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 2afk_1_B 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 0.000 174.620 174.600 0.033 0.000 1.055 2 S CA 0.000 58.228 58.200 0.047 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 Q N 1.314 121.121 119.800 0.012 0.000 2.305 3 Q HA 0.472 4.819 4.340 0.012 0.000 0.271 3 Q C -1.487 174.507 176.000 -0.010 0.000 1.046 3 Q CA -0.763 55.035 55.803 -0.007 0.000 0.798 3 Q CB 2.220 30.952 28.738 -0.010 0.000 1.286 3 Q HN 0.507 nan 8.270 nan 0.000 0.435 4 Q N 1.415 121.205 119.800 -0.017 0.000 2.322 4 Q HA 0.161 4.508 4.340 0.012 0.000 0.256 4 Q C 0.830 176.821 176.000 -0.015 0.000 0.960 4 Q CA -0.045 55.749 55.803 -0.014 0.000 0.934 4 Q CB 1.698 30.425 28.738 -0.017 0.000 1.200 4 Q HN 0.551 nan 8.270 nan 0.000 0.435 5 V N 3.361 123.269 119.914 -0.010 0.000 2.546 5 V HA -0.256 3.871 4.120 0.012 0.000 0.254 5 V C 1.265 177.353 176.094 -0.011 0.000 1.076 5 V CA 2.617 64.911 62.300 -0.009 0.000 1.087 5 V CB -0.123 31.696 31.823 -0.006 0.000 0.674 5 V HN 0.929 nan 8.190 nan 0.000 0.470 6 D N -0.600 119.793 120.400 -0.011 0.000 2.277 6 D HA -0.109 4.538 4.640 0.012 0.000 0.208 6 D C 1.185 177.476 176.300 -0.014 0.000 0.962 6 D CA 0.548 54.541 54.000 -0.011 0.000 0.865 6 D CB 0.091 40.885 40.800 -0.009 0.000 0.939 6 D HN 0.430 nan 8.370 nan 0.000 0.510 7 K N 0.846 121.234 120.400 -0.020 0.000 2.814 7 K HA 0.320 4.647 4.320 0.012 0.000 0.205 7 K C -1.085 175.493 176.600 -0.038 0.000 1.093 7 K CA -0.393 55.878 56.287 -0.027 0.000 1.035 7 K CB 0.118 32.600 32.500 -0.029 0.000 1.220 7 K HN -0.056 nan 8.250 nan 0.000 0.576 8 I N 3.077 123.625 120.570 -0.037 0.000 2.648 8 I HA 0.072 4.249 4.170 0.012 0.000 0.284 8 I C 0.260 176.335 176.117 -0.070 0.000 1.153 8 I CA 0.109 61.380 61.300 -0.047 0.000 1.426 8 I CB 0.674 38.652 38.000 -0.036 0.000 1.381 8 I HN 0.291 nan 8.210 nan 0.000 0.571 9 K N 5.501 125.840 120.400 -0.101 0.000 2.206 9 K HA 0.692 5.019 4.320 0.012 0.000 0.264 9 K C -0.343 176.153 176.600 -0.173 0.000 0.967 9 K CA -0.617 55.581 56.287 -0.148 0.000 0.844 9 K CB 1.900 34.284 32.500 -0.193 0.000 1.099 9 K HN 0.675 nan 8.250 nan 0.000 0.441 10 A N 1.246 123.977 122.820 -0.148 0.000 2.257 10 A HA 0.203 4.530 4.320 0.012 0.000 0.290 10 A C 1.542 179.000 177.584 -0.211 0.000 1.201 10 A CA 0.170 52.133 52.037 -0.124 0.000 0.863 10 A CB 0.128 19.108 19.000 -0.032 0.000 1.256 10 A HN 0.877 nan 8.150 nan 0.000 0.506 11 S N -1.171 114.445 115.700 -0.139 0.000 2.393 11 S HA -0.262 4.215 4.470 0.012 0.000 0.234 11 S C 0.581 175.123 174.600 -0.098 0.000 1.064 11 S CA 2.093 60.217 58.200 -0.127 0.000 1.088 11 S CB -0.696 62.642 63.200 0.230 0.000 0.939 11 S HN 1.200 nan 8.310 nan 0.000 0.448 12 Y N 3.878 124.135 120.300 -0.072 0.000 2.335 12 Y HA 0.569 5.125 4.550 0.009 0.000 0.338 12 Y C -2.349 173.505 175.900 -0.075 0.000 0.977 12 Y CA -2.523 55.553 58.100 -0.040 0.000 1.114 12 Y CB 2.087 40.553 38.460 0.009 0.000 1.182 12 Y HN -0.023 nan 8.280 nan 0.000 0.463 13 P HA -0.035 nan 4.420 nan 0.000 0.261 13 P C 1.330 178.381 177.300 -0.416 0.000 1.268 13 P CA 0.237 62.830 63.100 -0.844 0.000 0.833 13 P CB 0.555 31.782 31.700 -0.789 0.000 1.231 14 L N 0.467 121.426 121.223 -0.441 0.000 2.021 14 L HA -0.174 4.173 4.340 0.012 0.000 0.215 14 L C 1.805 178.352 176.870 -0.539 0.000 1.074 14 L CA 2.143 56.670 54.840 -0.522 0.000 0.760 14 L CB -1.646 39.924 42.059 -0.814 0.000 0.889 14 L HN -0.189 nan 8.230 nan 0.000 0.433 15 F N -1.110 118.678 119.950 -0.269 0.000 2.722 15 F HA -0.045 4.488 4.527 0.010 0.000 0.298 15 F C 1.733 177.525 175.800 -0.014 0.000 1.175 15 F CA 0.150 57.999 58.000 -0.251 0.000 1.462 15 F CB -0.621 38.245 39.000 -0.223 0.000 1.111 15 F HN 0.103 nan 8.300 nan 0.000 0.592 16 L N -0.800 120.470 121.223 0.079 0.000 2.558 16 L HA 0.077 4.424 4.340 0.012 0.000 0.225 16 L C 0.534 177.463 176.870 0.098 0.000 1.128 16 L CA 0.282 55.176 54.840 0.090 0.000 0.868 16 L CB -0.985 41.085 42.059 0.020 0.000 1.006 16 L HN -0.149 nan 8.230 nan 0.000 0.454 17 D N -0.871 119.611 120.400 0.136 0.000 2.399 17 D HA -0.045 4.602 4.640 0.012 0.000 0.241 17 D C 1.163 177.561 176.300 0.163 0.000 1.133 17 D CA 0.117 54.205 54.000 0.147 0.000 0.890 17 D CB 1.027 41.958 40.800 0.218 0.000 1.201 17 D HN -0.032 nan 8.370 nan 0.000 0.432 18 Q N 1.601 121.457 119.800 0.093 0.000 2.061 18 Q HA -0.194 4.153 4.340 0.012 0.000 0.204 18 Q C 1.160 177.194 176.000 0.056 0.000 0.984 18 Q CA 2.039 57.882 55.803 0.068 0.000 0.846 18 Q CB -0.125 28.635 28.738 0.037 0.000 0.902 18 Q HN 0.585 nan 8.270 nan 0.000 0.421 19 D N -1.239 119.171 120.400 0.016 0.000 2.144 19 D HA -0.215 4.432 4.640 0.012 0.000 0.199 19 D C 1.514 177.772 176.300 -0.070 0.000 0.984 19 D CA 1.411 55.374 54.000 -0.062 0.000 0.834 19 D CB -0.947 39.765 40.800 -0.146 0.000 0.955 19 D HN 0.389 nan 8.370 nan 0.000 0.465 20 Y N 0.943 121.299 120.300 0.093 0.000 2.200 20 Y HA -0.049 4.507 4.550 0.011 0.000 0.290 20 Y C 2.603 178.565 175.900 0.104 0.000 1.137 20 Y CA 1.354 59.540 58.100 0.143 0.000 1.163 20 Y CB -0.337 38.290 38.460 0.277 0.000 0.988 20 Y HN -0.023 nan 8.280 nan 0.000 0.518 21 K N 0.208 120.757 120.400 0.249 0.000 2.057 21 K HA -0.200 4.127 4.320 0.012 0.000 0.207 21 K C 1.577 178.235 176.600 0.096 0.000 1.049 21 K CA 1.967 58.347 56.287 0.155 0.000 0.931 21 K CB -0.180 32.395 32.500 0.124 0.000 0.714 21 K HN 0.205 nan 8.250 nan 0.000 0.440 22 D N 0.558 121.000 120.400 0.071 0.000 2.117 22 D HA -0.181 4.466 4.640 0.012 0.000 0.198 22 D C 1.871 178.194 176.300 0.038 0.000 0.982 22 D CA 1.213 55.236 54.000 0.039 0.000 0.828 22 D CB -0.054 40.757 40.800 0.018 0.000 0.967 22 D HN 0.343 nan 8.370 nan 0.000 0.464 23 M N 0.360 119.985 119.600 0.043 0.000 2.108 23 M HA -0.172 4.315 4.480 0.012 0.000 0.261 23 M C 2.015 178.355 176.300 0.067 0.000 1.066 23 M CA 1.235 56.563 55.300 0.047 0.000 1.107 23 M CB -0.030 32.593 32.600 0.038 0.000 1.356 23 M HN -0.039 nan 8.290 nan 0.000 0.406 24 L N 0.110 121.382 121.223 0.081 0.000 2.201 24 L HA -0.110 4.237 4.340 0.012 0.000 0.212 24 L C 2.724 179.621 176.870 0.044 0.000 1.105 24 L CA 0.980 55.857 54.840 0.063 0.000 0.775 24 L CB -0.825 41.273 42.059 0.064 0.000 0.913 24 L HN 0.384 nan 8.230 nan 0.000 0.440 25 A N 0.048 122.891 122.820 0.039 0.000 1.898 25 A HA -0.182 4.145 4.320 0.012 0.000 0.216 25 A C 2.344 179.926 177.584 -0.003 0.000 1.181 25 A CA 1.438 53.486 52.037 0.018 0.000 0.620 25 A CB -0.252 18.758 19.000 0.017 0.000 0.819 25 A HN 0.298 nan 8.150 nan 0.000 0.442 26 K N -0.244 120.159 120.400 0.004 0.000 2.057 26 K HA -0.138 4.189 4.320 0.012 0.000 0.206 26 K C 2.212 178.802 176.600 -0.016 0.000 1.050 26 K CA 1.427 57.703 56.287 -0.018 0.000 0.935 26 K CB -0.165 32.346 32.500 0.018 0.000 0.715 26 K HN 0.530 nan 8.250 nan 0.000 0.439 27 K N 1.765 122.207 120.400 0.071 0.000 2.032 27 K HA -0.209 4.118 4.320 0.012 0.000 0.209 27 K C 2.306 178.957 176.600 0.084 0.000 1.048 27 K CA 1.393 57.781 56.287 0.167 0.000 0.927 27 K CB -0.062 32.520 32.500 0.137 0.000 0.712 27 K HN -0.006 nan 8.250 nan 0.000 0.441 28 R N 0.429 120.943 120.500 0.022 0.000 2.070 28 R HA -0.146 4.201 4.340 0.012 0.000 0.233 28 R C 1.584 177.842 176.300 -0.070 0.000 1.137 28 R CA 2.175 58.270 56.100 -0.008 0.000 0.945 28 R CB -0.240 30.058 30.300 -0.004 0.000 0.845 28 R HN 0.287 nan 8.270 nan 0.000 0.430 29 D N -0.576 119.763 120.400 -0.103 0.000 2.117 29 D HA -0.085 4.562 4.640 0.012 0.000 0.198 29 D C 1.787 177.932 176.300 -0.258 0.000 0.982 29 D CA 1.569 55.484 54.000 -0.141 0.000 0.828 29 D CB -0.526 40.202 40.800 -0.119 0.000 0.967 29 D HN 0.521 nan 8.370 nan 0.000 0.464 30 G N -0.323 108.217 108.800 -0.433 0.000 2.402 30 G HA2 -0.175 3.792 3.960 0.012 0.000 0.216 30 G HA3 -0.175 3.792 3.960 0.012 0.000 0.216 30 G C 1.036 175.256 174.900 -1.133 0.000 1.162 30 G CA 0.471 45.014 45.100 -0.928 0.000 0.777 30 G HN 0.232 nan 8.290 nan 0.000 0.539 31 F N -0.250 119.686 119.950 -0.024 0.000 2.789 31 F HA 0.359 4.893 4.527 0.012 0.000 0.320 31 F C 2.244 178.023 175.800 -0.034 0.000 1.079 31 F CA -0.350 57.634 58.000 -0.027 0.000 1.205 31 F CB 0.209 39.196 39.000 -0.022 0.000 1.046 31 F HN 0.070 nan 8.300 nan 0.000 0.586 32 E N 0.934 121.175 120.200 0.069 0.000 2.208 32 E HA -0.134 4.223 4.350 0.012 0.000 0.193 32 E C 0.060 176.642 176.600 -0.031 0.000 0.988 32 E CA 0.800 57.215 56.400 0.025 0.000 0.828 32 E CB -0.226 29.482 29.700 0.012 0.000 0.763 32 E HN 0.380 nan 8.360 nan 0.000 0.478 33 E N 1.027 121.187 120.200 -0.066 0.000 2.297 33 E HA -0.229 4.128 4.350 0.012 0.000 0.228 33 E C -0.166 176.325 176.600 -0.181 0.000 1.213 33 E CA 0.355 56.684 56.400 -0.118 0.000 0.712 33 E CB -1.176 28.462 29.700 -0.104 0.000 1.202 33 E HN 0.139 nan 8.360 nan 0.000 0.376 34 K N 0.710 121.032 120.400 -0.130 0.000 2.237 34 K HA 0.181 4.508 4.320 0.012 0.000 0.270 34 K C -0.346 176.165 176.600 -0.149 0.000 1.015 34 K CA -0.410 55.812 56.287 -0.108 0.000 0.949 34 K CB 0.485 32.971 32.500 -0.024 0.000 0.976 34 K HN -0.018 nan 8.250 nan 0.000 0.472 35 Y N 3.487 123.789 120.300 0.004 0.000 2.497 35 Y HA 0.085 4.642 4.550 0.011 0.000 0.334 35 Y C -1.737 174.167 175.900 0.006 0.000 1.199 35 Y CA -1.469 56.634 58.100 0.005 0.000 1.425 35 Y CB 0.141 38.608 38.460 0.012 0.000 1.291 35 Y HN 0.603 nan 8.280 nan 0.000 0.562 36 P HA -0.041 nan 4.420 nan 0.000 0.269 36 P C 0.211 177.572 177.300 0.101 0.000 1.215 36 P CA -0.113 63.040 63.100 0.088 0.000 0.780 36 P CB 0.751 32.494 31.700 0.072 0.000 0.898 37 Q N 1.687 121.529 119.800 0.070 0.000 2.181 37 Q HA -0.216 4.131 4.340 0.012 0.000 0.205 37 Q C 0.945 176.987 176.000 0.070 0.000 0.980 37 Q CA 1.997 57.841 55.803 0.069 0.000 0.862 37 Q CB -0.733 28.036 28.738 0.052 0.000 0.905 37 Q HN 0.389 nan 8.270 nan 0.000 0.429 38 D N -0.248 120.188 120.400 0.060 0.000 2.104 38 D HA -0.174 4.473 4.640 0.012 0.000 0.194 38 D C 1.606 177.937 176.300 0.052 0.000 0.994 38 D CA 1.454 55.484 54.000 0.050 0.000 0.830 38 D CB -0.282 40.541 40.800 0.039 0.000 0.959 38 D HN 0.144 nan 8.370 nan 0.000 0.452 39 K N 0.696 121.132 120.400 0.061 0.000 2.057 39 K HA 0.031 4.358 4.320 0.012 0.000 0.206 39 K C 2.088 178.709 176.600 0.036 0.000 1.050 39 K CA 0.600 56.909 56.287 0.037 0.000 0.935 39 K CB -0.511 32.027 32.500 0.063 0.000 0.715 39 K HN 0.137 nan 8.250 nan 0.000 0.439 40 I N 1.008 121.625 120.570 0.078 0.000 2.226 40 I HA -0.290 3.887 4.170 0.012 0.000 0.245 40 I C 1.499 177.699 176.117 0.138 0.000 1.100 40 I CA 1.442 62.800 61.300 0.096 0.000 1.374 40 I CB -0.279 37.786 38.000 0.108 0.000 1.057 40 I HN 0.225 nan 8.210 nan 0.000 0.413 41 D N 0.336 120.812 120.400 0.128 0.000 2.144 41 D HA -0.216 4.431 4.640 0.012 0.000 0.200 41 D C 1.991 178.384 176.300 0.154 0.000 0.978 41 D CA 1.166 55.261 54.000 0.158 0.000 0.833 41 D CB -0.169 40.691 40.800 0.099 0.000 0.961 41 D HN 0.453 nan 8.370 nan 0.000 0.470 42 E N 0.683 120.936 120.200 0.089 0.000 2.072 42 E HA -0.121 4.236 4.350 0.012 0.000 0.191 42 E C 2.120 178.764 176.600 0.074 0.000 0.985 42 E CA 0.603 57.034 56.400 0.053 0.000 0.801 42 E CB 0.265 29.968 29.700 0.005 0.000 0.750 42 E HN -0.024 nan 8.360 nan 0.000 0.452 43 V N 0.872 120.836 119.914 0.084 0.000 2.358 43 V HA -0.216 3.911 4.120 0.012 0.000 0.246 43 V C 2.091 178.270 176.094 0.143 0.000 1.047 43 V CA 1.801 64.188 62.300 0.144 0.000 1.035 43 V CB -0.674 31.205 31.823 0.093 0.000 0.658 43 V HN 0.348 nan 8.190 nan 0.000 0.452 44 F N 1.296 121.258 119.950 0.021 0.000 2.134 44 F HA -0.242 4.292 4.527 0.011 0.000 0.299 44 F C 2.551 178.246 175.800 -0.174 0.000 1.097 44 F CA 2.279 60.247 58.000 -0.054 0.000 1.264 44 F CB -0.357 38.662 39.000 0.031 0.000 1.001 44 F HN 0.166 nan 8.300 nan 0.000 0.479 45 Q N -0.276 119.428 119.800 -0.160 0.000 2.084 45 Q HA -0.284 4.063 4.340 0.012 0.000 0.202 45 Q C 1.992 177.798 176.000 -0.323 0.000 0.978 45 Q CA 2.328 57.968 55.803 -0.273 0.000 0.844 45 Q CB -1.128 27.571 28.738 -0.065 0.000 0.898 45 Q HN 0.624 nan 8.270 nan 0.000 0.426 46 W N 0.631 121.717 121.300 -0.358 0.000 2.425 46 W HA -0.071 4.594 4.660 0.009 0.000 0.277 46 W C 1.776 178.000 176.519 -0.492 0.000 1.231 46 W CA 2.402 59.563 57.345 -0.306 0.000 1.248 46 W CB -0.496 28.860 29.460 -0.172 0.000 1.117 46 W HN 0.302 nan 8.180 nan 0.000 0.568 47 T N -2.925 111.069 114.554 -0.934 0.000 3.085 47 T HA -0.094 4.263 4.350 0.012 0.000 0.263 47 T C 1.506 175.428 174.700 -1.297 0.000 1.127 47 T CA 1.466 62.570 62.100 -1.659 0.000 1.103 47 T CB -0.868 67.196 68.868 -1.340 0.000 0.921 47 T HN 0.228 nan 8.240 nan 0.000 0.510 48 T N -0.008 113.848 114.554 -1.164 0.000 3.086 48 T HA 0.184 4.541 4.350 0.012 0.000 0.250 48 T C 0.973 175.312 174.700 -0.601 0.000 1.074 48 T CA 0.165 61.558 62.100 -1.180 0.000 0.988 48 T CB -0.441 67.472 68.868 -1.592 0.000 0.988 48 T HN 0.611 nan 8.240 nan 0.000 0.530 49 T N -1.004 113.265 114.554 -0.474 0.000 2.862 49 T HA 0.486 4.843 4.350 0.012 0.000 0.276 49 T C 1.055 175.667 174.700 -0.146 0.000 0.974 49 T CA -0.742 61.209 62.100 -0.248 0.000 0.966 49 T CB 1.725 70.502 68.868 -0.152 0.000 1.072 49 T HN -0.037 nan 8.240 nan 0.000 0.538 50 K N 0.217 120.571 120.400 -0.076 0.000 2.097 50 K HA -0.051 4.276 4.320 0.012 0.000 0.205 50 K C 2.050 178.637 176.600 -0.021 0.000 1.050 50 K CA 1.406 57.670 56.287 -0.038 0.000 0.938 50 K CB -0.371 32.118 32.500 -0.019 0.000 0.718 50 K HN 0.711 nan 8.250 nan 0.000 0.442 51 E N -0.952 119.247 120.200 -0.002 0.000 2.077 51 E HA -0.186 4.171 4.350 0.012 0.000 0.193 51 E C 1.699 178.299 176.600 -0.001 0.000 0.989 51 E CA 1.366 57.794 56.400 0.047 0.000 0.800 51 E CB -0.430 29.368 29.700 0.162 0.000 0.746 51 E HN 0.401 nan 8.360 nan 0.000 0.452 52 Y N 1.312 121.410 120.300 -0.337 0.000 2.293 52 Y HA -0.214 4.345 4.550 0.014 0.000 0.291 52 Y C 2.423 178.173 175.900 -0.249 0.000 1.137 52 Y CA 1.808 59.585 58.100 -0.539 0.000 1.202 52 Y CB 0.038 37.892 38.460 -1.009 0.000 0.990 52 Y HN 0.061 nan 8.280 nan 0.000 0.537 53 Q N 0.294 120.081 119.800 -0.022 0.000 2.084 53 Q HA -0.236 4.111 4.340 0.012 0.000 0.202 53 Q C 1.911 177.973 176.000 0.104 0.000 0.978 53 Q CA 2.139 57.980 55.803 0.064 0.000 0.844 53 Q CB -0.112 28.650 28.738 0.040 0.000 0.898 53 Q HN 0.623 nan 8.270 nan 0.000 0.426 54 E N 0.163 120.377 120.200 0.023 0.000 2.077 54 E HA -0.176 4.181 4.350 0.012 0.000 0.193 54 E C 2.112 178.735 176.600 0.039 0.000 0.989 54 E CA 1.267 57.692 56.400 0.042 0.000 0.800 54 E CB -0.057 29.655 29.700 0.020 0.000 0.746 54 E HN 0.391 nan 8.360 nan 0.000 0.452 55 L N 1.179 122.373 121.223 -0.049 0.000 2.056 55 L HA -0.178 4.169 4.340 0.012 0.000 0.207 55 L C 2.439 179.237 176.870 -0.121 0.000 1.078 55 L CA 0.838 55.626 54.840 -0.086 0.000 0.749 55 L CB -0.489 41.481 42.059 -0.149 0.000 0.901 55 L HN 0.160 nan 8.230 nan 0.000 0.433 56 N N 0.523 119.086 118.700 -0.228 0.000 2.205 56 N HA -0.213 4.534 4.740 0.012 0.000 0.186 56 N C 1.426 176.934 175.510 -0.003 0.000 1.015 56 N CA 1.548 54.490 53.050 -0.180 0.000 0.862 56 N CB -0.145 38.200 38.487 -0.236 0.000 0.986 56 N HN 0.207 nan 8.380 nan 0.000 0.429 57 F N 0.412 120.365 119.950 0.005 0.000 2.773 57 F HA 0.248 4.782 4.527 0.011 0.000 0.304 57 F C 1.809 177.617 175.800 0.013 0.000 1.129 57 F CA 0.125 58.122 58.000 -0.005 0.000 1.378 57 F CB 0.301 39.252 39.000 -0.082 0.000 1.095 57 F HN 0.095 nan 8.300 nan 0.000 0.565 58 Q N -0.563 119.310 119.800 0.122 0.000 2.282 58 Q HA 0.139 4.486 4.340 0.012 0.000 0.206 58 Q C 0.483 176.513 176.000 0.051 0.000 0.878 58 Q CA -0.147 55.703 55.803 0.078 0.000 0.944 58 Q CB 0.417 29.184 28.738 0.049 0.000 1.100 58 Q HN 0.193 nan 8.270 nan 0.000 0.509 59 R N 0.952 121.480 120.500 0.047 0.000 2.538 59 R HA -0.040 4.307 4.340 0.012 0.000 0.282 59 R C 0.394 176.716 176.300 0.037 0.000 1.009 59 R CA 0.692 56.803 56.100 0.019 0.000 1.063 59 R CB 0.380 30.668 30.300 -0.019 0.000 0.945 59 R HN 0.301 nan 8.270 nan 0.000 0.414 60 E N 1.184 121.396 120.200 0.020 0.000 2.508 60 E HA 0.077 4.434 4.350 0.012 0.000 0.217 60 E C 0.733 177.343 176.600 0.017 0.000 0.896 60 E CA 0.317 56.733 56.400 0.028 0.000 1.118 60 E CB 0.997 30.712 29.700 0.025 0.000 1.133 60 E HN 0.680 nan 8.360 nan 0.000 0.526 61 A N 0.466 123.286 122.820 -0.001 0.000 2.226 61 A HA 0.229 4.555 4.320 0.012 0.000 0.207 61 A C 0.334 177.902 177.584 -0.026 0.000 1.293 61 A CA -0.250 51.782 52.037 -0.009 0.000 0.968 61 A CB 0.516 19.509 19.000 -0.012 0.000 1.044 61 A HN 0.120 nan 8.150 nan 0.000 0.493 62 L N 1.257 122.451 121.223 -0.048 0.000 2.289 62 L HA 0.639 4.986 4.340 0.012 0.000 0.285 62 L C -0.773 176.034 176.870 -0.105 0.000 1.049 62 L CA 0.488 55.279 54.840 -0.082 0.000 0.804 62 L CB 1.572 43.566 42.059 -0.109 0.000 1.195 62 L HN 0.037 nan 8.230 nan 0.000 0.428 63 T N 4.645 119.136 114.554 -0.104 0.000 2.792 63 T HA 0.643 5.000 4.350 0.012 0.000 0.280 63 T C -0.910 173.689 174.700 -0.169 0.000 0.990 63 T CA -0.372 61.661 62.100 -0.112 0.000 0.960 63 T CB 1.376 70.235 68.868 -0.014 0.000 0.939 63 T HN 0.368 nan 8.240 nan 0.000 0.439 64 V N 4.654 124.431 119.914 -0.228 0.000 2.444 64 V HA 0.405 4.532 4.120 0.012 0.000 0.294 64 V C -0.274 175.708 176.094 -0.185 0.000 1.022 64 V CA -1.181 60.964 62.300 -0.258 0.000 0.850 64 V CB 1.394 32.967 31.823 -0.417 0.000 0.992 64 V HN 0.984 nan 8.190 nan 0.000 0.426 65 N N 3.043 121.635 118.700 -0.180 0.000 2.641 65 N HA -0.116 4.631 4.740 0.012 0.000 0.267 65 N C -2.264 173.140 175.510 -0.178 0.000 1.087 65 N CA 0.469 53.415 53.050 -0.174 0.000 0.731 65 N CB -0.874 37.562 38.487 -0.086 0.000 0.886 65 N HN 0.516 nan 8.380 nan 0.000 0.547 66 P HA 0.233 nan 4.420 nan 0.000 0.272 66 P C -0.442 176.882 177.300 0.039 0.000 1.240 66 P CA -0.264 62.865 63.100 0.049 0.000 0.791 66 P CB 0.804 32.614 31.700 0.184 0.000 0.978 67 A N 1.649 124.642 122.820 0.288 0.000 3.201 67 A HA 0.448 4.775 4.320 0.012 0.000 0.312 67 A C 0.194 177.944 177.584 0.277 0.000 1.011 67 A CA -0.298 51.887 52.037 0.247 0.000 0.987 67 A CB -0.418 18.716 19.000 0.222 0.000 1.060 67 A HN 0.610 nan 8.150 nan 0.000 0.505 68 K N -1.376 119.124 120.400 0.167 0.000 2.642 68 K HA 0.794 5.121 4.320 0.012 0.000 0.290 68 K C -0.895 175.724 176.600 0.033 0.000 1.006 