0.483 125 F N 2.670 122.656 119.950 0.060 0.000 2.925 125 F HA 0.802 5.329 4.527 -0.000 0.000 0.302 125 F C 1.527 177.397 175.800 0.116 0.000 1.189 125 F CA -0.439 57.603 58.000 0.070 0.000 1.346 125 F CB -0.195 38.831 39.000 0.043 0.000 0.954 125 F HN 0.457 nan 8.300 nan 0.000 0.506 126 G N 0.977 109.910 108.800 0.221 0.000 2.591 126 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.278 126 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.278 126 G C 0.832 175.924 174.900 0.322 0.000 1.293 126 G CA -0.130 45.150 45.100 0.300 0.000 0.930 126 G HN 0.860 nan 8.290 nan 0.000 0.562 127 G N -1.865 107.235 108.800 0.500 0.000 4.637 127 G HA2 0.454 4.414 3.960 -0.000 0.000 0.294 127 G HA3 0.454 4.414 3.960 -0.000 0.000 0.294 127 G C 0.765 175.952 174.900 0.480 0.000 1.215 127 G CA 1.189 46.542 45.100 0.422 0.000 0.943 127 G HN 0.752 nan 8.290 nan 0.000 0.572 128 Q N 0.067 119.998 119.800 0.217 0.000 2.443 128 Q HA -0.126 4.214 4.340 -0.000 0.000 0.213 128 Q C 2.122 178.053 176.000 -0.115 0.000 0.982 128 Q CA 1.646 57.252 55.803 -0.329 0.000 0.894 128 Q CB 0.116 28.452 28.738 -0.671 0.000 0.947 128 Q HN 0.566 nan 8.270 nan 0.000 0.480 129 Q N -0.823 118.975 119.800 -0.003 0.000 2.287 129 Q HA 0.090 4.430 4.340 -0.000 0.000 0.201 129 Q C 1.172 177.152 176.000 -0.033 0.000 0.946 129 Q CA 1.304 57.072 55.803 -0.060 0.000 0.868 129 Q CB -0.058 28.665 28.738 -0.025 0.000 0.967 129 Q HN 0.432 nan 8.270 nan 0.000 0.516 130 N N -0.170 118.583 118.700 0.088 0.000 2.334 130 N HA -0.155 4.585 4.740 -0.000 0.000 0.187 130 N C 1.205 176.818 175.510 0.172 0.000 1.016 130 N CA 1.445 54.569 53.050 0.125 0.000 0.879 130 N CB -0.148 38.445 38.487 0.177 0.000 0.965 130 N HN 0.295 nan 8.380 nan 0.000 0.438 131 M N 0.747 120.452 119.600 0.176 0.000 2.134 131 M HA 0.037 4.517 4.480 -0.000 0.000 0.262 131 M C 1.498 177.762 176.300 -0.059 0.000 1.076 131 M CA 1.488 56.866 55.300 0.129 0.000 1.143 131 M CB -0.028 32.650 32.600 0.130 0.000 1.346 131 M HN -0.132 nan 8.290 nan 0.000 0.421 132 K N 0.297 120.548 120.400 -0.248 0.000 1.977 132 K HA -0.207 4.113 4.320 -0.000 0.000 0.218 132 K C 1.803 177.940 176.600 -0.772 0.000 1.051 132 K CA 2.007 57.863 56.287 -0.718 0.000 0.953 132 K CB -0.702 31.071 32.500 -1.210 0.000 0.727 132 K HN 0.403 nan 8.250 nan 0.000 0.445 133 D N -0.071 119.971 120.400 -0.597 0.000 2.104 133 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 133 D C 1.994 178.261 176.300 -0.056 0.000 0.994 133 D CA 1.501 55.340 54.000 -0.268 0.000 0.830 133 D CB -0.589 40.136 40.800 -0.124 0.000 0.959 133 D HN 0.411 nan 8.370 nan 0.000 0.452 134 G N 1.561 110.377 108.800 0.026 0.000 2.586 134 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 134 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 134 G C 1.824 176.882 174.900 0.263 0.000 1.216 134 G CA 0.667 45.887 45.100 0.199 0.000 0.786 134 G HN 0.261 nan 8.290 nan 0.000 0.583 135 L N 0.211 121.535 121.223 0.168 0.000 2.081 135 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 135 L C 3.005 179.923 176.870 0.080 0.000 1.080 135 L CA 1.759 56.648 54.840 0.081 0.000 0.754 135 L CB -0.476 41.558 42.059 -0.041 0.000 0.893 135 L HN 0.425 nan 8.230 nan 0.000 0.433 136 Q N 0.165 120.010 119.800 0.075 0.000 2.020 136 Q HA -0.182 4.158 4.340 -0.000 0.000 0.198 136 Q C 2.052 178.087 176.000 0.059 0.000 0.974 136 Q CA 1.408 57.259 55.803 0.080 0.000 0.829 136 Q CB 0.104 28.953 28.738 0.186 0.000 0.894 136 Q HN 0.502 nan 8.270 nan 0.000 0.433 137 N N 0.625 119.371 118.700 0.078 0.000 2.043 137 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 137 N C 2.054 177.605 175.510 0.069 0.000 1.037 137 N CA 1.458 54.545 53.050 0.062 0.000 0.851 137 N CB -0.984 37.548 38.487 0.074 0.000 1.027 137 N HN 0.374 nan 8.380 nan 0.000 0.422 138 C N 2.011 121.410 119.300 0.165 0.000 2.388 138 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 138 C C 2.727 177.826 174.990 0.181 0.000 1.210 138 C CA 1.131 60.304 59.018 0.258 0.000 1.743 138 C CB -1.018 26.960 27.740 0.395 0.000 2.047 138 C HN 0.463 nan 8.230 nan 0.000 0.458 139 K N 0.230 120.693 120.400 0.105 0.000 2.113 139 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 139 K C 1.923 178.497 176.600 -0.043 0.000 1.047 139 K CA 1.881 58.159 56.287 -0.016 0.000 0.928 139 K CB -0.346 31.985 32.500 -0.282 0.000 0.716 139 K HN 0.594 nan 8.250 nan 0.000 0.446 140 A N -0.262 122.529 122.820 -0.047 0.000 2.123 140 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 140 A C 1.865 179.397 177.584 -0.088 0.000 1.152 140 A CA 1.179 53.181 52.037 -0.060 0.000 0.728 140 A CB -0.091 18.880 19.000 -0.049 0.000 0.814 140 A HN 0.345 nan 8.150 nan 0.000 0.464 141 T N -1.552 112.908 114.554 -0.157 0.000 2.925 141 T HA 0.036 4.386 4.350 -0.000 0.000 0.245 141 T C 1.022 175.456 174.700 -0.444 0.000 1.025 141 T CA 1.130 62.998 62.100 -0.385 0.000 1.149 141 T CB -0.293 68.168 68.868 -0.679 0.000 0.866 141 T HN 0.498 nan 8.240 nan 0.000 0.437 142 Y N 1.428 121.811 120.300 0.139 0.000 2.493 142 Y HA 0.392 4.942 4.550 -0.000 0.000 0.275 142 Y C 0.615 176.664 175.900 0.249 0.000 1.183 142 Y CA -0.948 57.273 58.100 0.202 0.000 1.258 142 Y CB -0.655 37.944 38.460 0.232 0.000 1.108 142 Y HN 0.087 nan 8.280 nan 0.000 0.521 143 K N 1.006 121.526 120.400 0.200 0.000 3.679 143 K HA -0.209 4.111 4.320 -0.000 0.000 0.274 143 K C -2.636 174.040 176.600 0.126 0.000 0.839 143 K CA 0.026 56.393 56.287 0.133 0.000 0.663 143 K CB -1.186 31.362 32.500 0.080 0.000 1.638 143 K HN 0.326 nan 8.250 nan 0.000 0.443 144 P HA 0.099 nan 4.420 nan 0.000 0.276 144 P C -0.165 177.211 177.300 0.126 0.000 1.261 144 P CA -0.290 62.821 63.100 0.017 0.000 0.800 144 P CB 0.853 32.688 31.700 0.224 0.000 1.066 145 D N -0.684 119.697 120.400 -0.032 0.000 2.271 145 D HA 0.139 4.779 4.640 -0.000 0.000 0.206 145 D C 0.729 176.937 176.300 -0.152 0.000 0.967 145 D CA 1.142 55.154 54.000 0.020 0.000 0.867 145 D CB 0.284 41.043 40.800 -0.067 0.000 0.960 145 D HN 0.331 nan 8.370 nan 0.000 0.509 146 M N 0.216 119.714 119.600 -0.171 0.000 2.465 146 M HA 0.378 4.858 4.480 -0.000 0.000 0.284 146 M C -2.086 174.130 176.300 -0.140 0.000 1.212 146 M CA -0.524 54.551 55.300 -0.375 0.000 0.910 146 M CB 2.474 34.932 32.600 -0.237 0.000 1.725 146 M HN -0.323 nan 8.290 nan 0.000 0.477 147 I N 3.415 123.871 120.570 -0.190 0.000 2.439 147 I HA 0.544 4.714 4.170 -0.000 0.000 0.283 147 I C -0.309 175.727 176.117 -0.135 0.000 1.023 147 I CA -0.796 60.495 61.300 -0.015 0.000 1.100 147 I CB 1.841 39.914 38.000 0.121 0.000 1.238 147 I HN 0.821 nan 8.210 nan 0.000 0.445 148 A N 6.673 129.446 122.820 -0.078 0.000 2.301 148 A HA 0.694 5.014 4.320 -0.000 0.000 0.298 148 A C -0.393 177.177 177.584 -0.023 0.000 1.185 148 A CA -0.375 51.585 52.037 -0.128 0.000 0.830 148 A CB 0.870 19.787 19.000 -0.137 0.000 1.112 148 A HN 0.468 nan 8.150 nan 0.000 0.508 149 V N 2.993 122.877 119.914 -0.050 0.000 2.435 149 V HA 0.533 4.653 4.120 -0.000 0.000 0.290 149 V C 0.285 176.417 176.094 0.064 0.000 1.030 149 V CA -0.099 62.227 62.300 0.042 0.000 0.881 149 V CB 1.447 33.222 31.823 -0.080 0.000 0.983 149 V HN 1.038 nan 8.190 nan 0.000 0.445 150 S N 2.422 118.195 115.700 0.122 0.000 2.806 150 S HA 0.872 5.342 4.470 -0.000 0.000 0.315 150 S C -0.119 174.536 174.600 0.092 0.000 1.127 150 S CA -0.706 57.531 58.200 0.062 0.000 0.918 150 S CB 2.252 65.478 63.200 0.043 0.000 1.240 150 S HN 0.909 nan 8.310 nan 0.000 0.552 151 T N -0.971 113.608 114.554 0.043 0.000 2.883 151 T HA 0.764 5.114 4.350 -0.000 0.000 0.296 151 T C -0.407 174.317 174.700 0.041 0.000 1.117 151 T CA -0.816 61.310 62.100 0.043 0.000 1.006 151 T CB 1.249 70.101 68.868 -0.027 0.000 1.191 151 T HN 0.719 nan 8.240 nan 0.000 0.508 152 T N -1.780 112.791 114.554 0.030 0.000 2.937 152 T HA 0.407 4.757 4.350 -0.000 0.000 0.283 152 T C 1.547 176.249 174.700 0.005 0.000 1.012 152 T CA -0.550 61.575 62.100 0.043 0.000 0.997 152 T CB 0.526 69.419 68.868 0.041 0.000 1.136 152 T HN 0.823 nan 8.240 nan 0.000 0.551 153 C N 0.471 119.778 119.300 0.012 0.000 2.336 153 C HA -0.196 4.264 4.460 -0.000 0.000 0.275 153 C C 2.741 177.796 174.990 0.109 0.000 1.175 153 C CA 1.555 60.610 59.018 0.061 0.000 1.771 153 C CB -1.531 26.259 27.740 0.085 0.000 2.030 153 C HN 1.002 nan 8.230 nan 0.000 0.442 154 M N 1.638 121.269 119.600 0.051 0.000 2.800 154 M HA -0.268 4.212 4.480 -0.000 0.000 0.271 154 M C 2.430 178.750 176.300 0.035 0.000 1.059 154 M CA 2.890 58.210 55.300 0.033 0.000 1.071 154 M CB -0.708 31.883 32.600 -0.015 0.000 1.227 154 M HN 0.377 nan 8.290 nan 0.000 0.505 155 A N 0.073 122.879 122.820 -0.024 0.000 1.957 155 A HA -0.318 4.002 4.320 -0.000 0.000 0.224 155 A C 1.896 179.510 177.584 0.049 0.000 1.287 155 A CA 2.529 54.543 52.037 -0.039 0.000 0.682 155 A CB -1.252 17.692 19.000 -0.093 0.000 0.833 155 A HN 0.796 nan 8.150 nan 0.000 0.482 156 E N -0.852 119.408 120.200 0.100 0.000 2.076 156 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 156 E C 2.298 179.030 176.600 0.221 0.000 0.979 156 E CA 1.108 57.622 56.400 0.190 0.000 0.807 156 E CB -0.727 29.101 29.700 0.214 0.000 0.761 156 E HN 0.420 nan 8.360 nan 0.000 0.454 157 V N 2.752 122.801 119.914 0.224 0.000 2.287 157 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 157 V C 2.540 178.678 176.094 0.074 0.000 1.053 157 V CA 1.971 64.349 62.300 0.130 0.000 1.027 157 V CB -0.667 31.205 31.823 0.081 0.000 0.646 157 V HN 0.363 nan 8.190 nan 0.000 0.447 158 I N -0.394 120.215 120.570 0.065 0.000 3.291 158 I HA 0.303 4.473 4.170 -0.000 0.000 0.279 158 I C 1.113 177.275 176.117 0.075 0.000 1.294 158 I CA 0.707 62.037 61.300 0.050 0.000 1.428 158 I CB -1.019 37.002 38.000 0.035 0.000 1.070 158 I HN 0.371 nan 8.210 nan 0.000 0.478 159 G N 2.541 111.398 108.800 0.095 0.000 2.515 159 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.208 159 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.208 159 G C -0.955 174.006 174.900 0.101 0.000 0.737 159 G CA 0.155 45.321 45.100 0.111 0.000 0.987 159 G HN 0.566 nan 8.290 nan 0.000 0.307 160 D N 0.802 121.228 120.400 0.044 0.000 2.350 160 D HA 0.427 5.067 4.640 -0.000 0.000 0.245 160 D C -0.367 175.816 176.300 -0.196 0.000 1.036 160 D CA -0.474 53.427 54.000 -0.164 0.000 0.848 160 D CB 1.538 42.096 40.800 -0.404 0.000 1.307 160 D HN 0.280 nan 8.370 nan 0.000 0.469 161 D N 3.009 123.270 120.400 -0.232 0.000 2.441 161 D HA 0.092 4.732 4.640 -0.000 0.000 0.221 161 D C 1.414 177.576 176.300 -0.229 0.000 1.156 161 D CA -0.215 53.783 54.000 -0.003 0.000 0.896 161 D CB 0.685 41.597 40.800 0.186 0.000 1.028 161 D HN 0.364 nan 8.370 nan 0.000 0.509 162 L N 3.402 124.485 121.223 -0.233 0.000 2.013 162 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 162 L C 2.201 178.749 176.870 -0.537 0.000 1.073 162 L CA 1.052 55.636 54.840 -0.425 0.000 0.753 162 L CB -0.541 41.346 42.059 -0.288 0.000 0.890 162 L HN 0.395 nan 8.230 nan 0.000 0.432 163 N N 0.142 118.486 118.700 -0.592 0.000 2.013 163 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 163 N C 1.757 177.117 175.510 -0.250 0.000 1.051 163 N CA 1.983 54.615 53.050 -0.696 0.000 0.851 163 N CB -0.267 38.063 38.487 -0.262 0.000 1.044 163 N HN 0.294 nan 8.380 nan 0.000 0.422 164 A N 0.161 122.968 122.820 -0.021 0.000 1.848 164 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 164 A C 2.141 179.797 177.584 0.120 0.000 1.220 164 A CA 2.024 54.114 52.037 0.089 0.000 0.645 164 A CB -1.579 17.544 19.000 0.206 0.000 0.842 164 A HN 0.390 nan 8.150 nan 0.000 0.451 165 F N -0.023 119.848 119.950 -0.132 0.000 2.082 165 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 165 F C 2.263 177.963 175.800 -0.167 0.000 1.091 165 F CA 1.578 59.494 58.000 -0.141 0.000 1.230 165 F CB -0.911 37.969 39.000 -0.200 0.000 0.983 165 F HN 0.170 nan 8.300 nan 0.000 0.485 166 I N -0.325 120.223 120.570 -0.038 0.000 2.252 166 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 166 I C 2.008 178.089 176.117 -0.060 0.000 1.102 166 I CA 1.222 62.450 61.300 -0.121 0.000 1.385 166 I CB -0.512 37.325 38.000 -0.273 0.000 1.064 166 I HN 0.149 nan 8.210 nan 0.000 0.414 167 N N 1.254 119.918 118.700 -0.060 0.000 2.223 167 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 167 N C 1.462 176.973 175.510 0.001 0.000 1.016 167 N CA 1.321 54.358 53.050 -0.022 0.000 0.863 167 N CB -0.597 37.877 38.487 -0.023 0.000 0.983 167 N HN 0.440 nan 8.380 nan 0.000 0.429 168 N N 0.067 118.767 118.700 -0.001 0.000 2.207 168 N HA 0.031 4.771 4.740 -0.000 0.000 0.182 168 N C 1.574 177.126 175.510 0.070 0.000 1.020 168 N CA 0.730 53.786 53.050 0.010 0.000 0.858 168 N CB -0.139 38.325 38.487 -0.039 0.000 0.991 168 N HN 0.014 nan 8.380 nan 0.000 0.427 169 S N 0.364 116.110 115.700 0.077 0.000 2.440 169 S HA -0.066 4.404 4.470 -0.000 0.000 0.238 169 S C 1.545 176.248 174.600 0.171 0.000 1.010 169 S CA 1.073 59.379 58.200 0.176 0.000 0.972 169 S CB -0.043 63.200 63.200 0.071 0.000 0.774 169 S HN 0.322 nan 8.310 nan 0.000 0.501 170 K N 1.008 121.459 120.400 0.086 0.000 2.099 170 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 170 K C 2.251 178.871 176.600 0.034 0.000 1.047 170 K CA 0.652 56.977 56.287 0.063 0.000 0.963 170 K CB -0.099 32.433 32.500 0.054 0.000 0.759 170 K HN 0.185 nan 8.250 nan 0.000 0.451 171 K N 1.646 122.062 120.400 0.027 0.000 2.009 171 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 171 K C 1.625 178.213 176.600 -0.020 0.000 1.049 171 K CA 1.786 58.075 56.287 0.003 0.000 0.929 171 K CB 0.015 32.516 32.500 0.003 0.000 0.714 171 K HN -0.124 nan 8.250 nan 0.000 0.440 172 E N -0.443 119.756 120.200 -0.002 0.000 2.515 172 E HA -0.002 4.348 4.350 -0.000 0.000 0.201 172 E C 0.521 176.965 176.600 -0.259 0.000 1.071 172 E CA 0.901 57.254 56.400 -0.077 0.000 0.880 172 E CB -0.090 29.638 29.700 0.048 0.000 0.828 172 E HN 0.642 nan 8.360 nan 0.000 0.540 173 G N -0.666 108.034 108.800 -0.166 0.000 2.160 173 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 173 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 173 G C 0.541 175.269 174.900 -0.286 0.000 1.022 173 G CA 0.327 45.301 45.100 -0.210 0.000 0.741 173 G HN 0.327 nan 8.290 nan 0.000 0.508 174 F N 0.323 120.256 119.950 -0.029 0.000 2.416 