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 1g20_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.618 174.600 0.029 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 Q N 1.050 120.857 119.800 0.012 0.000 2.305 3 Q HA 0.616 4.956 4.340 -0.000 0.000 0.271 3 Q C -1.895 174.100 176.000 -0.008 0.000 1.046 3 Q CA -0.410 55.390 55.803 -0.004 0.000 0.798 3 Q CB 1.609 30.345 28.738 -0.004 0.000 1.286 3 Q HN 0.522 nan 8.270 nan 0.000 0.435 4 Q N 1.890 121.681 119.800 -0.015 0.000 2.303 4 Q HA 0.274 4.614 4.340 -0.000 0.000 0.257 4 Q C 0.411 176.402 176.000 -0.014 0.000 0.941 4 Q CA -0.252 55.543 55.803 -0.014 0.000 0.931 4 Q CB 1.857 30.585 28.738 -0.016 0.000 1.215 4 Q HN 0.626 nan 8.270 nan 0.000 0.437 5 V N 2.685 122.593 119.914 -0.010 0.000 2.546 5 V HA -0.249 3.870 4.120 -0.000 0.000 0.254 5 V C 0.414 176.501 176.094 -0.010 0.000 1.076 5 V CA 2.178 64.473 62.300 -0.009 0.000 1.087 5 V CB 0.112 31.932 31.823 -0.005 0.000 0.674 5 V HN 0.822 nan 8.190 nan 0.000 0.470 6 D N -0.872 119.521 120.400 -0.011 0.000 2.363 6 D HA 0.145 4.784 4.640 -0.000 0.000 0.214 6 D C 0.631 176.922 176.300 -0.016 0.000 1.093 6 D CA 0.133 54.127 54.000 -0.011 0.000 0.837 6 D CB 0.522 41.316 40.800 -0.009 0.000 0.948 6 D HN 0.290 nan 8.370 nan 0.000 0.507 7 K N 1.137 121.525 120.400 -0.021 0.000 3.306 7 K HA 0.277 4.597 4.320 -0.000 0.000 0.169 7 K C -0.977 175.600 176.600 -0.039 0.000 1.110 7 K CA -0.198 56.072 56.287 -0.029 0.000 0.783 7 K CB -0.134 32.348 32.500 -0.030 0.000 0.958 7 K HN -0.114 nan 8.250 nan 0.000 0.581 8 I N 2.592 123.140 120.570 -0.037 0.000 2.556 8 I HA 0.083 4.253 4.170 -0.000 0.000 0.284 8 I C 0.196 176.274 176.117 -0.065 0.000 1.114 8 I CA 0.093 61.366 61.300 -0.045 0.000 1.418 8 I CB 0.701 38.682 38.000 -0.032 0.000 1.394 8 I HN 0.151 nan 8.210 nan 0.000 0.552 9 K N 5.801 126.145 120.400 -0.094 0.000 2.182 9 K HA 0.680 5.000 4.320 -0.000 0.000 0.262 9 K C -0.214 176.293 176.600 -0.155 0.000 0.957 9 K CA -0.633 55.573 56.287 -0.136 0.000 0.842 9 K CB 1.922 34.312 32.500 -0.185 0.000 1.099 9 K HN 0.657 nan 8.250 nan 0.000 0.438 10 A N 1.374 124.117 122.820 -0.128 0.000 2.275 10 A HA 0.193 4.513 4.320 -0.000 0.000 0.282 10 A C 1.311 178.786 177.584 -0.181 0.000 1.275 10 A CA -0.053 51.922 52.037 -0.104 0.000 0.842 10 A CB -0.068 18.919 19.000 -0.022 0.000 1.280 10 A HN 0.817 nan 8.150 nan 0.000 0.508 11 S N -1.383 114.265 115.700 -0.087 0.000 2.393 11 S HA -0.235 4.235 4.470 -0.000 0.000 0.234 11 S C 0.558 175.150 174.600 -0.014 0.000 1.064 11 S CA 2.102 60.288 58.200 -0.023 0.000 1.088 11 S CB -0.639 62.711 63.200 0.251 0.000 0.939 11 S HN 0.767 nan 8.310 nan 0.000 0.448 12 Y N 4.538 124.811 120.300 -0.045 0.000 2.331 12 Y HA 0.493 5.043 4.550 -0.000 0.000 0.338 12 Y C -2.510 173.349 175.900 -0.070 0.000 0.992 12 Y CA -2.674 55.408 58.100 -0.029 0.000 1.121 12 Y CB 1.816 40.284 38.460 0.014 0.000 1.184 12 Y HN -0.041 nan 8.280 nan 0.000 0.469 13 P HA 0.084 nan 4.420 nan 0.000 0.266 13 P C 1.140 178.228 177.300 -0.354 0.000 1.561 13 P CA 0.204 62.919 63.100 -0.641 0.000 1.089 13 P CB 0.405 31.608 31.700 -0.828 0.000 1.534 14 L N -0.447 120.517 121.223 -0.430 0.000 2.021 14 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 14 L C 1.868 178.406 176.870 -0.553 0.000 1.074 14 L CA 2.028 56.524 54.840 -0.573 0.000 0.760 14 L CB -0.629 40.843 42.059 -0.978 0.000 0.889 14 L HN -0.013 nan 8.230 nan 0.000 0.433 15 F N -0.826 118.980 119.950 -0.239 0.000 2.771 15 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 15 F C 1.986 177.786 175.800 0.001 0.000 1.177 15 F CA -0.019 57.855 58.000 -0.212 0.000 1.450 15 F CB -0.049 38.834 39.000 -0.194 0.000 1.114 15 F HN 0.093 nan 8.300 nan 0.000 0.587 16 L N -0.817 120.468 121.223 0.103 0.000 2.567 16 L HA 0.063 4.403 4.340 -0.000 0.000 0.225 16 L C 0.108 177.034 176.870 0.094 0.000 1.119 16 L CA 0.006 54.908 54.840 0.103 0.000 0.871 16 L CB -0.446 41.644 42.059 0.051 0.000 1.036 16 L HN -0.087 nan 8.230 nan 0.000 0.459 17 D N -0.025 120.445 120.400 0.116 0.000 2.399 17 D HA -0.038 4.602 4.640 -0.000 0.000 0.241 17 D C 0.969 177.360 176.300 0.150 0.000 1.133 17 D CA 0.193 54.267 54.000 0.124 0.000 0.890 17 D CB 1.103 42.009 40.800 0.177 0.000 1.201 17 D HN -0.112 nan 8.370 nan 0.000 0.432 18 Q N 1.270 121.124 119.800 0.089 0.000 2.181 18 Q HA -0.179 4.161 4.340 -0.000 0.000 0.205 18 Q C 1.135 177.172 176.000 0.062 0.000 0.980 18 Q CA 1.707 57.552 55.803 0.070 0.000 0.862 18 Q CB 0.010 28.772 28.738 0.039 0.000 0.905 18 Q HN 0.581 nan 8.270 nan 0.000 0.429 19 D N -1.608 118.812 120.400 0.033 0.000 2.224 19 D HA -0.195 4.445 4.640 -0.000 0.000 0.205 19 D C 1.247 177.513 176.300 -0.058 0.000 0.965 19 D CA 1.182 55.152 54.000 -0.049 0.000 0.852 19 D CB -0.651 40.066 40.800 -0.139 0.000 0.947 19 D HN 0.448 nan 8.370 nan 0.000 0.494 20 Y N 0.579 120.934 120.300 0.093 0.000 2.397 20 Y HA 0.113 4.662 4.550 -0.000 0.000 0.292 20 Y C 2.593 178.558 175.900 0.108 0.000 1.115 20 Y CA 0.655 58.839 58.100 0.140 0.000 1.208 20 Y CB 0.113 38.736 38.460 0.271 0.000 1.046 20 Y HN -0.114 nan 8.280 nan 0.000 0.552 21 K N 0.229 120.778 120.400 0.248 0.000 2.211 21 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 21 K C 1.074 177.733 176.600 0.100 0.000 1.050 21 K CA 1.674 58.056 56.287 0.157 0.000 0.945 21 K CB 0.019 32.595 32.500 0.127 0.000 0.732 21 K HN 0.192 nan 8.250 nan 0.000 0.451 22 D N 0.318 120.766 120.400 0.079 0.000 2.271 22 D HA -0.093 4.547 4.640 -0.000 0.000 0.206 22 D C 1.708 178.033 176.300 0.042 0.000 0.967 22 D CA 0.584 54.611 54.000 0.045 0.000 0.867 22 D CB 0.157 40.973 40.800 0.026 0.000 0.960 22 D HN 0.323 nan 8.370 nan 0.000 0.509 23 M N 0.146 119.781 119.600 0.058 0.000 2.200 23 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 23 M C 1.493 177.838 176.300 0.076 0.000 1.066 23 M CA 0.950 56.286 55.300 0.060 0.000 1.127 23 M CB 0.133 32.769 32.600 0.060 0.000 1.379 23 M HN -0.071 nan 8.290 nan 0.000 0.420 24 L N 0.967 122.244 121.223 0.090 0.000 2.141 24 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 24 L C 2.783 179.679 176.870 0.042 0.000 1.094 24 L CA 1.955 56.837 54.840 0.069 0.000 0.763 24 L CB -1.593 40.510 42.059 0.074 0.000 0.908 24 L HN 0.395 nan 8.230 nan 0.000 0.437 25 A N -1.349 121.491 122.820 0.034 0.000 1.968 25 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 25 A C 2.356 179.927 177.584 -0.022 0.000 1.169 25 A CA 1.224 53.266 52.037 0.009 0.000 0.638 25 A CB -0.309 18.698 19.000 0.011 0.000 0.812 25 A HN 0.323 nan 8.150 nan 0.000 0.446 26 K N -0.517 119.874 120.400 -0.015 0.000 2.288 26 K HA -0.061 4.259 4.320 -0.000 0.000 0.201 26 K C 2.056 178.597 176.600 -0.098 0.000 1.048 26 K CA 1.191 57.442 56.287 -0.059 0.000 0.956 26 K CB -0.022 32.470 32.500 -0.012 0.000 0.746 26 K HN 0.503 nan 8.250 nan 0.000 0.461 27 K N 1.167 121.574 120.400 0.013 0.000 2.116 27 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 27 K C 2.137 178.752 176.600 0.024 0.000 1.052 27 K CA 0.838 57.191 56.287 0.109 0.000 0.952 27 K CB 0.130 32.710 32.500 0.133 0.000 0.729 27 K HN -0.021 nan 8.250 nan 0.000 0.446 28 R N 0.496 120.984 120.500 -0.020 0.000 2.052 28 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 28 R C 1.370 177.618 176.300 -0.087 0.000 1.145 28 R CA 1.842 57.925 56.100 -0.028 0.000 0.952 28 R CB -0.243 30.051 30.300 -0.010 0.000 0.847 28 R HN 0.136 nan 8.270 nan 0.000 0.431 29 D N -0.203 120.128 120.400 -0.115 0.000 2.144 29 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 29 D C 1.712 177.863 176.300 -0.248 0.000 0.984 29 D CA 1.586 55.501 54.000 -0.141 0.000 0.834 29 D CB -0.292 40.438 40.800 -0.117 0.000 0.955 29 D HN 0.556 nan 8.370 nan 0.000 0.465 30 G N -0.307 108.232 108.800 -0.436 0.000 2.425 30 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.213 30 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.213 30 G C 0.994 175.329 174.900 -0.941 0.000 1.201 30 G CA 0.192 44.761 45.100 -0.885 0.000 0.799 30 G HN 0.279 nan 8.290 nan 0.000 0.534 31 F N -0.200 119.743 119.950 -0.012 0.000 2.746 31 F HA 0.417 4.944 4.527 -0.000 0.000 0.320 31 F C 2.050 177.839 175.800 -0.017 0.000 1.097 31 F CA -0.278 57.714 58.000 -0.014 0.000 1.195 31 F CB 0.756 39.749 39.000 -0.011 0.000 1.056 31 F HN 0.065 nan 8.300 nan 0.000 0.562 32 E N 0.908 121.151 120.200 0.072 0.000 2.318 32 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 32 E C 0.165 176.770 176.600 0.008 0.000 0.998 32 E CA 0.283 56.713 56.400 0.050 0.000 0.859 32 E CB -0.023 29.698 29.700 0.036 0.000 0.812 32 E HN 0.336 nan 8.360 nan 0.000 0.492 33 E N 1.300 121.483 120.200 -0.028 0.000 2.360 33 E HA -0.230 4.120 4.350 -0.000 0.000 0.238 33 E C -0.171 176.371 176.600 -0.097 0.000 1.186 33 E CA 0.346 56.705 56.400 -0.070 0.000 0.719 33 E CB -1.111 28.547 29.700 -0.069 0.000 1.236 33 E HN 0.136 nan 8.360 nan 0.000 0.386 34 K N 0.737 121.109 120.400 -0.046 0.000 2.382 34 K HA 0.087 4.407 4.320 -0.000 0.000 0.275 34 K C -0.175 176.416 176.600 -0.015 0.000 1.009 34 K CA -0.136 56.154 56.287 0.005 0.000 0.970 34 K CB 0.383 32.902 32.500 0.032 0.000 0.934 34 K HN -0.008 nan 8.250 nan 0.000 0.479 35 Y N 3.913 124.214 120.300 0.002 0.000 2.550 35 Y HA 0.002 4.552 4.550 -0.000 0.000 0.343 35 Y C -1.433 174.469 175.900 0.003 0.000 1.245 35 Y CA -1.219 56.883 58.100 0.003 0.000 1.462 35 Y CB -0.017 38.448 38.460 0.009 0.000 1.340 35 Y HN 0.578 nan 8.280 nan 0.000 0.604 36 P HA -0.074 nan 4.420 nan 0.000 0.269 36 P C -0.096 177.262 177.300 0.097 0.000 1.209 36 P CA -0.106 63.046 63.100 0.086 0.000 0.776 36 P CB 1.055 32.793 31.700 0.063 0.000 0.876 37 Q N 2.301 122.142 119.800 0.067 0.000 2.152 37 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 37 Q C 1.302 177.341 176.000 0.065 0.000 0.985 37 Q CA 2.167 58.008 55.803 0.064 0.000 0.863 37 Q CB -0.656 28.111 28.738 0.048 0.000 0.904 37 Q HN 0.455 nan 8.270 nan 0.000 0.422 38 D N -0.733 119.701 120.400 0.057 0.000 2.263 38 D HA -0.161 4.479 4.640 -0.000 0.000 0.208 38 D C 1.448 177.780 176.300 0.054 0.000 0.971 38 D CA 1.029 55.059 54.000 0.050 0.000 0.867 38 D CB -0.003 40.820 40.800 0.038 0.000 0.929 38 D HN 0.135 nan 8.370 nan 0.000 0.492 39 K N 1.085 121.525 120.400 0.067 0.000 2.262 39 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 39 K C 2.020 178.641 176.600 0.035 0.000 1.049 39 K CA 0.203 56.522 56.287 0.053 0.000 0.979 39 K CB -0.149 32.412 32.500 0.101 0.000 0.773 39 K HN 0.097 nan 8.250 nan 0.000 0.474 40 I N 0.759 121.367 120.570 0.063 0.000 2.353 40 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 40 I C 1.099 177.289 176.117 0.121 0.000 1.119 40 I CA 1.124 62.464 61.300 0.067 0.000 1.417 40 I CB -0.133 37.912 38.000 0.075 0.000 1.078 40 I HN 0.121 nan 8.210 nan 0.000 0.421 41 D N 0.364 120.834 120.400 0.117 0.000 2.234 41 D HA -0.162 4.478 4.640 -0.000 0.000 0.205 41 D C 1.983 178.374 176.300 0.151 0.000 0.962 41 D CA 0.805 54.898 54.000 0.155 0.000 0.855 41 D CB -0.018 40.842 40.800 0.099 0.000 0.951 41 D HN 0.401 nan 8.370 nan 0.000 0.500 42 E N 0.551 120.806 120.200 0.091 0.000 2.072 42 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 42 E C 1.931 178.580 176.600 0.080 0.000 0.982 42 E CA 0.570 57.006 56.400 0.059 0.000 0.803 42 E CB 0.328 30.037 29.700 0.015 0.000 0.755 42 E HN -0.022 nan 8.360 nan 0.000 0.453 43 V N 0.992 120.957 119.914 0.086 0.000 2.548 43 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 43 V C 2.030 178.212 176.094 0.147 0.000 1.055 43 V CA 1.469 63.853 62.300 0.141 0.000 1.065 43 V CB -0.604 31.260 31.823 0.067 0.000 0.681 43 V HN 0.330 nan 8.190 nan 0.000 0.462 44 F N 0.922 120.882 119.950 0.016 0.000 2.095 44 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 44 F C 2.556 178.254 175.800 -0.170 0.000 1.104 44 F CA 1.929 59.902 58.000 -0.045 0.000 1.232 44 F CB -0.361 38.665 39.000 0.043 0.000 0.987 44 F HN 0.058 nan 8.300 nan 0.000 0.475 45 Q N -0.568 119.142 119.800 -0.150 0.000 2.135 45 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 45 Q C 2.048 177.851 176.000 -0.328 0.000 0.981 45 Q CA 2.061 57.702 55.803 -0.271 0.000 0.856 45 Q CB -1.110 27.594 28.738 -0.055 0.000 0.902 45 Q HN 0.719 nan 8.270 nan 0.000 0.425 46 W N 1.257 122.342 121.300 -0.359 0.000 2.381 46 W HA -0.145 4.515 4.660 -0.000 0.000 0.301 46 W C 2.099 178.315 176.519 -0.506 0.000 1.205 46 W CA 2.585 59.745 57.345 -0.308 0.000 1.285 46 W CB -0.608 28.746 29.460 -0.176 0.000 1.133 46 W HN 0.206 nan 8.180 nan 0.000 0.521 47 T N -3.032 110.948 114.554 -0.956 0.000 3.155 47 T HA -0.084 4.266 4.350 -0.000 0.000 0.264 47 T C 1.427 175.352 174.700 -1.293 0.000 1.160 47 T CA 1.653 62.739 62.100 -1.690 0.000 1.075 47 T CB -0.504 67.615 68.868 -1.248 0.000 0.921 47 T HN 0.067 nan 8.240 nan 0.000 0.533 48 T N 2.087 115.946 114.554 -1.158 0.000 3.039 48 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 48 T C 1.206 175.507 174.700 -0.666 0.000 1.052 48 T CA 0.860 62.206 62.100 -1.256 0.000 1.125 48 T CB -0.106 67.918 68.868 -1.405 0.000 0.908 48 T HN 0.813 nan 8.240 nan 0.000 0.473 49 T N 0.392 114.641 114.554 -0.508 0.000 2.748 49 T HA 0.212 4.562 4.350 -0.000 0.000 0.304 49 T C 1.047 175.634 174.700 -0.188 0.000 1.041 49 T CA -0.301 61.628 62.100 -0.285 0.000 1.033 49 T CB 0.786 69.536 68.868 -0.198 0.000 0.995 49 T HN 0.060 nan 8.240 nan 0.000 0.536 50 K N -0.149 120.185 120.400 -0.110 0.000 2.366 50 K HA -0.020 4.300 4.320 -0.000 0.000 0.198 50 K C 2.296 178.863 176.600 -0.054 0.000 1.044 50 K CA 0.784 57.028 56.287 -0.071 0.000 0.973 50 K CB -0.006 32.465 32.500 -0.049 0.000 0.767 50 K HN 0.811 nan 8.250 nan 0.000 0.475 51 E N 0.285 120.458 120.200 -0.046 0.000 2.072 51 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 51 E C 1.721 178.296 176.600 -0.041 0.000 0.982 51 E CA 0.879 57.282 56.400 0.006 0.000 0.803 51 E CB -0.049 29.708 29.700 0.094 0.000 0.755 51 E HN 0.318 nan 8.360 nan 0.000 0.453 52 Y N 1.461 121.535 120.300 -0.376 0.000 2.293 52 Y HA -0.173 4.377 4.550 -0.000 0.000 0.291 52 Y C 2.375 178.112 175.900 -0.272 0.000 1.137 52 Y CA 2.035 59.784 58.100 -0.584 0.000 1.202 52 Y CB -0.109 37.727 38.460 -1.041 0.000 0.990 52 Y HN 0.101 nan 8.280 nan 0.000 0.537 53 Q N 0.130 119.894 119.800 -0.061 0.000 2.096 53 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 53 Q C 1.911 177.961 176.000 0.082 0.000 0.982 53 Q CA 1.921 57.746 55.803 0.035 0.000 0.850 53 Q CB -0.042 28.702 28.738 0.009 0.000 0.901 53 Q HN 0.488 nan 8.270 nan 0.000 0.422 54 E N 0.202 120.400 120.200 -0.003 0.000 2.077 54 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 54 E C 2.079 178.695 176.600 0.027 0.000 0.989 54 E CA 0.731 57.143 56.400 0.020 0.000 0.800 54 E CB -0.147 29.555 29.700 0.002 0.000 0.746 54 E HN 0.309 nan 8.360 nan 0.000 0.452 55 L N 2.147 123.333 121.223 -0.062 0.000 2.017 55 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 55 L C 2.163 178.960 176.870 -0.121 0.000 1.073 55 L CA 1.426 56.209 54.840 -0.094 0.000 0.745 55 L CB -1.334 40.625 42.059 -0.166 0.000 0.894 55 L