68 K CA -0.508 55.849 56.287 0.116 0.000 0.869 68 K CB 0.985 33.479 32.500 -0.010 0.000 1.499 68 K HN 0.651 nan 8.250 nan 0.000 0.403 69 A N 0.269 123.123 122.820 0.058 0.000 2.486 69 A HA 0.765 5.092 4.320 0.012 0.000 0.289 69 A C -0.260 177.355 177.584 0.052 0.000 1.176 69 A CA -0.528 51.482 52.037 -0.044 0.000 0.757 69 A CB 0.727 19.609 19.000 -0.195 0.000 1.337 69 A HN 1.122 nan 8.150 nan 0.000 0.423 70 C N -1.014 118.295 119.300 0.016 0.000 2.500 70 C HA 0.444 4.911 4.460 0.012 0.000 0.367 70 C C 1.540 176.544 174.990 0.023 0.000 1.283 70 C CA -0.315 58.718 59.018 0.024 0.000 2.456 70 C CB -0.007 27.757 27.740 0.040 0.000 2.457 70 C HN 0.931 nan 8.230 nan 0.000 0.632 71 Q N 1.590 121.384 119.800 -0.011 0.000 2.096 71 Q HA -0.145 4.202 4.340 0.012 0.000 0.208 71 Q C -0.266 175.714 176.000 -0.034 0.000 0.993 71 Q CA 2.388 58.184 55.803 -0.012 0.000 0.862 71 Q CB -1.280 27.435 28.738 -0.039 0.000 0.915 71 Q HN 0.738 nan 8.270 nan 0.000 0.416 72 P HA -0.166 nan 4.420 nan 0.000 0.220 72 P C 1.470 178.481 177.300 -0.482 0.000 1.148 72 P CA 0.923 63.858 63.100 -0.275 0.000 0.803 72 P CB -0.087 31.455 31.700 -0.264 0.000 0.782 73 L N 0.555 121.487 121.223 -0.484 0.000 2.046 73 L HA -0.034 4.313 4.340 0.012 0.000 0.208 73 L C 2.507 179.560 176.870 0.305 0.000 1.077 73 L CA 2.439 57.135 54.840 -0.240 0.000 0.747 73 L CB -1.548 40.479 42.059 -0.053 0.000 0.896 73 L HN -0.046 nan 8.230 nan 0.000 0.432 74 G N -1.416 107.619 108.800 0.392 0.000 2.422 74 G HA2 -0.188 3.779 3.960 0.012 0.000 0.218 74 G HA3 -0.188 3.779 3.960 0.012 0.000 0.218 74 G C 1.579 176.681 174.900 0.338 0.000 1.140 74 G CA 0.663 46.161 45.100 0.664 0.000 0.775 74 G HN 0.618 nan 8.290 nan 0.000 0.545 75 A N 0.198 123.089 122.820 0.118 0.000 1.898 75 A HA 0.112 4.439 4.320 0.012 0.000 0.216 75 A C 2.576 180.153 177.584 -0.011 0.000 1.181 75 A CA 1.670 53.701 52.037 -0.009 0.000 0.620 75 A CB -0.570 18.413 19.000 -0.028 0.000 0.819 75 A HN 0.223 nan 8.150 nan 0.000 0.442 76 V N -0.239 119.703 119.914 0.045 0.000 2.358 76 V HA -0.210 3.917 4.120 0.012 0.000 0.246 76 V C 2.493 178.645 176.094 0.096 0.000 1.047 76 V CA 1.900 64.262 62.300 0.103 0.000 1.035 76 V CB -0.696 31.243 31.823 0.194 0.000 0.658 76 V HN 0.605 nan 8.190 nan 0.000 0.452 77 L N -0.105 121.208 121.223 0.151 0.000 2.083 77 L HA -0.164 4.182 4.340 0.012 0.000 0.209 77 L C 2.400 179.284 176.870 0.023 0.000 1.083 77 L CA 2.269 57.106 54.840 -0.004 0.000 0.752 77 L CB -0.906 41.151 42.059 -0.003 0.000 0.899 77 L HN 0.463 nan 8.230 nan 0.000 0.433 78 C N -0.584 118.635 119.300 -0.135 0.000 2.453 78 C HA -0.024 4.443 4.460 0.012 0.000 0.277 78 C C 2.990 177.990 174.990 0.016 0.000 1.262 78 C CA 0.801 59.564 59.018 -0.424 0.000 1.718 78 C CB -1.341 25.693 27.740 -1.178 0.000 2.031 78 C HN 0.689 nan 8.230 nan 0.000 0.480 79 A N 0.157 122.988 122.820 0.018 0.000 1.902 79 A HA -0.073 4.253 4.320 0.012 0.000 0.217 79 A C 1.982 179.690 177.584 0.206 0.000 1.181 79 A CA 1.599 53.710 52.037 0.122 0.000 0.623 79 A CB -0.786 18.227 19.000 0.021 0.000 0.818 79 A HN 0.532 nan 8.150 nan 0.000 0.443 80 L N 0.081 121.356 121.223 0.087 0.000 2.189 80 L HA -0.116 4.231 4.340 0.012 0.000 0.214 80 L C 2.382 179.248 176.870 -0.007 0.000 1.097 80 L CA 1.670 56.529 54.840 0.030 0.000 0.764 80 L CB -1.131 40.880 42.059 -0.081 0.000 0.900 80 L HN 0.401 nan 8.230 nan 0.000 0.436 81 G N -2.465 106.323 108.800 -0.021 0.000 2.848 81 G HA2 -0.084 3.883 3.960 0.012 0.000 0.208 81 G HA3 -0.084 3.883 3.960 0.012 0.000 0.208 81 G C 0.122 174.764 174.900 -0.429 0.000 1.152 81 G CA -0.201 44.772 45.100 -0.213 0.000 0.789 81 G HN 0.182 nan 8.290 nan 0.000 0.531 82 F N -0.272 119.654 119.950 -0.040 0.000 2.480 82 F HA 0.370 4.904 4.527 0.012 0.000 0.329 82 F C 0.515 176.274 175.800 -0.067 0.000 1.091 82 F CA -1.655 56.312 58.000 -0.055 0.000 0.972 82 F CB 1.482 40.440 39.000 -0.071 0.000 1.150 82 F HN -0.050 nan 8.300 nan 0.000 0.467 83 E N 3.310 123.537 120.200 0.046 0.000 2.558 83 E HA -0.062 4.295 4.350 0.012 0.000 0.255 83 E C -0.070 176.482 176.600 -0.079 0.000 0.968 83 E CA 0.189 56.576 56.400 -0.022 0.000 0.939 83 E CB 0.202 29.875 29.700 -0.044 0.000 0.921 83 E HN 0.586 nan 8.360 nan 0.000 0.477 84 K N 2.257 122.560 120.400 -0.160 0.000 3.071 84 K HA -0.184 4.143 4.320 0.012 0.000 0.262 84 K C -0.854 175.442 176.600 -0.507 0.000 0.977 84 K CA 0.915 56.864 56.287 -0.563 0.000 0.721 84 K CB -1.569 30.627 32.500 -0.507 0.000 1.293 84 K HN 0.483 nan 8.250 nan 0.000 0.475 85 T N 1.050 115.515 114.554 -0.149 0.000 2.794 85 T HA 0.438 4.795 4.350 0.012 0.000 0.280 85 T C -0.190 174.619 174.700 0.181 0.000 0.987 85 T CA -0.675 61.424 62.100 -0.002 0.000 0.993 85 T CB 1.195 70.107 68.868 0.073 0.000 0.939 85 T HN 0.167 nan 8.240 nan 0.000 0.449 86 M N 5.751 125.466 119.600 0.190 0.000 2.061 86 M HA 0.419 4.906 4.480 0.012 0.000 0.346 86 M C -2.712 173.708 176.300 0.200 0.000 1.112 86 M CA -2.542 52.917 55.300 0.265 0.000 1.021 86 M CB 0.822 33.613 32.600 0.317 0.000 1.530 86 M HN 0.125 nan 8.290 nan 0.000 0.437 87 P HA 0.048 nan 4.420 nan 0.000 0.267 87 P C -1.993 175.446 177.300 0.231 0.000 1.205 87 P CA 0.351 63.550 63.100 0.165 0.000 0.765 87 P CB 0.052 31.838 31.700 0.144 0.000 0.828 88 Y N 3.921 124.274 120.300 0.087 0.000 2.338 88 Y HA 0.466 5.023 4.550 0.012 0.000 0.333 88 Y C -1.209 174.765 175.900 0.123 0.000 0.968 88 Y CA -0.882 57.282 58.100 0.107 0.000 1.123 88 Y CB 1.371 39.893 38.460 0.102 0.000 1.165 88 Y HN 0.047 nan 8.280 nan 0.000 0.452 89 V N 6.559 126.552 119.914 0.131 0.000 2.357 89 V HA 0.166 4.293 4.120 0.012 0.000 0.284 89 V C -0.603 175.564 176.094 0.122 0.000 1.018 89 V CA -0.745 61.674 62.300 0.198 0.000 0.841 89 V CB 0.730 32.705 31.823 0.254 0.000 0.991 89 V HN 0.792 nan 8.190 nan 0.000 0.437 90 H N 3.999 123.189 119.070 0.199 0.000 2.742 90 H HA 0.667 5.230 4.556 0.012 0.000 0.302 90 H C 0.390 175.795 175.328 0.129 0.000 1.069 90 H CA 1.192 57.357 56.048 0.195 0.000 1.446 90 H CB 0.698 30.630 29.762 0.284 0.000 1.462 90 H HN 0.950 nan 8.280 nan 0.000 0.499 91 G N 2.232 110.820 108.800 -0.353 0.000 2.288 91 G HA2 -0.046 3.921 3.960 0.012 0.000 0.227 91 G HA3 -0.046 3.921 3.960 0.012 0.000 0.227 91 G C -1.084 173.732 174.900 -0.140 0.000 1.339 91 G CA -0.425 44.538 45.100 -0.228 0.000 1.057 91 G HN 0.636 nan 8.290 nan 0.000 0.470 92 S N 1.030 116.684 115.700 -0.077 0.000 2.528 92 S HA 0.312 4.789 4.470 0.012 0.000 0.277 92 S C 1.674 176.213 174.600 -0.102 0.000 1.297 92 S CA 0.527 58.680 58.200 -0.077 0.000 1.052 92 S CB 1.418 64.586 63.200 -0.054 0.000 0.917 92 S HN 0.763 nan 8.310 nan 0.000 0.492 93 Q N 2.995 122.726 119.800 -0.115 0.000 2.224 93 Q HA -0.047 4.300 4.340 0.012 0.000 0.203 93 Q C 1.875 177.756 176.000 -0.198 0.000 0.970 93 Q CA 1.398 57.117 55.803 -0.140 0.000 0.865 93 Q CB -0.586 28.081 28.738 -0.118 0.000 0.922 93 Q HN 0.779 nan 8.270 nan 0.000 0.445 94 G N 0.921 109.599 108.800 -0.203 0.000 2.448 94 G HA2 -0.243 3.724 3.960 0.012 0.000 0.219 94 G HA3 -0.243 3.724 3.960 0.012 0.000 0.219 94 G C 1.341 176.032 174.900 -0.348 0.000 1.127 94 G CA 0.872 45.794 45.100 -0.297 0.000 0.766 94 G HN 0.477 nan 8.290 nan 0.000 0.552 95 C N -0.223 118.887 119.300 -0.317 0.000 2.429 95 C HA 0.005 4.471 4.460 0.012 0.000 0.277 95 C C 3.019 177.319 174.990 -1.150 0.000 1.262 95 C CA 0.684 59.340 59.018 -0.604 0.000 1.733 95 C CB -0.849 26.675 27.740 -0.360 0.000 2.010 95 C HN 0.302 nan 8.230 nan 0.000 0.483 96 V N 1.328 120.895 119.914 -0.579 0.000 2.427 96 V HA -0.151 3.976 4.120 0.012 0.000 0.248 96 V C 2.692 178.674 176.094 -0.186 0.000 1.051 96 V CA 2.015 64.142 62.300 -0.289 0.000 1.048 96 V CB -1.208 30.579 31.823 -0.061 0.000 0.666 96 V HN 0.586 nan 8.190 nan 0.000 0.456 97 A N -0.854 121.824 122.820 -0.236 0.000 1.902 97 A HA -0.222 4.105 4.320 0.012 0.000 0.217 97 A C 2.096 179.626 177.584 -0.089 0.000 1.181 97 A CA 1.839 53.768 52.037 -0.180 0.000 0.623 97 A CB -0.692 18.133 19.000 -0.293 0.000 0.818 97 A HN 0.532 nan 8.150 nan 0.000 0.443 98 Y N -0.973 119.196 120.300 -0.219 0.000 2.200 98 Y HA -0.102 4.455 4.550 0.012 0.000 0.290 98 Y C 2.170 178.045 175.900 -0.043 0.000 1.137 98 Y CA 0.731 58.728 58.100 -0.172 0.000 1.163 98 Y CB -0.944 37.355 38.460 -0.269 0.000 0.988 98 Y HN 0.346 nan 8.280 nan 0.000 0.518 99 F N -0.061 119.989 119.950 0.166 0.000 2.134 99 F HA -0.160 4.374 4.527 0.011 0.000 0.299 99 F C 2.301 178.216 175.800 0.192 0.000 1.097 99 F CA 1.069 59.131 58.000 0.104 0.000 1.264 99 F CB -1.189 37.897 39.000 0.143 0.000 1.001 99 F HN -0.056 nan 8.300 nan 0.000 0.479 100 R N -0.012 120.716 120.500 0.379 0.000 2.073 100 R HA -0.100 4.247 4.340 0.012 0.000 0.234 100 R C 2.339 178.817 176.300 0.297 0.000 1.134 100 R CA 1.601 57.904 56.100 0.338 0.000 0.952 100 R CB -0.893 29.527 30.300 0.199 0.000 0.850 100 R HN 0.170 nan 8.270 nan 0.000 0.433 101 S N 0.384 116.219 115.700 0.224 0.000 2.368 101 S HA -0.184 4.293 4.470 0.012 0.000 0.225 101 S C 1.665 176.384 174.600 0.199 0.000 1.030 101 S CA 1.195 59.497 58.200 0.171 0.000 0.999 101 S CB -0.403 62.889 63.200 0.154 0.000 0.844 101 S HN 0.308 nan 8.310 nan 0.000 0.459 102 Y N 1.071 121.426 120.300 0.093 0.000 2.145 102 Y HA -0.136 4.421 4.550 0.012 0.000 0.286 102 Y C 1.901 177.968 175.900 0.277 0.000 1.145 102 Y CA 1.189 59.342 58.100 0.088 0.000 1.148 102 Y CB -0.485 37.988 38.460 0.022 0.000 0.981 102 Y HN 0.190 nan 8.280 nan 0.000 0.507 103 F N 0.099 120.358 119.950 0.515 0.000 2.259 103 F HA -0.169 4.365 4.527 0.012 0.000 0.298 103 F C 2.187 178.239 175.800 0.421 0.000 1.088 103 F CA 0.956 59.277 58.000 0.533 0.000 1.358 103 F CB -0.951 38.368 39.000 0.531 0.000 1.040 103 F HN 0.096 nan 8.300 nan 0.000 0.505 104 N N 0.474 119.436 118.700 0.438 0.000 2.069 104 N HA -0.157 4.590 4.740 0.012 0.000 0.191 104 N C 1.999 177.601 175.510 0.153 0.000 1.031 104 N CA 1.206 54.403 53.050 0.246 0.000 0.852 104 N CB -0.375 38.191 38.487 0.132 0.000 1.018 104 N HN 0.281 nan 8.380 nan 0.000 0.423 105 R N -0.387 120.159 120.500 0.077 0.000 2.075 105 R HA -0.099 4.248 4.340 0.012 0.000 0.232 105 R C 2.143 178.541 176.300 0.163 0.000 1.126 105 R CA 1.206 57.278 56.100 -0.047 0.000 0.963 105 R CB -0.431 29.551 30.300 -0.530 0.000 0.858 105 R HN 0.422 nan 8.270 nan 0.000 0.435 106 H N -0.447 118.754 119.070 0.218 0.000 2.357 106 H HA -0.069 4.494 4.556 0.011 0.000 0.301 106 H C 1.138 176.271 175.328 -0.325 0.000 1.082 106 H CA 1.717 57.731 56.048 -0.056 0.000 1.342 106 H CB 0.068 29.701 29.762 -0.216 0.000 1.389 106 H HN 0.087 nan 8.280 nan 0.000 0.511 107 F N -0.088 119.812 119.950 -0.083 0.000 2.754 107 F HA 0.267 4.801 4.527 0.012 0.000 0.297 107 F C 0.855 176.377 175.800 -0.463 0.000 1.122 107 F CA 0.301 57.976 58.000 -0.541 0.000 1.400 107 F CB 0.204 39.085 39.000 -0.198 0.000 1.117 107 F HN -0.028 nan 8.300 nan 0.000 0.587 108 R N 1.024 121.499 120.500 -0.040 0.000 3.416 108 R HA -0.174 4.173 4.340 0.012 0.000 0.263 108 R C -0.822 175.514 176.300 0.061 0.000 1.053 108 R CA 0.538 56.629 56.100 -0.015 0.000 0.705 108 R CB -1.774 28.484 30.300 -0.071 0.000 1.124 108 R HN 0.243 nan 8.270 nan 0.000 0.444 109 E N -0.165 120.090 120.200 0.093 0.000 2.416 109 E HA 0.377 4.734 4.350 0.012 0.000 0.273 109 E C -2.487 174.162 176.600 0.082 0.000 0.935 109 E CA -2.101 54.350 56.400 0.086 0.000 0.784 109 E CB 1.878 31.616 29.700 0.063 0.000 1.301 109 E HN -0.110 nan 8.360 nan 0.000 0.454 110 P HA 0.132 nan 4.420 nan 0.000 0.271 110 P C -0.471 176.884 177.300 0.092 0.000 1.216 110 P CA -0.198 62.932 63.100 0.051 0.000 0.776 110 P CB 0.705 32.408 31.700 0.004 0.000 0.881 111 V N 2.997 122.972 119.914 0.101 0.000 2.407 111 V HA 0.217 4.344 4.120 0.012 0.000 0.291 111 V C 0.191 176.347 176.094 0.102 0.000 1.018 111 V CA -0.334 62.039 62.300 0.122 0.000 0.842 111 V CB 1.660 33.626 31.823 0.239 0.000 0.996 111 V HN 0.506 nan 8.190 nan 0.000 0.426 112 S N 3.649 119.392 115.700 0.072 0.000 2.457 112 S HA 0.688 5.165 4.470 0.012 0.000 0.289 112 S C -0.483 174.146 174.600 0.047 0.000 1.163 112 S CA -0.450 57.764 58.200 0.022 0.000 1.078 112 S CB 1.149 64.326 63.200 -0.039 0.000 0.987 112 S HN 0.963 nan 8.310 nan 0.000 0.482 113 C N 3.887 123.201 119.300 0.023 0.000 3.283 113 C HA 0.726 5.193 4.460 0.012 0.000 0.359 113 C C -1.013 173.979 174.990 0.003 0.000 1.160 113 C CA -0.503 58.556 59.018 0.069 0.000 1.232 113 C CB 0.109 27.954 27.740 0.174 0.000 1.571 113 C HN 0.833 nan 8.230 nan 0.000 0.522 114 V N 2.096 122.006 119.914 -0.006 0.000 3.158 114 V HA 0.999 5.126 4.120 0.012 0.000 0.315 114 V C -0.156 175.834 176.094 -0.173 0.000 1.148 114 V CA -0.270 61.973 62.300 -0.095 0.000 1.042 114 V CB 1.446 33.204 31.823 -0.108 0.000 1.101 114 V HN 1.263 nan 8.190 nan 0.000 0.448 115 S N -0.618 114.935 115.700 -0.245 0.000 2.632 115 S HA 0.589 5.065 4.470 0.012 0.000 0.289 115 S C -0.596 173.784 174.600 -0.366 0.000 1.115 115 S CA 0.061 58.093 58.200 -0.279 0.000 0.889 115 S CB 2.019 65.130 63.200 -0.149 0.000 1.116 115 S HN 1.056 nan 8.310 nan 0.000 0.486 116 D N 0.384 120.599 120.400 -0.308 0.000 2.402 116 D HA 0.250 4.897 4.640 0.012 0.000 0.216 116 D C 0.050 176.299 176.300 -0.084 0.000 1.128 116 D CA -0.144 53.755 54.000 -0.169 0.000 0.833 116 D CB -0.191 40.620 40.800 0.018 0.000 0.971 116 D HN 0.389 nan 8.370 nan 0.000 0.503 117 S N -0.016 115.621 115.700 -0.105 0.000 3.524 117 S HA -0.250 4.227 4.470 0.012 0.000 0.377 117 S C 0.181 174.745 174.600 -0.061 0.000 0.949 117 S CA 0.133 58.286 58.200 -0.077 0.000 1.264 117 S CB -1.735 61.431 63.200 -0.056 0.000 0.918 117 S HN 0.494 nan 8.310 nan 0.000 0.517 118 M N 2.038 121.590 119.600 -0.080 0.000 2.227 118 M HA 0.144 4.631 4.480 0.012 0.000 0.349 118 M C 1.264 177.543 176.300 -0.036 0.000 1.443 118 M CA 0.331 55.597 55.300 -0.057 0.000 1.110 118 M CB 0.461 33.004 32.600 -0.096 0.000 1.773 118 M HN 0.581 nan 8.290 nan 0.000 0.463 119 T N -1.501 113.046 114.554 -0.012 0.000 2.893 119 T HA 0.282 4.639 4.350 0.012 0.000 0.281 119 T C 0.925 175.627 174.700 0.003 0.000 1.027 119 T CA -0.761 61.335 62.100 -0.007 0.000 0.953 119 T CB 0.781 69.649 68.868 -0.001 0.000 1.434 119 T HN 0.719 nan 8.240 nan 0.000 0.597 120 E N 0.729 120.931 120.200 0.003 0.000 2.110 120 E HA -0.205 4.152 4.350 0.012 0.000 0.193 120 E C 1.788 178.389 176.600 0.003 0.000 0.988 120 E CA 1.690 58.088 56.400 -0.004 0.000 0.804 120 E CB -0.148 29.547 29.700 -0.008 0.000 0.745 120 E HN 0.748 nan 8.360 nan 0.000 0.458 121 D N 0.178 120.610 120.400 0.054 0.000 2.117 121 D HA -0.177 4.470 4.640 0.012 0.000 0.198 121 D C 1.830 178.235 176.300 0.174 0.000 0.982 121 D CA 1.202 55.289 54.000 0.145 0.000 0.828 121 D CB -0.295 40.651 40.800 0.244 0.000 0.967 121 D HN 0.227 nan 8.370 nan 0.000 0.464 122 A N 1.369 124.261 122.820 0.119 0.000 1.969 122 A HA 0.166 4.493 4.320 0.012 0.000 0.218 122 A C 2.474 180.100 177.584 0.069 0.000 1.169 122 A CA 1.800 53.903 52.037 0.111 0.000 0.635 122 A CB -0.629 18.407 19.000 0.060 0.000 0.810 122 A HN 0.349 nan 8.150 nan 0.000 0.445 123 A N 0.038 122.872 122.820 0.022 0.000 1.877 123 A HA -0.021 4.306 4.320 0.012 0.000 0.216 123 A C 2.354 179.916 177.584 -0.036 0.000 1.186 123 A CA 2.232 54.272 52.037 0.005 0.000 0.620 123 A CB -1.169 17.822 19.000 -0.013 0.000 0.822 123 A HN 1.170 nan 8.150 nan 0.000 0.443 124 V N -4.381 115.451 119.914 -0.136 0.000 2.488 124 V HA -0.019 4.108 4.120 0.012 0.000 0.246 124 V C 2.012 177.871 176.094 -0.391 0.000 1.046 124 V CA 1.733 63.844 62.300 -0.314 0.000 1.053 124 V CB -0.926 30.584 31.823 -0.523 0.000 0.679 124 V HN 0.323 nan 8.190 nan 0.000 0.458 125 F N 2.089 122.052 119.950 0.021 0.000 2.746 125 F HA 0.692 5.226 4.527 0.012 0.000 0.297 125 F C 1.462 177.277 175.800 0.024 0.000 1.113 125 F CA 0.324 58.333 58.000 0.015 0.000 1.367 125 F CB -0.112 38.884 39.000 -0.006 0.000 1.111 125 F HN 0.574 nan 8.300 nan 0.000 0.590 126 G N -0.229 108.677 108.800 0.176 0.000 2.662 126 G HA2 0.072 4.039 3.960 0.012 0.000 0.686 126 G HA3 0.072 4.039 3.960 0.012 0.000 0.686 126 G C 0.554 175.536 174.900 0.137 0.000 1.271 126 G CA -0.664 44.549 45.100 0.189 0.000 0.816 126 G HN 0.466 nan 8.290 nan 0.000 0.608 127 G N -0.703 108.238 108.800 0.235 0.000 3.383 127 G HA2 0.351 4.318 3.960 0.012 0.000 0.251 127 G HA3 0.351 4.318 3.960 0.012 0.000 0.251 127 G C 1.145 175.941 174.900 -0.173 0.000 1.203 127 G CA 1.317 46.553 45.100 0.227 0.000 0.852 127 G HN 0.905 nan 8.290 nan 0.000 0.531 128 Q N 0.440 119.786 119.800 -0.756 0.000 2.084 128 Q HA -0.158 4.189 4.340 0.012 0.000 0.202 128 Q C 2.374 178.095 176.000 -0.465 0.000 0.978 128 Q CA 1.921 57.110 55.803 -1.023 0.000 0.844 128 Q CB -0.208 27.996 28.738 -0.890 0.000 0.898 128 Q HN 0.428 nan 8.270 nan 0.000 0.426 129 Q N 0.212 119.837 119.800 -0.292 0.000 2.079 129 Q HA -0.049 4.298 4.340 0.012 0.000 0.200 129 Q C 1.616 177.510 176.000 -0.177 0.000 0.974 129 Q CA 2.060 57.722 55.803 -0.235 0.000 0.840 129 Q CB -0.279 28.367 28.738 -0.152 0.000 0.898 129 Q HN 0.601 nan 8.270 nan 0.000 0.430 130 N N -0.577 118.084 118.700 -0.065 0.000 2.166 130 N HA -0.189 4.558 4.740 0.012 0.000 0.186 130 N C 1.628 177.183 175.510 0.075 0.000 1.019 130 N CA 1.446 54.507 53.050 0.019 0.000 0.856 130 N CB -0.144 38.387 38.487 0.074 0.000 0.993 130 N HN 0.293 nan 8.380 nan 0.000 0.426 131 M N 1.857 121.500 119.600 0.072 0.000 2.132 131 M HA -0.091 4.396 4.480 0.012 0.000 0.263 131 M C 1.718 177.957 176.300 -0.102 0.000 1.065 131 M CA 1.604 56.951 55.300 0.079 0.000 1.122 131 M CB 0.052 32.640 32.600 -0.020 0.000 1.365 131 M HN -0.105 nan 8.290 nan 0.000 0.411 132 K N -0.209 119.988 120.400 -0.338 0.000 2.025 132 K HA -0.128 4.198 4.320 0.012 0.000 0.207 132 K C 1.691 177.970 176.600 -0.535 0.000 1.049 132 K CA 1.551 57.416 56.287 -0.704 0.000 0.933 132 K CB -0.324 31.246 32.500 -1.551 0.000 0.714 132 K HN 0.364 nan 8.250 nan 0.000 0.438 133 D N 0.106 120.291 120.400 -0.357 0.000 2.117 133 D HA -0.089 4.558 4.640 0.012 0.000 0.198 133 D C 2.022 178.361 176.300 0.066 0.000 0.982 133 D CA 1.308 55.263 54.000 -0.075 0.000 0.828 133 D CB -0.441 40.334 40.800 -0.041 0.000 0.967 133 D HN 0.330 nan 8.370 nan 0.000 0.464 134 G N 