174 F HA 0.349 4.876 4.527 -0.000 0.000 0.296 174 F C 1.738 177.504 175.800 -0.056 0.000 1.099 174 F CA 1.293 59.273 58.000 -0.033 0.000 1.427 174 F CB 0.222 39.209 39.000 -0.021 0.000 1.079 174 F HN 0.469 nan 8.300 nan 0.000 0.536 175 I N -4.177 116.446 120.570 0.088 0.000 2.775 175 I HA 0.454 4.624 4.170 -0.000 0.000 0.295 175 I C -2.912 173.211 176.117 0.009 0.000 1.287 175 I CA -2.550 58.742 61.300 -0.013 0.000 1.029 175 I CB 1.641 39.629 38.000 -0.020 0.000 1.282 175 I HN -0.371 nan 8.210 nan 0.000 0.426 176 P HA -0.091 nan 4.420 nan 0.000 0.271 176 P C 0.010 177.371 177.300 0.101 0.000 1.197 176 P CA 0.258 63.383 63.100 0.042 0.000 0.777 176 P CB 0.547 32.283 31.700 0.059 0.000 0.827 177 D N 0.640 121.089 120.400 0.081 0.000 2.347 177 D HA -0.083 4.557 4.640 -0.000 0.000 0.213 177 D C 0.463 176.827 176.300 0.107 0.000 0.985 177 D CA 0.839 54.888 54.000 0.082 0.000 0.879 177 D CB 0.369 41.195 40.800 0.044 0.000 0.919 177 D HN 0.375 nan 8.370 nan 0.000 0.526 178 E N -0.651 119.628 120.200 0.132 0.000 2.538 178 E HA 0.099 4.449 4.350 -0.000 0.000 0.207 178 E C 0.021 176.738 176.600 0.194 0.000 1.002 178 E CA -0.502 55.978 56.400 0.133 0.000 0.952 178 E CB -0.680 29.078 29.700 0.098 0.000 1.031 178 E HN 0.063 nan 8.360 nan 0.000 0.476 179 F N 4.916 124.906 119.950 0.066 0.000 2.506 179 F HA 0.234 4.761 4.527 -0.000 0.000 0.371 179 F C -1.992 173.848 175.800 0.066 0.000 1.078 179 F CA -3.260 54.774 58.000 0.056 0.000 1.195 179 F CB 0.605 39.620 39.000 0.024 0.000 1.099 179 F HN -0.129 nan 8.300 nan 0.000 0.548 180 P HA 0.020 nan 4.420 nan 0.000 0.266 180 P C -0.939 175.924 177.300 -0.727 0.000 1.215 180 P CA 0.206 63.054 63.100 -0.420 0.000 0.763 180 P CB 1.083 32.654 31.700 -0.215 0.000 0.806 181 V N 5.994 125.418 119.914 -0.818 0.000 2.666 181 V HA 0.185 4.305 4.120 -0.000 0.000 0.261 181 V C -1.896 173.719 176.094 -0.797 0.000 0.892 181 V CA -1.464 60.474 62.300 -0.603 0.000 0.937 181 V CB 1.302 32.967 31.823 -0.263 0.000 1.063 181 V HN 0.533 nan 8.190 nan 0.000 0.494 182 P HA 0.480 nan 4.420 nan 0.000 0.274 182 P C -0.895 176.307 177.300 -0.164 0.000 1.256 182 P CA 0.059 62.747 63.100 -0.687 0.000 0.795 182 P CB 1.282 32.558 31.700 -0.708 0.000 1.038 183 F N -2.948 116.817 119.950 -0.308 0.000 2.713 183 F HA 0.816 5.343 4.527 -0.000 0.000 0.311 183 F C -2.099 173.618 175.800 -0.138 0.000 1.141 183 F CA -1.700 56.174 58.000 -0.210 0.000 0.939 183 F CB 0.852 39.744 39.000 -0.180 0.000 1.325 183 F HN 0.589 nan 8.300 nan 0.000 0.453 184 A N 0.782 123.518 122.820 -0.140 0.000 2.555 184 A HA 0.530 4.850 4.320 -0.000 0.000 0.297 184 A C -1.989 175.596 177.584 0.002 0.000 1.060 184 A CA -0.686 51.248 52.037 -0.172 0.000 0.710 184 A CB 0.833 19.718 19.000 -0.191 0.000 1.282 184 A HN 0.989 nan 8.150 nan 0.000 0.399 185 H N 1.515 120.563 119.070 -0.036 0.000 2.646 185 H HA 0.443 4.999 4.556 -0.000 0.000 0.325 185 H C -0.061 175.245 175.328 -0.036 0.000 1.075 185 H CA 1.089 57.139 56.048 0.004 0.000 1.421 185 H CB 1.198 30.972 29.762 0.019 0.000 1.461 185 H HN 0.679 nan 8.280 nan 0.000 0.525 186 T N 1.197 115.764 114.554 0.023 0.000 3.305 186 T HA 0.192 4.542 4.350 -0.000 0.000 0.348 186 T C -2.905 171.717 174.700 -0.130 0.000 1.394 186 T CA -1.939 60.138 62.100 -0.039 0.000 1.549 186 T CB 1.000 69.849 68.868 -0.033 0.000 0.962 186 T HN 0.339 nan 8.240 nan 0.000 0.609 187 P HA 0.198 nan 4.420 nan 0.000 0.271 187 P C 0.954 177.847 177.300 -0.677 0.000 1.233 187 P CA 0.002 62.720 63.100 -0.638 0.000 0.764 187 P CB 1.347 32.558 31.700 -0.815 0.000 0.825 188 S N 3.268 118.619 115.700 -0.583 0.000 2.374 188 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 188 S C 1.260 175.699 174.600 -0.268 0.000 1.037 188 S CA 1.584 59.607 58.200 -0.294 0.000 1.024 188 S CB -0.999 62.129 63.200 -0.120 0.000 0.861 188 S HN 0.677 nan 8.310 nan 0.000 0.456 189 F N 1.159 121.111 119.950 0.004 0.000 2.733 189 F HA 0.443 4.970 4.527 -0.000 0.000 0.301 189 F C -0.147 175.651 175.800 -0.004 0.000 1.240 189 F CA -0.676 57.321 58.000 -0.005 0.000 1.432 189 F CB -0.923 38.075 39.000 -0.003 0.000 1.089 189 F HN -0.191 nan 8.300 nan 0.000 0.533 190 V N 0.490 120.370 119.914 -0.056 0.000 2.569 190 V HA 0.745 4.865 4.120 -0.000 0.000 0.301 190 V C 0.588 176.659 176.094 -0.038 0.000 1.044 190 V CA -0.786 61.519 62.300 0.009 0.000 0.874 190 V CB 0.687 32.508 31.823 -0.003 0.000 1.002 190 V HN 0.692 nan 8.190 nan 0.000 0.424 191 G N 4.625 113.411 108.800 -0.023 0.000 2.726 191 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.261 191 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.261 191 G C 0.223 175.065 174.900 -0.096 0.000 1.352 191 G CA 0.162 45.226 45.100 -0.060 0.000 0.906 191 G HN 1.538 nan 8.290 nan 0.000 0.566 192 S N -1.370 114.240 115.700 -0.151 0.000 2.647 192 S HA 0.566 5.036 4.470 -0.000 0.000 0.284 192 S C 1.695 176.171 174.600 -0.208 0.000 1.134 192 S CA 0.606 58.711 58.200 -0.158 0.000 1.027 192 S CB 0.776 63.834 63.200 -0.237 0.000 1.180 192 S HN 1.476 nan 8.310 nan 0.000 0.521 193 H N 0.543 119.483 119.070 -0.217 0.000 2.387 193 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 193 H C 2.209 177.347 175.328 -0.316 0.000 1.090 193 H CA 1.795 57.688 56.048 -0.259 0.000 1.332 193 H CB -1.661 27.887 29.762 -0.356 0.000 1.386 193 H HN 0.511 nan 8.280 nan 0.000 0.516 194 V N -0.165 119.070 119.914 -1.131 0.000 2.469 194 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 194 V C 2.257 178.236 176.094 -0.193 0.000 1.064 194 V CA 2.243 64.079 62.300 -0.773 0.000 1.066 194 V CB -1.445 29.748 31.823 -1.050 0.000 0.667 194 V HN 0.344 nan 8.190 nan 0.000 0.461 195 T N 0.960 115.409 114.554 -0.175 0.000 2.833 195 T HA 0.015 4.365 4.350 -0.000 0.000 0.269 195 T C 1.891 176.626 174.700 0.059 0.000 1.054 195 T CA 1.640 63.732 62.100 -0.014 0.000 1.135 195 T CB -0.764 68.076 68.868 -0.048 0.000 0.869 195 T HN 0.753 nan 8.240 nan 0.000 0.466 196 G N -0.089 108.734 108.800 0.039 0.000 2.480 196 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 196 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 196 G C 1.293 176.306 174.900 0.187 0.000 1.200 196 G CA 0.716 45.862 45.100 0.078 0.000 0.782 196 G HN 0.541 nan 8.290 nan 0.000 0.554 197 W N 1.285 122.638 121.300 0.089 0.000 2.301 197 W HA -0.193 4.467 4.660 -0.000 0.000 0.325 197 W C 2.421 179.050 176.519 0.185 0.000 1.250 197 W CA 1.955 59.418 57.345 0.196 0.000 1.261 197 W CB -0.133 29.500 29.460 0.288 0.000 1.157 197 W HN 0.240 nan 8.180 nan 0.000 0.473 198 D N -0.192 120.563 120.400 0.591 0.000 2.205 198 D HA -0.284 4.356 4.640 -0.000 0.000 0.190 198 D C 1.623 178.068 176.300 0.241 0.000 1.002 198 D CA 2.320 56.567 54.000 0.412 0.000 0.848 198 D CB -0.763 40.186 40.800 0.247 0.000 0.975 198 D HN 0.130 nan 8.370 nan 0.000 0.449 199 N N -0.234 118.544 118.700 0.130 0.000 2.002 199 N HA -0.223 4.517 4.740 -0.000 0.000 0.199 199 N C 1.695 177.182 175.510 -0.038 0.000 1.060 199 N CA 1.739 54.801 53.050 0.021 0.000 0.867 199 N CB -0.707 37.782 38.487 0.003 0.000 1.069 199 N HN 0.190 nan 8.380 nan 0.000 0.430 200 M N 0.019 119.590 119.600 -0.048 0.000 2.405 200 M HA -0.251 4.229 4.480 -0.000 0.000 0.256 200 M C 1.845 178.029 176.300 -0.194 0.000 1.067 200 M CA 1.591 56.808 55.300 -0.138 0.000 1.073 200 M CB -1.017 31.501 32.600 -0.137 0.000 1.273 200 M HN 0.306 nan 8.290 nan 0.000 0.443 201 F N 0.682 120.445 119.950 -0.312 0.000 2.027 201 F HA -0.316 4.211 4.527 -0.000 0.000 0.297 201 F C 2.409 178.074 175.800 -0.224 0.000 1.129 201 F CA 2.711 60.540 58.000 -0.286 0.000 1.195 201 F CB -0.865 37.986 39.000 -0.249 0.000 0.960 201 F HN 0.358 nan 8.300 nan 0.000 0.485 202 E N 0.482 120.654 120.200 -0.046 0.000 2.065 202 E HA -0.253 4.097 4.350 -0.000 0.000 0.201 202 E C 2.432 178.716 176.600 -0.526 0.000 1.016 202 E CA 1.596 57.815 56.400 -0.300 0.000 0.818 202 E CB -1.107 28.483 29.700 -0.183 0.000 0.749 202 E HN 0.550 nan 8.360 nan 0.000 0.453 203 G N 0.936 109.483 108.800 -0.423 0.000 2.475 203 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 203 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 203 G C 1.751 176.365 174.900 -0.475 0.000 1.125 203 G CA 1.000 45.803 45.100 -0.494 0.000 0.755 203 G HN 0.311 nan 8.290 nan 0.000 0.565 204 I N 0.797 121.073 120.570 -0.490 0.000 2.480 204 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 204 I C 3.229 179.170 176.117 -0.293 0.000 1.124 204 I CA 0.630 61.663 61.300 -0.445 0.000 1.444 204 I CB -0.210 37.428 38.000 -0.603 0.000 1.098 204 I HN 0.212 nan 8.210 nan 0.000 0.428 205 A N 1.372 123.910 122.820 -0.471 0.000 1.883 205 A HA -0.235 4.084 4.320 -0.000 0.000 0.217 205 A C 2.398 179.893 177.584 -0.148 0.000 1.186 205 A CA 1.668 53.546 52.037 -0.266 0.000 0.624 205 A CB -0.603 18.064 19.000 -0.554 0.000 0.822 205 A HN 0.294 nan 8.150 nan 0.000 0.444 206 R N -2.245 117.945 120.500 -0.516 0.000 2.096 206 R HA -0.184 4.156 4.340 -0.000 0.000 0.229 206 R C 2.118 178.378 176.300 -0.068 0.000 1.134 206 R CA 1.789 57.716 56.100 -0.288 0.000 0.917 206 R CB -0.810 29.260 30.300 -0.383 0.000 0.832 206 R HN 0.602 nan 8.270 nan 0.000 0.430 207 Y N -0.009 120.110 120.300 -0.302 0.000 2.321 207 Y HA -0.274 4.276 4.550 -0.000 0.000 0.281 207 Y C 1.098 176.716 175.900 -0.471 0.000 1.200 207 Y CA 1.571 59.423 58.100 -0.413 0.000 1.269 207 Y CB 0.051 38.123 38.460 -0.646 0.000 0.972 207 Y HN 0.045 nan 8.280 nan 0.000 0.550 208 F N -2.394 117.590 119.950 0.056 0.000 2.706 208 F HA 0.158 4.685 4.527 -0.000 0.000 0.313 208 F C 1.693 177.542 175.800 0.082 0.000 1.096 208 F CA 0.718 58.741 58.000 0.039 0.000 1.219 208 F CB 0.200 39.241 39.000 0.069 0.000 1.051 208 F HN 0.031 nan 8.300 nan 0.000 0.568 209 T N -4.263 110.489 114.554 0.329 0.000 3.028 209 T HA 0.110 4.460 4.350 -0.000 0.000 0.262 209 T C 1.552 176.437 174.700 0.309 0.000 0.916 209 T CA 0.163 62.480 62.100 0.361 0.000 0.873 209 T CB -0.402 68.888 68.868 0.702 0.000 1.232 209 T HN 0.031 nan 8.240 nan 0.000 0.529 210 L N 1.872 123.260 121.223 0.274 0.000 1.976 210 L HA 0.233 4.573 4.340 -0.000 0.000 0.209 210 L C 1.393 178.324 176.870 0.102 0.000 1.071 210 L CA 1.723 56.688 54.840 0.209 0.000 0.746 210 L CB -0.453 41.702 42.059 0.160 0.000 0.890 210 L HN -0.013 nan 8.230 nan 0.000 0.432 211 K N 0.464 120.887 120.400 0.038 0.000 2.790 211 K HA 0.181 4.501 4.320 -0.000 0.000 0.229 211 K C 0.316 176.924 176.600 0.014 0.000 1.040 211 K CA 0.747 57.039 56.287 0.008 0.000 1.211 211 K CB -0.718 31.758 32.500 -0.041 0.000 1.002 211 K HN 0.552 nan 8.250 nan 0.000 0.479 212 S N -1.690 114.034 115.700 0.040 0.000 2.565 212 S HA 0.168 4.638 4.470 -0.000 0.000 0.207 212 S C 0.500 175.122 174.600 0.036 0.000 0.769 212 S CA -0.591 57.627 58.200 0.030 0.000 0.945 212 S CB -0.246 62.968 63.200 0.023 0.000 1.653 212 S HN -0.022 nan 8.310 nan 0.000 0.509 213 M N 1.743 121.371 119.600 0.045 0.000 2.563 213 M HA 0.171 4.651 4.480 -0.000 0.000 0.231 213 M C 0.654 176.966 176.300 0.020 0.000 1.136 213 M CA 0.385 55.709 55.300 0.041 0.000 1.026 213 M CB -0.983 31.653 32.600 0.061 0.000 1.597 213 M HN 0.438 nan 8.290 nan 0.000 0.495 214 D N 1.447 121.855 120.400 0.014 0.000 2.091 214 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 214 D C 1.047 177.347 176.300 -0.000 0.000 0.980 214 D CA 1.499 55.503 54.000 0.007 0.000 0.831 214 D CB -0.162 40.641 40.800 0.005 0.000 0.987 214 D HN 0.465 nan 8.370 nan 0.000 0.460 215 D N 0.522 120.919 120.400 -0.005 0.000 2.349 215 D HA -0.057 4.583 4.640 -0.000 0.000 0.224 215 D C 0.197 176.485 176.300 -0.020 0.000 1.029 215 D CA 0.264 54.257 54.000 -0.012 0.000 0.879 215 D CB -0.066 40.726 40.800 -0.013 0.000 0.906 215 D HN -0.061 nan 8.370 nan 0.000 0.528 216 K N 0.717 121.105 120.400 -0.020 0.000 2.205 216 K HA 0.439 4.759 4.320 -0.000 0.000 0.279 216 K C -0.414 176.174 176.600 -0.020 0.000 1.027 216 K CA -0.811 55.456 56.287 -0.034 0.000 0.932 216 K CB 2.492 34.963 32.500 -0.049 0.000 1.032 216 K HN -0.094 nan 8.250 nan 0.000 0.466 217 V N 2.286 122.184 119.914 -0.027 0.000 2.462 217 V HA 0.084 4.204 4.120 -0.000 0.000 0.288 217 V C 0.077 176.152 176.094 -0.032 0.000 1.020 217 V CA -1.280 61.007 62.300 -0.021 0.000 0.857 217 V CB 1.587 33.396 31.823 -0.023 0.000 1.013 217 V HN 0.459 nan 8.190 nan 0.000 0.431 218 V N 4.811 124.710 119.914 -0.024 0.000 2.717 218 V HA 0.205 4.325 4.120 -0.000 0.000 0.302 218 V C 1.671 177.708 176.094 -0.095 0.000 1.097 218 V CA 2.237 64.492 62.300 -0.075 0.000 1.262 218 V CB -0.060 31.713 31.823 -0.083 0.000 0.846 218 V HN 1.481 nan 8.190 nan 0.000 0.485 219 G N 3.864 112.592 108.800 -0.119 0.000 2.195 219 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.246 219 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.246 219 G C 1.038 175.899 174.900 -0.064 0.000 0.984 219 G CA 0.869 45.914 45.100 -0.092 0.000 0.633 219 G HN 1.301 nan 8.290 nan 0.000 0.525 220 S N 0.834 116.499 115.700 -0.059 0.000 2.465 220 S HA -0.119 4.351 4.470 -0.000 0.000 0.241 220 S C 1.695 176.266 174.600 -0.047 0.000 1.000 220 S CA 1.839 60.010 58.200 -0.048 0.000 0.964 220 S CB -0.363 62.809 63.200 -0.046 0.000 0.763 220 S HN 1.207 nan 8.310 nan 0.000 0.512 221 N N -0.179 118.491 118.700 -0.051 0.000 2.220 221 N HA 0.194 4.934 4.740 -0.000 0.000 0.195 221 N C -0.009 175.476 175.510 -0.042 0.000 1.123 221 N CA -0.057 52.965 53.050 -0.048 0.000 0.874 221 N CB -0.184 38.272 38.487 -0.052 0.000 0.995 221 N HN 0.138 nan 8.380 nan 0.000 0.498 222 K N -0.970 119.406 120.400 -0.041 0.000 3.160 222 K HA -0.196 4.124 4.320 -0.000 0.000 0.280 222 K C -0.951 175.635 176.600 -0.023 0.000 1.154 222 K CA 0.864 57.132 56.287 -0.033 0.000 0.822 222 K CB -1.851 30.631 32.500 -0.030 0.000 1.239 222 K HN 0.473 nan 8.250 nan 0.000 0.489 223 K N -0.166 120.223 120.400 -0.018 0.000 2.306 223 K HA 0.653 4.973 4.320 -0.000 0.000 0.236 223 K C -0.193 176.429 176.600 0.036 0.000 1.013 223 K CA -1.004 55.288 56.287 0.009 0.000 0.857 223 K CB 1.750 34.249 32.500 -0.002 0.000 1.214 223 K HN -0.037 nan 8.250 nan 0.000 0.449 224 I N 1.859 122.482 120.570 0.088 0.000 2.465 224 I HA 0.247 4.417 4.170 -0.000 0.000 0.291 224 I C -0.600 175.625 176.117 0.180 0.000 1.014 224 I CA -1.078 60.289 61.300 0.111 0.000 