HN 0.135 nan 8.230 nan 0.000 0.432 56 N N -0.019 118.539 118.700 -0.237 0.000 2.036 56 N HA -0.258 4.482 4.740 -0.000 0.000 0.195 56 N C 1.777 177.294 175.510 0.011 0.000 1.037 56 N CA 1.713 54.644 53.050 -0.199 0.000 0.855 56 N CB -0.336 38.011 38.487 -0.235 0.000 1.033 56 N HN 0.283 nan 8.380 nan 0.000 0.423 57 F N 0.792 120.772 119.950 0.049 0.000 2.748 57 F HA 0.121 4.648 4.527 -0.000 0.000 0.299 57 F C 2.143 177.960 175.800 0.029 0.000 1.154 57 F CA 0.393 58.429 58.000 0.059 0.000 1.446 57 F CB 0.055 39.031 39.000 -0.040 0.000 1.112 57 F HN 0.152 nan 8.300 nan 0.000 0.584 58 Q N -0.495 119.393 119.800 0.146 0.000 2.360 58 Q HA 0.079 4.418 4.340 -0.000 0.000 0.202 58 Q C 0.539 176.573 176.000 0.057 0.000 0.915 58 Q CA -0.094 55.760 55.803 0.085 0.000 0.943 58 Q CB 0.265 29.035 28.738 0.053 0.000 1.064 58 Q HN 0.222 nan 8.270 nan 0.000 0.511 59 R N 0.902 121.438 120.500 0.059 0.000 2.679 59 R HA -0.056 4.284 4.340 -0.000 0.000 0.268 59 R C 0.850 177.176 176.300 0.043 0.000 1.044 59 R CA 0.740 56.858 56.100 0.031 0.000 1.105 59 R CB 0.383 30.690 30.300 0.012 0.000 0.989 59 R HN 0.365 nan 8.270 nan 0.000 0.447 60 E N 1.196 121.411 120.200 0.025 0.000 2.633 60 E HA 0.130 4.479 4.350 -0.000 0.000 0.222 60 E C 0.487 177.099 176.600 0.021 0.000 0.899 60 E CA 0.168 56.585 56.400 0.029 0.000 1.292 60 E CB 0.696 30.412 29.700 0.027 0.000 1.257 60 E HN 0.505 nan 8.360 nan 0.000 0.626 61 A N 0.782 123.606 122.820 0.006 0.000 2.141 61 A HA 0.351 4.671 4.320 -0.000 0.000 0.201 61 A C 0.480 178.055 177.584 -0.015 0.000 1.344 61 A CA -0.181 51.855 52.037 -0.001 0.000 0.971 61 A CB 0.421 19.416 19.000 -0.007 0.000 1.035 61 A HN 0.182 nan 8.150 nan 0.000 0.480 62 L N 0.760 121.964 121.223 -0.033 0.000 2.325 62 L HA 0.672 5.012 4.340 -0.000 0.000 0.279 62 L C -0.898 175.929 176.870 -0.071 0.000 1.054 62 L CA 0.442 55.244 54.840 -0.064 0.000 0.804 62 L CB 1.893 43.893 42.059 -0.098 0.000 1.200 62 L HN 0.014 nan 8.230 nan 0.000 0.436 63 T N 4.404 118.914 114.554 -0.073 0.000 2.840 63 T HA 0.588 4.937 4.350 -0.000 0.000 0.287 63 T C -1.050 173.580 174.700 -0.117 0.000 0.991 63 T CA -0.352 61.714 62.100 -0.058 0.000 0.964 63 T CB 1.284 70.175 68.868 0.038 0.000 0.954 63 T HN 0.358 nan 8.240 nan 0.000 0.438 64 V N 4.758 124.570 119.914 -0.170 0.000 2.409 64 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 64 V C -0.369 175.654 176.094 -0.118 0.000 1.020 64 V CA -1.165 61.007 62.300 -0.214 0.000 0.848 64 V CB 1.195 32.768 31.823 -0.417 0.000 0.990 64 V HN 0.994 nan 8.190 nan 0.000 0.430 65 N N 3.230 121.853 118.700 -0.128 0.000 2.525 65 N HA -0.119 4.621 4.740 -0.000 0.000 0.283 65 N C -2.721 172.725 175.510 -0.107 0.000 1.259 65 N CA 0.192 53.165 53.050 -0.128 0.000 0.689 65 N CB -0.942 37.519 38.487 -0.044 0.000 0.899 65 N HN 0.430 nan 8.380 nan 0.000 0.541 66 P HA 0.324 nan 4.420 nan 0.000 0.274 66 P C -0.249 177.052 177.300 0.001 0.000 1.246 66 P CA -0.279 62.858 63.100 0.062 0.000 0.795 66 P CB 0.722 32.393 31.700 -0.048 0.000 1.006 67 A N 1.441 124.386 122.820 0.209 0.000 2.956 67 A HA 0.437 4.757 4.320 -0.000 0.000 0.294 67 A C -0.173 177.522 177.584 0.186 0.000 0.993 67 A CA -0.151 52.010 52.037 0.206 0.000 1.032 67 A CB -0.622 18.529 19.000 0.252 0.000 1.129 67 A HN 0.568 nan 8.150 nan 0.000 0.505 68 K N -1.760 118.660 120.400 0.035 0.000 2.642 68 K HA 0.798 5.118 4.320 -0.000 0.000 0.290 68 K C -0.723 175.834 176.600 -0.072 0.000 1.006 68 K CA -0.464 55.846 56.287 0.038 0.000 0.869 68 K CB 0.976 33.452 32.500 -0.039 0.000 1.499 68 K HN 0.560 nan 8.250 nan 0.000 0.403 69 A N 0.263 123.038 122.820 -0.075 0.000 2.443 69 A HA 0.791 5.111 4.320 -0.000 0.000 0.278 69 A C -0.331 177.267 177.584 0.024 0.000 1.252 69 A CA -0.481 51.482 52.037 -0.123 0.000 0.816 69 A CB 0.636 19.472 19.000 -0.274 0.000 1.369 69 A HN 1.147 nan 8.150 nan 0.000 0.446 70 C N -1.318 117.978 119.300 -0.007 0.000 2.422 70 C HA 0.490 4.950 4.460 -0.000 0.000 0.364 70 C C 1.518 176.516 174.990 0.013 0.000 1.251 70 C CA -0.306 58.724 59.018 0.019 0.000 2.441 70 C CB 0.181 27.948 27.740 0.046 0.000 2.393 70 C HN 0.942 nan 8.230 nan 0.000 0.606 71 Q N 1.716 121.506 119.800 -0.015 0.000 2.047 71 Q HA -0.171 4.169 4.340 -0.000 0.000 0.211 71 Q C -0.242 175.736 176.000 -0.037 0.000 1.005 71 Q CA 2.732 58.520 55.803 -0.025 0.000 0.866 71 Q CB -1.348 27.364 28.738 -0.044 0.000 0.938 71 Q HN 0.744 nan 8.270 nan 0.000 0.414 72 P HA -0.203 nan 4.420 nan 0.000 0.217 72 P C 1.497 178.521 177.300 -0.460 0.000 1.148 72 P CA 1.077 64.035 63.100 -0.236 0.000 0.828 72 P CB -0.147 31.450 31.700 -0.173 0.000 0.783 73 L N 0.342 121.267 121.223 -0.497 0.000 2.012 73 L HA -0.090 4.249 4.340 -0.000 0.000 0.210 73 L C 2.574 179.621 176.870 0.294 0.000 1.073 73 L CA 2.581 57.264 54.840 -0.262 0.000 0.748 73 L CB -1.530 40.480 42.059 -0.082 0.000 0.891 73 L HN -0.027 nan 8.230 nan 0.000 0.431 74 G N -1.562 107.451 108.800 0.354 0.000 2.422 74 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 74 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 74 G C 1.575 176.738 174.900 0.438 0.000 1.140 74 G CA 0.654 46.168 45.100 0.690 0.000 0.775 74 G HN 0.621 nan 8.290 nan 0.000 0.545 75 A N 0.160 123.081 122.820 0.168 0.000 1.930 75 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 75 A C 2.572 180.176 177.584 0.033 0.000 1.175 75 A CA 1.624 53.681 52.037 0.034 0.000 0.627 75 A CB -0.471 18.530 19.000 0.002 0.000 0.815 75 A HN 0.224 nan 8.150 nan 0.000 0.443 76 V N -0.352 119.611 119.914 0.083 0.000 2.307 76 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 76 V C 2.472 178.655 176.094 0.148 0.000 1.045 76 V CA 1.891 64.272 62.300 0.135 0.000 1.024 76 V CB -0.738 31.201 31.823 0.194 0.000 0.651 76 V HN 0.567 nan 8.190 nan 0.000 0.449 77 L N -0.072 121.295 121.223 0.240 0.000 2.046 77 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 77 L C 2.494 179.404 176.870 0.066 0.000 1.077 77 L CA 2.239 57.127 54.840 0.080 0.000 0.747 77 L CB -0.916 41.213 42.059 0.117 0.000 0.896 77 L HN 0.490 nan 8.230 nan 0.000 0.432 78 C N -0.570 118.676 119.300 -0.090 0.000 2.413 78 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 78 C C 3.014 177.971 174.990 -0.056 0.000 1.228 78 C CA 1.090 59.807 59.018 -0.501 0.000 1.731 78 C CB -1.384 25.685 27.740 -1.117 0.000 2.042 78 C HN 0.682 nan 8.230 nan 0.000 0.468 79 A N 0.085 122.912 122.820 0.012 0.000 1.940 79 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 79 A C 2.154 179.848 177.584 0.183 0.000 1.176 79 A CA 1.732 53.853 52.037 0.139 0.000 0.631 79 A CB -0.762 18.273 19.000 0.058 0.000 0.814 79 A HN 0.712 nan 8.150 nan 0.000 0.446 80 L N -0.625 120.643 121.223 0.075 0.000 2.450 80 L HA -0.100 4.240 4.340 -0.000 0.000 0.224 80 L C 2.349 179.196 176.870 -0.039 0.000 1.149 80 L CA 0.619 55.473 54.840 0.024 0.000 0.816 80 L CB -0.373 41.647 42.059 -0.065 0.000 0.932 80 L HN 0.510 nan 8.230 nan 0.000 0.449 81 G N -0.954 107.802 108.800 -0.072 0.000 2.920 81 G HA2 0.019 3.979 3.960 -0.000 0.000 0.208 81 G HA3 0.019 3.979 3.960 -0.000 0.000 0.208 81 G C 0.164 174.789 174.900 -0.459 0.000 1.159 81 G CA -0.220 44.707 45.100 -0.289 0.000 0.784 81 G HN 0.087 nan 8.290 nan 0.000 0.535 82 F N -0.175 119.737 119.950 -0.064 0.000 2.492 82 F HA 0.368 4.895 4.527 -0.000 0.000 0.327 82 F C 0.519 176.268 175.800 -0.086 0.000 1.079 82 F CA -1.420 56.536 58.000 -0.073 0.000 0.967 82 F CB 1.569 40.521 39.000 -0.079 0.000 1.169 82 F HN -0.076 nan 8.300 nan 0.000 0.472 83 E N 3.411 123.648 120.200 0.061 0.000 2.585 83 E HA -0.050 4.300 4.350 -0.000 0.000 0.252 83 E C -0.266 176.275 176.600 -0.099 0.000 0.981 83 E CA 0.165 56.548 56.400 -0.027 0.000 0.943 83 E CB 0.124 29.794 29.700 -0.050 0.000 0.923 83 E HN 0.568 nan 8.360 nan 0.000 0.486 84 K N 2.082 122.369 120.400 -0.189 0.000 3.278 84 K HA -0.206 4.114 4.320 -0.000 0.000 0.270 84 K C -0.553 175.729 176.600 -0.531 0.000 0.955 84 K CA 1.022 56.940 56.287 -0.615 0.000 0.723 84 K CB -1.900 30.269 32.500 -0.552 0.000 1.382 84 K HN 0.668 nan 8.250 nan 0.000 0.461 85 T N -2.072 112.374 114.554 -0.179 0.000 2.856 85 T HA 0.625 4.975 4.350 -0.000 0.000 0.283 85 T C -0.320 174.495 174.700 0.191 0.000 1.008 85 T CA -1.184 60.904 62.100 -0.020 0.000 0.997 85 T CB 1.785 70.666 68.868 0.022 0.000 0.992 85 T HN 0.199 nan 8.240 nan 0.000 0.454 86 M N 4.081 123.814 119.600 0.221 0.000 2.088 86 M HA 0.523 5.003 4.480 -0.000 0.000 0.346 86 M C -2.823 173.613 176.300 0.226 0.000 1.111 86 M CA -2.459 53.018 55.300 0.294 0.000 1.017 86 M CB 1.122 33.929 32.600 0.346 0.000 1.568 86 M HN 0.308 nan 8.290 nan 0.000 0.445 87 P HA 0.138 nan 4.420 nan 0.000 0.276 87 P C -2.053 175.399 177.300 0.255 0.000 1.230 87 P CA 0.250 63.464 63.100 0.189 0.000 0.776 87 P CB 0.204 32.001 31.700 0.163 0.000 0.888 88 Y N 3.269 123.636 120.300 0.113 0.000 2.338 88 Y HA 0.483 5.033 4.550 -0.000 0.000 0.333 88 Y C -1.177 174.808 175.900 0.143 0.000 0.968 88 Y CA -0.907 57.272 58.100 0.131 0.000 1.123 88 Y CB 1.418 39.952 38.460 0.124 0.000 1.165 88 Y HN 0.014 nan 8.280 nan 0.000 0.452 89 V N 5.960 125.969 119.914 0.157 0.000 2.334 89 V HA 0.140 4.260 4.120 -0.000 0.000 0.281 89 V C -0.523 175.670 176.094 0.166 0.000 1.016 89 V CA -0.736 61.701 62.300 0.229 0.000 0.832 89 V CB 0.682 32.687 31.823 0.303 0.000 0.999 89 V HN 0.795 nan 8.190 nan 0.000 0.439 90 H N 4.033 123.233 119.070 0.216 0.000 3.017 90 H HA 0.590 5.146 4.556 -0.000 0.000 0.276 90 H C 0.503 175.910 175.328 0.132 0.000 1.062 90 H CA 1.531 57.700 56.048 0.202 0.000 1.486 90 H CB 0.219 30.128 29.762 0.244 0.000 1.507 90 H HN 1.006 nan 8.280 nan 0.000 0.508 91 G N 2.338 110.996 108.800 -0.237 0.000 2.334 91 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.249 91 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.249 91 G C -0.832 174.009 174.900 -0.099 0.000 1.327 91 G CA -0.523 44.496 45.100 -0.136 0.000 0.979 91 G HN 0.899 nan 8.290 nan 0.000 0.471 92 S N 0.018 115.691 115.700 -0.045 0.000 2.562 92 S HA 0.333 4.803 4.470 -0.000 0.000 0.281 92 S C 1.467 176.016 174.600 -0.084 0.000 1.333 92 S CA 0.803 58.968 58.200 -0.057 0.000 1.052 92 S CB 1.411 64.590 63.200 -0.035 0.000 0.884 92 S HN 1.128 nan 8.310 nan 0.000 0.506 93 Q N 2.879 122.618 119.800 -0.102 0.000 2.224 93 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 93 Q C 1.927 177.814 176.000 -0.189 0.000 0.970 93 Q CA 1.170 56.897 55.803 -0.128 0.000 0.865 93 Q CB -0.978 27.694 28.738 -0.110 0.000 0.922 93 Q HN 0.855 nan 8.270 nan 0.000 0.445 94 G N 1.427 110.110 108.800 -0.194 0.000 2.469 94 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 94 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 94 G C 1.441 176.122 174.900 -0.364 0.000 1.150 94 G CA 1.113 46.039 45.100 -0.290 0.000 0.763 94 G HN 0.506 nan 8.290 nan 0.000 0.561 95 C N -0.088 119.013 119.300 -0.331 0.000 2.393 95 C HA -0.085 4.375 4.460 -0.000 0.000 0.276 95 C C 3.061 177.254 174.990 -1.328 0.000 1.215 95 C CA 0.909 59.507 59.018 -0.701 0.000 1.743 95 C CB -1.189 26.280 27.740 -0.452 0.000 2.044 95 C HN 0.313 nan 8.230 nan 0.000 0.464 96 V N 1.693 121.184 119.914 -0.705 0.000 2.255 96 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 96 V C 2.775 178.753 176.094 -0.194 0.000 1.051 96 V CA 2.358 64.477 62.300 -0.301 0.000 1.018 96 V CB -1.515 30.288 31.823 -0.033 0.000 0.641 96 V HN 0.631 nan 8.190 nan 0.000 0.445 97 A N -1.207 121.476 122.820 -0.229 0.000 1.892 97 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 97 A C 2.132 179.665 177.584 -0.086 0.000 1.188 97 A CA 2.268 54.203 52.037 -0.171 0.000 0.631 97 A CB -0.903 17.924 19.000 -0.287 0.000 0.822 97 A HN 0.643 nan 8.150 nan 0.000 0.447 98 Y N -1.855 118.322 120.300 -0.204 0.000 2.242 98 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 98 Y C 2.280 178.190 175.900 0.017 0.000 1.137 98 Y CA 0.790 58.808 58.100 -0.137 0.000 1.181 98 Y CB -0.234 38.086 38.460 -0.233 0.000 0.989 98 Y HN 0.347 nan 8.280 nan 0.000 0.527 99 F N 0.061 120.133 119.950 0.203 0.000 2.134 99 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 99 F C 2.285 178.245 175.800 0.267 0.000 1.097 99 F CA 1.005 59.105 58.000 0.167 0.000 1.264 99 F CB -1.049 38.068 39.000 0.195 0.000 1.001 99 F HN -0.052 nan 8.300 nan 0.000 0.479 100 R N -0.038 120.722 120.500 0.434 0.000 2.073 100 R HA -0.101 4.238 4.340 -0.000 0.000 0.234 100 R C 2.316 178.816 176.300 0.333 0.000 1.134 100 R CA 1.633 57.955 56.100 0.370 0.000 0.952 100 R CB -1.002 29.431 30.300 0.221 0.000 0.850 100 R HN 0.209 nan 8.270 nan 0.000 0.433 101 S N 0.370 116.224 115.700 0.256 0.000 2.382 101 S HA -0.170 4.300 4.470 -0.000 0.000 0.228 101 S C 1.639 176.378 174.600 0.233 0.000 1.027 101 S CA 1.116 59.436 58.200 0.199 0.000 0.991 101 S CB -0.350 62.951 63.200 0.169 0.000 0.823 101 S HN 0.325 nan 8.310 nan 0.000 0.469 102 Y N 0.784 121.180 120.300 0.159 0.000 2.163 102 Y HA -0.051 4.499 4.550 -0.000 0.000 0.288 102 Y C 1.799 177.909 175.900 0.349 0.000 1.136 102 Y CA 1.063 59.264 58.100 0.168 0.000 1.147 102 Y CB -0.357 38.172 38.460 0.115 0.000 0.987 102 Y HN 0.189 nan 8.280 nan 0.000 0.509 103 F N 0.217 120.499 119.950 0.552 0.000 2.367 103 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 103 F C 2.093 178.150 175.800 0.429 0.000 1.094 103 F CA 0.778 59.115 58.000 0.561 0.000 1.409 103 F CB -0.784 38.554 39.000 0.562 0.000 1.064 103 F HN 0.111 nan 8.300 nan 0.000 0.528 104 N N 0.358 119.329 118.700 0.451 0.000 2.142 104 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 104 N C 1.922 177.526 175.510 0.157 0.000 1.023 104 N CA 0.991 54.193 53.050 0.255 0.000 0.852 104 N CB -0.381 38.193 38.487 0.145 0.000 0.998 104 N HN 0.283 nan 8.380 nan 0.000 0.424 105 R N -0.390 120.164 120.500 0.090 0.000 2.189 105 R HA -0.094 4.246 4.340 -0.000 0.000 0.223 105 R C 1.752 178.135 176.300 0.139 0.000 1.092 105 R CA 0.852 56.917 56.100 -0.058 0.000 0.989 105 R CB -0.184 29.806 30.300 -0.515 0.000 0.876 105 R HN 0.427 nan 8.270 nan 0.000 0.457 106 H N -0.387 118.778 119.070 0.158 0.000 2.344 106 H HA 0.043 4.599 4.556 -0.000 0.000 0.307 106 H C 1.221 176.384 175.328 -0.276 0.000 1.057 106 H CA 1.279 57.303 56.048 -0.040 0.000 1.373 106 H CB -0.059 29.634 29.762 -0.115 0.000 1.421 106 H HN 0.020 nan 8.280 nan 0.000 0.532 107 F N 0.481 120.323 119.950 -0.180 0.000 2.710 107 F HA 0.222 4.749 4.527 -0.000 0.000 0.298 107 F C 0.623 176.061 175.800 -0.603 0.000 1.137 107 F CA 0.313 57.922 58.000 -0.650 0.000 1.444 107 F CB 0.160 39.016 39.000 -0.241 0.000 1.111 107 F HN -0.020 nan 8.300 nan 0.000 0.580 108 R N 1.406 121.847 120.500 -0.098 0.000 3.264 108 R HA -0.171 4.169 4.340 -0.000 0.000 0.251 108 R C -0.927 175.410 176.300 0.062 0.000 0.971 108 R CA 0.457 56.547 56.100 -0.017 0.000 0.658 108 R CB -1.862 28.426 30.300 -0.020 0.000 1.095 108 R HN 0.290 nan 8.270 nan 0.000 0.443 109 E N -0.426 119.827 120.200 0.088 0.000 2.449 109 E HA 0.420 4.770 4.350 -0.000 0.000 0.278 109 E C -2.623 174.036 176.600 0.098 0.000 0.992 109 E CA -1.951 54.504 56.400 