0.987 109.859 108.800 0.121 0.000 2.418 134 G HA2 -0.193 3.774 3.960 0.012 0.000 0.217 134 G HA3 -0.193 3.774 3.960 0.012 0.000 0.217 134 G C 1.829 176.960 174.900 0.384 0.000 1.158 134 G CA 0.289 45.561 45.100 0.286 0.000 0.771 134 G HN 0.229 nan 8.290 nan 0.000 0.545 135 L N -0.188 121.173 121.223 0.230 0.000 2.056 135 L HA -0.110 4.237 4.340 0.012 0.000 0.207 135 L C 2.991 179.918 176.870 0.095 0.000 1.078 135 L CA 1.573 56.465 54.840 0.086 0.000 0.749 135 L CB -0.457 41.562 42.059 -0.067 0.000 0.901 135 L HN 0.331 nan 8.230 nan 0.000 0.433 136 Q N 0.142 120.011 119.800 0.115 0.000 2.079 136 Q HA -0.197 4.150 4.340 0.012 0.000 0.200 136 Q C 1.979 178.033 176.000 0.090 0.000 0.974 136 Q CA 1.547 57.414 55.803 0.107 0.000 0.840 136 Q CB 0.128 29.003 28.738 0.229 0.000 0.898 136 Q HN 0.484 nan 8.270 nan 0.000 0.430 137 N N 0.293 119.069 118.700 0.126 0.000 2.142 137 N HA -0.154 4.593 4.740 0.012 0.000 0.186 137 N C 1.923 177.523 175.510 0.151 0.000 1.023 137 N CA 1.238 54.356 53.050 0.114 0.000 0.852 137 N CB -0.867 37.692 38.487 0.120 0.000 0.998 137 N HN 0.344 nan 8.380 nan 0.000 0.424 138 C N 1.709 121.153 119.300 0.240 0.000 2.429 138 C HA -0.022 4.445 4.460 0.012 0.000 0.277 138 C C 2.662 177.818 174.990 0.276 0.000 1.262 138 C CA 0.853 60.083 59.018 0.354 0.000 1.733 138 C CB -0.821 27.176 27.740 0.429 0.000 2.010 138 C HN 0.421 nan 8.230 nan 0.000 0.483 139 K N 0.453 120.940 120.400 0.145 0.000 2.026 139 K HA -0.092 4.235 4.320 0.012 0.000 0.208 139 K C 2.183 178.796 176.600 0.020 0.000 1.048 139 K CA 1.714 58.021 56.287 0.034 0.000 0.929 139 K CB -0.388 31.957 32.500 -0.258 0.000 0.713 139 K HN 0.527 nan 8.250 nan 0.000 0.439 140 A N 0.464 123.283 122.820 -0.002 0.000 1.873 140 A HA -0.107 4.220 4.320 0.012 0.000 0.215 140 A C 2.200 179.757 177.584 -0.045 0.000 1.186 140 A CA 2.096 54.120 52.037 -0.022 0.000 0.616 140 A CB -0.980 18.007 19.000 -0.023 0.000 0.823 140 A HN 0.444 nan 8.150 nan 0.000 0.442 141 T N -1.352 113.150 114.554 -0.086 0.000 2.737 141 T HA -0.092 4.265 4.350 0.012 0.000 0.265 141 T C 1.557 175.973 174.700 -0.473 0.000 1.038 141 T CA 1.776 63.695 62.100 -0.300 0.000 1.144 141 T CB -0.381 68.240 68.868 -0.412 0.000 0.866 141 T HN 0.544 nan 8.240 nan 0.000 0.434 142 Y N 0.807 121.188 120.300 0.135 0.000 2.478 142 Y HA 0.330 4.887 4.550 0.012 0.000 0.261 142 Y C 0.993 177.052 175.900 0.265 0.000 1.127 142 Y CA -0.529 57.687 58.100 0.193 0.000 1.288 142 Y CB -0.163 38.431 38.460 0.223 0.000 1.084 142 Y HN 0.076 nan 8.280 nan 0.000 0.530 143 K N 0.118 120.674 120.400 0.260 0.000 3.071 143 K HA -0.191 4.136 4.320 0.012 0.000 0.262 143 K C -2.702 174.025 176.600 0.212 0.000 0.977 143 K CA 0.208 56.622 56.287 0.212 0.000 0.721 143 K CB -1.464 31.126 32.500 0.150 0.000 1.293 143 K HN 0.315 nan 8.250 nan 0.000 0.475 144 P HA 0.035 nan 4.420 nan 0.000 0.274 144 P C -0.088 177.245 177.300 0.055 0.000 1.246 144 P CA -0.037 63.023 63.100 -0.067 0.000 0.795 144 P CB 0.669 32.411 31.700 0.069 0.000 1.006 145 D N -0.592 119.733 120.400 -0.125 0.000 2.305 145 D HA 0.136 4.783 4.640 0.012 0.000 0.206 145 D C 0.762 176.896 176.300 -0.277 0.000 0.974 145 D CA 1.158 55.108 54.000 -0.084 0.000 0.871 145 D CB 0.241 40.967 40.800 -0.124 0.000 0.947 145 D HN 0.335 nan 8.370 nan 0.000 0.516 146 M N 0.160 119.616 119.600 -0.239 0.000 2.465 146 M HA 0.353 4.840 4.480 0.012 0.000 0.284 146 M C -2.075 174.147 176.300 -0.131 0.000 1.212 146 M CA -0.505 54.580 55.300 -0.358 0.000 0.910 146 M CB 2.500 34.949 32.600 -0.252 0.000 1.725 146 M HN -0.335 nan 8.290 nan 0.000 0.477 147 I N 3.087 123.572 120.570 -0.141 0.000 2.418 147 I HA 0.590 4.767 4.170 0.012 0.000 0.287 147 I C -0.489 175.556 176.117 -0.120 0.000 1.008 147 I CA -0.735 60.563 61.300 -0.002 0.000 1.104 147 I CB 1.954 40.014 38.000 0.100 0.000 1.264 147 I HN 0.790 nan 8.210 nan 0.000 0.438 148 A N 7.013 129.793 122.820 -0.066 0.000 2.258 148 A HA 0.707 5.034 4.320 0.012 0.000 0.316 148 A C -0.544 177.034 177.584 -0.010 0.000 1.279 148 A CA -0.458 51.502 52.037 -0.129 0.000 0.876 148 A CB 0.837 19.738 19.000 -0.165 0.000 1.170 148 A HN 0.446 nan 8.150 nan 0.000 0.520 149 V N 3.183 123.082 119.914 -0.026 0.000 2.394 149 V HA 0.592 4.719 4.120 0.012 0.000 0.282 149 V C 0.531 176.677 176.094 0.087 0.000 1.031 149 V CA -0.005 62.344 62.300 0.082 0.000 0.881 149 V CB 1.034 32.863 31.823 0.010 0.000 0.982 149 V HN 1.082 nan 8.190 nan 0.000 0.451 150 S N 2.826 118.614 115.700 0.146 0.000 2.745 150 S HA 0.913 5.390 4.470 0.012 0.000 0.306 150 S C -0.295 174.404 174.600 0.165 0.000 1.137 150 S CA -0.525 57.736 58.200 0.102 0.000 0.900 150 S CB 2.263 65.501 63.200 0.064 0.000 1.176 150 S HN 0.883 nan 8.310 nan 0.000 0.520 151 T N -1.333 113.302 114.554 0.134 0.000 2.906 151 T HA 0.726 5.083 4.350 0.012 0.000 0.295 151 T C 0.165 174.952 174.700 0.144 0.000 1.061 151 T CA -0.476 61.725 62.100 0.170 0.000 1.000 151 T CB 1.098 70.072 68.868 0.177 0.000 1.103 151 T HN 1.003 nan 8.240 nan 0.000 0.486 152 T N -1.383 113.257 114.554 0.143 0.000 2.810 152 T HA 0.256 4.613 4.350 0.012 0.000 0.277 152 T C 2.006 176.768 174.700 0.103 0.000 0.973 152 T CA -0.162 62.026 62.100 0.146 0.000 0.949 152 T CB 0.081 69.011 68.868 0.104 0.000 1.075 152 T HN 1.131 nan 8.240 nan 0.000 0.537 153 C N 0.844 120.207 119.300 0.105 0.000 2.440 153 C HA -0.044 4.423 4.460 0.012 0.000 0.278 153 C C 2.759 177.878 174.990 0.215 0.000 1.295 153 C CA 0.870 59.968 59.018 0.135 0.000 1.738 153 C CB -2.122 25.745 27.740 0.213 0.000 1.987 153 C HN 0.962 nan 8.230 nan 0.000 0.492 154 M N 3.138 122.827 119.600 0.148 0.000 2.159 154 M HA 0.160 4.647 4.480 0.012 0.000 0.263 154 M C 2.189 178.569 176.300 0.133 0.000 1.063 154 M CA 2.475 57.850 55.300 0.125 0.000 1.110 154 M CB -1.095 31.546 32.600 0.068 0.000 1.374 154 M HN 0.200 nan 8.290 nan 0.000 0.411 155 A N 0.046 122.943 122.820 0.129 0.000 1.969 155 A HA -0.073 4.254 4.320 0.012 0.000 0.218 155 A C 2.146 179.855 177.584 0.208 0.000 1.169 155 A CA 1.505 53.648 52.037 0.177 0.000 0.635 155 A CB -0.574 18.555 19.000 0.215 0.000 0.810 155 A HN 0.579 nan 8.150 nan 0.000 0.445 156 E N -0.086 120.238 120.200 0.206 0.000 2.072 156 E HA -0.093 4.264 4.350 0.012 0.000 0.191 156 E C 2.223 178.989 176.600 0.276 0.000 0.985 156 E CA 1.238 57.776 56.400 0.231 0.000 0.801 156 E CB -0.542 29.252 29.700 0.156 0.000 0.750 156 E HN 0.380 nan 8.360 nan 0.000 0.452 157 V N 2.436 122.524 119.914 0.290 0.000 2.343 157 V HA -0.223 3.904 4.120 0.012 0.000 0.247 157 V C 2.459 178.619 176.094 0.111 0.000 1.051 157 V CA 1.827 64.237 62.300 0.183 0.000 1.036 157 V CB -0.664 31.229 31.823 0.118 0.000 0.654 157 V HN 0.349 nan 8.190 nan 0.000 0.451 158 I N -1.098 119.542 120.570 0.116 0.000 3.564 158 I HA 0.370 4.547 4.170 0.012 0.000 0.294 158 I C 1.372 177.549 176.117 0.100 0.000 1.289 158 I CA 0.824 62.181 61.300 0.095 0.000 1.325 158 I CB -0.704 37.357 38.000 0.101 0.000 1.039 158 I HN 0.367 nan 8.210 nan 0.000 0.474 159 G N 1.896 110.758 108.800 0.104 0.000 2.225 159 G HA2 -0.251 3.716 3.960 0.012 0.000 0.264 159 G HA3 -0.251 3.716 3.960 0.012 0.000 0.264 159 G C -0.466 174.462 174.900 0.047 0.000 1.060 159 G CA 0.233 45.372 45.100 0.064 0.000 0.833 159 G HN 0.526 nan 8.290 nan 0.000 0.498 160 D N 0.573 121.029 120.400 0.093 0.000 2.401 160 D HA 0.329 4.976 4.640 0.012 0.000 0.254 160 D C 0.343 176.393 176.300 -0.417 0.000 1.192 160 D CA 0.118 54.085 54.000 -0.055 0.000 0.885 160 D CB 0.929 41.897 40.800 0.281 0.000 1.147 160 D HN 0.223 nan 8.370 nan 0.000 0.478 161 D N 3.303 123.186 120.400 -0.862 0.000 2.374 161 D HA 0.043 4.690 4.640 0.012 0.000 0.240 161 D C 1.238 176.893 176.300 -1.076 0.000 1.229 161 D CA -0.238 53.365 54.000 -0.662 0.000 0.895 161 D CB 0.450 40.992 40.800 -0.430 0.000 1.046 161 D HN 0.318 nan 8.370 nan 0.000 0.498 162 L N 3.371 124.138 121.223 -0.760 0.000 2.046 162 L HA -0.183 4.164 4.340 0.012 0.000 0.208 162 L C 2.101 178.354 176.870 -1.029 0.000 1.077 162 L CA 0.916 55.231 54.840 -0.875 0.000 0.747 162 L CB -0.479 41.055 42.059 -0.874 0.000 0.896 162 L HN 0.399 nan 8.230 nan 0.000 0.432 163 N N 0.378 118.380 118.700 -1.162 0.000 2.084 163 N HA -0.183 4.564 4.740 0.012 0.000 0.190 163 N C 1.790 177.070 175.510 -0.385 0.000 1.030 163 N CA 1.686 54.178 53.050 -0.931 0.000 0.849 163 N CB -0.060 38.235 38.487 -0.320 0.000 1.012 163 N HN 0.278 nan 8.380 nan 0.000 0.423 164 A N -0.408 122.252 122.820 -0.266 0.000 1.898 164 A HA -0.023 4.304 4.320 0.012 0.000 0.216 164 A C 1.898 179.540 177.584 0.096 0.000 1.181 164 A CA 0.981 52.981 52.037 -0.060 0.000 0.620 164 A CB -0.919 18.072 19.000 -0.014 0.000 0.819 164 A HN 0.342 nan 8.150 nan 0.000 0.442 165 F N 0.080 119.905 119.950 -0.209 0.000 2.134 165 F HA -0.096 4.438 4.527 0.012 0.000 0.299 165 F C 2.212 177.891 175.800 -0.202 0.000 1.097 165 F CA 0.432 58.310 58.000 -0.204 0.000 1.264 165 F CB -1.030 37.801 39.000 -0.281 0.000 1.001 165 F HN 0.129 nan 8.300 nan 0.000 0.479 166 I N -0.104 120.433 120.570 -0.055 0.000 2.202 166 I HA -0.307 3.870 4.170 0.012 0.000 0.242 166 I C 2.163 178.266 176.117 -0.022 0.000 1.091 166 I CA 1.050 62.295 61.300 -0.092 0.000 1.368 166 I CB -0.470 37.417 38.000 -0.187 0.000 1.058 166 I HN 0.069 nan 8.210 nan 0.000 0.410 167 N N 1.158 119.845 118.700 -0.021 0.000 2.120 167 N HA -0.172 4.575 4.740 0.012 0.000 0.188 167 N C 1.492 177.025 175.510 0.038 0.000 1.024 167 N CA 1.508 54.568 53.050 0.017 0.000 0.852 167 N CB -0.695 37.798 38.487 0.010 0.000 1.003 167 N HN 0.478 nan 8.380 nan 0.000 0.424 168 N N 0.019 118.745 118.700 0.042 0.000 2.309 168 N HA -0.004 4.743 4.740 0.012 0.000 0.182 168 N C 1.573 177.134 175.510 0.085 0.000 1.018 168 N CA 0.641 53.724 53.050 0.054 0.000 0.876 168 N CB 0.060 38.572 38.487 0.040 0.000 0.972 168 N HN 0.078 nan 8.380 nan 0.000 0.434 169 S N 0.765 116.503 115.700 0.064 0.000 2.368 169 S HA -0.042 4.435 4.470 0.012 0.000 0.224 169 S C 1.685 176.399 174.600 0.189 0.000 1.029 169 S CA 0.977 59.250 58.200 0.121 0.000 0.988 169 S CB 0.016 63.226 63.200 0.016 0.000 0.838 169 S HN 0.283 nan 8.310 nan 0.000 0.462 170 K N 1.181 121.645 120.400 0.107 0.000 2.062 170 K HA -0.015 4.312 4.320 0.012 0.000 0.205 170 K C 2.246 178.887 176.600 0.070 0.000 1.051 170 K CA 0.778 57.118 56.287 0.088 0.000 0.941 170 K CB -0.123 32.423 32.500 0.076 0.000 0.719 170 K HN 0.074 nan 8.250 nan 0.000 0.440 171 K N 1.992 122.431 120.400 0.066 0.000 2.209 171 K HA -0.168 4.159 4.320 0.012 0.000 0.204 171 K C 0.875 177.499 176.600 0.040 0.000 1.048 171 K CA 1.596 57.910 56.287 0.046 0.000 0.940 171 K CB 0.143 32.669 32.500 0.043 0.000 0.729 171 K HN 0.213 nan 8.250 nan 0.000 0.451 172 E N -0.833 119.414 120.200 0.078 0.000 2.479 172 E HA 0.090 4.447 4.350 0.012 0.000 0.193 172 E C 0.501 177.042 176.600 -0.098 0.000 1.049 172 E CA 0.327 56.754 56.400 0.044 0.000 0.870 172 E CB 0.206 30.024 29.700 0.196 0.000 0.944 172 E HN 0.544 nan 8.360 nan 0.000 0.492 173 G N 0.805 109.573 108.800 -0.052 0.000 2.143 173 G HA2 -0.315 3.652 3.960 0.012 0.000 0.248 173 G HA3 -0.315 3.652 3.960 0.012 0.000 0.248 173 G C 0.516 175.296 174.900 -0.199 0.000 0.991 173 G CA 0.226 45.250 45.100 -0.126 0.000 0.689 173 G HN 0.311 nan 8.290 nan 0.000 0.522 174 F N 0.366 120.295 119.950 -0.036 0.000 2.186 174 F HA 0.253 4.787 4.527 0.012 0.000 0.299 174 F C 1.792 177.547 175.800 -0.075 0.000 1.090 174 F CA 1.783 59.756 58.000 -0.046 0.000 1.307 174 F CB 0.013 38.992 39.000 -0.035 0.000 1.019 174 F HN 0.491 nan 8.300 nan 0.000 0.489 175 I N -4.743 115.868 120.570 0.068 0.000 2.994 175 I HA 0.531 4.708 4.170 0.012 0.000 0.306 175 I C -2.994 173.109 176.117 -0.023 0.000 1.195 175 I CA -2.784 58.477 61.300 -0.065 0.000 1.001 175 I CB 1.630 39.566 38.000 -0.107 0.000 1.244 175 I HN -0.410 nan 8.210 nan 0.000 0.437 176 P HA 0.142 nan 4.420 nan 0.000 0.271 176 P C -0.265 177.109 177.300 0.124 0.000 1.218 176 P CA 0.048 63.173 63.100 0.042 0.000 0.780 176 P CB 0.749 32.481 31.700 0.053 0.000 0.901 177 D N 1.379 121.835 120.400 0.093 0.000 2.178 177 D HA -0.197 4.450 4.640 0.012 0.000 0.201 177 D C 0.898 177.268 176.300 0.118 0.000 0.980 177 D CA 1.444 55.502 54.000 0.096 0.000 0.842 177 D CB 0.138 40.972 40.800 0.057 0.000 0.948 177 D HN 0.361 nan 8.370 nan 0.000 0.472 178 E N -0.619 119.657 120.200 0.126 0.000 2.481 178 E HA 0.068 4.425 4.350 0.012 0.000 0.195 178 E C 0.059 176.756 176.600 0.161 0.000 1.047 178 E CA -0.185 56.285 56.400 0.117 0.000 0.867 178 E CB -0.411 29.345 29.700 0.093 0.000 0.858 178 E HN 0.332 nan 8.360 nan 0.000 0.513 179 F N 4.329 124.309 119.950 0.049 0.000 2.541 179 F HA 0.155 4.689 4.527 0.012 0.000 0.378 179 F C -2.045 173.778 175.800 0.039 0.000 1.068 179 F CA -2.999 55.025 58.000 0.041 0.000 1.199 179 F CB 0.602 39.615 39.000 0.022 0.000 1.091 179 F HN -0.115 nan 8.300 nan 0.000 0.555 180 P HA 0.103 nan 4.420 nan 0.000 0.282 180 P C -1.058 175.877 177.300 -0.608 0.000 1.274 180 P CA -0.055 62.807 63.100 -0.398 0.000 0.770 180 P CB 1.505 33.038 31.700 -0.279 0.000 0.867 181 V N 6.008 125.567 119.914 -0.593 0.000 2.462 181 V HA 0.197 4.324 4.120 0.012 0.000 0.257 181 V C -1.974 173.766 176.094 -0.589 0.000 0.944 181 V CA -1.673 60.358 62.300 -0.448 0.000 0.903 181 V CB 1.206 32.956 31.823 -0.123 0.000 1.128 181 V HN 0.535 nan 8.190 nan 0.000 0.486 182 P HA 0.316 nan 4.420 nan 0.000 0.271 182 P C -0.877 176.265 177.300 -0.263 0.000 1.218 182 P CA 0.200 62.861 63.100 -0.730 0.000 0.780 182 P CB 1.002 32.188 31.700 -0.857 0.000 0.901 183 F N -0.653 119.118 119.950 -0.299 0.000 2.626 183 F HA 0.857 5.391 4.527 0.012 0.000 0.311 183 F C -1.640 174.026 175.800 -0.223 0.000 1.088 183 F CA -1.653 56.198 58.000 -0.249 0.000 0.949 183 F CB 1.283 40.132 39.000 -0.251 0.000 1.322 183 F HN 0.497 nan 8.300 nan 0.000 0.461 184 A N 1.144 123.908 122.820 -0.094 0.000 2.459 184 A HA 0.516 4.843 4.320 0.012 0.000 0.296 184 A C -1.789 175.771 177.584 -0.040 0.000 1.039 184 A CA -0.666 51.294 52.037 -0.127 0.000 0.698 184 A CB 0.764 19.684 19.000 -0.134 0.000 1.261 184 A HN 0.909 nan 8.150 nan 0.000 0.405 185 H N 2.163 121.267 119.070 0.057 0.000 2.819 185 H HA 0.315 4.878 4.556 0.012 0.000 0.303 185 H C 0.194 175.522 175.328 -0.000 0.000 1.058 185 H CA 1.386 57.465 56.048 0.050 0.000 1.471 185 H CB 1.012 30.800 29.762 0.043 0.000 1.480 185 H HN 0.666 nan 8.280 nan 0.000 0.517 186 T N 1.896 116.497 114.554 0.079 0.000 3.390 186 T HA 0.224 4.581 4.350 0.012 0.000 0.351 186 T C -2.813 171.837 174.700 -0.083 0.000 1.759 186 T CA -1.967 60.136 62.100 0.004 0.000 1.561 186 T CB 0.718 69.587 68.868 0.002 0.000 1.011 186 T HN 0.303 nan 8.240 nan 0.000 0.689 187 P HA 0.135 nan 4.420 nan 0.000 0.271 187 P C 1.190 178.193 177.300 -0.495 0.000 1.220 187 P CA -0.125 62.658 63.100 -0.527 0.000 0.768 187 P CB 1.388 32.596 31.700 -0.820 0.000 0.848 188 S N 2.973 118.417 115.700 -0.427 0.000 2.447 188 S HA -0.158 4.319 4.470 0.012 0.000 0.233 188 S C 1.319 175.850 174.600 -0.114 0.000 1.006 188 S CA 0.560 58.655 58.200 -0.176 0.000 0.957 188 S CB -1.276 61.913 63.200 -0.018 0.000 0.773 188 S HN 0.474 nan 8.310 nan 0.000 0.507 189 F N 1.258 121.227 119.950 0.031 0.000 2.769 189 F HA 0.622 5.155 4.527 0.011 0.000 0.304 189 F C -0.090 175.717 175.800 0.012 0.000 1.158 189 F CA -1.068 56.942 58.000 0.017 0.000 1.398 189 F CB -0.671 38.340 39.000 0.017 0.000 1.094 189 F HN -0.059 nan 8.300 nan 0.000 0.553 190 V N 0.644 120.566 119.914 0.014 0.000 2.577 190 V HA 0.753 4.880 4.120 0.012 0.000 0.303 190 V C 0.693 176.782 176.094 -0.008 0.000 1.042 190 V CA -0.670 61.655 62.300 0.043 0.000 0.872 190 V CB 0.690 32.526 31.823 0.022 0.000 0.998 190 V HN 0.614 nan 8.190 nan 0.000 0.423 191 G N 4.902 113.702 108.800 0.001 0.000 2.611 191 G HA2 -0.143 3.824 3.960 0.012 0.000 0.301 191 G HA3 -0.143 3.824 3.960 0.012 0.000 0.301 191 G C 0.241 175.099 174.900 -0.069 0.000 1.233 191 G CA 0.966 46.046 45.100 -0.033 0.000 0.993 191 G HN 1.953 nan 8.290 nan 0.000 0.553 192 S N -2.687 112.953 115.700 -0.100 0.000 2.873 192 S HA 0.588 5.065 4.470 0.012 0.000 0.303 192 S C 1.086 175.605 174.600 -0.135 0.000 1.222 192 S CA 0.739 58.875 58.200 -0.106 0.000 0.923 192 S CB 0.676 63.784 63.200 -0.154 0.000 1.286 192 S HN 1.836 nan 8.310 nan 0.000 0.571 193 H N 0.988 119.953 119.070 -0.174 0.000 2.421 193 H HA -0.033 4.530 4.556 0.012 0.000 0.298 193 H C 2.122 177.322 175.328 -0.213 0.000 1.087 193 H CA 2.122 58.059 56.048 -0.186 0.000 1.330 193 H CB -1.178 28.419 29.762 -0.275 0.000 1.388 193 H HN 0.573 nan 8.280 nan 0.000 0.526 194 V N -0.079 119.219 119.914 -1.026 0.000 2.515 194 V HA -0.152 3.975 4.120 0.012 0.000 0.250 194 V C 2.245 178.255 176.094 -0.140 0.000 1.058 194 V CA 1.850 63.708 62.300 -0.736 0.000 1.064 194 V CB -1.196 29.980 31.823 -1.078 0.000 0.675 194 V HN 0.365 nan 8.190 nan 0.000 0.461 195 T N 1.418 115.901 114.554 -0.118 0.000 2.777 195 T HA 0.005 4.362 4.350 0.012 0.000 0.266 195 T C 1.976 176.742 174.700 0.109 0.000 1.040 195 T CA 1.678 63.799 62.100 0.036 0.000 1.141 195 T CB -0.908 67.956 68.868 -0.006 0.000 0.868 195 T HN 0.687 nan 8.240 nan 0.000 0.444 196 G N -0.359 108.491 108.800 0.083 0.000 2.448 196 G HA2 -0.215 3.752 3.960 0.012 0.000 0.219 196 G HA3 -0.215 3.752 3.960 0.012 0.000 0.219 196 G C 1.319 176.346 174.900 0.210 0.000 1.127 196 G CA 0.353 45.519 45.100 0.110 0.000 0.766 196 G HN 0.584 nan 8.290 nan 0.000 0.552 197 W N 0.836 122.229 121.300 0.156 0.000 2.381 197 W HA -0.024 4.643 4.660 0.012 0.000 0.301 197 W C 2.199 178.863 176.519 0.242 0.000 1.205 197 W CA 1.209 58.705 57.345 0.252 0.000 1.285 197 W CB 0.144 29.819 29.460 0.359 0.000 1.133 197 W HN 0.235 nan 8.180 nan 0.000 0.521 198 D N -0.099 120.670 120.400 0.616 0.000 2.117 198 D HA -0.227 4.420 4.640 0.012 0.000 0.197 198 D C 1.770 178.232 176.300 0.270 0.000 0.987 198 D CA 1.580 55.858 54.000 0.464 0.000 0.829 198 D CB -0.453 40.535 40.800 0.313 0.000 0.961 198 D HN 0.010 nan 8.370 nan 0.000 0.460 199 N N -0.295 118.505 118.700 0.167 0.000 2.142 199 N HA -0.140 4.607 4.740 0.012 0.000 0.186 199 N C 1.683 177.184 175.510 -0.015 0.000 1.023 199 N CA 0.772 53.858 53.050 0.061 0.000 0.852 199 N