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_L 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 0.000 174.624 174.600 0.040 0.000 1.055 2 S CA 0.000 58.231 58.200 0.051 0.000 1.107 2 S CB 0.000 63.209 63.200 0.016 0.000 0.593 3 Q N 0.897 120.710 119.800 0.022 0.000 2.365 3 Q HA 0.551 4.891 4.340 -0.000 0.000 0.269 3 Q C -1.447 174.551 176.000 -0.002 0.000 1.061 3 Q CA -0.702 55.103 55.803 0.004 0.000 0.816 3 Q CB 2.038 30.777 28.738 0.001 0.000 1.325 3 Q HN 0.490 nan 8.270 nan 0.000 0.446 4 Q N 1.261 121.055 119.800 -0.010 0.000 2.431 4 Q HA 0.170 4.510 4.340 -0.000 0.000 0.249 4 Q C 0.828 176.822 176.000 -0.010 0.000 1.025 4 Q CA -0.129 55.669 55.803 -0.009 0.000 0.835 4 Q CB 1.479 30.210 28.738 -0.012 0.000 1.207 4 Q HN 0.564 nan 8.270 nan 0.000 0.490 5 V N 2.823 122.733 119.914 -0.007 0.000 2.495 5 V HA -0.368 3.752 4.120 -0.000 0.000 0.260 5 V C 1.265 177.354 176.094 -0.008 0.000 1.097 5 V CA 2.815 65.112 62.300 -0.007 0.000 1.105 5 V CB -0.048 31.773 31.823 -0.004 0.000 0.678 5 V HN 0.907 nan 8.190 nan 0.000 0.469 6 D N -1.189 119.206 120.400 -0.009 0.000 2.162 6 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 6 D C 1.355 177.648 176.300 -0.013 0.000 0.967 6 D CA 0.693 54.688 54.000 -0.009 0.000 0.840 6 D CB -0.135 40.661 40.800 -0.008 0.000 0.972 6 D HN 0.354 nan 8.370 nan 0.000 0.482 7 K N 0.975 121.365 120.400 -0.017 0.000 2.842 7 K HA 0.321 4.641 4.320 -0.000 0.000 0.176 7 K C -0.605 175.975 176.600 -0.033 0.000 1.080 7 K CA -0.591 55.681 56.287 -0.023 0.000 0.954 7 K CB 0.320 32.806 32.500 -0.024 0.000 1.203 7 K HN 0.135 nan 8.250 nan 0.000 0.611 8 I N 3.025 123.576 120.570 -0.032 0.000 2.618 8 I HA -0.036 4.134 4.170 -0.000 0.000 0.284 8 I C 0.586 176.666 176.117 -0.063 0.000 1.146 8 I CA 0.505 61.781 61.300 -0.042 0.000 1.425 8 I CB 0.363 38.343 38.000 -0.033 0.000 1.383 8 I HN 0.026 nan 8.210 nan 0.000 0.562 9 K N 6.053 126.400 120.400 -0.088 0.000 2.206 9 K HA 0.724 5.044 4.320 -0.000 0.000 0.264 9 K C -0.306 176.195 176.600 -0.166 0.000 0.967 9 K CA -0.664 55.541 56.287 -0.136 0.000 0.844 9 K CB 1.918 34.316 32.500 -0.170 0.000 1.099 9 K HN 0.669 nan 8.250 nan 0.000 0.441 10 A N 1.251 123.974 122.820 -0.162 0.000 2.336 10 A HA 0.221 4.540 4.320 -0.000 0.000 0.291 10 A C 1.569 178.985 177.584 -0.280 0.000 1.266 10 A CA -0.092 51.846 52.037 -0.165 0.000 0.891 10 A CB 0.698 19.651 19.000 -0.077 0.000 1.366 10 A HN 0.776 nan 8.150 nan 0.000 0.507 11 S N -1.833 113.711 115.700 -0.260 0.000 2.429 11 S HA -0.254 4.216 4.470 -0.000 0.000 0.251 11 S C 0.528 174.928 174.600 -0.334 0.000 1.104 11 S CA 2.439 60.421 58.200 -0.363 0.000 1.130 11 S CB -0.547 62.654 63.200 0.002 0.000 1.000 11 S HN 1.004 nan 8.310 nan 0.000 0.449 12 Y N 1.984 122.158 120.300 -0.210 0.000 2.376 12 Y HA 0.593 5.143 4.550 -0.000 0.000 0.340 12 Y C -2.470 173.357 175.900 -0.123 0.000 0.965 12 Y CA -2.237 55.787 58.100 -0.126 0.000 1.078 12 Y CB 2.091 40.527 38.460 -0.039 0.000 1.193 12 Y HN -0.019 nan 8.280 nan 0.000 0.452 13 P HA 0.048 nan 4.420 nan 0.000 0.254 13 P C 0.840 177.899 177.300 -0.403 0.000 1.620 13 P CA 0.079 62.648 63.100 -0.884 0.000 1.050 13 P CB 0.397 31.512 31.700 -0.976 0.000 1.539 14 L N 0.531 121.493 121.223 -0.434 0.000 1.971 14 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 14 L C 1.617 178.286 176.870 -0.335 0.000 1.072 14 L CA 2.177 56.749 54.840 -0.446 0.000 0.758 14 L CB -1.345 40.260 42.059 -0.757 0.000 0.889 14 L HN -0.143 nan 8.230 nan 0.000 0.433 15 F N -0.314 119.492 119.950 -0.240 0.000 2.788 15 F HA -0.013 4.514 4.527 -0.000 0.000 0.300 15 F C 1.721 177.540 175.800 0.031 0.000 1.229 15 F CA 0.349 58.236 58.000 -0.188 0.000 1.446 15 F CB -1.035 37.852 39.000 -0.188 0.000 1.118 15 F HN 0.119 nan 8.300 nan 0.000 0.579 16 L N -1.332 119.978 121.223 0.145 0.000 2.616 16 L HA 0.131 4.471 4.340 -0.000 0.000 0.229 16 L C 0.200 177.146 176.870 0.126 0.000 1.110 16 L CA -0.116 54.797 54.840 0.123 0.000 0.884 16 L CB -0.228 41.856 42.059 0.042 0.000 1.115 16 L HN -0.176 nan 8.230 nan 0.000 0.481 17 D N 0.547 121.050 120.400 0.172 0.000 2.455 17 D HA -0.049 4.591 4.640 -0.000 0.000 0.241 17 D C 1.031 177.423 176.300 0.153 0.000 1.138 17 D CA 0.305 54.401 54.000 0.160 0.000 0.877 17 D CB 1.089 42.032 40.800 0.238 0.000 1.187 17 D HN -0.077 nan 8.370 nan 0.000 0.451 18 Q N 2.134 121.983 119.800 0.081 0.000 2.082 18 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 18 Q C 1.182 177.208 176.000 0.043 0.000 1.002 18 Q CA 2.211 58.048 55.803 0.056 0.000 0.868 18 Q CB -0.078 28.676 28.738 0.028 0.000 0.931 18 Q HN 0.638 nan 8.270 nan 0.000 0.414 19 D N -1.295 119.102 120.400 -0.006 0.000 2.104 19 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 19 D C 1.744 177.994 176.300 -0.084 0.000 0.994 19 D CA 1.514 55.461 54.000 -0.088 0.000 0.830 19 D CB -1.014 39.668 40.800 -0.196 0.000 0.959 19 D HN 0.382 nan 8.370 nan 0.000 0.452 20 Y N 1.479 121.831 120.300 0.087 0.000 2.274 20 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 20 Y C 2.460 178.404 175.900 0.074 0.000 1.145 20 Y CA 0.782 58.950 58.100 0.114 0.000 1.203 20 Y CB -0.108 38.498 38.460 0.244 0.000 0.984 20 Y HN -0.112 nan 8.280 nan 0.000 0.533 21 K N 0.144 120.668 120.400 0.206 0.000 1.985 21 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 21 K C 1.479 178.128 176.600 0.082 0.000 1.047 21 K CA 1.650 58.016 56.287 0.131 0.000 0.932 21 K CB -0.735 31.826 32.500 0.102 0.000 0.716 21 K HN 0.337 nan 8.250 nan 0.000 0.439 22 D N 0.736 121.169 120.400 0.055 0.000 2.309 22 D HA -0.138 4.502 4.640 -0.000 0.000 0.212 22 D C 1.789 178.107 176.300 0.029 0.000 0.968 22 D CA 0.529 54.547 54.000 0.030 0.000 0.882 22 D CB 0.003 40.811 40.800 0.013 0.000 0.918 22 D HN 0.116 nan 8.370 nan 0.000 0.503 23 M N 0.487 120.111 119.600 0.040 0.000 2.073 23 M HA -0.082 4.398 4.480 -0.000 0.000 0.259 23 M C 2.129 178.464 176.300 0.059 0.000 1.079 23 M CA 1.080 56.405 55.300 0.041 0.000 1.131 23 M CB -0.486 32.143 32.600 0.048 0.000 1.316 23 M HN -0.031 nan 8.290 nan 0.000 0.415 24 L N 0.240 121.504 121.223 0.068 0.000 2.131 24 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 24 L C 2.673 179.568 176.870 0.042 0.000 1.092 24 L CA 1.038 55.907 54.840 0.048 0.000 0.759 24 L CB -1.143 40.935 42.059 0.031 0.000 0.903 24 L HN 0.364 nan 8.230 nan 0.000 0.435 25 A N 0.374 123.218 122.820 0.039 0.000 1.883 25 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 25 A C 2.384 179.975 177.584 0.010 0.000 1.186 25 A CA 1.699 53.750 52.037 0.023 0.000 0.624 25 A CB -0.321 18.691 19.000 0.021 0.000 0.822 25 A HN 0.321 nan 8.150 nan 0.000 0.444 26 K N -0.426 119.984 120.400 0.017 0.000 2.002 26 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 26 K C 2.241 178.848 176.600 0.011 0.000 1.048 26 K CA 1.562 57.849 56.287 0.000 0.000 0.930 26 K CB -0.265 32.252 32.500 0.029 0.000 0.714 26 K HN 0.517 nan 8.250 nan 0.000 0.438 27 K N 1.581 122.042 120.400 0.102 0.000 2.127 27 K HA -0.255 4.065 4.320 -0.000 0.000 0.208 27 K C 2.242 178.920 176.600 0.131 0.000 1.047 27 K CA 1.528 57.939 56.287 0.207 0.000 0.927 27 K CB -0.051 32.543 32.500 0.156 0.000 0.716 27 K HN 0.054 nan 8.250 nan 0.000 0.450 28 R N 0.629 121.158 120.500 0.049 0.000 2.078 28 R HA -0.141 4.199 4.340 -0.000 0.000 0.224 28 R C 1.742 178.021 176.300 -0.034 0.000 1.149 28 R CA 2.150 58.263 56.100 0.021 0.000 0.916 28 R CB -0.443 29.866 30.300 0.015 0.000 0.821 28 R HN 0.249 nan 8.270 nan 0.000 0.434 29 D N -0.422 119.941 120.400 -0.063 0.000 2.149 29 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 29 D C 1.738 177.911 176.300 -0.212 0.000 1.001 29 D CA 1.760 55.695 54.000 -0.107 0.000 0.849 29 D CB -0.589 40.154 40.800 -0.095 0.000 0.939 29 D HN 0.614 nan 8.370 nan 0.000 0.449 30 G N -0.404 108.184 108.800 -0.353 0.000 2.404 30 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 30 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 30 G C 1.036 175.317 174.900 -1.031 0.000 1.174 30 G CA 0.522 45.122 45.100 -0.834 0.000 0.780 30 G HN 0.306 nan 8.290 nan 0.000 0.537 31 F N -0.542 119.401 119.950 -0.012 0.000 2.817 31 F HA 0.387 4.914 4.527 -0.000 0.000 0.333 31 F C 2.054 177.846 175.800 -0.014 0.000 1.085 31 F CA -0.404 57.589 58.000 -0.013 0.000 1.170 31 F CB 0.491 39.485 39.000 -0.011 0.000 1.066 31 F HN 0.053 nan 8.300 nan 0.000 0.564 32 E N 1.138 121.404 120.200 0.111 0.000 2.208 32 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 32 E C 0.061 176.679 176.600 0.030 0.000 0.988 32 E CA 0.689 57.132 56.400 0.073 0.000 0.828 32 E CB -0.144 29.591 29.700 0.058 0.000 0.763 32 E HN 0.352 nan 8.360 nan 0.000 0.478 33 E N 1.184 121.379 120.200 -0.009 0.000 2.252 33 E HA -0.234 4.116 4.350 -0.000 0.000 0.218 33 E C -0.198 176.369 176.600 -0.055 0.000 1.253 33 E CA 0.346 56.717 56.400 -0.049 0.000 0.705 33 E CB -1.248 28.424 29.700 -0.048 0.000 1.172 33 E HN 0.150 nan 8.360 nan 0.000 0.369 34 K N 0.917 121.308 120.400 -0.016 0.000 2.185 34 K HA 0.214 4.534 4.320 -0.000 0.000 0.271 34 K C -0.421 176.198 176.600 0.032 0.000 1.013 34 K CA -0.478 55.837 56.287 0.046 0.000 0.943 34 K CB 0.544 33.084 32.500 0.066 0.000 0.998 34 K HN 0.027 nan 8.250 nan 0.000 0.468 35 Y N 3.456 123.759 120.300 0.006 0.000 2.620 35 Y HA 0.022 4.572 4.550 -0.000 0.000 0.330 35 Y C -1.686 174.219 175.900 0.007 0.000 1.186 35 Y CA -1.164 56.941 58.100 0.007 0.000 1.467 35 Y CB 0.079 38.548 38.460 0.015 0.000 1.262 35 Y HN 0.578 nan 8.280 nan 0.000 0.550 36 P HA -0.136 nan 4.420 nan 0.000 0.263 36 P C 0.340 177.698 177.300 0.097 0.000 1.175 36 P CA 0.239 63.384 63.100 0.076 0.000 0.761 36 P CB 0.706 32.437 31.700 0.051 0.000 0.794 37 Q N 3.692 123.533 119.800 0.068 0.000 2.028 37 Q HA -0.310 4.030 4.340 -0.000 0.000 0.213 37 Q C 1.202 177.243 176.000 0.069 0.000 1.017 37 Q CA 2.443 58.285 55.803 0.065 0.000 0.875 37 Q CB -0.997 27.769 28.738 0.046 0.000 0.962 37 Q HN 0.476 nan 8.270 nan 0.000 0.413 38 D N -0.633 119.801 120.400 0.056 0.000 2.311 38 D HA -0.227 4.413 4.640 -0.000 0.000 0.204 38 D C 1.562 177.898 176.300 0.060 0.000 1.000 38 D CA 1.588 55.618 54.000 0.051 0.000 0.910 38 D CB -0.063 40.760 40.800 0.038 0.000 0.900 38 D HN 0.198 nan 8.370 nan 0.000 0.463 39 K N 0.840 121.287 120.400 0.079 0.000 2.078 39 K HA 0.072 4.392 4.320 -0.000 0.000 0.203 39 K C 2.164 178.805 176.600 0.068 0.000 1.043 39 K CA 0.271 56.605 56.287 0.080 0.000 0.960 39 K CB -0.347 32.240 32.500 0.144 0.000 0.761 39 K HN 0.039 nan 8.250 nan 0.000 0.448 40 I N 1.360 121.977 120.570 0.079 0.000 2.194 40 I HA -0.333 3.837 4.170 -0.000 0.000 0.246 40 I C 1.217 177.415 176.117 0.135 0.000 1.093 40 I CA 1.878 63.226 61.300 0.080 0.000 1.355 40 I CB -0.399 37.646 38.000 0.074 0.000 1.046 40 I HN 0.246 nan 8.210 nan 0.000 0.413 41 D N 0.192 120.663 120.400 0.117 0.000 2.178 41 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 41 D C 2.046 178.439 176.300 0.154 0.000 0.980 41 D CA 0.983 55.064 54.000 0.135 0.000 0.842 41 D CB -0.073 40.773 40.800 0.075 0.000 0.948 41 D HN 0.409 nan 8.370 nan 0.000 0.472 42 E N 0.306 120.569 120.200 0.105 0.000 2.016 42 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 42 E C 2.043 178.712 176.600 0.116 0.000 0.985 42 E CA 0.812 57.259 56.400 0.079 0.000 0.802 42 E CB 0.099 29.818 29.700 0.033 0.000 0.762 42 E HN 0.014 nan 8.360 nan 0.000 0.448 43 V N 1.400 121.385 119.914 0.118 0.000 2.282 43 V HA -0.278 3.841 4.120 -0.000 0.000 0.249 43 V C 2.186 178.414 176.094 0.223 0.000 1.057 43 V CA 2.147 64.564 62.300 0.195 0.000 1.032 43 V CB -0.817 31.085 31.823 0.132 0.000 0.645 43 V HN 0.352 nan 8.190 nan 0.000 0.447 44 F N 0.869 120.847 119.950 0.047 0.000 2.011 44 F HA -0.276 4.251 4.527 -0.000 0.000 0.296 44 F C 2.680 178.403 175.800 -0.128 0.000 1.144 44 F CA 2.433 60.419 58.000 -0.022 0.000 1.185 44 F CB -0.732 38.298 39.000 0.050 0.000 0.961 44 F HN 0.036 nan 8.300 nan 0.000 0.485 45 Q N -0.285 119.465 119.800 -0.084 0.000 2.197 45 Q HA -0.312 4.028 4.340 -0.000 0.000 0.211 45 Q C 2.031 177.852 176.000 -0.298 0.000 0.993 45 Q CA 2.401 58.054 55.803 -0.250 0.000 0.883 45 Q CB -1.198 27.524 28.738 -0.028 0.000 0.916 45 Q HN 0.747 nan 8.270 nan 0.000 0.418 46 W N 1.255 122.366 121.300 -0.315 0.000 2.333 46 W HA -0.218 4.442 4.660 -0.000 0.000 0.316 46 W C 2.317 178.581 176.519 -0.425 0.000 1.215 46 W CA 3.105 60.297 57.345 -0.256 0.000 1.278 46 W CB -1.030 28.358 29.460 -0.121 0.000 1.154 46 W HN 0.276 nan 8.180 nan 0.000 0.486 47 T N -2.195 111.786 114.554 -0.956 0.000 2.897 47 T HA -0.234 4.116 4.350 -0.000 0.000 0.271 47 T C 1.554 175.532 174.700 -1.203 0.000 1.084 47 T CA 2.048 63.154 62.100 -1.656 0.000 1.123 47 T CB -1.294 66.725 68.868 -1.416 0.000 0.865 47 T HN 0.320 nan 8.240 nan 0.000 0.496 48 T N 0.308 114.152 114.554 -1.184 0.000 3.169 48 T HA 0.170 4.520 4.350 -0.000 0.000 0.250 48 T C 0.877 175.176 174.700 -0.668 0.000 1.111 48 T CA 0.179 61.458 62.100 -1.368 0.000 1.010 48 T CB -0.749 67.086 68.868 -1.721 0.000 0.984 48 T HN 0.679 nan 8.240 nan 0.000 0.537 49 T N -1.112 113.163 114.554 -0.466 0.000 2.881 49 T HA 0.478 4.828 4.350 -0.000 0.000 0.278 49 T C 1.010 175.637 174.700 -0.122 0.000 0.982 49 T CA -0.764 61.201 62.100 -0.225 0.000 0.989 49 T CB 1.797 70.595 68.868 -0.117 0.000 1.058 49 T HN 0.009 nan 8.240 nan 0.000 0.529 50 K N 0.214 120.578 120.400 -0.060 0.000 2.217 50 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 50 K C 2.045 178.638 176.600 -0.011 0.000 1.051 50 K CA 1.549 57.818 56.287 -0.031 0.000 0.952 50 K CB -0.420 32.068 32.500 -0.020 0.000 0.736 50 K HN 0.806 nan 8.250 nan 0.000 0.453 51 E N -0.994 119.215 120.200 0.016 0.000 2.047 51 E HA -0.221 4.128 4.350 -0.000 0.000 0.191 51 E C 1.679 178.292 176.600 0.021 0.000 0.987 51 E CA 0.974 57.410 56.400 0.060 0.000 0.799 51 E CB -0.297 29.496 29.700 0.156 0.000 0.752 51 E HN 0.450 nan 8.360 nan 0.000 0.449 52 Y N 1.701 121.863 120.300 -0.230 0.000 2.165 52 Y HA -0.292 4.258 4.550 -0.000 0.000 0.286 52 Y C 2.515 178.299 175.900 -0.193 0.000 1.155 52 Y CA 2.390 60.232 58.100 -0.429 0.000 1.164 52 Y CB -0.254 37.722 38.460 -0.806 0.000 0.978 52 Y HN 0.142 nan 8.280 nan 0.000 0.513 53 Q N 0.288 120.094 119.800 0.011 0.000 2.014 53 Q HA -0.296 4.044 4.340 -0.000 0.000 0.207 53 Q C 2.084 178.151 176.000 0.111 0.000 0.993 53 Q CA 2.502 58.358 55.803 0.087 0.000 0.850 53 Q CB -0.249 28.506 28.738 0.029 0.000 0.916 53 Q HN 0.621 nan 8.270 nan 0.000 0.417 54 E N 0.209 120.424 120.200 0.025 0.000 2.065 54 E HA -0.244 4.106 4.350 -0.000 0.000 0.201 54 E C 2.153 178.784 176.600 0.052 0.000 1.016 54 E CA 1.739 58.162 56.400 0.038 0.000 0.818 54 E CB -0.287 29.421 29.700 0.014 0.000 0.749 54 E HN 0.427 nan 8.360 nan 0.000 0.453 55 L N 1.026 122.226 121.223 -0.040 0.000 2.046 55 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 55 L C 2.494 179.289 176.870 -0.126 0.000 1.077 55 L CA 0.845 55.628 54.840 -0.094 0.000 0.747 55 L CB -0.637 41.311 42.059 -0.184 0.000 0.896 55 L HN 0.201 nan 8.230 nan 0.000 0.432 56 N N 0.732 119.324 118.700 -0.180 0.000 2.106 56 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 56 N C 1.692 177.227 175.510 0.041 0.000 1.029 56 N CA 1.557 54.529 53.050 -0.130 0.000 0.848 56 N CB -0.204 38.231 38.487 -0.088 0.000 1.007 56 N HN 0.141 nan 8.380 nan 0.000 0.423 57 F N 1.343 121.326 119.950 0.054 0.000 2.641 57 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 57 F C 2.070 177.919 175.800 0.082 0.000 1.146 57 F CA 0.626 58.708 58.000 0.136 0.000 1.464 57 F CB -0.025 39.026 39.000 0.086 0.000 1.101 57 F HN 0.181 nan 8.300 nan 0.000 0.585 58 Q N -0.536 119.360 119.800 0.159 0.000 2.403 58 Q HA 0.053 4.393 4.340 -0.000 0.000 0.203 58 Q C 0.642 176.673 176.000 0.051 0.000 0.932 58 Q CA -0.107 55.752 55.803 0.093 0.000 0.945 58 Q CB 0.188 28.961 28.738 0.060 0.000 1.045 58 Q HN 0.238 nan 8.270 nan 0.000 0.511 59 R N 0.775 121.299 120.500 0.040 0.000 2.640 59 R HA -0.055 4.285 4.340 -0.000 0.000 0.270 59 R C 0.578 176.896 176.300 0.029 0.000 1.024 59 R CA 0.722 56.829 56.100 0.011 0.000 1.085 59 R CB 0.476 30.765 30.300 -0.019 0.000 0.963 59 R HN 0.276 nan 8.270 nan 0.000 0.426 60 E N 1.134 121.341 120.200 0.012 0.000 2.520 60 E HA 0.060 4.410 4.350 -0.000 0.000 0.201 60 E C 1.185 177.791 176.600 0.010 0.000 0.894 60 E CA 0.438 56.849 56.400 0.017 0.000 1.161 60 E CB 0.261 29.970 29.700 0.014 0.000 1.137 60 E HN 0.660 nan 8.360 nan 0.000 0.510 61 A N 0.835 123.653 122.820 -0.004 0.000 2.044 61 A HA 0.157 4.477 4.320 -0.000 0.000 0.213 61 A C 0.857 178.428 177.584 -0.022 0.000 1.169 61 A CA -0.005 52.026 52.037 -0.010 0.000 0.724 61 A CB 0.113 19.103 19.000 -0.016 0.000 0.840 61 A HN 0.140 nan 8.150 nan 0.000 0.463 62 L N 0.748 121.948 121.223 -0.039 0.000 2.312 62 L HA 0.535 4.875 4.340 -0.000 0.000 0.281 62 L C -0.799 176.030 176.870 -0.069 0.000 1.070 62 L CA 0.583 55.383 54.840 -0.068 0.000 0.805 62 L CB 1.628 43.625 42.059 -0.103 0.000 1.174 62 L HN 0.047 nan 8.230 nan 0.000 0.434 63 T N 4.354 118.862 114.554 -0.076 0.000 2.840 63 T HA 0.533 4.883 4.350 -0.000 0.000 0.287 63 T C -0.943 173.683 174.700 -0.122 0.000 0.991 63 T CA -0.395 61.665 62.100 -0.066 0.000 0.964 63 T CB 1.396 70.272 68.868 0.013 0.000 0.954 63 T HN 0.311 nan 8.240 nan 0.000 0.438 64 V N 4.753 124.567 119.914 -0.166 0.000 2.384 64 V HA 0.401 4.521 4.120 -0.000 0.000 0.287 64 V C -0.249 175.786 176.094 -0.099 0.000 1.020 64 V CA -1.042 61.142 62.300 -0.194 0.000 0.850 64 V CB 1.024 32.624 31.823 -0.370 0.000 0.987 64 V HN 1.001 nan 8.190 nan 0.000 0.436 65 N N 3.747 122.382 118.700 -0.108 0.000 2.573 65 N HA -0.116 4.624 4.740 -0.000 0.000 0.280 65 N C -2.169 173.277 175.510 -0.107 0.000 1.187 65 N CA 0.409 53.395 53.050 -0.106 0.000 0.717 65 N CB -0.803 37.667 38.487 -0.027 0.000 0.899 65 N HN 0.496 nan 8.380 nan 0.000 0.546 66 P HA 0.244 nan 4.420 nan 0.000 0.280 66 P C -0.238 177.112 177.300 0.085 0.000 1.278 66 P CA -0.099 63.063 63.100 0.105 0.000 0.787 66 P CB 0.704 32.493 31.700 0.147 0.000 1.163 67 A N -0.592 122.422 122.820 0.323 0.000 2.709 67 A HA 0.341 4.661 4.320 -0.000 0.000 0.241 67 A C 0.137 177.883 177.584 0.270 0.000 0.879 67 A CA -0.327 51.869 52.037 0.266 0.000 1.120 67 A CB -0.161 18.994 19.000 0.260 0.000 1.226 67 A HN 0.589 nan 8.150 nan 0.000 0.468 68 K N -1.540 118.951 120.400 0.150 0.000 2.548 68 K HA 0.899 5.219 4.320 -0.000 0.000 0.282 68 K C -0.520 176.102 176.600 0.036 0.000 1.006 68 K CA -0.398 55.966 56.287 0.127 