1.093 224 I CB 1.755 39.808 38.000 0.089 0.000 1.267 224 I HN 0.439 nan 8.210 nan 0.000 0.431 225 N N 6.403 125.232 118.700 0.216 0.000 2.518 225 N HA 0.456 5.196 4.740 -0.000 0.000 0.283 225 N C -0.764 174.898 175.510 0.253 0.000 1.119 225 N CA -0.257 52.953 53.050 0.268 0.000 0.983 225 N CB 1.872 40.577 38.487 0.362 0.000 1.139 225 N HN 0.338 nan 8.380 nan 0.000 0.465 226 I N 2.107 122.827 120.570 0.250 0.000 2.447 226 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 226 I C -0.420 175.806 176.117 0.181 0.000 1.023 226 I CA -0.724 60.694 61.300 0.196 0.000 1.083 226 I CB 1.426 39.524 38.000 0.164 0.000 1.245 226 I HN 0.033 nan 8.210 nan 0.000 0.434 227 V N 9.005 128.981 119.914 0.104 0.000 2.311 227 V HA 0.273 4.393 4.120 -0.000 0.000 0.275 227 V C -1.241 174.818 176.094 -0.057 0.000 1.022 227 V CA -1.019 61.288 62.300 0.012 0.000 0.830 227 V CB 1.522 33.225 31.823 -0.199 0.000 1.012 227 V HN 0.567 nan 8.190 nan 0.000 0.452 228 P HA 0.049 nan 4.420 nan 0.000 0.229 228 P C 0.905 177.957 177.300 -0.415 0.000 1.160 228 P CA 1.485 64.538 63.100 -0.078 0.000 0.777 228 P CB 0.527 32.374 31.700 0.245 0.000 0.814 229 G N 0.911 109.136 108.800 -0.959 0.000 2.598 229 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 229 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 229 G C -0.773 173.017 174.900 -1.851 0.000 1.302 229 G CA -0.189 43.836 45.100 -1.792 0.000 0.903 229 G HN 0.344 nan 8.290 nan 0.000 0.575 230 F N 2.239 121.486 119.950 -1.173 0.000 2.509 230 F HA 0.601 5.128 4.527 -0.000 0.000 0.350 230 F C 0.372 175.959 175.800 -0.354 0.000 1.220 230 F CA -0.050 57.528 58.000 -0.703 0.000 1.151 230 F CB 0.548 39.327 39.000 -0.369 0.000 1.379 230 F HN 0.586 nan 8.300 nan 0.000 0.610 231 E N 3.097 122.942 120.200 -0.592 0.000 2.158 231 E HA 0.259 4.609 4.350 -0.000 0.000 0.271 231 E C 0.265 176.552 176.600 -0.521 0.000 0.911 231 E CA -0.421 55.626 56.400 -0.589 0.000 0.767 231 E CB 1.447 30.706 29.700 -0.735 0.000 1.120 231 E HN 0.513 nan 8.360 nan 0.000 0.405 232 T N 1.048 115.313 114.554 -0.482 0.000 3.054 232 T HA 0.234 4.584 4.350 -0.000 0.000 0.255 232 T C 0.132 175.084 174.700 0.420 0.000 1.035 232 T CA -0.076 61.995 62.100 -0.049 0.000 0.941 232 T CB -0.250 68.422 68.868 -0.326 0.000 1.026 232 T HN 0.427 nan 8.240 nan 0.000 0.533 233 Y N 1.870 122.131 120.300 -0.066 0.000 2.417 233 Y HA 0.399 4.949 4.550 -0.000 0.000 0.336 233 Y C 1.274 177.131 175.900 -0.073 0.000 0.961 233 Y CA -1.395 56.696 58.100 -0.015 0.000 1.215 233 Y CB 1.024 39.421 38.460 -0.104 0.000 1.120 233 Y HN -0.021 nan 8.280 nan 0.000 0.499 234 L N 2.725 124.083 121.223 0.225 0.000 1.978 234 L HA -0.273 4.067 4.340 -0.000 0.000 0.218 234 L C 2.517 179.443 176.870 0.093 0.000 1.075 234 L CA 1.816 56.784 54.840 0.214 0.000 0.767 234 L CB -0.836 41.290 42.059 0.110 0.000 0.890 234 L HN 0.869 nan 8.230 nan 0.000 0.434 235 G N -0.225 108.574 108.800 -0.002 0.000 2.626 235 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.224 235 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.224 235 G C 1.375 176.255 174.900 -0.033 0.000 1.095 235 G CA 1.328 46.411 45.100 -0.029 0.000 0.738 235 G HN 0.369 nan 8.290 nan 0.000 0.600 236 N N 0.438 119.090 118.700 -0.080 0.000 2.081 236 N HA -0.054 4.686 4.740 -0.000 0.000 0.191 236 N C 1.904 177.335 175.510 -0.131 0.000 1.053 236 N CA 0.949 53.899 53.050 -0.167 0.000 0.846 236 N CB -0.768 37.533 38.487 -0.310 0.000 1.032 236 N HN 0.246 nan 8.380 nan 0.000 0.431 237 F N 2.013 121.933 119.950 -0.051 0.000 2.063 237 F HA -0.268 4.259 4.527 -0.000 0.000 0.296 237 F C 2.483 178.239 175.800 -0.073 0.000 1.093 237 F CA 1.479 59.441 58.000 -0.063 0.000 1.229 237 F CB -0.790 38.184 39.000 -0.045 0.000 0.971 237 F HN 0.060 nan 8.300 nan 0.000 0.491 238 R N -0.207 120.384 120.500 0.151 0.000 2.088 238 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 238 R C 2.249 178.545 176.300 -0.006 0.000 1.136 238 R CA 1.648 57.782 56.100 0.057 0.000 0.926 238 R CB -1.378 28.946 30.300 0.040 0.000 0.837 238 R HN 0.257 nan 8.270 nan 0.000 0.429 239 V N 1.871 121.766 119.914 -0.033 0.000 2.370 239 V HA -0.277 3.843 4.120 -0.000 0.000 0.252 239 V C 2.106 178.143 176.094 -0.096 0.000 1.068 239 V CA 1.736 63.998 62.300 -0.063 0.000 1.061 239 V CB -0.390 31.383 31.823 -0.083 0.000 0.656 239 V HN 0.266 nan 8.190 nan 0.000 0.455 240 I N 0.008 120.508 120.570 -0.118 0.000 2.113 240 I HA -0.224 3.946 4.170 -0.000 0.000 0.238 240 I C 2.506 178.498 176.117 -0.208 0.000 1.070 240 I CA 2.028 63.232 61.300 -0.160 0.000 1.332 240 I CB -1.480 36.428 38.000 -0.153 0.000 1.044 240 I HN 0.384 nan 8.210 nan 0.000 0.402 241 K N -0.042 120.218 120.400 -0.233 0.000 2.044 241 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 241 K C 2.299 178.818 176.600 -0.135 0.000 1.049 241 K CA 1.318 57.399 56.287 -0.343 0.000 0.927 241 K CB -0.265 32.196 32.500 -0.065 0.000 0.713 241 K HN 0.177 nan 8.250 nan 0.000 0.443 242 R N 1.289 121.760 120.500 -0.049 0.000 2.082 242 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 242 R C 2.245 178.541 176.300 -0.005 0.000 1.136 242 R CA 1.879 57.977 56.100 -0.004 0.000 0.935 242 R CB -0.418 29.879 30.300 -0.004 0.000 0.842 242 R HN 0.259 nan 8.270 nan 0.000 0.430 243 M N 0.602 120.183 119.600 -0.032 0.000 2.073 243 M HA -0.242 4.238 4.480 -0.000 0.000 0.258 243 M C 2.491 178.799 176.300 0.012 0.000 1.070 243 M CA 1.799 57.091 55.300 -0.013 0.000 1.103 243 M CB -0.471 32.109 32.600 -0.033 0.000 1.321 243 M HN 0.167 nan 8.290 nan 0.000 0.405 244 L N -0.747 120.467 121.223 -0.015 0.000 1.989 244 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 244 L C 2.592 179.534 176.870 0.119 0.000 1.071 244 L CA 1.296 56.153 54.840 0.028 0.000 0.749 244 L CB -0.817 41.191 42.059 -0.085 0.000 0.890 244 L HN 0.282 nan 8.230 nan 0.000 0.431 245 S N -0.804 114.995 115.700 0.164 0.000 2.419 245 S HA -0.237 4.233 4.470 -0.000 0.000 0.235 245 S C 1.844 176.505 174.600 0.102 0.000 1.019 245 S CA 1.340 59.656 58.200 0.194 0.000 0.982 245 S CB -0.216 63.107 63.200 0.205 0.000 0.789 245 S HN 0.424 nan 8.310 nan 0.000 0.490 246 E N 0.267 120.510 120.200 0.072 0.000 2.285 246 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 246 E C 1.744 178.372 176.600 0.047 0.000 0.997 246 E CA 0.398 56.829 56.400 0.051 0.000 0.845 246 E CB -0.022 29.703 29.700 0.041 0.000 0.782 246 E HN 0.465 nan 8.360 nan 0.000 0.491 247 M N -1.081 118.550 119.600 0.053 0.000 2.495 247 M HA 0.164 4.644 4.480 -0.000 0.000 0.237 247 M C 0.977 177.303 176.300 0.043 0.000 1.131 247 M CA 1.013 56.338 55.300 0.042 0.000 1.032 247 M CB 0.770 33.391 32.600 0.035 0.000 1.513 247 M HN 0.223 nan 8.290 nan 0.000 0.488 248 G N 0.903 109.736 108.800 0.055 0.000 2.155 248 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 248 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 248 G C -0.081 174.849 174.900 0.050 0.000 0.983 248 G CA 0.282 45.410 45.100 0.046 0.000 0.676 248 G HN 0.378 nan 8.290 nan 0.000 0.528 249 V N 0.646 120.609 119.914 0.081 0.000 2.583 249 V HA 0.618 4.738 4.120 -0.000 0.000 0.287 249 V C 1.288 177.460 176.094 0.130 0.000 1.051 249 V CA 0.189 62.543 62.300 0.091 0.000 1.010 249 V CB 1.573 33.455 31.823 0.098 0.000 0.988 249 V HN 0.711 nan 8.190 nan 0.000 0.478 250 G N 4.235 113.075 108.800 0.067 0.000 2.333 250 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 250 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 250 G C -0.926 174.016 174.900 0.069 0.000 1.150 250 G CA -0.197 44.905 45.100 0.004 0.000 0.895 250 G HN 0.812 nan 8.290 nan 0.000 0.444 251 Y N -0.410 119.902 120.300 0.020 0.000 2.605 251 Y HA 0.819 5.369 4.550 -0.000 0.000 0.343 251 Y C -0.249 175.675 175.900 0.040 0.000 1.036 251 Y CA -1.720 56.403 58.100 0.039 0.000 1.065 251 Y CB 1.963 40.457 38.460 0.056 0.000 1.288 251 Y HN 0.305 nan 8.280 nan 0.000 0.481 252 S N 2.431 118.289 115.700 0.264 0.000 2.496 252 S HA 0.290 4.760 4.470 -0.000 0.000 0.221 252 S C -1.685 173.082 174.600 0.278 0.000 1.260 252 S CA -0.517 57.789 58.200 0.177 0.000 1.181 252 S CB 0.216 63.476 63.200 0.100 0.000 1.136 252 S HN 0.657 nan 8.310 nan 0.000 0.467 253 L N 5.606 127.027 121.223 0.329 0.000 2.456 253 L HA 0.373 4.713 4.340 -0.000 0.000 0.277 253 L C -0.639 176.341 176.870 0.183 0.000 1.124 253 L CA 0.350 55.338 54.840 0.247 0.000 0.880 253 L CB -0.146 42.038 42.059 0.208 0.000 1.192 253 L HN 0.554 nan 8.230 nan 0.000 0.463 254 L N 5.551 126.933 121.223 0.266 0.000 2.283 254 L HA 0.270 4.610 4.340 -0.000 0.000 0.287 254 L C 0.692 177.744 176.870 0.304 0.000 1.073 254 L CA -0.352 54.705 54.840 0.361 0.000 0.822 254 L CB 0.456 42.932 42.059 0.694 0.000 1.186 254 L HN 0.881 nan 8.230 nan 0.000 0.436 255 S N 2.488 118.110 115.700 -0.131 0.000 3.828 255 S HA -0.162 4.308 4.470 -0.000 0.000 0.722 255 S C -0.575 173.878 174.600 -0.245 0.000 0.508 255 S CA -0.106 57.843 58.200 -0.419 0.000 1.434 255 S CB -0.570 62.726 63.200 0.159 0.000 0.825 255 S HN 0.906 nan 8.310 nan 0.000 1.023 256 D N 4.679 124.822 120.400 -0.429 0.000 2.462 256 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 256 D C -1.037 174.940 176.300 -0.539 0.000 1.117 256 D CA -1.861 51.841 54.000 -0.498 0.000 0.900 256 D CB 1.048 41.662 40.800 -0.309 0.000 1.039 256 D HN 0.243 nan 8.370 nan 0.000 0.516 257 P HA 0.018 nan 4.420 nan 0.000 0.257 257 P C 0.630 177.661 177.300 -0.448 0.000 1.281 257 P CA 0.197 63.024 63.100 -0.455 0.000 0.826 257 P CB 0.197 31.693 31.700 -0.339 0.000 1.237 258 E N 0.219 120.057 120.200 -0.604 0.000 2.455 258 E HA -0.183 4.167 4.350 -0.000 0.000 0.202 258 E C 1.460 177.965 176.600 -0.159 0.000 1.045 258 E CA 1.224 57.449 56.400 -0.292 0.000 0.872 258 E CB -0.339 29.236 29.700 -0.207 0.000 0.792 258 E HN 0.123 nan 8.360 nan 0.000 0.542 259 E N -0.057 120.041 120.200 -0.170 0.000 2.290 259 E HA 0.032 4.382 4.350 -0.000 0.000 0.199 259 E C 1.889 178.438 176.600 -0.086 0.000 0.912 259 E CA 0.711 57.051 56.400 -0.100 0.000 0.924 259 E CB 0.081 29.731 29.700 -0.082 0.000 0.901 259 E HN 0.243 nan 8.360 nan 0.000 0.487 260 V N 1.231 121.080 119.914 -0.108 0.000 3.217 260 V HA 0.010 4.130 4.120 -0.000 0.000 0.264 260 V C 1.544 177.571 176.094 -0.112 0.000 1.135 260 V CA 0.714 62.963 62.300 -0.085 0.000 1.142 260 V CB -0.176 31.602 31.823 -0.075 0.000 0.754 260 V HN 0.149 nan 8.190 nan 0.000 0.484 261 L N -0.130 120.987 121.223 -0.176 0.000 2.653 261 L HA 0.341 4.681 4.340 -0.000 0.000 0.231 261 L C 0.444 177.269 176.870 -0.075 0.000 1.153 261 L CA 0.517 55.211 54.840 -0.244 0.000 0.933 261 L CB 0.074 41.817 42.059 -0.527 0.000 1.175 261 L HN 0.332 nan 8.230 nan 0.000 0.473 262 D N -0.526 119.855 120.400 -0.032 0.000 3.404 262 D HA -0.008 4.632 4.640 -0.000 0.000 0.329 262 D C 0.338 176.644 176.300 0.010 0.000 1.421 262 D CA -0.050 53.960 54.000 0.017 0.000 0.742 262 D CB 0.571 41.373 40.800 0.003 0.000 1.290 262 D HN -0.075 nan 8.370 nan 0.000 0.600 263 T N 0.447 115.012 114.554 0.019 0.000 2.930 263 T HA 0.365 4.715 4.350 -0.000 0.000 0.306 263 T C -2.015 172.707 174.700 0.037 0.000 1.045 263 T CA -0.946 61.169 62.100 0.025 0.000 1.134 263 T CB 0.968 69.861 68.868 0.043 0.000 0.961 263 T HN 0.033 nan 8.240 nan 0.000 0.545 264 P HA 0.392 nan 4.420 nan 0.000 0.276 264 P C -1.279 176.046 177.300 0.041 0.000 1.252 264 P CA -0.752 62.363 63.100 0.026 0.000 0.802 264 P CB 0.798 32.507 31.700 0.014 0.000 1.035 265 A N 1.388 124.230 122.820 0.035 0.000 2.736 265 A HA 0.334 4.654 4.320 -0.000 0.000 0.335 265 A C 0.154 177.759 177.584 0.035 0.000 1.446 265 A CA -0.379 51.684 52.037 0.042 0.000 1.028 265 A CB -1.041 17.981 19.000 0.037 0.000 1.154 265 A HN 0.566 nan 8.150 nan 0.000 0.507 266 D N 0.169 120.593 120.400 0.040 0.000 2.538 266 D HA 0.366 5.006 4.640 -0.000 0.000 0.231 266 D C 0.961 177.283 176.300 0.037 0.000 1.229 266 D CA 0.432 54.451 54.000 0.032 0.000 0.828 266 D CB 0.126 40.941 40.800 0.026 0.000 1.035 266 D HN 0.815 nan 8.370 nan 0.000 0.495 267 G N 0.461 109.289 108.800 0.047 0.000 2.176 267 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.232 267 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.232 267 G C -0.070 174.869 174.900 0.066 0.000 0.986 267 G CA 0.189 45.318 45.100 0.049 0.000 0.643 267 G HN 0.721 nan 8.290 nan 0.000 0.522 268 Q N -0.947 118.901 119.800 0.080 0.000 2.315 268 Q HA 0.720 5.060 4.340 -0.000 0.000 0.273 268 Q C -0.804 175.287 176.000 0.151 0.000 1.053 268 Q CA -1.331 54.533 55.803 0.100 0.000 0.817 268 Q CB 1.902 30.677 28.738 0.061 0.000 1.326 268 Q HN 0.604 nan 8.270 nan 0.000 0.423 269 F N 3.347 123.309 119.950 0.019 0.000 2.420 269 F HA 0.491 5.018 4.527 -0.000 0.000 0.352 269 F C -0.794 175.014 175.800 0.013 0.000 1.108 269 F CA -0.793 57.214 58.000 0.011 0.000 1.162 269 F CB 0.824 39.829 39.000 0.008 0.000 1.118 269 F HN 0.528 nan 8.300 nan 0.000 0.510 270 R N 7.956 128.125 120.500 -0.552 0.000 2.338 270 R HA 0.240 4.580 4.340 -0.000 0.000 0.317 270 R C 0.463 176.185 176.300 -0.964 0.000 0.968 270 R CA -0.605 55.144 56.100 -0.586 0.000 0.849 270 R CB 1.219 31.397 30.300 -0.203 0.000 1.128 270 R HN 0.988 nan 8.270 nan 0.000 0.448 271 M N 1.628 120.641 119.600 -0.977 0.000 2.509 271 M HA 0.138 4.618 4.480 -0.000 0.000 0.250 271 M C -0.886 174.926 176.300 -0.813 0.000 1.132 271 M CA 1.004 55.755 55.300 -0.915 0.000 1.080 271 M CB 0.500 32.554 32.600 -0.911 0.000 1.408 271 M HN 0.489 nan 8.290 nan 0.000 0.484 272 Y N -0.479 119.725 120.300 -0.160 0.000 2.534 272 Y HA 0.693 5.243 4.550 -0.000 0.000 0.345 272 Y C -0.700 175.151 175.900 -0.082 0.000 1.031 272 Y CA -1.276 56.776 58.100 -0.079 0.000 1.022 272 Y CB 1.758 40.194 38.460 -0.041 0.000 1.292 272 Y HN -0.024 nan 8.280 nan 0.000 0.459 273 A N 1.618 124.499 122.820 0.101 0.000 2.511 273 A HA 0.631 4.951 4.320 -0.000 0.000 0.292 273 A C 0.119 177.700 177.584 -0.005 0.000 1.045 273 A CA -0.170 51.882 52.037 0.026 0.000 0.870 273 A CB 0.340 19.334 19.000 -0.009 0.000 1.361 273 A HN 1.809 nan 8.150 nan 0.000 0.396 274 G N 1.502 110.294 108.800 -0.012 0.000 2.574 274 G HA2 0.469 4.429 3.960 -0.000 0.000 0.282 274 G HA3 0.469 4.429 3.960 -0.000 0.000 0.282 274 G C 1.465 176.335 174.900 -0.050 0.000 1.257 274 G CA 1.254 46.332 