CB -0.383 38.129 38.487 0.042 0.000 0.998 199 N HN 0.259 nan 8.380 nan 0.000 0.424 200 M N -0.190 119.391 119.600 -0.031 0.000 2.132 200 M HA -0.026 4.461 4.480 0.012 0.000 0.263 200 M C 1.795 177.972 176.300 -0.205 0.000 1.065 200 M CA 1.174 56.384 55.300 -0.149 0.000 1.122 200 M CB -0.593 31.890 32.600 -0.195 0.000 1.365 200 M HN 0.110 nan 8.290 nan 0.000 0.411 201 F N 0.448 120.230 119.950 -0.280 0.000 2.134 201 F HA -0.177 4.357 4.527 0.012 0.000 0.299 201 F C 2.330 178.055 175.800 -0.126 0.000 1.097 201 F CA 1.935 59.812 58.000 -0.204 0.000 1.264 201 F CB -0.335 38.624 39.000 -0.069 0.000 1.001 201 F HN 0.232 nan 8.300 nan 0.000 0.479 202 E N 0.206 120.413 120.200 0.012 0.000 2.106 202 E HA -0.130 4.227 4.350 0.012 0.000 0.192 202 E C 2.408 178.738 176.600 -0.450 0.000 0.984 202 E CA 1.057 57.337 56.400 -0.200 0.000 0.806 202 E CB -0.587 29.056 29.700 -0.094 0.000 0.750 202 E HN 0.523 nan 8.360 nan 0.000 0.458 203 G N 1.228 109.800 108.800 -0.381 0.000 2.402 203 G HA2 -0.208 3.759 3.960 0.012 0.000 0.216 203 G HA3 -0.208 3.759 3.960 0.012 0.000 0.216 203 G C 1.722 176.342 174.900 -0.467 0.000 1.162 203 G CA 0.636 45.454 45.100 -0.470 0.000 0.777 203 G HN 0.220 nan 8.290 nan 0.000 0.539 204 I N 1.280 121.565 120.570 -0.476 0.000 2.252 204 I HA -0.116 4.061 4.170 0.012 0.000 0.245 204 I C 3.269 179.248 176.117 -0.230 0.000 1.102 204 I CA 0.932 61.964 61.300 -0.446 0.000 1.385 204 I CB -0.178 37.405 38.000 -0.695 0.000 1.064 204 I HN 0.236 nan 8.210 nan 0.000 0.414 205 A N 0.833 123.434 122.820 -0.365 0.000 1.898 205 A HA -0.232 4.095 4.320 0.012 0.000 0.216 205 A C 2.455 179.980 177.584 -0.099 0.000 1.181 205 A CA 1.675 53.650 52.037 -0.103 0.000 0.620 205 A CB -0.640 18.243 19.000 -0.195 0.000 0.819 205 A HN 0.358 nan 8.150 nan 0.000 0.442 206 R N -2.000 118.146 120.500 -0.590 0.000 2.096 206 R HA -0.196 4.151 4.340 0.012 0.000 0.235 206 R C 2.033 178.214 176.300 -0.200 0.000 1.127 206 R CA 1.920 57.649 56.100 -0.618 0.000 0.968 206 R CB -0.495 29.349 30.300 -0.760 0.000 0.861 206 R HN 0.619 nan 8.270 nan 0.000 0.440 207 Y N -0.058 120.023 120.300 -0.364 0.000 2.200 207 Y HA -0.179 4.378 4.550 0.012 0.000 0.290 207 Y C 1.407 177.090 175.900 -0.362 0.000 1.137 207 Y CA 1.775 59.633 58.100 -0.403 0.000 1.163 207 Y CB -0.151 37.952 38.460 -0.595 0.000 0.988 207 Y HN 0.011 nan 8.280 nan 0.000 0.518 208 F N -0.666 119.348 119.950 0.106 0.000 2.710 208 F HA -0.002 4.532 4.527 0.011 0.000 0.298 208 F C 2.055 177.890 175.800 0.059 0.000 1.137 208 F CA 1.338 59.382 58.000 0.073 0.000 1.444 208 F CB -0.184 38.872 39.000 0.094 0.000 1.111 208 F HN 0.170 nan 8.300 nan 0.000 0.580 209 T N -4.252 110.476 114.554 0.289 0.000 3.087 209 T HA 0.126 4.483 4.350 0.012 0.000 0.283 209 T C 1.454 176.323 174.700 0.283 0.000 0.956 209 T CA 0.020 62.301 62.100 0.301 0.000 0.894 209 T CB -0.457 68.708 68.868 0.495 0.000 1.160 209 T HN 0.094 nan 8.240 nan 0.000 0.532 210 L N 1.624 122.974 121.223 0.211 0.000 2.056 210 L HA 0.233 4.580 4.340 0.012 0.000 0.207 210 L C 2.261 179.176 176.870 0.075 0.000 1.078 210 L CA 1.679 56.623 54.840 0.174 0.000 0.749 210 L CB -0.341 41.770 42.059 0.086 0.000 0.901 210 L HN 0.001 nan 8.230 nan 0.000 0.433 211 K N -0.128 120.275 120.400 0.006 0.000 2.001 211 K HA 0.032 4.359 4.320 0.012 0.000 0.208 211 K C 1.491 178.095 176.600 0.007 0.000 1.048 211 K CA 1.336 57.615 56.287 -0.013 0.000 0.932 211 K CB -0.770 31.694 32.500 -0.060 0.000 0.715 211 K HN 0.528 nan 8.250 nan 0.000 0.437 212 S N 1.142 116.850 115.700 0.012 0.000 3.149 212 S HA 0.184 4.661 4.470 0.012 0.000 0.228 212 S C 1.035 175.646 174.600 0.019 0.000 1.393 212 S CA -0.291 57.916 58.200 0.013 0.000 1.224 212 S CB -0.004 63.199 63.200 0.005 0.000 1.112 212 S HN 0.007 nan 8.310 nan 0.000 0.502 213 M N 1.147 120.765 119.600 0.030 0.000 2.556 213 M HA 0.111 4.598 4.480 0.012 0.000 0.245 213 M C 0.789 177.094 176.300 0.008 0.000 1.128 213 M CA 0.258 55.573 55.300 0.025 0.000 1.069 213 M CB -0.962 31.666 32.600 0.046 0.000 1.469 213 M HN 0.344 nan 8.290 nan 0.000 0.494 214 D N 1.607 122.010 120.400 0.006 0.000 2.123 214 D HA -0.160 4.487 4.640 0.012 0.000 0.196 214 D C 1.188 177.486 176.300 -0.004 0.000 0.992 214 D CA 1.512 55.513 54.000 0.002 0.000 0.833 214 D CB -0.127 40.673 40.800 0.001 0.000 0.954 214 D HN 0.479 nan 8.370 nan 0.000 0.455 215 D N -0.251 120.144 120.400 -0.008 0.000 2.339 215 D HA -0.042 4.605 4.640 0.012 0.000 0.217 215 D C 0.200 176.487 176.300 -0.021 0.000 1.050 215 D CA 0.033 54.025 54.000 -0.013 0.000 0.856 215 D CB 0.080 40.872 40.800 -0.013 0.000 0.922 215 D HN -0.081 nan 8.370 nan 0.000 0.518 216 K N 0.698 121.083 120.400 -0.026 0.000 2.218 216 K HA 0.449 4.776 4.320 0.012 0.000 0.276 216 K C -0.298 176.287 176.600 -0.024 0.000 1.022 216 K CA -0.745 55.517 56.287 -0.041 0.000 0.946 216 K CB 2.449 34.906 32.500 -0.072 0.000 1.000 216 K HN -0.094 nan 8.250 nan 0.000 0.468 217 V N 2.538 122.439 119.914 -0.022 0.000 2.638 217 V HA 0.177 4.304 4.120 0.012 0.000 0.306 217 V C -0.151 175.946 176.094 0.005 0.000 1.052 217 V CA -1.144 61.153 62.300 -0.006 0.000 0.885 217 V CB 2.218 34.036 31.823 -0.009 0.000 0.999 217 V HN 0.436 nan 8.190 nan 0.000 0.424 218 V N 4.346 124.279 119.914 0.031 0.000 2.572 218 V HA 0.458 4.585 4.120 0.012 0.000 0.291 218 V C 1.435 177.532 176.094 0.006 0.000 1.039 218 V CA 1.545 63.880 62.300 0.057 0.000 1.055 218 V CB 0.580 32.464 31.823 0.101 0.000 0.969 218 V HN 1.344 nan 8.190 nan 0.000 0.482 219 G N 3.990 112.778 108.800 -0.020 0.000 2.179 219 G HA2 -0.317 3.650 3.960 0.012 0.000 0.260 219 G HA3 -0.317 3.650 3.960 0.012 0.000 0.260 219 G C 1.109 175.991 174.900 -0.031 0.000 0.977 219 G CA 0.988 46.062 45.100 -0.043 0.000 0.641 219 G HN 1.093 nan 8.290 nan 0.000 0.533 220 S N 1.070 116.756 115.700 -0.024 0.000 2.383 220 S HA -0.141 4.336 4.470 0.012 0.000 0.227 220 S C 1.920 176.502 174.600 -0.030 0.000 1.026 220 S CA 1.724 59.909 58.200 -0.025 0.000 0.981 220 S CB -0.393 62.793 63.200 -0.024 0.000 0.818 220 S HN 1.116 nan 8.310 nan 0.000 0.472 221 N N 1.133 119.812 118.700 -0.035 0.000 2.398 221 N HA 0.034 4.781 4.740 0.012 0.000 0.188 221 N C 0.092 175.582 175.510 -0.034 0.000 1.122 221 N CA 0.304 53.332 53.050 -0.037 0.000 0.866 221 N CB -0.710 37.751 38.487 -0.044 0.000 0.970 221 N HN 0.523 nan 8.380 nan 0.000 0.462 222 K N -0.960 119.421 120.400 -0.032 0.000 3.069 222 K HA -0.207 4.120 4.320 0.012 0.000 0.267 222 K C -0.905 175.682 176.600 -0.021 0.000 1.082 222 K CA 0.807 57.077 56.287 -0.029 0.000 0.782 222 K CB -1.323 31.162 32.500 -0.024 0.000 1.230 222 K HN 0.455 nan 8.250 nan 0.000 0.488 223 K N 0.196 120.584 120.400 -0.019 0.000 2.385 223 K HA 0.554 4.881 4.320 0.012 0.000 0.248 223 K C -0.296 176.316 176.600 0.019 0.000 0.955 223 K CA -0.917 55.374 56.287 0.006 0.000 0.816 223 K CB 1.848 34.346 32.500 -0.003 0.000 1.250 223 K HN -0.013 nan 8.250 nan 0.000 0.434 224 I N 2.442 123.053 120.570 0.068 0.000 2.339 224 I HA 0.179 4.356 4.170 0.012 0.000 0.290 224 I C -0.370 175.836 176.117 0.148 0.000 0.994 224 I CA -0.899 60.444 61.300 0.072 0.000 1.191 224 I CB 1.226 39.255 38.000 0.049 0.000 1.343 224 I HN 0.399 nan 8.210 nan 0.000 0.458 225 N N 7.112 125.914 118.700 0.170 0.000 2.520 225 N HA 0.371 5.118 4.740 0.012 0.000 0.273 225 N C -0.664 174.987 175.510 0.235 0.000 1.155 225 N CA -0.108 53.092 53.050 0.250 0.000 0.967 225 N CB 1.633 40.340 38.487 0.368 0.000 1.092 225 N HN 0.340 nan 8.380 nan 0.000 0.457 226 I N 2.418 123.131 120.570 0.238 0.000 2.418 226 I HA 0.267 4.444 4.170 0.012 0.000 0.287 226 I C -0.383 175.834 176.117 0.166 0.000 1.008 226 I CA -0.710 60.697 61.300 0.179 0.000 1.104 226 I CB 1.560 39.650 38.000 0.151 0.000 1.264 226 I HN 0.024 nan 8.210 nan 0.000 0.438 227 V N 9.156 129.114 119.914 0.073 0.000 2.357 227 V HA 0.307 4.434 4.120 0.012 0.000 0.284 227 V C -1.340 174.658 176.094 -0.160 0.000 1.018 227 V CA -1.035 61.242 62.300 -0.038 0.000 0.841 227 V CB 1.814 33.495 31.823 -0.236 0.000 0.991 227 V HN 0.562 nan 8.190 nan 0.000 0.437 228 P HA 0.098 nan 4.420 nan 0.000 0.218 228 P C 0.741 177.717 177.300 -0.541 0.000 1.152 228 P CA 1.582 64.510 63.100 -0.287 0.000 0.826 228 P CB 0.580 32.191 31.700 -0.149 0.000 0.790 229 G N 0.261 108.432 108.800 -1.049 0.000 2.728 229 G HA2 -0.229 3.738 3.960 0.012 0.000 0.294 229 G HA3 -0.229 3.738 3.960 0.012 0.000 0.294 229 G C -1.026 173.103 174.900 -1.285 0.000 1.342 229 G CA -0.512 43.795 45.100 -1.323 0.000 0.866 229 G HN 0.263 nan 8.290 nan 0.000 0.534 230 F N 1.679 121.152 119.950 -0.795 0.000 2.506 230 F HA 0.544 5.077 4.527 0.011 0.000 0.369 230 F C 0.472 176.127 175.800 -0.242 0.000 1.114 230 F CA 0.507 58.195 58.000 -0.521 0.000 1.121 230 F CB 0.694 39.495 39.000 -0.331 0.000 1.104 230 F HN 0.655 nan 8.300 nan 0.000 0.564 231 E N 3.159 123.161 120.200 -0.331 0.000 2.256 231 E HA 0.311 4.668 4.350 0.012 0.000 0.268 231 E C -0.100 176.456 176.600 -0.074 0.000 0.877 231 E CA -0.433 55.857 56.400 -0.183 0.000 0.757 231 E CB 1.469 30.901 29.700 -0.447 0.000 1.183 231 E HN 0.489 nan 8.360 nan 0.000 0.418 232 T N 0.689 115.198 114.554 -0.075 0.000 3.084 232 T HA 0.266 4.623 4.350 0.012 0.000 0.270 232 T C -0.243 174.520 174.700 0.106 0.000 1.008 232 T CA -0.122 61.973 62.100 -0.009 0.000 0.900 232 T CB -0.271 68.316 68.868 -0.468 0.000 1.084 232 T HN 0.259 nan 8.240 nan 0.000 0.538 233 Y N 1.582 122.051 120.300 0.281 0.000 2.369 233 Y HA 0.524 5.081 4.550 0.011 0.000 0.337 233 Y C 1.262 177.364 175.900 0.337 0.000 0.961 233 Y CA -1.912 56.349 58.100 0.267 0.000 1.186 233 Y CB 1.055 39.593 38.460 0.131 0.000 1.139 233 Y HN -0.016 nan 8.280 nan 0.000 0.494 234 L N 2.157 123.701 121.223 0.534 0.000 2.042 234 L HA -0.186 4.161 4.340 0.012 0.000 0.210 234 L C 2.308 179.394 176.870 0.360 0.000 1.076 234 L CA 1.652 56.767 54.840 0.459 0.000 0.749 234 L CB -0.554 41.703 42.059 0.331 0.000 0.893 234 L HN 0.928 nan 8.230 nan 0.000 0.432 235 G N -0.372 108.582 108.800 0.257 0.000 2.479 235 G HA2 -0.259 3.708 3.960 0.012 0.000 0.220 235 G HA3 -0.259 3.708 3.960 0.012 0.000 0.220 235 G C 1.384 176.343 174.900 0.099 0.000 1.115 235 G CA 0.605 45.790 45.100 0.143 0.000 0.757 235 G HN 0.327 nan 8.290 nan 0.000 0.560 236 N N 0.317 119.077 118.700 0.101 0.000 2.142 236 N HA -0.033 4.714 4.740 0.012 0.000 0.186 236 N C 1.796 177.232 175.510 -0.123 0.000 1.023 236 N CA 0.647 53.655 53.050 -0.070 0.000 0.852 236 N CB -0.408 37.987 38.487 -0.153 0.000 0.998 236 N HN 0.364 nan 8.380 nan 0.000 0.424 237 F N 1.418 121.373 119.950 0.008 0.000 2.146 237 F HA -0.005 4.529 4.527 0.011 0.000 0.298 237 F C 2.382 178.168 175.800 -0.024 0.000 1.096 237 F CA 0.907 58.899 58.000 -0.012 0.000 1.275 237 F CB -0.126 38.879 39.000 0.009 0.000 1.008 237 F HN -0.053 nan 8.300 nan 0.000 0.480 238 R N -0.392 120.221 120.500 0.189 0.000 2.075 238 R HA -0.108 4.239 4.340 0.012 0.000 0.232 238 R C 2.286 178.602 176.300 0.025 0.000 1.126 238 R CA 1.285 57.443 56.100 0.097 0.000 0.963 238 R CB -0.961 29.395 30.300 0.092 0.000 0.858 238 R HN 0.224 nan 8.270 nan 0.000 0.435 239 V N 1.286 121.195 119.914 -0.009 0.000 2.427 239 V HA -0.176 3.951 4.120 0.012 0.000 0.248 239 V C 1.961 177.999 176.094 -0.093 0.000 1.051 239 V CA 1.497 63.765 62.300 -0.052 0.000 1.048 239 V CB -0.205 31.570 31.823 -0.080 0.000 0.666 239 V HN 0.243 nan 8.190 nan 0.000 0.456 240 I N -0.018 120.474 120.570 -0.130 0.000 2.252 240 I HA -0.171 4.006 4.170 0.012 0.000 0.245 240 I C 2.508 178.509 176.117 -0.193 0.000 1.102 240 I CA 1.651 62.848 61.300 -0.171 0.000 1.385 240 I CB -1.144 36.729 38.000 -0.211 0.000 1.064 240 I HN 0.384 nan 8.210 nan 0.000 0.414 241 K N 0.050 120.340 120.400 -0.184 0.000 2.057 241 K HA -0.163 4.164 4.320 0.012 0.000 0.206 241 K C 2.259 178.772 176.600 -0.146 0.000 1.050 241 K CA 0.751 56.867 56.287 -0.285 0.000 0.935 241 K CB -0.139 32.333 32.500 -0.047 0.000 0.715 241 K HN 0.143 nan 8.250 nan 0.000 0.439 242 R N 1.348 121.817 120.500 -0.051 0.000 2.075 242 R HA -0.030 4.317 4.340 0.012 0.000 0.232 242 R C 2.041 178.337 176.300 -0.006 0.000 1.126 242 R CA 1.400 57.498 56.100 -0.003 0.000 0.963 242 R CB -0.202 30.104 30.300 0.009 0.000 0.858 242 R HN 0.225 nan 8.270 nan 0.000 0.435 243 M N 0.387 119.970 119.600 -0.027 0.000 2.175 243 M HA -0.131 4.356 4.480 0.012 0.000 0.264 243 M C 2.324 178.630 176.300 0.010 0.000 1.063 243 M CA 1.383 56.687 55.300 0.007 0.000 1.119 243 M CB -0.188 32.421 32.600 0.015 0.000 1.377 243 M HN 0.083 nan 8.290 nan 0.000 0.415 244 L N -0.903 120.290 121.223 -0.050 0.000 2.046 244 L HA -0.177 4.170 4.340 0.012 0.000 0.208 244 L C 2.558 179.466 176.870 0.063 0.000 1.077 244 L CA 1.032 55.849 54.840 -0.039 0.000 0.747 244 L CB -0.678 41.229 42.059 -0.253 0.000 0.896 244 L HN 0.221 nan 8.230 nan 0.000 0.432 245 S N -0.692 115.062 115.700 0.089 0.000 2.402 245 S HA -0.218 4.259 4.470 0.012 0.000 0.229 245 S C 1.887 176.541 174.600 0.090 0.000 1.021 245 S CA 1.232 59.526 58.200 0.157 0.000 0.974 245 S CB -0.154 63.149 63.200 0.172 0.000 0.800 245 S HN 0.412 nan 8.310 nan 0.000 0.484 246 E N 0.814 121.052 120.200 0.063 0.000 2.110 246 E HA -0.066 4.291 4.350 0.012 0.000 0.193 246 E C 1.711 178.340 176.600 0.048 0.000 0.988 246 E CA 0.945 57.376 56.400 0.052 0.000 0.804 246 E CB -0.066 29.663 29.700 0.048 0.000 0.745 246 E HN 0.476 nan 8.360 nan 0.000 0.458 247 M N -1.115 118.515 119.600 0.049 0.000 2.556 247 M HA 0.131 4.618 4.480 0.012 0.000 0.245 247 M C 1.080 177.404 176.300 0.041 0.000 1.128 247 M CA 0.742 56.066 55.300 0.040 0.000 1.069 247 M CB 0.880 33.499 32.600 0.031 0.000 1.469 247 M HN 0.307 nan 8.290 nan 0.000 0.494 248 G N 1.226 110.061 108.800 0.058 0.000 2.160 248 G HA2 -0.188 3.779 3.960 0.012 0.000 0.244 248 G HA3 -0.188 3.779 3.960 0.012 0.000 0.244 248 G C -0.127 174.812 174.900 0.065 0.000 1.022 248 G CA -0.265 44.870 45.100 0.058 0.000 0.741 248 G HN 0.310 nan 8.290 nan 0.000 0.508 249 V N 0.598 120.567 119.914 0.093 0.000 2.498 249 V HA 0.651 4.778 4.120 0.012 0.000 0.279 249 V C 1.367 177.564 176.094 0.172 0.000 1.048 249 V CA 0.095 62.456 62.300 0.101 0.000 0.967 249 V CB 1.527 33.399 31.823 0.081 0.000 0.988 249 V HN 0.739 nan 8.190 nan 0.000 0.473 250 G N 4.391 113.250 108.800 0.098 0.000 2.403 250 G HA2 0.478 4.445 3.960 0.012 0.000 0.259 250 G HA3 0.478 4.445 3.960 0.012 0.000 0.259 250 G C -0.930 174.049 174.900 0.131 0.000 1.244 250 G CA -0.017 45.114 45.100 0.051 0.000 0.849 250 G HN 0.921 nan 8.290 nan 0.000 0.532 251 Y N -0.719 119.592 120.300 0.018 0.000 2.609 251 Y HA 0.770 5.327 4.550 0.012 0.000 0.336 251 Y C -0.607 175.317 175.900 0.040 0.000 1.129 251 Y CA -1.579 56.541 58.100 0.034 0.000 1.040 251 Y CB 1.613 40.103 38.460 0.049 0.000 1.310 251 Y HN 0.540 nan 8.280 nan 0.000 0.460 252 S N 2.589 118.442 115.700 0.254 0.000 2.733 252 S HA 0.539 5.015 4.470 0.012 0.000 0.294 252 S C -2.030 172.746 174.600 0.294 0.000 1.149 252 S CA -0.575 57.725 58.200 0.167 0.000 1.034 252 S CB 0.772 64.021 63.200 0.083 0.000 1.015 252 S HN 0.813 nan 8.310 nan 0.000 0.486 253 L N 6.828 128.237 121.223 0.309 0.000 2.260 253 L HA 0.585 4.932 4.340 0.012 0.000 0.289 253 L C -1.176 175.813 176.870 0.198 0.000 1.057 253 L CA -0.153 54.848 54.840 0.268 0.000 0.811 253 L CB 0.536 42.756 42.059 0.269 0.000 1.184 253 L HN 0.651 nan 8.230 nan 0.000 0.429 254 L N 5.502 126.890 121.223 0.276 0.000 2.257 254 L HA 0.482 4.829 4.340 0.012 0.000 0.290 254 L C 0.436 177.480 176.870 0.291 0.000 1.044 254 L CA -0.640 54.389 54.840 0.316 0.000 0.810 254 L CB 0.924 43.373 42.059 0.651 0.000 1.193 254 L HN 0.874 nan 8.230 nan 0.000 0.425 255 S N 2.389 117.909 115.700 -0.300 0.000 3.828 255 S HA -0.146 4.331 4.470 0.012 0.000 0.722 255 S C -0.779 173.780 174.600 -0.069 0.000 0.508 255 S CA -0.276 57.667 58.200 -0.429 0.000 1.434 255 S CB -0.540 62.875 63.200 0.359 0.000 0.825 255 S HN 0.872 nan 8.310 nan 0.000 1.023 256 D N 5.066 125.311 120.400 -0.259 0.000 2.438 256 D HA 0.467 5.114 4.640 0.012 0.000 0.257 256 D C -1.091 174.975 176.300 -0.391 0.000 1.148 256 D CA -1.902 51.952 54.000 -0.244 0.000 0.902 256 D CB 1.341 42.068 40.800 -0.122 0.000 1.062 256 D HN 0.312 nan 8.370 nan 0.000 0.518 257 P HA -0.017 nan 4.420 nan 0.000 0.245 257 P C 1.016 178.004 177.300 -0.519 0.000 1.206 257 P CA 0.285 63.077 63.100 -0.513 0.000 0.781 257 P CB 0.412 31.817 31.700 -0.493 0.000 0.994 258 E N 1.201 121.031 120.200 -0.616 0.000 2.086 258 E HA -0.251 4.106 4.350 0.012 0.000 0.200 258 E C 1.716 178.208 176.600 -0.181 0.000 1.012 258 E CA 1.431 57.629 56.400 -0.336 0.000 0.812 258 E CB -0.708 28.876 29.700 -0.193 0.000 0.743 258 E HN 0.095 nan 8.360 nan 0.000 0.453 259 E N 0.395 120.501 120.200 -0.156 0.000 2.047 259 E HA -0.112 4.245 4.350 0.012 0.000 0.191 259 E C 2.315 178.860 176.600 -0.093 0.000 0.987 259 E CA 1.211 57.555 56.400 -0.093 0.000 0.799 259 E CB -0.441 29.218 29.700 -0.068 0.000 0.752 259 E HN 0.292 nan 8.360 nan 0.000 0.449 260 V N 1.133 120.972 119.914 -0.124 0.000 2.759 260 V HA -0.126 4.001 4.120 0.012 0.000 0.256 260 V C 1.911 177.920 176.094 -0.142 0.000 1.080 260 V CA 0.960 63.195 62.300 -0.108 0.000 1.101 260 V CB -0.194 31.575 31.823 -0.090 0.000 0.698 260 V HN 0.167 nan 8.190 nan 0.000 0.477 261 L N -0.424 120.670 121.223 -0.216 0.000 2.592 261 L HA 0.281 4.628 4.340 0.012 0.000 0.227 261 L C 0.653 177.468 176.870 -0.091 0.000 1.127 261 L CA 0.469 55.140 54.840 -0.281 0.000 0.884 261 L CB 0.149 41.860 42.059 -0.580 0.000 1.065 261 L HN 0.272 nan 8.230 nan 0.000 0.457 262 D N 0.229 120.611 120.400 -0.030 0.000 2.997 262 D HA 0.059 4.706 4.640 0.012 0.000 0.362 262 D C 0.256 176.576 176.300 0.033 0.000 1.298 262 D CA -0.120 53.909 54.000 0.048 0.000 0.756 262 D CB 0.441 41.280 40.800 0.064 0.000 1.216 262 D HN 0.005 nan 8.370 nan 0.000 0.496 263 T N -0.578 113.994 114.554 0.031 0.000 2.913 263 T HA 0.569 4.926 4.350 0.012 0.000 0.297 263 T C -1.980 172.750 174.700 0.050 0.000 1.029 263 T CA -1.213 60.906 62.100 0.030 0.000 1.104 263 T CB 1.268 70.151 68.868 0.025 0.000 0.964 263 T HN 0.021 nan 8.240 nan 0.000 0.532 264 P HA 0.369 nan 4.420 nan 0.000 0.275 264 P C -0.916 176.418 177.300 