0.000 0.892 68 K CB 1.572 34.062 32.500 -0.016 0.000 1.499 68 K HN 0.565 nan 8.250 nan 0.000 0.433 69 A N 0.188 123.049 122.820 0.068 0.000 2.443 69 A HA 0.744 5.064 4.320 -0.000 0.000 0.278 69 A C -0.295 177.315 177.584 0.042 0.000 1.252 69 A CA -0.564 51.444 52.037 -0.048 0.000 0.816 69 A CB 0.520 19.402 19.000 -0.197 0.000 1.369 69 A HN 1.058 nan 8.150 nan 0.000 0.446 70 C N -1.639 117.672 119.300 0.017 0.000 2.403 70 C HA 0.523 4.983 4.460 -0.000 0.000 0.361 70 C C 1.541 176.551 174.990 0.034 0.000 1.274 70 C CA -0.305 58.725 59.018 0.020 0.000 2.433 70 C CB 0.036 27.787 27.740 0.019 0.000 2.323 70 C HN 0.953 nan 8.230 nan 0.000 0.614 71 Q N 1.756 121.546 119.800 -0.017 0.000 1.998 71 Q HA -0.147 4.193 4.340 -0.000 0.000 0.209 71 Q C -0.210 175.781 176.000 -0.015 0.000 1.002 71 Q CA 2.702 58.493 55.803 -0.021 0.000 0.858 71 Q CB -1.318 27.385 28.738 -0.058 0.000 0.932 71 Q HN 0.751 nan 8.270 nan 0.000 0.416 72 P HA -0.232 nan 4.420 nan 0.000 0.218 72 P C 1.473 178.545 177.300 -0.380 0.000 1.152 72 P CA 1.213 64.204 63.100 -0.182 0.000 0.857 72 P CB -0.151 31.483 31.700 -0.110 0.000 0.787 73 L N 0.121 121.138 121.223 -0.343 0.000 2.081 73 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 73 L C 2.469 179.480 176.870 0.235 0.000 1.080 73 L CA 2.501 57.214 54.840 -0.212 0.000 0.754 73 L CB -1.504 40.547 42.059 -0.014 0.000 0.893 73 L HN -0.016 nan 8.230 nan 0.000 0.433 74 G N -1.777 107.179 108.800 0.259 0.000 2.453 74 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.215 74 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.215 74 G C 1.563 176.698 174.900 0.391 0.000 1.147 74 G CA 0.488 45.900 45.100 0.520 0.000 0.802 74 G HN 0.592 nan 8.290 nan 0.000 0.535 75 A N 0.316 123.229 122.820 0.154 0.000 1.930 75 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 75 A C 2.548 180.166 177.584 0.055 0.000 1.175 75 A CA 1.565 53.630 52.037 0.046 0.000 0.627 75 A CB -0.558 18.439 19.000 -0.006 0.000 0.815 75 A HN 0.200 nan 8.150 nan 0.000 0.443 76 V N -0.195 119.766 119.914 0.078 0.000 2.216 76 V HA -0.253 3.866 4.120 -0.000 0.000 0.243 76 V C 2.442 178.647 176.094 0.184 0.000 1.044 76 V CA 2.084 64.458 62.300 0.124 0.000 0.995 76 V CB -0.849 31.060 31.823 0.143 0.000 0.633 76 V HN 0.599 nan 8.190 nan 0.000 0.446 77 L N 0.088 121.503 121.223 0.319 0.000 1.991 77 L HA -0.285 4.055 4.340 -0.000 0.000 0.221 77 L C 2.528 179.501 176.870 0.173 0.000 1.079 77 L CA 2.670 57.628 54.840 0.198 0.000 0.778 77 L CB -1.170 41.112 42.059 0.373 0.000 0.893 77 L HN 0.563 nan 8.230 nan 0.000 0.437 78 C N -0.650 118.723 119.300 0.121 0.000 2.388 78 C HA -0.250 4.210 4.460 -0.000 0.000 0.277 78 C C 3.020 178.053 174.990 0.072 0.000 1.210 78 C CA 1.389 60.272 59.018 -0.226 0.000 1.743 78 C CB -1.554 25.604 27.740 -0.971 0.000 2.047 78 C HN 0.741 nan 8.230 nan 0.000 0.458 79 A N -0.052 122.826 122.820 0.097 0.000 1.986 79 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 79 A C 2.117 179.871 177.584 0.284 0.000 1.171 79 A CA 1.991 54.154 52.037 0.210 0.000 0.640 79 A CB -0.778 18.272 19.000 0.084 0.000 0.811 79 A HN 0.741 nan 8.150 nan 0.000 0.451 80 L N -0.760 120.548 121.223 0.141 0.000 2.353 80 L HA -0.101 4.239 4.340 -0.000 0.000 0.220 80 L C 2.327 179.203 176.870 0.010 0.000 1.133 80 L CA 0.629 55.512 54.840 0.071 0.000 0.798 80 L CB -0.373 41.670 42.059 -0.026 0.000 0.922 80 L HN 0.494 nan 8.230 nan 0.000 0.445 81 G N -0.807 107.955 108.800 -0.062 0.000 3.155 81 G HA2 0.045 4.005 3.960 -0.000 0.000 0.213 81 G HA3 0.045 4.005 3.960 -0.000 0.000 0.213 81 G C -0.047 174.486 174.900 -0.612 0.000 1.196 81 G CA -0.180 44.698 45.100 -0.370 0.000 0.846 81 G HN 0.103 nan 8.290 nan 0.000 0.516 82 F N -0.466 119.477 119.950 -0.012 0.000 2.540 82 F HA 0.360 4.887 4.527 -0.000 0.000 0.317 82 F C 0.377 176.173 175.800 -0.006 0.000 1.104 82 F CA -1.685 56.307 58.000 -0.013 0.000 0.913 82 F CB 1.560 40.552 39.000 -0.012 0.000 1.170 82 F HN 0.007 nan 8.300 nan 0.000 0.450 83 E N 3.649 123.926 120.200 0.129 0.000 2.829 83 E HA -0.130 4.220 4.350 -0.000 0.000 0.264 83 E C 0.022 176.635 176.600 0.022 0.000 0.922 83 E CA 0.356 56.786 56.400 0.049 0.000 0.960 83 E CB 0.263 29.966 29.700 0.005 0.000 0.918 83 E HN 0.626 nan 8.360 nan 0.000 0.497 84 K N 2.196 122.561 120.400 -0.059 0.000 3.264 84 K HA -0.211 4.108 4.320 -0.000 0.000 0.267 84 K C -0.760 175.762 176.600 -0.130 0.000 0.886 84 K CA 0.974 57.025 56.287 -0.394 0.000 0.665 84 K CB -1.571 30.640 32.500 -0.482 0.000 1.447 84 K HN 0.467 nan 8.250 nan 0.000 0.464 85 T N 0.943 115.605 114.554 0.180 0.000 2.829 85 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 85 T C -0.206 174.704 174.700 0.350 0.000 0.990 85 T CA -0.718 61.505 62.100 0.204 0.000 1.028 85 T CB 1.334 70.318 68.868 0.193 0.000 0.951 85 T HN 0.176 nan 8.240 nan 0.000 0.460 86 M N 4.766 124.544 119.600 0.298 0.000 2.125 86 M HA 0.462 4.942 4.480 -0.000 0.000 0.321 86 M C -2.850 173.581 176.300 0.219 0.000 0.983 86 M CA -2.706 52.770 55.300 0.293 0.000 0.934 86 M CB 1.302 34.115 32.600 0.355 0.000 1.542 86 M HN 0.114 nan 8.290 nan 0.000 0.424 87 P HA 0.089 nan 4.420 nan 0.000 0.271 87 P C -2.006 175.428 177.300 0.224 0.000 1.226 87 P CA 0.339 63.539 63.100 0.166 0.000 0.765 87 P CB 0.008 31.790 31.700 0.137 0.000 0.835 88 Y N 4.412 124.762 120.300 0.082 0.000 2.326 88 Y HA 0.416 4.966 4.550 -0.000 0.000 0.331 88 Y C -1.050 174.910 175.900 0.100 0.000 0.962 88 Y CA -0.958 57.202 58.100 0.101 0.000 1.167 88 Y CB 1.226 39.743 38.460 0.094 0.000 1.148 88 Y HN 0.035 nan 8.280 nan 0.000 0.463 89 V N 6.367 126.330 119.914 0.081 0.000 2.294 89 V HA 0.118 4.238 4.120 -0.000 0.000 0.272 89 V C -0.321 175.821 176.094 0.080 0.000 1.027 89 V CA -0.765 61.617 62.300 0.136 0.000 0.823 89 V CB 0.169 32.102 31.823 0.183 0.000 1.030 89 V HN 0.755 nan 8.190 nan 0.000 0.457 90 H N 4.161 123.306 119.070 0.125 0.000 3.232 90 H HA 0.561 5.117 4.556 -0.000 0.000 0.254 90 H C 0.430 175.781 175.328 0.038 0.000 1.213 90 H CA 1.029 57.146 56.048 0.114 0.000 1.503 90 H CB -0.061 29.800 29.762 0.165 0.000 1.563 90 H HN 0.902 nan 8.280 nan 0.000 0.490 91 G N 1.917 110.588 108.800 -0.215 0.000 2.356 91 G HA2 0.174 4.134 3.960 -0.000 0.000 0.281 91 G HA3 0.174 4.134 3.960 -0.000 0.000 0.281 91 G C -0.944 173.887 174.900 -0.115 0.000 1.246 91 G CA -0.432 44.544 45.100 -0.207 0.000 0.889 91 G HN 0.666 nan 8.290 nan 0.000 0.486 92 S N -0.091 115.564 115.700 -0.075 0.000 2.572 92 S HA 0.251 4.721 4.470 -0.000 0.000 0.279 92 S C 1.438 176.012 174.600 -0.043 0.000 1.341 92 S CA 0.702 58.870 58.200 -0.052 0.000 1.043 92 S CB 1.466 64.639 63.200 -0.045 0.000 0.887 92 S HN 1.034 nan 8.310 nan 0.000 0.516 93 Q N 2.448 122.227 119.800 -0.035 0.000 2.172 93 Q HA 0.013 4.353 4.340 -0.000 0.000 0.200 93 Q C 1.927 177.906 176.000 -0.035 0.000 0.964 93 Q CA 1.215 56.999 55.803 -0.030 0.000 0.855 93 Q CB -1.062 27.663 28.738 -0.021 0.000 0.918 93 Q HN 0.860 nan 8.270 nan 0.000 0.444 94 G N 1.238 110.021 108.800 -0.030 0.000 2.507 94 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.221 94 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.221 94 G C 1.372 176.256 174.900 -0.026 0.000 1.119 94 G CA 1.095 46.191 45.100 -0.006 0.000 0.751 94 G HN 0.501 nan 8.290 nan 0.000 0.574 95 C N -0.049 119.163 119.300 -0.147 0.000 2.442 95 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 95 C C 2.982 177.537 174.990 -0.726 0.000 1.237 95 C CA 0.749 59.492 59.018 -0.458 0.000 1.722 95 C CB -1.141 26.397 27.740 -0.338 0.000 2.056 95 C HN 0.311 nan 8.230 nan 0.000 0.469 96 V N 1.921 121.695 119.914 -0.234 0.000 2.439 96 V HA -0.290 3.830 4.120 -0.000 0.000 0.253 96 V C 2.675 178.780 176.094 0.018 0.000 1.074 96 V CA 2.208 64.568 62.300 0.099 0.000 1.076 96 V CB -1.497 30.413 31.823 0.145 0.000 0.664 96 V HN 0.646 nan 8.190 nan 0.000 0.461 97 A N -0.705 122.069 122.820 -0.078 0.000 1.851 97 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 97 A C 2.064 179.561 177.584 -0.146 0.000 1.195 97 A CA 2.176 54.146 52.037 -0.112 0.000 0.622 97 A CB -0.862 18.030 19.000 -0.181 0.000 0.831 97 A HN 0.543 nan 8.150 nan 0.000 0.444 98 Y N -1.145 119.031 120.300 -0.206 0.000 2.181 98 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 98 Y C 2.267 178.169 175.900 0.003 0.000 1.146 98 Y CA 1.634 59.641 58.100 -0.155 0.000 1.164 98 Y CB -0.617 37.670 38.460 -0.288 0.000 0.982 98 Y HN 0.315 nan 8.280 nan 0.000 0.515 99 F N 0.306 120.364 119.950 0.180 0.000 2.027 99 F HA -0.307 4.220 4.527 -0.000 0.000 0.297 99 F C 2.373 178.318 175.800 0.242 0.000 1.129 99 F CA 1.577 59.669 58.000 0.153 0.000 1.195 99 F CB -1.368 37.737 39.000 0.175 0.000 0.960 99 F HN -0.053 nan 8.300 nan 0.000 0.485 100 R N -0.166 120.601 120.500 0.445 0.000 2.082 100 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 100 R C 2.438 178.920 176.300 0.303 0.000 1.136 100 R CA 1.722 58.042 56.100 0.366 0.000 0.935 100 R CB -1.240 29.189 30.300 0.214 0.000 0.842 100 R HN 0.252 nan 8.270 nan 0.000 0.430 101 S N -0.011 115.792 115.700 0.173 0.000 2.392 101 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 101 S C 1.770 176.470 174.600 0.167 0.000 1.041 101 S CA 1.452 59.707 58.200 0.090 0.000 1.026 101 S CB -0.312 62.856 63.200 -0.053 0.000 0.845 101 S HN 0.393 nan 8.310 nan 0.000 0.465 102 Y N 0.774 121.136 120.300 0.104 0.000 2.092 102 Y HA 0.002 4.552 4.550 -0.000 0.000 0.282 102 Y C 1.915 177.973 175.900 0.265 0.000 1.126 102 Y CA 1.672 59.836 58.100 0.106 0.000 1.111 102 Y CB -0.984 37.519 38.460 0.072 0.000 0.987 102 Y HN 0.306 nan 8.280 nan 0.000 0.489 103 F N 0.949 121.194 119.950 0.491 0.000 2.192 103 F HA -0.278 4.249 4.527 -0.000 0.000 0.301 103 F C 2.211 178.234 175.800 0.372 0.000 1.079 103 F CA 1.470 59.763 58.000 0.488 0.000 1.303 103 F CB -1.025 38.331 39.000 0.594 0.000 1.024 103 F HN 0.195 nan 8.300 nan 0.000 0.494 104 N N 0.368 119.329 118.700 0.435 0.000 2.084 104 N HA -0.165 4.575 4.740 -0.000 0.000 0.190 104 N C 1.963 177.554 175.510 0.135 0.000 1.030 104 N CA 1.234 54.430 53.050 0.243 0.000 0.849 104 N CB -0.474 38.091 38.487 0.130 0.000 1.012 104 N HN 0.320 nan 8.380 nan 0.000 0.423 105 R N -0.248 120.293 120.500 0.067 0.000 2.120 105 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 105 R C 2.000 178.440 176.300 0.233 0.000 1.123 105 R CA 1.113 57.197 56.100 -0.027 0.000 0.975 105 R CB -0.301 29.667 30.300 -0.553 0.000 0.866 105 R HN 0.420 nan 8.270 nan 0.000 0.446 106 H N -0.742 118.427 119.070 0.166 0.000 2.415 106 H HA 0.014 4.570 4.556 -0.000 0.000 0.297 106 H C 1.054 176.135 175.328 -0.413 0.000 1.048 106 H CA 1.273 57.242 56.048 -0.133 0.000 1.365 106 H CB 0.187 29.791 29.762 -0.263 0.000 1.421 106 H HN 0.044 nan 8.280 nan 0.000 0.533 107 F N 0.079 119.906 119.950 -0.205 0.000 2.678 107 F HA 0.310 4.837 4.527 -0.000 0.000 0.291 107 F C 0.582 176.104 175.800 -0.464 0.000 1.123 107 F CA 0.228 57.893 58.000 -0.559 0.000 1.395 107 F CB 0.194 39.109 39.000 -0.140 0.000 1.121 107 F HN -0.101 nan 8.300 nan 0.000 0.592 108 R N 1.723 122.194 120.500 -0.049 0.000 3.079 108 R HA -0.156 4.184 4.340 -0.000 0.000 0.254 108 R C -1.166 175.156 176.300 0.036 0.000 0.900 108 R CA 0.396 56.462 56.100 -0.057 0.000 0.641 108 R CB -1.741 28.453 30.300 -0.176 0.000 1.307 108 R HN 0.176 nan 8.270 nan 0.000 0.477 109 E N -0.998 119.251 120.200 0.082 0.000 2.416 109 E HA 0.316 4.666 4.350 -0.000 0.000 0.280 109 E C -2.791 173.853 176.600 0.074 0.000 1.055 109 E CA -2.045 54.404 56.400 0.081 0.000 0.825 109 E CB 1.544 31.293 29.700 0.082 0.000 1.312 109 E HN -0.101 nan 8.360 nan 0.000 0.452 110 P HA 0.267 nan 4.420 nan 0.000 0.287 110 P C -0.622 176.726 177.300 0.079 0.000 1.281 110 P CA -0.439 62.680 63.100 0.031 0.000 0.781 110 P CB 0.733 32.400 31.700 -0.054 0.000 0.903 111 V N 4.053 124.030 119.914 0.105 0.000 2.364 111 V HA 0.190 4.310 4.120 -0.000 0.000 0.272 111 V C 0.148 176.298 176.094 0.093 0.000 1.036 111 V CA -0.005 62.375 62.300 0.133 0.000 0.880 111 V CB 1.047 33.039 31.823 0.282 0.000 0.991 111 V HN 0.506 nan 8.190 nan 0.000 0.460 112 S N 4.327 120.053 115.700 0.044 0.000 2.438 112 S HA 0.608 5.078 4.470 -0.000 0.000 0.293 112 S C -0.448 174.157 174.600 0.010 0.000 1.141 112 S CA -0.512 57.674 58.200 -0.023 0.000 1.080 112 S CB 1.094 64.213 63.200 -0.134 0.000 0.978 112 S HN 0.897 nan 8.310 nan 0.000 0.479 113 C N 3.874 123.183 119.300 0.016 0.000 3.181 113 C HA 0.728 5.188 4.460 -0.000 0.000 0.362 113 C C -0.630 174.387 174.990 0.045 0.000 1.125 113 C CA -0.459 58.603 59.018 0.075 0.000 1.265 113 C CB 0.244 28.086 27.740 0.169 0.000 1.632 113 C HN 0.907 nan 8.230 nan 0.000 0.525 114 V N 2.450 122.393 119.914 0.047 0.000 3.158 114 V HA 1.005 5.125 4.120 -0.000 0.000 0.315 114 V C -0.385 175.641 176.094 -0.113 0.000 1.148 114 V CA -0.216 62.081 62.300 -0.006 0.000 1.042 114 V CB 1.774 33.618 31.823 0.035 0.000 1.101 114 V HN 1.295 nan 8.190 nan 0.000 0.448 115 S N 0.066 115.663 115.700 -0.171 0.000 2.546 115 S HA 0.472 4.942 4.470 -0.000 0.000 0.272 115 S C -0.767 173.684 174.600 -0.249 0.000 1.140 115 S CA -0.012 58.039 58.200 -0.249 0.000 0.920 115 S CB 1.662 64.811 63.200 -0.084 0.000 1.083 115 S HN 1.175 nan 8.310 nan 0.000 0.476 116 D N 2.159 122.381 120.400 -0.296 0.000 2.663 116 D HA 0.149 4.789 4.640 -0.000 0.000 0.243 116 D C 0.212 176.509 176.300 -0.005 0.000 1.218 116 D CA -0.245 53.713 54.000 -0.069 0.000 0.846 116 D CB -0.709 40.184 40.800 0.155 0.000 1.014 116 D HN 0.368 nan 8.370 nan 0.000 0.476 117 S N 0.211 115.891 115.700 -0.033 0.000 3.349 117 S HA -0.272 4.198 4.470 -0.000 0.000 0.214 117 S C 0.484 175.081 174.600 -0.004 0.000 0.578 117 S CA 0.296 58.486 58.200 -0.016 0.000 1.380 117 S CB -1.332 61.867 63.200 -0.001 0.000 0.888 117 S HN 0.526 nan 8.310 nan 0.000 0.349 118 M N 1.765 121.351 119.600 -0.023 0.000 2.240 118 M HA 0.214 4.694 4.480 -0.000 0.000 0.333 118 M C 1.234 177.527 176.300 -0.012 0.000 1.110 118 M CA 0.179 55.470 55.300 -0.014 0.000 1.173 118 M CB 0.627 33.186 32.600 -0.068 0.000 1.458 118 M HN 0.635 nan 8.290 nan 0.000 0.458 119 T N -2.636 111.922 114.554 0.005 0.000 2.598 119 T HA 0.285 4.635 4.350 -0.000 0.000 0.254 119 T C 0.764 175.464 174.700 0.002 0.000 0.889 119 T CA -0.808 61.294 62.100 0.003 0.000 1.091 119 T CB 0.909 69.783 68.868 0.011 0.000 1.437 119 T HN 0.731 nan 8.240 nan 0.000 0.542 120 E N 0.868 121.069 120.200 0.002 0.000 2.046 120 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 120 E C 1.381 177.980 176.600 -0.001 0.000 0.982 120 E CA 1.497 57.893 56.400 -0.005 0.000 0.800 120 E CB -0.324 29.373 29.700 -0.005 0.000 0.756 120 E HN 0.742 nan 8.360 nan 0.000 0.449 121 D N -0.061 120.351 120.400 0.020 0.000 2.411 121 D HA -0.144 4.496 4.640 -0.000 0.000 0.226 121 D C 0.830 177.171 176.300 0.068 0.000 0.988 121 D CA 0.978 55.006 54.000 0.046 0.000 0.938 121 D CB 0.107 40.944 40.800 0.063 0.000 0.883 121 D HN 0.206 nan 8.370 nan 0.000 0.525 122 A N -0.734 122.111 122.820 0.041 0.000 2.508 122 A HA 0.635 4.955 4.320 -0.000 0.000 0.250 122 A C 1.898 179.490 177.584 0.013 0.000 1.208 122 A CA 0.257 52.334 52.037 0.066 0.000 0.960 122 A CB 0.283 19.334 19.000 0.084 0.000 1.099 122 A HN 0.244 nan 8.150 nan 0.000 0.542 123 A N 0.141 122.940 122.820 -0.035 0.000 2.239 123 A HA 0.267 4.587 4.320 -0.000 0.000 0.209 123 A C 1.746 179.256 177.584 -0.122 0.000 1.171 123 A CA 1.671 53.675 52.037 -0.056 0.000 0.768 123 A CB -0.577 18.392 19.000 -0.053 0.000 0.790 123 A HN 1.069 nan 8.150 nan 0.000 0.478 124 V N -6.049 113.719 119.914 -0.243 0.000 2.911 124 V HA 0.325 4.445 4.120 -0.000 0.000 0.237 124 V C 1.103 176.869 176.094 -0.546 0.000 1.156 124 V CA 0.259 62.249 62.300 -0.516 0.000 1.180 124 V CB -0.795 30.456 31.823 -0.953 0.000 0.932 124 V HN 0.227 nan 8.190 nan 0.000 0.483 125 F N 2.726 122.713 119.950 0.062 0.000 2.925 125 F HA 0.803 5.330 4.527 -0.000 0.000 0.302 125 F C 1.557 177.429 175.800 0.120 0.000 1.189 125 F CA -0.515 57.529 58.000 0.073 0.000 1.346 125 F CB -0.270 38.757 39.000 0.046 0.000 0.954 125 F HN 0.456 nan 8.300 nan 0.000 0.506 126 G N 1.015 109.951 108.800 0.226 0.000 2.581 126 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.289 126 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.289 126 G C 0.855 175.950 174.900 0.326 0.000 1.303 126 G CA -0.093 45.185 45.100 0.297 0.000 0.931 126 G HN 0.863 nan 8.290 nan 0.000 0.555 127 G N -1.894 107.215 108.800 0.515 0.000 4.637 127 G HA2 0.455 4.415 3.960 -0.000 0.000 0.294 127 G HA3 0.455 4.415 3.960 -0.000 0.000 0.294 127 G C 0.738 175.956 174.900 0.530 0.000 1.215 127 G CA 1.170 46.542 45.100 0.454 0.000 0.943 127 G HN 0.731 nan 8.290 nan 0.000 0.572 128 Q N 0.030 119.977 119.800 0.244 0.000 2.443 128 Q HA -0.097 4.243 4.340 -0.000 0.000 0.213 128 Q C 2.120 178.046 176.000 -0.123 0.000 0.982 128 Q CA 1.547 57.141 55.803 -0.349 0.000 0.894 128 Q CB 0.141 28.460 28.738 -0.697 0.000 0.947 128 Q HN 0.563 nan 8.270 nan 0.000 0.480 129 Q N -0.899 118.898 119.800 -0.005 0.000 2.387 129 Q HA 0.101 4.441 4.340 -0.000 0.000 0.212 129 Q C 1.133 177.110 176.000 -0.039 0.000 0.925 129 Q CA 1.227 56.990 55.803 -0.066 0.000 0.901 129 Q CB -0.011 28.711 28.738 -0.027 0.000 1.020 129 Q HN 0.417 nan 8.270 nan 0.000 0.545 130 N N -0.214 118.539 118.700 0.089 0.000 2.348 130 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 130 N C 1.193 176.804 175.510 0.168 0.000 1.019 130 N CA 1.418 54.545 53.050 0.129 0.000 0.880 130 N CB -0.124 38.478 38.487 0.193 0.000 0.965 130 N HN 0.286 nan 8.380 nan 0.000 0.437 131 M N 0.783 120.482 119.600 0.164 0.000 2.115 131 M HA 0.034 4.514 4.480 -0.000 0.000 0.261 131 M C 1.490 177.748 176.300 -0.071 0.000 1.079 131 M CA 1.475 56.839 55.300 0.107 0.000 1.143 131 M CB -0.071 32.590 32.600 0.100 0.000 1.332 131 M HN -0.136 nan 8.290 nan 0.000 0.421 132 K N 0.354 120.600 120.400 -0.257 0.000 1.980 132 K HA -0.229 4.091 4.320 -0.000 0.000 0.223 132 K C 1.793 177.932 176.600 -0.769 0.000 1.052 132 K CA 2.103 57.954 56.287 -0.727 0.000 0.974 132 K CB -0.797 30.990 32.500 -1.190 0.000 0.734 132 K HN 0.416 nan 8.250 nan 0.000 0.447 133 D N -0.158 119.875 120.400 -0.611 0.000 2.104 133 D HA -0.139 4.501 4.640 -0.000 0.000 0.194 133 D C 1.996 178.262 176.300 -0.055 0.000 0.994 133 D CA 1.538 55.375 54.000 -0.271 0.000 0.830 133 D CB -0.631 40.094 40.800 -0.125 0.000 0.959 133 D HN 0.436 nan 8.370 nan 0.000 0.452 134 G N 1.548 110.363 108.800 0.025 0.000 2.586 134 