45.100 -0.037 0.000 0.956 274 G HN 3.222 nan 8.290 nan 0.000 0.560 275 G N -3.736 105.009 108.800 -0.091 0.000 2.629 275 G HA2 0.379 4.339 3.960 -0.000 0.000 0.686 275 G HA3 0.379 4.339 3.960 -0.000 0.000 0.686 275 G C -0.098 174.727 174.900 -0.125 0.000 1.232 275 G CA 0.369 45.386 45.100 -0.139 0.000 0.803 275 G HN 1.942 nan 8.290 nan 0.000 0.638 276 T N 2.191 116.616 114.554 -0.214 0.000 2.792 276 T HA 0.435 4.785 4.350 -0.000 0.000 0.286 276 T C 1.538 176.238 174.700 -0.001 0.000 0.970 276 T CA 1.094 63.117 62.100 -0.127 0.000 1.187 276 T CB -0.151 68.578 68.868 -0.232 0.000 0.915 276 T HN 1.383 nan 8.240 nan 0.000 0.529 277 T N 2.534 117.074 114.554 -0.023 0.000 2.748 277 T HA 0.119 4.469 4.350 -0.000 0.000 0.304 277 T C 1.412 176.065 174.700 -0.078 0.000 1.041 277 T CA -0.567 61.509 62.100 -0.040 0.000 1.033 277 T CB 0.766 69.595 68.868 -0.064 0.000 0.995 277 T HN 0.614 nan 8.240 nan 0.000 0.536 278 Q N 0.439 120.136 119.800 -0.172 0.000 2.083 278 Q HA -0.107 4.233 4.340 -0.000 0.000 0.198 278 Q C 2.281 178.020 176.000 -0.435 0.000 0.969 278 Q CA 1.541 57.074 55.803 -0.450 0.000 0.838 278 Q CB -0.230 28.239 28.738 -0.448 0.000 0.900 278 Q HN 0.811 nan 8.270 nan 0.000 0.436 279 E N 1.564 121.620 120.200 -0.240 0.000 2.130 279 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 279 E C 1.668 178.177 176.600 -0.151 0.000 0.998 279 E CA 1.284 57.581 56.400 -0.172 0.000 0.806 279 E CB -0.147 29.489 29.700 -0.108 0.000 0.738 279 E HN 0.374 nan 8.360 nan 0.000 0.459 280 E N -0.231 119.896 120.200 -0.122 0.000 2.085 280 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 280 E C 1.935 178.495 176.600 -0.066 0.000 0.994 280 E CA 1.141 57.498 56.400 -0.072 0.000 0.801 280 E CB -0.045 29.637 29.700 -0.030 0.000 0.743 280 E HN 0.200 nan 8.360 nan 0.000 0.453 281 M N 0.676 120.217 119.600 -0.099 0.000 2.077 281 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 281 M C 2.033 178.286 176.300 -0.078 0.000 1.070 281 M CA 1.614 56.887 55.300 -0.045 0.000 1.125 281 M CB -0.685 31.830 32.600 -0.141 0.000 1.339 281 M HN -0.026 nan 8.290 nan 0.000 0.409 282 K N -0.140 120.155 120.400 -0.175 0.000 2.059 282 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 282 K C 1.830 178.362 176.600 -0.114 0.000 1.050 282 K CA 1.741 57.982 56.287 -0.077 0.000 0.927 282 K CB -0.347 32.098 32.500 -0.091 0.000 0.714 282 K HN 0.423 nan 8.250 nan 0.000 0.447 283 D N 0.101 120.420 120.400 -0.135 0.000 2.183 283 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 283 D C 1.815 177.975 176.300 -0.233 0.000 0.969 283 D CA 0.828 54.738 54.000 -0.149 0.000 0.842 283 D CB 0.138 40.873 40.800 -0.108 0.000 0.957 283 D HN 0.146 nan 8.370 nan 0.000 0.484 284 A N 1.837 124.500 122.820 -0.261 0.000 1.968 284 A HA -0.241 4.079 4.320 -0.000 0.000 0.227 284 A C -0.359 176.829 177.584 -0.660 0.000 1.381 284 A CA 2.275 54.074 52.037 -0.397 0.000 0.697 284 A CB -1.980 16.760 19.000 -0.434 0.000 0.836 284 A HN 0.315 nan 8.150 nan 0.000 0.497 285 P HA -0.158 nan 4.420 nan 0.000 0.217 285 P C 0.697 177.902 177.300 -0.159 0.000 1.148 285 P CA 1.635 64.231 63.100 -0.841 0.000 0.828 285 P CB -0.392 30.871 31.700 -0.728 0.000 0.783 286 N N -0.865 117.734 118.700 -0.168 0.000 2.571 286 N HA 0.074 4.814 4.740 -0.000 0.000 0.189 286 N C 0.430 175.898 175.510 -0.069 0.000 1.154 286 N CA -0.458 52.539 53.050 -0.088 0.000 0.907 286 N CB -0.117 38.315 38.487 -0.091 0.000 0.977 286 N HN 0.138 nan 8.380 nan 0.000 0.449 287 A N 0.538 123.340 122.820 -0.029 0.000 2.388 287 A HA 0.156 4.476 4.320 -0.000 0.000 0.257 287 A C 1.297 178.782 177.584 -0.165 0.000 1.095 287 A CA -0.383 51.643 52.037 -0.018 0.000 0.791 287 A CB 0.413 19.475 19.000 0.104 0.000 1.029 287 A HN 0.203 nan 8.150 nan 0.000 0.489 288 L N 1.057 122.205 121.223 -0.126 0.000 2.064 288 L HA -0.192 4.148 4.340 -0.000 0.000 0.216 288 L C 1.238 177.952 176.870 -0.261 0.000 1.077 288 L CA 1.810 56.552 54.840 -0.163 0.000 0.766 288 L CB -0.137 41.873 42.059 -0.082 0.000 0.890 288 L HN 0.896 nan 8.230 nan 0.000 0.435 289 N N -2.758 115.838 118.700 -0.173 0.000 3.261 289 N HA 0.167 4.907 4.740 -0.000 0.000 0.248 289 N C -1.442 174.234 175.510 0.276 0.000 1.498 289 N CA -0.369 52.641 53.050 -0.066 0.000 0.884 289 N CB 1.721 40.197 38.487 -0.019 0.000 1.428 289 N HN -0.371 nan 8.380 nan 0.000 0.517 290 T N 0.573 115.359 114.554 0.386 0.000 2.881 290 T HA 0.479 4.829 4.350 -0.000 0.000 0.291 290 T C -0.918 173.902 174.700 0.199 0.000 0.990 290 T CA -0.303 62.011 62.100 0.358 0.000 0.976 290 T CB 1.068 70.213 68.868 0.462 0.000 0.970 290 T HN 0.201 nan 8.240 nan 0.000 0.438 291 V N 5.418 125.427 119.914 0.157 0.000 2.472 291 V HA 0.499 4.619 4.120 -0.000 0.000 0.290 291 V C -0.118 176.029 176.094 0.088 0.000 1.037 291 V CA -0.858 61.507 62.300 0.108 0.000 0.908 291 V CB 1.476 33.372 31.823 0.121 0.000 0.985 291 V HN 0.701 nan 8.190 nan 0.000 0.454 292 L N 5.477 126.718 121.223 0.030 0.000 2.262 292 L HA 0.389 4.729 4.340 -0.000 0.000 0.288 292 L C 1.062 177.897 176.870 -0.058 0.000 1.035 292 L CA -0.394 54.418 54.840 -0.046 0.000 0.820 292 L CB 1.304 43.301 42.059 -0.103 0.000 1.204 292 L HN 0.618 nan 8.230 nan 0.000 0.424 293 L N 2.196 123.371 121.223 -0.081 0.000 2.083 293 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 293 L C 0.830 177.620 176.870 -0.134 0.000 1.083 293 L CA 1.521 56.295 54.840 -0.110 0.000 0.752 293 L CB -0.104 41.864 42.059 -0.152 0.000 0.899 293 L HN 0.718 nan 8.230 nan 0.000 0.433 294 Q N -0.536 119.134 119.800 -0.217 0.000 2.943 294 Q HA 0.159 4.499 4.340 -0.000 0.000 0.327 294 Q C -1.691 174.109 176.000 -0.334 0.000 0.937 294 Q CA -1.481 54.191 55.803 -0.218 0.000 0.914 294 Q CB 1.232 29.824 28.738 -0.243 0.000 1.339 294 Q HN 0.092 nan 8.270 nan 0.000 0.417 295 P HA -0.225 nan 4.420 nan 0.000 0.215 295 P C 0.555 177.707 177.300 -0.247 0.000 1.163 295 P CA 1.371 64.311 63.100 -0.267 0.000 0.894 295 P CB -0.002 31.513 31.700 -0.309 0.000 0.791 296 W N 0.728 121.999 121.300 -0.050 0.000 2.513 296 W HA -0.151 4.509 4.660 -0.000 0.000 0.268 296 W C 1.650 178.195 176.519 0.043 0.000 1.195 296 W CA 1.369 58.733 57.345 0.032 0.000 1.159 296 W CB -0.864 28.662 29.460 0.110 0.000 1.142 296 W HN 0.395 nan 8.180 nan 0.000 0.595 297 H N -3.212 115.907 119.070 0.081 0.000 3.237 297 H HA 0.310 4.866 4.556 -0.000 0.000 0.224 297 H C -0.086 175.241 175.328 -0.001 0.000 1.370 297 H CA -0.292 55.770 56.048 0.023 0.000 1.112 297 H CB -0.578 29.164 29.762 -0.033 0.000 2.482 297 H HN 0.227 nan 8.280 nan 0.000 0.561 298 L N 0.666 121.825 121.223 -0.107 0.000 3.510 298 L HA 0.195 4.535 4.340 -0.000 0.000 0.324 298 L C 1.321 178.164 176.870 -0.045 0.000 1.307 298 L CA 0.010 54.797 54.840 -0.087 0.000 1.011 298 L CB 0.800 42.733 42.059 -0.209 0.000 1.422 298 L HN 0.139 nan 8.230 nan 0.000 0.617 299 E N 1.083 121.264 120.200 -0.030 0.000 2.085 299 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 299 E C 1.714 178.316 176.600 0.003 0.000 0.994 299 E CA 1.232 57.612 56.400 -0.034 0.000 0.801 299 E CB 0.140 29.827 29.700 -0.022 0.000 0.743 299 E HN 0.310 nan 8.360 nan 0.000 0.453 300 K N 0.461 120.880 120.400 0.031 0.000 2.442 300 K HA -0.073 4.247 4.320 -0.000 0.000 0.198 300 K C 1.662 178.297 176.600 0.058 0.000 1.042 300 K CA 1.121 57.431 56.287 0.039 0.000 0.958 300 K CB 0.205 32.728 32.500 0.038 0.000 0.766 300 K HN -0.033 nan 8.250 nan 0.000 0.474 301 T N 0.062 114.659 114.554 0.071 0.000 3.004 301 T HA -0.003 4.347 4.350 -0.000 0.000 0.243 301 T C 1.488 176.224 174.700 0.060 0.000 1.020 301 T CA 0.519 62.686 62.100 0.112 0.000 1.145 301 T CB 0.046 69.006 68.868 0.154 0.000 0.876 301 T HN 0.223 nan 8.240 nan 0.000 0.449 302 K N 1.616 122.021 120.400 0.008 0.000 2.044 302 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 302 K C 2.273 178.860 176.600 -0.022 0.000 1.049 302 K CA 1.559 57.833 56.287 -0.022 0.000 0.927 302 K CB -0.114 32.354 32.500 -0.054 0.000 0.713 302 K HN 0.158 nan 8.250 nan 0.000 0.443 303 K N 0.020 120.417 120.400 -0.004 0.000 1.988 303 K HA -0.242 4.078 4.320 -0.000 0.000 0.221 303 K C 2.079 178.670 176.600 -0.015 0.000 1.053 303 K CA 2.139 58.424 56.287 -0.003 0.000 0.959 303 K CB -0.487 32.025 32.500 0.019 0.000 0.728 303 K HN 0.173 nan 8.250 nan 0.000 0.447 304 F N 1.470 121.338 119.950 -0.137 0.000 2.091 304 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 304 F C 1.903 177.504 175.800 -0.332 0.000 1.103 304 F CA 1.691 59.562 58.000 -0.214 0.000 1.228 304 F CB -0.418 38.431 39.000 -0.252 0.000 0.984 304 F HN -0.095 nan 8.300 nan 0.000 0.477 305 V N 0.582 120.310 119.914 -0.311 0.000 2.255 305 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 305 V C 2.327 178.260 176.094 -0.267 0.000 1.051 305 V CA 2.450 64.467 62.300 -0.473 0.000 1.018 305 V CB -0.752 30.943 31.823 -0.213 0.000 0.641 305 V HN 0.378 nan 8.190 nan 0.000 0.445 306 E N 0.157 120.281 120.200 -0.127 0.000 2.047 306 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 306 E C 2.339 178.886 176.600 -0.088 0.000 0.987 306 E CA 1.235 57.608 56.400 -0.045 0.000 0.799 306 E CB -0.571 29.116 29.700 -0.022 0.000 0.752 306 E HN 0.636 nan 8.360 nan 0.000 0.449 307 G N 0.453 109.165 108.800 -0.147 0.000 2.446 307 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 307 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 307 G C 1.586 176.360 174.900 -0.210 0.000 1.168 307 G CA 1.529 46.538 45.100 -0.153 0.000 0.771 307 G HN 0.191 nan 8.290 nan 0.000 0.551 308 T N -0.726 113.568 114.554 -0.432 0.000 3.115 308 T HA 0.022 4.372 4.350 -0.000 0.000 0.235 308 T C 1.928 176.566 174.700 -0.104 0.000 0.999 308 T CA 0.521 62.386 62.100 -0.392 0.000 1.276 308 T CB -0.209 68.135 68.868 -0.874 0.000 0.967 308 T HN 0.329 nan 8.240 nan 0.000 0.420 309 W N 2.315 123.380 121.300 -0.393 0.000 2.359 309 W HA 0.074 4.734 4.660 -0.000 0.000 0.275 309 W C 0.639 177.165 176.519 0.012 0.000 1.217 309 W CA 0.441 57.648 57.345 -0.230 0.000 1.196 309 W CB -0.672 28.476 29.460 -0.520 0.000 1.129 309 W HN 0.276 nan 8.180 nan 0.000 0.566 310 K N -0.326 120.183 120.400 0.182 0.000 3.125 310 K HA -0.231 4.089 4.320 -0.000 0.000 0.268 310 K C -0.356 176.425 176.600 0.302 0.000 1.078 310 K CA 0.784 57.175 56.287 0.174 0.000 0.775 310 K CB -2.459 30.116 32.500 0.125 0.000 1.253 310 K HN 0.447 nan 8.250 nan 0.000 0.486 311 H N 0.425 119.556 119.070 0.102 0.000 2.483 311 H HA 0.239 4.795 4.556 -0.000 0.000 0.338 311 H C 0.219 175.579 175.328 0.052 0.000 1.152 311 H CA -0.717 55.390 56.048 0.098 0.000 1.264 311 H CB 1.132 30.996 29.762 0.170 0.000 1.510 311 H HN 0.061 nan 8.280 nan 0.000 0.530 312 E N 2.459 122.741 120.200 0.136 0.000 2.069 312 E HA 0.123 4.473 4.350 -0.000 0.000 0.254 312 E C -0.547 176.091 176.600 0.064 0.000 1.088 312 E CA -0.417 56.023 56.400 0.068 0.000 1.017 312 E CB 0.655 30.370 29.700 0.024 0.000 1.226 312 E HN 0.240 nan 8.360 nan 0.000 0.458 313 V N 5.211 125.171 119.914 0.077 0.000 2.540 313 V HA 0.010 4.130 4.120 -0.000 0.000 0.297 313 V C -1.297 174.800 176.094 0.005 0.000 1.024 313 V CA -0.872 61.460 62.300 0.053 0.000 1.105 313 V CB -0.187 31.659 31.823 0.038 0.000 0.938 313 V HN 0.495 nan 8.190 nan 0.000 0.482 314 P HA 0.142 nan 4.420 nan 0.000 0.274 314 P C -0.573 176.695 177.300 -0.053 0.000 1.246 314 P CA -0.674 62.408 63.100 -0.030 0.000 0.795 314 P CB 0.882 32.562 31.700 -0.034 0.000 1.006 315 K N 2.082 122.443 120.400 -0.064 0.000 2.518 315 K HA 0.265 4.585 4.320 -0.000 0.000 0.244 315 K C -0.493 176.042 176.600 -0.108 0.000 1.232 315 K CA -0.259 55.971 56.287 -0.095 0.000 1.189 315 K CB -0.816 31.637 32.500 -0.079 0.000 1.737 315 K HN 0.422 nan 8.250 nan 0.000 0.333 316 L N 1.675 122.834 121.223 -0.106 0.000 2.344 316 L HA 0.376 4.716 4.340 -0.000 0.000 0.272 316 L C 0.312 177.070 176.870 -0.186 0.000 1.035 316 L CA -1.059 53.717 54.840 -0.107 0.000 0.807 316 L CB 1.415 43.476 42.059 0.003 0.000 1.237 316 L HN 0.394 nan 8.230 nan 0.000 0.442 317 N N 1.245 119.754 118.700 -0.319 0.000 2.477 317 N HA 0.368 5.108 4.740 -0.000 0.000 0.284 317 N C -0.433 174.963 175.510 -0.191 0.000 1.182 317 N CA -0.625 52.143 53.050 -0.469 0.000 0.949 317 N CB 2.312 39.944 38.487 -1.425 0.000 1.204 317 N HN 0.521 nan 8.380 nan 0.000 0.526 318 I N 2.930 123.470 120.570 -0.050 0.000 2.821 318 I HA -0.015 4.155 4.170 -0.000 0.000 0.294 318 I C -1.665 174.530 176.117 0.129 0.000 1.210 318 I CA -0.895 60.433 61.300 0.047 0.000 1.430 318 I CB 0.662 38.744 38.000 0.136 0.000 1.356 318 I HN 0.260 nan 8.210 nan 0.000 0.563 319 P HA 0.090 nan 4.420 nan 0.000 0.252 319 P C -1.111 176.168 177.300 -0.035 0.000 1.694 319 P CA 0.385 63.452 63.100 -0.055 0.000 1.163 319 P CB -0.138 31.281 31.700 -0.468 0.000 1.934 320 M N 1.485 121.147 119.600 0.103 0.000 2.464 320 M HA 0.632 5.112 4.480 -0.000 0.000 0.308 320 M C 0.449 176.643 176.300 -0.177 0.000 1.127 320 M CA -0.150 55.116 55.300 -0.057 0.000 0.913 320 M CB 2.703 35.294 32.600 -0.015 0.000 1.689 320 M HN 0.339 nan 8.290 nan 0.000 0.445 321 G N 1.041 109.553 108.800 -0.480 0.000 2.730 321 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 321 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 321 G C -0.320 174.463 174.900 -0.195 0.000 1.343 321 G CA -0.356 44.361 45.100 -0.639 0.000 0.826 321 G HN 0.762 nan 8.290 nan 0.000 0.582 322 L N 0.551 121.737 121.223 -0.061 0.000 1.933 322 L HA 0.003 4.343 4.340 -0.000 0.000 0.220 322 L C 2.550 179.498 176.870 0.129 0.000 1.078 322 L CA 3.135 58.010 54.840 0.059 0.000 0.773 322 L CB -1.025 41.060 42.059 0.043 0.000 0.890 322 L HN 0.754 nan 8.230 nan 0.000 0.434 323 D N -0.821 119.616 120.400 0.062 0.000 2.269 323 D HA -0.284 4.356 4.640 -0.000 0.000 0.191 323 D C 2.002 178.460 176.300 0.262 0.000 1.007 323 D CA 2.138 56.202 54.000 0.107 0.000 0.855 323 D CB -0.624 40.182 40.800 0.009 0.000 0.979 323 D HN 0.470 nan 8.370 nan 0.000 0.452 324 W N 1.129 122.483 121.300 0.092 0.000 2.318 324 W HA -0.134 4.526 4.660 -0.000 0.000 0.313 324 W C 2.720 179.298 176.519 0.098 0.000 1.221 324 W CA 1.172 58.568 57.345 0.085 0.000 1.266 324 W CB -1.668 27.828 29.460 0.061 0.000 1.150 324 W HN 0.017 nan 8.180 nan 0.000 0.496 325 T N 0.296 115.024 114.554 0.289 0.000 2.778 325 