0.056 0.000 1.228 264 P CA -0.643 62.483 63.100 0.043 0.000 0.786 264 P CB 0.556 32.273 31.700 0.030 0.000 0.927 265 A N 2.476 125.330 122.820 0.056 0.000 2.798 265 A HA 0.272 4.599 4.320 0.012 0.000 0.316 265 A C 0.511 178.125 177.584 0.049 0.000 1.506 265 A CA -0.395 51.680 52.037 0.063 0.000 1.162 265 A CB -0.674 18.362 19.000 0.061 0.000 1.138 265 A HN 0.592 nan 8.150 nan 0.000 0.532 266 D N 1.101 121.531 120.400 0.049 0.000 2.535 266 D HA 0.285 4.932 4.640 0.012 0.000 0.229 266 D C 0.870 177.194 176.300 0.040 0.000 1.238 266 D CA 0.510 54.532 54.000 0.038 0.000 0.824 266 D CB -0.036 40.782 40.800 0.031 0.000 1.045 266 D HN 0.972 nan 8.370 nan 0.000 0.500 267 G N 0.937 109.767 108.800 0.050 0.000 2.201 267 G HA2 -0.209 3.758 3.960 0.012 0.000 0.212 267 G HA3 -0.209 3.758 3.960 0.012 0.000 0.212 267 G C -0.062 174.876 174.900 0.063 0.000 0.994 267 G CA 0.137 45.267 45.100 0.050 0.000 0.644 267 G HN 0.694 nan 8.290 nan 0.000 0.508 268 Q N -0.862 118.983 119.800 0.074 0.000 2.379 268 Q HA 0.725 5.072 4.340 0.012 0.000 0.278 268 Q C -1.173 174.911 176.000 0.140 0.000 1.068 268 Q CA -1.356 54.501 55.803 0.091 0.000 0.816 268 Q CB 2.000 30.768 28.738 0.050 0.000 1.387 268 Q HN 0.529 nan 8.270 nan 0.000 0.413 269 F N 2.302 122.258 119.950 0.011 0.000 2.411 269 F HA 0.479 5.013 4.527 0.012 0.000 0.355 269 F C -0.783 175.014 175.800 -0.005 0.000 1.117 269 F CA -0.797 57.205 58.000 0.002 0.000 1.139 269 F CB 1.005 40.006 39.000 0.001 0.000 1.120 269 F HN 0.566 nan 8.300 nan 0.000 0.493 270 R N 7.395 127.501 120.500 -0.657 0.000 2.275 270 R HA 0.239 4.586 4.340 0.012 0.000 0.326 270 R C 1.080 176.804 176.300 -0.961 0.000 0.973 270 R CA -0.429 55.293 56.100 -0.631 0.000 0.854 270 R CB 1.378 31.532 30.300 -0.244 0.000 1.156 270 R HN 0.921 nan 8.270 nan 0.000 0.487 271 M N 2.186 121.097 119.600 -1.150 0.000 2.229 271 M HA -0.017 4.470 4.480 0.012 0.000 0.264 271 M C -0.625 175.271 176.300 -0.674 0.000 1.063 271 M CA 1.708 56.438 55.300 -0.951 0.000 1.114 271 M CB 0.440 32.484 32.600 -0.927 0.000 1.387 271 M HN 0.401 nan 8.290 nan 0.000 0.420 272 Y N -0.300 119.896 120.300 -0.173 0.000 2.446 272 Y HA 0.706 5.263 4.550 0.012 0.000 0.345 272 Y C -0.461 175.381 175.900 -0.096 0.000 0.984 272 Y CA -1.443 56.602 58.100 -0.092 0.000 1.058 272 Y CB 1.602 40.034 38.460 -0.046 0.000 1.220 272 Y HN 0.029 nan 8.280 nan 0.000 0.455 273 A N 1.436 124.309 122.820 0.087 0.000 2.513 273 A HA 0.686 5.013 4.320 0.012 0.000 0.296 273 A C 0.188 177.765 177.584 -0.011 0.000 1.052 273 A CA -0.225 51.821 52.037 0.015 0.000 0.714 273 A CB 0.679 19.665 19.000 -0.024 0.000 1.279 273 A HN 1.580 nan 8.150 nan 0.000 0.397 274 G N 1.230 110.018 108.800 -0.019 0.000 2.581 274 G HA2 0.441 4.408 3.960 0.012 0.000 0.291 274 G HA3 0.441 4.408 3.960 0.012 0.000 0.291 274 G C 1.548 176.414 174.900 -0.055 0.000 1.277 274 G CA 1.373 46.449 45.100 -0.039 0.000 0.959 274 G HN 3.230 nan 8.290 nan 0.000 0.554 275 G N -3.833 104.914 108.800 -0.088 0.000 2.663 275 G HA2 0.372 4.339 3.960 0.012 0.000 0.686 275 G HA3 0.372 4.339 3.960 0.012 0.000 0.686 275 G C -0.118 174.704 174.900 -0.130 0.000 1.288 275 G CA 0.382 45.403 45.100 -0.132 0.000 0.836 275 G HN 1.991 nan 8.290 nan 0.000 0.584 276 T N 1.667 116.086 114.554 -0.224 0.000 2.834 276 T HA 0.511 4.868 4.350 0.012 0.000 0.298 276 T C 1.286 175.942 174.700 -0.072 0.000 0.966 276 T CA 0.800 62.792 62.100 -0.180 0.000 1.141 276 T CB 0.660 69.310 68.868 -0.363 0.000 0.905 276 T HN 1.399 nan 8.240 nan 0.000 0.535 277 T N 1.823 116.339 114.554 -0.063 0.000 2.882 277 T HA 0.183 4.540 4.350 0.012 0.000 0.287 277 T C 1.323 175.934 174.700 -0.148 0.000 1.014 277 T CA -0.711 61.343 62.100 -0.078 0.000 1.049 277 T CB 0.916 69.735 68.868 -0.081 0.000 1.001 277 T HN 0.590 nan 8.240 nan 0.000 0.525 278 Q N 0.074 119.736 119.800 -0.231 0.000 2.170 278 Q HA -0.116 4.231 4.340 0.012 0.000 0.203 278 Q C 2.115 177.864 176.000 -0.418 0.000 0.976 278 Q CA 1.235 56.718 55.803 -0.534 0.000 0.858 278 Q CB 0.008 28.520 28.738 -0.376 0.000 0.907 278 Q HN 0.672 nan 8.270 nan 0.000 0.433 279 E N 0.973 121.050 120.200 -0.206 0.000 2.150 279 E HA -0.164 4.193 4.350 0.012 0.000 0.193 279 E C 1.651 178.176 176.600 -0.125 0.000 0.985 279 E CA 0.941 57.261 56.400 -0.133 0.000 0.814 279 E CB -0.024 29.625 29.700 -0.084 0.000 0.752 279 E HN 0.472 nan 8.360 nan 0.000 0.466 280 E N -0.089 120.040 120.200 -0.119 0.000 2.072 280 E HA -0.105 4.252 4.350 0.012 0.000 0.191 280 E C 2.008 178.566 176.600 -0.069 0.000 0.985 280 E CA 0.747 57.101 56.400 -0.076 0.000 0.801 280 E CB -0.017 29.656 29.700 -0.044 0.000 0.750 280 E HN 0.134 nan 8.360 nan 0.000 0.452 281 M N 0.758 120.294 119.600 -0.107 0.000 2.132 281 M HA -0.112 4.375 4.480 0.012 0.000 0.263 281 M C 1.966 178.231 176.300 -0.057 0.000 1.065 281 M CA 1.504 56.773 55.300 -0.053 0.000 1.122 281 M CB -0.590 31.904 32.600 -0.176 0.000 1.365 281 M HN -0.031 nan 8.290 nan 0.000 0.411 282 K N -0.172 120.162 120.400 -0.111 0.000 2.057 282 K HA -0.193 4.134 4.320 0.012 0.000 0.207 282 K C 1.528 178.079 176.600 -0.083 0.000 1.049 282 K CA 1.550 57.828 56.287 -0.016 0.000 0.931 282 K CB -0.203 32.299 32.500 0.002 0.000 0.714 282 K HN 0.201 nan 8.250 nan 0.000 0.440 283 D N 0.124 120.460 120.400 -0.108 0.000 2.347 283 D HA 0.045 4.692 4.640 0.012 0.000 0.213 283 D C 1.548 177.728 176.300 -0.199 0.000 0.985 283 D CA 0.518 54.441 54.000 -0.127 0.000 0.879 283 D CB 0.156 40.901 40.800 -0.091 0.000 0.919 283 D HN 0.174 nan 8.370 nan 0.000 0.526 284 A N 1.241 123.905 122.820 -0.260 0.000 1.940 284 A HA -0.179 4.148 4.320 0.012 0.000 0.221 284 A C -0.164 177.035 177.584 -0.641 0.000 1.190 284 A CA 1.507 53.303 52.037 -0.401 0.000 0.647 284 A CB -1.660 17.042 19.000 -0.496 0.000 0.821 284 A HN 0.279 nan 8.150 nan 0.000 0.457 285 P HA -0.095 nan 4.420 nan 0.000 0.219 285 P C 0.699 177.869 177.300 -0.216 0.000 1.146 285 P CA 1.048 63.645 63.100 -0.837 0.000 0.808 285 P CB -0.140 31.114 31.700 -0.744 0.000 0.779 286 N N -0.674 117.931 118.700 -0.159 0.000 2.521 286 N HA 0.046 4.793 4.740 0.012 0.000 0.188 286 N C 0.700 176.202 175.510 -0.013 0.000 1.146 286 N CA 0.181 53.199 53.050 -0.053 0.000 0.893 286 N CB -0.353 38.093 38.487 -0.068 0.000 0.975 286 N HN 0.095 nan 8.380 nan 0.000 0.451 287 A N 0.245 123.077 122.820 0.020 0.000 2.366 287 A HA 0.228 4.554 4.320 0.012 0.000 0.249 287 A C 1.518 179.014 177.584 -0.147 0.000 1.084 287 A CA -0.367 51.664 52.037 -0.010 0.000 0.794 287 A CB 0.374 19.419 19.000 0.074 0.000 1.034 287 A HN 0.163 nan 8.150 nan 0.000 0.491 288 L N 0.445 121.569 121.223 -0.165 0.000 2.046 288 L HA -0.069 4.278 4.340 0.012 0.000 0.208 288 L C 1.107 177.727 176.870 -0.417 0.000 1.077 288 L CA 1.383 56.098 54.840 -0.208 0.000 0.747 288 L CB -0.242 41.745 42.059 -0.120 0.000 0.896 288 L HN 0.842 nan 8.230 nan 0.000 0.432 289 N N -2.495 115.932 118.700 -0.455 0.000 3.227 289 N HA 0.220 4.967 4.740 0.012 0.000 0.241 289 N C -1.470 173.978 175.510 -0.102 0.000 1.480 289 N CA -0.387 52.377 53.050 -0.477 0.000 0.886 289 N CB 1.760 40.134 38.487 -0.189 0.000 1.406 289 N HN -0.332 nan 8.380 nan 0.000 0.514 290 T N 0.373 115.031 114.554 0.174 0.000 2.812 290 T HA 0.508 4.865 4.350 0.012 0.000 0.282 290 T C -0.790 174.006 174.700 0.161 0.000 0.990 290 T CA -0.360 61.920 62.100 0.299 0.000 0.960 290 T CB 1.366 70.558 68.868 0.539 0.000 0.948 290 T HN 0.179 nan 8.240 nan 0.000 0.438 291 V N 4.998 124.991 119.914 0.132 0.000 2.370 291 V HA 0.423 4.550 4.120 0.012 0.000 0.283 291 V C -0.186 175.949 176.094 0.068 0.000 1.023 291 V CA -0.805 61.549 62.300 0.090 0.000 0.857 291 V CB 1.269 33.159 31.823 0.111 0.000 0.985 291 V HN 0.722 nan 8.190 nan 0.000 0.443 292 L N 5.915 127.142 121.223 0.005 0.000 2.260 292 L HA 0.368 4.715 4.340 0.012 0.000 0.289 292 L C 1.173 177.981 176.870 -0.102 0.000 1.057 292 L CA -0.314 54.478 54.840 -0.079 0.000 0.811 292 L CB 1.131 43.114 42.059 -0.126 0.000 1.184 292 L HN 0.609 nan 8.230 nan 0.000 0.429 293 L N 2.411 123.545 121.223 -0.149 0.000 2.141 293 L HA -0.090 4.257 4.340 0.012 0.000 0.209 293 L C 0.704 177.467 176.870 -0.180 0.000 1.094 293 L CA 1.284 56.020 54.840 -0.173 0.000 0.763 293 L CB -0.141 41.779 42.059 -0.232 0.000 0.908 293 L HN 0.711 nan 8.230 nan 0.000 0.437 294 Q N -0.101 119.546 119.800 -0.255 0.000 2.798 294 Q HA 0.184 4.531 4.340 0.012 0.000 0.250 294 Q C -1.804 174.014 176.000 -0.304 0.000 1.006 294 Q CA -1.526 54.138 55.803 -0.232 0.000 0.759 294 Q CB 1.444 30.011 28.738 -0.285 0.000 1.201 294 Q HN 0.046 nan 8.270 nan 0.000 0.486 295 P HA -0.176 nan 4.420 nan 0.000 0.217 295 P C 0.526 177.644 177.300 -0.303 0.000 1.150 295 P CA 1.134 64.053 63.100 -0.302 0.000 0.832 295 P CB 0.108 31.587 31.700 -0.368 0.000 0.787 296 W N 0.958 122.235 121.300 -0.038 0.000 2.359 296 W HA -0.142 4.525 4.660 0.012 0.000 0.275 296 W C 2.283 178.825 176.519 0.038 0.000 1.217 296 W CA 1.386 58.758 57.345 0.045 0.000 1.196 296 W CB -1.024 28.528 29.460 0.153 0.000 1.129 296 W HN 0.322 nan 8.180 nan 0.000 0.566 297 H N -2.567 116.570 119.070 0.112 0.000 2.662 297 H HA 0.357 4.920 4.556 0.012 0.000 0.268 297 H C 0.498 175.847 175.328 0.036 0.000 1.152 297 H CA -0.055 56.024 56.048 0.052 0.000 1.072 297 H CB -0.514 29.244 29.762 -0.005 0.000 1.660 297 H HN 0.195 nan 8.280 nan 0.000 0.584 298 L N 1.253 122.401 121.223 -0.125 0.000 3.209 298 L HA 0.230 4.577 4.340 0.012 0.000 0.279 298 L C 1.167 178.009 176.870 -0.047 0.000 1.301 298 L CA -0.058 54.729 54.840 -0.089 0.000 1.004 298 L CB 0.704 42.628 42.059 -0.224 0.000 1.402 298 L HN 0.135 nan 8.230 nan 0.000 0.577 299 E N 0.701 120.893 120.200 -0.014 0.000 2.072 299 E HA -0.232 4.125 4.350 0.012 0.000 0.191 299 E C 1.801 178.410 176.600 0.015 0.000 0.985 299 E CA 1.031 57.420 56.400 -0.019 0.000 0.801 299 E CB 0.278 29.980 29.700 0.003 0.000 0.750 299 E HN 0.356 nan 8.360 nan 0.000 0.452 300 K N 0.527 120.958 120.400 0.053 0.000 2.097 300 K HA -0.095 4.232 4.320 0.012 0.000 0.205 300 K C 2.082 178.733 176.600 0.085 0.000 1.050 300 K CA 1.435 57.760 56.287 0.063 0.000 0.938 300 K CB 0.067 32.610 32.500 0.070 0.000 0.718 300 K HN -0.035 nan 8.250 nan 0.000 0.442 301 T N 1.034 115.656 114.554 0.114 0.000 2.821 301 T HA -0.116 4.241 4.350 0.012 0.000 0.267 301 T C 1.662 176.414 174.700 0.086 0.000 1.046 301 T CA 1.279 63.481 62.100 0.169 0.000 1.139 301 T CB -0.047 68.958 68.868 0.228 0.000 0.871 301 T HN 0.303 nan 8.240 nan 0.000 0.454 302 K N 1.067 121.480 120.400 0.022 0.000 2.057 302 K HA -0.099 4.228 4.320 0.012 0.000 0.207 302 K C 2.197 178.774 176.600 -0.038 0.000 1.049 302 K CA 1.259 57.531 56.287 -0.026 0.000 0.931 302 K CB -0.010 32.456 32.500 -0.057 0.000 0.714 302 K HN 0.212 nan 8.250 nan 0.000 0.440 303 K N -0.292 120.102 120.400 -0.010 0.000 2.097 303 K HA -0.157 4.170 4.320 0.012 0.000 0.206 303 K C 2.012 178.591 176.600 -0.034 0.000 1.049 303 K CA 1.458 57.736 56.287 -0.015 0.000 0.933 303 K CB -0.250 32.258 32.500 0.013 0.000 0.717 303 K HN 0.136 nan 8.250 nan 0.000 0.442 304 F N 1.389 121.248 119.950 -0.151 0.000 2.146 304 F HA -0.176 4.358 4.527 0.012 0.000 0.298 304 F C 1.860 177.421 175.800 -0.398 0.000 1.096 304 F CA 1.025 58.883 58.000 -0.237 0.000 1.275 304 F CB -0.279 38.565 39.000 -0.261 0.000 1.008 304 F HN -0.292 nan 8.300 nan 0.000 0.480 305 V N 0.620 120.187 119.914 -0.579 0.000 2.358 305 V HA -0.254 3.873 4.120 0.012 0.000 0.246 305 V C 2.298 178.165 176.094 -0.378 0.000 1.047 305 V CA 2.256 64.107 62.300 -0.747 0.000 1.035 305 V CB -0.667 30.923 31.823 -0.388 0.000 0.658 305 V HN 0.341 nan 8.190 nan 0.000 0.452 306 E N 0.236 120.311 120.200 -0.208 0.000 2.072 306 E HA -0.117 4.240 4.350 0.012 0.000 0.191 306 E C 2.302 178.823 176.600 -0.133 0.000 0.985 306 E CA 1.265 57.602 56.400 -0.105 0.000 0.801 306 E CB -0.411 29.253 29.700 -0.059 0.000 0.750 306 E HN 0.638 nan 8.360 nan 0.000 0.452 307 G N 0.641 109.330 108.800 -0.185 0.000 2.404 307 G HA2 -0.199 3.768 3.960 0.012 0.000 0.214 307 G HA3 -0.199 3.768 3.960 0.012 0.000 0.214 307 G C 1.645 176.424 174.900 -0.202 0.000 1.189 307 G CA 1.198 46.204 45.100 -0.156 0.000 0.789 307 G HN 0.163 nan 8.290 nan 0.000 0.533 308 T N 0.010 114.316 114.554 -0.413 0.000 2.770 308 T HA -0.069 4.288 4.350 0.012 0.000 0.258 308 T C 2.011 176.616 174.700 -0.157 0.000 1.039 308 T CA 1.012 62.877 62.100 -0.393 0.000 1.143 308 T CB -0.176 68.177 68.868 -0.859 0.000 0.866 308 T HN 0.389 nan 8.240 nan 0.000 0.428 309 W N 1.374 122.377 121.300 -0.495 0.000 2.658 309 W HA 0.294 4.961 4.660 0.012 0.000 0.263 309 W C 0.635 176.987 176.519 -0.277 0.000 1.274 309 W CA -0.187 56.907 57.345 -0.420 0.000 1.343 309 W CB -0.362 28.709 29.460 -0.647 0.000 1.106 309 W HN 0.136 nan 8.180 nan 0.000 0.615 310 K N -0.374 120.031 120.400 0.009 0.000 3.192 310 K HA -0.242 4.085 4.320 0.012 0.000 0.278 310 K C -0.492 176.222 176.600 0.190 0.000 1.164 310 K CA 0.736 57.061 56.287 0.062 0.000 0.816 310 K CB -2.655 29.884 32.500 0.065 0.000 1.256 310 K HN 0.434 nan 8.250 nan 0.000 0.497 311 H N 0.701 119.826 119.070 0.090 0.000 2.548 311 H HA 0.194 4.757 4.556 0.012 0.000 0.331 311 H C 0.202 175.553 175.328 0.037 0.000 1.093 311 H CA -0.536 55.564 56.048 0.085 0.000 1.367 311 H CB 0.854 30.709 29.762 0.155 0.000 1.455 311 H HN 0.059 nan 8.280 nan 0.000 0.519 312 E N 3.131 123.405 120.200 0.124 0.000 1.856 312 E HA 0.087 4.444 4.350 0.012 0.000 0.263 312 E C -0.497 176.128 176.600 0.040 0.000 1.137 312 E CA -0.448 55.984 56.400 0.053 0.000 1.007 312 E CB 0.514 30.224 29.700 0.018 0.000 1.117 312 E HN 0.279 nan 8.360 nan 0.000 0.438 313 V N 5.014 124.962 119.914 0.057 0.000 2.493 313 V HA -0.005 4.122 4.120 0.012 0.000 0.292 313 V C -1.826 174.260 176.094 -0.013 0.000 1.016 313 V CA -1.059 61.263 62.300 0.037 0.000 1.097 313 V CB -0.120 31.721 31.823 0.031 0.000 0.947 313 V HN 0.495 nan 8.190 nan 0.000 0.479 314 P HA 0.169 nan 4.420 nan 0.000 0.271 314 P C -0.480 176.777 177.300 -0.071 0.000 1.218 314 P CA -0.512 62.557 63.100 -0.051 0.000 0.780 314 P CB 0.466 32.129 31.700 -0.061 0.000 0.901 315 K N 3.376 123.726 120.400 -0.083 0.000 2.183 315 K HA 0.289 4.616 4.320 0.012 0.000 0.272 315 K C -0.984 175.537 176.600 -0.132 0.000 1.113 315 K CA -0.137 56.081 56.287 -0.116 0.000 0.949 315 K CB -0.690 31.749 32.500 -0.103 0.000 1.365 315 K HN 0.446 nan 8.250 nan 0.000 0.420 316 L N 3.296 124.433 121.223 -0.143 0.000 2.362 316 L HA 0.381 4.728 4.340 0.012 0.000 0.271 316 L C -0.274 176.457 176.870 -0.231 0.000 1.002 316 L CA -1.135 53.613 54.840 -0.154 0.000 0.818 316 L CB 2.135 44.170 42.059 -0.041 0.000 1.298 316 L HN 0.577 nan 8.230 nan 0.000 0.420 317 N N 1.227 119.688 118.700 -0.398 0.000 2.445 317 N HA 0.373 5.120 4.740 0.012 0.000 0.264 317 N C -0.251 175.120 175.510 -0.232 0.000 1.227 317 N CA -0.635 52.087 53.050 -0.545 0.000 0.963 317 N CB 1.244 38.759 38.487 -1.620 0.000 1.188 317 N HN 0.481 nan 8.380 nan 0.000 0.491 318 I N 2.191 122.726 120.570 -0.059 0.000 2.752 318 I HA 0.038 4.215 4.170 0.012 0.000 0.289 318 I C -1.896 174.281 176.117 0.100 0.000 1.197 318 I CA -1.370 59.947 61.300 0.028 0.000 1.432 318 I CB 0.716 38.793 38.000 0.128 0.000 1.359 318 I HN 0.442 nan 8.210 nan 0.000 0.571 319 P HA 0.153 nan 4.420 nan 0.000 0.244 319 P C -1.074 176.156 177.300 -0.118 0.000 1.769 319 P CA 0.229 63.276 63.100 -0.089 0.000 1.102 319 P CB 0.013 31.437 31.700 -0.460 0.000 1.937 320 M N 1.539 121.147 119.600 0.013 0.000 2.464 320 M HA 0.594 5.081 4.480 0.012 0.000 0.308 320 M C 0.597 176.726 176.300 -0.285 0.000 1.127 320 M CA -0.001 55.197 55.300 -0.171 0.000 0.913 320 M CB 2.651 35.170 32.600 -0.135 0.000 1.689 320 M HN 0.413 nan 8.290 nan 0.000 0.445 321 G N 1.019 109.483 108.800 -0.559 0.000 2.782 321 G HA2 -0.221 3.746 3.960 0.012 0.000 0.228 321 G HA3 -0.221 3.746 3.960 0.012 0.000 0.228 321 G C -0.208 174.527 174.900 -0.275 0.000 1.372 321 G CA -0.180 44.518 45.100 -0.670 0.000 0.862 321 G HN 0.735 nan 8.290 nan 0.000 0.547 322 L N -0.348 120.827 121.223 -0.080 0.000 2.027 322 L HA 0.137 4.484 4.340 0.012 0.000 0.206 322 L C 2.426 179.362 176.870 0.110 0.000 1.074 322 L CA 3.019 57.916 54.840 0.097 0.000 0.745 322 L CB -0.659 41.472 42.059 0.120 0.000 0.898 322 L HN 0.635 nan 8.230 nan 0.000 0.433 323 D N -1.271 119.148 120.400 0.033 0.000 2.097 323 D HA -0.194 4.453 4.640 0.012 0.000 0.197 323 D C 1.987 178.467 176.300 0.300 0.000 0.984 323 D CA 1.243 55.317 54.000 0.124 0.000 0.826 323 D CB -0.328 40.520 40.800 0.080 0.000 0.973 323 D HN 0.385 nan 8.370 nan 0.000 0.460 324 W N 1.246 122.554 121.300 0.012 0.000 2.402 324 W HA -0.003 4.664 4.660 0.012 0.000 0.286 324 W C 2.331 178.842 176.519 -0.014 0.000 1.221 324 W CA 0.602 57.949 57.345 0.002 0.000 1.257 324 W CB -1.436 28.013 29.460 -0.018 0.000 1.120 324 W HN -0.039 nan 8.180 nan 0.000 0.551 325 T N 0.128 114.748 114.554 0.110 0.000 2.777 325 T HA -0.158 4.199 4.350 0.012 0.000 0.266 325 T C 1.239 175.963 174.700 0.039 0.000 1.040 325 T CA 1.784 63.824 62.100 -0.100 0.000 1.141 325 T CB -0.318 68.228 68.868 -0.536 0.000 0.868 325 T HN -0.063 nan 8.240 nan 0.000 0.444 326 D N 0.858 121.346 120.400 0.146 0.000 2.097 326 D HA -0.091 4.556 4.640 0.012 0.000 0.195 326 D C 2.134 178.521 176.300 0.145 0.000 0.989 326 D CA 1.012 55.128 54.000 0.193 0.000 0.827 326 D CB -0.282 40.635 40.800 0.196 0.000 0.966 326 D HN 0.519 nan 8.370 nan 0.000 0.456 327 E N -0.672 119.625 120.200 0.162 0.000 2.072 327 E HA -0.176 4.181 4.350 0.012 0.000 0.191 327 E C 2.038 178.692 176.600 0.091 0.000 0.985 327 E CA 0.533 57.004 56.400 0.118 0.000 0.801 327 E CB -0.191 29.597 29.700 0.148 0.000 0.750 327 E HN 0.251 nan 8.360 nan 0.000 0.452 328 F N 1.113 121.055 119.950 -0.012 0.000 2.146 328 F HA -0.116 4.418 4.527 0.012 0.000 0.298 328 F C 1.858 177.631 175.800 -0.044 0.000 1.096 328 F CA 1.177 59.148 58.000 -0.048 0.000 1.275 328 F CB -0.080 38.875 39.000 -0.075 0.000 1.008 328 F HN -0.008 nan 8.300 nan 0.000 0.480 329 L N -0.361 120.889 121.223 0.045 0.000 2.046 329 L HA -0.245 4.102 4.340 0.012 0.000 0.208 329 L C 2.524 179.341 176.870 -0.090 0.000 1.077 329 L CA 1.520 56.339 54.840 -0.034 0.000 0.747 329 