0.093 0.000 0.807 109 E CB 1.935 31.676 29.700 0.069 0.000 1.350 109 E HN -0.081 nan 8.360 nan 0.000 0.462 110 P HA 0.201 nan 4.420 nan 0.000 0.285 110 P C -0.427 176.937 177.300 0.107 0.000 1.259 110 P CA -0.451 62.707 63.100 0.097 0.000 0.794 110 P CB 0.928 32.703 31.700 0.125 0.000 0.940 111 V N -0.020 119.964 119.914 0.116 0.000 2.487 111 V HA 0.549 4.669 4.120 -0.000 0.000 0.298 111 V C -0.233 175.923 176.094 0.103 0.000 1.028 111 V CA -0.630 61.739 62.300 0.115 0.000 0.860 111 V CB 1.532 33.483 31.823 0.213 0.000 0.991 111 V HN 0.403 nan 8.190 nan 0.000 0.427 112 S N 4.145 119.882 115.700 0.062 0.000 2.457 112 S HA 0.747 5.217 4.470 -0.000 0.000 0.289 112 S C -0.423 174.206 174.600 0.049 0.000 1.163 112 S CA -0.431 57.776 58.200 0.012 0.000 1.078 112 S CB 0.916 64.073 63.200 -0.071 0.000 0.987 112 S HN 1.277 nan 8.310 nan 0.000 0.482 113 C N 3.901 123.221 119.300 0.033 0.000 3.181 113 C HA 0.719 5.179 4.460 -0.000 0.000 0.362 113 C C -0.975 174.030 174.990 0.025 0.000 1.125 113 C CA -0.493 58.578 59.018 0.087 0.000 1.265 113 C CB 0.189 28.044 27.740 0.193 0.000 1.632 113 C HN 0.861 nan 8.230 nan 0.000 0.525 114 V N 2.465 122.391 119.914 0.021 0.000 3.046 114 V HA 0.984 5.104 4.120 -0.000 0.000 0.316 114 V C -0.244 175.757 176.094 -0.156 0.000 1.104 114 V CA -0.226 62.039 62.300 -0.059 0.000 1.006 114 V CB 1.620 33.418 31.823 -0.042 0.000 1.058 114 V HN 1.122 nan 8.190 nan 0.000 0.440 115 S N -0.095 115.481 115.700 -0.206 0.000 2.671 115 S HA 0.628 5.098 4.470 -0.000 0.000 0.299 115 S C -0.525 173.871 174.600 -0.340 0.000 1.116 115 S CA 0.073 58.118 58.200 -0.258 0.000 0.912 115 S CB 1.896 65.016 63.200 -0.133 0.000 1.130 115 S HN 1.132 nan 8.310 nan 0.000 0.501 116 D N 0.250 120.467 120.400 -0.306 0.000 2.559 116 D HA 0.232 4.872 4.640 -0.000 0.000 0.234 116 D C -0.232 176.004 176.300 -0.106 0.000 1.226 116 D CA -0.309 53.585 54.000 -0.177 0.000 0.830 116 D CB -0.468 40.312 40.800 -0.034 0.000 1.028 116 D HN 0.338 nan 8.370 nan 0.000 0.492 117 S N 0.391 116.023 115.700 -0.112 0.000 3.315 117 S HA -0.271 4.199 4.470 -0.000 0.000 0.294 117 S C 0.201 174.760 174.600 -0.067 0.000 0.856 117 S CA 0.234 58.385 58.200 -0.082 0.000 1.370 117 S CB -1.385 61.779 63.200 -0.059 0.000 1.080 117 S HN 0.519 nan 8.310 nan 0.000 0.483 118 M N 2.510 122.059 119.600 -0.084 0.000 2.105 118 M HA 0.143 4.623 4.480 -0.000 0.000 0.350 118 M C 0.926 177.204 176.300 -0.036 0.000 1.308 118 M CA 0.175 55.437 55.300 -0.062 0.000 1.108 118 M CB 0.742 33.284 32.600 -0.097 0.000 1.622 118 M HN 0.406 nan 8.290 nan 0.000 0.468 119 T N 0.934 115.479 114.554 -0.016 0.000 2.852 119 T HA 0.073 4.423 4.350 -0.000 0.000 0.281 119 T C 1.185 175.880 174.700 -0.009 0.000 0.993 119 T CA -0.649 61.445 62.100 -0.011 0.000 0.933 119 T CB 1.072 69.940 68.868 -0.000 0.000 1.187 119 T HN 0.750 nan 8.240 nan 0.000 0.559 120 E N 0.717 120.908 120.200 -0.015 0.000 2.085 120 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 120 E C 1.735 178.300 176.600 -0.058 0.000 0.994 120 E CA 1.851 58.231 56.400 -0.033 0.000 0.801 120 E CB -0.056 29.625 29.700 -0.032 0.000 0.743 120 E HN 0.722 nan 8.360 nan 0.000 0.453 121 D N 0.125 120.511 120.400 -0.023 0.000 2.178 121 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 121 D C 1.797 178.106 176.300 0.015 0.000 0.974 121 D CA 1.235 55.219 54.000 -0.028 0.000 0.841 121 D CB -0.217 40.684 40.800 0.170 0.000 0.953 121 D HN 0.276 nan 8.370 nan 0.000 0.478 122 A N 0.982 123.846 122.820 0.072 0.000 2.066 122 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 122 A C 2.403 180.017 177.584 0.051 0.000 1.157 122 A CA 1.321 53.419 52.037 0.102 0.000 0.670 122 A CB -0.434 18.605 19.000 0.066 0.000 0.804 122 A HN 0.367 nan 8.150 nan 0.000 0.453 123 A N -0.591 122.224 122.820 -0.009 0.000 1.968 123 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 123 A C 2.040 179.590 177.584 -0.056 0.000 1.169 123 A CA 1.628 53.658 52.037 -0.012 0.000 0.638 123 A CB -0.461 18.523 19.000 -0.026 0.000 0.812 123 A HN 0.353 nan 8.150 nan 0.000 0.446 124 V N -1.881 117.922 119.914 -0.184 0.000 2.725 124 V HA -0.030 4.090 4.120 -0.000 0.000 0.247 124 V C 1.710 177.606 176.094 -0.331 0.000 1.058 124 V CA 1.202 63.302 62.300 -0.333 0.000 1.080 124 V CB -0.722 30.755 31.823 -0.578 0.000 0.713 124 V HN 0.530 nan 8.190 nan 0.000 0.465 125 F N 0.549 120.518 119.950 0.031 0.000 2.721 125 F HA 0.606 5.133 4.527 -0.000 0.000 0.301 125 F C 1.337 177.161 175.800 0.041 0.000 1.096 125 F CA 0.158 58.173 58.000 0.025 0.000 1.308 125 F CB -0.143 38.858 39.000 0.002 0.000 1.086 125 F HN 0.227 nan 8.300 nan 0.000 0.587 126 G N -0.142 108.788 108.800 0.217 0.000 2.663 126 G HA2 0.111 4.071 3.960 -0.000 0.000 0.686 126 G HA3 0.111 4.071 3.960 -0.000 0.000 0.686 126 G C 0.493 175.518 174.900 0.209 0.000 1.246 126 G CA -0.671 44.575 45.100 0.244 0.000 0.795 126 G HN 0.501 nan 8.290 nan 0.000 0.627 127 G N -0.627 108.382 108.800 0.347 0.000 3.440 127 G HA2 0.367 4.327 3.960 -0.000 0.000 0.263 127 G HA3 0.367 4.327 3.960 -0.000 0.000 0.263 127 G C 1.078 176.056 174.900 0.131 0.000 1.236 127 G CA 1.199 46.476 45.100 0.295 0.000 0.927 127 G HN 0.887 nan 8.290 nan 0.000 0.530 128 Q N 0.156 119.735 119.800 -0.368 0.000 2.124 128 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 128 Q C 2.354 178.134 176.000 -0.366 0.000 0.977 128 Q CA 1.625 56.961 55.803 -0.778 0.000 0.850 128 Q CB -0.080 28.052 28.738 -1.010 0.000 0.901 128 Q HN 0.426 nan 8.270 nan 0.000 0.429 129 Q N -0.050 119.620 119.800 -0.218 0.000 2.137 129 Q HA 0.003 4.343 4.340 -0.000 0.000 0.198 129 Q C 1.506 177.433 176.000 -0.123 0.000 0.960 129 Q CA 1.620 57.313 55.803 -0.183 0.000 0.847 129 Q CB -0.175 28.495 28.738 -0.112 0.000 0.915 129 Q HN 0.511 nan 8.270 nan 0.000 0.448 130 N N -0.337 118.345 118.700 -0.031 0.000 2.166 130 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 130 N C 1.544 177.118 175.510 0.107 0.000 1.019 130 N CA 1.473 54.543 53.050 0.033 0.000 0.856 130 N CB -0.145 38.361 38.487 0.032 0.000 0.993 130 N HN 0.298 nan 8.380 nan 0.000 0.426 131 M N 1.752 121.432 119.600 0.134 0.000 2.132 131 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 131 M C 1.725 178.005 176.300 -0.033 0.000 1.065 131 M CA 1.515 56.919 55.300 0.174 0.000 1.122 131 M CB -0.027 32.662 32.600 0.148 0.000 1.365 131 M HN -0.106 nan 8.290 nan 0.000 0.411 132 K N -0.055 120.182 120.400 -0.272 0.000 2.001 132 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 132 K C 1.722 178.093 176.600 -0.381 0.000 1.048 132 K CA 1.661 57.536 56.287 -0.687 0.000 0.932 132 K CB -0.395 31.291 32.500 -1.357 0.000 0.715 132 K HN 0.392 nan 8.250 nan 0.000 0.437 133 D N 0.142 120.446 120.400 -0.160 0.000 2.084 133 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 133 D C 2.069 178.451 176.300 0.137 0.000 0.990 133 D CA 1.526 55.573 54.000 0.079 0.000 0.826 133 D CB -0.614 40.224 40.800 0.063 0.000 0.971 133 D HN 0.342 nan 8.370 nan 0.000 0.453 134 G N 1.111 110.005 108.800 0.157 0.000 2.469 134 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 134 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 134 G C 1.842 176.981 174.900 0.398 0.000 1.136 134 G CA 0.406 45.670 45.100 0.274 0.000 0.759 134 G HN 0.228 nan 8.290 nan 0.000 0.562 135 L N -0.394 120.995 121.223 0.277 0.000 2.156 135 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 135 L C 2.960 179.895 176.870 0.107 0.000 1.095 135 L CA 1.262 56.187 54.840 0.140 0.000 0.770 135 L CB -0.295 41.756 42.059 -0.014 0.000 0.914 135 L HN 0.328 nan 8.230 nan 0.000 0.439 136 Q N 0.064 119.949 119.800 0.140 0.000 2.049 136 Q HA -0.181 4.159 4.340 -0.000 0.000 0.198 136 Q C 1.935 177.981 176.000 0.077 0.000 0.971 136 Q CA 1.436 57.306 55.803 0.111 0.000 0.833 136 Q CB 0.168 29.049 28.738 0.237 0.000 0.896 136 Q HN 0.439 nan 8.270 nan 0.000 0.434 137 N N 0.268 119.037 118.700 0.116 0.000 2.120 137 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 137 N C 1.845 177.415 175.510 0.100 0.000 1.024 137 N CA 1.264 54.366 53.050 0.087 0.000 0.852 137 N CB -0.859 37.689 38.487 0.101 0.000 1.003 137 N HN 0.335 nan 8.380 nan 0.000 0.424 138 C N 1.382 120.803 119.300 0.202 0.000 2.453 138 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 138 C C 2.586 177.714 174.990 0.231 0.000 1.262 138 C CA 0.807 60.013 59.018 0.314 0.000 1.718 138 C CB -0.861 27.133 27.740 0.424 0.000 2.031 138 C HN 0.423 nan 8.230 nan 0.000 0.480 139 K N 0.392 120.856 120.400 0.107 0.000 2.063 139 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 139 K C 2.082 178.672 176.600 -0.016 0.000 1.048 139 K CA 1.741 58.017 56.287 -0.018 0.000 0.928 139 K CB -0.341 31.955 32.500 -0.340 0.000 0.713 139 K HN 0.552 nan 8.250 nan 0.000 0.442 140 A N 0.102 122.903 122.820 -0.032 0.000 1.930 140 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 140 A C 2.053 179.600 177.584 -0.063 0.000 1.176 140 A CA 1.716 53.727 52.037 -0.044 0.000 0.632 140 A CB -0.487 18.484 19.000 -0.047 0.000 0.819 140 A HN 0.390 nan 8.150 nan 0.000 0.445 141 T N -1.624 112.856 114.554 -0.123 0.000 2.814 141 T HA -0.006 4.344 4.350 -0.000 0.000 0.254 141 T C 1.506 175.986 174.700 -0.367 0.000 1.037 141 T CA 1.399 63.304 62.100 -0.325 0.000 1.143 141 T CB -0.359 68.168 68.868 -0.568 0.000 0.866 141 T HN 0.568 nan 8.240 nan 0.000 0.431 142 Y N 1.004 121.379 120.300 0.125 0.000 2.500 142 Y HA 0.293 4.843 4.550 -0.000 0.000 0.270 142 Y C 0.601 176.652 175.900 0.252 0.000 1.134 142 Y CA -0.448 57.758 58.100 0.177 0.000 1.293 142 Y CB -0.133 38.446 38.460 0.198 0.000 1.063 142 Y HN 0.034 nan 8.280 nan 0.000 0.534 143 K N 0.634 121.200 120.400 0.277 0.000 3.451 143 K HA -0.189 4.130 4.320 -0.000 0.000 0.273 143 K C -2.883 173.856 176.600 0.232 0.000 0.944 143 K CA -0.013 56.406 56.287 0.221 0.000 0.734 143 K CB -1.329 31.268 32.500 0.161 0.000 1.437 143 K HN 0.295 nan 8.250 nan 0.000 0.454 144 P HA 0.162 nan 4.420 nan 0.000 0.280 144 P C -0.286 177.089 177.300 0.125 0.000 1.272 144 P CA -0.347 62.769 63.100 0.026 0.000 0.819 144 P CB 0.843 32.639 31.700 0.161 0.000 1.122 145 D N -0.652 119.706 120.400 -0.070 0.000 2.350 145 D HA 0.186 4.825 4.640 -0.000 0.000 0.213 145 D C 0.606 176.707 176.300 -0.331 0.000 1.031 145 D CA 0.911 54.877 54.000 -0.057 0.000 0.861 145 D CB 0.324 41.058 40.800 -0.109 0.000 0.926 145 D HN 0.309 nan 8.370 nan 0.000 0.520 146 M N 0.323 119.744 119.600 -0.298 0.000 2.414 146 M HA 0.338 4.818 4.480 -0.000 0.000 0.287 146 M C -2.159 174.045 176.300 -0.160 0.000 1.181 146 M CA -0.449 54.567 55.300 -0.474 0.000 0.933 146 M CB 2.385 34.797 32.600 -0.313 0.000 1.732 146 M HN -0.325 nan 8.290 nan 0.000 0.486 147 I N 3.440 123.926 120.570 -0.141 0.000 2.410 147 I HA 0.597 4.767 4.170 -0.000 0.000 0.286 147 I C -0.466 175.592 176.117 -0.099 0.000 1.009 147 I CA -0.679 60.644 61.300 0.038 0.000 1.111 147 I CB 1.978 40.090 38.000 0.187 0.000 1.262 147 I HN 0.810 nan 8.210 nan 0.000 0.443 148 A N 7.192 129.985 122.820 -0.045 0.000 2.253 148 A HA 0.639 4.959 4.320 -0.000 0.000 0.316 148 A C -0.443 177.150 177.584 0.014 0.000 1.327 148 A CA -0.450 51.529 52.037 -0.096 0.000 0.917 148 A CB 0.536 19.463 19.000 -0.122 0.000 1.162 148 A HN 0.446 nan 8.150 nan 0.000 0.535 149 V N 3.536 123.442 119.914 -0.013 0.000 2.432 149 V HA 0.464 4.584 4.120 -0.000 0.000 0.271 149 V C 0.655 176.803 176.094 0.091 0.000 1.046 149 V CA 0.134 62.486 62.300 0.085 0.000 0.945 149 V CB 0.522 32.336 31.823 -0.015 0.000 0.992 149 V HN 1.036 nan 8.190 nan 0.000 0.471 150 S N 3.348 119.139 115.700 0.152 0.000 2.801 150 S HA 0.929 5.399 4.470 -0.000 0.000 0.312 150 S C -0.180 174.512 174.600 0.154 0.000 1.112 150 S CA -0.478 57.782 58.200 0.100 0.000 0.943 150 S CB 2.213 65.457 63.200 0.074 0.000 1.269 150 S HN 0.858 nan 8.310 nan 0.000 0.558 151 T N -1.440 113.190 114.554 0.127 0.000 2.900 151 T HA 0.711 5.061 4.350 -0.000 0.000 0.303 151 T C -0.227 174.571 174.700 0.163 0.000 1.142 151 T CA -0.586 61.618 62.100 0.173 0.000 1.007 151 T CB 1.118 70.068 68.868 0.137 0.000 1.156 151 T HN 0.994 nan 8.240 nan 0.000 0.490 152 T N -1.622 113.042 114.554 0.182 0.000 2.927 152 T HA 0.346 4.696 4.350 -0.000 0.000 0.281 152 T C 1.907 176.696 174.700 0.149 0.000 0.998 152 T CA -0.269 61.935 62.100 0.173 0.000 1.019 152 T CB 0.436 69.396 68.868 0.152 0.000 1.061 152 T HN 1.102 nan 8.240 nan 0.000 0.518 153 C N 1.566 120.961 119.300 0.157 0.000 2.422 153 C HA -0.046 4.414 4.460 -0.000 0.000 0.279 153 C C 2.673 177.829 174.990 0.278 0.000 1.305 153 C CA 0.600 59.772 59.018 0.256 0.000 1.757 153 C CB -1.761 26.215 27.740 0.393 0.000 1.962 153 C HN 0.879 nan 8.230 nan 0.000 0.499 154 M N 2.667 122.376 119.600 0.182 0.000 2.108 154 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 154 M C 2.368 178.761 176.300 0.156 0.000 1.066 154 M CA 2.638 58.022 55.300 0.139 0.000 1.107 154 M CB -0.754 31.895 32.600 0.083 0.000 1.356 154 M HN 0.470 nan 8.290 nan 0.000 0.406 155 A N -0.335 122.589 122.820 0.174 0.000 2.119 155 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 155 A C 1.840 179.560 177.584 0.227 0.000 1.153 155 A CA 1.085 53.257 52.037 0.226 0.000 0.692 155 A CB -0.416 18.784 19.000 0.333 0.000 0.799 155 A HN 0.578 nan 8.150 nan 0.000 0.458 156 E N -0.291 120.049 120.200 0.234 0.000 2.122 156 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 156 E C 2.160 178.935 176.600 0.291 0.000 0.977 156 E CA 0.905 57.459 56.400 0.255 0.000 0.820 156 E CB -0.375 29.449 29.700 0.206 0.000 0.770 156 E HN 0.348 nan 8.360 nan 0.000 0.462 157 V N 2.582 122.678 119.914 0.303 0.000 2.343 157 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 157 V C 2.415 178.580 176.094 0.119 0.000 1.051 157 V CA 1.819 64.228 62.300 0.183 0.000 1.036 157 V CB -0.593 31.289 31.823 0.098 0.000 0.654 157 V HN 0.350 nan 8.190 nan 0.000 0.451 158 I N -1.031 119.614 120.570 0.126 0.000 3.684 158 I HA 0.389 4.559 4.170 -0.000 0.000 0.304 158 I C 1.266 177.448 176.117 0.109 0.000 1.278 158 I CA 0.652 62.015 61.300 0.105 0.000 1.272 158 I CB -0.845 37.222 38.000 0.111 0.000 1.029 158 I HN 0.335 nan 8.210 nan 0.000 0.458 159 G N 2.226 111.093 108.800 0.111 0.000 2.338 159 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.296 159 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.296 159 G C -0.475 174.440 174.900 0.026 0.000 1.040 159 G CA 0.325 45.468 45.100 0.072 0.000 1.004 159 G HN 0.569 nan 8.290 nan 0.000 0.509 160 D N 0.422 120.842 120.400 0.033 0.000 2.382 160 D HA 0.275 4.915 4.640 -0.000 0.000 0.259 160 D C 0.446 176.447 176.300 -0.498 0.000 1.224 160 D CA 0.060 53.946 54.000 -0.190 0.000 0.894 160 D CB 0.943 41.788 40.800 0.074 0.000 1.127 160 D HN 0.268 nan 8.370 nan 0.000 0.487 161 D N 3.392 123.279 120.400 -0.855 0.000 2.359 161 D HA 0.013 4.653 4.640 -0.000 0.000 0.250 161 D C 1.331 177.085 176.300 -0.910 0.000 1.264 161 D CA -0.182 53.465 54.000 -0.590 0.000 0.911 161 D CB 0.417 40.984 40.800 -0.387 0.000 1.056 161 D HN 0.332 nan 8.370 nan 0.000 0.499 162 L N 3.478 124.318 