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 134 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 134 G C 1.832 176.888 174.900 0.260 0.000 1.216 134 G CA 0.710 45.929 45.100 0.198 0.000 0.786 134 G HN 0.264 nan 8.290 nan 0.000 0.583 135 L N 0.154 121.470 121.223 0.155 0.000 2.079 135 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 135 L C 3.012 179.928 176.870 0.077 0.000 1.081 135 L CA 1.761 56.641 54.840 0.066 0.000 0.752 135 L CB -0.482 41.545 42.059 -0.055 0.000 0.896 135 L HN 0.425 nan 8.230 nan 0.000 0.433 136 Q N 0.198 120.043 119.800 0.076 0.000 2.016 136 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 136 Q C 2.052 178.089 176.000 0.062 0.000 0.978 136 Q CA 1.487 57.340 55.803 0.083 0.000 0.833 136 Q CB 0.078 28.935 28.738 0.199 0.000 0.895 136 Q HN 0.497 nan 8.270 nan 0.000 0.427 137 N N 0.630 119.378 118.700 0.080 0.000 2.036 137 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 137 N C 2.050 177.603 175.510 0.071 0.000 1.037 137 N CA 1.443 54.531 53.050 0.064 0.000 0.855 137 N CB -0.944 37.589 38.487 0.076 0.000 1.033 137 N HN 0.381 nan 8.380 nan 0.000 0.423 138 C N 1.940 121.339 119.300 0.165 0.000 2.413 138 C HA -0.116 4.344 4.460 -0.000 0.000 0.278 138 C C 2.724 177.820 174.990 0.176 0.000 1.224 138 C CA 1.116 60.286 59.018 0.253 0.000 1.732 138 C CB -1.023 26.952 27.740 0.392 0.000 2.050 138 C HN 0.460 nan 8.230 nan 0.000 0.463 139 K N 0.232 120.694 120.400 0.105 0.000 2.113 139 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 139 K C 1.915 178.489 176.600 -0.044 0.000 1.047 139 K CA 1.927 58.205 56.287 -0.015 0.000 0.928 139 K CB -0.350 31.985 32.500 -0.275 0.000 0.716 139 K HN 0.602 nan 8.250 nan 0.000 0.446 140 A N -0.349 122.442 122.820 -0.048 0.000 2.132 140 A HA 0.011 4.331 4.320 -0.000 0.000 0.213 140 A C 1.859 179.390 177.584 -0.089 0.000 1.154 140 A CA 1.180 53.181 52.037 -0.061 0.000 0.753 140 A CB -0.066 18.904 19.000 -0.050 0.000 0.826 140 A HN 0.345 nan 8.150 nan 0.000 0.469 141 T N -1.608 112.852 114.554 -0.156 0.000 2.925 141 T HA 0.045 4.395 4.350 -0.000 0.000 0.245 141 T C 0.963 175.394 174.700 -0.448 0.000 1.025 141 T CA 1.083 62.955 62.100 -0.381 0.000 1.149 141 T CB -0.277 68.201 68.868 -0.650 0.000 0.866 141 T HN 0.496 nan 8.240 nan 0.000 0.437 142 Y N 1.431 121.814 120.300 0.139 0.000 2.524 142 Y HA 0.398 4.948 4.550 -0.000 0.000 0.266 142 Y C 0.587 176.629 175.900 0.237 0.000 1.180 142 Y CA -0.997 57.223 58.100 0.200 0.000 1.244 142 Y CB -0.634 37.963 38.460 0.228 0.000 1.125 142 Y HN 0.076 nan 8.280 nan 0.000 0.524 143 K N 1.010 121.526 120.400 0.193 0.000 3.772 143 K HA -0.211 4.109 4.320 -0.000 0.000 0.274 143 K C -2.615 174.054 176.600 0.113 0.000 0.815 143 K CA 0.024 56.385 56.287 0.124 0.000 0.642 143 K CB -1.182 31.358 32.500 0.066 0.000 1.709 143 K HN 0.330 nan 8.250 nan 0.000 0.438 144 P HA 0.089 nan 4.420 nan 0.000 0.276 144 P C -0.161 177.217 177.300 0.131 0.000 1.261 144 P CA -0.259 62.865 63.100 0.041 0.000 0.800 144 P CB 0.822 32.688 31.700 0.277 0.000 1.066 145 D N -0.815 119.576 120.400 -0.015 0.000 2.327 145 D HA 0.156 4.796 4.640 -0.000 0.000 0.205 145 D C 0.709 176.929 176.300 -0.134 0.000 0.989 145 D CA 1.071 55.090 54.000 0.032 0.000 0.873 145 D CB 0.297 41.065 40.800 -0.053 0.000 0.955 145 D HN 0.323 nan 8.370 nan 0.000 0.515 146 M N 0.206 119.715 119.600 -0.151 0.000 2.465 146 M HA 0.380 4.860 4.480 -0.000 0.000 0.284 146 M C -2.095 174.122 176.300 -0.138 0.000 1.212 146 M CA -0.517 54.566 55.300 -0.362 0.000 0.910 146 M CB 2.478 34.941 32.600 -0.229 0.000 1.725 146 M HN -0.325 nan 8.290 nan 0.000 0.477 147 I N 3.330 123.775 120.570 -0.209 0.000 2.439 147 I HA 0.541 4.711 4.170 -0.000 0.000 0.283 147 I C -0.377 175.650 176.117 -0.150 0.000 1.023 147 I CA -0.797 60.484 61.300 -0.032 0.000 1.100 147 I CB 1.902 39.962 38.000 0.101 0.000 1.238 147 I HN 0.822 nan 8.210 nan 0.000 0.445 148 A N 6.766 129.536 122.820 -0.083 0.000 2.289 148 A HA 0.684 5.004 4.320 -0.000 0.000 0.298 148 A C -0.392 177.181 177.584 -0.018 0.000 1.208 148 A CA -0.366 51.596 52.037 -0.126 0.000 0.845 148 A CB 0.786 19.710 19.000 -0.127 0.000 1.125 148 A HN 0.464 nan 8.150 nan 0.000 0.517 149 V N 3.032 122.920 119.914 -0.044 0.000 2.427 149 V HA 0.549 4.669 4.120 -0.000 0.000 0.286 149 V C 0.329 176.466 176.094 0.070 0.000 1.034 149 V CA -0.066 62.269 62.300 0.058 0.000 0.893 149 V CB 1.488 33.278 31.823 -0.056 0.000 0.982 149 V HN 1.037 nan 8.190 nan 0.000 0.452 150 S N 2.260 118.035 115.700 0.125 0.000 2.810 150 S HA 0.866 5.336 4.470 -0.000 0.000 0.315 150 S C -0.170 174.484 174.600 0.089 0.000 1.138 150 S CA -0.706 57.530 58.200 0.061 0.000 0.889 150 S CB 2.284 65.507 63.200 0.040 0.000 1.236 150 S HN 0.910 nan 8.310 nan 0.000 0.548 151 T N -0.817 113.760 114.554 0.039 0.000 2.896 151 T HA 0.764 5.114 4.350 -0.000 0.000 0.297 151 T C -0.444 174.277 174.700 0.033 0.000 1.108 151 T CA -0.827 61.294 62.100 0.034 0.000 1.004 151 T CB 1.262 70.113 68.868 -0.029 0.000 1.159 151 T HN 0.716 nan 8.240 nan 0.000 0.499 152 T N -1.779 112.787 114.554 0.021 0.000 2.937 152 T HA 0.407 4.757 4.350 -0.000 0.000 0.283 152 T C 1.546 176.245 174.700 -0.001 0.000 1.012 152 T CA -0.584 61.539 62.100 0.038 0.000 0.997 152 T CB 0.563 69.454 68.868 0.038 0.000 1.136 152 T HN 0.824 nan 8.240 nan 0.000 0.551 153 C N 0.571 119.875 119.300 0.006 0.000 2.336 153 C HA -0.210 4.249 4.460 -0.000 0.000 0.275 153 C C 2.743 177.792 174.990 0.099 0.000 1.175 153 C CA 1.592 60.642 59.018 0.054 0.000 1.771 153 C CB -1.543 26.244 27.740 0.079 0.000 2.030 153 C HN 1.014 nan 8.230 nan 0.000 0.442 154 M N 1.650 121.276 119.600 0.044 0.000 2.539 154 M HA -0.279 4.201 4.480 -0.000 0.000 0.265 154 M C 2.422 178.736 176.300 0.024 0.000 1.064 154 M CA 2.928 58.242 55.300 0.025 0.000 1.077 154 M CB -0.701 31.887 32.600 -0.020 0.000 1.246 154 M HN 0.383 nan 8.290 nan 0.000 0.470 155 A N 0.071 122.869 122.820 -0.038 0.000 1.957 155 A HA -0.316 4.004 4.320 -0.000 0.000 0.224 155 A C 1.904 179.508 177.584 0.034 0.000 1.287 155 A CA 2.524 54.523 52.037 -0.063 0.000 0.682 155 A CB -1.249 17.672 19.000 -0.132 0.000 0.833 155 A HN 0.794 nan 8.150 nan 0.000 0.482 156 E N -0.832 119.422 120.200 0.090 0.000 2.076 156 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 156 E C 2.297 179.024 176.600 0.212 0.000 0.979 156 E CA 1.113 57.623 56.400 0.183 0.000 0.807 156 E CB -0.719 29.107 29.700 0.210 0.000 0.761 156 E HN 0.420 nan 8.360 nan 0.000 0.454 157 V N 2.754 122.797 119.914 0.214 0.000 2.287 157 V HA -0.243 3.876 4.120 -0.000 0.000 0.248 157 V C 2.540 178.676 176.094 0.069 0.000 1.053 157 V CA 1.972 64.346 62.300 0.123 0.000 1.027 157 V CB -0.665 31.205 31.823 0.077 0.000 0.646 157 V HN 0.363 nan 8.190 nan 0.000 0.447 158 I N -0.455 120.151 120.570 0.059 0.000 3.291 158 I HA 0.305 4.475 4.170 -0.000 0.000 0.279 158 I C 1.111 177.270 176.117 0.071 0.000 1.294 158 I CA 0.713 62.040 61.300 0.045 0.000 1.428 158 I CB -1.015 37.003 38.000 0.030 0.000 1.070 158 I HN 0.374 nan 8.210 nan 0.000 0.478 159 G N 2.553 111.406 108.800 0.088 0.000 2.675 159 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.196 159 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.196 159 G C -0.991 173.968 174.900 0.098 0.000 0.679 159 G CA 0.121 45.284 45.100 0.106 0.000 0.886 159 G HN 0.565 nan 8.290 nan 0.000 0.320 160 D N 0.854 121.279 120.400 0.042 0.000 2.350 160 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 160 D C -0.377 175.824 176.300 -0.165 0.000 1.036 160 D CA -0.483 53.425 54.000 -0.155 0.000 0.848 160 D CB 1.573 42.136 40.800 -0.395 0.000 1.307 160 D HN 0.294 nan 8.370 nan 0.000 0.469 161 D N 3.010 123.299 120.400 -0.185 0.000 2.441 161 D HA 0.088 4.728 4.640 -0.000 0.000 0.221 161 D C 1.440 177.649 176.300 -0.151 0.000 1.156 161 D CA -0.206 53.819 54.000 0.043 0.000 0.896 161 D CB 0.618 41.543 40.800 0.208 0.000 1.028 161 D HN 0.367 nan 8.370 nan 0.000 0.509 162 L N 3.339 124.463 121.223 -0.166 0.000 2.021 162 L HA -0.284 4.056 4.340 -0.000 0.000 0.215 162 L C 2.212 178.807 176.870 -0.458 0.000 1.074 162 L CA 1.135 55.773 54.840 -0.337 0.000 0.760 162 L CB -0.561 41.387 42.059 -0.185 0.000 0.889 162 L HN 0.393 nan 8.230 nan 0.000 0.433 163 N N 0.074 118.475 118.700 -0.497 0.000 2.013 163 N HA -0.203 4.537 4.740 -0.000 0.000 0.195 163 N C 1.748 177.117 175.510 -0.235 0.000 1.051 163 N CA 1.975 54.630 53.050 -0.658 0.000 0.851 163 N CB -0.249 38.102 38.487 -0.226 0.000 1.044 163 N HN 0.303 nan 8.380 nan 0.000 0.422 164 A N 0.140 122.958 122.820 -0.003 0.000 1.842 164 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 164 A C 2.129 179.789 177.584 0.126 0.000 1.206 164 A CA 1.934 54.028 52.037 0.095 0.000 0.630 164 A CB -1.544 17.577 19.000 0.202 0.000 0.839 164 A HN 0.380 nan 8.150 nan 0.000 0.447 165 F N 0.013 119.890 119.950 -0.120 0.000 2.082 165 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 165 F C 2.247 177.948 175.800 -0.166 0.000 1.091 165 F CA 1.560 59.479 58.000 -0.135 0.000 1.230 165 F CB -0.884 38.003 39.000 -0.189 0.000 0.983 165 F HN 0.166 nan 8.300 nan 0.000 0.485 166 I N -0.346 120.203 120.570 -0.035 0.000 2.252 166 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 166 I C 1.989 178.065 176.117 -0.068 0.000 1.102 166 I CA 1.183 62.407 61.300 -0.127 0.000 1.385 166 I CB -0.500 37.327 38.000 -0.288 0.000 1.064 166 I HN 0.143 nan 8.210 nan 0.000 0.414 167 N N 1.263 119.923 118.700 -0.067 0.000 2.223 167 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 167 N C 1.463 176.971 175.510 -0.004 0.000 1.016 167 N CA 1.327 54.359 53.050 -0.029 0.000 0.863 167 N CB -0.608 37.862 38.487 -0.028 0.000 0.983 167 N HN 0.431 nan 8.380 nan 0.000 0.429 168 N N 0.015 118.711 118.700 -0.006 0.000 2.250 168 N HA 0.035 4.775 4.740 -0.000 0.000 0.181 168 N C 1.524 177.073 175.510 0.065 0.000 1.017 168 N CA 0.676 53.730 53.050 0.005 0.000 0.866 168 N CB -0.096 38.364 38.487 -0.044 0.000 0.985 168 N HN 0.024 nan 8.380 nan 0.000 0.429 169 S N 0.344 116.085 115.700 0.069 0.000 2.442 169 S HA -0.042 4.428 4.470 -0.000 0.000 0.236 169 S C 1.529 176.229 174.600 0.167 0.000 1.007 169 S CA 1.017 59.318 58.200 0.167 0.000 0.965 169 S CB -0.012 63.225 63.200 0.061 0.000 0.773 169 S HN 0.324 nan 8.310 nan 0.000 0.504 170 K N 1.117 121.565 120.400 0.081 0.000 2.099 170 K HA 0.066 4.386 4.320 -0.000 0.000 0.203 170 K C 2.244 178.863 176.600 0.032 0.000 1.047 170 K CA 0.646 56.968 56.287 0.059 0.000 0.963 170 K CB -0.111 32.418 32.500 0.048 0.000 0.759 170 K HN 0.174 nan 8.250 nan 0.000 0.451 171 K N 1.661 122.075 120.400 0.024 0.000 2.009 171 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 171 K C 1.646 178.234 176.600 -0.019 0.000 1.049 171 K CA 1.825 58.113 56.287 0.002 0.000 0.929 171 K CB 0.002 32.502 32.500 0.001 0.000 0.714 171 K HN -0.119 nan 8.250 nan 0.000 0.440 172 E N -0.421 119.780 120.200 0.002 0.000 2.515 172 E HA -0.001 4.349 4.350 -0.000 0.000 0.201 172 E C 0.473 176.929 176.600 -0.239 0.000 1.071 172 E CA 0.902 57.263 56.400 -0.065 0.000 0.880 172 E CB -0.106 29.633 29.700 0.064 0.000 0.828 172 E HN 0.640 nan 8.360 nan 0.000 0.540 173 G N -0.574 108.135 108.800 -0.153 0.000 2.182 173 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 173 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 173 G C 0.477 175.203 174.900 -0.289 0.000 1.042 173 G CA 0.314 45.292 45.100 -0.202 0.000 0.775 173 G HN 0.326 nan 8.290 nan 0.000 0.501 174 F N 0.177 120.107 119.950 -0.033 0.000 2.569 174 F HA 0.373 4.900 4.527 -0.000 0.000 0.295 174 F C 1.691 177.455 175.800 -0.060 0.000 1.115 174 F CA 1.161 59.139 58.000 -0.037 0.000 1.450 174 F CB 0.285 39.270 39.000 -0.025 0.000 1.107 174 F HN 0.466 nan 8.300 nan 0.000 0.563 175 I N -4.174 116.446 120.570 0.083 0.000 2.775 175 I HA 0.453 4.623 4.170 -0.000 0.000 0.295 175 I C -2.930 173.190 176.117 0.003 0.000 1.287 175 I CA -2.543 58.747 61.300 -0.016 0.000 1.029 175 I CB 1.607 39.596 38.000 -0.019 0.000 1.282 175 I HN -0.370 nan 8.210 nan 0.000 0.426 176 P HA -0.089 nan 4.420 nan 0.000 0.271 176 P C -0.034 177.324 177.300 0.096 0.000 1.197 176 P CA 0.260 63.381 63.100 0.034 0.000 0.777 176 P CB 0.523 32.252 31.700 0.050 0.000 0.827 177 D N 0.675 121.120 120.400 0.076 0.000 2.349 177 D HA -0.070 4.570 4.640 -0.000 0.000 0.215 177 D C 0.318 176.679 176.300 0.102 0.000 1.016 177 D CA 0.725 54.772 54.000 0.078 0.000 0.870 177 D CB 0.377 41.201 40.800 0.040 0.000 0.917 177 D HN 0.366 nan 8.370 nan 0.000 0.524 178 E N -0.705 119.573 120.200 0.131 0.000 2.603 178 E HA 0.111 4.461 4.350 -0.000 0.000 0.211 178 E C -0.072 176.646 176.600 0.197 0.000 0.995 178 E CA -0.527 55.952 56.400 0.132 0.000 0.990 178 E CB -0.619 29.138 29.700 0.096 0.000 1.036 178 E HN 0.045 nan 8.360 nan 0.000 0.475 179 F N 4.886 124.873 119.950 0.062 0.000 2.472 179 F HA 0.269 4.796 4.527 -0.000 0.000 0.364 179 F C -2.031 173.808 175.800 0.064 0.000 1.090 179 F CA -3.307 54.724 58.000 0.053 0.000 1.188 179 F CB 0.667 39.680 39.000 0.021 0.000 1.105 179 F HN -0.139 nan 8.300 nan 0.000 0.536 180 P HA 0.023 nan 4.420 nan 0.000 0.266 180 P C -1.010 175.856 177.300 -0.724 0.000 1.215 180 P CA 0.216 63.078 63.100 -0.397 0.000 0.763 180 P CB 1.033 32.612 31.700 -0.202 0.000 0.806 181 V N 6.195 125.619 119.914 -0.816 0.000 2.558 181 V HA 0.209 4.329 4.120 -0.000 0.000 0.261 181 V C -1.941 173.634 176.094 -0.864 0.000 0.958 181 V CA -1.491 60.431 62.300 -0.630 0.000 0.852 181 V CB 1.478 33.132 31.823 -0.283 0.000 1.067 181 V HN 0.530 nan 8.190 nan 0.000 0.468 182 P HA 0.594 nan 4.420 nan 0.000 0.276 182 P C -1.008 176.201 177.300 -0.152 0.000 1.261 182 P CA -0.105 62.586 63.100 -0.682 0.000 0.800 182 P CB 1.560 32.839 31.700 -0.703 0.000 1.066 183 F N -2.805 116.961 119.950 -0.308 0.000 2.713 183 F HA 0.821 5.348 4.527 -0.000 0.000 0.311 183 F C -2.130 173.589 175.800 -0.134 0.000 1.141 183 F CA -1.819 56.057 58.000 -0.208 0.000 0.939 183 F CB 0.787 39.678 39.000 -0.181 0.000 1.325 183 F HN 0.592 nan 8.300 nan 0.000 0.453 184 A N 0.704 123.403 122.820 -0.201 0.000 2.577 184 A HA 0.550 4.870 4.320 -0.000 0.000 0.297 184 A C -2.008 175.557 177.584 -0.032 0.000 1.060 184 A CA -0.695 51.212 52.037 -0.218 0.000 0.697 184 A CB 0.906 19.784 19.000 -0.204 0.000 1.281 184 A HN 0.991 nan 8.150 nan 0.000 0.402 185 H N 1.471 120.502 119.070 -0.064 0.000 2.580 185 H HA 0.450 5.006 4.556 -0.000 0.000 0.322 185 H C -0.077 175.225 175.328 -0.044 0.000 1.082 185 H CA 1.013 57.054 56.048 -0.010 0.000 1.383 185 H CB 1.253 31.019 29.762 0.008 0.000 1.450 185 H HN 0.679 nan 8.280 nan 0.000 0.505 186 T N 1.154 115.723 114.554 0.024 0.000 3.317 186 T HA 0.193 4.543 4.350 -0.000 0.000 0.361 186 T C -2.883 171.738 174.700 -0.132 0.000 1.499 186 T CA -1.946 60.130 62.100 -0.039 0.000 1.529 186 T CB 0.892 69.740 68.868 -0.033 0.000 0.997 186 T HN 0.337 nan 8.240 nan 0.000 0.624 187 P HA 0.181 nan 4.420 nan 0.000 0.266 187 P C 0.948 177.842 177.300 -0.677 0.000 1.215 187 P CA 0.042 62.756 63.100 -0.643 0.000 0.763 187 P CB 1.341 32.549 31.700 -0.820 0.000 0.806 188 S N 3.306 118.647 115.700 -0.598 0.000 2.365 188 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 188 S C 1.298 175.733 174.600 -0.276 0.000 1.039 188 S CA 1.588 59.608 58.200 -0.300 0.000 1.033 188 S CB -1.031 62.093 63.200 -0.127 0.000 0.887 188 S HN 0.682 nan 8.310 nan 0.000 0.447 189 F N 1.334 121.284 119.950 0.000 0.000 2.738 189 F HA 0.394 4.921 4.527 -0.000 0.000 0.301 189 F C -0.126 175.669 175.800 -0.008 0.000 1.269 189 F CA -0.633 57.361 58.000 -0.009 0.000 1.441 189 F CB -1.045 37.951 39.000 -0.007 0.000 1.101 189 F HN -0.187 nan 8.300 nan 0.000 0.545 190 V N 0.378 120.259 119.914 -0.055 0.000 2.569 190 V HA 0.751 4.871 4.120 -0.000 0.000 0.301 190 V C 0.596 176.667 176.094 -0.039 0.000 1.044 190 V CA -0.827 61.478 62.300 0.010 0.000 0.874 190 V CB 0.692 32.514 31.823 -0.001 0.000 1.002 190 V HN 0.676 nan 8.190 nan 0.000 0.424 191 G N 4.557 113.342 108.800 -0.025 0.000 2.774 191 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.279 191 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.279 191 G C 0.220 175.058 174.900 -0.102 0.000 1.372 191 G CA 0.145 45.207 45.100 -0.064 0.000 0.913 191 G HN 1.516 nan 8.290 nan 0.000 0.562 192 S N -1.288 114.316 115.700 -0.161 0.000 2.647 192 S HA 0.565 5.035 4.470 -0.000 0.000 0.284 192 S C 1.697 176.169 174.600 -0.214 0.000 1.134 192 S CA 0.593 58.686 58.200 -0.179 0.000 1.027 192 S CB 0.725 63.760 63.200 -0.274 0.000 1.180 192 S HN 1.438 nan 8.310 nan 0.000 0.521 193 H N 0.567 119.510 119.070 -0.211 0.000 2.387 193 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 193 H C 2.246 177.408 175.328 -0.276 0.000 1.090 193 H CA 1.834 57.740 56.048 -0.237 0.000 1.332 193 H CB -1.642 27.921 29.762 -0.332 0.000 1.386 193 H HN 0.515 nan 8.280 nan 0.000 0.516 194 V N -0.018 119.251 119.914 -1.075 0.000 2.380 194 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 194 V C 2.273 178.283 176.094 -0.139 0.000 1.063 194 V CA 2.342 64.225 62.300 -0.696 0.000 1.055 194 V CB -1.494 29.727 31.823 -1.004 0.000 0.657 194 V HN 0.361 nan 8.190 nan 0.000 0.455 195 T N 0.949 115.416 114.554 -0.146 0.000 2.788 195 T HA -0.006 4.344 4.350 -0.000 0.000 0.268 195 T C 1.894 176.641 174.700 0.078 0.000 1.044 195 T CA 1.724 63.826 62.100 0.003 0.000 1.139 195 T CB -0.838 68.006 68.868 -0.040 0.000 0.867 195 T HN 0.768 nan 8.240 nan 0.000 0.454 196 G N -0.096 108.740 108.800 0.061 0.000 2.480 196 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 196 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 196 G C 1.285 176.305 174.900 0.199 0.000 1.200 196 G CA 0.774 45.929 45.100 0.092 0.000 0.782 196 G HN 0.543 nan 8.290 nan 0.000 0.554 197 W N 1.272 122.642 121.300 0.117 0.000 2.301 197 W HA -0.200 4.460 4.660 -0.000 0.000 0.325 197 W C 2.433 179.067 176.519 0.192 0.000 1.250 197 W CA 1.997 59.471 57.345 0.214 0.000 1.261 197 W CB -0.151 29.495 29.460 0.310 0.000 1.157 197 W HN 0.242 nan 8.180 nan 0.000 0.473 198 D N -0.237 120.513 120.400 0.584 0.000 2.205 198 D HA -0.280 4.360 4.640 -0.000 0.000 0.190 198 D C 1.637 178.080 176.300 0.238 0.000 1.002 198 D CA 2.305 56.547 54.000 0.403 0.000 0.848 198 D CB -0.754 40.192 40.800 0.243 0.000 0.975 198 D HN 0.129 nan 8.370 nan 0.000 0.449 199 N N -0.233 118.545 118.700 0.130 0.000 2.002 199 N HA -0.218 4.522 4.740 -0.000 0.000 0.199 199 N C 1.693 177.182 175.510 -0.034 0.000 1.060 199 N CA 1.688 54.752 53.050 