L CB -0.599 41.516 42.059 0.093 0.000 0.896 329 L HN 0.247 nan 8.230 nan 0.000 0.432 330 M N -0.579 118.995 119.600 -0.042 0.000 2.132 330 M HA -0.203 4.284 4.480 0.012 0.000 0.263 330 M C 2.329 178.572 176.300 -0.095 0.000 1.065 330 M CA 1.509 56.783 55.300 -0.043 0.000 1.122 330 M CB -0.234 32.363 32.600 -0.005 0.000 1.365 330 M HN -0.002 nan 8.290 nan 0.000 0.411 331 K N 0.588 120.904 120.400 -0.140 0.000 2.057 331 K HA -0.078 4.249 4.320 0.012 0.000 0.207 331 K C 1.524 177.991 176.600 -0.222 0.000 1.049 331 K CA 1.389 57.575 56.287 -0.168 0.000 0.931 331 K CB -0.570 31.821 32.500 -0.183 0.000 0.714 331 K HN 0.134 nan 8.250 nan 0.000 0.440 332 V N 0.478 120.181 119.914 -0.352 0.000 2.515 332 V HA -0.192 3.935 4.120 0.012 0.000 0.250 332 V C 2.388 178.376 176.094 -0.176 0.000 1.058 332 V CA 1.953 64.054 62.300 -0.331 0.000 1.064 332 V CB -0.502 31.033 31.823 -0.479 0.000 0.675 332 V HN 0.506 nan 8.190 nan 0.000 0.461 333 S N -0.582 115.034 115.700 -0.141 0.000 2.368 333 S HA -0.244 4.233 4.470 0.012 0.000 0.224 333 S C 2.088 176.648 174.600 -0.066 0.000 1.029 333 S CA 1.923 60.076 58.200 -0.078 0.000 0.988 333 S CB -0.211 62.958 63.200 -0.053 0.000 0.838 333 S HN 0.729 nan 8.310 nan 0.000 0.462 334 E N 0.213 120.369 120.200 -0.073 0.000 2.077 334 E HA -0.113 4.244 4.350 0.012 0.000 0.193 334 E C 2.024 178.587 176.600 -0.061 0.000 0.989 334 E CA 1.411 57.776 56.400 -0.059 0.000 0.800 334 E CB -0.228 29.437 29.700 -0.058 0.000 0.746 334 E HN 0.650 nan 8.360 nan 0.000 0.452 335 I N 0.958 121.480 120.570 -0.079 0.000 2.252 335 I HA -0.233 3.944 4.170 0.012 0.000 0.245 335 I C 2.608 178.687 176.117 -0.062 0.000 1.102 335 I CA 1.424 62.678 61.300 -0.077 0.000 1.385 335 I CB -0.242 37.700 38.000 -0.096 0.000 1.064 335 I HN 0.177 nan 8.210 nan 0.000 0.414 336 S N -0.103 115.562 115.700 -0.058 0.000 2.501 336 S HA 0.173 4.650 4.470 0.012 0.000 0.220 336 S C 1.773 176.355 174.600 -0.029 0.000 0.997 336 S CA 0.488 58.665 58.200 -0.038 0.000 0.919 336 S CB 0.485 63.668 63.200 -0.029 0.000 0.778 336 S HN 0.605 nan 8.310 nan 0.000 0.523 337 G N 0.530 109.311 108.800 -0.032 0.000 2.199 337 G HA2 -0.222 3.745 3.960 0.012 0.000 0.254 337 G HA3 -0.222 3.745 3.960 0.012 0.000 0.254 337 G C -0.053 174.837 174.900 -0.017 0.000 0.982 337 G CA 0.111 45.197 45.100 -0.023 0.000 0.632 337 G HN 0.524 nan 8.290 nan 0.000 0.529 338 Q N 1.447 121.238 119.800 -0.016 0.000 2.314 338 Q HA 0.400 4.747 4.340 0.012 0.000 0.258 338 Q C -1.887 174.108 176.000 -0.008 0.000 0.954 338 Q CA -1.411 54.388 55.803 -0.007 0.000 0.890 338 Q CB 1.459 30.197 28.738 -0.000 0.000 1.210 338 Q HN 0.427 nan 8.270 nan 0.000 0.410 339 P HA 0.227 nan 4.420 nan 0.000 0.276 339 P C -0.243 177.062 177.300 0.008 0.000 1.252 339 P CA -0.371 62.730 63.100 0.001 0.000 0.802 339 P CB 0.921 32.623 31.700 0.003 0.000 1.035 340 I N 2.954 123.532 120.570 0.013 0.000 2.396 340 I HA 0.149 4.326 4.170 0.012 0.000 0.289 340 I C -1.349 174.785 176.117 0.028 0.000 1.056 340 I CA -1.907 59.409 61.300 0.027 0.000 1.365 340 I CB 0.585 38.609 38.000 0.039 0.000 1.407 340 I HN 0.253 nan 8.210 nan 0.000 0.509 341 P HA 0.094 nan 4.420 nan 0.000 0.272 341 P C 0.329 177.644 177.300 0.025 0.000 1.230 341 P CA -0.360 62.756 63.100 0.027 0.000 0.788 341 P CB 1.100 32.819 31.700 0.031 0.000 0.949 342 A N 1.795 124.625 122.820 0.016 0.000 2.019 342 A HA -0.167 4.160 4.320 0.012 0.000 0.219 342 A C 2.273 179.862 177.584 0.008 0.000 1.164 342 A CA 2.087 54.129 52.037 0.009 0.000 0.644 342 A CB -1.516 17.487 19.000 0.005 0.000 0.805 342 A HN 0.697 nan 8.150 nan 0.000 0.449 343 S N 0.069 115.779 115.700 0.017 0.000 2.355 343 S HA -0.080 4.397 4.470 0.012 0.000 0.222 343 S C 1.881 176.497 174.600 0.026 0.000 1.031 343 S CA 1.391 59.602 58.200 0.018 0.000 0.993 343 S CB -0.719 62.496 63.200 0.025 0.000 0.859 343 S HN 0.445 nan 8.310 nan 0.000 0.453 344 L N 1.187 122.440 121.223 0.050 0.000 2.093 344 L HA -0.061 4.286 4.340 0.012 0.000 0.208 344 L C 2.960 179.850 176.870 0.032 0.000 1.085 344 L CA 1.493 56.389 54.840 0.094 0.000 0.755 344 L CB -1.160 40.988 42.059 0.148 0.000 0.904 344 L HN 0.381 nan 8.230 nan 0.000 0.435 345 T N -0.589 113.970 114.554 0.008 0.000 2.746 345 T HA -0.242 4.115 4.350 0.012 0.000 0.267 345 T C 1.913 176.561 174.700 -0.086 0.000 1.039 345 T CA 1.488 63.566 62.100 -0.037 0.000 1.142 345 T CB -0.074 68.785 68.868 -0.014 0.000 0.866 345 T HN 0.247 nan 8.240 nan 0.000 0.444 346 K N 1.000 121.365 120.400 -0.059 0.000 2.097 346 K HA -0.102 4.225 4.320 0.012 0.000 0.205 346 K C 2.322 178.860 176.600 -0.103 0.000 1.050 346 K CA 1.381 57.629 56.287 -0.066 0.000 0.938 346 K CB -0.050 32.429 32.500 -0.035 0.000 0.718 346 K HN 0.381 nan 8.250 nan 0.000 0.442 347 E N 0.608 120.744 120.200 -0.107 0.000 2.077 347 E HA -0.243 4.114 4.350 0.012 0.000 0.193 347 E C 2.154 178.545 176.600 -0.348 0.000 0.989 347 E CA 1.065 57.386 56.400 -0.131 0.000 0.800 347 E CB 0.009 29.697 29.700 -0.020 0.000 0.746 347 E HN 0.239 nan 8.360 nan 0.000 0.452 348 R N -0.321 119.821 120.500 -0.596 0.000 2.081 348 R HA -0.104 4.243 4.340 0.012 0.000 0.235 348 R C 2.365 178.429 176.300 -0.393 0.000 1.131 348 R CA 1.574 57.133 56.100 -0.901 0.000 0.960 348 R CB -0.559 29.287 30.300 -0.757 0.000 0.856 348 R HN 0.265 nan 8.270 nan 0.000 0.436 349 G N 0.245 108.902 108.800 -0.238 0.000 2.448 349 G HA2 -0.239 3.728 3.960 0.012 0.000 0.219 349 G HA3 -0.239 3.728 3.960 0.012 0.000 0.219 349 G C 1.389 176.227 174.900 -0.103 0.000 1.127 349 G CA 0.421 45.440 45.100 -0.135 0.000 0.766 349 G HN 0.326 nan 8.290 nan 0.000 0.552 350 R N -0.857 119.576 120.500 -0.111 0.000 2.093 350 R HA 0.105 4.452 4.340 0.012 0.000 0.224 350 R C 2.378 178.647 176.300 -0.052 0.000 1.101 350 R CA 0.754 56.814 56.100 -0.067 0.000 0.979 350 R CB -0.371 29.896 30.300 -0.054 0.000 0.877 350 R HN 0.369 nan 8.270 nan 0.000 0.441 351 L N 0.687 121.862 121.223 -0.080 0.000 2.056 351 L HA -0.096 4.251 4.340 0.012 0.000 0.207 351 L C 1.957 178.825 176.870 -0.003 0.000 1.078 351 L CA 1.566 56.392 54.840 -0.024 0.000 0.749 351 L CB -0.356 41.687 42.059 -0.026 0.000 0.901 351 L HN -0.119 nan 8.230 nan 0.000 0.433 352 V N 0.137 120.026 119.914 -0.042 0.000 2.343 352 V HA -0.325 3.802 4.120 0.012 0.000 0.247 352 V C 2.353 178.438 176.094 -0.015 0.000 1.051 352 V CA 2.079 64.364 62.300 -0.024 0.000 1.036 352 V CB -0.800 30.994 31.823 -0.048 0.000 0.654 352 V HN 0.593 nan 8.190 nan 0.000 0.451 353 D N -0.646 119.742 120.400 -0.020 0.000 2.117 353 D HA -0.200 4.447 4.640 0.012 0.000 0.197 353 D C 2.197 178.505 176.300 0.013 0.000 0.987 353 D CA 1.531 55.526 54.000 -0.008 0.000 0.829 353 D CB -0.103 40.689 40.800 -0.014 0.000 0.961 353 D HN 0.365 nan 8.370 nan 0.000 0.460 354 M N -0.697 118.914 119.600 0.018 0.000 2.132 354 M HA -0.114 4.373 4.480 0.012 0.000 0.263 354 M C 2.260 178.590 176.300 0.050 0.000 1.065 354 M CA 1.168 56.489 55.300 0.036 0.000 1.122 354 M CB -0.186 32.438 32.600 0.039 0.000 1.365 354 M HN 0.164 nan 8.290 nan 0.000 0.411 355 M N -0.345 119.283 119.600 0.046 0.000 2.132 355 M HA -0.147 4.340 4.480 0.012 0.000 0.263 355 M C 2.346 178.677 176.300 0.052 0.000 1.065 355 M CA 2.086 57.409 55.300 0.039 0.000 1.122 355 M CB -0.721 31.894 32.600 0.026 0.000 1.365 355 M HN 0.425 nan 8.290 nan 0.000 0.411 356 T N -2.322 112.249 114.554 0.029 0.000 2.867 356 T HA -0.118 4.239 4.350 0.012 0.000 0.268 356 T C 1.276 176.079 174.700 0.173 0.000 1.057 356 T CA 1.408 63.527 62.100 0.031 0.000 1.136 356 T CB -0.468 68.386 68.868 -0.023 0.000 0.874 356 T HN 0.223 nan 8.240 nan 0.000 0.466 357 D N 1.608 122.076 120.400 0.113 0.000 2.144 357 D HA 0.025 4.672 4.640 0.012 0.000 0.200 357 D C 1.898 178.273 176.300 0.125 0.000 0.978 357 D CA 1.053 55.119 54.000 0.110 0.000 0.833 357 D CB -0.230 40.612 40.800 0.070 0.000 0.961 357 D HN 0.442 nan 8.370 nan 0.000 0.470 358 S N -0.269 115.509 115.700 0.130 0.000 2.557 358 S HA -0.032 4.445 4.470 0.012 0.000 0.223 358 S C 1.542 176.214 174.600 0.119 0.000 0.969 358 S CA -0.453 57.830 58.200 0.138 0.000 0.927 358 S CB -0.033 63.230 63.200 0.105 0.000 0.806 358 S HN 0.460 nan 8.310 nan 0.000 0.489 359 H N 1.944 121.026 119.070 0.020 0.000 2.421 359 H HA -0.089 4.474 4.556 0.012 0.000 0.298 359 H C 1.916 177.243 175.328 -0.001 0.000 1.087 359 H CA 1.879 57.928 56.048 0.002 0.000 1.330 359 H CB -1.026 28.721 29.762 -0.026 0.000 1.388 359 H HN 0.461 nan 8.280 nan 0.000 0.526 360 T N -2.408 111.720 114.554 -0.710 0.000 2.867 360 T HA -0.154 4.203 4.350 0.012 0.000 0.268 360 T C 1.921 176.406 174.700 -0.358 0.000 1.057 360 T CA 1.042 62.761 62.100 -0.634 0.000 1.136 360 T CB -0.806 67.581 68.868 -0.801 0.000 0.874 360 T HN 0.534 nan 8.240 nan 0.000 0.466 361 W N 0.816 122.060 121.300 -0.093 0.000 2.476 361 W HA 0.396 5.063 4.660 0.011 0.000 0.281 361 W C 2.140 178.665 176.519 0.010 0.000 1.230 361 W CA -0.431 56.895 57.345 -0.031 0.000 1.287 361 W CB -0.103 29.335 29.460 -0.036 0.000 1.108 361 W HN 0.170 nan 8.180 nan 0.000 0.567 362 L N -0.677 120.683 121.223 0.229 0.000 2.341 362 L HA -0.038 4.309 4.340 0.012 0.000 0.214 362 L C 1.379 178.323 176.870 0.123 0.000 1.115 362 L CA 0.308 55.239 54.840 0.152 0.000 0.820 362 L CB -0.789 41.305 42.059 0.059 0.000 0.944 362 L HN -0.013 nan 8.230 nan 0.000 0.452 363 H N 0.907 119.999 119.070 0.036 0.000 3.070 363 H HA 0.004 4.567 4.556 0.011 0.000 0.313 363 H C 1.096 176.469 175.328 0.075 0.000 0.997 363 H CA 1.167 57.234 56.048 0.032 0.000 1.438 363 H CB 0.763 30.540 29.762 0.025 0.000 1.455 363 H HN 0.349 nan 8.280 nan 0.000 0.575 364 G N 4.815 113.368 108.800 -0.412 0.000 2.184 364 G HA2 -0.254 3.713 3.960 0.012 0.000 0.264 364 G HA3 -0.254 3.713 3.960 0.012 0.000 0.264 364 G C 0.282 175.161 174.900 -0.035 0.000 0.975 364 G CA 0.193 45.189 45.100 -0.174 0.000 0.642 364 G HN 0.527 nan 8.290 nan 0.000 0.536 365 K N 0.635 121.034 120.400 -0.003 0.000 2.382 365 K HA 0.374 4.701 4.320 0.012 0.000 0.275 365 K C 0.843 177.360 176.600 -0.139 0.000 1.009 365 K CA -0.103 56.145 56.287 -0.065 0.000 0.970 365 K CB 0.593 33.065 32.500 -0.046 0.000 0.934 365 K HN 0.427 nan 8.250 nan 0.000 0.479 366 R N 2.057 122.393 120.500 -0.273 0.000 2.312 366 R HA 0.425 4.772 4.340 0.012 0.000 0.311 366 R C -0.568 175.525 176.300 -0.345 0.000 1.004 366 R CA -0.304 55.681 56.100 -0.193 0.000 0.902 366 R CB 0.620 30.856 30.300 -0.107 0.000 1.073 366 R HN 0.355 nan 8.270 nan 0.000 0.457 367 F N 0.512 120.516 119.950 0.091 0.000 2.588 367 F HA 0.634 5.169 4.527 0.014 0.000 0.314 367 F C -0.100 175.801 175.800 0.168 0.000 1.069 367 F CA -1.043 57.043 58.000 0.145 0.000 0.931 367 F CB 2.098 41.168 39.000 0.117 0.000 1.260 367 F HN 0.448 nan 8.300 nan 0.000 0.465 368 A N 2.865 125.963 122.820 0.464 0.000 2.331 368 A HA 0.924 5.251 4.320 0.012 0.000 0.320 368 A C -1.441 176.436 177.584 0.488 0.000 1.138 368 A CA -0.575 51.750 52.037 0.479 0.000 0.790 368 A CB 0.952 20.241 19.000 0.482 0.000 1.206 368 A HN 0.821 nan 8.150 nan 0.000 0.470 369 L N -0.716 120.797 121.223 0.484 0.000 2.465 369 L HA 1.044 5.391 4.340 0.012 0.000 0.257 369 L C -0.965 176.266 176.870 0.602 0.000 0.988 369 L CA -0.681 54.419 54.840 0.433 0.000 0.827 369 L CB 1.188 43.379 42.059 0.220 0.000 1.397 369 L HN 0.935 nan 8.230 nan 0.000 0.410 370 W N 0.678 122.147 121.300 0.280 0.000 3.047 370 W HA 1.013 5.679 4.660 0.010 0.000 0.341 370 W C -0.239 176.469 176.519 0.315 0.000 1.225 370 W CA -0.343 57.166 57.345 0.275 0.000 1.150 370 W CB 1.202 30.790 29.460 0.214 0.000 1.470 370 W HN 1.030 nan 8.180 nan 0.000 0.578 371 G N 0.323 109.422 108.800 0.498 0.000 2.352 371 G HA2 0.182 4.149 3.960 0.012 0.000 0.283 371 G HA3 0.182 4.149 3.960 0.012 0.000 0.283 371 G C -1.704 173.354 174.900 0.264 0.000 1.308 371 G CA -0.950 44.332 45.100 0.304 0.000 0.892 371 G HN 0.587 nan 8.290 nan 0.000 0.504 372 D N 0.550 121.056 120.400 0.177 0.000 2.344 372 D HA 0.386 5.033 4.640 0.012 0.000 0.244 372 D C -1.233 175.117 176.300 0.084 0.000 1.134 372 D CA -1.151 52.886 54.000 0.062 0.000 0.930 372 D CB 1.497 42.291 40.800 -0.011 0.000 1.175 372 D HN -0.033 nan 8.370 nan 0.000 0.437 373 P HA -0.101 nan 4.420 nan 0.000 0.216 373 P C 0.769 178.194 177.300 0.208 0.000 1.153 373 P CA 1.133 63.989 63.100 -0.405 0.000 0.848 373 P CB 0.384 31.605 31.700 -0.797 0.000 0.787 374 D N -1.564 119.028 120.400 0.320 0.000 2.117 374 D HA -0.136 4.510 4.640 0.012 0.000 0.198 374 D C 1.808 178.344 176.300 0.394 0.000 0.982 374 D CA 0.953 55.209 54.000 0.427 0.000 0.828 374 D CB -0.525 40.490 40.800 0.359 0.000 0.967 374 D HN 0.138 nan 8.370 nan 0.000 0.464 375 F N 1.954 122.036 119.950 0.220 0.000 2.134 375 F HA -0.204 4.329 4.527 0.011 0.000 0.299 375 F C 2.175 178.095 175.800 0.201 0.000 1.097 375 F CA 1.036 59.145 58.000 0.182 0.000 1.264 375 F CB -0.287 38.807 39.000 0.157 0.000 1.001 375 F HN -0.266 nan 8.300 nan 0.000 0.479 376 V N 2.334 122.454 119.914 0.343 0.000 2.343 376 V HA -0.369 3.758 4.120 0.012 0.000 0.247 376 V C 2.566 178.776 176.094 0.193 0.000 1.051 376 V CA 2.260 64.711 62.300 0.252 0.000 1.036 376 V CB -0.857 31.258 31.823 0.487 0.000 0.654 376 V HN 0.627 nan 8.190 nan 0.000 0.451 377 M N 0.310 120.125 119.600 0.359 0.000 2.175 377 M HA 0.037 4.524 4.480 0.012 0.000 0.264 377 M C 2.097 178.516 176.300 0.197 0.000 1.063 377 M CA 2.407 57.877 55.300 0.284 0.000 1.119 377 M CB -1.178 31.638 32.600 0.360 0.000 1.377 377 M HN 0.184 nan 8.290 nan 0.000 0.415 378 G N 1.449 110.370 108.800 0.201 0.000 2.402 378 G HA2 -0.168 3.799 3.960 0.012 0.000 0.216 378 G HA3 -0.168 3.799 3.960 0.012 0.000 0.216 378 G C 1.438 176.225 174.900 -0.189 0.000 1.162 378 G CA 0.913 46.039 45.100 0.043 0.000 0.777 378 G HN 0.432 nan 8.290 nan 0.000 0.539 379 L N 0.848 121.900 121.223 -0.285 0.000 2.083 379 L HA 0.029 4.376 4.340 0.012 0.000 0.209 379 L C 2.821 179.580 176.870 -0.185 0.000 1.083 379 L CA 1.317 55.974 54.840 -0.305 0.000 0.752 379 L CB -0.389 41.340 42.059 -0.550 0.000 0.899 379 L HN 0.075 nan 8.230 nan 0.000 0.433 380 V N -0.258 119.573 119.914 -0.137 0.000 2.358 380 V HA -0.255 3.872 4.120 0.012 0.000 0.246 380 V C 2.649 178.648 176.094 -0.159 0.000 1.047 380 V CA 1.888 64.125 62.300 -0.106 0.000 1.035 380 V CB -0.606 31.190 31.823 -0.044 0.000 0.658 380 V HN 0.477 nan 8.190 nan 0.000 0.452 381 K N 0.209 120.456 120.400 -0.256 0.000 2.057 381 K HA -0.195 4.132 4.320 0.012 0.000 0.207 381 K C 1.937 178.383 176.600 -0.258 0.000 1.049 381 K CA 1.759 57.797 56.287 -0.414 0.000 0.931 381 K CB -0.620 31.242 32.500 -1.062 0.000 0.714 381 K HN 0.309 nan 8.250 nan 0.000 0.440 382 F N 0.988 120.698 119.950 -0.400 0.000 2.146 382 F HA -0.001 4.533 4.527 0.012 0.000 0.298 382 F C 1.598 177.242 175.800 -0.260 0.000 1.096 382 F CA 1.155 58.967 58.000 -0.313 0.000 1.275 382 F CB -0.458 38.369 39.000 -0.287 0.000 1.008 382 F HN -0.010 nan 8.300 nan 0.000 0.480 383 L N -0.483 120.549 121.223 -0.319 0.000 2.127 383 L HA -0.261 4.086 4.340 0.012 0.000 0.211 383 L C 2.476 179.154 176.870 -0.320 0.000 1.089 383 L CA 1.059 55.658 54.840 -0.402 0.000 0.757 383 L CB -0.698 41.178 42.059 -0.305 0.000 0.899 383 L HN 0.189 nan 8.230 nan 0.000 0.434 384 L N -0.718 120.369 121.223 -0.227 0.000 2.056 384 L HA -0.184 4.163 4.340 0.012 0.000 0.207 384 L C 2.459 179.181 176.870 -0.247 0.000 1.078 384 L CA 1.213 55.946 54.840 -0.179 0.000 0.749 384 L CB -0.463 41.545 42.059 -0.085 0.000 0.901 384 L HN 0.279 nan 8.230 nan 0.000 0.433 385 E N 0.204 120.270 120.200 -0.222 0.000 2.153 385 E HA -0.178 4.179 4.350 0.012 0.000 0.194 385 E C 2.185 178.626 176.600 -0.264 0.000 0.988 385 E CA 0.886 57.180 56.400 -0.177 0.000 0.811 385 E CB -0.049 29.623 29.700 -0.046 0.000 0.746 385 E HN 0.495 nan 8.360 nan 0.000 0.466 386 L N -0.526 120.452 121.223 -0.409 0.000 2.478 386 L HA 0.075 4.422 4.340 0.012 0.000 0.223 386 L C 1.455 178.110 176.870 -0.359 0.000 1.140 386 L CA 0.549 55.149 54.840 -0.400 0.000 0.842 386 L CB -0.082 41.638 42.059 -0.564 0.000 0.953 386 L HN 0.339 nan 8.230 nan 0.000 0.452 387 G N -0.919 107.535 108.800 -0.577 0.000 2.141 387 G HA2 -0.230 3.737 3.960 0.012 0.000 0.231 387 G HA3 -0.230 3.737 3.960 0.012 0.000 0.231 387 G C 0.206 174.667 174.900 -0.732 0.000 0.984 387 G CA -0.098 44.413 45.100 -0.982 0.000 0.660 387 G HN 0.306 nan 8.290 nan 0.000 0.525 388 C N 0.419 119.483 119.300 -0.394 0.000 2.422 388 C HA 0.654 5.121 4.460 0.012 0.000 0.364 388 C C 0.659 175.661 174.990 0.021 0.000 1.251 388 C CA -0.505 58.461 59.018 -0.087 0.000 2.441 388 C CB 1.164 28.935 27.740 0.053 0.000 2.393 388 C HN 0.511 nan 8.230 nan 0.000 0.606 389 E N 1.650 121.934 120.200 0.140 0.000 2.102 389 E HA 0.265 4.622 4.350 0.012 0.000 0.263 389 E C -2.520 174.180 176.600 0.166 0.000 0.894 389 E CA -1.319 55.163 56.400 0.136 0.000 0.746 389 E CB 1.098 30.849 29.700 0.085 0.000 1.129 389 E HN 0.429 nan 8.360 nan 0.000 0.416 390 P HA -0.023 nan 4.420 nan 0.000 0.271 390 P C -0.030 177.308 177.300 0.063 0.000 1.216 390 P CA 0.007 63.183 63.100 0.126 0.000 0.776 390 P CB 1.249 32.993 31.700 0.074 0.000 0.881 391 V N 1.646 121.580 119.914 0.032 0.000 3.054 391 V HA 0.100 4.227 4.120 0.012 0.000 0.227 391 V C 0.289 176.271 176.094 -0.186 0.000 1.252 391 V CA 0.881 63.082 62.300 -0.165 0.000 1.279 391 V CB -0.342 31.274 31.823 -0.345 0.000 1.118 391 V HN 0.523 nan 8.190 nan 0.000 0.504 392 H N 0.578 119.790 119.070 0.236 0.000 2.539 392 H HA 0.598 5.161 4.556 0.011 0.000 0.332 392 H C -0.982 174.555 175.328 0.347 0.000 1.031 392 H CA -0.400 55.842 56.048 0.324 0.000 1.206 392 H CB 1.668 31.579 29.762 0.249 0.000 1.446 392 H HN 0.221 nan 8.280 nan 0.000 0.496 393 I N 4.556 125.429 120.570 0.504 0.000 2.382 393 I HA 0.208 4.385 4.170 0.012 0.000 0.286 393 I C -0.481 175.962 176.117 0.542 0.000 1.002 393 I CA -0.354 61.208 61.300 0.437 0.000 1.135 393 I CB 1.967 40.145 38.000 0.296 0.000 1.288 393 I HN 0.242 nan 8.210 nan 0.000 0.448 394 L N 7.095 128.630 121.223 0.521 0.000 2.341 394 L HA 0.673 5.020 4.340 0.012 0.000 0.278 394 L C -1.236 175.895 176.870 0.435 0.000 1.005 394 L CA -0.248 54.875 54.840 0.471 0.000 0.818 394 L CB 1.663 43.920 42.059 0.331 0.000 1.259 394 L