121.223 -0.638 0.000 2.042 162 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 162 L C 2.314 178.666 176.870 -0.863 0.000 1.076 162 L CA 0.810 55.178 54.840 -0.787 0.000 0.749 162 L CB -0.440 41.119 42.059 -0.832 0.000 0.893 162 L HN 0.541 nan 8.230 nan 0.000 0.432 163 N N 0.349 118.483 118.700 -0.944 0.000 2.084 163 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 163 N C 1.873 177.170 175.510 -0.354 0.000 1.030 163 N CA 1.494 54.040 53.050 -0.840 0.000 0.849 163 N CB 0.144 38.367 38.487 -0.439 0.000 1.012 163 N HN 0.315 nan 8.380 nan 0.000 0.423 164 A N 0.860 123.546 122.820 -0.223 0.000 1.877 164 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 164 A C 1.878 179.547 177.584 0.141 0.000 1.186 164 A CA 0.989 53.019 52.037 -0.011 0.000 0.620 164 A CB -0.887 18.154 19.000 0.067 0.000 0.822 164 A HN 0.309 nan 8.150 nan 0.000 0.443 165 F N 0.047 119.884 119.950 -0.188 0.000 2.161 165 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 165 F C 2.137 177.825 175.800 -0.186 0.000 1.089 165 F CA 0.453 58.345 58.000 -0.179 0.000 1.282 165 F CB -0.882 37.989 39.000 -0.215 0.000 1.010 165 F HN 0.143 nan 8.300 nan 0.000 0.485 166 I N -0.409 120.138 120.570 -0.038 0.000 2.406 166 I HA -0.228 3.942 4.170 -0.000 0.000 0.249 166 I C 1.939 178.036 176.117 -0.032 0.000 1.122 166 I CA 0.688 61.937 61.300 -0.084 0.000 1.431 166 I CB -0.411 37.484 38.000 -0.175 0.000 1.087 166 I HN 0.018 nan 8.210 nan 0.000 0.424 167 N N 1.165 119.845 118.700 -0.033 0.000 2.188 167 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 167 N C 1.419 176.941 175.510 0.019 0.000 1.018 167 N CA 1.314 54.364 53.050 0.000 0.000 0.858 167 N CB -0.566 37.917 38.487 -0.007 0.000 0.989 167 N HN 0.471 nan 8.380 nan 0.000 0.426 168 N N -0.151 118.558 118.700 0.016 0.000 2.354 168 N HA 0.034 4.774 4.740 -0.000 0.000 0.179 168 N C 1.424 176.943 175.510 0.016 0.000 1.021 168 N CA 0.475 53.532 53.050 0.011 0.000 0.887 168 N CB 0.121 38.596 38.487 -0.019 0.000 0.974 168 N HN 0.057 nan 8.380 nan 0.000 0.437 169 S N 0.972 116.664 115.700 -0.012 0.000 2.383 169 S HA -0.040 4.430 4.470 -0.000 0.000 0.227 169 S C 1.654 176.342 174.600 0.147 0.000 1.026 169 S CA 0.993 59.192 58.200 -0.001 0.000 0.981 169 S CB 0.009 63.173 63.200 -0.061 0.000 0.818 169 S HN 0.284 nan 8.310 nan 0.000 0.472 170 K N 0.950 121.406 120.400 0.093 0.000 2.155 170 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 170 K C 2.141 178.796 176.600 0.091 0.000 1.052 170 K CA 0.824 57.169 56.287 0.098 0.000 0.948 170 K CB -0.059 32.488 32.500 0.079 0.000 0.728 170 K HN 0.144 nan 8.250 nan 0.000 0.448 171 K N 1.185 121.635 120.400 0.083 0.000 2.155 171 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 171 K C 1.139 177.788 176.600 0.080 0.000 1.052 171 K CA 1.120 57.447 56.287 0.066 0.000 0.948 171 K CB 0.286 32.816 32.500 0.049 0.000 0.728 171 K HN -0.055 nan 8.250 nan 0.000 0.448 172 E N -0.812 119.479 120.200 0.152 0.000 2.476 172 E HA 0.116 4.466 4.350 -0.000 0.000 0.191 172 E C 0.314 176.941 176.600 0.046 0.000 1.064 172 E CA 0.522 57.028 56.400 0.177 0.000 0.866 172 E CB 0.746 30.696 29.700 0.416 0.000 0.952 172 E HN 0.450 nan 8.360 nan 0.000 0.492 173 G N -0.059 108.766 108.800 0.041 0.000 2.176 173 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.252 173 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.252 173 G C 0.514 175.309 174.900 -0.175 0.000 1.024 173 G CA 0.370 45.426 45.100 -0.074 0.000 0.755 173 G HN 0.341 nan 8.290 nan 0.000 0.507 174 F N 0.195 120.125 119.950 -0.033 0.000 2.270 174 F HA 0.347 4.874 4.527 -0.000 0.000 0.295 174 F C 1.773 177.530 175.800 -0.071 0.000 1.087 174 F CA 1.448 59.423 58.000 -0.042 0.000 1.365 174 F CB 0.160 39.142 39.000 -0.030 0.000 1.056 174 F HN 0.440 nan 8.300 nan 0.000 0.506 175 I N -3.934 116.692 120.570 0.094 0.000 2.894 175 I HA 0.510 4.680 4.170 -0.000 0.000 0.302 175 I C -2.933 173.191 176.117 0.012 0.000 1.188 175 I CA -2.696 58.582 61.300 -0.037 0.000 1.014 175 I CB 1.708 39.657 38.000 -0.085 0.000 1.242 175 I HN -0.385 nan 8.210 nan 0.000 0.430 176 P HA 0.068 nan 4.420 nan 0.000 0.268 176 P C -0.225 177.147 177.300 0.120 0.000 1.208 176 P CA 0.199 63.337 63.100 0.062 0.000 0.777 176 P CB 0.656 32.402 31.700 0.078 0.000 0.875 177 D N 1.036 121.492 120.400 0.093 0.000 2.178 177 D HA -0.174 4.466 4.640 -0.000 0.000 0.202 177 D C 1.483 177.852 176.300 0.114 0.000 0.974 177 D CA 0.970 55.026 54.000 0.092 0.000 0.841 177 D CB 0.124 40.958 40.800 0.058 0.000 0.953 177 D HN 0.444 nan 8.370 nan 0.000 0.478 178 E N -0.089 120.184 120.200 0.122 0.000 2.478 178 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 178 E C 0.163 176.861 176.600 0.164 0.000 1.045 178 E CA -0.248 56.224 56.400 0.120 0.000 0.868 178 E CB -0.671 29.084 29.700 0.091 0.000 0.885 178 E HN 0.301 nan 8.360 nan 0.000 0.505 179 F N 3.943 123.923 119.950 0.049 0.000 2.541 179 F HA 0.208 4.735 4.527 -0.000 0.000 0.378 179 F C -2.142 173.670 175.800 0.020 0.000 1.068 179 F CA -2.640 55.380 58.000 0.033 0.000 1.199 179 F CB 0.587 39.596 39.000 0.016 0.000 1.091 179 F HN -0.209 nan 8.300 nan 0.000 0.555 180 P HA 0.073 nan 4.420 nan 0.000 0.265 180 P C -1.037 175.822 177.300 -0.734 0.000 1.222 180 P CA 0.218 62.982 63.100 -0.560 0.000 0.767 180 P CB 0.601 32.065 31.700 -0.394 0.000 0.801 181 V N 6.353 125.818 119.914 -0.748 0.000 2.462 181 V HA 0.228 4.348 4.120 -0.000 0.000 0.257 181 V C -2.019 173.698 176.094 -0.629 0.000 0.944 181 V CA -1.661 60.345 62.300 -0.490 0.000 0.903 181 V CB 1.084 32.827 31.823 -0.133 0.000 1.128 181 V HN 0.485 nan 8.190 nan 0.000 0.486 182 P HA 0.419 nan 4.420 nan 0.000 0.274 182 P C -0.796 176.393 177.300 -0.185 0.000 1.237 182 P CA 0.026 62.769 63.100 -0.596 0.000 0.793 182 P CB 1.277 32.577 31.700 -0.667 0.000 0.977 183 F N -1.324 118.476 119.950 -0.249 0.000 2.675 183 F HA 0.887 5.414 4.527 -0.000 0.000 0.324 183 F C -1.653 174.043 175.800 -0.174 0.000 1.106 183 F CA -1.470 56.404 58.000 -0.210 0.000 0.970 183 F CB 1.321 40.190 39.000 -0.219 0.000 1.385 183 F HN 0.511 nan 8.300 nan 0.000 0.489 184 A N 0.677 123.459 122.820 -0.062 0.000 2.530 184 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 184 A C -2.191 175.385 177.584 -0.013 0.000 1.059 184 A CA -0.683 51.295 52.037 -0.099 0.000 0.782 184 A CB 0.173 19.102 19.000 -0.120 0.000 1.301 184 A HN 0.944 nan 8.150 nan 0.000 0.394 185 H N 1.731 120.835 119.070 0.056 0.000 2.800 185 H HA 0.427 4.983 4.556 -0.000 0.000 0.291 185 H C 0.664 175.990 175.328 -0.005 0.000 1.076 185 H CA 1.481 57.556 56.048 0.044 0.000 1.452 185 H CB 0.859 30.644 29.762 0.038 0.000 1.461 185 H HN 0.568 nan 8.280 nan 0.000 0.488 186 T N 2.369 116.961 114.554 0.063 0.000 3.390 186 T HA 0.245 4.595 4.350 -0.000 0.000 0.351 186 T C -2.844 171.808 174.700 -0.081 0.000 1.759 186 T CA -2.209 59.891 62.100 -0.000 0.000 1.561 186 T CB 0.288 69.160 68.868 0.006 0.000 1.011 186 T HN 0.299 nan 8.240 nan 0.000 0.689 187 P HA 0.129 nan 4.420 nan 0.000 0.263 187 P C 0.844 177.829 177.300 -0.525 0.000 1.195 187 P CA 0.039 62.806 63.100 -0.554 0.000 0.762 187 P CB 1.028 32.246 31.700 -0.804 0.000 0.799 188 S N 2.752 118.190 115.700 -0.435 0.000 2.447 188 S HA -0.121 4.348 4.470 -0.000 0.000 0.233 188 S C 1.164 175.713 174.600 -0.084 0.000 1.006 188 S CA 1.111 59.224 58.200 -0.147 0.000 0.957 188 S CB -0.877 62.345 63.200 0.036 0.000 0.773 188 S HN 0.643 nan 8.310 nan 0.000 0.507 189 F N 0.574 120.547 119.950 0.038 0.000 2.664 189 F HA 0.557 5.084 4.527 -0.000 0.000 0.301 189 F C -0.072 175.743 175.800 0.024 0.000 1.126 189 F CA -0.778 57.237 58.000 0.025 0.000 1.373 189 F CB -0.454 38.562 39.000 0.027 0.000 1.042 189 F HN -0.176 nan 8.300 nan 0.000 0.535 190 V N 0.730 120.613 119.914 -0.052 0.000 2.588 190 V HA 0.747 4.867 4.120 -0.000 0.000 0.304 190 V C 0.840 176.918 176.094 -0.027 0.000 1.042 190 V CA -0.620 61.675 62.300 -0.007 0.000 0.877 190 V CB 0.721 32.514 31.823 -0.050 0.000 0.996 190 V HN 0.576 nan 8.190 nan 0.000 0.425 191 G N 4.973 113.772 108.800 -0.001 0.000 2.660 191 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.321 191 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.321 191 G C 0.307 175.171 174.900 -0.060 0.000 1.246 191 G CA 1.193 46.277 45.100 -0.027 0.000 1.000 191 G HN 1.975 nan 8.290 nan 0.000 0.550 192 S N -2.662 112.977 115.700 -0.102 0.000 2.724 192 S HA 0.545 5.015 4.470 -0.000 0.000 0.278 192 S C 0.926 175.424 174.600 -0.171 0.000 1.190 192 S CA 0.703 58.835 58.200 -0.112 0.000 0.860 192 S CB 0.572 63.673 63.200 -0.164 0.000 1.206 192 S HN 1.741 nan 8.310 nan 0.000 0.507 193 H N 0.976 119.914 119.070 -0.220 0.000 2.426 193 H HA -0.087 4.469 4.556 -0.000 0.000 0.298 193 H C 2.142 177.280 175.328 -0.316 0.000 1.107 193 H CA 2.245 58.123 56.048 -0.282 0.000 1.298 193 H CB -1.401 28.092 29.762 -0.447 0.000 1.377 193 H HN 0.632 nan 8.280 nan 0.000 0.519 194 V N -0.217 119.117 119.914 -0.967 0.000 2.427 194 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 194 V C 2.286 178.274 176.094 -0.176 0.000 1.051 194 V CA 1.902 63.764 62.300 -0.729 0.000 1.048 194 V CB -1.244 29.964 31.823 -1.024 0.000 0.666 194 V HN 0.373 nan 8.190 nan 0.000 0.456 195 T N 1.261 115.735 114.554 -0.134 0.000 2.867 195 T HA 0.015 4.365 4.350 -0.000 0.000 0.268 195 T C 1.927 176.678 174.700 0.085 0.000 1.057 195 T CA 1.562 63.674 62.100 0.019 0.000 1.136 195 T CB -0.742 68.117 68.868 -0.014 0.000 0.874 195 T HN 0.693 nan 8.240 nan 0.000 0.466 196 G N -0.416 108.420 108.800 0.060 0.000 2.422 196 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 196 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 196 G C 1.304 176.324 174.900 0.200 0.000 1.140 196 G CA 0.167 45.324 45.100 0.095 0.000 0.775 196 G HN 0.574 nan 8.290 nan 0.000 0.545 197 W N 0.894 122.268 121.300 0.124 0.000 2.409 197 W HA 0.020 4.680 4.660 -0.000 0.000 0.299 197 W C 2.191 178.860 176.519 0.251 0.000 1.203 197 W CA 1.095 58.583 57.345 0.238 0.000 1.298 197 W CB 0.209 29.865 29.460 0.328 0.000 1.127 197 W HN 0.228 nan 8.180 nan 0.000 0.528 198 D N 0.040 120.816 120.400 0.627 0.000 2.097 198 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 198 D C 1.733 178.209 176.300 0.292 0.000 0.989 198 D CA 1.714 56.006 54.000 0.487 0.000 0.827 198 D CB -0.501 40.498 40.800 0.331 0.000 0.966 198 D HN 0.018 nan 8.370 nan 0.000 0.456 199 N N -0.227 118.580 118.700 0.178 0.000 2.106 199 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 199 N C 1.772 177.278 175.510 -0.007 0.000 1.029 199 N CA 0.935 54.024 53.050 0.064 0.000 0.848 199 N CB -0.455 38.057 38.487 0.042 0.000 1.007 199 N HN 0.275 nan 8.380 nan 0.000 0.423 200 M N -0.205 119.392 119.600 -0.005 0.000 2.175 200 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 200 M C 1.737 177.943 176.300 -0.156 0.000 1.063 200 M CA 1.073 56.307 55.300 -0.109 0.000 1.119 200 M CB -0.396 32.129 32.600 -0.126 0.000 1.377 200 M HN 0.092 nan 8.290 nan 0.000 0.415 201 F N 0.446 120.278 119.950 -0.197 0.000 2.146 201 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 201 F C 2.337 178.085 175.800 -0.088 0.000 1.096 201 F CA 1.839 59.755 58.000 -0.140 0.000 1.275 201 F CB -0.411 38.587 39.000 -0.004 0.000 1.008 201 F HN 0.216 nan 8.300 nan 0.000 0.480 202 E N 0.338 120.513 120.200 -0.042 0.000 2.110 202 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 202 E C 2.390 178.694 176.600 -0.493 0.000 0.988 202 E CA 1.168 57.419 56.400 -0.247 0.000 0.804 202 E CB -0.669 28.958 29.700 -0.122 0.000 0.745 202 E HN 0.514 nan 8.360 nan 0.000 0.458 203 G N 1.071 109.627 108.800 -0.407 0.000 2.422 203 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 203 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 203 G C 1.719 176.339 174.900 -0.466 0.000 1.146 203 G CA 0.619 45.423 45.100 -0.493 0.000 0.769 203 G HN 0.251 nan 8.290 nan 0.000 0.547 204 I N 1.021 121.312 120.570 -0.465 0.000 2.406 204 I HA -0.025 4.145 4.170 -0.000 0.000 0.249 204 I C 3.220 179.203 176.117 -0.223 0.000 1.122 204 I CA 0.683 61.737 61.300 -0.411 0.000 1.431 204 I CB -0.132 37.478 38.000 -0.650 0.000 1.087 204 I HN 0.224 nan 8.210 nan 0.000 0.424 205 A N 1.083 123.674 122.820 -0.383 0.000 1.877 205 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 205 A C 2.419 179.991 177.584 -0.019 0.000 1.186 205 A CA 1.437 53.443 52.037 -0.051 0.000 0.620 205 A CB -0.568 18.373 19.000 -0.098 0.000 0.822 205 A HN 0.263 nan 8.150 nan 0.000 0.443 206 R N -2.240 117.925 120.500 -0.558 0.000 2.083 206 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 206 R C 2.152 178.355 176.300 -0.162 0.000 1.137 206 R CA 1.867 57.677 56.100 -0.483 0.000 0.951 206 R CB -0.581 29.348 30.300 -0.617 0.000 0.851 206 R HN 0.688 nan 8.270 nan 0.000 0.434 207 Y N 0.048 120.144 120.300 -0.340 0.000 2.165 207 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 207 Y C 1.620 177.261 175.900 -0.432 0.000 1.155 207 Y CA 1.786 59.631 58.100 -0.425 0.000 1.164 207 Y CB -0.144 37.928 38.460 -0.647 0.000 0.978 207 Y HN -0.029 nan 8.280 nan 0.000 0.513 208 F N -1.592 118.386 119.950 0.048 0.000 2.698 208 F HA 0.002 4.529 4.527 -0.000 0.000 0.295 208 F C 2.165 177.975 175.800 0.018 0.000 1.124 208 F CA 1.033 59.046 58.000 0.022 0.000 1.426 208 F CB 0.095 39.117 39.000 0.037 0.000 1.120 208 F HN 0.104 nan 8.300 nan 0.000 0.583 209 T N -3.587 111.123 114.554 0.259 0.000 2.964 209 T HA 0.082 4.432 4.350 -0.000 0.000 0.250 209 T C 1.846 176.685 174.700 0.231 0.000 0.982 209 T CA -0.053 62.196 62.100 0.248 0.000 0.959 209 T CB -0.409 68.700 68.868 0.401 0.000 1.141 209 T HN 0.076 nan 8.240 nan 0.000 0.494 210 L N 1.083 122.471 121.223 0.276 0.000 2.051 210 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 210 L C 1.996 178.917 176.870 0.085 0.000 1.076 210 L CA 2.141 57.113 54.840 0.219 0.000 0.758 210 L CB -0.556 41.603 42.059 0.167 0.000 0.890 210 L HN 0.234 nan 8.230 nan 0.000 0.433 211 K N -0.549 119.860 120.400 0.015 0.000 2.186 211 K HA 0.033 4.353 4.320 -0.000 0.000 0.202 211 K C 1.869 178.465 176.600 -0.006 0.000 1.052 211 K CA 0.911 57.189 56.287 -0.015 0.000 0.965 211 K CB -0.120 32.340 32.500 -0.067 0.000 0.746 211 K HN 0.193 nan 8.250 nan 0.000 0.457 212 S N 0.748 116.449 115.700 0.002 0.000 2.603 212 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 212 S C 1.224 175.816 174.600 -0.012 0.000 0.967 212 S CA 0.268 58.465 58.200 -0.006 0.000 0.920 212 S CB -0.080 63.117 63.200 -0.004 0.000 0.773 212 S HN 0.132 nan 8.310 nan 0.000 0.529 213 M N 2.362 121.961 119.600 -0.000 0.000 2.267 213 M HA -0.144 4.335 4.480 -0.000 0.000 0.263 213 M C 1.360 177.647 176.300 -0.021 0.000 1.063 213 M CA 1.209 56.501 55.300 -0.014 0.000 1.090 213 M CB -1.557 31.046 32.600 0.006 0.000 1.392 213 M HN 0.399 nan 8.290 nan 0.000 0.422 214 D N 0.217 120.608 120.400 -0.015 0.000 2.219 214 D HA -0.173 4.467 4.640 -0.000 0.000 0.205 214 D C 1.072 177.361 176.300 -0.018 0.000 0.970 214 D CA 1.317 55.308 54.000 -0.015 0.000 0.851 214 D CB -0.704 40.090 40.800 -0.011 0.000 