0.023 0.000 0.867 199 N CB -0.682 37.806 38.487 0.002 0.000 1.069 199 N HN 0.189 nan 8.380 nan 0.000 0.430 200 M N 0.048 119.623 119.600 -0.043 0.000 2.405 200 M HA -0.249 4.231 4.480 -0.000 0.000 0.256 200 M C 1.844 178.040 176.300 -0.173 0.000 1.067 200 M CA 1.598 56.821 55.300 -0.128 0.000 1.073 200 M CB -1.026 31.496 32.600 -0.129 0.000 1.273 200 M HN 0.294 nan 8.290 nan 0.000 0.443 201 F N 0.684 120.453 119.950 -0.302 0.000 2.043 201 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 201 F C 2.408 178.088 175.800 -0.200 0.000 1.118 201 F CA 2.714 60.553 58.000 -0.269 0.000 1.202 201 F CB -0.847 37.996 39.000 -0.262 0.000 0.965 201 F HN 0.366 nan 8.300 nan 0.000 0.482 202 E N 0.479 120.665 120.200 -0.023 0.000 2.065 202 E HA -0.256 4.094 4.350 -0.000 0.000 0.201 202 E C 2.445 178.752 176.600 -0.488 0.000 1.016 202 E CA 1.594 57.832 56.400 -0.270 0.000 0.818 202 E CB -1.117 28.482 29.700 -0.168 0.000 0.749 202 E HN 0.551 nan 8.360 nan 0.000 0.453 203 G N 1.066 109.629 108.800 -0.394 0.000 2.507 203 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.221 203 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.221 203 G C 1.757 176.392 174.900 -0.441 0.000 1.119 203 G CA 1.095 45.918 45.100 -0.462 0.000 0.751 203 G HN 0.316 nan 8.290 nan 0.000 0.574 204 I N 0.829 121.125 120.570 -0.457 0.000 2.400 204 I HA -0.001 4.169 4.170 -0.000 0.000 0.248 204 I C 3.255 179.212 176.117 -0.268 0.000 1.109 204 I CA 0.646 61.697 61.300 -0.414 0.000 1.425 204 I CB -0.259 37.400 38.000 -0.568 0.000 1.094 204 I HN 0.222 nan 8.210 nan 0.000 0.425 205 A N 1.384 123.943 122.820 -0.434 0.000 1.892 205 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 205 A C 2.397 179.921 177.584 -0.100 0.000 1.188 205 A CA 1.740 53.648 52.037 -0.216 0.000 0.631 205 A CB -0.638 18.074 19.000 -0.480 0.000 0.822 205 A HN 0.300 nan 8.150 nan 0.000 0.447 206 R N -2.290 117.925 120.500 -0.474 0.000 2.096 206 R HA -0.185 4.155 4.340 -0.000 0.000 0.229 206 R C 2.112 178.382 176.300 -0.049 0.000 1.134 206 R CA 1.776 57.713 56.100 -0.273 0.000 0.917 206 R CB -0.831 29.242 30.300 -0.378 0.000 0.832 206 R HN 0.596 nan 8.270 nan 0.000 0.430 207 Y N 0.008 120.141 120.300 -0.279 0.000 2.321 207 Y HA -0.277 4.272 4.550 -0.000 0.000 0.281 207 Y C 1.088 176.718 175.900 -0.450 0.000 1.200 207 Y CA 1.582 59.444 58.100 -0.396 0.000 1.269 207 Y CB 0.037 38.115 38.460 -0.637 0.000 0.972 207 Y HN 0.052 nan 8.280 nan 0.000 0.550 208 F N -2.412 117.570 119.950 0.054 0.000 2.706 208 F HA 0.166 4.693 4.527 -0.000 0.000 0.313 208 F C 1.638 177.483 175.800 0.074 0.000 1.096 208 F CA 0.703 58.722 58.000 0.032 0.000 1.219 208 F CB 0.220 39.256 39.000 0.061 0.000 1.051 208 F HN 0.029 nan 8.300 nan 0.000 0.568 209 T N -4.266 110.484 114.554 0.327 0.000 3.046 209 T HA 0.118 4.468 4.350 -0.000 0.000 0.270 209 T C 1.485 176.375 174.700 0.317 0.000 0.920 209 T CA 0.156 62.465 62.100 0.349 0.000 0.874 209 T CB -0.379 68.877 68.868 0.646 0.000 1.214 209 T HN 0.035 nan 8.240 nan 0.000 0.536 210 L N 1.870 123.265 121.223 0.286 0.000 1.988 210 L HA 0.289 4.629 4.340 -0.000 0.000 0.207 210 L C 1.402 178.340 176.870 0.113 0.000 1.071 210 L CA 1.681 56.658 54.840 0.228 0.000 0.744 210 L CB -0.422 41.745 42.059 0.180 0.000 0.893 210 L HN -0.029 nan 8.230 nan 0.000 0.433 211 K N 0.563 120.991 120.400 0.048 0.000 2.836 211 K HA 0.169 4.489 4.320 -0.000 0.000 0.236 211 K C 0.290 176.901 176.600 0.017 0.000 1.015 211 K CA 0.747 57.042 56.287 0.014 0.000 1.194 211 K CB -0.774 31.705 32.500 -0.035 0.000 1.002 211 K HN 0.545 nan 8.250 nan 0.000 0.479 212 S N -1.649 114.076 115.700 0.042 0.000 2.514 212 S HA 0.170 4.640 4.470 -0.000 0.000 0.193 212 S C 0.438 175.059 174.600 0.034 0.000 0.790 212 S CA -0.598 57.620 58.200 0.030 0.000 0.958 212 S CB -0.260 62.953 63.200 0.022 0.000 1.696 212 S HN -0.012 nan 8.310 nan 0.000 0.514 213 M N 1.682 121.308 119.600 0.044 0.000 2.563 213 M HA 0.192 4.672 4.480 -0.000 0.000 0.231 213 M C 0.590 176.901 176.300 0.019 0.000 1.136 213 M CA 0.331 55.654 55.300 0.038 0.000 1.026 213 M CB -0.901 31.735 32.600 0.061 0.000 1.597 213 M HN 0.451 nan 8.290 nan 0.000 0.495 214 D N 1.461 121.869 120.400 0.013 0.000 2.091 214 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 214 D C 0.998 177.298 176.300 -0.001 0.000 0.980 214 D CA 1.467 55.471 54.000 0.006 0.000 0.831 214 D CB -0.155 40.648 40.800 0.005 0.000 0.987 214 D HN 0.458 nan 8.370 nan 0.000 0.460 215 D N 0.591 120.988 120.400 -0.006 0.000 2.336 215 D HA -0.053 4.587 4.640 -0.000 0.000 0.229 215 D C 0.150 176.437 176.300 -0.021 0.000 1.061 215 D CA 0.265 54.257 54.000 -0.013 0.000 0.875 215 D CB -0.073 40.718 40.800 -0.015 0.000 0.904 215 D HN -0.062 nan 8.370 nan 0.000 0.525 216 K N 0.619 121.006 120.400 -0.022 0.000 2.172 216 K HA 0.468 4.788 4.320 -0.000 0.000 0.276 216 K C -0.482 176.106 176.600 -0.021 0.000 1.013 216 K CA -0.884 55.382 56.287 -0.035 0.000 0.913 216 K CB 2.610 35.079 32.500 -0.052 0.000 1.055 216 K HN -0.101 nan 8.250 nan 0.000 0.461 217 V N 2.228 122.126 119.914 -0.027 0.000 2.509 217 V HA 0.088 4.208 4.120 -0.000 0.000 0.289 217 V C 0.054 176.129 176.094 -0.031 0.000 1.026 217 V CA -1.272 61.016 62.300 -0.020 0.000 0.872 217 V CB 1.630 33.439 31.823 -0.022 0.000 1.017 217 V HN 0.461 nan 8.190 nan 0.000 0.436 218 V N 4.810 124.709 119.914 -0.025 0.000 2.717 218 V HA 0.218 4.338 4.120 -0.000 0.000 0.302 218 V C 1.659 177.696 176.094 -0.094 0.000 1.097 218 V CA 2.220 64.474 62.300 -0.076 0.000 1.262 218 V CB -0.040 31.733 31.823 -0.084 0.000 0.846 218 V HN 1.483 nan 8.190 nan 0.000 0.485 219 G N 3.875 112.603 108.800 -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 1.043 175.906 174.900 -0.063 0.000 0.984 219 G CA 0.871 45.917 45.100 -0.091 0.000 0.633 219 G HN 1.274 nan 8.290 nan 0.000 0.525 220 S N 0.856 116.521 115.700 -0.057 0.000 2.440 220 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 220 S C 1.704 176.277 174.600 -0.045 0.000 1.010 220 S CA 1.864 60.036 58.200 -0.047 0.000 0.972 220 S CB -0.372 62.801 63.200 -0.045 0.000 0.774 220 S HN 1.228 nan 8.310 nan 0.000 0.501 221 N N -0.156 118.514 118.700 -0.049 0.000 2.220 221 N HA 0.193 4.933 4.740 -0.000 0.000 0.195 221 N C 0.002 175.489 175.510 -0.039 0.000 1.123 221 N CA -0.058 52.965 53.050 -0.045 0.000 0.874 221 N CB -0.188 38.270 38.487 -0.049 0.000 0.995 221 N HN 0.143 nan 8.380 nan 0.000 0.498 222 K N -1.019 119.359 120.400 -0.038 0.000 3.160 222 K HA -0.205 4.115 4.320 -0.000 0.000 0.280 222 K C -0.875 175.713 176.600 -0.019 0.000 1.154 222 K CA 0.903 57.172 56.287 -0.030 0.000 0.822 222 K CB -1.818 30.666 32.500 -0.027 0.000 1.239 222 K HN 0.476 nan 8.250 nan 0.000 0.489 223 K N -0.195 120.196 120.400 -0.014 0.000 2.306 223 K HA 0.653 4.973 4.320 -0.000 0.000 0.236 223 K C -0.185 176.439 176.600 0.040 0.000 1.013 223 K CA -1.014 55.281 56.287 0.014 0.000 0.857 223 K CB 1.671 34.173 32.500 0.004 0.000 1.214 223 K HN -0.044 nan 8.250 nan 0.000 0.449 224 I N 2.007 122.632 120.570 0.092 0.000 2.436 224 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 224 I C -0.651 175.576 176.117 0.183 0.000 1.010 224 I CA -1.053 60.316 61.300 0.116 0.000 1.098 224 I CB 1.765 39.822 38.000 0.094 0.000 1.266 224 I HN 0.461 nan 8.210 nan 0.000 0.434 225 N N 6.460 125.293 118.700 0.223 0.000 2.530 225 N HA 0.464 5.204 4.740 -0.000 0.000 0.277 225 N C -0.732 174.931 175.510 0.256 0.000 1.168 225 N CA -0.252 52.961 53.050 0.273 0.000 0.979 225 N CB 1.870 40.579 38.487 0.370 0.000 1.141 225 N HN 0.335 nan 8.380 nan 0.000 0.459 226 I N 1.851 122.573 120.570 0.253 0.000 2.447 226 I HA 0.234 4.404 4.170 -0.000 0.000 0.287 226 I C -0.499 175.727 176.117 0.181 0.000 1.023 226 I CA -0.707 60.711 61.300 0.197 0.000 1.083 226 I CB 1.489 39.589 38.000 0.167 0.000 1.245 226 I HN 0.046 nan 8.210 nan 0.000 0.434 227 V N 8.948 128.922 119.914 0.101 0.000 2.313 227 V HA 0.278 4.398 4.120 -0.000 0.000 0.278 227 V C -1.254 174.800 176.094 -0.068 0.000 1.017 227 V CA -1.028 61.277 62.300 0.009 0.000 0.823 227 V CB 1.506 33.219 31.823 -0.184 0.000 1.010 227 V HN 0.566 nan 8.190 nan 0.000 0.443 228 P HA 0.039 nan 4.420 nan 0.000 0.226 228 P C 0.892 177.933 177.300 -0.431 0.000 1.153 228 P CA 1.493 64.539 63.100 -0.090 0.000 0.777 228 P CB 0.498 32.331 31.700 0.222 0.000 0.794 229 G N 0.855 109.061 108.800 -0.989 0.000 2.645 229 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.239 229 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.239 229 G C -0.806 173.004 174.900 -1.816 0.000 1.331 229 G CA -0.240 43.808 45.100 -1.754 0.000 0.890 229 G HN 0.334 nan 8.290 nan 0.000 0.572 230 F N 2.134 121.380 119.950 -1.174 0.000 2.494 230 F HA 0.594 5.121 4.527 -0.000 0.000 0.351 230 F C 0.379 175.971 175.800 -0.347 0.000 1.205 230 F CA 0.026 57.610 58.000 -0.694 0.000 1.125 230 F CB 0.582 39.389 39.000 -0.322 0.000 1.268 230 F HN 0.621 nan 8.300 nan 0.000 0.593 231 E N 3.188 123.063 120.200 -0.541 0.000 2.187 231 E HA 0.289 4.639 4.350 -0.000 0.000 0.268 231 E C 0.133 176.445 176.600 -0.480 0.000 0.896 231 E CA -0.446 55.627 56.400 -0.543 0.000 0.766 231 E CB 1.497 30.763 29.700 -0.723 0.000 1.142 231 E HN 0.501 nan 8.360 nan 0.000 0.408 232 T N 0.991 115.297 114.554 -0.413 0.000 3.084 232 T HA 0.263 4.613 4.350 -0.000 0.000 0.270 232 T C -0.038 174.936 174.700 0.457 0.000 1.008 232 T CA -0.152 61.952 62.100 0.007 0.000 0.900 232 T CB -0.315 68.398 68.868 -0.258 0.000 1.084 232 T HN 0.427 nan 8.240 nan 0.000 0.538 233 Y N 1.849 122.116 120.300 -0.055 0.000 2.478 233 Y HA 0.403 4.953 4.550 -0.000 0.000 0.329 233 Y C 1.288 177.149 175.900 -0.066 0.000 0.967 233 Y CA -1.415 56.678 58.100 -0.011 0.000 1.255 233 Y CB 1.045 39.445 38.460 -0.100 0.000 1.103 233 Y HN -0.021 nan 8.280 nan 0.000 0.497 234 L N 2.551 123.901 121.223 0.213 0.000 1.991 234 L HA -0.294 4.046 4.340 -0.000 0.000 0.221 234 L C 2.489 179.417 176.870 0.097 0.000 1.079 234 L CA 1.890 56.852 54.840 0.202 0.000 0.778 234 L CB -0.827 41.288 42.059 0.092 0.000 0.893 234 L HN 0.854 nan 8.230 nan 0.000 0.437 235 G N -0.419 108.378 108.800 -0.005 0.000 2.581 235 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.223 235 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.223 235 G C 1.383 176.264 174.900 -0.031 0.000 1.094 235 G CA 1.185 46.268 45.100 -0.029 0.000 0.736 235 G HN 0.367 nan 8.290 nan 0.000 0.588 236 N N 0.386 119.041 118.700 -0.074 0.000 2.081 236 N HA -0.049 4.691 4.740 -0.000 0.000 0.191 236 N C 1.912 177.352 175.510 -0.117 0.000 1.053 236 N CA 0.865 53.821 53.050 -0.156 0.000 0.846 236 N CB -0.681 37.627 38.487 -0.298 0.000 1.032 236 N HN 0.243 nan 8.380 nan 0.000 0.431 237 F N 2.102 122.025 119.950 -0.045 0.000 2.063 237 F HA -0.260 4.267 4.527 -0.000 0.000 0.297 237 F C 2.491 178.250 175.800 -0.067 0.000 1.099 237 F CA 1.456 59.421 58.000 -0.057 0.000 1.220 237 F CB -0.793 38.182 39.000 -0.041 0.000 0.972 237 F HN 0.047 nan 8.300 nan 0.000 0.487 238 R N -0.123 120.470 120.500 0.155 0.000 2.096 238 R HA -0.169 4.171 4.340 -0.000 0.000 0.229 238 R C 2.227 178.525 176.300 -0.002 0.000 1.134 238 R CA 1.705 57.841 56.100 0.060 0.000 0.917 238 R CB -1.423 28.901 30.300 0.040 0.000 0.832 238 R HN 0.244 nan 8.270 nan 0.000 0.430 239 V N 1.904 121.802 119.914 -0.028 0.000 2.428 239 V HA -0.286 3.834 4.120 -0.000 0.000 0.255 239 V C 2.089 178.128 176.094 -0.091 0.000 1.080 239 V CA 1.744 64.009 62.300 -0.059 0.000 1.083 239 V CB -0.413 31.363 31.823 -0.078 0.000 0.665 239 V HN 0.281 nan 8.190 nan 0.000 0.461 240 I N -0.109 120.397 120.570 -0.108 0.000 2.133 240 I HA -0.205 3.965 4.170 -0.000 0.000 0.238 240 I C 2.489 178.484 176.117 -0.203 0.000 1.074 240 I CA 1.990 63.201 61.300 -0.148 0.000 1.342 240 I CB -1.444 36.473 38.000 -0.139 0.000 1.053 240 I HN 0.376 nan 8.210 nan 0.000 0.404 241 K N 0.004 120.270 120.400 -0.224 0.000 2.020 241 K HA -0.232 4.088 4.320 -0.000 0.000 0.212 241 K C 2.305 178.819 176.600 -0.143 0.000 1.050 241 K CA 1.353 57.436 56.287 -0.339 0.000 0.929 241 K CB -0.253 32.216 32.500 -0.052 0.000 0.714 241 K HN 0.157 nan 8.250 nan 0.000 0.443 242 R N 1.243 121.713 120.500 -0.051 0.000 2.080 242 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 242 R C 2.220 178.514 176.300 -0.010 0.000 1.137 242 R CA 1.859 57.956 56.100 -0.006 0.000 0.943 242 R CB -0.399 29.898 30.300 -0.005 0.000 0.846 242 R HN 0.268 nan 8.270 nan 0.000 0.431 243 M N 0.538 120.116 119.600 -0.038 0.000 2.065 243 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 243 M C 2.487 178.788 176.300 0.001 0.000 1.069 243 M CA 1.755 57.043 55.300 -0.020 0.000 1.110 243 M CB -0.438 32.139 32.600 -0.038 0.000 1.328 243 M HN 0.162 nan 8.290 nan 0.000 0.405 244 L N -0.779 120.426 121.223 -0.031 0.000 2.012 244 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 244 L C 2.586 179.518 176.870 0.103 0.000 1.073 244 L CA 1.219 56.064 54.840 0.007 0.000 0.748 244 L CB -0.764 41.226 42.059 -0.115 0.000 0.891 244 L HN 0.273 nan 8.230 nan 0.000 0.431 245 S N -0.769 115.021 115.700 0.150 0.000 2.419 245 S HA -0.238 4.232 4.470 -0.000 0.000 0.235 245 S C 1.836 176.496 174.600 0.100 0.000 1.019 245 S CA 1.319 59.635 58.200 0.193 0.000 0.982 245 S CB -0.214 63.111 63.200 0.208 0.000 0.789 245 S HN 0.424 nan 8.310 nan 0.000 0.490 246 E N 0.180 120.420 120.200 0.068 0.000 2.358 246 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 246 E C 1.730 178.356 176.600 0.043 0.000 1.010 246 E CA 0.348 56.777 56.400 0.048 0.000 0.856 246 E CB -0.010 29.712 29.700 0.037 0.000 0.795 246 E HN 0.474 nan 8.360 nan 0.000 0.504 247 M N -1.236 118.392 119.600 0.047 0.000 2.441 247 M HA 0.174 4.654 4.480 -0.000 0.000 0.244 247 M C 0.994 177.317 176.300 0.039 0.000 1.122 247 M CA 1.045 56.368 55.300 0.037 0.000 1.041 247 M CB 0.851 33.468 32.600 0.027 0.000 1.438 247 M HN 0.205 nan 8.290 nan 0.000 0.484 248 G N 0.956 109.788 108.800 0.054 0.000 2.148 248 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.254 248 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.254 248 G C -0.111 174.820 174.900 0.051 0.000 0.981 248 G CA 0.246 45.374 45.100 0.046 0.000 0.670 248 G HN 0.372 nan 8.290 nan 0.000 0.528 249 V N 0.701 120.663 119.914 0.081 0.000 2.583 249 V HA 0.630 4.750 4.120 -0.000 0.000 0.287 249 V C 1.274 177.452 176.094 0.139 0.000 1.051 249 V CA 0.185 62.540 62.300 0.091 0.000 1.010 249 V CB 1.590 33.467 31.823 0.091 0.000 0.988 249 V HN 0.720 nan 8.190 nan 0.000 0.478 250 G N 4.256 113.101 108.800 0.074 0.000 2.333 250 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 250 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 250 G C -0.915 174.033 174.900 0.080 0.000 1.150 250 G CA -0.196 44.912 45.100 0.013 0.000 0.895 250 G HN 0.804 nan 8.290 nan 0.000 0.444 251 Y N -0.371 119.942 120.300 0.021 0.000 2.602 251 Y HA 0.817 5.367 4.550 -0.000 0.000 0.342 251 Y C -0.198 175.727 175.900 0.042 0.000 1.029 251 Y CA -1.737 56.387 58.100 0.040 0.000 1.080 251 Y CB 2.011 40.505 38.460 0.056 0.000 1.284 251 Y HN 0.294 nan 8.280 nan 0.000 0.485 252 S N 2.494 118.354 115.700 0.266 0.000 2.389 252 S HA 0.273 4.743 4.470 -0.000 0.000 0.201 252 S C -1.611 173.153 174.600 0.273 0.000 1.422 252 S CA -0.529 57.778 58.200 0.177 0.000 1.216 252 S CB 0.098 63.361 63.200 0.105 0.000 1.130 252 S HN 0.656 nan 8.310 nan 0.000 0.465 253 L N 5.542 126.961 121.223 0.326 0.000 2.565 253 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 253 L C -0.606 176.376 176.870 0.185 0.000 1.137 253 L CA 0.445 55.434 54.840 0.249 0.000 0.915 253 L CB -0.238 41.952 42.059 0.218 0.000 1.232 253 L HN 0.545 nan 8.230 nan 0.000 0.473 254 L N 5.574 126.957 121.223 0.267 0.000 2.325 254 L HA 0.257 4.596 4.340 -0.000 0.000 0.284 254 L C 0.727 177.779 176.870 0.303 0.000 1.089 254 L CA -0.326 54.731 54.840 0.362 0.000 0.836 254 L CB 0.342 42.814 42.059 0.689 0.000 1.184 254 L HN 0.879 nan 8.230 nan 0.000 0.444 255 S N 2.450 118.074 115.700 -0.127 0.000 3.828 255 S HA -0.160 4.310 4.470 -0.000 0.000 0.722 255 S C -0.588 173.867 174.600 -0.241 0.000 0.508 255 S CA -0.109 57.839 58.200 -0.420 0.000 1.434 255 S CB -0.552 62.725 63.200 0.129 0.000 0.825 255 S HN 0.907 nan 8.310 nan 0.000 1.023 256 D N 4.674 124.822 120.400 -0.420 0.000 2.446 256 D HA 0.519 5.159 4.640 -0.000 0.000 0.251 256 D C -1.103 174.878 176.300 -0.532 0.000 1.137 256 D CA -1.848 51.856 54.000 -0.493 0.000 0.890 256 D CB 1.087 41.703 40.800 -0.306 0.000 1.071 256 D HN 0.233 nan 8.370 nan 0.000 0.528 257 P HA 0.035 nan 4.420 nan 0.000 0.262 257 P C 0.557 177.582 177.300 -0.457 0.000 1.304 257 P CA 0.167 62.991 63.100 -0.460 0.000 0.859 257 P CB 0.209 31.704 31.700 -0.341 0.000 1.310 258 E N 0.090 119.926 120.200 -0.608 0.000 2.455 258 E HA -0.172 4.178 4.350 -0.000 0.000 0.202 258 E C 1.463 177.965 176.600 -0.163 0.000 1.045 258 E CA 1.193 57.413 56.400 -0.300 0.000 0.872 258 E CB -0.303 29.264 29.700 -0.221 0.000 0.792 258 E HN 0.112 nan 8.360 nan 0.000 0.542 259 E N -0.017 120.079 120.200 -0.173 0.000 2.256 259 E HA 0.029 4.379 4.350 -0.000 0.000 0.198 259 E C 1.906 178.452 176.600 -0.090 0.000 0.908 259 E CA 0.750 57.087 56.400 -0.104 0.000 0.915 259 E CB -0.081 29.569 29.700 -0.085 0.000 0.890 259 E HN 0.235 nan 8.360 nan 0.000 0.484 260 V N 1.356 121.203 119.914 -0.112 0.000 3.217 260 V HA -0.009 4.111 4.120 -0.000 0.000 0.264 260 V C 1.572 177.593 176.094 -0.122 0.000 1.135 260 V CA 0.763 63.008 62.300 -0.091 0.000 1.142 260 V CB -0.216 31.557 31.823 -0.083 0.000 0.754 260 V HN 0.152 nan 8.190 nan 0.000 0.484 261 L N -0.239 120.871 121.223 -0.189 0.000 2.628 261 L HA 0.327 4.667 4.340 -0.000 0.000 0.229 261 L C 0.562 177.373 176.870 -0.099 0.000 1.137 261 L CA 0.562 55.241 54.840 -0.268 0.000 0.909 261 L CB 0.093 41.827 42.059 -0.541 0.000 1.137 261 L HN 0.337 nan 8.230 nan 0.000 0.470 262 D N -0.634 119.738 120.400 -0.047 0.000 3.118 262 D HA -0.011 4.629 4.640 -0.000 0.000 0.352 262 D C 0.391 176.694 176.300 0.005 0.000 1.498 262 D CA -0.046 53.957 54.000 0.006 0.000 0.759 262 D CB 0.568 41.364 40.800 -0.006 0.000 1.251 262 D HN -0.085 nan 8.370 nan 0.000 0.504 263 T N 0.630 115.193 114.554 0.015 0.000 2.940 263 T HA 0.297 4.647 4.350 -0.000 0.000 0.309 263 T C -1.958 172.764 174.700 0.037 0.000 1.056 263 T CA -0.928 61.187 62.100 0.024 0.000 1.137 263 T CB 0.904 69.800 68.868 0.048 0.000 0.976 263 T HN 0.031 nan 8.240 nan 0.000 0.547 264 P HA 0.377 nan 4.420 nan 0.000 0.276 264 P C -1.241 176.084 