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 325 T C 1.210 176.026 174.700 0.193 0.000 1.050 325 T CA 1.863 64.047 62.100 0.140 0.000 1.137 325 T CB -0.356 68.489 68.868 -0.039 0.000 0.860 325 T HN 0.057 nan 8.240 nan 0.000 0.468 326 D N 1.211 121.779 120.400 0.280 0.000 2.077 326 D HA -0.075 4.565 4.640 -0.000 0.000 0.193 326 D C 2.219 178.635 176.300 0.193 0.000 0.989 326 D CA 1.077 55.229 54.000 0.253 0.000 0.831 326 D CB -0.398 40.539 40.800 0.228 0.000 0.979 326 D HN 0.480 nan 8.370 nan 0.000 0.449 327 E N -0.196 120.128 120.200 0.207 0.000 2.136 327 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 327 E C 1.972 178.648 176.600 0.127 0.000 1.019 327 E CA 0.862 57.354 56.400 0.154 0.000 0.819 327 E CB -0.264 29.537 29.700 0.169 0.000 0.739 327 E HN 0.249 nan 8.360 nan 0.000 0.458 328 F N 1.247 121.214 119.950 0.029 0.000 2.051 328 F HA -0.189 4.338 4.527 -0.000 0.000 0.296 328 F C 1.997 177.782 175.800 -0.025 0.000 1.122 328 F CA 1.392 59.383 58.000 -0.014 0.000 1.201 328 F CB -0.317 38.663 39.000 -0.034 0.000 0.978 328 F HN -0.102 nan 8.300 nan 0.000 0.472 329 L N -0.087 121.186 121.223 0.083 0.000 2.021 329 L HA -0.337 4.003 4.340 -0.000 0.000 0.215 329 L C 2.605 179.407 176.870 -0.113 0.000 1.074 329 L CA 1.972 56.782 54.840 -0.051 0.000 0.760 329 L CB -0.876 41.212 42.059 0.048 0.000 0.889 329 L HN 0.326 nan 8.230 nan 0.000 0.433 330 M N -0.377 119.199 119.600 -0.039 0.000 2.180 330 M HA -0.264 4.216 4.480 -0.000 0.000 0.260 330 M C 2.401 178.646 176.300 -0.090 0.000 1.071 330 M CA 1.840 57.119 55.300 -0.036 0.000 1.096 330 M CB -0.588 32.017 32.600 0.008 0.000 1.276 330 M HN 0.007 nan 8.290 nan 0.000 0.426 331 K N 0.538 120.870 120.400 -0.114 0.000 2.173 331 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 331 K C 1.524 178.007 176.600 -0.195 0.000 1.046 331 K CA 1.374 57.578 56.287 -0.137 0.000 0.929 331 K CB -0.615 31.802 32.500 -0.139 0.000 0.720 331 K HN 0.203 nan 8.250 nan 0.000 0.453 332 V N -0.199 119.526 119.914 -0.314 0.000 2.307 332 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 332 V C 2.328 178.325 176.094 -0.161 0.000 1.045 332 V CA 1.906 64.018 62.300 -0.313 0.000 1.024 332 V CB -0.596 30.948 31.823 -0.464 0.000 0.651 332 V HN 0.504 nan 8.190 nan 0.000 0.449 333 S N -0.332 115.293 115.700 -0.125 0.000 2.380 333 S HA -0.331 4.139 4.470 -0.000 0.000 0.217 333 S C 2.093 176.657 174.600 -0.060 0.000 1.036 333 S CA 2.271 60.430 58.200 -0.068 0.000 1.050 333 S CB -0.532 62.642 63.200 -0.043 0.000 1.016 333 S HN 0.678 nan 8.310 nan 0.000 0.419 334 E N 0.138 120.303 120.200 -0.057 0.000 2.196 334 E HA -0.264 4.086 4.350 -0.000 0.000 0.222 334 E C 1.966 178.537 176.600 -0.048 0.000 1.072 334 E CA 2.227 58.600 56.400 -0.046 0.000 0.902 334 E CB -0.434 29.238 29.700 -0.046 0.000 0.780 334 E HN 0.722 nan 8.360 nan 0.000 0.467 335 I N 0.405 120.937 120.570 -0.063 0.000 2.133 335 I HA -0.258 3.912 4.170 -0.000 0.000 0.238 335 I C 2.801 178.889 176.117 -0.047 0.000 1.074 335 I CA 1.394 62.660 61.300 -0.057 0.000 1.342 335 I CB -0.495 37.465 38.000 -0.068 0.000 1.053 335 I HN 0.207 nan 8.210 nan 0.000 0.404 336 S N 0.638 116.310 115.700 -0.047 0.000 2.402 336 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 336 S C 1.807 176.392 174.600 -0.025 0.000 1.021 336 S CA 0.762 58.943 58.200 -0.031 0.000 0.974 336 S CB -0.374 62.811 63.200 -0.025 0.000 0.800 336 S HN 0.695 nan 8.310 nan 0.000 0.484 337 G N 0.560 109.344 108.800 -0.027 0.000 2.132 337 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.234 337 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.234 337 G C -0.298 174.594 174.900 -0.013 0.000 0.989 337 G CA 0.012 45.100 45.100 -0.020 0.000 0.676 337 G HN 0.544 nan 8.290 nan 0.000 0.522 338 Q N 0.634 120.426 119.800 -0.014 0.000 2.307 338 Q HA 0.445 4.785 4.340 -0.000 0.000 0.262 338 Q C -2.215 173.783 176.000 -0.005 0.000 0.961 338 Q CA -1.839 53.961 55.803 -0.005 0.000 0.882 338 Q CB 2.478 31.216 28.738 -0.000 0.000 1.264 338 Q HN 0.383 nan 8.270 nan 0.000 0.446 339 P HA 0.172 nan 4.420 nan 0.000 0.272 339 P C -0.093 177.215 177.300 0.013 0.000 1.223 339 P CA -0.247 62.856 63.100 0.006 0.000 0.784 339 P CB 1.010 32.715 31.700 0.009 0.000 0.923 340 I N 4.016 124.598 120.570 0.019 0.000 2.483 340 I HA 0.069 4.239 4.170 -0.000 0.000 0.291 340 I C -1.274 174.866 176.117 0.038 0.000 1.112 340 I CA -1.677 59.642 61.300 0.032 0.000 1.350 340 I CB 0.066 38.094 38.000 0.046 0.000 1.419 340 I HN 0.220 nan 8.210 nan 0.000 0.523 341 P HA -0.023 nan 4.420 nan 0.000 0.266 341 P C 0.610 177.936 177.300 0.044 0.000 1.195 341 P CA -0.086 63.037 63.100 0.037 0.000 0.768 341 P CB 1.081 32.802 31.700 0.036 0.000 0.838 342 A N 3.566 126.408 122.820 0.036 0.000 1.927 342 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 342 A C 2.325 179.935 177.584 0.043 0.000 1.185 342 A CA 2.476 54.534 52.037 0.035 0.000 0.639 342 A CB -1.660 17.355 19.000 0.026 0.000 0.820 342 A HN 0.642 nan 8.150 nan 0.000 0.451 343 S N 0.162 115.888 115.700 0.043 0.000 2.404 343 S HA -0.257 4.213 4.470 -0.000 0.000 0.230 343 S C 1.799 176.441 174.600 0.071 0.000 1.046 343 S CA 1.858 60.087 58.200 0.049 0.000 1.135 343 S CB -0.775 62.453 63.200 0.045 0.000 1.056 343 S HN 0.531 nan 8.310 nan 0.000 0.426 344 L N 1.055 122.333 121.223 0.092 0.000 2.131 344 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 344 L C 2.685 179.658 176.870 0.173 0.000 1.092 344 L CA 1.226 56.160 54.840 0.156 0.000 0.759 344 L CB -1.274 40.873 42.059 0.147 0.000 0.903 344 L HN 0.377 nan 8.230 nan 0.000 0.435 345 T N -0.588 114.032 114.554 0.109 0.000 2.759 345 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 345 T C 1.937 176.661 174.700 0.040 0.000 1.042 345 T CA 1.476 63.623 62.100 0.078 0.000 1.140 345 T CB -0.035 68.863 68.868 0.051 0.000 0.864 345 T HN 0.261 nan 8.240 nan 0.000 0.455 346 K N 0.776 121.201 120.400 0.041 0.000 2.021 346 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 346 K C 2.411 179.015 176.600 0.007 0.000 1.047 346 K CA 1.071 57.368 56.287 0.018 0.000 0.943 346 K CB -0.086 32.427 32.500 0.023 0.000 0.725 346 K HN 0.304 nan 8.250 nan 0.000 0.439 347 E N 0.777 121.006 120.200 0.049 0.000 2.108 347 E HA -0.336 4.014 4.350 -0.000 0.000 0.203 347 E C 2.090 178.654 176.600 -0.061 0.000 1.022 347 E CA 1.723 58.157 56.400 0.057 0.000 0.823 347 E CB -0.048 29.757 29.700 0.174 0.000 0.744 347 E HN 0.201 nan 8.360 nan 0.000 0.456 348 R N -0.385 120.021 120.500 -0.158 0.000 2.113 348 R HA -0.175 4.165 4.340 -0.000 0.000 0.231 348 R C 2.485 178.617 176.300 -0.280 0.000 1.129 348 R CA 2.106 57.877 56.100 -0.548 0.000 0.915 348 R CB -1.026 28.998 30.300 -0.460 0.000 0.837 348 R HN 0.306 nan 8.270 nan 0.000 0.430 349 G N 0.607 109.319 108.800 -0.146 0.000 2.656 349 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.223 349 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.223 349 G C 1.482 176.336 174.900 -0.077 0.000 1.130 349 G CA 1.487 46.533 45.100 -0.089 0.000 0.758 349 G HN 0.421 nan 8.290 nan 0.000 0.608 350 R N -0.504 119.955 120.500 -0.069 0.000 2.066 350 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 350 R C 2.535 178.804 176.300 -0.051 0.000 1.131 350 R CA 1.229 57.303 56.100 -0.043 0.000 0.955 350 R CB -0.674 29.613 30.300 -0.022 0.000 0.851 350 R HN 0.403 nan 8.270 nan 0.000 0.432 351 L N 1.041 122.208 121.223 -0.094 0.000 2.129 351 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 351 L C 1.929 178.769 176.870 -0.050 0.000 1.087 351 L CA 1.622 56.415 54.840 -0.078 0.000 0.757 351 L CB -0.266 41.691 42.059 -0.171 0.000 0.896 351 L HN -0.066 nan 8.230 nan 0.000 0.434 352 V N -0.114 119.752 119.914 -0.080 0.000 2.379 352 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 352 V C 2.313 178.393 176.094 -0.024 0.000 1.044 352 V CA 1.702 63.972 62.300 -0.050 0.000 1.036 352 V CB -0.684 31.099 31.823 -0.066 0.000 0.664 352 V HN 0.590 nan 8.190 nan 0.000 0.453 353 D N 0.062 120.448 120.400 -0.023 0.000 2.137 353 D HA -0.275 4.365 4.640 -0.000 0.000 0.189 353 D C 2.175 178.483 176.300 0.014 0.000 0.998 353 D CA 2.414 56.411 54.000 -0.005 0.000 0.839 353 D CB -0.223 40.574 40.800 -0.004 0.000 0.962 353 D HN 0.320 nan 8.370 nan 0.000 0.446 354 M N -0.716 118.895 119.600 0.019 0.000 2.308 354 M HA -0.315 4.165 4.480 -0.000 0.000 0.257 354 M C 2.533 178.866 176.300 0.055 0.000 1.070 354 M CA 2.104 57.427 55.300 0.039 0.000 1.080 354 M CB -0.496 32.130 32.600 0.042 0.000 1.274 354 M HN 0.205 nan 8.290 nan 0.000 0.434 355 M N -0.315 119.314 119.600 0.048 0.000 2.113 355 M HA -0.261 4.219 4.480 -0.000 0.000 0.255 355 M C 2.399 178.743 176.300 0.073 0.000 1.073 355 M CA 2.639 57.967 55.300 0.048 0.000 1.091 355 M CB -1.017 31.596 32.600 0.022 0.000 1.309 355 M HN 0.602 nan 8.290 nan 0.000 0.407 356 T N -2.469 112.108 114.554 0.039 0.000 2.821 356 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 356 T C 1.393 176.203 174.700 0.184 0.000 1.046 356 T CA 1.686 63.816 62.100 0.050 0.000 1.139 356 T CB -0.531 68.325 68.868 -0.020 0.000 0.871 356 T HN 0.235 nan 8.240 nan 0.000 0.454 357 D N 2.067 122.533 120.400 0.110 0.000 2.221 357 D HA -0.037 4.603 4.640 -0.000 0.000 0.204 357 D C 1.383 177.754 176.300 0.117 0.000 0.982 357 D CA 1.600 55.660 54.000 0.100 0.000 0.857 357 D CB -0.138 40.703 40.800 0.067 0.000 0.934 357 D HN 0.697 nan 8.370 nan 0.000 0.475 358 S N -0.772 115.014 115.700 0.143 0.000 2.941 358 S HA 0.074 4.544 4.470 -0.000 0.000 0.248 358 S C 1.091 175.751 174.600 0.101 0.000 0.962 358 S CA -0.759 57.516 58.200 0.125 0.000 1.092 358 S CB -0.432 62.862 63.200 0.158 0.000 1.113 358 S HN 0.318 nan 8.310 nan 0.000 0.512 359 H N 1.638 120.717 119.070 0.015 0.000 2.333 359 H HA -0.082 4.474 4.556 -0.000 0.000 0.302 359 H C 2.040 177.378 175.328 0.017 0.000 1.075 359 H CA 1.934 57.987 56.048 0.009 0.000 1.348 359 H CB -1.726 28.025 29.762 -0.018 0.000 1.393 359 H HN 0.512 nan 8.280 nan 0.000 0.509 360 T N -1.253 112.704 114.554 -0.994 0.000 2.701 360 T HA -0.302 4.048 4.350 -0.000 0.000 0.265 360 T C 1.923 176.375 174.700 -0.414 0.000 1.032 360 T CA 2.033 63.675 62.100 -0.764 0.000 1.158 360 T CB -1.126 67.206 68.868 -0.893 0.000 0.854 360 T HN 0.606 nan 8.240 nan 0.000 0.463 361 W N 0.688 121.914 121.300 -0.124 0.000 2.494 361 W HA 0.430 5.090 4.660 -0.000 0.000 0.286 361 W C 2.372 178.901 176.519 0.016 0.000 1.218 361 W CA -0.504 56.818 57.345 -0.038 0.000 1.313 361 W CB -0.073 29.368 29.460 -0.032 0.000 1.105 361 W HN 0.182 nan 8.180 nan 0.000 0.561 362 L N -0.693 120.679 121.223 0.248 0.000 2.209 362 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 362 L C 1.496 178.449 176.870 0.138 0.000 1.094 362 L CA 0.361 55.312 54.840 0.185 0.000 0.790 362 L CB -0.909 41.215 42.059 0.107 0.000 0.932 362 L HN -0.028 nan 8.230 nan 0.000 0.447 363 H N 1.592 120.678 119.070 0.027 0.000 3.125 363 H HA -0.017 4.539 4.556 -0.000 0.000 0.310 363 H C 0.749 176.101 175.328 0.041 0.000 0.980 363 H CA 1.000 57.052 56.048 0.008 0.000 1.422 363 H CB 0.457 30.234 29.762 0.025 0.000 1.432 363 H HN 0.357 nan 8.280 nan 0.000 0.577 364 G N 5.204 113.760 108.800 -0.407 0.000 2.298 364 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.287 364 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.287 364 G C -0.287 174.575 174.900 -0.064 0.000 1.075 364 G CA 0.034 45.022 45.100 -0.186 0.000 0.960 364 G HN 0.580 nan 8.290 nan 0.000 0.502 365 K N 0.387 120.739 120.400 -0.080 0.000 2.425 365 K HA 0.315 4.635 4.320 -0.000 0.000 0.259 365 K C 0.691 177.087 176.600 -0.339 0.000 0.978 365 K CA -0.744 55.426 56.287 -0.195 0.000 0.883 365 K CB 1.209 33.605 32.500 -0.173 0.000 1.110 365 K HN 0.462 nan 8.250 nan 0.000 0.436 366 R N 2.642 122.947 120.500 -0.325 0.000 2.370 366 R HA 0.263 4.603 4.340 -0.000 0.000 0.309 366 R C -0.312 175.777 176.300 -0.352 0.000 1.059 366 R CA 0.143 56.097 56.100 -0.243 0.000 0.981 366 R CB 0.073 30.272 30.300 -0.168 0.000 0.972 366 R HN 0.265 nan 8.270 nan 0.000 0.437 367 F N 0.810 120.779 119.950 0.031 0.000 2.561 367 F HA 0.630 5.157 4.527 -0.000 0.000 0.321 367 F C 0.175 176.025 175.800 0.083 0.000 1.065 367 F CA -0.991 57.060 58.000 0.086 0.000 0.934 367 F CB 1.979 41.026 39.000 0.077 0.000 1.215 367 F HN 0.463 nan 8.300 nan 0.000 0.471 368 A N 2.953 126.000 122.820 0.379 0.000 2.356 368 A HA 0.896 5.216 4.320 -0.000 0.000 0.310 368 A C -1.429 176.390 177.584 0.392 0.000 1.075 368 A CA -0.529 51.734 52.037 0.377 0.000 0.746 368 A CB 0.999 20.246 19.000 0.413 0.000 1.221 368 A HN 0.774 nan 8.150 nan 0.000 0.443 369 L N -1.053 120.395 121.223 0.374 0.000 2.397 369 L HA 1.112 5.452 4.340 -0.000 0.000 0.251 369 L C -0.876 176.271 176.870 0.461 0.000 1.064 369 L CA -0.775 54.241 54.840 0.293 0.000 0.859 369 L CB 1.187 43.294 42.059 0.080 0.000 1.468 369 L HN 1.155 nan 8.230 nan 0.000 0.411 370 W N -1.025 120.386 121.300 0.186 0.000 3.064 370 W HA 0.852 5.512 4.660 -0.000 0.000 0.328 370 W C -0.526 176.159 176.519 0.275 0.000 1.210 370 W CA -0.100 57.371 57.345 0.210 0.000 1.178 370 W CB 0.205 29.777 29.460 0.186 0.000 1.416 370 W HN 1.201 nan 8.180 nan 0.000 0.568 371 G N 0.481 109.552 108.800 0.452 0.000 2.564 371 G HA2 0.234 4.194 3.960 -0.000 0.000 0.139 371 G HA3 0.234 4.194 3.960 -0.000 0.000 0.139 371 G C -1.534 173.562 174.900 0.328 0.000 1.147 371 G CA -0.353 44.993 45.100 0.410 0.000 1.031 371 G HN 0.649 nan 8.290 nan 0.000 0.482 372 D N 0.996 121.579 120.400 0.304 0.000 2.332 372 D HA 0.472 5.112 4.640 -0.000 0.000 0.252 372 D C -1.419 174.873 176.300 -0.013 0.000 1.050 372 D CA -1.241 52.812 54.000 0.087 0.000 0.970 372 D CB 1.759 42.586 40.800 0.045 0.000 1.141 372 D HN -0.077 nan 8.370 nan 0.000 0.485 373 P HA -0.181 nan 4.420 nan 0.000 0.208 373 P C 0.422 177.758 177.300 0.061 0.000 1.180 373 P CA 1.574 64.317 63.100 -0.596 0.000 0.935 373 P CB 0.196 31.478 31.700 -0.698 0.000 0.785 374 D N -1.638 118.900 120.400 0.229 0.000 2.103 374 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 374 D C 1.690 178.177 176.300 0.311 0.000 0.997 374 D CA 1.093 55.303 54.000 0.351 0.000 0.833 374 D CB -0.957 40.036 40.800 0.322 0.000 0.961 374 D HN 0.060 nan 8.370 nan 0.000 0.447 375 F N 1.513 121.541 119.950 