HN 0.758 nan 8.230 nan 0.000 0.418 395 C N 4.030 123.536 119.300 0.344 0.000 2.547 395 C HA 0.295 4.762 4.460 0.012 0.000 0.327 395 C C 1.195 176.281 174.990 0.160 0.000 1.076 395 C CA -0.497 58.612 59.018 0.152 0.000 1.390 395 C CB 0.050 27.621 27.740 -0.281 0.000 1.918 395 C HN 1.103 nan 8.230 nan 0.000 0.438 396 H N 3.729 122.845 119.070 0.077 0.000 2.353 396 H HA -0.094 4.470 4.556 0.012 0.000 0.300 396 H C 1.387 176.720 175.328 0.009 0.000 1.090 396 H CA 1.997 58.080 56.048 0.057 0.000 1.327 396 H CB 0.462 30.258 29.762 0.056 0.000 1.383 396 H HN 0.809 nan 8.280 nan 0.000 0.508 397 N N 0.528 119.227 118.700 -0.003 0.000 2.313 397 N HA 0.083 4.830 4.740 0.012 0.000 0.207 397 N C 0.424 175.832 175.510 -0.170 0.000 1.141 397 N CA 0.313 53.286 53.050 -0.128 0.000 0.830 397 N CB -0.047 38.339 38.487 -0.168 0.000 1.008 397 N HN 0.203 nan 8.380 nan 0.000 0.481 398 G N 0.323 109.003 108.800 -0.201 0.000 2.580 398 G HA2 0.394 4.361 3.960 0.012 0.000 0.278 398 G HA3 0.394 4.361 3.960 0.012 0.000 0.278 398 G C -0.160 174.712 174.900 -0.047 0.000 1.212 398 G CA -0.594 44.303 45.100 -0.338 0.000 0.939 398 G HN 0.544 nan 8.290 nan 0.000 0.513 399 N N -1.996 116.738 118.700 0.057 0.000 2.577 399 N HA 0.314 5.061 4.740 0.012 0.000 0.285 399 N C 0.619 176.256 175.510 0.213 0.000 1.309 399 N CA -1.010 52.127 53.050 0.145 0.000 0.798 399 N CB 1.737 40.318 38.487 0.156 0.000 1.463 399 N HN 0.351 nan 8.380 nan 0.000 0.518 400 K N -0.141 120.360 120.400 0.167 0.000 2.057 400 K HA -0.018 4.309 4.320 0.012 0.000 0.207 400 K C 1.648 178.328 176.600 0.134 0.000 1.049 400 K CA 1.261 57.633 56.287 0.141 0.000 0.931 400 K CB -0.130 32.435 32.500 0.108 0.000 0.714 400 K HN 0.411 nan 8.250 nan 0.000 0.440 401 R N -0.333 120.276 120.500 0.182 0.000 2.081 401 R HA -0.179 4.168 4.340 0.012 0.000 0.235 401 R C 2.090 178.431 176.300 0.069 0.000 1.131 401 R CA 1.741 57.967 56.100 0.210 0.000 0.960 401 R CB -0.382 30.148 30.300 0.384 0.000 0.856 401 R HN 0.377 nan 8.270 nan 0.000 0.436 402 W N 2.275 123.377 121.300 -0.329 0.000 2.358 402 W HA -0.187 4.480 4.660 0.011 0.000 0.303 402 W C 2.086 178.351 176.519 -0.424 0.000 1.208 402 W CA 1.337 58.153 57.345 -0.882 0.000 1.274 402 W CB -0.023 28.940 29.460 -0.828 0.000 1.138 402 W HN -0.087 nan 8.180 nan 0.000 0.515 403 K N 0.623 120.965 120.400 -0.098 0.000 2.057 403 K HA -0.217 4.110 4.320 0.012 0.000 0.207 403 K C 2.051 178.478 176.600 -0.288 0.000 1.049 403 K CA 1.827 57.981 56.287 -0.222 0.000 0.931 403 K CB -0.233 32.300 32.500 0.056 0.000 0.714 403 K HN 0.115 nan 8.250 nan 0.000 0.440 404 K N -0.011 120.293 120.400 -0.159 0.000 2.057 404 K HA -0.114 4.213 4.320 0.012 0.000 0.207 404 K C 2.188 178.693 176.600 -0.158 0.000 1.049 404 K CA 1.237 57.458 56.287 -0.111 0.000 0.931 404 K CB -0.158 32.331 32.500 -0.018 0.000 0.714 404 K HN 0.178 nan 8.250 nan 0.000 0.440 405 A N 1.169 123.857 122.820 -0.220 0.000 1.902 405 A HA -0.127 4.200 4.320 0.012 0.000 0.217 405 A C 2.407 179.834 177.584 -0.262 0.000 1.181 405 A CA 1.471 53.405 52.037 -0.172 0.000 0.623 405 A CB -0.692 18.244 19.000 -0.106 0.000 0.818 405 A HN 0.071 nan 8.150 nan 0.000 0.443 406 V N 0.676 120.265 119.914 -0.542 0.000 2.343 406 V HA -0.225 3.902 4.120 0.012 0.000 0.247 406 V C 2.054 177.987 176.094 -0.270 0.000 1.051 406 V CA 2.225 64.230 62.300 -0.492 0.000 1.036 406 V CB -0.791 30.491 31.823 -0.901 0.000 0.654 406 V HN 0.495 nan 8.190 nan 0.000 0.451 407 D N 0.320 120.571 120.400 -0.247 0.000 2.219 407 D HA -0.081 4.566 4.640 0.012 0.000 0.205 407 D C 2.189 178.434 176.300 -0.092 0.000 0.970 407 D CA 1.448 55.359 54.000 -0.148 0.000 0.851 407 D CB -0.146 40.576 40.800 -0.130 0.000 0.943 407 D HN 0.457 nan 8.370 nan 0.000 0.488 408 A N 0.729 123.500 122.820 -0.082 0.000 1.898 408 A HA -0.110 4.217 4.320 0.012 0.000 0.216 408 A C 2.336 179.915 177.584 -0.009 0.000 1.181 408 A CA 0.751 52.768 52.037 -0.032 0.000 0.620 408 A CB -0.599 18.393 19.000 -0.013 0.000 0.819 408 A HN 0.168 nan 8.150 nan 0.000 0.442 409 I N -0.331 120.236 120.570 -0.006 0.000 2.252 409 I HA -0.238 3.939 4.170 0.012 0.000 0.245 409 I C 2.353 178.470 176.117 0.001 0.000 1.102 409 I CA 0.947 62.266 61.300 0.031 0.000 1.385 409 I CB -0.302 37.733 38.000 0.059 0.000 1.064 409 I HN 0.284 nan 8.210 nan 0.000 0.414 410 L N 0.530 121.734 121.223 -0.031 0.000 2.046 410 L HA -0.207 4.140 4.340 0.012 0.000 0.208 410 L C 2.775 179.635 176.870 -0.017 0.000 1.077 410 L CA 1.427 56.251 54.840 -0.028 0.000 0.747 410 L CB -0.693 41.336 42.059 -0.051 0.000 0.896 410 L HN 0.244 nan 8.230 nan 0.000 0.432 411 A N -0.270 122.537 122.820 -0.022 0.000 2.067 411 A HA -0.034 4.292 4.320 0.012 0.000 0.219 411 A C 2.376 179.957 177.584 -0.004 0.000 1.158 411 A CA 1.334 53.361 52.037 -0.018 0.000 0.661 411 A CB -0.496 18.491 19.000 -0.021 0.000 0.801 411 A HN 0.400 nan 8.150 nan 0.000 0.452 412 A N -1.117 121.708 122.820 0.009 0.000 2.167 412 A HA 0.298 4.624 4.320 0.012 0.000 0.214 412 A C 1.268 178.868 177.584 0.027 0.000 1.151 412 A CA 1.043 53.093 52.037 0.022 0.000 0.735 412 A CB -0.253 18.771 19.000 0.040 0.000 0.802 412 A HN 0.488 nan 8.150 nan 0.000 0.467 413 S N -1.263 114.454 115.700 0.028 0.000 2.500 413 S HA 0.537 5.014 4.470 0.012 0.000 0.301 413 S C -2.213 172.391 174.600 0.008 0.000 1.092 413 S CA -1.490 56.743 58.200 0.056 0.000 1.030 413 S CB 1.552 64.819 63.200 0.111 0.000 1.031 413 S HN -0.007 nan 8.310 nan 0.000 0.483 414 P HA -0.084 nan 4.420 nan 0.000 0.218 414 P C 0.293 177.404 177.300 -0.316 0.000 1.146 414 P CA 1.234 64.203 63.100 -0.219 0.000 0.813 414 P CB -0.072 31.422 31.700 -0.343 0.000 0.778 415 Y N -1.136 119.143 120.300 -0.034 0.000 2.561 415 Y HA 0.138 4.695 4.550 0.011 0.000 0.291 415 Y C 2.402 178.274 175.900 -0.047 0.000 1.141 415 Y CA 1.083 59.153 58.100 -0.051 0.000 1.303 415 Y CB -0.892 37.529 38.460 -0.065 0.000 1.015 415 Y HN -0.037 nan 8.280 nan 0.000 0.547 416 G N 0.013 108.843 108.800 0.051 0.000 3.337 416 G HA2 -0.014 3.953 3.960 0.012 0.000 0.246 416 G HA3 -0.014 3.953 3.960 0.012 0.000 0.246 416 G C 1.447 176.336 174.900 -0.018 0.000 1.131 416 G CA -0.162 44.949 45.100 0.018 0.000 0.773 416 G HN 0.433 nan 8.290 nan 0.000 0.544 417 K N 0.291 120.668 120.400 -0.037 0.000 2.057 417 K HA -0.024 4.303 4.320 0.012 0.000 0.207 417 K C 1.166 177.741 176.600 -0.042 0.000 1.049 417 K CA 0.987 57.245 56.287 -0.047 0.000 0.931 417 K CB -0.142 32.319 32.500 -0.065 0.000 0.714 417 K HN 0.035 nan 8.250 nan 0.000 0.440 418 N N 1.132 119.809 118.700 -0.039 0.000 2.362 418 N HA 0.124 4.871 4.740 0.012 0.000 0.204 418 N C -0.497 174.984 175.510 -0.048 0.000 1.166 418 N CA 0.265 53.290 53.050 -0.042 0.000 0.831 418 N CB 0.752 39.214 38.487 -0.043 0.000 1.008 418 N HN 0.318 nan 8.380 nan 0.000 0.472 419 A N 0.048 122.846 122.820 -0.037 0.000 2.312 419 A HA 0.696 5.023 4.320 0.012 0.000 0.328 419 A C 0.021 177.580 177.584 -0.042 0.000 1.158 419 A CA -0.168 51.852 52.037 -0.029 0.000 0.821 419 A CB 0.982 19.978 19.000 -0.007 0.000 1.170 419 A HN 0.035 nan 8.150 nan 0.000 0.490 420 T N 1.052 115.593 114.554 -0.022 0.000 2.921 420 T HA 0.491 4.848 4.350 0.012 0.000 0.297 420 T C -0.804 173.790 174.700 -0.176 0.000 1.013 420 T CA -0.332 61.677 62.100 -0.151 0.000 0.990 420 T CB 1.434 70.178 68.868 -0.206 0.000 1.023 420 T HN 0.459 nan 8.240 nan 0.000 0.447 421 V N 3.863 123.617 119.914 -0.268 0.000 2.427 421 V HA 0.490 4.617 4.120 0.012 0.000 0.286 421 V C -1.171 174.780 176.094 -0.238 0.000 1.034 421 V CA -0.644 61.590 62.300 -0.110 0.000 0.893 421 V CB 0.584 32.347 31.823 -0.100 0.000 0.982 421 V HN 0.800 nan 8.190 nan 0.000 0.452 422 Y N 5.010 125.445 120.300 0.226 0.000 2.376 422 Y HA 0.724 5.281 4.550 0.012 0.000 0.340 422 Y C 0.208 176.257 175.900 0.249 0.000 0.965 422 Y CA -0.897 57.329 58.100 0.211 0.000 1.078 422 Y CB 1.763 40.344 38.460 0.202 0.000 1.193 422 Y HN 0.606 nan 8.280 nan 0.000 0.452 423 I N -1.180 119.593 120.570 0.338 0.000 2.646 423 I HA 0.877 5.054 4.170 0.012 0.000 0.299 423 I C 0.797 177.058 176.117 0.240 0.000 1.036 423 I CA -0.955 60.512 61.300 0.279 0.000 1.074 423 I CB 2.169 40.322 38.000 0.256 0.000 1.258 423 I HN 0.738 nan 8.210 nan 0.000 0.430 424 G N 3.007 111.965 108.800 0.263 0.000 2.189 424 G HA2 -0.210 3.757 3.960 0.012 0.000 0.267 424 G HA3 -0.210 3.757 3.960 0.012 0.000 0.267 424 G C 0.020 175.050 174.900 0.217 0.000 0.975 424 G CA 0.019 45.300 45.100 0.301 0.000 0.644 424 G HN 0.640 nan 8.290 nan 0.000 0.537 425 K N 1.377 121.841 120.400 0.106 0.000 2.182 425 K HA 0.500 4.827 4.320 0.012 0.000 0.262 425 K C 0.150 176.599 176.600 -0.251 0.000 0.957 425 K CA -0.230 56.058 56.287 0.001 0.000 0.842 425 K CB 1.858 34.311 32.500 -0.078 0.000 1.099 425 K HN 0.492 nan 8.250 nan 0.000 0.438 426 D N 0.593 120.827 120.400 -0.276 0.000 2.478 426 D HA 0.118 4.765 4.640 0.012 0.000 0.269 426 D C 1.217 177.337 176.300 -0.301 0.000 1.232 426 D CA -0.643 53.067 54.000 -0.482 0.000 1.059 426 D CB 0.538 41.061 40.800 -0.462 0.000 1.104 426 D HN 0.282 nan 8.370 nan 0.000 0.566 427 L N -1.203 119.836 121.223 -0.306 0.000 2.201 427 L HA -0.026 4.321 4.340 0.012 0.000 0.212 427 L C 2.033 178.810 176.870 -0.154 0.000 1.105 427 L CA 0.553 55.201 54.840 -0.320 0.000 0.775 427 L CB -0.354 41.508 42.059 -0.328 0.000 0.913 427 L HN 0.540 nan 8.230 nan 0.000 0.440 428 W N 0.771 121.884 121.300 -0.311 0.000 2.436 428 W HA -0.160 4.507 4.660 0.012 0.000 0.284 428 W C 2.197 178.575 176.519 -0.235 0.000 1.225 428 W CA 1.289 58.484 57.345 -0.251 0.000 1.271 428 W CB -0.105 29.180 29.460 -0.291 0.000 1.114 428 W HN 0.313 nan 8.180 nan 0.000 0.559 429 H N -0.208 118.697 119.070 -0.275 0.000 2.326 429 H HA -0.209 4.354 4.556 0.011 0.000 0.301 429 H C 2.184 177.309 175.328 -0.338 0.000 1.081 429 H CA 1.687 57.440 56.048 -0.491 0.000 1.334 429 H CB -0.277 29.076 29.762 -0.682 0.000 1.385 429 H HN 0.056 nan 8.280 nan 0.000 0.504 430 L N 1.177 122.284 121.223 -0.193 0.000 2.131 430 L HA -0.133 4.214 4.340 0.012 0.000 0.210 430 L C 2.416 179.127 176.870 -0.264 0.000 1.092 430 L CA 1.365 56.056 54.840 -0.248 0.000 0.759 430 L CB -0.374 41.508 42.059 -0.295 0.000 0.903 430 L HN 0.092 nan 8.230 nan 0.000 0.435 431 R N -1.104 119.220 120.500 -0.294 0.000 2.081 431 R HA -0.149 4.198 4.340 0.012 0.000 0.235 431 R C 2.197 178.365 176.300 -0.219 0.000 1.131 431 R CA 1.762 57.675 56.100 -0.311 0.000 0.960 431 R CB -0.316 29.699 30.300 -0.475 0.000 0.856 431 R HN 0.416 nan 8.270 nan 0.000 0.436 432 S N 0.879 116.443 115.700 -0.225 0.000 2.383 432 S HA -0.049 4.428 4.470 0.012 0.000 0.227 432 S C 1.869 176.434 174.600 -0.060 0.000 1.026 432 S CA 1.078 59.230 58.200 -0.079 0.000 0.981 432 S CB -0.130 63.068 63.200 -0.003 0.000 0.818 432 S HN 0.285 nan 8.310 nan 0.000 0.472 433 L N 1.465 122.589 121.223 -0.166 0.000 2.042 433 L HA -0.116 4.231 4.340 0.012 0.000 0.210 433 L C 2.533 179.216 176.870 -0.312 0.000 1.076 433 L CA 1.315 55.937 54.840 -0.364 0.000 0.749 433 L CB -0.992 40.607 42.059 -0.767 0.000 0.893 433 L HN 0.336 nan 8.230 nan 0.000 0.432 434 V N -4.333 115.429 119.914 -0.254 0.000 2.515 434 V HA -0.207 3.920 4.120 0.012 0.000 0.250 434 V C 2.255 178.276 176.094 -0.120 0.000 1.058 434 V CA 1.267 63.477 62.300 -0.150 0.000 1.064 434 V CB -0.914 30.793 31.823 -0.193 0.000 0.675 434 V HN 0.140 nan 8.190 nan 0.000 0.461 435 F N 2.622 122.508 119.950 -0.106 0.000 2.163 435 F HA -0.029 4.503 4.527 0.007 0.000 0.297 435 F C 2.934 178.683 175.800 -0.085 0.000 1.094 435 F CA 2.078 60.008 58.000 -0.117 0.000 1.290 435 F CB -1.017 37.848 39.000 -0.225 0.000 1.017 435 F HN 0.357 nan 8.300 nan 0.000 0.483 436 T N -3.203 111.420 114.554 0.116 0.000 2.857 436 T HA -0.118 4.239 4.350 0.012 0.000 0.266 436 T C 0.687 175.437 174.700 0.083 0.000 1.048 436 T CA 1.333 63.469 62.100 0.059 0.000 1.139 436 T CB -0.184 68.691 68.868 0.011 0.000 0.874 436 T HN 0.073 nan 8.240 nan 0.000 0.455 437 D N 0.780 121.255 120.400 0.126 0.000 2.552 437 D HA 0.207 4.853 4.640 0.012 0.000 0.285 437 D C -0.698 175.733 176.300 0.218 0.000 1.206 437 D CA -0.547 53.554 54.000 0.170 0.000 0.826 437 D CB 0.348 41.285 40.800 0.228 0.000 1.179 437 D HN 0.287 nan 8.370 nan 0.000 0.508 438 K N 2.903 123.383 120.400 0.133 0.000 2.453 438 K HA 0.119 4.446 4.320 0.012 0.000 0.280 438 K C -2.169 174.460 176.600 0.047 0.000 1.045 438 K CA -0.707 55.634 56.287 0.091 0.000 1.059 438 K CB 0.557 33.107 32.500 0.083 0.000 0.901 438 K HN 0.250 nan 8.250 nan 0.000 0.475 439 P HA 0.164 nan 4.420 nan 0.000 0.284 439 P C -0.434 176.779 177.300 -0.145 0.000 1.287 439 P CA -0.431 62.650 63.100 -0.031 0.000 0.824 439 P CB 0.971 32.706 31.700 0.060 0.000 1.180 440 D N -0.683 119.562 120.400 -0.259 0.000 2.123 440 D HA 0.044 4.691 4.640 0.012 0.000 0.200 440 D C 0.344 176.147 176.300 -0.827 0.000 0.976 440 D CA 1.656 55.357 54.000 -0.499 0.000 0.831 440 D CB -0.008 40.561 40.800 -0.385 0.000 0.974 440 D HN 0.318 nan 8.370 nan 0.000 0.469 441 F N -0.920 118.898 119.950 -0.220 0.000 2.664 441 F HA 0.452 4.987 4.527 0.014 0.000 0.317 441 F C -0.071 175.842 175.800 0.188 0.000 1.108 441 F CA -0.984 57.013 58.000 -0.005 0.000 0.957 441 F CB 1.694 40.736 39.000 0.070 0.000 1.365 441 F HN -0.422 nan 8.300 nan 0.000 0.475 442 M N 2.350 122.216 119.600 0.442 0.000 2.383 442 M HA 0.583 5.070 4.480 0.012 0.000 0.325 442 M C -1.425 175.044 176.300 0.282 0.000 1.092 442 M CA -0.458 55.082 55.300 0.400 0.000 0.961 442 M CB 2.279 35.122 32.600 0.404 0.000 1.672 442 M HN 0.383 nan 8.290 nan 0.000 0.438 443 I N 2.247 122.893 120.570 0.126 0.000 2.439 443 I HA 0.766 4.943 4.170 0.012 0.000 0.285 443 I C 0.134 175.952 176.117 -0.498 0.000 1.021 443 I CA -0.329 60.928 61.300 -0.073 0.000 1.091 443 I CB 1.794 39.768 38.000 -0.043 0.000 1.242 443 I HN 0.860 nan 8.210 nan 0.000 0.439 444 G N 4.454 112.807 108.800 -0.745 0.000 2.494 444 G HA2 0.249 4.216 3.960 0.012 0.000 0.308 444 G HA3 0.249 4.216 3.960 0.012 0.000 0.308 444 G C -1.562 172.929 174.900 -0.681 0.000 1.263 444 G CA -0.678 43.498 45.100 -1.540 0.000 0.840 444 G HN 0.577 nan 8.290 nan 0.000 0.479 445 N N -0.908 117.542 118.700 -0.416 0.000 2.431 445 N HA 0.364 5.111 4.740 0.012 0.000 0.289 445 N C 1.298 176.774 175.510 -0.058 0.000 1.277 445 N CA 0.364 53.314 53.050 -0.167 0.000 0.972 445 N CB 0.395 38.782 38.487 -0.166 0.000 1.143 445 N HN 0.257 nan 8.380 nan 0.000 0.578 446 S N -1.507 114.030 115.700 -0.272 0.000 2.400 446 S HA -0.127 4.350 4.470 0.012 0.000 0.232 446 S C 1.325 175.860 174.600 -0.108 0.000 1.025 446 S CA 0.884 58.931 58.200 -0.255 0.000 0.993 446 S CB -0.784 62.167 63.200 -0.414 0.000 0.808 446 S HN 0.486 nan 8.310 nan 0.000 0.478 447 Y N 1.611 121.997 120.300 0.143 0.000 2.298 447 Y HA -0.092 4.464 4.550 0.011 0.000 0.287 447 Y C 2.540 178.592 175.900 0.252 0.000 1.164 447 Y CA 0.411 58.655 58.100 0.240 0.000 1.229 447 Y CB -1.225 37.389 38.460 0.257 0.000 0.977 447 Y HN 0.337 nan 8.280 nan 0.000 0.538 448 G N 0.342 109.448 108.800 0.509 0.000 2.509 448 G HA2 -0.234 3.733 3.960 0.012 0.000 0.218 448 G HA3 -0.234 3.733 3.960 0.012 0.000 0.218 448 G C 1.704 176.728 174.900 0.207 0.000 1.124 448 G CA 0.785 46.177 45.100 0.487 0.000 0.776 448 G HN 0.548 nan 8.290 nan 0.000 0.547 449 K N -0.409 119.988 120.400 -0.004 0.000 2.211 449 K HA -0.005 4.322 4.320 0.012 0.000 0.203 449 K C 1.802 178.308 176.600 -0.156 0.000 1.050 449 K CA 0.892 57.093 56.287 -0.145 0.000 0.945 449 K CB -0.434 31.884 32.500 -0.304 0.000 0.732 449 K HN 0.217 nan 8.250 nan 0.000 0.451 450 F N 1.991 122.033 119.950 0.153 0.000 2.234 450 F HA 0.021 4.554 4.527 0.010 0.000 0.299 450 F C 2.128 178.004 175.800 0.127 0.000 1.087 450 F CA 0.548 58.633 58.000 0.141 0.000 1.340 450 F CB -0.354 38.744 39.000 0.163 0.000 1.031 450 F HN -0.083 nan 8.300 nan 0.000 0.500 451 I N -0.406 120.312 120.570 0.246 0.000 2.252 451 I HA -0.306 3.871 4.170 0.012 0.000 0.245 451 I C 2.569 178.726 176.117 0.067 0.000 1.102 451 I CA 1.364 62.735 61.300 0.119 0.000 1.385 451 I CB -0.572 37.451 38.000 0.037 0.000 1.064 451 I HN 0.189 nan 8.210 nan 0.000 0.414 452 Q N 1.060 120.907 119.800 0.078 0.000 2.096 452 Q HA -0.257 4.090 4.340 0.012 0.000 0.204 452 Q C 2.472 178.519 176.000 0.078 0.000 0.982 452 Q CA 1.426 57.259 55.803 0.050 0.000 0.850 452 Q CB -0.090 28.678 28.738 0.051 0.000 0.901 452 Q HN 0.254 nan 8.270 nan 0.000 0.422 453 R N 0.586 121.154 120.500 0.114 0.000 2.091 453 R HA -0.162 4.185 4.340 0.012 0.000 0.238 453 R C 1.193 177.613 176.300 0.200 0.000 1.136 453 R CA 1.985 58.170 56.100 0.141 0.000 0.959 453 R CB -0.393 30.014 30.300 0.179 0.000 0.856 453 R HN 0.384 nan 8.270 nan 0.000 0.437 454 D N -0.399 120.156 120.400 0.259 0.000 2.117 454 D HA -0.112 4.535 4.640 0.012 0.000 0.198 454 D C 1.885 178.517 176.300 0.552 0.000 0.982 454 D CA 2.196 56.459 54.000 0.440 0.000 0.828 454 D CB -0.420 40.672 40.800 0.487 0.000 0.967 454 D HN 0.465 nan 8.370 nan 0.000 0.464 455 T N -0.464 114.189 114.554 0.165 0.000 2.821 455 T HA -0.138 4.219 4.350 0.012 0.000 0.267 455 T C 2.016 176.872 174.700 0.259 0.000 1.046 455 T CA 0.658 62.772 62.100 0.023 0.000 1.139 455 T CB -0.514 68.192 68.868 -0.271 0.000 0.871 455 T HN 0.059 nan 8.240 nan 0.000 0.454 456 L N 1.003 122.342 121.223 0.194 0.000 2.141 456 L HA 0.068 4.414 4.340 0.012 0.000 0.209 456 L C 2.439 179.430 176.870 0.201 0.000 1.094 456 L CA 1.823 56.768 54.840 0.176 0.000 0.763 456 L CB -1.006 41.121 42.059 0.114 0.000 0.908 456 L HN 0.412 nan 8.230 nan 0.000 0.437 457 H N -0.177 118.957 119.070 0.107 0.000 2.421 457 H HA -0.183 4.382 4.556 0.014 0.000 0.298 457 H C 2.281 177.618 175.328 0.015 0.000 1.087 457 H CA 2.192 58.211 56.048 -0.048 0.000 1.330 457 H CB 0.041 29.629 29.762 -0.289 0.000 1.388 457 H HN 0.385 nan 8.280 nan 0.000 0.526 458 K N -0.528 119.965 120.400 0.154 0.000 2.025 458 K HA 0.029 4.356 4.320 0.012 0.000 0.207 458 K C 0.196 176.937 176.600 0.235 0.000 1.049 458 K CA 1.142 57.545 56.287 0.193 0.000 0.933 458 K CB -0.007 32.675 32.500 0.303 0.000 0.714 458 K HN 0.428 nan 8.250 nan 0.000 0.438 459 G N -0.314 108.741 108.800 0.425 0.000 2.442 459 G HA2 0.096 4.063 3.960 0.012 0.000 0.296 459 G