177.300 0.042 0.000 1.252 264 P CA -0.728 62.387 63.100 0.026 0.000 0.802 264 P CB 0.705 32.413 31.700 0.014 0.000 1.035 265 A N 1.378 124.219 122.820 0.035 0.000 2.736 265 A HA 0.347 4.667 4.320 -0.000 0.000 0.335 265 A C 0.117 177.722 177.584 0.035 0.000 1.446 265 A CA -0.375 51.687 52.037 0.042 0.000 1.028 265 A CB -0.973 18.048 19.000 0.035 0.000 1.154 265 A HN 0.566 nan 8.150 nan 0.000 0.507 266 D N 0.246 120.670 120.400 0.040 0.000 2.538 266 D HA 0.368 5.008 4.640 -0.000 0.000 0.231 266 D C 0.949 177.271 176.300 0.037 0.000 1.229 266 D CA 0.442 54.462 54.000 0.032 0.000 0.828 266 D CB 0.102 40.918 40.800 0.026 0.000 1.035 266 D HN 0.842 nan 8.370 nan 0.000 0.495 267 G N 0.433 109.261 108.800 0.047 0.000 2.194 267 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 267 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 267 G C -0.044 174.895 174.900 0.066 0.000 0.987 267 G CA 0.169 45.299 45.100 0.049 0.000 0.635 267 G HN 0.719 nan 8.290 nan 0.000 0.520 268 Q N -0.822 119.026 119.800 0.080 0.000 2.331 268 Q HA 0.725 5.065 4.340 -0.000 0.000 0.272 268 Q C -0.784 175.309 176.000 0.155 0.000 1.062 268 Q CA -1.326 54.538 55.803 0.102 0.000 0.806 268 Q CB 1.983 30.758 28.738 0.061 0.000 1.312 268 Q HN 0.616 nan 8.270 nan 0.000 0.431 269 F N 3.313 123.277 119.950 0.024 0.000 2.420 269 F HA 0.483 5.010 4.527 -0.000 0.000 0.352 269 F C -0.800 175.014 175.800 0.024 0.000 1.108 269 F CA -0.851 57.160 58.000 0.018 0.000 1.162 269 F CB 0.832 39.840 39.000 0.015 0.000 1.118 269 F HN 0.525 nan 8.300 nan 0.000 0.510 270 R N 8.054 128.244 120.500 -0.518 0.000 2.295 270 R HA 0.223 4.563 4.340 -0.000 0.000 0.324 270 R C 0.557 176.284 176.300 -0.955 0.000 0.968 270 R CA -0.578 55.177 56.100 -0.575 0.000 0.837 270 R CB 1.124 31.311 30.300 -0.188 0.000 1.133 270 R HN 0.998 nan 8.270 nan 0.000 0.450 271 M N 1.742 120.746 119.600 -0.992 0.000 2.541 271 M HA 0.110 4.590 4.480 -0.000 0.000 0.252 271 M C -0.817 175.062 176.300 -0.702 0.000 1.125 271 M CA 1.162 55.955 55.300 -0.846 0.000 1.091 271 M CB 0.475 32.599 32.600 -0.794 0.000 1.420 271 M HN 0.488 nan 8.290 nan 0.000 0.486 272 Y N -0.455 119.746 120.300 -0.165 0.000 2.553 272 Y HA 0.708 5.258 4.550 -0.000 0.000 0.347 272 Y C -0.658 175.192 175.900 -0.084 0.000 1.019 272 Y CA -1.186 56.865 58.100 -0.081 0.000 1.032 272 Y CB 1.816 40.249 38.460 -0.044 0.000 1.284 272 Y HN -0.021 nan 8.280 nan 0.000 0.466 273 A N 1.480 124.360 122.820 0.100 0.000 2.518 273 A HA 0.613 4.933 4.320 -0.000 0.000 0.295 273 A C 0.061 177.642 177.584 -0.006 0.000 1.052 273 A CA -0.190 51.862 52.037 0.024 0.000 0.824 273 A CB 0.308 19.303 19.000 -0.009 0.000 1.325 273 A HN 1.786 nan 8.150 nan 0.000 0.394 274 G N 1.426 110.218 108.800 -0.014 0.000 2.578 274 G HA2 0.474 4.434 3.960 -0.000 0.000 0.275 274 G HA3 0.474 4.434 3.960 -0.000 0.000 0.275 274 G C 1.453 176.325 174.900 -0.046 0.000 1.271 274 G CA 1.264 46.342 45.100 -0.036 0.000 0.941 274 G HN 3.231 nan 8.290 nan 0.000 0.564 275 G N -3.805 104.944 108.800 -0.085 0.000 2.619 275 G HA2 0.391 4.351 3.960 -0.000 0.000 0.686 275 G HA3 0.391 4.351 3.960 -0.000 0.000 0.686 275 G C -0.137 174.698 174.900 -0.109 0.000 1.256 275 G CA 0.382 45.406 45.100 -0.126 0.000 0.826 275 G HN 1.909 nan 8.290 nan 0.000 0.619 276 T N 2.072 116.515 114.554 -0.185 0.000 2.829 276 T HA 0.462 4.812 4.350 -0.000 0.000 0.293 276 T C 1.486 176.204 174.700 0.029 0.000 0.970 276 T CA 1.005 63.046 62.100 -0.097 0.000 1.168 276 T CB -0.011 68.746 68.868 -0.184 0.000 0.911 276 T HN 1.365 nan 8.240 nan 0.000 0.535 277 T N 2.510 117.061 114.554 -0.006 0.000 2.802 277 T HA 0.116 4.466 4.350 -0.000 0.000 0.305 277 T C 1.402 176.063 174.700 -0.065 0.000 1.053 277 T CA -0.562 61.521 62.100 -0.028 0.000 1.058 277 T CB 0.761 69.595 68.868 -0.057 0.000 0.988 277 T HN 0.620 nan 8.240 nan 0.000 0.539 278 Q N 0.526 120.231 119.800 -0.159 0.000 2.083 278 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 278 Q C 2.246 177.982 176.000 -0.440 0.000 0.969 278 Q CA 1.522 57.062 55.803 -0.439 0.000 0.838 278 Q CB -0.224 28.250 28.738 -0.440 0.000 0.900 278 Q HN 0.814 nan 8.270 nan 0.000 0.436 279 E N 1.593 121.648 120.200 -0.242 0.000 2.130 279 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 279 E C 1.657 178.163 176.600 -0.156 0.000 0.998 279 E CA 1.240 57.534 56.400 -0.178 0.000 0.806 279 E CB -0.132 29.502 29.700 -0.110 0.000 0.738 279 E HN 0.373 nan 8.360 nan 0.000 0.459 280 E N -0.261 119.866 120.200 -0.122 0.000 2.085 280 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 280 E C 1.900 178.461 176.600 -0.065 0.000 0.994 280 E CA 1.099 57.457 56.400 -0.071 0.000 0.801 280 E CB -0.028 29.657 29.700 -0.025 0.000 0.743 280 E HN 0.205 nan 8.360 nan 0.000 0.453 281 M N 0.568 120.106 119.600 -0.104 0.000 2.077 281 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 281 M C 2.012 178.254 176.300 -0.098 0.000 1.070 281 M CA 1.560 56.827 55.300 -0.054 0.000 1.125 281 M CB -0.635 31.876 32.600 -0.148 0.000 1.339 281 M HN -0.036 nan 8.290 nan 0.000 0.409 282 K N -0.093 120.188 120.400 -0.199 0.000 2.059 282 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 282 K C 1.821 178.344 176.600 -0.129 0.000 1.050 282 K CA 1.710 57.936 56.287 -0.101 0.000 0.927 282 K CB -0.322 32.110 32.500 -0.112 0.000 0.714 282 K HN 0.411 nan 8.250 nan 0.000 0.447 283 D N 0.089 120.403 120.400 -0.144 0.000 2.183 283 D HA -0.076 4.564 4.640 -0.000 0.000 0.203 283 D C 1.809 177.970 176.300 -0.231 0.000 0.969 283 D CA 0.814 54.722 54.000 -0.153 0.000 0.842 283 D CB 0.148 40.883 40.800 -0.109 0.000 0.957 283 D HN 0.142 nan 8.370 nan 0.000 0.484 284 A N 1.901 124.565 122.820 -0.260 0.000 1.968 284 A HA -0.244 4.076 4.320 -0.000 0.000 0.227 284 A C -0.348 176.873 177.584 -0.605 0.000 1.381 284 A CA 2.383 54.193 52.037 -0.378 0.000 0.697 284 A CB -2.035 16.701 19.000 -0.439 0.000 0.836 284 A HN 0.309 nan 8.150 nan 0.000 0.497 285 P HA -0.168 nan 4.420 nan 0.000 0.217 285 P C 0.681 177.899 177.300 -0.136 0.000 1.148 285 P CA 1.683 64.313 63.100 -0.784 0.000 0.834 285 P CB -0.422 30.843 31.700 -0.726 0.000 0.783 286 N N -0.908 117.699 118.700 -0.156 0.000 2.571 286 N HA 0.078 4.818 4.740 -0.000 0.000 0.189 286 N C 0.437 175.909 175.510 -0.064 0.000 1.154 286 N CA -0.449 52.552 53.050 -0.082 0.000 0.907 286 N CB -0.123 38.312 38.487 -0.087 0.000 0.977 286 N HN 0.134 nan 8.380 nan 0.000 0.449 287 A N 0.593 123.401 122.820 -0.020 0.000 2.425 287 A HA 0.128 4.448 4.320 -0.000 0.000 0.249 287 A C 1.299 178.788 177.584 -0.159 0.000 1.084 287 A CA -0.342 51.691 52.037 -0.007 0.000 0.781 287 A CB 0.355 19.432 19.000 0.128 0.000 1.019 287 A HN 0.223 nan 8.150 nan 0.000 0.490 288 L N 1.131 122.283 121.223 -0.119 0.000 2.103 288 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 288 L C 1.187 177.907 176.870 -0.250 0.000 1.080 288 L CA 1.732 56.477 54.840 -0.158 0.000 0.764 288 L CB -0.129 41.884 42.059 -0.077 0.000 0.890 288 L HN 0.895 nan 8.230 nan 0.000 0.435 289 N N -2.715 115.886 118.700 -0.165 0.000 3.356 289 N HA 0.145 4.885 4.740 -0.000 0.000 0.246 289 N C -1.443 174.244 175.510 0.296 0.000 1.480 289 N CA -0.373 52.653 53.050 -0.040 0.000 0.877 289 N CB 1.665 40.151 38.487 -0.003 0.000 1.431 289 N HN -0.386 nan 8.380 nan 0.000 0.500 290 T N 0.631 115.430 114.554 0.408 0.000 2.890 290 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 290 T C -0.851 173.971 174.700 0.202 0.000 0.993 290 T CA -0.300 62.017 62.100 0.362 0.000 0.979 290 T CB 1.028 70.157 68.868 0.436 0.000 0.967 290 T HN 0.196 nan 8.240 nan 0.000 0.441 291 V N 5.598 125.609 119.914 0.161 0.000 2.427 291 V HA 0.479 4.599 4.120 -0.000 0.000 0.286 291 V C -0.079 176.067 176.094 0.087 0.000 1.034 291 V CA -0.847 61.520 62.300 0.112 0.000 0.893 291 V CB 1.401 33.303 31.823 0.131 0.000 0.982 291 V HN 0.704 nan 8.190 nan 0.000 0.452 292 L N 5.585 126.823 121.223 0.025 0.000 2.262 292 L HA 0.385 4.725 4.340 -0.000 0.000 0.288 292 L C 1.103 177.933 176.870 -0.066 0.000 1.035 292 L CA -0.386 54.423 54.840 -0.052 0.000 0.820 292 L CB 1.229 43.222 42.059 -0.110 0.000 1.204 292 L HN 0.612 nan 8.230 nan 0.000 0.424 293 L N 2.207 123.376 121.223 -0.090 0.000 2.046 293 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 293 L C 0.880 177.666 176.870 -0.140 0.000 1.077 293 L CA 1.537 56.305 54.840 -0.119 0.000 0.747 293 L CB -0.089 41.876 42.059 -0.157 0.000 0.896 293 L HN 0.721 nan 8.230 nan 0.000 0.432 294 Q N -0.373 119.296 119.800 -0.219 0.000 2.849 294 Q HA 0.157 4.497 4.340 -0.000 0.000 0.289 294 Q C -1.664 174.135 176.000 -0.334 0.000 1.012 294 Q CA -1.516 54.160 55.803 -0.211 0.000 0.899 294 Q CB 1.195 29.806 28.738 -0.211 0.000 1.235 294 Q HN 0.118 nan 8.270 nan 0.000 0.457 295 P HA -0.220 nan 4.420 nan 0.000 0.214 295 P C 0.557 177.698 177.300 -0.265 0.000 1.163 295 P CA 1.329 64.263 63.100 -0.277 0.000 0.889 295 P CB 0.021 31.531 31.700 -0.318 0.000 0.790 296 W N 0.753 122.031 121.300 -0.036 0.000 2.431 296 W HA -0.148 4.512 4.660 -0.000 0.000 0.266 296 W C 1.646 178.200 176.519 0.058 0.000 1.196 296 W CA 1.336 58.710 57.345 0.047 0.000 1.152 296 W CB -0.774 28.763 29.460 0.128 0.000 1.138 296 W HN 0.373 nan 8.180 nan 0.000 0.588 297 H N -3.102 116.010 119.070 0.070 0.000 3.038 297 H HA 0.329 4.885 4.556 -0.000 0.000 0.223 297 H C -0.111 175.214 175.328 -0.005 0.000 1.400 297 H CA -0.291 55.768 56.048 0.018 0.000 1.153 297 H CB -0.578 29.162 29.762 -0.036 0.000 2.234 297 H HN 0.220 nan 8.280 nan 0.000 0.541 298 L N 0.603 121.756 121.223 -0.117 0.000 3.573 298 L HA 0.181 4.521 4.340 -0.000 0.000 0.335 298 L C 1.322 178.161 176.870 -0.052 0.000 1.321 298 L CA 0.019 54.799 54.840 -0.099 0.000 1.009 298 L CB 0.781 42.708 42.059 -0.220 0.000 1.417 298 L HN 0.142 nan 8.230 nan 0.000 0.619 299 E N 1.091 121.269 120.200 -0.038 0.000 2.085 299 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 299 E C 1.706 178.305 176.600 -0.001 0.000 0.994 299 E CA 1.238 57.614 56.400 -0.039 0.000 0.801 299 E CB 0.127 29.811 29.700 -0.027 0.000 0.743 299 E HN 0.307 nan 8.360 nan 0.000 0.453 300 K N 0.470 120.887 120.400 0.028 0.000 2.442 300 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 300 K C 1.642 178.276 176.600 0.057 0.000 1.042 300 K CA 1.109 57.419 56.287 0.038 0.000 0.958 300 K CB 0.203 32.726 32.500 0.038 0.000 0.766 300 K HN -0.026 nan 8.250 nan 0.000 0.474 301 T N 0.044 114.639 114.554 0.068 0.000 3.004 301 T HA -0.008 4.342 4.350 -0.000 0.000 0.243 301 T C 1.503 176.233 174.700 0.050 0.000 1.020 301 T CA 0.549 62.713 62.100 0.107 0.000 1.145 301 T CB 0.042 68.997 68.868 0.144 0.000 0.876 301 T HN 0.224 nan 8.240 nan 0.000 0.449 302 K N 1.585 121.984 120.400 -0.000 0.000 2.032 302 K HA -0.176 4.143 4.320 -0.000 0.000 0.209 302 K C 2.265 178.845 176.600 -0.032 0.000 1.048 302 K CA 1.489 57.757 56.287 -0.032 0.000 0.927 302 K CB -0.094 32.370 32.500 -0.060 0.000 0.712 302 K HN 0.159 nan 8.250 nan 0.000 0.441 303 K N 0.038 120.432 120.400 -0.010 0.000 1.977 303 K HA -0.237 4.083 4.320 -0.000 0.000 0.218 303 K C 2.060 178.648 176.600 -0.021 0.000 1.051 303 K CA 2.077 58.360 56.287 -0.007 0.000 0.953 303 K CB -0.482 32.029 32.500 0.019 0.000 0.727 303 K HN 0.150 nan 8.250 nan 0.000 0.445 304 F N 1.542 121.408 119.950 -0.141 0.000 2.087 304 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 304 F C 1.937 177.534 175.800 -0.337 0.000 1.100 304 F CA 1.801 59.671 58.000 -0.217 0.000 1.226 304 F CB -0.531 38.316 39.000 -0.254 0.000 0.983 304 F HN -0.088 nan 8.300 nan 0.000 0.479 305 V N 0.549 120.254 119.914 -0.348 0.000 2.255 305 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 305 V C 2.326 178.239 176.094 -0.302 0.000 1.051 305 V CA 2.484 64.466 62.300 -0.530 0.000 1.018 305 V CB -0.776 30.885 31.823 -0.270 0.000 0.641 305 V HN 0.393 nan 8.190 nan 0.000 0.445 306 E N 0.105 120.216 120.200 -0.147 0.000 2.072 306 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 306 E C 2.335 178.879 176.600 -0.094 0.000 0.985 306 E CA 1.176 57.542 56.400 -0.057 0.000 0.801 306 E CB -0.528 29.156 29.700 -0.027 0.000 0.750 306 E HN 0.645 nan 8.360 nan 0.000 0.452 307 G N 0.465 109.173 108.800 -0.154 0.000 2.418 307 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 307 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 307 G C 1.580 176.357 174.900 -0.206 0.000 1.158 307 G CA 1.426 46.435 45.100 -0.151 0.000 0.771 307 G HN 0.179 nan 8.290 nan 0.000 0.545 308 T N -0.649 113.648 114.554 -0.428 0.000 3.115 308 T HA 0.022 4.372 4.350 -0.000 0.000 0.235 308 T C 1.920 176.561 174.700 -0.098 0.000 0.999 308 T CA 0.505 62.377 62.100 -0.379 0.000 1.276 308 T CB -0.215 68.139 68.868 -0.856 0.000 0.967 308 T HN 0.326 nan 8.240 nan 0.000 0.420 309 W N 2.334 123.391 121.300 -0.405 0.000 2.359 309 W HA 0.062 4.722 4.660 -0.000 0.000 0.275 309 W C 0.684 177.204 176.519 0.001 0.000 1.217 309 W CA 0.428 57.632 57.345 -0.235 0.000 1.196 309 W CB -0.688 28.465 29.460 -0.512 0.000 1.129 309 W HN 0.282 nan 8.180 nan 0.000 0.566 310 K N -0.440 120.062 120.400 0.169 0.000 3.125 310 K HA -0.233 4.087 4.320 -0.000 0.000 0.268 310 K C -0.293 176.483 176.600 0.293 0.000 1.078 310 K CA 0.816 57.203 56.287 0.167 0.000 0.775 310 K CB -2.459 30.116 32.500 0.124 0.000 1.253 310 K HN 0.450 nan 8.250 nan 0.000 0.486 311 H N 0.415 119.545 119.070 0.100 0.000 2.483 311 H HA 0.241 4.797 4.556 -0.000 0.000 0.338 311 H C 0.238 175.597 175.328 0.050 0.000 1.152 311 H CA -0.702 55.404 56.048 0.096 0.000 1.264 311 H CB 1.082 30.943 29.762 0.165 0.000 1.510 311 H HN 0.052 nan 8.280 nan 0.000 0.530 312 E N 2.264 122.551 120.200 0.145 0.000 2.069 312 E HA 0.126 4.476 4.350 -0.000 0.000 0.254 312 E C -0.592 176.048 176.600 0.067 0.000 1.088 312 E CA -0.416 56.027 56.400 0.072 0.000 1.017 312 E CB 0.664 30.382 29.700 0.029 0.000 1.226 312 E HN 0.239 nan 8.360 nan 0.000 0.458 313 V N 5.177 125.137 119.914 0.078 0.000 2.557 313 V HA 0.004 4.124 4.120 -0.000 0.000 0.301 313 V C -1.284 174.815 176.094 0.008 0.000 1.026 313 V CA -0.801 61.530 62.300 0.053 0.000 1.137 313 V CB -0.191 31.652 31.823 0.034 0.000 0.917 313 V HN 0.496 nan 8.190 nan 0.000 0.484 314 P HA 0.159 nan 4.420 nan 0.000 0.274 314 P C -0.672 176.599 177.300 -0.048 0.000 1.246 314 P CA -0.716 62.370 63.100 -0.024 0.000 0.795 314 P CB 0.916 32.601 31.700 -0.025 0.000 1.006 315 K N 2.109 122.474 120.400 -0.058 0.000 2.222 315 K HA 0.299 4.619 4.320 -0.000 0.000 0.243 315 K C -0.626 175.915 176.600 -0.099 0.000 1.160 315 K CA -0.280 55.954 56.287 -0.089 0.000 1.090 315 K CB -0.719 31.738 32.500 -0.072 0.000 1.694 315 K HN 0.431 nan 8.250 nan 0.000 0.361 316 L N 2.002 123.163 121.223 -0.104 0.000 2.330 316 L HA 0.414 4.754 4.340 -0.000 0.000 0.271 316 L C 0.179 176.933 176.870 -0.193 0.000 1.013 316 L CA -1.127 53.649 54.840 -0.107 0.000 0.816 316 L CB 1.650 43.712 42.059 0.005 0.000 1.287 316 L HN 0.446 nan 8.230 nan 0.000 0.435 317 N N 1.181 119.683 118.700 -0.330 0.000 2.472 317 N HA 0.370 5.110 4.740 -0.000 0.000 0.289 317 N C -0.463 174.916 175.510 -0.219 0.000 1.156 317 N CA -0.616 52.139 53.050 -0.492 0.000 0.940 317 N CB 2.407 40.015 38.487 -1.466 0.000 1.200 317 N HN 0.527 nan 8.380 nan 0.000 0.511 318 I N 3.127 123.650 120.570 -0.079 0.000 2.828 318 I HA -0.019 4.151 4.170 -0.000 0.000 0.292 318 I C -1.640 174.537 176.117 0.100 0.000 1.206 318 I CA -0.862 60.453 61.300 0.026 0.000 1.420 318 I CB 0.591 38.667 38.000 0.127 0.000 1.368 318 I HN 0.253 nan 8.210 nan 0.000 0.556 319 P HA 0.046 nan 4.420 nan 0.000 0.252 319 P C -1.063 176.222 177.300 -0.025 0.000 1.635 319 P CA 0.529 63.590 63.100 -0.065 0.000 1.206 319 P CB -0.144 31.265 31.700 -0.485 0.000 1.911 320 M N 1.549 121.225 119.600 0.126 0.000 2.464 320 M HA 0.617 5.097 4.480 -0.000 0.000 0.308 320 M C 0.484 176.710 176.300 -0.124 0.000 1.127 320 M CA -0.173 55.114 55.300 -0.021 0.000 0.913 320 M CB 2.711 35.328 32.600 0.027 0.000 1.689 320 M HN 0.351 nan 8.290 nan 0.000 0.445 321 G N 1.042 109.576 108.800 -0.444 0.000 2.781 321 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.683 321 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.683 321 G C -0.264 174.544 174.900 -0.153 0.000 1.390 321 G CA -0.308 44.442 45.100 -0.583 0.000 0.850 321 G HN 0.768 nan 8.290 nan 0.000 0.557 322 L N 0.516 121.729 121.223 -0.015 0.000 1.933 322 L HA -0.008 4.332 4.340 -0.000 0.000 0.220 322 L C 2.548 179.498 176.870 0.134 0.000 1.078 322 L CA 3.132 58.013 54.840 0.068 0.000 0.773 322 L CB -1.024 41.064 42.059 0.048 0.000 0.890 322 L HN 0.761 nan 8.230 nan 0.000 0.434 323 D N -0.825 119.616 120.400 0.069 0.000 2.242 323 D HA -0.285 4.355 4.640 -0.000 0.000 0.193 323 D C 2.001 178.459 176.300 0.264 0.000 1.005 323 D CA 2.163 56.227 54.000 0.108 0.000 0.856 323 D CB -0.632 40.168 40.800 0.000 0.000 1.001 323 D HN 0.468 nan 8.370 nan 0.000 0.452 324 W N 1.125 122.487 121.300 0.102 0.000 2.304 324 W HA -0.152 4.508 4.660 -0.000 0.000 0.315 324 W C 2.719 179.305 176.519 0.112 0.000 1.233 324 W CA 1.194 58.597 57.345 0.097 0.000 1.261 324 W CB -1.713 27.790 29.460 0.073 0.000 1.150 324 W HN 0.030 nan 8.180 nan 0.000 0.494 325 T N 0.317 115.059 114.554 0.314 0.000 2.778 325 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 325 T C 1.222 176.059 174.700 0.228 0.000 1.050 325 T CA 1.895 64.100 62.100 0.176 0.000 1.137 325 T CB -0.369 68.516 68.868 0.028 0.000 0.860 325 T HN 0.062 nan 8.240 nan 0.000 0.468 326 D N 1.161 121.745 120.400 0.307 0.000 2.077 326 D HA -0.078 4.562 4.640 -0.000 0.000 0.193 326 D C 2.213 178.636 176.300 0.204 0.000 0.989 326 D CA 1.090 55.252 54.000 0.270 0.000 0.831 326 D CB -0.410 40.530 40.800 0.233 0.000 0.979 326 D HN 0.480 nan 8.370 nan 0.000 0.449 327 E N -0.211 120.118 120.200 0.215 0.000 2.169 327 E HA -0.228 4.122 4.350 -0.000 0.000 0.202 327 E C 1.957 178.638 176.600 0.135 0.000 1.016 327 E CA 0.857 57.354 56.400 0.162 0.000 0.817 327 E CB -0.259 29.548 29.700 0.178 0.000 0.736 327 E HN 0.236 nan 8.360 nan 0.000 0.462 328 F N 1.230 121.202 119.950 0.036 0.000 2.031 328 F HA -0.199 4.328 4.527 -0.000 0.000 0.295 328 F C 1.993 177.782 175.800 -0.019 0.000 1.133 328 F CA 1.455 59.450 58.000 -0.009 0.000 1.188 328 F CB -0.373 38.610 39.000 -0.029 0.000 0.974 328 F HN -0.099 nan 8.300 nan 0.000 0.473 329 L N -0.132 121.124 121.223 0.054 0.000 2.021 329 L HA -0.335 4.005 4.340 -0.000 0.000 0.215 329 L C 2.602 179.402 176.870 -0.117 0.000 1.074 329 L CA 1.957 56.752 54.840 -0.074 0.000 0.760 329 