0.129 0.000 2.043 375 F HA -0.289 4.238 4.527 -0.000 0.000 0.297 375 F C 2.146 178.023 175.800 0.128 0.000 1.118 375 F CA 1.240 59.286 58.000 0.077 0.000 1.202 375 F CB -0.766 38.232 39.000 -0.004 0.000 0.965 375 F HN -0.150 nan 8.300 nan 0.000 0.482 376 V N 2.244 122.125 119.914 -0.055 0.000 2.252 376 V HA -0.433 3.687 4.120 -0.000 0.000 0.249 376 V C 2.684 178.815 176.094 0.061 0.000 1.056 376 V CA 2.780 65.044 62.300 -0.059 0.000 1.022 376 V CB -1.029 30.950 31.823 0.259 0.000 0.641 376 V HN 0.674 nan 8.190 nan 0.000 0.445 377 M N 0.709 120.489 119.600 0.300 0.000 2.159 377 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 377 M C 2.022 178.467 176.300 0.242 0.000 1.063 377 M CA 2.537 58.000 55.300 0.272 0.000 1.110 377 M CB -1.073 31.743 32.600 0.361 0.000 1.374 377 M HN 0.235 nan 8.290 nan 0.000 0.411 378 G N 1.137 110.094 108.800 0.261 0.000 2.408 378 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 378 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 378 G C 1.374 176.233 174.900 -0.068 0.000 1.150 378 G CA 0.710 45.932 45.100 0.203 0.000 0.776 378 G HN 0.399 nan 8.290 nan 0.000 0.542 379 L N 0.741 121.855 121.223 -0.182 0.000 2.046 379 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 379 L C 3.033 179.814 176.870 -0.147 0.000 1.077 379 L CA 1.149 55.852 54.840 -0.229 0.000 0.747 379 L CB -0.484 41.288 42.059 -0.478 0.000 0.896 379 L HN 0.108 nan 8.230 nan 0.000 0.432 380 V N -0.416 119.427 119.914 -0.119 0.000 2.237 380 V HA -0.316 3.804 4.120 -0.000 0.000 0.245 380 V C 2.578 178.593 176.094 -0.132 0.000 1.046 380 V CA 1.961 64.207 62.300 -0.091 0.000 1.007 380 V CB -0.741 31.057 31.823 -0.041 0.000 0.638 380 V HN 0.426 nan 8.190 nan 0.000 0.445 381 K N 0.342 120.619 120.400 -0.204 0.000 2.015 381 K HA -0.265 4.055 4.320 -0.000 0.000 0.216 381 K C 1.966 178.414 176.600 -0.253 0.000 1.052 381 K CA 2.168 58.221 56.287 -0.390 0.000 0.937 381 K CB -0.824 31.021 32.500 -1.091 0.000 0.719 381 K HN 0.312 nan 8.250 nan 0.000 0.446 382 F N 0.871 120.597 119.950 -0.374 0.000 2.134 382 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 382 F C 1.693 177.360 175.800 -0.222 0.000 1.097 382 F CA 1.322 59.156 58.000 -0.276 0.000 1.264 382 F CB -0.450 38.415 39.000 -0.224 0.000 1.001 382 F HN 0.044 nan 8.300 nan 0.000 0.479 383 L N -0.509 120.541 121.223 -0.288 0.000 2.131 383 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 383 L C 2.455 179.142 176.870 -0.306 0.000 1.092 383 L CA 1.002 55.614 54.840 -0.381 0.000 0.759 383 L CB -0.629 41.272 42.059 -0.263 0.000 0.903 383 L HN 0.178 nan 8.230 nan 0.000 0.435 384 L N -0.763 120.332 121.223 -0.213 0.000 2.093 384 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 384 L C 2.373 179.113 176.870 -0.216 0.000 1.085 384 L CA 1.142 55.883 54.840 -0.165 0.000 0.755 384 L CB -0.561 41.452 42.059 -0.076 0.000 0.904 384 L HN 0.317 nan 8.230 nan 0.000 0.435 385 E N 0.292 120.372 120.200 -0.200 0.000 2.333 385 E HA -0.160 4.190 4.350 -0.000 0.000 0.198 385 E C 2.034 178.490 176.600 -0.241 0.000 1.007 385 E CA 0.804 57.114 56.400 -0.150 0.000 0.845 385 E CB -0.013 29.678 29.700 -0.016 0.000 0.766 385 E HN 0.550 nan 8.360 nan 0.000 0.507 386 L N -0.737 120.253 121.223 -0.388 0.000 2.513 386 L HA 0.199 4.539 4.340 -0.000 0.000 0.222 386 L C 1.258 177.911 176.870 -0.362 0.000 1.096 386 L CA 0.350 54.967 54.840 -0.372 0.000 0.857 386 L CB 0.336 42.094 42.059 -0.501 0.000 1.026 386 L HN 0.239 nan 8.230 nan 0.000 0.469 387 G N -0.141 108.308 108.800 -0.585 0.000 2.167 387 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.194 387 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.194 387 G C -0.065 174.424 174.900 -0.684 0.000 1.027 387 G CA -0.211 44.256 45.100 -1.055 0.000 0.717 387 G HN 0.265 nan 8.290 nan 0.000 0.501 388 C N -0.276 118.808 119.300 -0.360 0.000 2.407 388 C HA 0.759 5.219 4.460 -0.000 0.000 0.366 388 C C 0.496 175.499 174.990 0.021 0.000 1.213 388 C CA -0.733 58.251 59.018 -0.056 0.000 2.011 388 C CB 1.724 29.583 27.740 0.199 0.000 2.306 388 C HN 0.520 nan 8.230 nan 0.000 0.527 389 E N 2.054 122.310 120.200 0.094 0.000 2.376 389 E HA 0.177 4.527 4.350 -0.000 0.000 0.236 389 E C -2.394 174.268 176.600 0.102 0.000 0.962 389 E CA -1.400 55.052 56.400 0.087 0.000 0.768 389 E CB 0.750 30.474 29.700 0.040 0.000 1.236 389 E HN 0.445 nan 8.360 nan 0.000 0.431 390 P HA -0.088 nan 4.420 nan 0.000 0.258 390 P C 1.096 178.434 177.300 0.063 0.000 1.563 390 P CA 0.239 63.410 63.100 0.119 0.000 1.241 390 P CB 0.302 32.040 31.700 0.063 0.000 1.811 391 V N 0.693 120.604 119.914 -0.006 0.000 2.427 391 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 391 V C 0.617 176.610 176.094 -0.169 0.000 1.051 391 V CA 1.403 63.600 62.300 -0.171 0.000 1.048 391 V CB -1.171 30.415 31.823 -0.395 0.000 0.666 391 V HN 0.376 nan 8.190 nan 0.000 0.456 392 H N 0.868 120.063 119.070 0.207 0.000 2.645 392 H HA 0.521 5.077 4.556 -0.000 0.000 0.257 392 H C -0.556 174.946 175.328 0.290 0.000 1.269 392 H CA -1.000 55.207 56.048 0.265 0.000 1.409 392 H CB 0.413 30.281 29.762 0.177 0.000 1.434 392 H HN 0.408 nan 8.280 nan 0.000 0.505 393 I N 3.899 124.718 120.570 0.416 0.000 2.294 393 I HA 0.107 4.277 4.170 -0.000 0.000 0.295 393 I C 0.326 176.724 176.117 0.470 0.000 1.098 393 I CA 0.096 61.612 61.300 0.361 0.000 1.277 393 I CB 0.645 38.783 38.000 0.231 0.000 1.434 393 I HN 0.224 nan 8.210 nan 0.000 0.498 394 L N 6.768 128.261 121.223 0.450 0.000 2.334 394 L HA 0.704 5.044 4.340 -0.000 0.000 0.272 394 L C -0.833 176.291 176.870 0.424 0.000 1.020 394 L CA -0.397 54.688 54.840 0.408 0.000 0.812 394 L CB 2.049 44.248 42.059 0.234 0.000 1.264 394 L HN 0.758 nan 8.230 nan 0.000 0.439 395 C N 3.011 122.520 119.300 0.348 0.000 3.277 395 C HA 0.203 4.663 4.460 -0.000 0.000 0.352 395 C C 1.128 176.230 174.990 0.185 0.000 0.998 395 C CA -0.569 58.589 59.018 0.234 0.000 1.303 395 C CB -0.610 27.149 27.740 0.032 0.000 1.698 395 C HN 1.103 nan 8.230 nan 0.000 0.574 396 H N 3.084 122.206 119.070 0.087 0.000 2.357 396 H HA -0.187 4.369 4.556 -0.000 0.000 0.296 396 H C 1.581 176.912 175.328 0.005 0.000 1.108 396 H CA 2.416 58.490 56.048 0.044 0.000 1.273 396 H CB 0.459 30.251 29.762 0.049 0.000 1.367 396 H HN 0.836 nan 8.280 nan 0.000 0.498 397 N N 0.284 118.985 118.700 0.003 0.000 2.314 397 N HA 0.084 4.824 4.740 -0.000 0.000 0.200 397 N C 0.478 175.883 175.510 -0.175 0.000 1.135 397 N CA 0.396 53.367 53.050 -0.132 0.000 0.835 397 N CB 0.219 38.607 38.487 -0.165 0.000 0.989 397 N HN 0.221 nan 8.380 nan 0.000 0.478 398 G N -0.154 108.525 108.800 -0.201 0.000 2.547 398 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 398 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 398 G C -0.271 174.613 174.900 -0.026 0.000 1.211 398 G CA -0.683 44.231 45.100 -0.311 0.000 0.950 398 G HN 0.571 nan 8.290 nan 0.000 0.504 399 N N -1.560 117.184 118.700 0.073 0.000 2.701 399 N HA 0.347 5.087 4.740 -0.000 0.000 0.290 399 N C 0.918 176.560 175.510 0.220 0.000 1.338 399 N CA -0.976 52.164 53.050 0.151 0.000 0.799 399 N CB 1.456 40.036 38.487 0.155 0.000 1.491 399 N HN 0.214 nan 8.380 nan 0.000 0.540 400 K N 0.276 120.778 120.400 0.170 0.000 2.002 400 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 400 K C 1.790 178.477 176.600 0.146 0.000 1.048 400 K CA 1.203 57.575 56.287 0.140 0.000 0.930 400 K CB -0.404 32.160 32.500 0.107 0.000 0.714 400 K HN 0.647 nan 8.250 nan 0.000 0.438 401 R N -0.697 119.926 120.500 0.205 0.000 2.117 401 R HA -0.209 4.131 4.340 -0.000 0.000 0.243 401 R C 2.170 178.613 176.300 0.238 0.000 1.143 401 R CA 2.146 58.409 56.100 0.272 0.000 0.968 401 R CB -0.453 30.084 30.300 0.395 0.000 0.863 401 R HN 0.336 nan 8.270 nan 0.000 0.444 402 W N 1.242 122.438 121.300 -0.175 0.000 2.408 402 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 402 W C 2.067 178.355 176.519 -0.384 0.000 1.190 402 W CA 1.669 58.536 57.345 -0.796 0.000 1.321 402 W CB -0.399 28.567 29.460 -0.823 0.000 1.143 402 W HN -0.042 nan 8.180 nan 0.000 0.501 403 K N 0.736 121.053 120.400 -0.140 0.000 2.144 403 K HA -0.292 4.028 4.320 -0.000 0.000 0.209 403 K C 2.013 178.432 176.600 -0.303 0.000 1.047 403 K CA 2.291 58.404 56.287 -0.290 0.000 0.927 403 K CB -0.270 32.218 32.500 -0.019 0.000 0.716 403 K HN 0.166 nan 8.250 nan 0.000 0.454 404 K N -0.137 120.169 120.400 -0.158 0.000 1.985 404 K HA -0.114 4.206 4.320 -0.000 0.000 0.210 404 K C 2.272 178.793 176.600 -0.133 0.000 1.047 404 K CA 1.228 57.458 56.287 -0.096 0.000 0.932 404 K CB -0.292 32.208 32.500 -0.000 0.000 0.716 404 K HN 0.220 nan 8.250 nan 0.000 0.439 405 A N 1.349 124.090 122.820 -0.132 0.000 1.927 405 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 405 A C 2.436 179.904 177.584 -0.193 0.000 1.185 405 A CA 1.861 53.850 52.037 -0.080 0.000 0.639 405 A CB -0.873 18.165 19.000 0.063 0.000 0.820 405 A HN 0.102 nan 8.150 nan 0.000 0.451 406 V N 0.376 120.012 119.914 -0.464 0.000 2.270 406 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 406 V C 2.181 178.136 176.094 -0.232 0.000 1.043 406 V CA 2.175 64.214 62.300 -0.435 0.000 1.014 406 V CB -0.803 30.538 31.823 -0.804 0.000 0.645 406 V HN 0.536 nan 8.190 nan 0.000 0.447 407 D N 0.283 120.546 120.400 -0.227 0.000 2.190 407 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 407 D C 2.165 178.420 176.300 -0.075 0.000 0.992 407 D CA 1.659 55.579 54.000 -0.133 0.000 0.854 407 D CB -0.018 40.711 40.800 -0.119 0.000 0.936 407 D HN 0.471 nan 8.370 nan 0.000 0.462 408 A N 0.781 123.565 122.820 -0.060 0.000 1.898 408 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 408 A C 2.336 179.928 177.584 0.014 0.000 1.181 408 A CA 0.710 52.740 52.037 -0.010 0.000 0.620 408 A CB -0.524 18.483 19.000 0.013 0.000 0.819 408 A HN 0.176 nan 8.150 nan 0.000 0.442 409 I N -0.500 120.081 120.570 0.018 0.000 2.252 409 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 409 I C 2.351 178.479 176.117 0.018 0.000 1.102 409 I CA 0.907 62.242 61.300 0.058 0.000 1.385 409 I CB -0.328 37.729 38.000 0.095 0.000 1.064 409 I HN 0.273 nan 8.210 nan 0.000 0.414 410 L N 0.659 121.871 121.223 -0.018 0.000 2.027 410 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 410 L C 2.849 179.713 176.870 -0.010 0.000 1.074 410 L CA 1.349 56.177 54.840 -0.019 0.000 0.745 410 L CB -0.695 41.338 42.059 -0.043 0.000 0.898 410 L HN 0.215 nan 8.230 nan 0.000 0.433 411 A N -0.024 122.787 122.820 -0.015 0.000 2.076 411 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 411 A C 2.181 179.765 177.584 0.000 0.000 1.160 411 A CA 1.547 53.577 52.037 -0.012 0.000 0.653 411 A CB -0.593 18.399 19.000 -0.014 0.000 0.801 411 A HN 0.407 nan 8.150 nan 0.000 0.455 412 A N -1.093 121.736 122.820 0.015 0.000 2.276 412 A HA 0.460 4.780 4.320 -0.000 0.000 0.212 412 A C 0.830 178.431 177.584 0.027 0.000 1.230 412 A CA 0.784 52.836 52.037 0.025 0.000 0.844 412 A CB -0.413 18.614 19.000 0.045 0.000 0.860 412 A HN 0.552 nan 8.150 nan 0.000 0.486 413 S N -1.102 114.611 115.700 0.021 0.000 2.575 413 S HA 0.533 5.003 4.470 -0.000 0.000 0.278 413 S C -2.472 172.124 174.600 -0.007 0.000 1.139 413 S CA -1.052 57.170 58.200 0.038 0.000 0.954 413 S CB 1.558 64.809 63.200 0.085 0.000 1.054 413 S HN -0.022 nan 8.310 nan 0.000 0.483 414 P HA -0.082 nan 4.420 nan 0.000 0.216 414 P C 0.198 177.323 177.300 -0.291 0.000 1.150 414 P CA 1.260 64.218 63.100 -0.237 0.000 0.843 414 P CB -0.102 31.358 31.700 -0.400 0.000 0.787 415 Y N -1.185 119.090 120.300 -0.042 0.000 2.488 415 Y HA 0.269 4.819 4.550 -0.000 0.000 0.319 415 Y C 1.977 177.847 175.900 -0.050 0.000 1.212 415 Y CA 0.520 58.585 58.100 -0.057 0.000 1.273 415 Y CB -0.835 37.582 38.460 -0.072 0.000 1.074 415 Y HN -0.036 nan 8.280 nan 0.000 0.503 416 G N -1.083 107.739 108.800 0.038 0.000 3.695 416 G HA2 0.049 4.009 3.960 -0.000 0.000 0.277 416 G HA3 0.049 4.009 3.960 -0.000 0.000 0.277 416 G C 1.285 176.176 174.900 -0.015 0.000 1.001 416 G CA -0.306 44.804 45.100 0.016 0.000 0.837 416 G HN 0.199 nan 8.290 nan 0.000 0.492 417 K N 0.996 121.377 120.400 -0.032 0.000 2.032 417 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 417 K C 1.068 177.649 176.600 -0.032 0.000 1.048 417 K CA 0.978 57.241 56.287 -0.040 0.000 0.927 417 K CB 0.007 32.473 32.500 -0.056 0.000 0.712 417 K HN 0.155 nan 8.250 nan 0.000 0.441 418 N N 0.578 119.262 118.700 -0.027 0.000 2.276 418 N HA 0.086 4.826 4.740 -0.000 0.000 0.212 418 N C -0.412 175.084 175.510 -0.023 0.000 1.127 418 N CA 0.024 53.059 53.050 -0.026 0.000 0.834 418 N CB 0.687 39.154 38.487 -0.032 0.000 1.014 418 N HN 0.086 nan 8.380 nan 0.000 0.491 419 A N 0.667 123.477 122.820 -0.017 0.000 2.363 419 A HA 0.525 4.845 4.320 -0.000 0.000 0.270 419 A C 0.149 177.727 177.584 -0.010 0.000 1.121 419 A CA 0.162 52.196 52.037 -0.004 0.000 0.800 419 A CB 0.451 19.449 19.000 -0.004 0.000 1.052 419 A HN 0.052 nan 8.150 nan 0.000 0.493 420 T N 1.943 116.517 114.554 0.033 0.000 2.879 420 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 420 T C -0.618 174.040 174.700 -0.070 0.000 0.993 420 T CA -0.366 61.692 62.100 -0.071 0.000 0.975 420 T CB 1.364 70.200 68.868 -0.053 0.000 0.981 420 T HN 0.446 nan 8.240 nan 0.000 0.439 421 V N 3.946 123.736 119.914 -0.207 0.000 2.472 421 V HA 0.569 4.689 4.120 -0.000 0.000 0.290 421 V C -1.215 174.796 176.094 -0.138 0.000 1.037 421 V CA -0.763 61.503 62.300 -0.056 0.000 0.908 421 V CB 0.780 32.533 31.823 -0.116 0.000 0.985 421 V HN 0.803 nan 8.190 nan 0.000 0.454 422 Y N 4.588 124.994 120.300 0.176 0.000 2.425 422 Y HA 0.765 5.315 4.550 -0.000 0.000 0.344 422 Y C 0.076 176.093 175.900 0.195 0.000 0.969 422 Y CA -1.104 57.095 58.100 0.165 0.000 1.052 422 Y CB 1.752 40.305 38.460 0.156 0.000 1.215 422 Y HN 0.624 nan 8.280 nan 0.000 0.451 423 I N -1.374 119.377 120.570 0.302 0.000 2.785 423 I HA 0.913 5.083 4.170 -0.000 0.000 0.302 423 I C 0.724 176.939 176.117 0.164 0.000 1.069 423 I CA -0.835 60.612 61.300 0.245 0.000 1.045 423 I CB 2.304 40.451 38.000 0.246 0.000 1.236 423 I HN 0.720 nan 8.210 nan 0.000 0.429 424 G N 2.923 111.836 108.800 0.188 0.000 2.304 424 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.252 424 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.252 