HA3 0.096 4.063 3.960 0.012 0.000 0.296 459 G C -0.839 174.214 174.900 0.255 0.000 1.564 459 G CA -0.540 44.821 45.100 0.434 0.000 0.828 459 G HN -0.021 nan 8.290 nan 0.000 0.571 460 K N 0.455 120.909 120.400 0.091 0.000 2.147 460 K HA -0.070 4.257 4.320 0.012 0.000 0.205 460 K C 2.258 178.820 176.600 -0.063 0.000 1.049 460 K CA 2.304 58.602 56.287 0.019 0.000 0.936 460 K CB 0.166 32.663 32.500 -0.005 0.000 0.722 460 K HN 0.591 nan 8.250 nan 0.000 0.446 461 E N -0.625 119.460 120.200 -0.193 0.000 2.358 461 E HA -0.142 4.215 4.350 0.012 0.000 0.195 461 E C 0.987 177.327 176.600 -0.434 0.000 1.010 461 E CA 0.852 57.032 56.400 -0.367 0.000 0.856 461 E CB -0.225 29.154 29.700 -0.536 0.000 0.795 461 E HN 0.372 nan 8.360 nan 0.000 0.504 462 F N 1.639 121.595 119.950 0.010 0.000 2.749 462 F HA 0.224 4.756 4.527 0.008 0.000 0.300 462 F C 1.089 176.866 175.800 -0.039 0.000 1.103 462 F CA -0.510 57.500 58.000 0.017 0.000 1.342 462 F CB 0.085 39.155 39.000 0.116 0.000 1.098 462 F HN -0.073 nan 8.300 nan 0.000 0.586 463 E N 1.893 122.152 120.200 0.098 0.000 2.480 463 E HA 0.141 4.498 4.350 0.012 0.000 0.258 463 E C -0.878 175.679 176.600 -0.071 0.000 0.984 463 E CA -0.045 56.368 56.400 0.021 0.000 0.930 463 E CB 0.687 30.394 29.700 0.012 0.000 0.936 463 E HN -0.074 nan 8.360 nan 0.000 0.466 464 V N 7.836 127.697 119.914 -0.089 0.000 2.334 464 V HA 0.277 4.404 4.120 0.012 0.000 0.281 464 V C -2.175 173.881 176.094 -0.063 0.000 1.016 464 V CA -1.903 60.317 62.300 -0.134 0.000 0.832 464 V CB 1.221 32.981 31.823 -0.106 0.000 0.999 464 V HN 0.759 nan 8.190 nan 0.000 0.439 465 P HA 0.176 nan 4.420 nan 0.000 0.271 465 P C -0.706 176.734 177.300 0.234 0.000 1.218 465 P CA -0.385 62.775 63.100 0.100 0.000 0.780 465 P CB 0.674 32.490 31.700 0.192 0.000 0.901 466 L N 4.540 125.874 121.223 0.186 0.000 2.257 466 L HA 0.390 4.737 4.340 0.012 0.000 0.290 466 L C -0.820 176.133 176.870 0.139 0.000 1.044 466 L CA -0.038 54.908 54.840 0.177 0.000 0.810 466 L CB -0.238 41.899 42.059 0.130 0.000 1.193 466 L HN 0.245 nan 8.230 nan 0.000 0.425 467 I N 5.788 126.436 120.570 0.130 0.000 2.304 467 I HA 0.337 4.514 4.170 0.012 0.000 0.291 467 I C 0.223 176.337 176.117 -0.005 0.000 1.018 467 I CA -0.486 60.846 61.300 0.054 0.000 1.260 467 I CB 0.669 38.694 38.000 0.041 0.000 1.390 467 I HN 0.523 nan 8.210 nan 0.000 0.475 468 R N 7.563 128.055 120.500 -0.012 0.000 2.272 468 R HA 0.541 4.888 4.340 0.012 0.000 0.334 468 R C -0.883 175.421 176.300 0.006 0.000 1.117 468 R CA 0.078 56.158 56.100 -0.034 0.000 0.966 468 R CB 0.194 30.475 30.300 -0.032 0.000 1.049 468 R HN 0.548 nan 8.270 nan 0.000 0.477 469 I N 1.901 122.470 120.570 -0.001 0.000 2.548 469 I HA 0.562 4.739 4.170 0.012 0.000 0.287 469 I C 0.427 176.562 176.117 0.029 0.000 1.103 469 I CA -0.551 60.825 61.300 0.127 0.000 1.049 469 I CB 2.228 40.328 38.000 0.167 0.000 1.232 469 I HN 0.799 nan 8.210 nan 0.000 0.429 470 G N 5.035 113.868 108.800 0.054 0.000 2.293 470 G HA2 0.135 4.102 3.960 0.012 0.000 0.282 470 G HA3 0.135 4.102 3.960 0.012 0.000 0.282 470 G C -2.084 172.709 174.900 -0.179 0.000 1.299 470 G CA -0.713 44.194 45.100 -0.322 0.000 1.018 470 G HN 0.543 nan 8.290 nan 0.000 0.478 471 F N 1.931 121.656 119.950 -0.376 0.000 2.601 471 F HA 0.795 5.330 4.527 0.012 0.000 0.309 471 F C -2.292 173.299 175.800 -0.348 0.000 1.089 471 F CA -1.942 55.794 58.000 -0.440 0.000 0.940 471 F CB 2.662 41.418 39.000 -0.406 0.000 1.273 471 F HN 0.496 nan 8.300 nan 0.000 0.450 472 P HA 0.368 nan 4.420 nan 0.000 0.282 472 P C -0.960 175.626 177.300 -1.190 0.000 1.249 472 P CA -0.069 61.919 63.100 -1.853 0.000 0.806 472 P CB 1.946 32.052 31.700 -2.657 0.000 0.984 473 I N 3.318 123.484 120.570 -0.674 0.000 2.405 473 I HA 0.194 4.371 4.170 0.012 0.000 0.280 473 I C 0.252 176.103 176.117 -0.443 0.000 1.027 473 I CA -0.460 60.546 61.300 -0.490 0.000 1.161 473 I CB 0.614 38.480 38.000 -0.224 0.000 1.300 473 I HN 0.192 nan 8.210 nan 0.000 0.463 474 F N 2.307 122.103 119.950 -0.258 0.000 2.720 474 F HA 0.066 4.600 4.527 0.011 0.000 0.301 474 F C 1.712 177.432 175.800 -0.133 0.000 1.103 474 F CA -0.368 57.501 58.000 -0.218 0.000 1.291 474 F CB -0.175 38.685 39.000 -0.233 0.000 1.086 474 F HN 0.466 nan 8.300 nan 0.000 0.592 475 D N -1.058 119.362 120.400 0.033 0.000 2.349 475 D HA 0.083 4.730 4.640 0.012 0.000 0.214 475 D C 0.656 176.984 176.300 0.047 0.000 1.063 475 D CA 0.269 54.290 54.000 0.034 0.000 0.847 475 D CB 0.259 41.049 40.800 -0.016 0.000 0.933 475 D HN -0.080 nan 8.370 nan 0.000 0.513 476 R N -0.113 120.418 120.500 0.052 0.000 2.837 476 R HA 0.411 4.758 4.340 0.012 0.000 0.271 476 R C -0.646 175.735 176.300 0.135 0.000 0.993 476 R CA -0.613 55.532 56.100 0.075 0.000 0.931 476 R CB 1.120 31.433 30.300 0.022 0.000 1.206 476 R HN 0.240 nan 8.270 nan 0.000 0.474 477 H N 2.073 121.074 119.070 -0.115 0.000 2.467 477 H HA 0.220 4.783 4.556 0.012 0.000 0.326 477 H C -0.106 175.079 175.328 -0.238 0.000 1.094 477 H CA -0.451 55.423 56.048 -0.289 0.000 1.253 477 H CB 0.977 30.518 29.762 -0.367 0.000 1.439 477 H HN 0.604 nan 8.280 nan 0.000 0.479 478 H N 1.922 121.065 119.070 0.121 0.000 2.899 478 H HA -0.176 4.387 4.556 0.012 0.000 0.282 478 H C 1.052 176.319 175.328 -0.102 0.000 1.198 478 H CA 0.440 56.480 56.048 -0.013 0.000 1.140 478 H CB -1.485 28.264 29.762 -0.022 0.000 1.317 478 H HN 0.683 nan 8.280 nan 0.000 0.375 479 L N 0.814 122.069 121.223 0.053 0.000 2.395 479 L HA -0.089 4.258 4.340 0.012 0.000 0.218 479 L C 2.663 179.624 176.870 0.152 0.000 1.130 479 L CA 1.150 56.041 54.840 0.086 0.000 0.826 479 L CB -0.409 41.706 42.059 0.094 0.000 0.941 479 L HN 0.502 nan 8.230 nan 0.000 0.451 480 H N -0.020 119.058 119.070 0.013 0.000 2.567 480 H HA -0.054 4.509 4.556 0.011 0.000 0.276 480 H C 1.432 176.922 175.328 0.269 0.000 1.016 480 H CA 0.351 56.423 56.048 0.039 0.000 1.186 480 H CB -0.199 29.429 29.762 -0.224 0.000 1.351 480 H HN 0.375 nan 8.280 nan 0.000 0.605 481 R N 0.780 121.188 120.500 -0.153 0.000 2.317 481 R HA 0.162 4.509 4.340 0.012 0.000 0.208 481 R C 0.436 176.782 176.300 0.076 0.000 0.914 481 R CA -0.077 55.993 56.100 -0.050 0.000 1.060 481 R CB 0.514 30.723 30.300 -0.153 0.000 1.015 481 R HN 0.089 nan 8.270 nan 0.000 0.498 482 S N 0.462 116.247 115.700 0.141 0.000 2.617 482 S HA 0.172 4.649 4.470 0.012 0.000 0.259 482 S C 0.314 174.898 174.600 -0.028 0.000 1.301 482 S CA 0.028 58.244 58.200 0.027 0.000 0.984 482 S CB 1.288 64.449 63.200 -0.065 0.000 0.954 482 S HN 0.032 nan 8.310 nan 0.000 0.572 483 T N 0.805 115.272 114.554 -0.146 0.000 2.861 483 T HA 0.503 4.860 4.350 0.012 0.000 0.287 483 T C 0.890 175.434 174.700 -0.260 0.000 1.003 483 T CA -0.692 61.319 62.100 -0.147 0.000 0.977 483 T CB 1.664 70.481 68.868 -0.086 0.000 0.996 483 T HN 0.739 nan 8.240 nan 0.000 0.448 484 T N -0.230 114.172 114.554 -0.253 0.000 2.959 484 T HA 0.374 4.731 4.350 0.012 0.000 0.254 484 T C 0.596 175.180 174.700 -0.193 0.000 1.003 484 T CA -0.175 61.789 62.100 -0.226 0.000 0.950 484 T CB -0.075 68.702 68.868 -0.153 0.000 1.090 484 T HN 0.351 nan 8.240 nan 0.000 0.503 485 L N 1.823 122.935 121.223 -0.184 0.000 2.421 485 L HA 0.618 4.965 4.340 0.012 0.000 0.263 485 L C 1.509 178.218 176.870 -0.269 0.000 1.122 485 L CA 0.069 54.771 54.840 -0.230 0.000 0.804 485 L CB 0.232 42.142 42.059 -0.248 0.000 1.150 485 L HN 0.573 nan 8.230 nan 0.000 0.457 486 G N 0.265 108.861 108.800 -0.340 0.000 2.601 486 G HA2 -0.337 3.630 3.960 0.012 0.000 0.261 486 G HA3 -0.337 3.630 3.960 0.012 0.000 0.261 486 G C 0.095 174.785 174.900 -0.350 0.000 1.289 486 G CA 0.505 45.350 45.100 -0.426 0.000 0.920 486 G HN 0.565 nan 8.290 nan 0.000 0.571 487 Y N 0.369 120.586 120.300 -0.138 0.000 2.200 487 Y HA 0.043 4.600 4.550 0.011 0.000 0.290 487 Y C 2.883 178.708 175.900 -0.125 0.000 1.137 487 Y CA 1.906 59.930 58.100 -0.127 0.000 1.163 487 Y CB -0.590 37.828 38.460 -0.070 0.000 0.988 487 Y HN 0.754 nan 8.280 nan 0.000 0.518 488 E N -0.140 120.082 120.200 0.036 0.000 2.077 488 E HA -0.144 4.213 4.350 0.012 0.000 0.193 488 E C 2.521 179.079 176.600 -0.070 0.000 0.989 488 E CA 1.114 57.508 56.400 -0.010 0.000 0.800 488 E CB -0.470 29.218 29.700 -0.020 0.000 0.746 488 E HN 0.482 nan 8.360 nan 0.000 0.452 489 G N 0.641 109.364 108.800 -0.130 0.000 2.402 489 G HA2 -0.228 3.739 3.960 0.012 0.000 0.216 489 G HA3 -0.228 3.739 3.960 0.012 0.000 0.216 489 G C 1.658 176.436 174.900 -0.204 0.000 1.162 489 G CA 0.854 45.849 45.100 -0.175 0.000 0.777 489 G HN 0.404 nan 8.290 nan 0.000 0.539 490 A N 0.673 123.319 122.820 -0.291 0.000 1.902 490 A HA 0.004 4.331 4.320 0.012 0.000 0.217 490 A C 2.467 180.011 177.584 -0.068 0.000 1.181 490 A CA 1.841 53.596 52.037 -0.471 0.000 0.623 490 A CB -0.362 18.246 19.000 -0.654 0.000 0.818 490 A HN 0.391 nan 8.150 nan 0.000 0.443 491 M N -1.172 118.417 119.600 -0.019 0.000 2.132 491 M HA -0.207 4.280 4.480 0.012 0.000 0.263 491 M C 2.479 178.793 176.300 0.024 0.000 1.065 491 M CA 1.641 56.963 55.300 0.037 0.000 1.122 491 M CB -0.439 32.172 32.600 0.019 0.000 1.365 491 M HN 0.489 nan 8.290 nan 0.000 0.411 492 Q N 0.301 120.092 119.800 -0.016 0.000 2.079 492 Q HA -0.113 4.234 4.340 0.012 0.000 0.200 492 Q C 2.029 178.018 176.000 -0.019 0.000 0.974 492 Q CA 1.287 57.072 55.803 -0.030 0.000 0.840 492 Q CB -0.110 28.589 28.738 -0.066 0.000 0.898 492 Q HN 0.551 nan 8.270 nan 0.000 0.430 493 I N 0.578 121.146 120.570 -0.002 0.000 2.252 493 I HA -0.271 3.906 4.170 0.012 0.000 0.245 493 I C 2.363 178.530 176.117 0.083 0.000 1.102 493 I CA 0.755 62.080 61.300 0.041 0.000 1.385 493 I CB -0.184 37.865 38.000 0.081 0.000 1.064 493 I HN 0.252 nan 8.210 nan 0.000 0.414 494 L N 0.286 121.614 121.223 0.174 0.000 2.046 494 L HA -0.234 4.113 4.340 0.012 0.000 0.208 494 L C 2.553 179.426 176.870 0.006 0.000 1.077 494 L CA 1.741 56.629 54.840 0.081 0.000 0.747 494 L CB -0.349 41.800 42.059 0.150 0.000 0.896 494 L HN 0.225 nan 8.230 nan 0.000 0.432 495 T N -1.084 113.477 114.554 0.012 0.000 2.777 495 T HA -0.165 4.192 4.350 0.012 0.000 0.266 495 T C 1.737 176.412 174.700 -0.042 0.000 1.040 495 T CA 1.867 63.958 62.100 -0.015 0.000 1.141 495 T CB -0.351 68.511 68.868 -0.010 0.000 0.868 495 T HN 0.424 nan 8.240 nan 0.000 0.444 496 T N 2.400 116.928 114.554 -0.044 0.000 2.746 496 T HA 0.065 4.422 4.350 0.012 0.000 0.267 496 T C 1.985 176.625 174.700 -0.100 0.000 1.039 496 T CA 0.838 62.900 62.100 -0.063 0.000 1.142 496 T CB -0.405 68.430 68.868 -0.055 0.000 0.866 496 T HN 0.238 nan 8.240 nan 0.000 0.444 497 L N 0.440 121.599 121.223 -0.107 0.000 2.056 497 L HA -0.032 4.315 4.340 0.012 0.000 0.207 497 L C 2.696 179.487 176.870 -0.132 0.000 1.078 497 L CA 0.842 55.597 54.840 -0.142 0.000 0.749 497 L CB -0.618 41.341 42.059 -0.167 0.000 0.901 497 L HN 0.141 nan 8.230 nan 0.000 0.433 498 V N 0.359 120.219 119.914 -0.089 0.000 2.358 498 V HA -0.272 3.855 4.120 0.012 0.000 0.246 498 V C 1.914 177.925 176.094 -0.137 0.000 1.047 498 V CA 2.229 64.484 62.300 -0.075 0.000 1.035 498 V CB -0.388 31.420 31.823 -0.025 0.000 0.658 498 V HN 0.532 nan 8.190 nan 0.000 0.452 499 N N -0.541 118.084 118.700 -0.126 0.000 2.309 499 N HA -0.122 4.625 4.740 0.012 0.000 0.182 499 N C 1.907 177.327 175.510 -0.150 0.000 1.018 499 N CA 1.274 54.243 53.050 -0.136 0.000 0.876 499 N CB -0.096 38.334 38.487 -0.095 0.000 0.972 499 N HN 0.395 nan 8.380 nan 0.000 0.434 500 S N 0.835 116.422 115.700 -0.189 0.000 2.383 500 S HA 0.002 4.479 4.470 0.012 0.000 0.227 500 S C 1.908 176.364 174.600 -0.240 0.000 1.026 500 S CA 0.630 58.694 58.200 -0.227 0.000 0.981 500 S CB -0.086 62.886 63.200 -0.380 0.000 0.818 500 S HN 0.263 nan 8.310 nan 0.000 0.472 501 I N 1.319 121.705 120.570 -0.307 0.000 2.226 501 I HA -0.185 3.992 4.170 0.012 0.000 0.245 501 I C 1.986 178.027 176.117 -0.126 0.000 1.100 501 I CA 1.153 62.377 61.300 -0.127 0.000 1.374 501 I CB -0.317 37.632 38.000 -0.086 0.000 1.057 501 I HN 0.247 nan 8.210 nan 0.000 0.413 502 L N 0.138 121.208 121.223 -0.255 0.000 2.109 502 L HA -0.190 4.157 4.340 0.012 0.000 0.207 502 L C 2.564 179.320 176.870 -0.191 0.000 1.086 502 L CA 1.245 55.880 54.840 -0.341 0.000 0.760 502 L CB -0.526 41.294 42.059 -0.398 0.000 0.910 502 L HN 0.291 nan 8.230 nan 0.000 0.437 503 E N 0.426 120.558 120.200 -0.113 0.000 2.072 503 E HA -0.278 4.079 4.350 0.012 0.000 0.191 503 E C 2.290 178.889 176.600 -0.001 0.000 0.985 503 E CA 1.002 57.372 56.400 -0.050 0.000 0.801 503 E CB 0.147 29.828 29.700 -0.031 0.000 0.750 503 E HN 0.147 nan 8.360 nan 0.000 0.452 504 R N 0.583 121.112 120.500 0.049 0.000 2.075 504 R HA -0.115 4.231 4.340 0.012 0.000 0.232 504 R C 2.300 178.617 176.300 0.029 0.000 1.126 504 R CA 1.181 57.336 56.100 0.092 0.000 0.963 504 R CB -0.871 29.582 30.300 0.254 0.000 0.858 504 R HN 0.311 nan 8.270 nan 0.000 0.435 505 L N 0.711 121.930 121.223 -0.006 0.000 2.046 505 L HA -0.105 4.242 4.340 0.012 0.000 0.208 505 L C 1.316 178.176 176.870 -0.017 0.000 1.077 505 L CA 2.087 56.905 54.840 -0.037 0.000 0.747 505 L CB -0.806 41.176 42.059 -0.129 0.000 0.896 505 L HN 0.175 nan 8.230 nan 0.000 0.432 506 D N -0.534 119.856 120.400 -0.016 0.000 2.178 506 D HA -0.206 4.441 4.640 0.012 0.000 0.202 506 D C 2.112 178.480 176.300 0.114 0.000 0.974 506 D CA 1.170 55.229 54.000 0.099 0.000 0.841 506 D CB 0.107 40.934 40.800 0.044 0.000 0.953 506 D HN 0.574 nan 8.370 nan 0.000 0.478 507 E N 0.504 120.726 120.200 0.037 0.000 2.106 507 E HA -0.146 4.211 4.350 0.012 0.000 0.192 507 E C 1.391 177.972 176.600 -0.031 0.000 0.984 507 E CA 0.759 57.161 56.400 0.003 0.000 0.806 507 E CB 0.144 29.846 29.700 0.004 0.000 0.750 507 E HN 0.309 nan 8.360 nan 0.000 0.458 508 E N -0.566 119.616 120.200 -0.029 0.000 2.427 508 E HA -0.063 4.294 4.350 0.012 0.000 0.196 508 E C 1.054 177.605 176.600 -0.082 0.000 1.028 508 E CA 1.208 57.576 56.400 -0.053 0.000 0.864 508 E CB 0.338 30.011 29.700 -0.046 0.000 0.813 508 E HN 0.274 nan 8.360 nan 0.000 0.514 509 T N -2.323 112.188 114.554 -0.073 0.000 3.182 509 T HA 0.238 4.595 4.350 0.012 0.000 0.277 509 T C 1.159 175.668 174.700 -0.319 0.000 1.013 509 T CA -0.502 61.521 62.100 -0.129 0.000 0.900 509 T CB 0.284 69.138 68.868 -0.023 0.000 1.098 509 T HN -0.101 nan 8.240 nan 0.000 0.543 510 R N 1.138 121.415 120.500 -0.372 0.000 2.317 510 R HA 0.342 4.689 4.340 0.012 0.000 0.208 510 R C 1.086 177.200 176.300 -0.310 0.000 0.914 510 R CA -0.092 55.656 56.100 -0.587 0.000 1.060 510 R CB -0.299 29.778 30.300 -0.371 0.000 1.015 510 R HN 0.426 nan 8.270 nan 0.000 0.498 511 G N 1.309 109.989 108.800 -0.199 0.000 2.360 511 G HA2 0.165 4.132 3.960 0.012 0.000 0.279 511 G HA3 0.165 4.132 3.960 0.012 0.000 0.279 511 G C -0.345 174.501 174.900 -0.090 0.000 1.189 511 G CA -0.489 44.543 45.100 -0.113 0.000 0.941 511 G HN 0.210 nan 8.290 nan 0.000 0.445 512 M N 2.504 122.064 119.600 -0.067 0.000 2.260 512 M HA 0.087 4.574 4.480 0.012 0.000 0.348 512 M C 1.131 177.429 176.300 -0.004 0.000 1.342 512 M CA 0.687 55.965 55.300 -0.035 0.000 1.040 512 M CB 0.152 32.737 32.600 -0.024 0.000 1.810 512 M HN 0.818 nan 8.290 nan 0.000 0.453 513 Q N 2.246 122.058 119.800 0.020 0.000 2.457 513 Q HA -0.309 4.038 4.340 0.012 0.000 0.283 513 Q C -0.696 175.340 176.000 0.060 0.000 1.234 513 Q CA 0.909 56.740 55.803 0.046 0.000 0.877 513 Q CB -1.172 27.584 28.738 0.030 0.000 1.250 513 Q HN 0.952 nan 8.270 nan 0.000 0.481 514 A N -1.660 121.203 122.820 0.072 0.000 1.749 514 A HA 0.170 4.497 4.320 0.012 0.000 0.187 514 A C 1.243 178.918 177.584 0.152 0.000 1.742 514 A CA 0.736 52.826 52.037 0.089 0.000 1.133 514 A CB 0.006 19.026 19.000 0.033 0.000 0.996 514 A HN 0.719 nan 8.150 nan 0.000 0.585 515 T N -1.415 113.146 114.554 0.012 0.000 3.003 515 T HA 0.087 4.444 4.350 0.012 0.000 0.261 515 T C 0.874 175.351 174.700 -0.372 0.000 1.003 515 T CA 1.016 63.009 62.100 -0.178 0.000 0.917 515 T CB 0.051 68.825 68.868 -0.156 0.000 1.084 515 T HN 0.389 nan 8.240 nan 0.000 0.522 516 D N 1.829 122.134 120.400 -0.159 0.000 2.392 516 D HA -0.163 4.484 4.640 0.012 0.000 0.228 516 D C 1.567 177.852 176.300 -0.025 0.000 1.003 516 D CA 0.400 54.331 54.000 -0.115 0.000 0.917 516 D CB -0.784 39.961 40.800 -0.093 0.000 0.890 516 D HN 0.713 nan 8.370 nan 0.000 0.532 517 Y N 0.001 120.328 120.300 0.045 0.000 2.421 517 Y HA 0.065 4.619 4.550 0.006 0.000 0.292 517 Y C 1.338 177.277 175.900 0.066 0.000 1.136 517 Y CA 0.872 59.001 58.100 0.048 0.000 1.255 517 Y CB -1.040 37.438 38.460 0.031 0.000 0.991 517 Y HN -0.032 nan 8.280 nan 0.000 0.552 518 N N -0.333 118.116 118.700 -0.418 0.000 2.238 518 N HA -0.031 4.716 4.740 0.012 0.000 0.222 518 N C -0.710 174.777 175.510 -0.038 0.000 1.133 518 N CA -0.194 52.744 53.050 -0.186 0.000 0.854 518 N CB -0.487 37.811 38.487 -0.315 0.000 1.041 518 N HN 0.350 nan 8.380 nan 0.000 0.510 519 H N 0.408 119.406 119.070 -0.120 0.000 2.745 519 H HA 0.244 4.810 4.556 0.017 0.000 0.235 519 H C -0.935 174.374 175.328 -0.032 0.000 1.815 519 H CA -0.648 55.353 56.048 -0.078 0.000 1.321 519 H CB -0.688 29.031 29.762 -0.071 0.000 1.716 519 H HN 0.124 nan 8.280 nan 0.000 0.546 520 D N 2.711 123.064 120.400 -0.078 0.000 2.350 520 D HA -0.044 4.603 4.640 0.012 0.000 0.249 520 D C 1.436 177.660 176.300 -0.126 0.000 1.119 520 D CA -0.368 53.597 54.000 -0.059 0.000 0.886 520 D CB 1.418 42.225 40.800 0.011 0.000 1.195 520 D HN 0.397 nan 8.370 nan 0.000 0.437 521 L N 3.108 124.285 121.223 -0.076 0.000 2.027 521 L HA -0.043 4.304 4.340 0.012 0.000 0.206 521 L C 0.205 177.041 176.870 -0.056 0.000 1.074 521 L CA 1.490 56.284 54.840 -0.077 0.000 0.745 521 L CB 0.225 42.263 42.059 -0.036 0.000 0.898 521 L HN 0.219 nan 8.230 nan 0.000 0.433 522 V N 2.626 122.529 119.914 -0.018 0.000 2.364 522 V HA 0.435 4.562 4.120 0.012 0.000 0.272 522 V C 0.169 176.292 176.094 0.049 0.000 1.036 522 V CA -0.602 61.703 62.300 0.009 0.000 0.880 522 V CB 0.698 32.536 31.823 0.024 0.000 0.991 522 V HN 0.288 nan 8.190 nan 0.000 0.460 523 R N 0.000 120.530 120.500 0.049 0.000 2.786 523 R HA 0.000 4.347 4.340 0.012 0.000 0.208 523 R CA 0.000 56.187 56.100 0.145 0.000 0.921 523 R CB 0.000 30.242 30.300 -0.097 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535