L CB -0.871 41.210 42.059 0.036 0.000 0.889 329 L HN 0.327 nan 8.230 nan 0.000 0.433 330 M N -0.406 119.171 119.600 -0.038 0.000 2.084 330 M HA -0.251 4.229 4.480 -0.000 0.000 0.259 330 M C 2.407 178.655 176.300 -0.086 0.000 1.072 330 M CA 1.793 57.073 55.300 -0.034 0.000 1.107 330 M CB -0.560 32.048 32.600 0.012 0.000 1.299 330 M HN 0.007 nan 8.290 nan 0.000 0.413 331 K N 0.611 120.946 120.400 -0.107 0.000 2.127 331 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 331 K C 1.570 178.059 176.600 -0.185 0.000 1.047 331 K CA 1.384 57.594 56.287 -0.127 0.000 0.927 331 K CB -0.675 31.750 32.500 -0.126 0.000 0.716 331 K HN 0.182 nan 8.250 nan 0.000 0.450 332 V N 0.007 119.735 119.914 -0.311 0.000 2.295 332 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 332 V C 2.352 178.349 176.094 -0.163 0.000 1.049 332 V CA 2.015 64.128 62.300 -0.312 0.000 1.024 332 V CB -0.718 30.818 31.823 -0.478 0.000 0.648 332 V HN 0.531 nan 8.190 nan 0.000 0.447 333 S N -0.373 115.251 115.700 -0.127 0.000 2.398 333 S HA -0.345 4.125 4.470 -0.000 0.000 0.220 333 S C 2.098 176.664 174.600 -0.058 0.000 1.038 333 S CA 2.330 60.488 58.200 -0.069 0.000 1.080 333 S CB -0.569 62.605 63.200 -0.044 0.000 1.039 333 S HN 0.688 nan 8.310 nan 0.000 0.419 334 E N 0.157 120.325 120.200 -0.054 0.000 2.217 334 E HA -0.257 4.093 4.350 -0.000 0.000 0.219 334 E C 1.991 178.564 176.600 -0.045 0.000 1.070 334 E CA 2.185 58.559 56.400 -0.042 0.000 0.889 334 E CB -0.424 29.252 29.700 -0.042 0.000 0.768 334 E HN 0.729 nan 8.360 nan 0.000 0.465 335 I N 0.431 120.965 120.570 -0.059 0.000 2.110 335 I HA -0.261 3.908 4.170 -0.000 0.000 0.236 335 I C 2.812 178.902 176.117 -0.044 0.000 1.068 335 I CA 1.422 62.691 61.300 -0.053 0.000 1.333 335 I CB -0.512 37.450 38.000 -0.063 0.000 1.054 335 I HN 0.217 nan 8.210 nan 0.000 0.402 336 S N 0.603 116.276 115.700 -0.045 0.000 2.402 336 S HA -0.010 4.460 4.470 -0.000 0.000 0.229 336 S C 1.786 176.371 174.600 -0.024 0.000 1.021 336 S CA 0.759 58.941 58.200 -0.030 0.000 0.974 336 S CB -0.301 62.885 63.200 -0.024 0.000 0.800 336 S HN 0.697 nan 8.310 nan 0.000 0.484 337 G N 0.586 109.370 108.800 -0.026 0.000 2.132 337 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.228 337 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.228 337 G C -0.319 174.574 174.900 -0.013 0.000 1.000 337 G CA -0.004 45.085 45.100 -0.019 0.000 0.693 337 G HN 0.543 nan 8.290 nan 0.000 0.515 338 Q N 0.593 120.385 119.800 -0.014 0.000 2.307 338 Q HA 0.447 4.786 4.340 -0.000 0.000 0.262 338 Q C -2.195 173.802 176.000 -0.005 0.000 0.961 338 Q CA -1.830 53.970 55.803 -0.006 0.000 0.882 338 Q CB 2.504 31.241 28.738 -0.002 0.000 1.264 338 Q HN 0.392 nan 8.270 nan 0.000 0.446 339 P HA 0.171 nan 4.420 nan 0.000 0.272 339 P C -0.096 177.211 177.300 0.011 0.000 1.223 339 P CA -0.245 62.858 63.100 0.006 0.000 0.784 339 P CB 1.026 32.731 31.700 0.008 0.000 0.923 340 I N 4.142 124.722 120.570 0.017 0.000 2.494 340 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 340 I C -1.279 174.859 176.117 0.036 0.000 1.106 340 I CA -1.652 59.665 61.300 0.029 0.000 1.369 340 I CB 0.093 38.120 38.000 0.044 0.000 1.410 340 I HN 0.224 nan 8.210 nan 0.000 0.523 341 P HA 0.001 nan 4.420 nan 0.000 0.266 341 P C 0.587 177.913 177.300 0.043 0.000 1.195 341 P CA -0.129 62.992 63.100 0.035 0.000 0.768 341 P CB 1.119 32.839 31.700 0.034 0.000 0.838 342 A N 3.651 126.492 122.820 0.035 0.000 1.940 342 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 342 A C 2.321 179.932 177.584 0.044 0.000 1.190 342 A CA 2.536 54.594 52.037 0.036 0.000 0.647 342 A CB -1.686 17.329 19.000 0.026 0.000 0.821 342 A HN 0.641 nan 8.150 nan 0.000 0.457 343 S N 0.118 115.844 115.700 0.043 0.000 2.389 343 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 343 S C 1.818 176.462 174.600 0.072 0.000 1.048 343 S CA 1.827 60.056 58.200 0.049 0.000 1.117 343 S CB -0.743 62.484 63.200 0.044 0.000 1.020 343 S HN 0.530 nan 8.310 nan 0.000 0.430 344 L N 1.019 122.296 121.223 0.090 0.000 2.083 344 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 344 L C 2.727 179.702 176.870 0.175 0.000 1.083 344 L CA 1.302 56.234 54.840 0.152 0.000 0.752 344 L CB -1.322 40.819 42.059 0.136 0.000 0.899 344 L HN 0.368 nan 8.230 nan 0.000 0.433 345 T N -0.589 114.033 114.554 0.113 0.000 2.778 345 T HA -0.263 4.087 4.350 -0.000 0.000 0.269 345 T C 1.935 176.663 174.700 0.047 0.000 1.050 345 T CA 1.556 63.705 62.100 0.082 0.000 1.137 345 T CB -0.068 68.832 68.868 0.054 0.000 0.860 345 T HN 0.260 nan 8.240 nan 0.000 0.468 346 K N 0.664 121.093 120.400 0.048 0.000 2.044 346 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 346 K C 2.400 179.011 176.600 0.018 0.000 1.049 346 K CA 0.936 57.238 56.287 0.024 0.000 0.945 346 K CB -0.041 32.475 32.500 0.027 0.000 0.724 346 K HN 0.317 nan 8.250 nan 0.000 0.440 347 E N 0.827 121.065 120.200 0.064 0.000 2.065 347 E HA -0.323 4.027 4.350 -0.000 0.000 0.201 347 E C 2.083 178.665 176.600 -0.031 0.000 1.016 347 E CA 1.651 58.098 56.400 0.078 0.000 0.818 347 E CB -0.037 29.783 29.700 0.200 0.000 0.749 347 E HN 0.194 nan 8.360 nan 0.000 0.453 348 R N -0.371 120.056 120.500 -0.120 0.000 2.127 348 R HA -0.184 4.156 4.340 -0.000 0.000 0.228 348 R C 2.480 178.618 176.300 -0.269 0.000 1.125 348 R CA 2.142 57.926 56.100 -0.527 0.000 0.904 348 R CB -1.047 28.985 30.300 -0.445 0.000 0.831 348 R HN 0.313 nan 8.270 nan 0.000 0.431 349 G N 0.459 109.176 108.800 -0.139 0.000 2.661 349 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.224 349 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.224 349 G C 1.474 176.331 174.900 -0.073 0.000 1.114 349 G CA 1.453 46.502 45.100 -0.086 0.000 0.751 349 G HN 0.428 nan 8.290 nan 0.000 0.609 350 R N -0.667 119.794 120.500 -0.065 0.000 2.073 350 R HA 0.073 4.413 4.340 -0.000 0.000 0.229 350 R C 2.496 178.768 176.300 -0.046 0.000 1.120 350 R CA 1.039 57.115 56.100 -0.039 0.000 0.967 350 R CB -0.556 29.734 30.300 -0.017 0.000 0.862 350 R HN 0.397 nan 8.270 nan 0.000 0.436 351 L N 1.001 122.170 121.223 -0.089 0.000 2.079 351 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 351 L C 1.932 178.774 176.870 -0.047 0.000 1.081 351 L CA 1.634 56.430 54.840 -0.074 0.000 0.752 351 L CB -0.337 41.619 42.059 -0.171 0.000 0.896 351 L HN -0.085 nan 8.230 nan 0.000 0.433 352 V N 0.056 119.923 119.914 -0.079 0.000 2.270 352 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 352 V C 2.355 178.434 176.094 -0.026 0.000 1.043 352 V CA 1.846 64.115 62.300 -0.051 0.000 1.014 352 V CB -0.763 31.020 31.823 -0.067 0.000 0.645 352 V HN 0.605 nan 8.190 nan 0.000 0.447 353 D N -0.093 120.292 120.400 -0.025 0.000 2.177 353 D HA -0.293 4.347 4.640 -0.000 0.000 0.189 353 D C 2.162 178.470 176.300 0.013 0.000 1.002 353 D CA 2.555 56.551 54.000 -0.007 0.000 0.845 353 D CB -0.237 40.560 40.800 -0.005 0.000 0.960 353 D HN 0.342 nan 8.370 nan 0.000 0.447 354 M N -0.780 118.831 119.600 0.019 0.000 2.151 354 M HA -0.290 4.190 4.480 -0.000 0.000 0.256 354 M C 2.533 178.867 176.300 0.055 0.000 1.072 354 M CA 1.918 57.242 55.300 0.040 0.000 1.090 354 M CB -0.437 32.189 32.600 0.043 0.000 1.294 354 M HN 0.219 nan 8.290 nan 0.000 0.415 355 M N -0.271 119.356 119.600 0.046 0.000 2.088 355 M HA -0.255 4.225 4.480 -0.000 0.000 0.256 355 M C 2.438 178.776 176.300 0.064 0.000 1.071 355 M CA 2.645 57.971 55.300 0.044 0.000 1.097 355 M CB -0.927 31.682 32.600 0.015 0.000 1.315 355 M HN 0.571 nan 8.290 nan 0.000 0.406 356 T N -2.403 112.164 114.554 0.022 0.000 2.821 356 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 356 T C 1.361 176.164 174.700 0.171 0.000 1.046 356 T CA 1.741 63.852 62.100 0.017 0.000 1.139 356 T CB -0.585 68.256 68.868 -0.044 0.000 0.871 356 T HN 0.239 nan 8.240 nan 0.000 0.454 357 D N 2.032 122.497 120.400 0.107 0.000 2.221 357 D HA -0.042 4.598 4.640 -0.000 0.000 0.204 357 D C 1.434 177.814 176.300 0.133 0.000 0.982 357 D CA 1.620 55.683 54.000 0.106 0.000 0.857 357 D CB -0.153 40.690 40.800 0.071 0.000 0.934 357 D HN 0.707 nan 8.370 nan 0.000 0.475 358 S N -0.872 114.926 115.700 0.162 0.000 2.941 358 S HA 0.061 4.531 4.470 -0.000 0.000 0.248 358 S C 1.121 175.796 174.600 0.124 0.000 0.962 358 S CA -0.743 57.546 58.200 0.149 0.000 1.092 358 S CB -0.469 62.835 63.200 0.172 0.000 1.113 358 S HN 0.320 nan 8.310 nan 0.000 0.512 359 H N 1.711 120.793 119.070 0.019 0.000 2.333 359 H HA -0.085 4.471 4.556 -0.000 0.000 0.302 359 H C 2.033 177.371 175.328 0.017 0.000 1.075 359 H CA 1.977 58.031 56.048 0.010 0.000 1.348 359 H CB -1.713 28.037 29.762 -0.020 0.000 1.393 359 H HN 0.521 nan 8.280 nan 0.000 0.509 360 T N -1.333 112.637 114.554 -0.973 0.000 2.701 360 T HA -0.300 4.050 4.350 -0.000 0.000 0.265 360 T C 1.950 176.396 174.700 -0.423 0.000 1.032 360 T CA 2.000 63.643 62.100 -0.763 0.000 1.158 360 T CB -1.109 67.237 68.868 -0.871 0.000 0.854 360 T HN 0.600 nan 8.240 nan 0.000 0.463 361 W N 0.723 121.951 121.300 -0.119 0.000 2.494 361 W HA 0.415 5.075 4.660 -0.000 0.000 0.286 361 W C 2.386 178.916 176.519 0.018 0.000 1.218 361 W CA -0.447 56.877 57.345 -0.034 0.000 1.313 361 W CB -0.085 29.358 29.460 -0.028 0.000 1.105 361 W HN 0.183 nan 8.180 nan 0.000 0.561 362 L N -0.728 120.642 121.223 0.245 0.000 2.209 362 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 362 L C 1.497 178.449 176.870 0.136 0.000 1.094 362 L CA 0.346 55.298 54.840 0.186 0.000 0.790 362 L CB -0.909 41.217 42.059 0.112 0.000 0.932 362 L HN -0.025 nan 8.230 nan 0.000 0.447 363 H N 1.525 120.607 119.070 0.020 0.000 3.125 363 H HA -0.019 4.537 4.556 -0.000 0.000 0.310 363 H C 0.774 176.123 175.328 0.036 0.000 0.980 363 H CA 1.028 57.077 56.048 0.002 0.000 1.422 363 H CB 0.509 30.277 29.762 0.011 0.000 1.432 363 H HN 0.355 nan 8.280 nan 0.000 0.577 364 G N 5.144 113.673 108.800 -0.452 0.000 2.272 364 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.280 364 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.280 364 G C -0.255 174.593 174.900 -0.087 0.000 1.067 364 G CA 0.047 45.006 45.100 -0.235 0.000 0.902 364 G HN 0.578 nan 8.290 nan 0.000 0.500 365 K N 0.351 120.698 120.400 -0.089 0.000 2.339 365 K HA 0.338 4.658 4.320 -0.000 0.000 0.264 365 K C 0.691 177.091 176.600 -0.334 0.000 0.986 365 K CA -0.712 55.456 56.287 -0.197 0.000 0.866 365 K CB 1.253 33.653 32.500 -0.167 0.000 1.103 365 K HN 0.454 nan 8.250 nan 0.000 0.441 366 R N 2.551 122.848 120.500 -0.338 0.000 2.347 366 R HA 0.334 4.674 4.340 -0.000 0.000 0.304 366 R C -0.325 175.743 176.300 -0.386 0.000 1.072 366 R CA 0.007 55.954 56.100 -0.254 0.000 0.980 366 R CB 0.217 30.412 30.300 -0.175 0.000 0.986 366 R HN 0.282 nan 8.270 nan 0.000 0.448 367 F N 0.621 120.587 119.950 0.027 0.000 2.579 367 F HA 0.653 5.180 4.527 -0.000 0.000 0.324 367 F C 0.050 175.897 175.800 0.078 0.000 1.058 367 F CA -1.007 57.043 58.000 0.084 0.000 0.944 367 F CB 2.039 41.086 39.000 0.078 0.000 1.245 367 F HN 0.478 nan 8.300 nan 0.000 0.477 368 A N 2.688 125.732 122.820 0.374 0.000 2.343 368 A HA 0.896 5.216 4.320 -0.000 0.000 0.308 368 A C -1.487 176.338 177.584 0.401 0.000 1.092 368 A CA -0.530 51.727 52.037 0.367 0.000 0.751 368 A CB 1.020 20.255 19.000 0.393 0.000 1.203 368 A HN 0.781 nan 8.150 nan 0.000 0.452 369 L N -1.012 120.443 121.223 0.386 0.000 2.397 369 L HA 1.109 5.449 4.340 -0.000 0.000 0.251 369 L C -0.879 176.289 176.870 0.497 0.000 1.064 369 L CA -0.759 54.282 54.840 0.335 0.000 0.859 369 L CB 1.209 43.330 42.059 0.104 0.000 1.468 369 L HN 1.132 nan 8.230 nan 0.000 0.411 370 W N -0.884 120.520 121.300 0.172 0.000 3.057 370 W HA 0.875 5.535 4.660 -0.000 0.000 0.328 370 W C -0.490 176.185 176.519 0.261 0.000 1.232 370 W CA -0.078 57.385 57.345 0.197 0.000 1.187 370 W CB 0.315 29.880 29.460 0.174 0.000 1.417 370 W HN 1.174 nan 8.180 nan 0.000 0.569 371 G N 0.399 109.470 108.800 0.453 0.000 2.564 371 G HA2 0.215 4.175 3.960 -0.000 0.000 0.139 371 G HA3 0.215 4.175 3.960 -0.000 0.000 0.139 371 G C -1.555 173.521 174.900 0.293 0.000 1.147 371 G CA -0.389 44.944 45.100 0.387 0.000 1.031 371 G HN 0.648 nan 8.290 nan 0.000 0.482 372 D N 1.070 121.629 120.400 0.265 0.000 2.340 372 D HA 0.466 5.106 4.640 -0.000 0.000 0.251 372 D C -1.418 174.864 176.300 -0.029 0.000 1.080 372 D CA -1.220 52.809 54.000 0.047 0.000 0.971 372 D CB 1.793 42.587 40.800 -0.010 0.000 1.137 372 D HN -0.075 nan 8.370 nan 0.000 0.475 373 P HA -0.184 nan 4.420 nan 0.000 0.208 373 P C 0.421 177.773 177.300 0.087 0.000 1.180 373 P CA 1.577 64.348 63.100 -0.549 0.000 0.935 373 P CB 0.204 31.525 31.700 -0.632 0.000 0.785 374 D N -1.668 118.884 120.400 0.253 0.000 2.092 374 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 374 D C 1.690 178.189 176.300 0.331 0.000 0.994 374 D CA 1.024 55.245 54.000 0.368 0.000 0.828 374 D CB -0.934 40.069 40.800 0.337 0.000 0.963 374 D HN 0.067 nan 8.370 nan 0.000 0.450 375 F N 1.489 121.516 119.950 0.129 0.000 2.043 375 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 375 F C 2.102 177.981 175.800 0.131 0.000 1.121 375 F CA 1.197 59.245 58.000 0.080 0.000 1.199 375 F CB -0.723 38.276 39.000 -0.003 0.000 0.968 375 F HN -0.155 nan 8.300 nan 0.000 0.478 376 V N 2.226 122.128 119.914 -0.020 0.000 2.231 376 V HA -0.424 3.696 4.120 -0.000 0.000 0.248 376 V C 2.700 178.843 176.094 0.082 0.000 1.054 376 V CA 2.740 65.017 62.300 -0.038 0.000 1.015 376 V CB -0.999 30.983 31.823 0.265 0.000 0.638 376 V HN 0.661 nan 8.190 nan 0.000 0.444 377 M N 0.764 120.555 119.600 0.319 0.000 2.202 377 M HA -0.058 4.422 4.480 -0.000 0.000 0.262 377 M C 1.975 178.434 176.300 0.266 0.000 1.063 377 M CA 2.549 58.017 55.300 0.280 0.000 1.097 377 M CB -1.016 31.795 32.600 0.352 0.000 1.382 377 M HN 0.249 nan 8.290 nan 0.000 0.413 378 G N 1.024 109.997 108.800 0.288 0.000 2.408 378 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 378 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 378 G C 1.359 176.244 174.900 -0.025 0.000 1.150 378 G CA 0.631 45.883 45.100 0.255 0.000 0.776 378 G HN 0.406 nan 8.290 nan 0.000 0.542 379 L N 0.752 121.882 121.223 -0.156 0.000 2.056 379 L HA 0.033 4.373 4.340 -0.000 0.000 0.207 379 L C 2.995 179.783 176.870 -0.137 0.000 1.078 379 L CA 1.142 55.852 54.840 -0.217 0.000 0.749 379 L CB -0.454 41.315 42.059 -0.484 0.000 0.901 379 L HN 0.099 nan 8.230 nan 0.000 0.433 380 V N -0.350 119.499 119.914 -0.108 0.000 2.237 380 V HA -0.316 3.804 4.120 -0.000 0.000 0.245 380 V C 2.583 178.600 176.094 -0.129 0.000 1.046 380 V CA 1.984 64.233 62.300 -0.085 0.000 1.007 380 V CB -0.733 31.068 31.823 -0.036 0.000 0.638 380 V HN 0.430 nan 8.190 nan 0.000 0.445 381 K N 0.242 120.526 120.400 -0.194 0.000 2.034 381 K HA -0.265 4.054 4.320 -0.000 0.000 0.214 381 K C 1.949 178.397 176.600 -0.253 0.000 1.051 381 K CA 2.152 58.209 56.287 -0.383 0.000 0.931 381 K CB -0.759 31.107 32.500 -1.056 0.000 0.715 381 K HN 0.332 nan 8.250 nan 0.000 0.446 382 F N 0.766 120.506 119.950 -0.350 0.000 2.186 382 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 382 F C 1.651 177.323 175.800 -0.214 0.000 1.090 382 F CA 1.205 59.049 58.000 -0.261 0.000 1.307 382 F CB -0.402 38.474 39.000 -0.207 0.000 1.019 382 F HN 0.025 nan 8.300 nan 0.000 0.489 383 L N -0.414 120.623 121.223 -0.310 0.000 2.079 383 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 383 L C 2.454 179.134 176.870 -0.317 0.000 1.081 383 L CA 1.142 55.750 54.840 -0.387 0.000 0.752 383 L CB -0.684 41.219 42.059 -0.260 0.000 0.896 383 L HN 0.173 nan 8.230 nan 0.000 0.433 384 L N -0.778 120.312 121.223 -0.223 0.000 2.093 384 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 384 L C 2.379 179.115 176.870 -0.223 0.000 1.085 384 L CA 1.134 55.870 54.840 -0.172 0.000 0.755 384 L CB -0.589 41.421 42.059 -0.082 0.000 0.904 384 L HN 0.322 nan 8.230 nan 0.000 0.435 385 E N 0.308 120.377 120.200 -0.218 0.000 2.338 385 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 385 E C 2.087 178.536 176.600 -0.251 0.000 1.007 385 E CA 0.797 57.096 56.400 -0.168 0.000 0.849 385 E CB -0.005 29.665 29.700 -0.050 0.000 0.774 385 E HN 0.551 nan 8.360 nan 0.000 0.506 386 L N -0.705 120.281 121.223 -0.395 0.000 2.477 386 L HA 0.185 4.525 4.340 -0.000 0.000 0.220 386 L C 1.301 177.956 176.870 -0.357 0.000 1.106 386 L CA 0.416 55.031 54.840 -0.374 0.000 0.851 386 L CB 0.291 42.051 42.059 -0.498 0.000 0.994 386 L HN 0.252 nan 8.230 nan 0.000 0.462 387 G N -0.241 108.212 108.800 -0.578 0.000 2.167 387 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.194 387 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.194 387 G C -0.071 174.430 174.900 -0.666 0.000 1.027 387 G CA -0.248 44.227 45.100 -1.043 0.000 0.717 387 G HN 0.257 nan 8.290 nan 0.000 0.501 388 C N -0.160 118.930 119.300 -0.349 0.000 2.401 388 C HA 0.746 5.206 4.460 -0.000 0.000 0.356 388 C C 0.502 175.507 174.990 0.025 0.000 1.192 388 C CA -0.709 58.280 59.018 -0.048 0.000 2.028 388 C CB 1.668 29.526 27.740 0.197 0.000 2.344 388 C HN 0.521 nan 8.230 nan 0.000 0.525 389 E N 2.144 122.400 120.200 0.092 0.000 2.173 389 E HA 0.180 4.530 4.350 -0.000 0.000 0.249 389 E C -2.376 174.283 176.600 0.100 0.000 0.923 389 E CA -1.404 55.045 56.400 0.082 0.000 0.754 389 E CB 0.770 30.490 29.700 0.033 0.000 1.177 389 E HN 0.443 nan 8.360 nan 0.000 0.430 390 P HA -0.084 nan 4.420 nan 0.000 0.258 390 P C 1.113 178.449 177.300 0.061 0.000 1.563 390 P CA 0.206 63.376 63.100 0.117 0.000 1.241 390 P CB 0.298 32.036 31.700 0.063 0.000 1.811 391 V N 0.813 120.720 119.914 -0.011 0.000 2.358 391 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 391 V C 0.653 176.655 176.094 -0.153 0.000 1.047 391 V CA 1.442 63.636 62.300 -0.176 0.000 1.035 391 V CB -1.217 30.351 31.823 -0.425 0.000 0.658 391 V HN 0.370 nan 8.190 nan 0.000 0.452 392 H N 0.938 120.125 119.070 0.196 0.000 2.632 392 H HA 0.531 5.087 4.556 -0.000 0.000 0.258 392 H C -0.528 174.964 175.328 0.273 0.000 1.278 392 H CA -1.025 55.171 56.048 0.246 0.000 1.352 392 H CB 0.385 30.238 29.762 0.153 0.000 1.418 392 H HN 0.419 nan 8.280 nan 0.000 0.513 393 I N 4.132 124.947 120.570 0.410 0.000 2.281 393 I HA 0.116 4.286 4.170 -0.000 0.000 0.293 393 I C 0.295 176.687 176.117 0.459 0.000 1.085 393 I CA 0.038 61.552 61.300 0.358 0.000 1.257 393 I CB 0.698 38.840 38.000 0.236 0.000 1.430 393 I HN 0.230 nan 8.210 nan 0.000 0.489 394 L N 6.762 128.241 121.223 0.427 0.000 2.334 394 L HA 0.680 5.020 4.340 -0.000 0.000 0.272 394 L C -0.818 176.291 176.870 0.397 