424 G C 0.304 175.214 174.900 0.017 0.000 1.014 424 G CA -0.021 45.196 45.100 0.195 0.000 0.619 424 G HN 0.640 nan 8.290 nan 0.000 0.525 425 K N 2.016 122.317 120.400 -0.164 0.000 2.202 425 K HA 0.483 4.803 4.320 -0.000 0.000 0.264 425 K C 0.464 176.809 176.600 -0.424 0.000 1.010 425 K CA 0.425 56.384 56.287 -0.548 0.000 0.940 425 K CB 1.072 33.155 32.500 -0.695 0.000 0.983 425 K HN 0.685 nan 8.250 nan 0.000 0.475 426 D N -0.560 119.777 120.400 -0.104 0.000 2.588 426 D HA 0.180 4.820 4.640 -0.000 0.000 0.268 426 D C 1.102 177.300 176.300 -0.170 0.000 1.176 426 D CA -0.695 53.123 54.000 -0.303 0.000 1.080 426 D CB 0.297 40.910 40.800 -0.310 0.000 1.186 426 D HN 0.243 nan 8.370 nan 0.000 0.619 427 L N -0.892 120.189 121.223 -0.236 0.000 2.376 427 L HA 0.012 4.352 4.340 -0.000 0.000 0.219 427 L C 1.702 178.464 176.870 -0.180 0.000 1.133 427 L CA 0.409 55.076 54.840 -0.290 0.000 0.816 427 L CB -0.241 41.632 42.059 -0.310 0.000 0.933 427 L HN 0.501 nan 8.230 nan 0.000 0.449 428 W N 0.428 121.554 121.300 -0.291 0.000 2.518 428 W HA -0.111 4.549 4.660 -0.000 0.000 0.273 428 W C 2.094 178.437 176.519 -0.292 0.000 1.247 428 W CA 1.118 58.297 57.345 -0.277 0.000 1.288 428 W CB 0.017 29.285 29.460 -0.319 0.000 1.107 428 W HN 0.310 nan 8.180 nan 0.000 0.586 429 H N -0.012 118.899 119.070 -0.265 0.000 2.284 429 H HA -0.177 4.379 4.556 -0.000 0.000 0.304 429 H C 2.072 177.217 175.328 -0.305 0.000 1.069 429 H CA 2.073 57.882 56.048 -0.398 0.000 1.327 429 H CB -0.800 28.544 29.762 -0.695 0.000 1.387 429 H HN -0.026 nan 8.280 nan 0.000 0.498 430 L N 1.313 122.422 121.223 -0.189 0.000 2.089 430 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 430 L C 2.459 179.165 176.870 -0.274 0.000 1.079 430 L CA 1.604 56.293 54.840 -0.251 0.000 0.758 430 L CB -0.485 41.402 42.059 -0.287 0.000 0.891 430 L HN 0.173 nan 8.230 nan 0.000 0.433 431 R N -1.176 119.116 120.500 -0.346 0.000 2.103 431 R HA -0.192 4.148 4.340 -0.000 0.000 0.242 431 R C 2.134 178.266 176.300 -0.279 0.000 1.142 431 R CA 2.011 57.864 56.100 -0.411 0.000 0.960 431 R CB -0.269 29.610 30.300 -0.702 0.000 0.858 431 R HN 0.480 nan 8.270 nan 0.000 0.439 432 S N 0.980 116.558 115.700 -0.203 0.000 2.357 432 S HA -0.043 4.427 4.470 -0.000 0.000 0.221 432 S C 1.942 176.519 174.600 -0.039 0.000 1.031 432 S CA 1.081 59.269 58.200 -0.020 0.000 0.982 432 S CB -0.218 63.003 63.200 0.034 0.000 0.853 432 S HN 0.287 nan 8.310 nan 0.000 0.458 433 L N 1.894 123.025 121.223 -0.153 0.000 2.129 433 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 433 L C 2.351 179.075 176.870 -0.243 0.000 1.087 433 L CA 1.128 55.751 54.840 -0.361 0.000 0.757 433 L CB -0.938 40.626 42.059 -0.826 0.000 0.896 433 L HN 0.349 nan 8.230 nan 0.000 0.434 434 V N -5.862 113.941 119.914 -0.185 0.000 3.306 434 V HA -0.052 4.068 4.120 -0.000 0.000 0.264 434 V C 1.939 177.953 176.094 -0.134 0.000 1.149 434 V CA 0.768 63.001 62.300 -0.112 0.000 1.143 434 V CB -0.554 31.152 31.823 -0.195 0.000 0.767 434 V HN 0.131 nan 8.190 nan 0.000 0.476 435 F N 2.322 122.223 119.950 -0.083 0.000 2.243 435 F HA 0.097 4.624 4.527 -0.000 0.000 0.287 435 F C 2.818 178.578 175.800 -0.067 0.000 1.067 435 F CA 1.713 59.651 58.000 -0.102 0.000 1.304 435 F CB -0.785 38.090 39.000 -0.208 0.000 1.087 435 F HN 0.294 nan 8.300 nan 0.000 0.513 436 T N -2.328 112.311 114.554 0.141 0.000 2.639 436 T HA -0.158 4.192 4.350 -0.000 0.000 0.261 436 T C 0.918 175.675 174.700 0.094 0.000 1.053 436 T CA 1.381 63.525 62.100 0.074 0.000 1.158 436 T CB -0.547 68.336 68.868 0.026 0.000 0.863 436 T HN 0.001 nan 8.240 nan 0.000 0.413 437 D N 1.581 122.058 120.400 0.130 0.000 2.622 437 D HA 0.228 4.868 4.640 -0.000 0.000 0.262 437 D C -0.388 176.051 176.300 0.231 0.000 1.189 437 D CA -0.501 53.609 54.000 0.184 0.000 0.985 437 D CB -0.005 40.954 40.800 0.265 0.000 0.994 437 D HN 0.427 nan 8.370 nan 0.000 0.513 438 K N 3.220 123.699 120.400 0.132 0.000 2.453 438 K HA 0.105 4.425 4.320 -0.000 0.000 0.280 438 K C -2.142 174.471 176.600 0.021 0.000 1.045 438 K CA -0.835 55.502 56.287 0.084 0.000 1.059 438 K CB 0.677 33.226 32.500 0.082 0.000 0.901 438 K HN 0.245 nan 8.250 nan 0.000 0.475 439 P HA 0.212 nan 4.420 nan 0.000 0.321 439 P C -0.615 176.580 177.300 -0.176 0.000 1.304 439 P CA -0.252 62.804 63.100 -0.073 0.000 0.759 439 P CB 0.820 32.530 31.700 0.016 0.000 1.385 440 D N -2.101 118.110 120.400 -0.315 0.000 2.423 440 D HA 0.242 4.882 4.640 -0.000 0.000 0.208 440 D C -0.005 175.717 176.300 -0.963 0.000 1.068 440 D CA 0.921 54.557 54.000 -0.606 0.000 0.860 440 D CB 0.355 40.767 40.800 -0.646 0.000 0.992 440 D HN 0.226 nan 8.370 nan 0.000 0.504 441 F N -0.377 119.526 119.950 -0.078 0.000 2.741 441 F HA 0.404 4.931 4.527 -0.000 0.000 0.311 441 F C -0.764 175.175 175.800 0.231 0.000 1.149 441 F CA -0.921 57.139 58.000 0.100 0.000 0.930 441 F CB 1.267 40.402 39.000 0.224 0.000 1.312 441 F HN -0.430 nan 8.300 nan 0.000 0.450 442 M N 2.844 122.717 119.600 0.455 0.000 2.393 442 M HA 0.585 5.065 4.480 -0.000 0.000 0.316 442 M C -1.312 175.130 176.300 0.236 0.000 1.087 442 M CA -0.459 55.067 55.300 0.377 0.000 0.937 442 M CB 2.485 35.333 32.600 0.413 0.000 1.668 442 M HN 0.365 nan 8.290 nan 0.000 0.438 443 I N 2.375 122.996 120.570 0.086 0.000 2.390 443 I HA 0.701 4.871 4.170 -0.000 0.000 0.283 443 I C 0.221 176.061 176.117 -0.462 0.000 1.016 443 I CA -0.248 60.986 61.300 -0.109 0.000 1.151 443 I CB 1.282 39.207 38.000 -0.126 0.000 1.293 443 I HN 0.900 nan 8.210 nan 0.000 0.458 444 G N 4.672 113.084 108.800 -0.646 0.000 2.634 444 G HA2 0.275 4.235 3.960 -0.000 0.000 0.309 444 G HA3 0.275 4.235 3.960 -0.000 0.000 0.309 444 G C -1.465 173.102 174.900 -0.554 0.000 1.299 444 G CA -0.716 43.579 45.100 -1.342 0.000 0.798 444 G HN 0.564 nan 8.290 nan 0.000 0.490 445 N N -0.903 117.623 118.700 -0.290 0.000 2.405 445 N HA 0.345 5.085 4.740 -0.000 0.000 0.269 445 N C 1.223 176.768 175.510 0.059 0.000 1.249 445 N CA 0.307 53.322 53.050 -0.059 0.000 0.974 445 N CB 0.910 39.376 38.487 -0.035 0.000 1.204 445 N HN 0.238 nan 8.380 nan 0.000 0.565 446 S N -1.322 114.274 115.700 -0.173 0.000 2.402 446 S HA -0.170 4.300 4.470 -0.000 0.000 0.233 446 S C 1.197 175.774 174.600 -0.038 0.000 1.030 446 S CA 1.019 59.116 58.200 -0.172 0.000 1.003 446 S CB -0.809 62.197 63.200 -0.324 0.000 0.813 446 S HN 0.517 nan 8.310 nan 0.000 0.477 447 Y N 1.586 122.005 120.300 0.198 0.000 2.446 447 Y HA -0.081 4.469 4.550 -0.000 0.000 0.287 447 Y C 2.431 178.512 175.900 0.302 0.000 1.159 447 Y CA 0.438 58.716 58.100 0.298 0.000 1.297 447 Y CB -1.035 37.595 38.460 0.284 0.000 0.974 447 Y HN 0.345 nan 8.280 nan 0.000 0.557 448 G N -0.080 109.008 108.800 0.480 0.000 2.712 448 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.212 448 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.212 448 G C 1.691 176.715 174.900 0.207 0.000 1.142 448 G CA 0.469 45.829 45.100 0.433 0.000 0.789 448 G HN 0.511 nan 8.290 nan 0.000 0.535 449 K N -0.153 120.251 120.400 0.007 0.000 2.113 449 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 449 K C 1.791 178.292 176.600 -0.165 0.000 1.047 449 K CA 1.336 57.524 56.287 -0.164 0.000 0.928 449 K CB -0.496 31.784 32.500 -0.366 0.000 0.716 449 K HN 0.237 nan 8.250 nan 0.000 0.446 450 F N 1.415 121.442 119.950 0.128 0.000 2.060 450 F HA -0.070 4.457 4.527 -0.000 0.000 0.295 450 F C 2.214 178.061 175.800 0.078 0.000 1.120 450 F CA 0.710 58.775 58.000 0.108 0.000 1.205 450 F CB -0.818 38.260 39.000 0.132 0.000 0.986 450 F HN -0.129 nan 8.300 nan 0.000 0.470 451 I N 0.445 121.154 120.570 0.231 0.000 2.227 451 I HA -0.385 3.785 4.170 -0.000 0.000 0.250 451 I C 2.501 178.636 176.117 0.030 0.000 1.087 451 I CA 1.604 62.938 61.300 0.058 0.000 1.352 451 I CB -0.974 37.017 38.000 -0.014 0.000 1.043 451 I HN 0.279 nan 8.210 nan 0.000 0.425 452 Q N 0.462 120.307 119.800 0.075 0.000 1.993 452 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 452 Q C 2.507 178.558 176.000 0.085 0.000 0.984 452 Q CA 1.894 57.732 55.803 0.059 0.000 0.837 452 Q CB -0.258 28.517 28.738 0.062 0.000 0.902 452 Q HN 0.409 nan 8.270 nan 0.000 0.423 453 R N 0.128 120.696 120.500 0.113 0.000 2.133 453 R HA -0.260 4.080 4.340 -0.000 0.000 0.245 453 R C 1.439 177.858 176.300 0.199 0.000 1.137 453 R CA 2.478 58.662 56.100 0.141 0.000 0.947 453 R CB -0.460 29.942 30.300 0.171 0.000 0.865 453 R HN 0.410 nan 8.270 nan 0.000 0.437 454 D N -0.507 120.036 120.400 0.237 0.000 2.092 454 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 454 D C 1.965 178.526 176.300 0.433 0.000 0.994 454 D CA 2.381 56.618 54.000 0.395 0.000 0.828 454 D CB -0.581 40.432 40.800 0.354 0.000 0.963 454 D HN 0.535 nan 8.370 nan 0.000 0.450 455 T N -0.758 113.865 114.554 0.113 0.000 2.778 455 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 455 T C 1.856 176.716 174.700 0.266 0.000 1.050 455 T CA 0.911 63.043 62.100 0.054 0.000 1.137 455 T CB -0.411 68.389 68.868 -0.112 0.000 0.860 455 T HN 0.085 nan 8.240 nan 0.000 0.468 456 L N 0.707 122.068 121.223 0.229 0.000 2.095 456 L HA 0.155 4.495 4.340 -0.000 0.000 0.204 456 L C 2.440 179.472 176.870 0.270 0.000 1.080 456 L CA 1.770 56.740 54.840 0.218 0.000 0.759 456 L CB -1.143 41.005 42.059 0.148 0.000 0.914 456 L HN 0.348 nan 8.230 nan 0.000 0.439 457 H N 0.235 119.410 119.070 0.175 0.000 2.431 457 H HA -0.251 4.305 4.556 -0.000 0.000 0.297 457 H C 2.229 177.645 175.328 0.146 0.000 1.115 457 H CA 2.291 58.372 56.048 0.055 0.000 1.277 457 H CB 0.005 29.662 29.762 -0.176 0.000 1.372 457 H HN 0.424 nan 8.280 nan 0.000 0.516 458 K N -0.591 120.011 120.400 0.337 0.000 2.228 458 K HA 0.080 4.400 4.320 -0.000 0.000 0.202 458 K C 0.048 176.818 176.600 0.283 0.000 1.051 458 K CA 0.849 57.293 56.287 0.262 0.000 0.960 458 K CB 0.261 32.895 32.500 0.224 0.000 0.743 458 K HN 0.427 nan 8.250 nan 0.000 0.458 459 G N 0.153 109.194 108.800 0.403 0.000 2.368 459 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.303 459 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.303 459 G C -0.762 174.292 174.900 0.255 0.000 1.590 459 G CA -0.401 44.944 45.100 0.407 0.000 0.938 459 G HN -0.035 nan 8.290 nan 0.000 0.675 460 K N 0.683 121.137 120.400 0.090 0.000 2.009 460 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 460 K C 2.387 178.933 176.600 -0.090 0.000 1.049 460 K CA 2.530 58.823 56.287 0.010 0.000 0.929 460 K CB -0.074 32.415 32.500 -0.018 0.000 0.714 460 K HN 0.673 nan 8.250 nan 0.000 0.440 461 E N -0.562 119.482 120.200 -0.259 0.000 2.463 461 E HA -0.187 4.163 4.350 -0.000 0.000 0.201 461 E C 0.934 177.166 176.600 -0.613 0.000 1.045 461 E CA 0.964 57.081 56.400 -0.471 0.000 0.872 461 E CB -0.216 29.106 29.700 -0.631 0.000 0.797 461 E HN 0.387 nan 8.360 nan 0.000 0.538 462 F N 1.205 121.166 119.950 0.019 0.000 2.694 462 F HA 0.237 4.764 4.527 -0.000 0.000 0.292 462 F C 1.170 176.964 175.800 -0.010 0.000 1.121 462 F CA -0.608 57.410 58.000 0.029 0.000 1.352 462 F CB 0.016 39.081 39.000 0.109 0.000 1.107 462 F HN -0.077 nan 8.300 nan 0.000 0.597 463 E N 1.701 121.977 120.200 0.127 0.000 2.481 463 E HA 0.086 4.436 4.350 -0.000 0.000 0.263 463 E C -0.937 175.651 176.600 -0.020 0.000 0.992 463 E CA 0.157 56.593 56.400 0.059 0.000 0.938 463 E CB 0.731 30.460 29.700 0.047 0.000 0.933 463 E HN -0.092 nan 8.360 nan 0.000 0.453 464 V N 7.194 127.093 119.914 -0.025 0.000 2.380 464 V HA 0.253 4.373 4.120 -0.000 0.000 0.286 464 V C -2.298 173.815 176.094 0.032 0.000 1.015 464 V CA -1.822 60.446 62.300 -0.053 0.000 0.834 464 V CB 1.540 33.334 31.823 -0.048 0.000 1.009 464 V HN 0.719 nan 8.190 nan 0.000 0.428 465 P HA 0.107 nan 4.420 nan 0.000 0.267 465 P C -0.550 176.937 177.300 0.310 0.000 1.209 465 P CA -0.148 63.084 63.100 0.219 0.000 0.763 465 P CB 0.557 32.474 31.700 0.363 0.000 0.816 466 L N 5.447 126.791 121.223 0.202 0.000 2.350 466 L HA 0.397 4.737 4.340 -0.000 0.000 0.275 466 L C -0.694 176.251 176.870 0.126 0.000 1.099 466 L CA 0.053 55.005 54.840 0.185 0.000 0.808 466 L CB 0.117 42.264 42.059 0.146 0.000 1.149 466 L HN 0.277 nan 8.230 nan 0.000 0.442 467 I N 5.542 126.165 120.570 0.089 0.000 2.428 467 I HA 0.350 4.520 4.170 -0.000 0.000 0.279 467 I C -0.036 176.065 176.117 -0.026 0.000 1.040 467 I CA -0.613 60.689 61.300 0.003 0.000 1.171 467 I CB 0.537 38.513 38.000 -0.040 0.000 1.312 467 I HN 0.590 nan 8.210 nan 0.000 0.470 468 R N 7.182 127.666 120.500 -0.026 0.000 2.483 468 R HA 0.350 4.690 4.340 -0.000 0.000 0.329 468 R C -0.715 175.587 176.300 0.003 0.000 0.961 468 R CA 0.561 56.640 56.100 -0.035 0.000 1.041 468 R CB 0.052 30.330 30.300 -0.038 0.000 0.930 468 R HN 0.549 nan 8.270 nan 0.000 0.413 469 I N 2.110 122.687 120.570 0.011 0.000 2.637 469 I HA 0.381 4.551 4.170 -0.000 0.000 0.285 469 I C 0.393 176.522 176.117 0.019 0.000 1.222 469 I CA -0.475 60.907 61.300 0.135 0.000 1.067 469 I CB 1.964 40.073 38.000 0.183 0.000 1.279 469 I HN 0.899 nan 8.210 nan 0.000 0.441 470 G N 5.333 114.072 108.800 -0.100 0.000 2.480 470 G HA2 0.256 4.216 3.960 -0.000 0.000 0.109 470 G HA3 0.256 4.216 3.960 -0.000 0.000 0.109 470 G C -1.936 172.786 174.900 -0.296 0.000 1.172 470 G CA -0.387 44.423 45.100 -0.484 0.000 1.091 470 G HN 0.502 nan 8.290 nan 0.000 0.464 471 F N 1.910 121.620 119.950 -0.401 0.000 2.669 471 F HA 0.634 5.161 4.527 -0.000 0.000 0.315 471 F C -2.633 172.997 175.800 -0.284 0.000 1.109 471 F CA -1.056 56.673 58.000 -0.452 0.000 1.028 471 F CB 2.360 41.099 39.000 -0.435 0.000 1.287 471 F HN 0.498 nan 8.300 nan 0.000 0.452 472 P HA 0.573 nan 4.420 nan 0.000 0.283 472 P C -1.190 175.343 177.300 -1.278 0.000 1.271 472 P CA -0.435 61.537 63.100 -1.879 0.000 0.841 472 P CB 2.600 32.861 31.700 -2.398 0.000 1.122 473 I N 1.507 121.472 120.570 -1.008 0.000 2.439 473 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 473 I C 0.032 175.815 176.117 -0.556 0.000 1.021 473 I CA -0.412 60.526 61.300 -0.605 0.000 1.091 473 I CB 1.299 39.211 38.000 -0.148 0.000 1.242 473 I HN 0.198 nan 8.210 nan 0.000 0.439 474 F N 2.090 121.935 119.950 -0.174 0.000 2.740 474 F HA 0.055 4.582 4.527 -0.000 0.000 0.304 474 F C 1.772 177.528 175.800 -0.073 0.000 1.098 474 F CA -0.385 57.532 58.000 -0.137 0.000 1.258 474 F CB -0.041 38.855 