0.943 214 D HN 0.518 nan 8.370 nan 0.000 0.488 215 D N -0.512 119.874 120.400 -0.023 0.000 2.349 215 D HA 0.009 4.649 4.640 -0.000 0.000 0.214 215 D C 0.020 176.301 176.300 -0.031 0.000 1.063 215 D CA -0.188 53.797 54.000 -0.024 0.000 0.847 215 D CB 0.111 40.897 40.800 -0.023 0.000 0.933 215 D HN -0.058 nan 8.370 nan 0.000 0.513 216 K N 0.581 120.957 120.400 -0.040 0.000 2.205 216 K HA 0.418 4.737 4.320 -0.000 0.000 0.279 216 K C -0.662 175.916 176.600 -0.035 0.000 1.027 216 K CA -0.469 55.786 56.287 -0.053 0.000 0.932 216 K CB 2.091 34.537 32.500 -0.089 0.000 1.032 216 K HN -0.143 nan 8.250 nan 0.000 0.466 217 V N 3.613 123.511 119.914 -0.027 0.000 2.531 217 V HA 0.257 4.377 4.120 -0.000 0.000 0.301 217 V C -0.500 175.601 176.094 0.012 0.000 1.034 217 V CA -1.187 61.109 62.300 -0.007 0.000 0.865 217 V CB 1.938 33.756 31.823 -0.007 0.000 0.995 217 V HN 0.439 nan 8.190 nan 0.000 0.424 218 V N 4.825 124.763 119.914 0.041 0.000 2.485 218 V HA 0.420 4.540 4.120 -0.000 0.000 0.287 218 V C 1.433 177.557 176.094 0.051 0.000 1.022 218 V CA 1.624 63.978 62.300 0.091 0.000 1.067 218 V CB 0.308 32.212 31.823 0.136 0.000 0.967 218 V HN 1.332 nan 8.190 nan 0.000 0.479 219 G N 4.239 113.062 108.800 0.039 0.000 2.176 219 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 219 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 219 G C 1.068 175.967 174.900 -0.002 0.000 0.979 219 G CA 0.807 45.910 45.100 0.005 0.000 0.641 219 G HN 1.101 nan 8.290 nan 0.000 0.530 220 S N 0.799 116.499 115.700 -0.001 0.000 2.453 220 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 220 S C 1.830 176.420 174.600 -0.016 0.000 1.005 220 S CA 1.583 59.778 58.200 -0.010 0.000 0.949 220 S CB -0.275 62.918 63.200 -0.012 0.000 0.774 220 S HN 1.059 nan 8.310 nan 0.000 0.510 221 N N 1.020 119.708 118.700 -0.020 0.000 2.280 221 N HA 0.056 4.796 4.740 -0.000 0.000 0.192 221 N C -0.074 175.423 175.510 -0.023 0.000 1.109 221 N CA 0.031 53.065 53.050 -0.027 0.000 0.855 221 N CB -0.488 37.977 38.487 -0.037 0.000 0.974 221 N HN 0.261 nan 8.380 nan 0.000 0.482 222 K N -0.263 120.127 120.400 -0.017 0.000 3.096 222 K HA -0.197 4.123 4.320 -0.000 0.000 0.266 222 K C -0.790 175.804 176.600 -0.010 0.000 1.043 222 K CA 0.791 57.070 56.287 -0.014 0.000 0.758 222 K CB -1.733 30.760 32.500 -0.012 0.000 1.260 222 K HN 0.563 nan 8.250 nan 0.000 0.481 223 K N -0.010 120.384 120.400 -0.010 0.000 2.352 223 K HA 0.654 4.974 4.320 -0.000 0.000 0.240 223 K C 0.133 176.740 176.600 0.013 0.000 1.017 223 K CA -0.968 55.324 56.287 0.009 0.000 0.851 223 K CB 1.588 34.087 32.500 -0.001 0.000 1.261 223 K HN 0.000 nan 8.250 nan 0.000 0.451 224 I N 2.163 122.770 120.570 0.061 0.000 2.436 224 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 224 I C -0.604 175.591 176.117 0.130 0.000 1.010 224 I CA -1.040 60.291 61.300 0.052 0.000 1.098 224 I CB 1.600 39.619 38.000 0.032 0.000 1.266 224 I HN 0.457 nan 8.210 nan 0.000 0.434 225 N N 6.716 125.498 118.700 0.136 0.000 2.530 225 N HA 0.445 5.185 4.740 -0.000 0.000 0.277 225 N C -0.661 174.981 175.510 0.221 0.000 1.168 225 N CA -0.196 52.990 53.050 0.226 0.000 0.979 225 N CB 1.853 40.549 38.487 0.349 0.000 1.141 225 N HN 0.358 nan 8.380 nan 0.000 0.459 226 I N 1.718 122.431 120.570 0.239 0.000 2.447 226 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 226 I C -0.492 175.719 176.117 0.155 0.000 1.023 226 I CA -0.699 60.713 61.300 0.188 0.000 1.083 226 I CB 1.579 39.693 38.000 0.189 0.000 1.245 226 I HN 0.040 nan 8.210 nan 0.000 0.434 227 V N 8.952 128.905 119.914 0.065 0.000 2.328 227 V HA 0.270 4.390 4.120 -0.000 0.000 0.278 227 V C -1.256 174.772 176.094 -0.110 0.000 1.021 227 V CA -1.049 61.212 62.300 -0.064 0.000 0.838 227 V CB 1.570 33.244 31.823 -0.248 0.000 0.999 227 V HN 0.570 nan 8.190 nan 0.000 0.447 228 P HA 0.058 nan 4.420 nan 0.000 0.216 228 P C 0.769 177.821 177.300 -0.414 0.000 1.153 228 P CA 1.717 64.739 63.100 -0.130 0.000 0.844 228 P CB 0.509 32.290 31.700 0.136 0.000 0.787 229 G N 0.097 108.329 108.800 -0.947 0.000 2.728 229 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.294 229 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.294 229 G C -0.998 173.107 174.900 -1.325 0.000 1.342 229 G CA -0.496 43.820 45.100 -1.307 0.000 0.866 229 G HN 0.272 nan 8.290 nan 0.000 0.534 230 F N 1.575 120.941 119.950 -0.972 0.000 2.518 230 F HA 0.511 5.038 4.527 -0.000 0.000 0.375 230 F C 0.538 176.169 175.800 -0.282 0.000 1.097 230 F CA 0.626 58.260 58.000 -0.611 0.000 1.108 230 F CB 0.570 39.329 39.000 -0.401 0.000 1.078 230 F HN 0.610 nan 8.300 nan 0.000 0.564 231 E N 3.308 123.272 120.200 -0.394 0.000 2.241 231 E HA 0.255 4.605 4.350 -0.000 0.000 0.263 231 E C 0.040 176.482 176.600 -0.264 0.000 0.882 231 E CA -0.394 55.812 56.400 -0.324 0.000 0.769 231 E CB 1.322 30.729 29.700 -0.489 0.000 1.185 231 E HN 0.483 nan 8.360 nan 0.000 0.415 232 T N 0.955 115.362 114.554 -0.245 0.000 3.129 232 T HA 0.302 4.651 4.350 -0.000 0.000 0.267 232 T C -0.220 174.506 174.700 0.043 0.000 1.018 232 T CA -0.142 61.922 62.100 -0.060 0.000 0.903 232 T CB -0.348 68.229 68.868 -0.485 0.000 1.067 232 T HN 0.332 nan 8.240 nan 0.000 0.549 233 Y N 1.413 121.735 120.300 0.036 0.000 2.328 233 Y HA 0.417 4.967 4.550 -0.000 0.000 0.333 233 Y C 0.998 176.896 175.900 -0.004 0.000 0.958 233 Y CA -1.559 56.568 58.100 0.045 0.000 1.167 233 Y CB 1.434 39.859 38.460 -0.059 0.000 1.151 233 Y HN -0.086 nan 8.280 nan 0.000 0.470 234 L N 2.664 124.089 121.223 0.337 0.000 2.187 234 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 234 L C 2.127 179.101 176.870 0.173 0.000 1.100 234 L CA 1.906 56.934 54.840 0.314 0.000 0.765 234 L CB -1.322 40.927 42.059 0.317 0.000 0.904 234 L HN 0.938 nan 8.230 nan 0.000 0.437 235 G N -0.703 108.153 108.800 0.093 0.000 2.509 235 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 235 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 235 G C 1.472 176.342 174.900 -0.050 0.000 1.124 235 G CA 0.234 45.342 45.100 0.012 0.000 0.776 235 G HN 0.382 nan 8.290 nan 0.000 0.547 236 N N 0.325 118.953 118.700 -0.121 0.000 2.250 236 N HA 0.014 4.754 4.740 -0.000 0.000 0.181 236 N C 1.794 177.174 175.510 -0.215 0.000 1.017 236 N CA 0.503 53.415 53.050 -0.229 0.000 0.866 236 N CB -0.362 37.934 38.487 -0.319 0.000 0.985 236 N HN 0.414 nan 8.380 nan 0.000 0.429 237 F N 1.533 121.477 119.950 -0.010 0.000 2.146 237 F HA 0.016 4.543 4.527 -0.000 0.000 0.298 237 F C 2.482 178.267 175.800 -0.024 0.000 1.096 237 F CA 0.698 58.687 58.000 -0.018 0.000 1.275 237 F CB -0.015 38.986 39.000 0.001 0.000 1.008 237 F HN -0.093 nan 8.300 nan 0.000 0.480 238 R N -0.230 120.372 120.500 0.169 0.000 2.096 238 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 238 R C 2.230 178.541 176.300 0.018 0.000 1.127 238 R CA 1.245 57.398 56.100 0.088 0.000 0.968 238 R CB -0.752 29.593 30.300 0.076 0.000 0.861 238 R HN 0.225 nan 8.270 nan 0.000 0.440 239 V N 1.061 120.958 119.914 -0.029 0.000 2.548 239 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 239 V C 1.888 177.926 176.094 -0.093 0.000 1.055 239 V CA 1.343 63.603 62.300 -0.068 0.000 1.065 239 V CB -0.146 31.611 31.823 -0.110 0.000 0.681 239 V HN 0.205 nan 8.190 nan 0.000 0.462 240 I N 0.148 120.651 120.570 -0.111 0.000 2.252 240 I HA -0.149 4.021 4.170 -0.000 0.000 0.245 240 I C 2.476 178.491 176.117 -0.170 0.000 1.102 240 I CA 1.597 62.812 61.300 -0.142 0.000 1.385 240 I CB -1.271 36.640 38.000 -0.148 0.000 1.064 240 I HN 0.360 nan 8.210 nan 0.000 0.414 241 K N 0.026 120.346 120.400 -0.133 0.000 2.148 241 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 241 K C 2.265 178.804 176.600 -0.101 0.000 1.050 241 K CA 0.650 56.826 56.287 -0.185 0.000 0.942 241 K CB -0.041 32.493 32.500 0.058 0.000 0.724 241 K HN 0.160 nan 8.250 nan 0.000 0.446 242 R N 1.192 121.667 120.500 -0.041 0.000 2.066 242 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 242 R C 2.061 178.352 176.300 -0.015 0.000 1.131 242 R CA 1.390 57.486 56.100 -0.008 0.000 0.955 242 R CB -0.152 30.147 30.300 -0.001 0.000 0.851 242 R HN 0.207 nan 8.270 nan 0.000 0.432 243 M N 0.389 119.969 119.600 -0.033 0.000 2.319 243 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 243 M C 2.145 178.440 176.300 -0.008 0.000 1.068 243 M CA 1.155 56.453 55.300 -0.003 0.000 1.118 243 M CB -0.019 32.588 32.600 0.012 0.000 1.395 243 M HN 0.095 nan 8.290 nan 0.000 0.435 244 L N -1.286 119.888 121.223 -0.081 0.000 2.127 244 L HA -0.064 4.276 4.340 -0.000 0.000 0.203 244 L C 2.511 179.384 176.870 0.006 0.000 1.080 244 L CA 0.735 55.516 54.840 -0.098 0.000 0.768 244 L CB -0.583 41.256 42.059 -0.365 0.000 0.924 244 L HN 0.173 nan 8.230 nan 0.000 0.444 245 S N -0.353 115.368 115.700 0.035 0.000 2.399 245 S HA -0.216 4.254 4.470 -0.000 0.000 0.231 245 S C 1.854 176.495 174.600 0.068 0.000 1.022 245 S CA 1.233 59.502 58.200 0.116 0.000 0.983 245 S CB -0.115 63.164 63.200 0.131 0.000 0.803 245 S HN 0.377 nan 8.310 nan 0.000 0.480 246 E N 0.590 120.816 120.200 0.043 0.000 2.150 246 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 246 E C 1.744 178.366 176.600 0.036 0.000 0.985 246 E CA 0.773 57.196 56.400 0.038 0.000 0.814 246 E CB -0.017 29.704 29.700 0.035 0.000 0.752 246 E HN 0.471 nan 8.360 nan 0.000 0.466 247 M N -1.367 118.253 119.600 0.033 0.000 2.541 247 M HA 0.135 4.615 4.480 -0.000 0.000 0.252 247 M C 1.128 177.446 176.300 0.030 0.000 1.125 247 M CA 0.758 56.074 55.300 0.026 0.000 1.091 247 M CB 0.900 33.508 32.600 0.013 0.000 1.420 247 M HN 0.290 nan 8.290 nan 0.000 0.486 248 G N 1.136 109.963 108.800 0.046 0.000 2.137 248 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.237 248 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.237 248 G C -0.065 174.870 174.900 0.059 0.000 1.002 248 G CA -0.245 44.886 45.100 0.050 0.000 0.702 248 G HN 0.306 nan 8.290 nan 0.000 0.515 249 V N 0.749 120.710 119.914 0.078 0.000 2.530 249 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 249 V C 1.327 177.533 176.094 0.186 0.000 1.048 249 V CA 0.237 62.593 62.300 0.093 0.000 0.997 249 V CB 1.483 33.341 31.823 0.058 0.000 0.987 249 V HN 0.728 nan 8.190 nan 0.000 0.477 250 G N 4.587 113.461 108.800 0.123 0.000 2.353 250 G HA2 0.542 4.502 3.960 -0.000 0.000 0.284 250 G HA3 0.542 4.502 3.960 -0.000 0.000 0.284 250 G C -0.958 174.038 174.900 0.160 0.000 1.172 250 G CA -0.140 45.016 45.100 0.092 0.000 0.854 250 G HN 0.882 nan 8.290 nan 0.000 0.485 251 Y N -0.684 119.623 120.300 0.011 0.000 2.689 251 Y HA 0.806 5.356 4.550 -0.000 0.000 0.333 251 Y C -0.507 175.411 175.900 0.031 0.000 1.190 251 Y CA -1.507 56.608 58.100 0.025 0.000 1.063 251 Y CB 1.325 39.810 38.460 0.041 0.000 1.294 251 Y HN 0.423 nan 8.280 nan 0.000 0.466 252 S N 1.677 117.446 115.700 0.114 0.000 2.619 252 S HA 0.458 4.928 4.470 -0.000 0.000 0.280 252 S C -1.983 172.759 174.600 0.236 0.000 1.150 252 S CA -0.548 57.674 58.200 0.037 0.000 0.978 252 S CB 1.538 64.752 63.200 0.024 0.000 1.041 252 S HN 0.748 nan 8.310 nan 0.000 0.485 253 L N 4.929 126.290 121.223 0.230 0.000 2.257 253 L HA 0.546 4.886 4.340 -0.000 0.000 0.290 253 L C -1.104 175.851 176.870 0.141 0.000 1.044 253 L CA -0.255 54.723 54.840 0.229 0.000 0.810 253 L CB 0.283 42.480 42.059 0.230 0.000 1.193 253 L HN 0.605 nan 8.230 nan 0.000 0.425 254 L N 5.487 126.844 121.223 0.224 0.000 2.268 254 L HA 0.428 4.768 4.340 -0.000 0.000 0.289 254 L C 0.427 177.434 176.870 0.229 0.000 1.064 254 L CA -0.516 54.518 54.840 0.324 0.000 0.824 254 L CB 0.442 42.919 42.059 0.697 0.000 1.202 254 L HN 0.881 nan 8.230 nan 0.000 0.433 255 S N 2.567 118.093 115.700 -0.291 0.000 3.581 255 S HA -0.146 4.324 4.470 -0.000 0.000 0.763 255 S C -0.791 173.659 174.600 -0.250 0.000 0.502 255 S CA -0.295 57.592 58.200 -0.522 0.000 1.470 255 S CB -0.384 62.847 63.200 0.052 0.000 0.924 255 S HN 0.887 nan 8.310 nan 0.000 1.062 256 D N 5.756 125.895 120.400 -0.434 0.000 2.378 256 D HA 0.455 5.095 4.640 -0.000 0.000 0.265 256 D C -1.675 174.288 176.300 -0.562 0.000 1.229 256 D CA -1.703 51.992 54.000 -0.508 0.000 0.914 256 D CB 1.365 41.988 40.800 -0.294 0.000 1.140 256 D HN 0.300 nan 8.370 nan 0.000 0.516 257 P HA 0.100 nan 4.420 nan 0.000 0.258 257 P C 0.967 177.994 177.300 -0.454 0.000 1.416 257 P CA -0.097 62.704 63.100 -0.499 0.000 0.927 257 P CB 0.722 32.183 31.700 -0.398 0.000 1.444 258 E N 1.313 121.195 120.200 -0.529 0.000 2.070 258 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 258 E C 1.368 177.904 176.600 -0.107 0.000 1.004 258 E CA 1.377 57.648 56.400 -0.214 0.000 0.805 258 E CB 0.138 29.760 29.700 -0.130 0.000 0.744 258 E HN 0.188 nan 8.360 nan 0.000 0.451 259 E N -0.047 120.080 120.200 -0.121 0.000 2.072 259 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 259 E C 2.348 178.905 176.600 -0.071 0.000 0.982 259 E CA 1.264 57.621 56.400 -0.070 0.000 0.803 259 E CB -0.154 29.509 29.700 -0.062 0.000 0.755 259 E HN 0.344 nan 8.360 nan 0.000 0.453 260 V N -0.536 119.314 119.914 -0.105 0.000 2.515 260 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 260 V C 1.964 177.990 176.094 -0.112 0.000 1.058 260 V CA 0.986 63.230 62.300 -0.093 0.000 1.064 260 V CB -0.491 31.277 31.823 -0.093 0.000 0.675 260 V HN 0.063 nan 8.190 nan 0.000 0.461 261 L N 0.624 121.740 121.223 -0.179 0.000 2.612 261 L HA 0.383 4.723 4.340 -0.000 0.000 0.230 261 L C 0.419 177.261 176.870 -0.046 0.000 1.140 261 L CA 0.856 55.559 54.840 -0.228 0.000 0.896 261 L CB -0.829 40.904 42.059 -0.544 0.000 1.065 261 L HN 0.476 nan 8.230 nan 0.000 0.447 262 D N -0.715 119.685 120.400 -0.000 0.000 3.118 262 D HA 0.065 4.705 4.640 -0.000 0.000 0.286 262 D C -0.047 176.279 176.300 0.043 0.000 1.255 262 D CA -0.000 54.039 54.000 0.066 0.000 0.748 262 D CB 0.572 41.429 40.800 0.095 0.000 1.332 262 D HN 0.106 nan 8.370 nan 0.000 0.575 263 T N -0.443 114.135 114.554 0.040 0.000 2.904 263 T HA 0.677 5.027 4.350 -0.000 0.000 0.290 263 T C -2.067 172.662 174.700 0.049 0.000 1.018 263 T CA -1.240 60.880 62.100 0.033 0.000 1.075 263 T CB 1.502 70.388 68.868 0.030 0.000 0.986 263 T HN 0.055 nan 8.240 nan 0.000 0.523 264 P HA 0.418 nan 4.420 nan 0.000 0.282 264 P C -1.051 176.280 177.300 0.053 0.000 1.249 264 P CA -0.701 62.424 63.100 0.041 0.000 0.806 264 P CB 0.869 32.586 31.700 0.028 0.000 0.984 265 A N 2.510 125.363 122.820 0.054 0.000 2.798 265 A HA 0.216 4.536 4.320 -0.000 0.000 0.316 265 A C 0.827 178.440 177.584 0.047 0.000 1.506 265 A CA -0.359 51.714 52.037 0.060 0.000 1.162 265 A CB -0.702 18.334 19.000 0.060 0.000 1.138 265 A HN 0.612 nan 8.150 nan 0.000 0.532 266 D N 1.093 121.521 120.400 0.047 0.000 2.441 266 D HA 0.245 4.885 4.640 -0.000 0.000 0.210 266 D C 0.941 177.265 176.300 0.039 0.000 1.102 266 D CA 0.946 54.968 54.000 0.037 0.000 0.840 266 D CB 0.370 41.189 40.800 0.031 0.000 0.990 266 D HN 0.826 nan 8.370 nan 0.000 0.505 267 G N 0.668 109.498 108.800 0.050 0.000 2.813 267 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.194 267 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.194 