0.000 1.020 394 L CA -0.369 54.696 54.840 0.374 0.000 0.812 394 L CB 1.983 44.156 42.059 0.189 0.000 1.264 394 L HN 0.760 nan 8.230 nan 0.000 0.439 395 C N 3.360 122.854 119.300 0.324 0.000 3.309 395 C HA 0.214 4.674 4.460 -0.000 0.000 0.335 395 C C 1.160 176.248 174.990 0.163 0.000 1.018 395 C CA -0.561 58.583 59.018 0.209 0.000 1.326 395 C CB -0.615 27.121 27.740 -0.006 0.000 1.752 395 C HN 1.109 nan 8.230 nan 0.000 0.567 396 H N 3.016 122.126 119.070 0.066 0.000 2.325 396 H HA -0.197 4.359 4.556 -0.000 0.000 0.293 396 H C 1.593 176.913 175.328 -0.014 0.000 1.106 396 H CA 2.438 58.502 56.048 0.026 0.000 1.247 396 H CB 0.455 30.238 29.762 0.035 0.000 1.359 396 H HN 0.835 nan 8.280 nan 0.000 0.488 397 N N 0.348 119.036 118.700 -0.020 0.000 2.370 397 N HA 0.081 4.821 4.740 -0.000 0.000 0.198 397 N C 0.478 175.874 175.510 -0.190 0.000 1.156 397 N CA 0.412 53.371 53.050 -0.152 0.000 0.839 397 N CB 0.194 38.562 38.487 -0.197 0.000 0.989 397 N HN 0.229 nan 8.380 nan 0.000 0.468 398 G N -0.119 108.552 108.800 -0.215 0.000 2.580 398 G HA2 0.405 4.365 3.960 -0.000 0.000 0.278 398 G HA3 0.405 4.365 3.960 -0.000 0.000 0.278 398 G C -0.285 174.591 174.900 -0.040 0.000 1.212 398 G CA -0.672 44.233 45.100 -0.324 0.000 0.939 398 G HN 0.579 nan 8.290 nan 0.000 0.513 399 N N -1.654 117.084 118.700 0.063 0.000 2.701 399 N HA 0.338 5.078 4.740 -0.000 0.000 0.290 399 N C 0.891 176.532 175.510 0.217 0.000 1.338 399 N CA -0.984 52.153 53.050 0.145 0.000 0.799 399 N CB 1.566 40.144 38.487 0.151 0.000 1.491 399 N HN 0.217 nan 8.380 nan 0.000 0.540 400 K N 0.372 120.871 120.400 0.165 0.000 2.009 400 K HA -0.098 4.222 4.320 -0.000 0.000 0.210 400 K C 1.754 178.439 176.600 0.142 0.000 1.049 400 K CA 1.281 57.650 56.287 0.136 0.000 0.929 400 K CB -0.410 32.152 32.500 0.103 0.000 0.714 400 K HN 0.677 nan 8.250 nan 0.000 0.440 401 R N -0.696 119.923 120.500 0.198 0.000 2.133 401 R HA -0.213 4.127 4.340 -0.000 0.000 0.247 401 R C 2.185 178.616 176.300 0.217 0.000 1.151 401 R CA 2.185 58.443 56.100 0.262 0.000 0.971 401 R CB -0.469 30.064 30.300 0.389 0.000 0.866 401 R HN 0.351 nan 8.270 nan 0.000 0.447 402 W N 1.254 122.442 121.300 -0.186 0.000 2.378 402 W HA -0.148 4.512 4.660 -0.000 0.000 0.313 402 W C 2.087 178.367 176.519 -0.398 0.000 1.197 402 W CA 1.703 58.574 57.345 -0.790 0.000 1.304 402 W CB -0.383 28.596 29.460 -0.801 0.000 1.148 402 W HN -0.036 nan 8.180 nan 0.000 0.494 403 K N 0.760 121.075 120.400 -0.141 0.000 2.089 403 K HA -0.290 4.030 4.320 -0.000 0.000 0.210 403 K C 2.015 178.430 176.600 -0.308 0.000 1.048 403 K CA 2.282 58.394 56.287 -0.291 0.000 0.926 403 K CB -0.285 32.204 32.500 -0.018 0.000 0.714 403 K HN 0.160 nan 8.250 nan 0.000 0.448 404 K N -0.073 120.230 120.400 -0.162 0.000 1.985 404 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 404 K C 2.276 178.792 176.600 -0.140 0.000 1.047 404 K CA 1.271 57.497 56.287 -0.102 0.000 0.932 404 K CB -0.312 32.185 32.500 -0.005 0.000 0.716 404 K HN 0.229 nan 8.250 nan 0.000 0.439 405 A N 1.340 124.075 122.820 -0.142 0.000 1.927 405 A HA -0.186 4.133 4.320 -0.000 0.000 0.220 405 A C 2.438 179.903 177.584 -0.198 0.000 1.185 405 A CA 1.917 53.901 52.037 -0.089 0.000 0.639 405 A CB -0.893 18.131 19.000 0.040 0.000 0.820 405 A HN 0.108 nan 8.150 nan 0.000 0.451 406 V N 0.351 119.983 119.914 -0.471 0.000 2.270 406 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 406 V C 2.199 178.152 176.094 -0.234 0.000 1.043 406 V CA 2.170 64.206 62.300 -0.441 0.000 1.014 406 V CB -0.809 30.528 31.823 -0.811 0.000 0.645 406 V HN 0.532 nan 8.190 nan 0.000 0.447 407 D N 0.356 120.620 120.400 -0.226 0.000 2.158 407 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 407 D C 2.193 178.447 176.300 -0.076 0.000 0.995 407 D CA 1.702 55.622 54.000 -0.133 0.000 0.846 407 D CB -0.066 40.662 40.800 -0.119 0.000 0.941 407 D HN 0.463 nan 8.370 nan 0.000 0.456 408 A N 0.820 123.603 122.820 -0.062 0.000 1.902 408 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 408 A C 2.343 179.933 177.584 0.011 0.000 1.181 408 A CA 0.807 52.837 52.037 -0.012 0.000 0.623 408 A CB -0.576 18.431 19.000 0.011 0.000 0.818 408 A HN 0.196 nan 8.150 nan 0.000 0.443 409 I N -0.611 119.968 120.570 0.013 0.000 2.353 409 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 409 I C 2.305 178.428 176.117 0.011 0.000 1.119 409 I CA 0.811 62.141 61.300 0.050 0.000 1.417 409 I CB -0.274 37.778 38.000 0.086 0.000 1.078 409 I HN 0.274 nan 8.210 nan 0.000 0.421 410 L N 0.581 121.791 121.223 -0.022 0.000 2.044 410 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 410 L C 2.826 179.688 176.870 -0.013 0.000 1.075 410 L CA 1.214 56.041 54.840 -0.023 0.000 0.747 410 L CB -0.633 41.400 42.059 -0.044 0.000 0.903 410 L HN 0.198 nan 8.230 nan 0.000 0.435 411 A N -0.005 122.805 122.820 -0.017 0.000 2.070 411 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 411 A C 2.164 179.747 177.584 -0.002 0.000 1.159 411 A CA 1.490 53.519 52.037 -0.014 0.000 0.656 411 A CB -0.556 18.435 19.000 -0.015 0.000 0.800 411 A HN 0.395 nan 8.150 nan 0.000 0.453 412 A N -1.057 121.770 122.820 0.011 0.000 2.302 412 A HA 0.462 4.782 4.320 -0.000 0.000 0.219 412 A C 0.826 178.423 177.584 0.023 0.000 1.243 412 A CA 0.767 52.817 52.037 0.021 0.000 0.856 412 A CB -0.401 18.623 19.000 0.040 0.000 0.893 412 A HN 0.560 nan 8.150 nan 0.000 0.491 413 S N -1.053 114.657 115.700 0.017 0.000 2.572 413 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 413 S C -2.490 172.105 174.600 -0.009 0.000 1.150 413 S CA -1.040 57.180 58.200 0.033 0.000 0.944 413 S CB 1.562 64.809 63.200 0.078 0.000 1.071 413 S HN -0.025 nan 8.310 nan 0.000 0.479 414 P HA -0.089 nan 4.420 nan 0.000 0.216 414 P C 0.216 177.348 177.300 -0.279 0.000 1.150 414 P CA 1.270 64.234 63.100 -0.226 0.000 0.843 414 P CB -0.097 31.377 31.700 -0.377 0.000 0.787 415 Y N -1.280 118.996 120.300 -0.040 0.000 2.488 415 Y HA 0.250 4.800 4.550 -0.000 0.000 0.319 415 Y C 2.001 177.872 175.900 -0.049 0.000 1.212 415 Y CA 0.539 58.606 58.100 -0.055 0.000 1.273 415 Y CB -0.837 37.582 38.460 -0.068 0.000 1.074 415 Y HN -0.041 nan 8.280 nan 0.000 0.503 416 G N -1.009 107.812 108.800 0.035 0.000 3.735 416 G HA2 0.053 4.013 3.960 -0.000 0.000 0.283 416 G HA3 0.053 4.013 3.960 -0.000 0.000 0.283 416 G C 1.279 176.170 174.900 -0.015 0.000 1.007 416 G CA -0.308 44.801 45.100 0.015 0.000 0.821 416 G HN 0.205 nan 8.290 nan 0.000 0.505 417 K N 0.945 121.326 120.400 -0.031 0.000 2.026 417 K HA -0.050 4.270 4.320 -0.000 0.000 0.208 417 K C 1.112 177.693 176.600 -0.030 0.000 1.048 417 K CA 0.930 57.194 56.287 -0.039 0.000 0.929 417 K CB 0.020 32.488 32.500 -0.055 0.000 0.713 417 K HN 0.162 nan 8.250 nan 0.000 0.439 418 N N 0.590 119.274 118.700 -0.026 0.000 2.276 418 N HA 0.082 4.822 4.740 -0.000 0.000 0.212 418 N C -0.350 175.148 175.510 -0.019 0.000 1.127 418 N CA 0.018 53.053 53.050 -0.024 0.000 0.834 418 N CB 0.677 39.145 38.487 -0.032 0.000 1.014 418 N HN 0.078 nan 8.380 nan 0.000 0.491 419 A N 0.750 123.562 122.820 -0.013 0.000 2.401 419 A HA 0.502 4.822 4.320 -0.000 0.000 0.259 419 A C 0.157 177.742 177.584 0.001 0.000 1.103 419 A CA 0.215 52.254 52.037 0.003 0.000 0.789 419 A CB 0.405 19.405 19.000 -0.000 0.000 1.035 419 A HN 0.053 nan 8.150 nan 0.000 0.491 420 T N 1.943 116.528 114.554 0.050 0.000 2.879 420 T HA 0.492 4.842 4.350 -0.000 0.000 0.290 420 T C -0.610 174.074 174.700 -0.026 0.000 0.993 420 T CA -0.376 61.699 62.100 -0.042 0.000 0.975 420 T CB 1.372 70.221 68.868 -0.032 0.000 0.981 420 T HN 0.450 nan 8.240 nan 0.000 0.439 421 V N 3.934 123.746 119.914 -0.169 0.000 2.472 421 V HA 0.567 4.687 4.120 -0.000 0.000 0.290 421 V C -1.200 174.833 176.094 -0.102 0.000 1.037 421 V CA -0.763 61.521 62.300 -0.025 0.000 0.908 421 V CB 0.721 32.482 31.823 -0.103 0.000 0.985 421 V HN 0.795 nan 8.190 nan 0.000 0.454 422 Y N 4.568 124.971 120.300 0.172 0.000 2.425 422 Y HA 0.772 5.322 4.550 -0.000 0.000 0.344 422 Y C 0.073 176.083 175.900 0.185 0.000 0.969 422 Y CA -1.184 57.010 58.100 0.157 0.000 1.052 422 Y CB 1.776 40.322 38.460 0.143 0.000 1.215 422 Y HN 0.631 nan 8.280 nan 0.000 0.451 423 I N -1.406 119.337 120.570 0.289 0.000 2.689 423 I HA 0.908 5.078 4.170 -0.000 0.000 0.299 423 I C 0.693 176.901 176.117 0.152 0.000 1.059 423 I CA -0.841 60.599 61.300 0.233 0.000 1.055 423 I CB 2.329 40.470 38.000 0.235 0.000 1.243 423 I HN 0.717 nan 8.210 nan 0.000 0.425 424 G N 2.955 111.860 108.800 0.175 0.000 2.284 424 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.247 424 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.247 424 G C 0.290 175.186 174.900 -0.007 0.000 1.012 424 G CA -0.069 45.143 45.100 0.187 0.000 0.618 424 G HN 0.633 nan 8.290 nan 0.000 0.521 425 K N 1.901 122.189 120.400 -0.188 0.000 2.202 425 K HA 0.498 4.818 4.320 -0.000 0.000 0.264 425 K C 0.451 176.772 176.600 -0.464 0.000 1.010 425 K CA 0.382 56.331 56.287 -0.564 0.000 0.940 425 K CB 1.094 33.180 32.500 -0.691 0.000 0.983 425 K HN 0.670 nan 8.250 nan 0.000 0.475 426 D N -0.744 119.576 120.400 -0.133 0.000 2.588 426 D HA 0.184 4.824 4.640 -0.000 0.000 0.268 426 D C 1.059 177.247 176.300 -0.187 0.000 1.176 426 D CA -0.694 53.123 54.000 -0.305 0.000 1.080 426 D CB 0.301 40.921 40.800 -0.300 0.000 1.186 426 D HN 0.243 nan 8.370 nan 0.000 0.619 427 L N -0.841 120.239 121.223 -0.240 0.000 2.465 427 L HA 0.023 4.363 4.340 -0.000 0.000 0.224 427 L C 1.605 178.362 176.870 -0.187 0.000 1.145 427 L CA 0.353 55.014 54.840 -0.298 0.000 0.834 427 L CB -0.241 41.639 42.059 -0.299 0.000 0.944 427 L HN 0.494 nan 8.230 nan 0.000 0.451 428 W N 0.303 121.429 121.300 -0.290 0.000 2.576 428 W HA -0.089 4.571 4.660 -0.000 0.000 0.270 428 W C 2.046 178.386 176.519 -0.298 0.000 1.255 428 W CA 0.985 58.164 57.345 -0.277 0.000 1.314 428 W CB 0.049 29.317 29.460 -0.319 0.000 1.101 428 W HN 0.306 nan 8.180 nan 0.000 0.595 429 H N -0.002 118.902 119.070 -0.278 0.000 2.307 429 H HA -0.166 4.390 4.556 -0.000 0.000 0.303 429 H C 2.069 177.206 175.328 -0.319 0.000 1.073 429 H CA 2.039 57.841 56.048 -0.410 0.000 1.338 429 H CB -0.768 28.566 29.762 -0.713 0.000 1.389 429 H HN -0.029 nan 8.280 nan 0.000 0.503 430 L N 1.313 122.408 121.223 -0.214 0.000 2.089 430 L HA -0.238 4.102 4.340 -0.000 0.000 0.213 430 L C 2.460 179.152 176.870 -0.296 0.000 1.079 430 L CA 1.588 56.260 54.840 -0.281 0.000 0.758 430 L CB -0.468 41.388 42.059 -0.338 0.000 0.891 430 L HN 0.170 nan 8.230 nan 0.000 0.433 431 R N -1.133 119.150 120.500 -0.362 0.000 2.103 431 R HA -0.191 4.149 4.340 -0.000 0.000 0.242 431 R C 2.121 178.246 176.300 -0.292 0.000 1.142 431 R CA 2.027 57.874 56.100 -0.422 0.000 0.960 431 R CB -0.279 29.605 30.300 -0.694 0.000 0.858 431 R HN 0.492 nan 8.270 nan 0.000 0.439 432 S N 1.062 116.638 115.700 -0.207 0.000 2.357 432 S HA -0.051 4.419 4.470 -0.000 0.000 0.221 432 S C 1.958 176.533 174.600 -0.043 0.000 1.031 432 S CA 1.089 59.278 58.200 -0.017 0.000 0.982 432 S CB -0.235 62.987 63.200 0.037 0.000 0.853 432 S HN 0.291 nan 8.310 nan 0.000 0.458 433 L N 1.910 123.038 121.223 -0.159 0.000 2.129 433 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 433 L C 2.351 179.066 176.870 -0.259 0.000 1.087 433 L CA 1.082 55.701 54.840 -0.369 0.000 0.757 433 L CB -0.913 40.661 42.059 -0.808 0.000 0.896 433 L HN 0.353 nan 8.230 nan 0.000 0.434 434 V N -6.010 113.786 119.914 -0.197 0.000 3.406 434 V HA -0.035 4.085 4.120 -0.000 0.000 0.263 434 V C 1.961 177.964 176.094 -0.152 0.000 1.172 434 V CA 0.683 62.906 62.300 -0.127 0.000 1.140 434 V CB -0.522 31.173 31.823 -0.213 0.000 0.784 434 V HN 0.118 nan 8.190 nan 0.000 0.467 435 F N 2.444 122.343 119.950 -0.086 0.000 2.243 435 F HA 0.088 4.615 4.527 -0.000 0.000 0.287 435 F C 2.829 178.588 175.800 -0.069 0.000 1.067 435 F CA 1.771 59.708 58.000 -0.104 0.000 1.304 435 F CB -0.828 38.047 39.000 -0.208 0.000 1.087 435 F HN 0.303 nan 8.300 nan 0.000 0.513 436 T N -2.308 112.329 114.554 0.139 0.000 2.639 436 T HA -0.162 4.188 4.350 -0.000 0.000 0.261 436 T C 0.948 175.701 174.700 0.089 0.000 1.053 436 T CA 1.359 63.501 62.100 0.071 0.000 1.158 436 T CB -0.572 68.310 68.868 0.024 0.000 0.863 436 T HN 0.000 nan 8.240 nan 0.000 0.413 437 D N 1.658 122.131 120.400 0.122 0.000 2.622 437 D HA 0.230 4.870 4.640 -0.000 0.000 0.262 437 D C -0.348 176.086 176.300 0.223 0.000 1.189 437 D CA -0.492 53.615 54.000 0.178 0.000 0.985 437 D CB -0.063 40.896 40.800 0.265 0.000 0.994 437 D HN 0.431 nan 8.370 nan 0.000 0.513 438 K N 3.008 123.483 120.400 0.125 0.000 2.472 438 K HA 0.111 4.431 4.320 -0.000 0.000 0.280 438 K C -2.182 174.427 176.600 0.015 0.000 1.028 438 K CA -0.813 55.520 56.287 0.078 0.000 1.045 438 K CB 0.705 33.251 32.500 0.076 0.000 0.902 438 K HN 0.240 nan 8.250 nan 0.000 0.478 439 P HA 0.237 nan 4.420 nan 0.000 0.325 439 P C -0.669 176.521 177.300 -0.183 0.000 1.298 439 P CA -0.304 62.745 63.100 -0.085 0.000 0.771 439 P CB 0.892 32.591 31.700 -0.002 0.000 1.389 440 D N -1.999 118.211 120.400 -0.317 0.000 2.423 440 D HA 0.242 4.882 4.640 -0.000 0.000 0.208 440 D C -0.021 175.718 176.300 -0.934 0.000 1.068 440 D CA 0.943 54.588 54.000 -0.591 0.000 0.860 440 D CB 0.359 40.787 40.800 -0.620 0.000 0.992 440 D HN 0.229 nan 8.370 nan 0.000 0.504 441 F N -0.382 119.516 119.950 -0.086 0.000 2.741 441 F HA 0.396 4.923 4.527 -0.000 0.000 0.311 441 F C -0.779 175.156 175.800 0.224 0.000 1.149 441 F CA -0.914 57.143 58.000 0.095 0.000 0.930 441 F CB 1.284 40.415 39.000 0.219 0.000 1.312 441 F HN -0.429 nan 8.300 nan 0.000 0.450 442 M N 2.976 122.847 119.600 0.451 0.000 2.321 442 M HA 0.566 5.046 4.480 -0.000 0.000 0.315 442 M C -1.290 175.166 176.300 0.259 0.000 1.052 442 M CA -0.411 55.121 55.300 0.386 0.000 0.936 442 M CB 2.314 35.164 32.600 0.416 0.000 1.639 442 M HN 0.369 nan 8.290 nan 0.000 0.433 443 I N 2.655 123.302 120.570 0.128 0.000 2.371 443 I HA 0.687 4.857 4.170 -0.000 0.000 0.282 443 I C 0.251 176.127 176.117 -0.402 0.000 1.031 443 I CA -0.254 61.001 61.300 -0.075 0.000 1.180 443 I CB 1.193 39.133 38.000 -0.100 0.000 1.336 443 I HN 0.884 nan 8.210 nan 0.000 0.467 444 G N 4.462 112.893 108.800 -0.613 0.000 2.619 444 G HA2 0.259 4.219 3.960 -0.000 0.000 0.305 444 G HA3 0.259 4.219 3.960 -0.000 0.000 0.305 444 G C -1.308 173.222 174.900 -0.617 0.000 1.330 444 G CA -0.782 43.525 45.100 -1.322 0.000 0.789 444 G HN 0.564 nan 8.290 nan 0.000 0.487 445 N N -0.884 117.553 118.700 -0.439 0.000 2.322 445 N HA 0.272 5.012 4.740 -0.000 0.000 0.270 445 N C 1.314 176.812 175.510 -0.020 0.000 1.286 445 N CA 0.450 53.413 53.050 -0.145 0.000 0.948 445 N CB 0.502 38.926 38.487 -0.106 0.000 1.164 445 N HN 0.241 nan 8.380 nan 0.000 0.551 446 S N -1.618 113.950 115.700 -0.220 0.000 2.400 446 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 446 S C 1.286 175.843 174.600 -0.073 0.000 1.025 446 S CA 0.824 58.897 58.200 -0.212 0.000 0.993 446 S CB -0.782 62.194 63.200 -0.373 0.000 0.808 446 S HN 0.498 nan 8.310 nan 0.000 0.478 447 Y N 1.643 122.048 120.300 0.176 0.000 2.365 447 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 447 Y C 2.450 178.538 175.900 0.312 0.000 1.162 447 Y CA 0.492 58.770 58.100 0.297 0.000 1.260 447 Y CB -1.030 37.615 38.460 0.308 0.000 0.976 447 Y HN 0.345 nan 8.280 nan 0.000 0.548 448 G N -0.083 109.019 108.800 0.503 0.000 2.813 448 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.209 448 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.209 448 G C 1.669 176.690 174.900 0.203 0.000 1.150 448 G CA 0.450 45.820 45.100 0.449 0.000 0.785 448 G HN 0.521 nan 8.290 nan 0.000 0.535 449 K N -0.251 120.142 120.400 -0.013 0.000 2.152 449 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 449 K C 1.718 178.202 176.600 -0.193 0.000 1.048 449 K CA 1.139 57.316 56.287 -0.182 0.000 0.933 449 K CB -0.438 31.835 32.500 -0.380 0.000 0.721 449 K HN 0.231 nan 8.250 nan 0.000 0.447 450 F N 1.485 121.513 119.950 0.131 0.000 2.039 450 F HA -0.051 4.476 4.527 -0.000 0.000 0.294 450 F C 2.161 178.009 175.800 0.081 0.000 1.130 450 F CA 0.613 58.680 58.000 0.111 0.000 1.189 450 F CB -0.820 38.261 39.000 0.136 0.000 0.983 450 F HN -0.142 nan 8.300 nan 0.000 0.471 451 I N 0.494 121.205 120.570 0.234 0.000 2.227 451 I HA -0.388 3.782 4.170 -0.000 0.000 0.250 451 I C 2.500 178.634 176.117 0.028 0.000 1.087 451 I CA 1.635 62.969 61.300 0.057 0.000 1.352 451 I CB -1.003 36.986 38.000 -0.019 0.000 1.043 451 I HN 0.286 nan 8.210 nan 0.000 0.425 452 Q N 0.471 120.314 119.800 0.072 0.000 1.990 452 Q HA -0.255 4.085 4.340 -0.000 0.000 0.200 452 Q C 2.509 178.560 176.000 0.085 0.000 0.980 452 Q CA 1.823 57.660 55.803 0.057 0.000 0.832 452 Q CB -0.251 28.522 28.738 0.059 0.000 0.897 452 Q HN 0.422 nan 8.270 nan 0.000 0.427 453 R N 0.123 120.690 120.500 0.112 0.000 2.133 453 R HA -0.251 4.089 4.340 -0.000 0.000 0.245 453 R C 1.364 177.783 176.300 0.198 0.000 1.137 453 R CA 2.422 58.606 56.100 0.140 0.000 0.947 453 R CB -0.400 30.003 30.300 0.171 0.000 0.865 453 R HN 0.406 nan 8.270 nan 0.000 0.437 454 D N -0.472 120.070 120.400 0.238 0.000 2.087 454 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 454 D C 1.964 178.530 176.300 0.444 0.000 0.993 454 D CA 2.401 56.639 54.000 0.396 0.000 0.828 454 D CB -0.613 40.402 40.800 0.359 0.000 0.968 454 D HN 0.509 nan 8.370 nan 0.000 0.448 455 T N -0.675 113.959 114.554 0.132 0.000 2.778 455 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 455 T C 1.848 176.718 174.700 0.284 0.000 1.050 455 T CA 0.975 63.125 62.100 0.083 0.000 1.137 455 T CB -0.416 68.387 68.868 -0.108 0.000 0.860 455 T HN 0.080 nan 8.240 nan 0.000 0.468 456 L N 0.597 121.962 121.223 0.237 0.000 2.095 456 L HA 0.165 4.504 4.340 -0.000 0.000 0.204 456 L C 2.433 179.467 176.870 0.274 0.000 1.080 456 L CA 1.719 56.692 54.840 0.221 0.000 0.759 456 L CB -1.089 41.058 42.059 0.146 0.000 0.914 456 L HN 0.348 nan 8.230 nan 0.000 0.439 457 H N 0.320 119.496 119.070 0.176 0.000 2.431 457 H HA -0.256 4.300 4.556 -0.000 0.000 0.297 457 H C 2.228 177.637 175.328 0.137 0.000 1.115 457 H CA 2.316 58.393 56.048 0.048 0.000 1.277 457 H CB 0.002 29.651 29.762 -0.189 0.000 1.372 457 H HN 0.415 nan 8.280 nan 0.000 0.516 458 K N -0.511 120.094 120.400 0.342 0.000 2.217 458 K HA 0.072 4.392 4.320 -0.000 0.000 0.202 458 K C -0.005 176.777 176.600 0.305 0.000 1.051 458 K CA 0.843 57.292 56.287 0.271 0.000 0.952 458 K CB 0.235 32.876 32.500 0.235 0.000 0.736 458 K HN 0.442 nan 8.250 nan 0.000 0.453 