39.000 -0.175 0.000 1.061 474 F HN 0.437 nan 8.300 nan 0.000 0.598 475 D N 0.490 120.931 120.400 0.067 0.000 2.352 475 D HA 0.086 4.726 4.640 -0.000 0.000 0.236 475 D C 0.338 176.628 176.300 -0.016 0.000 1.148 475 D CA 0.336 54.344 54.000 0.014 0.000 0.844 475 D CB 0.161 40.934 40.800 -0.046 0.000 0.933 475 D HN 0.054 nan 8.370 nan 0.000 0.507 476 R N -0.431 120.085 120.500 0.028 0.000 2.710 476 R HA 0.368 4.708 4.340 -0.000 0.000 0.270 476 R C -0.913 175.467 176.300 0.133 0.000 1.021 476 R CA -0.581 55.521 56.100 0.003 0.000 0.889 476 R CB 1.374 31.660 30.300 -0.024 0.000 1.243 476 R HN 0.229 nan 8.270 nan 0.000 0.464 477 H N 1.210 120.195 119.070 -0.143 0.000 2.492 477 H HA 0.276 4.832 4.556 -0.000 0.000 0.345 477 H C -0.156 175.056 175.328 -0.194 0.000 1.136 477 H CA -0.680 55.192 56.048 -0.293 0.000 1.202 477 H CB 1.256 30.724 29.762 -0.490 0.000 1.524 477 H HN 0.625 nan 8.280 nan 0.000 0.506 478 H N 1.256 120.427 119.070 0.167 0.000 3.010 478 H HA -0.184 4.372 4.556 -0.000 0.000 0.272 478 H C 1.134 176.506 175.328 0.074 0.000 1.151 478 H CA 0.584 56.750 56.048 0.198 0.000 1.159 478 H CB -1.421 28.396 29.762 0.093 0.000 1.295 478 H HN 0.665 nan 8.280 nan 0.000 0.344 479 L N 0.905 122.194 121.223 0.110 0.000 2.376 479 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 479 L C 2.691 179.427 176.870 -0.224 0.000 1.133 479 L CA 1.241 56.037 54.840 -0.073 0.000 0.816 479 L CB -0.379 41.631 42.059 -0.081 0.000 0.933 479 L HN 0.467 nan 8.230 nan 0.000 0.449 480 H N 0.013 118.932 119.070 -0.253 0.000 2.567 480 H HA -0.071 4.485 4.556 -0.000 0.000 0.276 480 H C 1.508 176.745 175.328 -0.150 0.000 1.016 480 H CA 0.505 56.404 56.048 -0.248 0.000 1.186 480 H CB -0.335 29.263 29.762 -0.274 0.000 1.351 480 H HN 0.346 nan 8.280 nan 0.000 0.605 481 R N 0.540 120.728 120.500 -0.521 0.000 2.317 481 R HA 0.165 4.505 4.340 -0.000 0.000 0.208 481 R C 0.545 176.673 176.300 -0.285 0.000 0.914 481 R CA -0.082 55.768 56.100 -0.416 0.000 1.060 481 R CB 0.491 30.580 30.300 -0.352 0.000 1.015 481 R HN 0.086 nan 8.270 nan 0.000 0.498 482 S N 0.436 115.901 115.700 -0.392 0.000 2.641 482 S HA 0.120 4.590 4.470 -0.000 0.000 0.251 482 S C 0.333 174.798 174.600 -0.224 0.000 1.332 482 S CA 0.188 58.177 58.200 -0.352 0.000 0.968 482 S CB 0.885 63.772 63.200 -0.523 0.000 0.987 482 S HN 0.129 nan 8.310 nan 0.000 0.587 483 T N 0.232 114.727 114.554 -0.099 0.000 2.971 483 T HA 0.466 4.816 4.350 -0.000 0.000 0.304 483 T C 0.666 175.404 174.700 0.063 0.000 1.038 483 T CA -0.664 61.434 62.100 -0.003 0.000 1.007 483 T CB 1.651 70.498 68.868 -0.036 0.000 1.055 483 T HN 0.687 nan 8.240 nan 0.000 0.451 484 T N -0.060 114.558 114.554 0.106 0.000 2.964 484 T HA 0.356 4.706 4.350 -0.000 0.000 0.249 484 T C 0.690 175.380 174.700 -0.017 0.000 1.000 484 T CA -0.191 61.965 62.100 0.093 0.000 0.992 484 T CB -0.170 68.816 68.868 0.196 0.000 1.087 484 T HN 0.414 nan 8.240 nan 0.000 0.489 485 L N 2.116 123.302 121.223 -0.061 0.000 2.453 485 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 485 L C 1.534 178.308 176.870 -0.161 0.000 1.179 485 L CA 0.381 55.140 54.840 -0.136 0.000 0.813 485 L CB -0.234 41.708 42.059 -0.196 0.000 1.110 485 L HN 0.669 nan 8.230 nan 0.000 0.466 486 G N 0.200 108.869 108.800 -0.218 0.000 2.749 486 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.242 486 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.242 486 G C 0.011 174.853 174.900 -0.097 0.000 1.364 486 G CA 0.270 45.222 45.100 -0.247 0.000 0.888 486 G HN 0.539 nan 8.290 nan 0.000 0.566 487 Y N 0.264 120.506 120.300 -0.097 0.000 2.242 487 Y HA 0.020 4.570 4.550 -0.000 0.000 0.291 487 Y C 2.801 178.650 175.900 -0.085 0.000 1.137 487 Y CA 1.755 59.800 58.100 -0.092 0.000 1.181 487 Y CB -0.732 37.702 38.460 -0.044 0.000 0.989 487 Y HN 0.810 nan 8.280 nan 0.000 0.527 488 E N -0.002 120.247 120.200 0.081 0.000 2.023 488 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 488 E C 2.561 179.160 176.600 -0.002 0.000 1.003 488 E CA 1.386 57.803 56.400 0.029 0.000 0.809 488 E CB -0.556 29.143 29.700 -0.002 0.000 0.755 488 E HN 0.436 nan 8.360 nan 0.000 0.449 489 G N 0.939 109.719 108.800 -0.032 0.000 2.586 489 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.218 489 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.218 489 G C 1.698 176.553 174.900 -0.075 0.000 1.216 489 G CA 1.911 46.983 45.100 -0.046 0.000 0.786 489 G HN 0.500 nan 8.290 nan 0.000 0.583 490 A N 0.632 123.344 122.820 -0.181 0.000 1.894 490 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 490 A C 2.523 180.088 177.584 -0.032 0.000 1.237 490 A CA 2.792 54.614 52.037 -0.358 0.000 0.660 490 A CB -0.626 18.111 19.000 -0.438 0.000 0.835 490 A HN 0.450 nan 8.150 nan 0.000 0.461 491 M N -1.537 118.068 119.600 0.008 0.000 2.082 491 M HA -0.309 4.171 4.480 -0.000 0.000 0.258 491 M C 2.562 178.892 176.300 0.050 0.000 1.071 491 M CA 2.337 57.666 55.300 0.049 0.000 1.103 491 M CB -0.687 31.931 32.600 0.030 0.000 1.307 491 M HN 0.548 nan 8.290 nan 0.000 0.409 492 Q N 0.341 120.156 119.800 0.024 0.000 1.998 492 Q HA -0.236 4.104 4.340 -0.000 0.000 0.209 492 Q C 2.024 178.047 176.000 0.038 0.000 1.002 492 Q CA 2.093 57.906 55.803 0.017 0.000 0.858 492 Q CB -0.466 28.272 28.738 -0.001 0.000 0.932 492 Q HN 0.541 nan 8.270 nan 0.000 0.416 493 I N 0.619 121.230 120.570 0.069 0.000 2.151 493 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 493 I C 2.474 178.651 176.117 0.101 0.000 1.080 493 I CA 1.088 62.448 61.300 0.099 0.000 1.339 493 I CB -0.359 37.747 38.000 0.176 0.000 1.039 493 I HN 0.295 nan 8.210 nan 0.000 0.409 494 L N 0.112 121.446 121.223 0.186 0.000 2.043 494 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 494 L C 2.545 179.437 176.870 0.036 0.000 1.075 494 L CA 1.920 56.830 54.840 0.117 0.000 0.752 494 L CB -0.357 41.807 42.059 0.176 0.000 0.891 494 L HN 0.286 nan 8.230 nan 0.000 0.432 495 T N -1.296 113.277 114.554 0.032 0.000 2.732 495 T HA -0.160 4.190 4.350 -0.000 0.000 0.261 495 T C 1.727 176.409 174.700 -0.031 0.000 1.040 495 T CA 1.788 63.888 62.100 -0.000 0.000 1.145 495 T CB -0.397 68.471 68.868 -0.000 0.000 0.866 495 T HN 0.396 nan 8.240 nan 0.000 0.427 496 T N 2.722 117.258 114.554 -0.031 0.000 2.721 496 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 496 T C 1.778 176.416 174.700 -0.103 0.000 1.038 496 T CA 0.973 63.038 62.100 -0.060 0.000 1.145 496 T CB -0.492 68.349 68.868 -0.046 0.000 0.858 496 T HN 0.205 nan 8.240 nan 0.000 0.459 497 L N 0.095 121.259 121.223 -0.098 0.000 1.932 497 L HA -0.012 4.328 4.340 -0.000 0.000 0.213 497 L C 2.612 179.410 176.870 -0.120 0.000 1.108 497 L CA 0.861 55.619 54.840 -0.136 0.000 0.778 497 L CB -1.142 40.844 42.059 -0.122 0.000 0.891 497 L HN 0.053 nan 8.230 nan 0.000 0.436 498 V N 0.605 120.490 119.914 -0.048 0.000 2.311 498 V HA -0.450 3.670 4.120 -0.000 0.000 0.259 498 V C 2.018 178.046 176.094 -0.110 0.000 1.086 498 V CA 2.835 65.118 62.300 -0.029 0.000 1.078 498 V CB -0.658 31.178 31.823 0.022 0.000 0.668 498 V HN 0.564 nan 8.190 nan 0.000 0.452 499 N N -0.976 117.657 118.700 -0.111 0.000 2.171 499 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 499 N C 1.965 177.384 175.510 -0.152 0.000 1.021 499 N CA 1.254 54.226 53.050 -0.130 0.000 0.854 499 N CB -0.168 38.263 38.487 -0.094 0.000 0.994 499 N HN 0.485 nan 8.380 nan 0.000 0.426 500 S N 1.005 116.590 115.700 -0.191 0.000 2.383 500 S HA -0.086 4.384 4.470 -0.000 0.000 0.229 500 S C 1.913 176.372 174.600 -0.235 0.000 1.030 500 S CA 0.761 58.810 58.200 -0.251 0.000 1.002 500 S CB -0.151 62.791 63.200 -0.429 0.000 0.829 500 S HN 0.248 nan 8.310 nan 0.000 0.467 501 I N 1.182 121.604 120.570 -0.246 0.000 2.072 501 I HA -0.215 3.955 4.170 -0.000 0.000 0.235 501 I C 2.139 178.218 176.117 -0.064 0.000 1.058 501 I CA 1.353 62.656 61.300 0.005 0.000 1.320 501 I CB -0.530 37.487 38.000 0.028 0.000 1.047 501 I HN 0.250 nan 8.210 nan 0.000 0.397 502 L N 0.383 121.458 121.223 -0.247 0.000 2.081 502 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 502 L C 2.530 179.279 176.870 -0.201 0.000 1.080 502 L CA 1.326 55.947 54.840 -0.366 0.000 0.754 502 L CB -0.571 41.218 42.059 -0.451 0.000 0.893 502 L HN 0.299 nan 8.230 nan 0.000 0.433 503 E N 0.441 120.566 120.200 -0.126 0.000 2.085 503 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 503 E C 2.203 178.790 176.600 -0.022 0.000 0.994 503 E CA 1.501 57.860 56.400 -0.068 0.000 0.801 503 E CB -0.005 29.664 29.700 -0.052 0.000 0.743 503 E HN 0.197 nan 8.360 nan 0.000 0.453 504 R N -0.354 120.160 120.500 0.024 0.000 2.119 504 R HA -0.006 4.334 4.340 -0.000 0.000 0.222 504 R C 2.147 178.449 176.300 0.003 0.000 1.088 504 R CA 0.926 57.059 56.100 0.055 0.000 0.984 504 R CB -0.599 29.802 30.300 0.167 0.000 0.884 504 R HN 0.322 nan 8.270 nan 0.000 0.447 505 L N 0.730 121.929 121.223 -0.039 0.000 2.083 505 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 505 L C 1.113 177.963 176.870 -0.032 0.000 1.083 505 L CA 1.969 56.768 54.840 -0.068 0.000 0.752 505 L CB -0.655 41.305 42.059 -0.165 0.000 0.899 505 L HN 0.167 nan 8.230 nan 0.000 0.433 506 D N -0.253 120.133 120.400 -0.022 0.000 2.078 506 D HA -0.257 4.383 4.640 -0.000 0.000 0.193 506 D C 2.094 178.455 176.300 0.102 0.000 0.990 506 D CA 1.614 55.673 54.000 0.098 0.000 0.827 506 D CB -0.109 40.721 40.800 0.050 0.000 0.975 506 D HN 0.565 nan 8.370 nan 0.000 0.451 507 E N 0.512 120.734 120.200 0.036 0.000 2.187 507 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 507 E C 1.410 177.988 176.600 -0.036 0.000 1.004 507 E CA 1.185 57.586 56.400 0.000 0.000 0.813 507 E CB 0.018 29.720 29.700 0.003 0.000 0.736 507 E HN 0.375 nan 8.360 nan 0.000 0.468 508 E N -0.694 119.484 120.200 -0.036 0.000 2.435 508 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 508 E C 0.832 177.380 176.600 -0.086 0.000 1.029 508 E CA 1.167 57.532 56.400 -0.058 0.000 0.865 508 E CB 0.421 30.087 29.700 -0.056 0.000 0.833 508 E HN 0.321 nan 8.360 nan 0.000 0.510 509 T N -2.173 112.324 114.554 -0.097 0.000 3.296 509 T HA 0.264 4.614 4.350 -0.000 0.000 0.285 509 T C 0.964 175.419 174.700 -0.408 0.000 1.014 509 T CA -0.563 61.437 62.100 -0.167 0.000 0.920 509 T CB 0.332 69.145 68.868 -0.092 0.000 1.143 509 T HN -0.077 nan 8.240 nan 0.000 0.522 510 R N 0.999 121.243 120.500 -0.427 0.000 2.312 510 R HA 0.319 4.659 4.340 -0.000 0.000 0.205 510 R C 1.178 177.292 176.300 -0.310 0.000 0.904 510 R CA -0.018 55.713 56.100 -0.615 0.000 1.052 510 R CB -0.276 29.815 30.300 -0.348 0.000 1.014 510 R HN 0.438 nan 8.270 nan 0.000 0.503 511 G N 1.792 110.476 108.800 -0.193 0.000 2.298 511 G HA2 0.075 4.035 3.960 -0.000 0.000 0.263 511 G HA3 0.075 4.035 3.960 -0.000 0.000 0.263 511 G C -0.220 174.632 174.900 -0.080 0.000 1.229 511 G CA -0.373 44.666 45.100 -0.103 0.000 0.976 511 G HN 0.176 nan 8.290 nan 0.000 0.459 512 M N 2.184 121.751 119.600 -0.056 0.000 2.251 512 M HA 0.072 4.552 4.480 -0.000 0.000 0.343 512 M C 1.072 177.373 176.300 0.001 0.000 1.245 512 M CA 0.469 55.754 55.300 -0.026 0.000 1.061 512 M CB 0.151 32.741 32.600 -0.016 0.000 1.723 512 M HN 0.792 nan 8.290 nan 0.000 0.449 513 Q N 2.649 122.462 119.800 0.022 0.000 2.426 513 Q HA -0.282 4.058 4.340 -0.000 0.000 0.359 513 Q C -0.731 175.297 176.000 0.046 0.000 1.381 513 Q CA 0.738 56.565 55.803 0.040 0.000 1.060 513 Q CB -0.979 27.774 28.738 0.024 0.000 1.253 513 Q HN 0.921 nan 8.270 nan 0.000 0.363 514 A N -0.378 122.489 122.820 0.078 0.000 1.838 514 A HA 0.091 4.411 4.320 -0.000 0.000 0.193 514 A C 0.956 178.647 177.584 0.179 0.000 1.607 514 A CA 0.667 52.756 52.037 0.087 0.000 1.618 514 A CB 0.031 19.053 19.000 0.038 0.000 1.539 514 A HN 0.788 nan 8.150 nan 0.000 0.618 515 T N -1.463 113.156 114.554 0.108 0.000 3.087 515 T HA 0.129 4.479 4.350 -0.000 0.000 0.283 515 T C 0.675 175.277 174.700 -0.162 0.000 0.956 515 T CA 0.897 63.010 62.100 0.021 0.000 0.894 515 T CB 0.056 68.889 68.868 -0.058 0.000 1.160 515 T HN 0.442 nan 8.240 nan 0.000 0.532 516 D N 1.682 122.052 120.400 -0.050 0.000 2.371 516 D HA -0.119 4.521 4.640 -0.000 0.000 0.234 516 D C 1.378 177.697 176.300 0.031 0.000 1.049 516 D CA 0.118 54.071 54.000 -0.078 0.000 0.907 516 D CB -0.506 40.255 40.800 -0.065 0.000 0.891 516 D HN 0.719 nan 8.370 nan 0.000 0.531 517 Y N -0.077 120.244 120.300 0.036 0.000 2.420 517 Y HA 0.167 4.716 4.550 -0.000 0.000 0.292 517 Y C 1.411 177.352 175.900 0.069 0.000 1.119 517 Y CA 0.486 58.614 58.100 0.047 0.000 1.229 517 Y CB -0.764 37.713 38.460 0.029 0.000 1.026 517 Y HN -0.114 nan 8.280 nan 0.000 0.554 518 N N 0.224 118.571 118.700 -0.588 0.000 2.295 518 N HA -0.060 4.680 4.740 -0.000 0.000 0.221 518 N C -0.441 175.022 175.510 -0.078 0.000 1.129 518 N CA -0.044 52.804 53.050 -0.337 0.000 0.836 518 N CB -0.673 37.498 38.487 -0.527 0.000 1.040 518 N HN 0.527 nan 8.380 nan 0.000 0.494 519 H N 0.338 119.325 119.070 -0.138 0.000 2.553 519 H HA 0.121 4.677 4.556 -0.000 0.000 0.222 519 H C -0.719 174.587 175.328 -0.038 0.000 1.779 519 H CA -0.733 55.264 56.048 -0.084 0.000 1.241 519 H CB -0.049 29.672 29.762 -0.067 0.000 1.647 519 H HN 0.266 nan 8.280 nan 0.000 0.523 520 D N 1.461 121.840 120.400 -0.035 0.000 2.400 520 D HA -0.109 4.531 4.640 -0.000 0.000 0.238 520 D C 1.356 177.596 176.300 -0.100 0.000 1.157 520 D CA -0.132 53.849 54.000 -0.031 0.000 0.889 520 D CB 1.558 42.370 40.800 0.020 0.000 1.199 520 D HN 0.395 nan 8.370 nan 0.000 0.436 521 L N 1.938 123.127 121.223 -0.057 0.000 2.145 521 L HA 0.064 4.404 4.340 -0.000 0.000 0.201 521 L C 0.285 177.127 176.870 -0.047 0.000 1.075 521 L CA 1.146 55.944 54.840 -0.070 0.000 0.773 521 L CB 0.281 42.319 42.059 -0.035 0.000 0.936 521 L HN 0.168 nan 8.230 nan 0.000 0.451 522 V N 2.471 122.379 119.914 -0.010 0.000 2.383 522 V HA 0.433 4.553 4.120 -0.000 0.000 0.275 522 V C 0.276 176.403 176.094 0.055 0.000 1.036 522 V CA -0.440 61.869 62.300 0.015 0.000 0.889 522 V CB 0.978 32.815 31.823 0.023 0.000 0.985 522 V HN 0.323 nan 8.190 nan 0.000 0.459 523 R N 0.000 120.547 120.500 0.079 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.224 56.100 0.207 0.000 0.921 523 R CB 0.000 30.346 30.300 0.077 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535