267 G C -0.017 174.922 174.900 0.064 0.000 1.010 267 G CA 0.110 45.240 45.100 0.050 0.000 0.771 267 G HN 0.611 nan 8.290 nan 0.000 0.485 268 Q N -0.474 119.370 119.800 0.073 0.000 2.423 268 Q HA 0.773 5.113 4.340 -0.000 0.000 0.278 268 Q C -1.169 174.918 176.000 0.145 0.000 1.097 268 Q CA -1.332 54.529 55.803 0.097 0.000 0.809 268 Q CB 2.318 31.092 28.738 0.060 0.000 1.391 268 Q HN 0.477 nan 8.270 nan 0.000 0.428 269 F N 1.722 121.680 119.950 0.014 0.000 2.405 269 F HA 0.507 5.033 4.527 -0.000 0.000 0.355 269 F C -0.909 174.891 175.800 -0.001 0.000 1.121 269 F CA -0.774 57.229 58.000 0.005 0.000 1.112 269 F CB 1.145 40.147 39.000 0.002 0.000 1.126 269 F HN 0.536 nan 8.300 nan 0.000 0.481 270 R N 7.355 127.530 120.500 -0.542 0.000 2.265 270 R HA 0.278 4.618 4.340 -0.000 0.000 0.328 270 R C 0.924 176.646 176.300 -0.963 0.000 0.969 270 R CA -0.516 55.232 56.100 -0.587 0.000 0.832 270 R CB 1.616 31.780 30.300 -0.227 0.000 1.139 270 R HN 0.955 nan 8.270 nan 0.000 0.457 271 M N 2.393 121.325 119.600 -1.113 0.000 2.288 271 M HA 0.039 4.519 4.480 -0.000 0.000 0.266 271 M C -0.601 175.311 176.300 -0.646 0.000 1.072 271 M CA 1.626 56.339 55.300 -0.977 0.000 1.132 271 M CB 0.532 32.559 32.600 -0.955 0.000 1.386 271 M HN 0.471 nan 8.290 nan 0.000 0.432 272 Y N -0.307 119.877 120.300 -0.194 0.000 2.499 272 Y HA 0.714 5.264 4.550 -0.000 0.000 0.347 272 Y C -0.573 175.263 175.900 -0.108 0.000 0.987 272 Y CA -1.213 56.823 58.100 -0.107 0.000 1.044 272 Y CB 1.771 40.197 38.460 -0.057 0.000 1.245 272 Y HN 0.037 nan 8.280 nan 0.000 0.461 273 A N 1.556 124.421 122.820 0.075 0.000 2.532 273 A HA 0.656 4.975 4.320 -0.000 0.000 0.296 273 A C 0.058 177.631 177.584 -0.018 0.000 1.058 273 A CA -0.168 51.873 52.037 0.008 0.000 0.729 273 A CB 0.599 19.584 19.000 -0.024 0.000 1.285 273 A HN 1.627 nan 8.150 nan 0.000 0.396 274 G N 1.248 110.031 108.800 -0.028 0.000 2.566 274 G HA2 0.484 4.443 3.960 -0.000 0.000 0.280 274 G HA3 0.484 4.443 3.960 -0.000 0.000 0.280 274 G C 1.456 176.315 174.900 -0.068 0.000 1.225 274 G CA 1.295 46.364 45.100 -0.053 0.000 0.966 274 G HN 3.245 nan 8.290 nan 0.000 0.560 275 G N -3.645 105.090 108.800 -0.109 0.000 2.663 275 G HA2 0.407 4.367 3.960 -0.000 0.000 0.686 275 G HA3 0.407 4.367 3.960 -0.000 0.000 0.686 275 G C -0.210 174.609 174.900 -0.135 0.000 1.288 275 G CA 0.394 45.408 45.100 -0.143 0.000 0.836 275 G HN 1.993 nan 8.290 nan 0.000 0.584 276 T N 1.819 116.255 114.554 -0.198 0.000 2.794 276 T HA 0.552 4.902 4.350 -0.000 0.000 0.296 276 T C 1.250 175.950 174.700 0.001 0.000 0.949 276 T CA 0.598 62.621 62.100 -0.129 0.000 1.101 276 T CB 0.727 69.441 68.868 -0.257 0.000 0.905 276 T HN 1.342 nan 8.240 nan 0.000 0.516 277 T N 2.016 116.547 114.554 -0.038 0.000 2.860 277 T HA 0.119 4.469 4.350 -0.000 0.000 0.299 277 T C 1.378 175.995 174.700 -0.139 0.000 1.045 277 T CA -0.606 61.453 62.100 -0.069 0.000 1.071 277 T CB 0.772 69.589 68.868 -0.085 0.000 0.985 277 T HN 0.592 nan 8.240 nan 0.000 0.537 278 Q N 0.168 119.827 119.800 -0.235 0.000 2.124 278 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 278 Q C 2.158 177.879 176.000 -0.465 0.000 0.977 278 Q CA 1.291 56.773 55.803 -0.535 0.000 0.850 278 Q CB -0.006 28.504 28.738 -0.380 0.000 0.901 278 Q HN 0.681 nan 8.270 nan 0.000 0.429 279 E N 0.829 120.888 120.200 -0.236 0.000 2.208 279 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 279 E C 1.544 178.055 176.600 -0.147 0.000 0.988 279 E CA 0.788 57.090 56.400 -0.163 0.000 0.828 279 E CB 0.010 29.648 29.700 -0.103 0.000 0.763 279 E HN 0.458 nan 8.360 nan 0.000 0.478 280 E N -0.181 119.940 120.200 -0.132 0.000 2.152 280 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 280 E C 1.892 178.447 176.600 -0.076 0.000 0.983 280 E CA 0.458 56.808 56.400 -0.084 0.000 0.818 280 E CB 0.059 29.732 29.700 -0.046 0.000 0.758 280 E HN 0.087 nan 8.360 nan 0.000 0.467 281 M N 0.631 120.147 119.600 -0.140 0.000 2.193 281 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 281 M C 1.759 177.984 176.300 -0.125 0.000 1.071 281 M CA 1.539 56.769 55.300 -0.118 0.000 1.140 281 M CB -0.241 32.144 32.600 -0.358 0.000 1.369 281 M HN -0.076 nan 8.290 nan 0.000 0.423 282 K N -0.620 119.671 120.400 -0.181 0.000 2.148 282 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 282 K C 1.368 177.896 176.600 -0.120 0.000 1.050 282 K CA 1.362 57.604 56.287 -0.074 0.000 0.942 282 K CB -0.118 32.355 32.500 -0.046 0.000 0.724 282 K HN 0.195 nan 8.250 nan 0.000 0.446 283 D N 0.332 120.651 120.400 -0.135 0.000 2.348 283 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 283 D C 1.544 177.728 176.300 -0.193 0.000 0.998 283 D CA 0.351 54.270 54.000 -0.136 0.000 0.873 283 D CB 0.199 40.940 40.800 -0.099 0.000 0.925 283 D HN 0.138 nan 8.370 nan 0.000 0.524 284 A N 1.117 123.780 122.820 -0.261 0.000 1.997 284 A HA -0.139 4.181 4.320 -0.000 0.000 0.221 284 A C -0.313 176.919 177.584 -0.586 0.000 1.172 284 A CA 1.196 53.005 52.037 -0.379 0.000 0.645 284 A CB -1.445 17.291 19.000 -0.440 0.000 0.813 284 A HN 0.278 nan 8.150 nan 0.000 0.454 285 P HA -0.033 nan 4.420 nan 0.000 0.233 285 P C 0.776 177.986 177.300 -0.149 0.000 1.167 285 P CA 0.655 63.331 63.100 -0.707 0.000 0.770 285 P CB -0.032 31.230 31.700 -0.730 0.000 0.837 286 N N -0.453 118.177 118.700 -0.117 0.000 2.461 286 N HA 0.044 4.784 4.740 -0.000 0.000 0.188 286 N C 0.734 176.260 175.510 0.028 0.000 1.134 286 N CA 0.132 53.166 53.050 -0.027 0.000 0.878 286 N CB -0.100 38.352 38.487 -0.059 0.000 0.972 286 N HN 0.085 nan 8.380 nan 0.000 0.456 287 A N 0.393 123.251 122.820 0.064 0.000 2.406 287 A HA 0.202 4.522 4.320 -0.000 0.000 0.243 287 A C 1.524 179.064 177.584 -0.074 0.000 1.082 287 A CA -0.331 51.705 52.037 -0.003 0.000 0.786 287 A CB 0.370 19.365 19.000 -0.008 0.000 1.029 287 A HN 0.156 nan 8.150 nan 0.000 0.495 288 L N 0.566 121.731 121.223 -0.097 0.000 2.042 288 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 288 L C 1.227 177.968 176.870 -0.215 0.000 1.076 288 L CA 1.522 56.302 54.840 -0.100 0.000 0.749 288 L CB -0.358 41.659 42.059 -0.070 0.000 0.893 288 L HN 0.842 nan 8.230 nan 0.000 0.432 289 N N -2.701 115.782 118.700 -0.362 0.000 3.387 289 N HA 0.255 4.995 4.740 -0.000 0.000 0.294 289 N C -1.431 173.865 175.510 -0.356 0.000 1.519 289 N CA -0.371 52.408 53.050 -0.450 0.000 0.875 289 N CB 1.595 39.982 38.487 -0.168 0.000 1.657 289 N HN -0.328 nan 8.380 nan 0.000 0.527 290 T N 0.272 114.762 114.554 -0.108 0.000 2.921 290 T HA 0.497 4.847 4.350 -0.000 0.000 0.297 290 T C -1.135 173.611 174.700 0.075 0.000 1.013 290 T CA -0.344 61.820 62.100 0.105 0.000 0.990 290 T CB 1.479 70.572 68.868 0.375 0.000 1.023 290 T HN 0.180 nan 8.240 nan 0.000 0.447 291 V N 4.949 124.913 119.914 0.084 0.000 2.357 291 V HA 0.449 4.569 4.120 -0.000 0.000 0.284 291 V C -0.266 175.866 176.094 0.063 0.000 1.018 291 V CA -0.807 61.534 62.300 0.068 0.000 0.841 291 V CB 1.177 33.058 31.823 0.097 0.000 0.991 291 V HN 0.708 nan 8.190 nan 0.000 0.437 292 L N 5.857 127.084 121.223 0.006 0.000 2.264 292 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 292 L C 1.050 177.874 176.870 -0.076 0.000 1.044 292 L CA -0.344 54.459 54.840 -0.062 0.000 0.807 292 L CB 1.188 43.182 42.059 -0.108 0.000 1.192 292 L HN 0.590 nan 8.230 nan 0.000 0.425 293 L N 2.262 123.422 121.223 -0.104 0.000 2.240 293 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 293 L C 0.825 177.606 176.870 -0.148 0.000 1.106 293 L CA 1.063 55.828 54.840 -0.125 0.000 0.793 293 L CB -0.131 41.831 42.059 -0.160 0.000 0.927 293 L HN 0.701 nan 8.230 nan 0.000 0.446 294 Q N 0.197 119.856 119.800 -0.235 0.000 2.965 294 Q HA 0.173 4.513 4.340 -0.000 0.000 0.288 294 Q C -1.730 174.067 176.000 -0.339 0.000 0.974 294 Q CA -1.481 54.163 55.803 -0.266 0.000 0.849 294 Q CB 1.210 29.705 28.738 -0.405 0.000 1.280 294 Q HN 0.070 nan 8.270 nan 0.000 0.441 295 P HA -0.186 nan 4.420 nan 0.000 0.218 295 P C 0.421 177.548 177.300 -0.288 0.000 1.148 295 P CA 1.234 64.166 63.100 -0.280 0.000 0.822 295 P CB 0.116 31.610 31.700 -0.343 0.000 0.784 296 W N 0.475 121.753 121.300 -0.035 0.000 2.611 296 W HA -0.062 4.598 4.660 -0.000 0.000 0.251 296 W C 2.161 178.716 176.519 0.059 0.000 1.265 296 W CA 0.878 58.255 57.345 0.052 0.000 1.295 296 W CB -0.755 28.796 29.460 0.151 0.000 1.129 296 W HN 0.317 nan 8.180 nan 0.000 0.630 297 H N -2.493 116.654 119.070 0.128 0.000 2.767 297 H HA 0.346 4.902 4.556 -0.000 0.000 0.260 297 H C 0.308 175.665 175.328 0.048 0.000 1.172 297 H CA -0.144 55.941 56.048 0.062 0.000 1.048 297 H CB -0.410 29.351 29.762 -0.002 0.000 1.697 297 H HN 0.170 nan 8.280 nan 0.000 0.606 298 L N 1.520 122.700 121.223 -0.071 0.000 3.255 298 L HA 0.233 4.573 4.340 -0.000 0.000 0.293 298 L C 1.008 177.866 176.870 -0.020 0.000 1.302 298 L CA -0.063 54.751 54.840 -0.044 0.000 0.977 298 L CB 0.750 42.702 42.059 -0.180 0.000 1.390 298 L HN 0.175 nan 8.230 nan 0.000 0.588 299 E N 0.589 120.794 120.200 0.007 0.000 2.072 299 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 299 E C 1.694 178.307 176.600 0.021 0.000 0.982 299 E CA 0.854 57.247 56.400 -0.012 0.000 0.803 299 E CB 0.316 30.019 29.700 0.005 0.000 0.755 299 E HN 0.357 nan 8.360 nan 0.000 0.453 300 K N 0.759 121.196 120.400 0.061 0.000 2.155 300 K HA -0.066 4.254 4.320 -0.000 0.000 0.203 300 K C 2.093 178.750 176.600 0.095 0.000 1.052 300 K CA 1.219 57.547 56.287 0.069 0.000 0.948 300 K CB 0.125 32.670 32.500 0.074 0.000 0.728 300 K HN -0.061 nan 8.250 nan 0.000 0.448 301 T N 0.970 115.600 114.554 0.128 0.000 2.737 301 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 301 T C 1.646 176.396 174.700 0.083 0.000 1.038 301 T CA 1.318 63.529 62.100 0.184 0.000 1.144 301 T CB -0.074 68.955 68.868 0.268 0.000 0.866 301 T HN 0.288 nan 8.240 nan 0.000 0.434 302 K N 1.065 121.479 120.400 0.023 0.000 2.103 302 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 302 K C 2.129 178.702 176.600 -0.044 0.000 1.048 302 K CA 1.315 57.583 56.287 -0.031 0.000 0.930 302 K CB -0.021 32.444 32.500 -0.059 0.000 0.716 302 K HN 0.243 nan 8.250 nan 0.000 0.444 303 K N -0.428 119.967 120.400 -0.009 0.000 2.097 303 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 303 K C 2.004 178.590 176.600 -0.024 0.000 1.050 303 K CA 1.325 57.606 56.287 -0.011 0.000 0.938 303 K CB -0.204 32.308 32.500 0.019 0.000 0.718 303 K HN 0.159 nan 8.250 nan 0.000 0.442 304 F N 1.241 121.101 119.950 -0.150 0.000 2.234 304 F HA -0.109 4.418 4.527 -0.000 0.000 0.296 304 F C 1.833 177.390 175.800 -0.405 0.000 1.089 304 F CA 0.740 58.604 58.000 -0.226 0.000 1.343 304 F CB -0.087 38.775 39.000 -0.230 0.000 1.040 304 F HN -0.311 nan 8.300 nan 0.000 0.498 305 V N 0.525 120.096 119.914 -0.571 0.000 2.358 305 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 305 V C 2.208 178.068 176.094 -0.390 0.000 1.047 305 V CA 2.232 64.057 62.300 -0.792 0.000 1.035 305 V CB -0.609 30.946 31.823 -0.445 0.000 0.658 305 V HN 0.331 nan 8.190 nan 0.000 0.452 306 E N 0.213 120.283 120.200 -0.216 0.000 2.076 306 E HA -0.070 4.280 4.350 -0.000 0.000 0.190 306 E C 2.315 178.834 176.600 -0.135 0.000 0.979 306 E CA 1.130 57.466 56.400 -0.106 0.000 0.807 306 E CB -0.393 29.269 29.700 -0.063 0.000 0.761 306 E HN 0.619 nan 8.360 nan 0.000 0.454 307 G N 0.498 109.191 108.800 -0.178 0.000 2.394 307 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 307 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 307 G C 1.629 176.401 174.900 -0.213 0.000 1.176 307 G CA 1.119 46.130 45.100 -0.149 0.000 0.786 307 G HN 0.148 nan 8.290 nan 0.000 0.533 308 T N 0.047 114.338 114.554 -0.439 0.000 2.735 308 T HA -0.052 4.297 4.350 -0.000 0.000 0.256 308 T C 1.940 176.503 174.700 -0.228 0.000 1.042 308 T CA 0.934 62.742 62.100 -0.487 0.000 1.147 308 T CB -0.193 67.951 68.868 -1.206 0.000 0.865 308 T HN 0.392 nan 8.240 nan 0.000 0.421 309 W N 1.330 122.297 121.300 -0.555 0.000 2.800 309 W HA 0.333 4.993 4.660 -0.000 0.000 0.249 309 W C 0.884 177.143 176.519 -0.433 0.000 1.294 309 W CA -0.453 56.580 57.345 -0.521 0.000 1.402 309 W CB -0.760 28.239 29.460 -0.770 0.000 1.126 309 W HN 0.214 nan 8.180 nan 0.000 0.652 310 K N -0.972 119.384 120.400 -0.072 0.000 3.160 310 K HA -0.248 4.072 4.320 -0.000 0.000 0.280 310 K C -0.329 176.334 176.600 0.106 0.000 1.154 310 K CA 0.666 56.950 56.287 -0.006 0.000 0.822 310 K CB -2.194 30.308 32.500 0.003 0.000 1.239 310 K HN 0.393 nan 8.250 nan 0.000 0.489 311 H N 0.277 119.401 119.070 0.090 0.000 2.525 311 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 311 H C 0.000 175.349 175.328 0.035 0.000 1.109 311 H CA -0.638 55.464 56.048 0.091 0.000 1.352 311 H CB 0.886 30.750 29.762 0.170 0.000 1.461 311 H HN 0.096 nan 8.280 nan 0.000 0.533 312 E N 2.701 122.989 120.200 0.145 0.000 2.127 312 E HA 0.100 4.450 4.350 -0.000 0.000 0.262 312 E C -0.533 176.086 176.600 0.032 0.000 1.144 312 E CA -0.412 56.023 56.400 0.059 0.000 1.144 312 E CB 0.539 30.257 29.700 0.031 0.000 1.297 312 E HN 0.289 nan 8.360 nan 0.000 0.469 313 V N 3.925 123.862 119.914 0.039 0.000 2.555 313 V HA -0.073 4.047 4.120 -0.000 0.000 0.299 313 V C -1.833 174.245 176.094 -0.026 0.000 1.012 313 V CA -0.671 61.634 62.300 0.009 0.000 1.180 313 V CB -0.476 31.346 31.823 -0.001 0.000 0.887 313 V HN 0.432 nan 8.190 nan 0.000 0.476 314 P HA 0.149 nan 4.420 nan 0.000 0.269 314 P C -0.610 176.648 177.300 -0.069 0.000 1.209 314 P CA -0.294 62.776 63.100 -0.051 0.000 0.776 314 P CB 0.416 32.082 31.700 -0.056 0.000 0.876 315 K N 2.478 122.832 120.400 -0.076 0.000 2.183 315 K HA 0.346 4.666 4.320 -0.000 0.000 0.272 315 K C -0.694 175.837 176.600 -0.115 0.000 1.113 315 K CA -0.096 56.129 56.287 -0.104 0.000 0.949 315 K CB -0.191 32.256 32.500 -0.088 0.000 1.365 315 K HN 0.236 nan 8.250 nan 0.000 0.420 316 L N 2.554 123.698 121.223 -0.132 0.000 2.385 316 L HA 0.355 4.695 4.340 -0.000 0.000 0.273 316 L C -0.294 176.445 176.870 -0.219 0.000 0.990 316 L CA -0.528 54.227 54.840 -0.142 0.000 0.821 316 L CB 1.583 43.617 42.059 -0.042 0.000 1.279 316 L HN 0.512 nan 8.230 nan 0.000 0.412 317 N N 2.585 121.046 118.700 -0.399 0.000 2.408 317 N HA 0.308 5.048 4.740 -0.000 0.000 0.260 317 N C -0.046 175.297 175.510 -0.279 0.000 1.242 317 N CA -0.566 52.153 53.050 -0.553 0.000 0.959 317 N CB 1.290 38.815 38.487 -1.604 0.000 1.201 317 N HN 0.575 nan 8.380 nan 0.000 0.511 318 I N 2.271 122.773 120.570 -0.114 0.000 2.775 318 I HA -0.015 4.155 4.170 -0.000 0.000 0.290 318 I C -1.749 174.433 176.117 0.107 0.000 1.203 318 I CA -1.108 60.208 61.300 0.027 0.000 1.433 318 I CB 0.752 38.839 38.000 0.145 0.000 1.354 318 I HN 0.283 nan 8.210 nan 0.000 0.579 319 P HA 0.186 nan 4.420 nan 0.000 0.231 319 P C -1.058 176.185 177.300 -0.094 0.000 1.811 319 P CA 0.137 63.189 63.100 -0.080 0.000 1.051 319 P CB -0.026 31.400 31.700 -0.456 0.000 1.951 320 M N 1.383 121.015 119.600 0.054 0.000 2.393 320 M HA 0.612 5.092 4.480 -0.000 0.000 0.316 320 M C 0.479 176.680 176.300 -0.164 0.000 1.087 320 M CA 0.076 