459 G N 0.243 109.286 108.800 0.405 0.000 2.352 459 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.303 459 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.303 459 G C -0.725 174.318 174.900 0.239 0.000 1.593 459 G CA -0.378 44.961 45.100 0.398 0.000 0.963 459 G HN -0.027 nan 8.290 nan 0.000 0.685 460 K N 0.695 121.142 120.400 0.078 0.000 2.009 460 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 460 K C 2.408 178.943 176.600 -0.108 0.000 1.049 460 K CA 2.540 58.827 56.287 -0.001 0.000 0.929 460 K CB -0.062 32.424 32.500 -0.023 0.000 0.714 460 K HN 0.675 nan 8.250 nan 0.000 0.440 461 E N -0.544 119.488 120.200 -0.280 0.000 2.463 461 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 461 E C 1.037 177.261 176.600 -0.627 0.000 1.045 461 E CA 0.977 57.088 56.400 -0.482 0.000 0.872 461 E CB -0.229 29.095 29.700 -0.626 0.000 0.797 461 E HN 0.381 nan 8.360 nan 0.000 0.538 462 F N 1.320 121.282 119.950 0.020 0.000 2.678 462 F HA 0.232 4.759 4.527 -0.000 0.000 0.291 462 F C 1.211 177.007 175.800 -0.006 0.000 1.123 462 F CA -0.554 57.465 58.000 0.032 0.000 1.395 462 F CB -0.032 39.036 39.000 0.113 0.000 1.121 462 F HN -0.073 nan 8.300 nan 0.000 0.592 463 E N 1.720 121.989 120.200 0.116 0.000 2.502 463 E HA 0.096 4.446 4.350 -0.000 0.000 0.261 463 E C -0.944 175.640 176.600 -0.027 0.000 0.974 463 E CA 0.100 56.533 56.400 0.054 0.000 0.936 463 E CB 0.730 30.456 29.700 0.043 0.000 0.926 463 E HN -0.102 nan 8.360 nan 0.000 0.459 464 V N 7.429 127.324 119.914 -0.032 0.000 2.349 464 V HA 0.258 4.378 4.120 -0.000 0.000 0.284 464 V C -2.285 173.823 176.094 0.023 0.000 1.014 464 V CA -1.872 60.390 62.300 -0.062 0.000 0.826 464 V CB 1.541 33.330 31.823 -0.056 0.000 1.009 464 V HN 0.719 nan 8.190 nan 0.000 0.431 465 P HA 0.128 nan 4.420 nan 0.000 0.267 465 P C -0.569 176.912 177.300 0.301 0.000 1.209 465 P CA -0.211 63.016 63.100 0.211 0.000 0.763 465 P CB 0.598 32.512 31.700 0.356 0.000 0.816 466 L N 5.496 126.835 121.223 0.195 0.000 2.326 466 L HA 0.383 4.723 4.340 -0.000 0.000 0.278 466 L C -0.694 176.250 176.870 0.124 0.000 1.092 466 L CA 0.074 55.021 54.840 0.179 0.000 0.810 466 L CB 0.030 42.170 42.059 0.135 0.000 1.153 466 L HN 0.282 nan 8.230 nan 0.000 0.439 467 I N 5.662 126.287 120.570 0.092 0.000 2.428 467 I HA 0.350 4.520 4.170 -0.000 0.000 0.279 467 I C -0.036 176.066 176.117 -0.024 0.000 1.040 467 I CA -0.607 60.699 61.300 0.009 0.000 1.171 467 I CB 0.547 38.529 38.000 -0.029 0.000 1.312 467 I HN 0.577 nan 8.210 nan 0.000 0.470 468 R N 7.208 127.691 120.500 -0.028 0.000 2.483 468 R HA 0.361 4.701 4.340 -0.000 0.000 0.329 468 R C -0.709 175.593 176.300 0.003 0.000 0.961 468 R CA 0.540 56.616 56.100 -0.041 0.000 1.041 468 R CB 0.090 30.364 30.300 -0.044 0.000 0.930 468 R HN 0.550 nan 8.270 nan 0.000 0.413 469 I N 2.083 122.659 120.570 0.010 0.000 2.637 469 I HA 0.363 4.532 4.170 -0.000 0.000 0.285 469 I C 0.376 176.516 176.117 0.039 0.000 1.222 469 I CA -0.455 60.931 61.300 0.143 0.000 1.067 469 I CB 1.966 40.084 38.000 0.197 0.000 1.279 469 I HN 0.907 nan 8.210 nan 0.000 0.441 470 G N 5.398 114.140 108.800 -0.097 0.000 2.384 470 G HA2 0.234 4.194 3.960 -0.000 0.000 0.113 470 G HA3 0.234 4.194 3.960 -0.000 0.000 0.113 470 G C -1.955 172.754 174.900 -0.320 0.000 1.224 470 G CA -0.393 44.410 45.100 -0.494 0.000 1.126 470 G HN 0.491 nan 8.290 nan 0.000 0.461 471 F N 2.034 121.733 119.950 -0.418 0.000 2.669 471 F HA 0.646 5.173 4.527 -0.000 0.000 0.315 471 F C -2.600 173.025 175.800 -0.293 0.000 1.109 471 F CA -1.092 56.635 58.000 -0.454 0.000 1.028 471 F CB 2.397 41.145 39.000 -0.420 0.000 1.287 471 F HN 0.498 nan 8.300 nan 0.000 0.452 472 P HA 0.583 nan 4.420 nan 0.000 0.283 472 P C -1.200 175.339 177.300 -1.268 0.000 1.278 472 P CA -0.444 61.543 63.100 -1.855 0.000 0.834 472 P CB 2.586 32.897 31.700 -2.315 0.000 1.150 473 I N 1.182 121.139 120.570 -1.021 0.000 2.468 473 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 473 I C -0.048 175.715 176.117 -0.591 0.000 1.039 473 I CA -0.407 60.514 61.300 -0.631 0.000 1.074 473 I CB 1.402 39.308 38.000 -0.156 0.000 1.228 473 I HN 0.192 nan 8.210 nan 0.000 0.436 474 F N 2.043 121.885 119.950 -0.180 0.000 2.778 474 F HA 0.064 4.591 4.527 -0.000 0.000 0.314 474 F C 1.717 177.471 175.800 -0.078 0.000 1.073 474 F CA -0.432 57.484 58.000 -0.139 0.000 1.218 474 F CB -0.017 38.877 39.000 -0.177 0.000 1.037 474 F HN 0.435 nan 8.300 nan 0.000 0.594 475 D N 0.418 120.847 120.400 0.050 0.000 2.370 475 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 475 D C 0.365 176.647 176.300 -0.030 0.000 1.143 475 D CA 0.329 54.330 54.000 0.001 0.000 0.834 475 D CB 0.209 40.976 40.800 -0.055 0.000 0.944 475 D HN 0.051 nan 8.370 nan 0.000 0.504 476 R N -0.440 120.068 120.500 0.013 0.000 2.710 476 R HA 0.359 4.699 4.340 -0.000 0.000 0.270 476 R C -0.923 175.456 176.300 0.130 0.000 1.021 476 R CA -0.580 55.514 56.100 -0.009 0.000 0.889 476 R CB 1.346 31.629 30.300 -0.027 0.000 1.243 476 R HN 0.226 nan 8.270 nan 0.000 0.464 477 H N 1.245 120.236 119.070 -0.132 0.000 2.499 477 H HA 0.273 4.829 4.556 -0.000 0.000 0.340 477 H C -0.129 175.085 175.328 -0.189 0.000 1.148 477 H CA -0.678 55.203 56.048 -0.279 0.000 1.215 477 H CB 1.203 30.701 29.762 -0.441 0.000 1.529 477 H HN 0.620 nan 8.280 nan 0.000 0.510 478 H N 1.285 120.463 119.070 0.180 0.000 2.921 478 H HA -0.187 4.369 4.556 -0.000 0.000 0.281 478 H C 1.124 176.503 175.328 0.085 0.000 1.165 478 H CA 0.595 56.765 56.048 0.203 0.000 1.151 478 H CB -1.401 28.416 29.762 0.091 0.000 1.311 478 H HN 0.664 nan 8.280 nan 0.000 0.361 479 L N 0.866 122.161 121.223 0.121 0.000 2.376 479 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 479 L C 2.689 179.435 176.870 -0.208 0.000 1.133 479 L CA 1.218 56.025 54.840 -0.054 0.000 0.816 479 L CB -0.385 41.637 42.059 -0.062 0.000 0.933 479 L HN 0.464 nan 8.230 nan 0.000 0.449 480 H N 0.037 118.964 119.070 -0.240 0.000 2.567 480 H HA -0.073 4.483 4.556 -0.000 0.000 0.276 480 H C 1.534 176.774 175.328 -0.147 0.000 1.016 480 H CA 0.523 56.429 56.048 -0.237 0.000 1.186 480 H CB -0.347 29.272 29.762 -0.239 0.000 1.351 480 H HN 0.350 nan 8.280 nan 0.000 0.605 481 R N 0.560 120.744 120.500 -0.527 0.000 2.317 481 R HA 0.155 4.495 4.340 -0.000 0.000 0.208 481 R C 0.589 176.718 176.300 -0.285 0.000 0.914 481 R CA -0.045 55.806 56.100 -0.415 0.000 1.060 481 R CB 0.476 30.568 30.300 -0.347 0.000 1.015 481 R HN 0.095 nan 8.270 nan 0.000 0.498 482 S N 0.457 115.925 115.700 -0.387 0.000 2.641 482 S HA 0.094 4.564 4.470 -0.000 0.000 0.251 482 S C 0.350 174.809 174.600 -0.235 0.000 1.332 482 S CA 0.208 58.200 58.200 -0.346 0.000 0.968 482 S CB 0.810 63.713 63.200 -0.494 0.000 0.987 482 S HN 0.127 nan 8.310 nan 0.000 0.587 483 T N 0.263 114.748 114.554 -0.114 0.000 2.991 483 T HA 0.464 4.814 4.350 -0.000 0.000 0.303 483 T C 0.687 175.416 174.700 0.049 0.000 1.015 483 T CA -0.640 61.449 62.100 -0.018 0.000 1.007 483 T CB 1.655 70.498 68.868 -0.041 0.000 1.034 483 T HN 0.696 nan 8.240 nan 0.000 0.446 484 T N 0.060 114.675 114.554 0.101 0.000 2.964 484 T HA 0.358 4.708 4.350 -0.000 0.000 0.249 484 T C 0.716 175.411 174.700 -0.008 0.000 1.000 484 T CA -0.182 61.977 62.100 0.098 0.000 0.992 484 T CB -0.177 68.823 68.868 0.220 0.000 1.087 484 T HN 0.407 nan 8.240 nan 0.000 0.489 485 L N 2.090 123.283 121.223 -0.050 0.000 2.472 485 L HA 0.552 4.892 4.340 -0.000 0.000 0.260 485 L C 1.562 178.342 176.870 -0.151 0.000 1.209 485 L CA 0.344 55.110 54.840 -0.124 0.000 0.817 485 L CB -0.332 41.618 42.059 -0.182 0.000 1.106 485 L HN 0.655 nan 8.230 nan 0.000 0.479 486 G N 0.033 108.709 108.800 -0.206 0.000 2.740 486 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.250 486 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.250 486 G C 0.066 174.913 174.900 -0.089 0.000 1.358 486 G CA 0.329 45.288 45.100 -0.236 0.000 0.897 486 G HN 0.558 nan 8.290 nan 0.000 0.567 487 Y N 0.145 120.390 120.300 -0.092 0.000 2.224 487 Y HA -0.032 4.518 4.550 -0.000 0.000 0.289 487 Y C 2.793 178.643 175.900 -0.083 0.000 1.146 487 Y CA 1.806 59.852 58.100 -0.090 0.000 1.182 487 Y CB -0.794 37.642 38.460 -0.041 0.000 0.983 487 Y HN 0.823 nan 8.280 nan 0.000 0.524 488 E N 0.019 120.268 120.200 0.081 0.000 2.049 488 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 488 E C 2.571 179.170 176.600 -0.002 0.000 1.007 488 E CA 1.390 57.808 56.400 0.029 0.000 0.809 488 E CB -0.568 29.131 29.700 -0.002 0.000 0.749 488 E HN 0.440 nan 8.360 nan 0.000 0.450 489 G N 0.957 109.738 108.800 -0.033 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 1.686 176.536 174.900 -0.084 0.000 1.216 489 G CA 1.942 47.013 45.100 -0.050 0.000 0.786 489 G HN 0.504 nan 8.290 nan 0.000 0.583 490 A N 0.696 123.399 122.820 -0.196 0.000 1.893 490 A HA -0.298 4.022 4.320 -0.000 0.000 0.222 490 A C 2.516 180.072 177.584 -0.048 0.000 1.309 490 A CA 2.880 54.685 52.037 -0.388 0.000 0.681 490 A CB -0.686 18.049 19.000 -0.440 0.000 0.842 490 A HN 0.448 nan 8.150 nan 0.000 0.468 491 M N -1.577 118.024 119.600 0.002 0.000 2.163 491 M HA -0.333 4.147 4.480 -0.000 0.000 0.258 491 M C 2.557 178.885 176.300 0.047 0.000 1.071 491 M CA 2.438 57.765 55.300 0.046 0.000 1.093 491 M CB -0.780 31.838 32.600 0.029 0.000 1.285 491 M HN 0.563 nan 8.290 nan 0.000 0.420 492 Q N 0.313 120.125 119.800 0.021 0.000 1.998 492 Q HA -0.235 4.105 4.340 -0.000 0.000 0.209 492 Q C 2.010 178.032 176.000 0.037 0.000 1.002 492 Q CA 2.137 57.949 55.803 0.015 0.000 0.858 492 Q CB -0.458 28.279 28.738 -0.003 0.000 0.932 492 Q HN 0.545 nan 8.270 nan 0.000 0.416 493 I N 0.598 121.207 120.570 0.066 0.000 2.113 493 I HA -0.348 3.822 4.170 -0.000 0.000 0.242 493 I C 2.483 178.662 176.117 0.103 0.000 1.064 493 I CA 1.158 62.517 61.300 0.099 0.000 1.320 493 I CB -0.403 37.701 38.000 0.174 0.000 1.028 493 I HN 0.306 nan 8.210 nan 0.000 0.406 494 L N 0.163 121.500 121.223 0.191 0.000 2.043 494 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 494 L C 2.556 179.450 176.870 0.040 0.000 1.075 494 L CA 1.983 56.898 54.840 0.126 0.000 0.752 494 L CB -0.372 41.797 42.059 0.183 0.000 0.891 494 L HN 0.300 nan 8.230 nan 0.000 0.432 495 T N -1.313 113.261 114.554 0.034 0.000 2.732 495 T HA -0.162 4.188 4.350 -0.000 0.000 0.261 495 T C 1.729 176.411 174.700 -0.029 0.000 1.040 495 T CA 1.807 63.908 62.100 0.001 0.000 1.145 495 T CB -0.396 68.472 68.868 0.001 0.000 0.866 495 T HN 0.403 nan 8.240 nan 0.000 0.427 496 T N 2.727 117.264 114.554 -0.028 0.000 2.721 496 T HA -0.068 4.282 4.350 -0.000 0.000 0.268 496 T C 1.806 176.446 174.700 -0.099 0.000 1.038 496 T CA 0.949 63.015 62.100 -0.056 0.000 1.145 496 T CB -0.486 68.358 68.868 -0.041 0.000 0.858 496 T HN 0.198 nan 8.240 nan 0.000 0.459 497 L N 0.143 121.309 121.223 -0.093 0.000 1.925 497 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 497 L C 2.640 179.438 176.870 -0.119 0.000 1.091 497 L CA 0.976 55.737 54.840 -0.132 0.000 0.768 497 L CB -1.121 40.867 42.059 -0.120 0.000 0.887 497 L HN 0.071 nan 8.230 nan 0.000 0.433 498 V N 0.608 120.494 119.914 -0.047 0.000 2.311 498 V HA -0.437 3.683 4.120 -0.000 0.000 0.259 498 V C 2.002 178.030 176.094 -0.109 0.000 1.086 498 V CA 2.814 65.097 62.300 -0.027 0.000 1.078 498 V CB -0.658 31.179 31.823 0.024 0.000 0.668 498 V HN 0.560 nan 8.190 nan 0.000 0.452 499 N N -1.014 117.620 118.700 -0.110 0.000 2.270 499 N HA -0.114 4.626 4.740 -0.000 0.000 0.181 499 N C 1.968 177.387 175.510 -0.152 0.000 1.016 499 N CA 1.182 54.154 53.050 -0.130 0.000 0.870 499 N CB -0.131 38.300 38.487 -0.094 0.000 0.979 499 N HN 0.474 nan 8.380 nan 0.000 0.431 500 S N 0.936 116.520 115.700 -0.193 0.000 2.368 500 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 500 S C 1.907 176.359 174.600 -0.247 0.000 1.030 500 S CA 0.683 58.729 58.200 -0.257 0.000 0.999 500 S CB -0.078 62.865 63.200 -0.429 0.000 0.844 500 S HN 0.236 nan 8.310 nan 0.000 0.459 501 I N 1.273 121.684 120.570 -0.265 0.000 2.058 501 I HA -0.221 3.949 4.170 -0.000 0.000 0.235 501 I C 2.112 178.194 176.117 -0.058 0.000 1.053 501 I CA 1.347 62.648 61.300 0.002 0.000 1.313 501 I CB -0.510 37.512 38.000 0.036 0.000 1.039 501 I HN 0.250 nan 8.210 nan 0.000 0.396 502 L N 0.365 121.441 121.223 -0.244 0.000 2.129 502 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 502 L C 2.512 179.261 176.870 -0.202 0.000 1.087 502 L CA 1.290 55.909 54.840 -0.368 0.000 0.757 502 L CB -0.562 41.219 42.059 -0.462 0.000 0.896 502 L HN 0.306 nan 8.230 nan 0.000 0.434 503 E N 0.420 120.545 120.200 -0.125 0.000 2.058 503 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 503 E C 2.204 178.793 176.600 -0.020 0.000 0.997 503 E CA 1.435 57.794 56.400 -0.067 0.000 0.801 503 E CB 0.003 29.672 29.700 -0.051 0.000 0.746 503 E HN 0.189 nan 8.360 nan 0.000 0.450 504 R N -0.265 120.252 120.500 0.029 0.000 2.093 504 R HA -0.015 4.325 4.340 -0.000 0.000 0.224 504 R C 2.155 178.460 176.300 0.008 0.000 1.101 504 R CA 0.994 57.131 56.100 0.062 0.000 0.979 504 R CB -0.675 29.735 30.300 0.184 0.000 0.877 504 R HN 0.326 nan 8.270 nan 0.000 0.441 505 L N 0.725 121.929 121.223 -0.032 0.000 2.131 505 L HA -0.068 4.271 4.340 -0.000 0.000 0.210 505 L C 1.058 177.908 176.870 -0.032 0.000 1.092 505 L CA 1.943 56.746 54.840 -0.062 0.000 0.759 505 L CB -0.593 41.374 42.059 -0.154 0.000 0.903 505 L HN 0.172 nan 8.230 nan 0.000 0.435 506 D N -0.395 119.992 120.400 -0.021 0.000 2.084 506 D HA -0.230 4.409 4.640 -0.000 0.000 0.196 506 D C 2.089 178.446 176.300 0.095 0.000 0.985 506 D CA 1.474 55.530 54.000 0.094 0.000 0.826 506 D CB -0.040 40.787 40.800 0.046 0.000 0.978 506 D HN 0.554 nan 8.370 nan 0.000 0.456 507 E N 0.594 120.813 120.200 0.032 0.000 2.171 507 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 507 E C 1.421 177.999 176.600 -0.037 0.000 0.997 507 E CA 1.147 57.546 56.400 -0.001 0.000 0.810 507 E CB 0.035 29.736 29.700 0.002 0.000 0.738 507 E HN 0.361 nan 8.360 nan 0.000 0.467 508 E N -0.641 119.536 120.200 -0.038 0.000 2.371 508 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 508 E C 0.883 177.429 176.600 -0.090 0.000 1.012 508 E CA 1.213 57.577 56.400 -0.060 0.000 0.860 508 E CB 0.369 30.035 29.700 -0.056 0.000 0.811 508 E HN 0.318 nan 8.360 nan 0.000 0.502 509 T N -2.123 112.370 114.554 -0.101 0.000 3.331 509 T HA 0.274 4.624 4.350 -0.000 0.000 0.282 509 T C 0.939 175.401 174.700 -0.397 0.000 1.010 509 T CA -0.567 61.430 62.100 -0.173 0.000 0.928 509 T CB 0.348 69.149 68.868 -0.111 0.000 1.154 509 T HN -0.076 nan 8.240 nan 0.000 0.516 510 R N 0.900 121.152 120.500 -0.413 0.000 2.312 510 R HA 0.326 4.666 4.340 -0.000 0.000 0.205 510 R C 1.197 177.314 176.300 -0.305 0.000 0.904 510 R CA -0.019 55.723 56.100 -0.597 0.000 1.052 510 R CB -0.252 29.841 30.300 -0.344 0.000 1.014 510 R HN 0.445 nan 8.270 nan 0.000 0.503 511 G N 1.807 110.492 108.800 -0.191 0.000 2.298 511 G HA2 0.070 4.030 3.960 -0.000 0.000 0.263 511 G HA3 0.070 4.030 3.960 -0.000 0.000 0.263 511 G C -0.207 174.645 174.900 -0.080 0.000 1.229 511 G CA -0.360 44.678 45.100 -0.103 0.000 0.976 511 G HN 0.167 nan 8.290 nan 0.000 0.459 512 M N 2.182 121.749 119.600 -0.056 0.000 2.251 512 M HA 0.069 4.549 4.480 -0.000 0.000 0.343 512 M C 1.062 177.363 176.300 0.001 0.000 1.245 512 M CA 0.424 55.708 55.300 -0.026 0.000 1.061 512 M CB 0.115 32.706 32.600 -0.016 0.000 1.723 512 M HN 0.795 nan 8.290 nan 0.000 0.449 513 Q N 2.692 122.505 119.800 0.022 0.000 2.429 513 Q HA -0.276 4.064 4.340 -0.000 0.000 0.365 513 Q C -0.741 175.288 176.000 0.048 0.000 1.384 513 Q CA 0.743 56.571 55.803 0.041 0.000 1.089 513 Q CB -0.962 27.792 28.738 0.026 0.000 1.264 513 Q HN 0.922 nan 8.270 nan 0.000 0.342 514 A N -0.169 122.700 122.820 0.081 0.000 1.838 514 A HA 0.088 4.408 4.320 -0.000 0.000 0.193 514 A C 0.943 178.637 177.584 0.184 0.000 1.607 514 A CA 0.658 52.749 52.037 0.090 0.000 1.618 514 A CB -0.002 19.021 19.000 0.039 0.000 1.539 514 A HN 0.807 nan 8.150 nan 0.000 0.618 515 T N -1.445 113.169 114.554 0.100 0.000 3.087 515 T HA 0.131 4.480 4.350 -0.000 0.000 0.283 515 T C 0.662 175.248 174.700 -0.190 0.000 0.956 515 T CA 0.919 63.016 62.100 -0.005 0.000 0.894 515 T CB 0.047 68.871 68.868 -0.074 0.000 1.160 515 T HN 0.444 nan 8.240 nan 0.000 0.532 516 D N 1.678 122.040 120.400 -0.063 0.000 2.371 516 D HA -0.120 4.520 4.640 -0.000 0.000 0.234 516 D C 1.346 177.659 176.300 0.021 0.000 1.049 516 D CA 0.115 54.062 54.000 -0.089 0.000 0.907 516 D CB -0.516 40.241 40.800 -0.072 0.000 0.891 516 D HN 0.722 nan 8.370 nan 0.000 0.531 517 Y N -0.157 120.163 120.300 0.033 0.000 2.420 517 Y HA 0.182 4.732 4.550 -0.000 0.000 0.292 517 Y C 1.405 177.346 175.900 0.068 0.000 1.119 517 Y CA 0.422 58.549 58.100 0.045 0.000 1.229 517 Y CB -0.755 37.721 38.460 0.028 0.000 1.026 517 Y HN -0.111 nan 8.280 nan 0.000 0.554 518 N N 0.230 118.585 118.700 -0.575 0.000 2.295 518 N HA -0.059 4.681 4.740 -0.000 0.000 0.221 518 N C -0.434 175.034 175.510 -0.071 0.000 1.129 518 N CA -0.045 52.813 53.050 -0.320 0.000 0.836 518 N CB -0.679 37.510 38.487 -0.496 0.000 1.040 518 N HN 0.533 nan 8.380 nan 0.000 0.494 519 H N 0.354 119.343 119.070 -0.135 0.000 2.553 519 H HA 0.114 4.670 4.556 -0.000 0.000 0.222 519 H C -0.710 174.596 175.328 -0.036 0.000 1.779 519 H CA -0.740 55.260 56.048 -0.082 0.000 1.241 519 H CB -0.056 29.667 29.762 -0.065 0.000 1.647 519 H HN 0.269 nan 8.280 nan 0.000 0.523 520 D N 1.487 121.874 120.400 -0.021 0.000 2.400 520 D HA -0.108 4.532 4.640 -0.000 0.000 0.238 520 D C 1.353 177.597 176.300 -0.094 0.000 1.157 520 D CA -0.145 53.841 54.000 -0.023 0.000 0.889 520 D CB 1.570 42.386 40.800 0.027 0.000 1.199 520 D HN 0.395 nan 8.370 nan 0.000 0.436 521 L N 1.941 123.131 121.223 -0.054 0.000 2.102 521 L HA 0.057 4.397 4.340 -0.000 0.000 0.202 521 L C 0.319 177.160 176.870 -0.048 0.000 1.076 521 L CA 1.177 55.976 54.840 -0.069 0.000 0.761 521 L CB 0.235 42.273 42.059 -0.035 0.000 0.921 521 L HN 0.167 nan 8.230 nan 0.000 0.444 522 V N 2.586 122.495 119.914 -0.009 0.000 2.406 522 V HA 0.417 4.537 4.120 -0.000 0.000 0.272 522 V C 0.302 176.429 176.094 0.056 0.000 1.043 522 V CA -0.406 61.904 62.300 0.016 0.000 0.915 522 V CB 0.907 32.746 31.823 0.026 0.000 0.988 522 V HN 0.333 nan 8.190 nan 0.000 0.466 523 R N 0.000 120.546 120.500 0.076 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.220 56.100 0.200 0.000 0.921 523 R CB 0.000 30.333 30.300 0.056 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535