55.322 55.300 -0.091 0.000 0.937 320 M CB 2.660 35.248 32.600 -0.021 0.000 1.668 320 M HN 0.384 nan 8.290 nan 0.000 0.438 321 G N 1.089 109.640 108.800 -0.416 0.000 2.710 321 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.668 321 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.668 321 G C -0.397 174.409 174.900 -0.157 0.000 1.320 321 G CA -0.428 44.427 45.100 -0.409 0.000 0.860 321 G HN 0.694 nan 8.290 nan 0.000 0.538 322 L N -0.079 121.158 121.223 0.024 0.000 2.005 322 L HA 0.147 4.487 4.340 -0.000 0.000 0.207 322 L C 2.482 179.443 176.870 0.152 0.000 1.072 322 L CA 3.025 57.956 54.840 0.151 0.000 0.744 322 L CB -0.794 41.358 42.059 0.155 0.000 0.895 322 L HN 0.651 nan 8.230 nan 0.000 0.433 323 D N -1.257 119.182 120.400 0.066 0.000 2.117 323 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 323 D C 1.959 178.442 176.300 0.304 0.000 0.982 323 D CA 1.187 55.266 54.000 0.133 0.000 0.828 323 D CB -0.332 40.508 40.800 0.067 0.000 0.967 323 D HN 0.416 nan 8.370 nan 0.000 0.464 324 W N 1.084 122.413 121.300 0.048 0.000 2.678 324 W HA 0.074 4.734 4.660 -0.000 0.000 0.256 324 W C 2.021 178.550 176.519 0.016 0.000 1.280 324 W CA 0.395 57.760 57.345 0.034 0.000 1.345 324 W CB -1.141 28.329 29.460 0.016 0.000 1.118 324 W HN -0.048 nan 8.180 nan 0.000 0.629 325 T N -0.326 114.326 114.554 0.164 0.000 2.894 325 T HA -0.109 4.241 4.350 -0.000 0.000 0.258 325 T C 1.221 175.978 174.700 0.095 0.000 1.043 325 T CA 1.367 63.450 62.100 -0.028 0.000 1.141 325 T CB -0.151 68.452 68.868 -0.441 0.000 0.873 325 T HN -0.112 nan 8.240 nan 0.000 0.449 326 D N 1.641 122.155 120.400 0.190 0.000 2.104 326 D HA -0.098 4.541 4.640 -0.000 0.000 0.194 326 D C 2.176 178.574 176.300 0.163 0.000 0.994 326 D CA 1.150 55.279 54.000 0.216 0.000 0.830 326 D CB -0.243 40.679 40.800 0.203 0.000 0.959 326 D HN 0.497 nan 8.370 nan 0.000 0.452 327 E N -0.438 119.872 120.200 0.183 0.000 2.051 327 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 327 E C 1.987 178.648 176.600 0.102 0.000 0.991 327 E CA 0.517 56.998 56.400 0.135 0.000 0.799 327 E CB -0.242 29.548 29.700 0.150 0.000 0.748 327 E HN 0.257 nan 8.360 nan 0.000 0.449 328 F N 1.468 121.420 119.950 0.002 0.000 2.095 328 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 328 F C 1.938 177.717 175.800 -0.035 0.000 1.104 328 F CA 1.343 59.321 58.000 -0.036 0.000 1.232 328 F CB -0.157 38.808 39.000 -0.058 0.000 0.987 328 F HN -0.089 nan 8.300 nan 0.000 0.475 329 L N -0.326 120.913 121.223 0.028 0.000 2.083 329 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 329 L C 2.526 179.333 176.870 -0.105 0.000 1.083 329 L CA 1.485 56.287 54.840 -0.065 0.000 0.752 329 L CB -0.573 41.538 42.059 0.086 0.000 0.899 329 L HN 0.244 nan 8.230 nan 0.000 0.433 330 M N -0.901 118.674 119.600 -0.043 0.000 2.319 330 M HA -0.174 4.306 4.480 -0.000 0.000 0.265 330 M C 2.183 178.430 176.300 -0.088 0.000 1.068 330 M CA 1.286 56.562 55.300 -0.039 0.000 1.118 330 M CB -0.179 32.423 32.600 0.003 0.000 1.395 330 M HN -0.001 nan 8.290 nan 0.000 0.435 331 K N 0.465 120.780 120.400 -0.141 0.000 2.116 331 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 331 K C 1.586 178.052 176.600 -0.223 0.000 1.052 331 K CA 0.905 57.094 56.287 -0.164 0.000 0.952 331 K CB -0.202 32.194 32.500 -0.173 0.000 0.729 331 K HN 0.077 nan 8.250 nan 0.000 0.446 332 V N 0.267 119.967 119.914 -0.356 0.000 2.548 332 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 332 V C 2.234 178.217 176.094 -0.184 0.000 1.055 332 V CA 1.823 63.917 62.300 -0.342 0.000 1.065 332 V CB -0.202 31.283 31.823 -0.564 0.000 0.681 332 V HN 0.434 nan 8.190 nan 0.000 0.462 333 S N -0.538 115.074 115.700 -0.147 0.000 2.368 333 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 333 S C 2.065 176.626 174.600 -0.065 0.000 1.029 333 S CA 1.928 60.080 58.200 -0.080 0.000 0.988 333 S CB -0.207 62.961 63.200 -0.054 0.000 0.838 333 S HN 0.712 nan 8.310 nan 0.000 0.462 334 E N 0.308 120.465 120.200 -0.072 0.000 2.038 334 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 334 E C 2.042 178.610 176.600 -0.053 0.000 1.000 334 E CA 1.652 58.020 56.400 -0.054 0.000 0.803 334 E CB -0.279 29.388 29.700 -0.055 0.000 0.750 334 E HN 0.654 nan 8.360 nan 0.000 0.448 335 I N 0.983 121.510 120.570 -0.071 0.000 2.252 335 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 335 I C 2.727 178.813 176.117 -0.051 0.000 1.102 335 I CA 1.404 62.666 61.300 -0.064 0.000 1.385 335 I CB -0.280 37.669 38.000 -0.085 0.000 1.064 335 I HN 0.183 nan 8.210 nan 0.000 0.414 336 S N 0.069 115.738 115.700 -0.053 0.000 2.425 336 S HA 0.118 4.588 4.470 -0.000 0.000 0.225 336 S C 1.833 176.418 174.600 -0.024 0.000 1.024 336 S CA 0.626 58.806 58.200 -0.033 0.000 0.951 336 S CB 0.255 63.437 63.200 -0.031 0.000 0.796 336 S HN 0.595 nan 8.310 nan 0.000 0.498 337 G N 0.387 109.170 108.800 -0.028 0.000 2.175 337 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.244 337 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.244 337 G C -0.140 174.751 174.900 -0.014 0.000 0.982 337 G CA 0.030 45.119 45.100 -0.019 0.000 0.641 337 G HN 0.517 nan 8.290 nan 0.000 0.527 338 Q N 1.379 121.169 119.800 -0.016 0.000 2.279 338 Q HA 0.384 4.724 4.340 -0.000 0.000 0.256 338 Q C -2.037 173.957 176.000 -0.011 0.000 0.937 338 Q CA -1.581 54.216 55.803 -0.009 0.000 0.933 338 Q CB 1.803 30.539 28.738 -0.004 0.000 1.189 338 Q HN 0.396 nan 8.270 nan 0.000 0.417 339 P HA 0.179 nan 4.420 nan 0.000 0.274 339 P C -0.186 177.117 177.300 0.006 0.000 1.237 339 P CA -0.254 62.846 63.100 -0.000 0.000 0.793 339 P CB 0.927 32.629 31.700 0.003 0.000 0.977 340 I N 3.519 124.096 120.570 0.012 0.000 2.379 340 I HA 0.142 4.312 4.170 -0.000 0.000 0.290 340 I C -1.270 174.863 176.117 0.028 0.000 1.063 340 I CA -1.901 59.414 61.300 0.026 0.000 1.351 340 I CB 0.438 38.463 38.000 0.041 0.000 1.410 340 I HN 0.245 nan 8.210 nan 0.000 0.505 341 P HA 0.075 nan 4.420 nan 0.000 0.272 341 P C 0.448 177.765 177.300 0.028 0.000 1.230 341 P CA -0.334 62.782 63.100 0.027 0.000 0.788 341 P CB 1.104 32.821 31.700 0.027 0.000 0.949 342 A N 1.978 124.809 122.820 0.019 0.000 2.024 342 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 342 A C 2.271 179.864 177.584 0.014 0.000 1.164 342 A CA 2.224 54.269 52.037 0.013 0.000 0.643 342 A CB -1.569 17.436 19.000 0.008 0.000 0.806 342 A HN 0.709 nan 8.150 nan 0.000 0.451 343 S N -0.135 115.579 115.700 0.022 0.000 2.368 343 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 343 S C 1.847 176.470 174.600 0.038 0.000 1.029 343 S CA 1.370 59.586 58.200 0.025 0.000 0.988 343 S CB -0.631 62.587 63.200 0.030 0.000 0.838 343 S HN 0.456 nan 8.310 nan 0.000 0.462 344 L N 1.091 122.351 121.223 0.061 0.000 2.156 344 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 344 L C 2.889 179.799 176.870 0.067 0.000 1.095 344 L CA 1.346 56.255 54.840 0.114 0.000 0.770 344 L CB -1.016 41.133 42.059 0.149 0.000 0.914 344 L HN 0.374 nan 8.230 nan 0.000 0.439 345 T N -0.568 114.002 114.554 0.027 0.000 2.746 345 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 345 T C 1.920 176.581 174.700 -0.065 0.000 1.039 345 T CA 1.388 63.478 62.100 -0.016 0.000 1.142 345 T CB -0.061 68.806 68.868 -0.003 0.000 0.866 345 T HN 0.219 nan 8.240 nan 0.000 0.444 346 K N 0.912 121.287 120.400 -0.041 0.000 2.097 346 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 346 K C 2.341 178.892 176.600 -0.080 0.000 1.050 346 K CA 1.201 57.458 56.287 -0.051 0.000 0.938 346 K CB -0.032 32.453 32.500 -0.024 0.000 0.718 346 K HN 0.369 nan 8.250 nan 0.000 0.442 347 E N 0.567 120.726 120.200 -0.070 0.000 2.153 347 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 347 E C 2.109 178.533 176.600 -0.293 0.000 0.988 347 E CA 0.801 57.154 56.400 -0.079 0.000 0.811 347 E CB 0.077 29.812 29.700 0.058 0.000 0.746 347 E HN 0.220 nan 8.360 nan 0.000 0.466 348 R N -0.317 119.856 120.500 -0.545 0.000 2.075 348 R HA -0.079 4.260 4.340 -0.000 0.000 0.232 348 R C 2.301 178.352 176.300 -0.414 0.000 1.126 348 R CA 1.393 56.931 56.100 -0.936 0.000 0.963 348 R CB -0.411 29.392 30.300 -0.827 0.000 0.858 348 R HN 0.215 nan 8.270 nan 0.000 0.435 349 G N 0.198 108.853 108.800 -0.241 0.000 2.443 349 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 349 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 349 G C 1.398 176.236 174.900 -0.103 0.000 1.131 349 G CA 0.216 45.234 45.100 -0.137 0.000 0.775 349 G HN 0.305 nan 8.290 nan 0.000 0.547 350 R N -0.836 119.599 120.500 -0.107 0.000 2.153 350 R HA 0.136 4.476 4.340 -0.000 0.000 0.218 350 R C 2.326 178.597 176.300 -0.049 0.000 1.072 350 R CA 0.570 56.633 56.100 -0.061 0.000 0.990 350 R CB -0.259 30.014 30.300 -0.045 0.000 0.889 350 R HN 0.376 nan 8.270 nan 0.000 0.452 351 L N 0.384 121.558 121.223 -0.081 0.000 2.072 351 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 351 L C 1.864 178.732 176.870 -0.003 0.000 1.079 351 L CA 1.551 56.378 54.840 -0.022 0.000 0.752 351 L CB -0.260 41.788 42.059 -0.019 0.000 0.906 351 L HN -0.137 nan 8.230 nan 0.000 0.436 352 V N 0.240 120.126 119.914 -0.046 0.000 2.407 352 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 352 V C 2.330 178.413 176.094 -0.018 0.000 1.055 352 V CA 1.946 64.229 62.300 -0.028 0.000 1.049 352 V CB -0.921 30.871 31.823 -0.052 0.000 0.662 352 V HN 0.596 nan 8.190 nan 0.000 0.455 353 D N -0.242 120.144 120.400 -0.022 0.000 2.117 353 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 353 D C 2.172 178.480 176.300 0.013 0.000 0.987 353 D CA 1.627 55.621 54.000 -0.009 0.000 0.829 353 D CB -0.140 40.652 40.800 -0.013 0.000 0.961 353 D HN 0.361 nan 8.370 nan 0.000 0.460 354 M N -0.681 118.930 119.600 0.018 0.000 2.213 354 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 354 M C 2.225 178.554 176.300 0.049 0.000 1.062 354 M CA 1.153 56.474 55.300 0.036 0.000 1.105 354 M CB -0.147 32.477 32.600 0.040 0.000 1.385 354 M HN 0.180 nan 8.290 nan 0.000 0.417 355 M N -0.549 119.076 119.600 0.042 0.000 2.132 355 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 355 M C 2.353 178.688 176.300 0.058 0.000 1.065 355 M CA 2.047 57.367 55.300 0.034 0.000 1.122 355 M CB -0.602 32.004 32.600 0.011 0.000 1.365 355 M HN 0.422 nan 8.290 nan 0.000 0.411 356 T N -2.540 112.034 114.554 0.034 0.000 2.904 356 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 356 T C 1.309 176.122 174.700 0.189 0.000 1.059 356 T CA 1.262 63.387 62.100 0.041 0.000 1.137 356 T CB -0.382 68.472 68.868 -0.025 0.000 0.879 356 T HN 0.204 nan 8.240 nan 0.000 0.467 357 D N 1.629 122.101 120.400 0.119 0.000 2.144 357 D HA 0.025 4.665 4.640 -0.000 0.000 0.200 357 D C 2.002 178.380 176.300 0.130 0.000 0.978 357 D CA 1.143 55.210 54.000 0.111 0.000 0.833 357 D CB -0.185 40.658 40.800 0.071 0.000 0.961 357 D HN 0.459 nan 8.370 nan 0.000 0.470 358 S N -0.269 115.512 115.700 0.135 0.000 2.540 358 S HA -0.042 4.428 4.470 -0.000 0.000 0.218 358 S C 1.600 176.262 174.600 0.103 0.000 0.977 358 S CA -0.403 57.876 58.200 0.133 0.000 0.918 358 S CB -0.051 63.210 63.200 0.102 0.000 0.806 358 S HN 0.457 nan 8.310 nan 0.000 0.496 359 H N 1.319 120.396 119.070 0.011 0.000 2.457 359 H HA -0.048 4.508 4.556 -0.000 0.000 0.297 359 H C 1.430 176.745 175.328 -0.020 0.000 1.092 359 H CA 1.706 57.746 56.048 -0.013 0.000 1.309 359 H CB -0.869 28.872 29.762 -0.035 0.000 1.382 359 H HN 0.169 nan 8.280 nan 0.000 0.535 360 T N 0.444 114.576 114.554 -0.703 0.000 2.788 360 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 360 T C 1.372 175.785 174.700 -0.478 0.000 1.044 360 T CA 1.649 63.331 62.100 -0.696 0.000 1.139 360 T CB -0.341 68.028 68.868 -0.832 0.000 0.867 360 T HN 0.552 nan 8.240 nan 0.000 0.454 361 W N 0.333 121.569 121.300 -0.105 0.000 2.737 361 W HA 0.357 5.017 4.660 -0.000 0.000 0.262 361 W C 1.808 178.328 176.519 0.003 0.000 1.282 361 W CA -0.298 57.024 57.345 -0.038 0.000 1.386 361 W CB -0.124 29.313 29.460 -0.039 0.000 1.099 361 W HN 0.159 nan 8.180 nan 0.000 0.621 362 L N -0.727 120.613 121.223 0.196 0.000 2.270 362 L HA -0.025 4.315 4.340 -0.000 0.000 0.210 362 L C 1.438 178.365 176.870 0.096 0.000 1.104 362 L CA 0.398 55.315 54.840 0.129 0.000 0.804 362 L CB -0.769 41.309 42.059 0.033 0.000 0.937 362 L HN -0.026 nan 8.230 nan 0.000 0.450 363 H N 0.933 119.998 119.070 -0.008 0.000 3.070 363 H HA -0.024 4.532 4.556 -0.000 0.000 0.313 363 H C 1.096 176.444 175.328 0.034 0.000 0.997 363 H CA 1.196 57.233 56.048 -0.018 0.000 1.438 363 H CB 0.745 30.503 29.762 -0.007 0.000 1.455 363 H HN 0.367 nan 8.280 nan 0.000 0.575 364 G N 4.863 113.444 108.800 -0.365 0.000 2.189 364 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 364 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 364 G C 0.242 175.135 174.900 -0.013 0.000 0.975 364 G CA 0.217 45.232 45.100 -0.142 0.000 0.644 364 G HN 0.531 nan 8.290 nan 0.000 0.537 365 K N 1.189 121.608 120.400 0.031 0.000 2.379 365 K HA 0.262 4.582 4.320 -0.000 0.000 0.284 365 K C 0.960 177.566 176.600 0.010 0.000 1.044 365 K CA -0.051 56.253 56.287 0.028 0.000 0.974 365 K CB 0.531 33.101 32.500 0.116 0.000 0.962 365 K HN 0.534 nan 8.250 nan 0.000 0.474 366 R N 2.921 123.336 120.500 -0.141 0.000 2.349 366 R HA 0.436 4.776 4.340 -0.000 0.000 0.299 366 R C -0.346 175.794 176.300 -0.268 0.000 1.027 366 R CA -0.421 55.622 56.100 -0.094 0.000 0.958 366 R CB 0.504 30.754 30.300 -0.083 0.000 1.047 366 R HN 0.275 nan 8.270 nan 0.000 0.468 367 F N 0.345 120.318 119.950 0.038 0.000 2.565 367 F HA 0.539 5.066 4.527 -0.000 0.000 0.313 367 F C -0.035 175.828 175.800 0.106 0.000 1.091 367 F CA -0.984 57.072 58.000 0.093 0.000 0.915 367 F CB 2.107 41.153 39.000 0.078 0.000 1.208 367 F HN 0.541 nan 8.300 nan 0.000 0.453 368 A N 3.804 126.856 122.820 0.388 0.000 2.304 368 A HA 0.939 5.259 4.320 -0.000 0.000 0.323 368 A C -1.103 176.763 177.584 0.471 0.000 1.195 368 A CA -0.549 51.744 52.037 0.428 0.000 0.826 368 A CB 0.776 20.041 19.000 0.442 0.000 1.184 368 A HN 0.856 nan 8.150 nan 0.000 0.496 369 L N -0.766 120.738 121.223 0.469 0.000 2.479 369 L HA 1.060 5.400 4.340 -0.000 0.000 0.255 369 L C -0.888 176.335 176.870 0.587 0.000 1.026 369 L CA -0.984 54.109 54.840 0.423 0.000 0.842 369 L CB 1.569 43.742 42.059 0.189 0.000 1.444 369 L HN 0.986 nan 8.230 nan 0.000 0.409 370 W N 0.182 121.622 121.300 0.233 0.000 2.961 370 W HA 0.972 5.632 4.660 -0.000 0.000 0.368 370 W C -0.352 176.361 176.519 0.323 0.000 1.213 370 W CA -0.210 57.283 57.345 0.247 0.000 1.173 370 W CB 0.722 30.313 29.460 0.220 0.000 1.487 370 W HN 1.034 nan 8.180 nan 0.000 0.585 371 G N 0.231 109.356 108.800 0.542 0.000 2.320 371 G HA2 0.193 4.153 3.960 -0.000 0.000 0.274 371 G HA3 0.193 4.153 3.960 -0.000 0.000 0.274 371 G C -1.787 173.327 174.900 0.357 0.000 1.324 371 G CA -0.816 44.570 45.100 0.477 0.000 0.957 371 G HN 0.613 nan 8.290 nan 0.000 0.481 372 D N 1.732 122.336 120.400 0.341 0.000 2.339 372 D HA 0.393 5.033 4.640 -0.000 0.000 0.245 372 D C -0.759 175.588 176.300 0.077 0.000 1.115 372 D CA -1.164 52.924 54.000 0.147 0.000 0.917 372 D CB 1.590 42.465 40.800 0.126 0.000 1.192 372 D HN 0.096 nan 8.370 nan 0.000 0.428 373 P HA -0.209 nan 4.420 nan 0.000 0.216 373 P C 0.566 177.932 177.300 0.109 0.000 1.154 373 P CA 1.463 64.237 63.100 -0.542 0.000 0.865 373 P CB 0.469 31.642 31.700 -0.879 0.000 0.789 374 D N -1.255 119.311 120.400 0.277 0.000 2.103 374 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 374 D C 1.963 178.487 176.300 0.373 0.000 0.978 374 D CA 0.722 54.958 54.000 0.393 0.000 0.829 374 D CB -0.679 40.322 40.800 0.334 0.000 0.981 374 D HN 0.103 nan 8.370 nan 0.000 0.464 375 F N 2.261 122.335 119.950 0.206 0.000 2.046 375 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 375 F C 2.236 178.154 175.800 0.197 0.000 1.123 375 F CA 1.124 59.228 58.000 0.174 0.000 1.199 375 F CB -0.753 38.334 39.000 0.145 0.000 0.972 375 F HN -0.214 nan 8.300 nan 0.000 0.474 376 V N 1.102 121.005 119.914 -0.018 0.000 2.720 376 V HA -0.262 3.858 4.120 -0.000 0.000 0.256 376 V C 2.283 178.457 176.094 0.134 0.000 1.082 376 V CA 2.062 64.332 62.300 -0.050 0.000 1.101 376 V CB -0.393 31.563 31.823 0.221 0.000 0.693 376 V HN 0.632 nan 8.190 nan 0.000 0.479 377 M N -0.224 119.569 119.600 0.322 0.000 2.123 377 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 377 M C 1.969 178.425 176.300 0.261 0.000 1.069 377 M CA 2.140 57.645 55.300 0.342 0.000 1.133 377 M CB -0.511 32.385 32.600 0.493 0.000 1.356 377 M HN 0.411 nan 8.290 nan 0.000 0.415 378 G N 0.452 109.420 108.800 0.279 0.000 2.448 378 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 378 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 378 G C 1.377 176.223 174.900 -0.091 0.000 1.135 378 G CA 0.067 45.262 45.100 0.159 0.000 0.784 378 G HN 0.356 nan 8.290 nan 0.000 0.543 379 L N 0.841 121.961 121.223 -0.172 0.000 2.056 379 L HA 0.028 4.368 4.340 -0.000 0.000 0.207 379 L C 2.977 179.753 176.870 -0.156 0.000 1.078 379 L CA 1.189 55.891 54.840 -0.232 0.000 0.749 379 L CB -0.712 41.069 42.059 -0.462 0.000 0.901 379 L HN 0.138 nan 8.230 nan 0.000 0.433 380 V N -0.027 119.813 119.914 -0.122 0.000 2.343 380 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 380 V C 2.657 178.657 176.094 -0.157 0.000 1.051 380 V CA 1.620 63.858 62.300 -0.104 0.000 1.036 380 V CB -0.508 31.288 31.823 -0.045 0.000 0.654 380 V HN 0.420 nan 8.190 nan 0.000 0.451 381 K N -1.046 119.208 120.400 -0.245 0.000 2.097 381 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 381 K C 2.151 178.598 176.600 -0.255 0.000 1.050 381 K CA 1.503 57.560 56.287 -0.385 0.000 0.938 381 K CB -0.218 31.704 32.500 -0.963 0.000 0.718 381 K HN 0.410 nan 8.250 nan 0.000 0.442 382 F N 1.600 121.330 119.950 -0.367 0.000 2.146 382 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 382 F C 1.820 177.468 175.800 -0.253 0.000 1.096 382 F CA 0.802 58.630 58.000 -0.286 0.000 1.275 382 F CB -0.435 38.417 39.000 -0.246 0.000 1.008 382 F HN -0.060 nan 8.300 nan 0.000 0.480 383 L N -0.313 120.711 121.223 -0.331 0.000 2.079 383 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 383 L C 2.225 178.880 176.870 -0.359 0.000 1.081 383 L CA 1.313 55.899 54.840 -0.423 0.000 0.752 383 L CB -1.281 40.579 42.059 -0.332 0.000 0.896 383 L HN 0.145 nan 8.230 nan 0.000 0.433 384 L N -0.872 120.196 121.223 -0.257 0.000 2.109 384 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 384 L C 2.402 179.130 176.870 -0.237 0.000 1.086 384 L CA 1.433 56.161 54.840 -0.187 0.000 0.760 384 L CB -0.677 41.326 42.059 -0.092 0.000 0.910 384 L HN 0.349 nan 8.230 nan 0.000 0.437 385 E N -1.254 118.801 120.200 -0.241 0.000 2.274 385 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 385 E C 1.554 177.988 176.600 -0.277 0.000 0.996 385 E CA 0.349 56.634 56.400 -0.193 0.000 0.840 385 E CB 0.052 29.693 29.700 -0.100 0.000 0.772 385 E HN 0.195 nan 8.360 nan 0.000 0.491 386 L N -0.662 120.302 121.223 -0.432 0.000 2.567 386 L HA 0.182 4.521 4.340 -0.000 0.000 0.225 386 L C 1.388 178.022 176.870 -0.394 0.000 1.119 386 L CA 1.071 55.654 54.840 -0.428 0.000 0.871 386 L CB -0.068 41.642 42.059 -0.581 0.000 1.036 386 L HN 0.227 nan 8.230 nan 0.000 0.459 387 G N -1.484 106.934 108.800 -0.635 0.000 2.132 387 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.234 387 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.234 387 G C 0.425 174.772 174.900 -0.921 0.000 0.989 387 G CA 0.199 44.636 45.100 -1.105 0.000 0.676 387 G HN 0.323 nan 8.290 nan 0.000 0.522 388 C N 0.272 119.253 119.300 -0.532 0.000 2.335 388 C HA 0.695 5.155 4.460 -0.000 0.000 0.363 388 C C 0.534 175.486 174.990 -0.063 0.000 1.198 388 C CA -0.767 58.140 59.018 -0.186 0.000 2.279 388 C CB 1.372 29.092 27.740 -0.033 0.000 2.334 388 C HN 0.506 nan 8.230 nan 0.000 0.559 389 E N 2.467 122.719 120.200 0.087 0.000 2.073 389 E HA 0.213 4.563 4.350 -0.000 0.000 0.269 389 E C -2.404 174.272 176.600 0.127 0.000 0.917 389 E CA -1.333 55.128 56.400 0.101 0.000 0.757 389 E CB 1.141 30.884 29.700 0.073 0.000 1.111 389 E HN 0.443 nan 8.360 nan 0.000 0.410 390 P HA 0.047 nan 4.420 nan 0.000 0.232 390 P C 0.876 178.209 177.300 0.056 0.000 1.814 390 P CA -0.064 63.095 63.100 0.098 0.000 1.085 390 P CB 0.547 32.272 31.700 0.043 0.000 1.901 391 V N 1.605 121.512 119.914 -0.011 0.000 2.287 391 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 391 V C 1.045 177.033 176.094 -0.177 0.000 1.053 391 V CA 1.729 63.921 62.300 -0.181 0.000 1.027 391 V CB -1.075 30.531 31.823 -0.361 0.000 0.646 391 V HN 0.553 nan 8.190 nan 0.000 0.447 392 H N -0.622 118.583 119.070 0.224 0.000 2.708 392 H HA 0.535 5.091 4.556 -0.000 0.000 0.320 392 H C -0.659 174.866 175.328 0.328 0.000 0.991 392 H CA -0.771 55.464 56.048 0.311 0.000 1.243 392 H CB 0.937 30.842 29.762 0.239 0.000 1.446 392 H HN 0.239 nan 8.280 nan 0.000 0.502 393 I N 4.498 125.347 120.570 0.464 0.000 2.354 393 I HA 0.201 4.371 4.170 -0.000 0.000 0.286 393 I C -0.287 176.129 176.117 0.499 0.000 1.007 393 I CA -0.378 61.162 61.300 0.399 0.000 1.167 393 I CB 1.633 39.791 38.000 0.263 0.000 1.320 393 I HN 0.236 nan 8.210 nan 0.000 0.458 394 L N 7.208 128.716 121.223 0.475 0.000 2.333 394 L HA 0.629 4.969 4.340 -0.000 0.000 0.280 394 L C -1.055 176.038 176.870 0.370 0.000 1.004 394 L CA -0.176 54.916 54.840 0.419 0.000 0.820 394 L CB 1.572 43.810 42.059 0.299 0.000 1.247 394 L HN 0.772 nan 8.230 nan 0.000 0.416 395 C N 4.447 123.913 119.300 0.275 0.000 2.949 395 C HA 0.311 4.771 4.460 -0.000 0.000 0.306 395 C C 1.381 176.439 174.990 0.114 0.000 1.045 395 C CA -0.603 58.477 59.018 0.104 0.000 1.414 395 C CB -0.223 27.328 27.740 -0.314 0.000 1.854 395 C HN 1.021 nan 8.230 nan 0.000 0.487 396 H N 3.804 122.913 119.070 0.065 0.000 2.321 396 H HA -0.112 4.444 4.556 -0.000 0.000 0.295 396 H C 1.579 176.910 175.328 0.006 0.000 1.102 396 H CA 2.709 58.786 56.048 0.048 0.000 1.266 396 H CB 0.266 30.061 29.762 0.054 0.000 1.363 396 H HN 0.843 nan 8.280 nan 0.000 0.492 397 N N 0.369 119.127 118.700 0.097 0.000 2.346 397 N HA 0.104 4.844 4.740 -0.000 0.000 0.225 397 N C 0.540 175.977 175.510 -0.121 0.000 1.144 397 N CA 0.374 53.403 53.050 -0.034 0.000 0.837 397 N CB -0.283 38.144 38.487 -0.099 0.000 1.069 397 N HN 0.206 nan 8.380 nan 0.000 0.487 398 G N 0.265 108.973 108.800 -0.154 0.000 2.437 398 G HA2 0.429 4.389 3.960 -0.000 0.000 0.319 398 G HA3 0.429 4.389 3.960 -0.000 0.000 0.319 398 G C -0.195 174.701 174.900 -0.007 0.000 1.158 398 G CA -0.645 44.286 45.100 -0.282 0.000 0.899 398 G HN 0.498 nan 8.290 nan 0.000 0.502 399 N N -0.847 117.900 118.700 0.078 0.000 2.592 399 N HA 0.294 5.034 4.740 -0.000 0.000 0.292 399 N C 0.844 176.472 175.510 0.198 0.000 1.260 399 N CA -0.976 52.163 53.050 0.149 0.000 0.910 399 N CB 1.521 40.107 38.487 0.164 0.000 1.257 399 N HN 0.354 nan 8.380 nan 0.000 0.569 400 K N -0.294 120.201 120.400 0.158 0.000 2.057 400 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 400 K C 1.631 178.306 176.600 0.125 0.000 1.049 400 K CA 1.259 57.624 56.287 0.130 0.000 0.931 400 K CB -0.119 32.441 32.500 0.102 0.000 0.714 400 K HN 0.429 nan 8.250 nan 0.000 0.440 401 R N -0.654 119.954 120.500 0.181 0.000 2.115 401 R HA -0.163 4.177 4.340 -0.000 0.000 0.230 401 R C 2.011 178.355 176.300 0.074 0.000 1.111 401 R CA 1.390 57.620 56.100 0.217 0.000 0.976 401 R CB -0.254 30.281 30.300 0.392 0.000 0.870 401 R HN 0.378 nan 8.270 nan 0.000 0.445 402 W N 2.406 123.516 121.300 -0.316 0.000 2.407 402 W HA -0.130 4.530 4.660 -0.000 0.000 0.305 402 W C 2.156 178.427 176.519 -0.414 0.000 1.196 402 W CA 1.163 57.998 57.345 -0.849 0.000 1.311 402 W CB -0.038 28.970 29.460 -0.753 0.000 1.135 402 W HN -0.133 nan 8.180 nan 0.000 0.514 403 K N 0.685 121.022 120.400 -0.104 0.000 2.103 403 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 403 K C 2.075 178.506 176.600 -0.281 0.000 1.048 403 K CA 1.529 57.679 56.287 -0.228 0.000 0.930 403 K CB -0.163 32.348 32.500 0.018 0.000 0.716 403 K HN -0.080 nan 8.250 nan 0.000 0.444 404 K N 0.466 120.766 120.400 -0.167 0.000 2.002 404 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 404 K C 2.217 178.724 176.600 -0.155 0.000 1.048 404 K CA 1.513 57.735 56.287 -0.107 0.000 0.930 404 K CB -0.643 31.850 32.500 -0.013 0.000 0.714 404 K HN 0.274 nan 8.250 nan 0.000 0.438 405 A N 1.144 123.842 122.820 -0.204 0.000 1.908 405 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 405 A C 2.515 179.941 177.584 -0.263 0.000 1.181 405 A CA 1.810 53.746 52.037 -0.168 0.000 0.627 405 A CB -0.662 18.272 19.000 -0.110 0.000 0.818 405 A HN 0.091 nan 8.150 nan 0.000 0.445 406 V N 0.288 119.879 119.914 -0.538 0.000 2.548 406 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 406 V C 1.960 177.884 176.094 -0.284 0.000 1.055 406 V CA 2.002 64.000 62.300 -0.504 0.000 1.065 406 V CB -0.708 30.545 31.823 -0.949 0.000 0.681 406 V HN 0.453 nan 8.190 nan 0.000 0.462 407 D N 0.637 120.886 120.400 -0.252 0.000 2.178 407 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 407 D C 2.201 178.443 176.300 -0.096 0.000 0.974 407 D CA 1.465 55.373 54.000 -0.153 0.000 0.841 407 D CB -0.119 40.604 40.800 -0.128 0.000 0.953 407 D HN 0.438 nan 8.370 nan 0.000 0.478 408 A N 0.349 123.119 122.820 -0.083 0.000 1.969 408 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 408 A C 2.309 179.888 177.584 -0.009 0.000 1.169 408 A CA 0.604 52.622 52.037 -0.032 0.000 0.635 408 A CB -0.478 18.517 19.000 -0.009 0.000 0.810 408 A HN 0.178 nan 8.150 nan 0.000 0.445 409 I N -0.464 120.097 120.570 -0.014 0.000 2.202 409 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 409 I C 2.238 178.348 176.117 -0.012 0.000 1.091 409 I CA 1.087 62.399 61.300 0.020 0.000 1.368 409 I CB -0.269 37.751 38.000 0.032 0.000 1.058 409 I HN 0.265 nan 8.210 nan 0.000 0.410 410 L N 0.411 121.609 121.223 -0.042 0.000 2.201 410 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 410 L C 2.591 179.442 176.870 -0.031 0.000 1.105 410 L CA 0.948 55.765 54.840 -0.038 0.000 0.775 410 L CB -0.561 41.464 42.059 -0.057 0.000 0.913 410 L HN 0.206 nan 8.230 nan 0.000 0.440 411 A N -0.310 122.491 122.820 -0.033 0.000 2.167 411 A HA 0.166 4.486 4.320 -0.000 0.000 0.214 411 A C 2.259 179.832 177.584 -0.019 0.000 1.151 411 A CA 1.050 53.069 52.037 -0.029 0.000 0.735 411 A CB -0.328 18.655 19.000 -0.029 0.000 0.802 411 A HN 0.335 nan 8.150 nan 0.000 0.467 412 A N -1.185 121.631 122.820 -0.007 0.000 2.275 412 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 412 A C 1.021 178.605 177.584 0.000 0.000 1.201 412 A CA 0.816 52.854 52.037 0.003 0.000 0.843 412 A CB -0.157 18.857 19.000 0.023 0.000 0.873 412 A HN 0.471 nan 8.150 nan 0.000 0.492 413 S N -0.850 114.846 115.700 -0.007 0.000 2.541 413 S HA 0.529 4.999 4.470 -0.000 0.000 0.280 413 S C -2.320 172.239 174.600 -0.068 0.000 1.112 413 S CA -1.340 56.857 58.200 -0.004 0.000 0.925 413 S CB 1.742 64.980 63.200 0.062 0.000 1.067 413 S HN 0.012 nan 8.310 nan 0.000 0.479 414 P HA -0.053 nan 4.420 nan 0.000 0.222 414 P C 0.604 177.689 177.300 -0.358 0.000 1.147 414 P CA 1.084 64.001 63.100 -0.305 0.000 0.790 414 P CB -0.135 31.312 31.700 -0.422 0.000 0.780 415 Y N -0.011 120.257 120.300 -0.053 0.000 2.571 415 Y HA 0.131 4.681 4.550 -0.000 0.000 0.294 415 Y C 2.512 178.376 175.900 -0.060 0.000 1.141 415 Y CA 0.819 58.877 58.100 -0.070 0.000 1.308 415 Y CB -0.703 37.703 38.460 -0.089 0.000 1.002 415 Y HN -0.007 nan 8.280 nan 0.000 0.551 416 G N -0.686 108.138 108.800 0.040 0.000 3.434 416 G HA2 0.002 3.962 3.960 -0.000 0.000 0.258 416 G HA3 0.002 3.962 3.960 -0.000 0.000 0.258 416 G C 1.258 176.144 174.900 -0.023 0.000 1.128 416 G CA -0.218 44.888 45.100 0.009 0.000 0.792 416 G HN 0.028 nan 8.290 nan 0.000 0.539 417 K N 0.574 120.951 120.400 -0.039 0.000 2.525 417 K HA 0.099 4.418 4.320 -0.000 0.000 0.192 417 K C 0.481 177.061 176.600 -0.034 0.000 1.029 417 K CA 0.143 56.402 56.287 -0.046 0.000 1.029 417 K CB 0.287 32.747 32.500 -0.066 0.000 0.814 417 K HN 0.166 nan 8.250 nan 0.000 0.503 418 N N -0.193 118.492 118.700 -0.025 0.000 2.241 418 N HA 0.134 4.874 4.740 -0.000 0.000 0.238 418 N C -0.991 174.507 175.510 -0.020 0.000 1.244 418 N CA -0.070 52.968 53.050 -0.020 0.000 0.880 418 N CB 1.140 39.615 38.487 -0.020 0.000 1.179 418 N HN 0.049 nan 8.380 nan 0.000 0.513 419 A N 0.208 123.017 122.820 -0.018 0.000 2.312 419 A HA 0.774 5.094 4.320 -0.000 0.000 0.328 419 A C 0.031 177.600 177.584 -0.024 0.000 1.158 419 A CA -0.297 51.735 52.037 -0.009 0.000 0.821 419 A CB 0.542 19.538 19.000 -0.007 0.000 1.170 419 A HN 0.146 nan 8.150 nan 0.000 0.490 420 T N -1.167 113.382 114.554 -0.007 0.000 2.912 420 T HA 0.622 4.971 4.350 -0.000 0.000 0.299 420 T C -0.855 173.716 174.700 -0.216 0.000 1.052 420 T CA -0.634 61.367 62.100 -0.165 0.000 0.996 420 T CB 1.218 69.939 68.868 -0.245 0.000 1.070 420 T HN 0.570 nan 8.240 nan 0.000 0.465 421 V N 2.784 122.501 119.914 -0.328 0.000 2.435 421 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 421 V C -1.333 174.582 176.094 -0.298 0.000 1.030 421 V CA -0.833 61.374 62.300 -0.154 0.000 0.881 421 V CB 0.798 32.560 31.823 -0.101 0.000 0.983 421 V HN 0.910 nan 8.190 nan 0.000 0.445 422 Y N 5.126 125.539 120.300 0.188 0.000 2.338 422 Y HA 0.665 5.215 4.550 -0.000 0.000 0.328 422 Y C 0.263 176.264 175.900 0.168 0.000 0.965 422 Y CA -0.808 57.386 58.100 0.156 0.000 1.208 422 Y CB 1.381 39.932 38.460 0.152 0.000 1.132 422 Y HN 0.617 nan 8.280 nan 0.000 0.469 423 I N -1.085 119.639 120.570 0.256 0.000 2.607 423 I HA 0.879 5.049 4.170 -0.000 0.000 0.305 423 I C 1.013 177.211 176.117 0.136 0.000 0.995 423 I CA -0.809 60.613 61.300 0.203 0.000 1.148 423 I CB 1.871 39.994 38.000 0.206 0.000 1.323 423 I HN 0.734 nan 8.210 nan 0.000 0.461 424 G N 2.678 111.556 108.800 0.130 0.000 2.189 424 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.267 424 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.267 424 G C 0.165 175.004 174.900 -0.102 0.000 0.975 424 G CA 0.084 45.252 45.100 0.113 0.000 0.644 424 G HN 0.643 nan 8.290 nan 0.000 0.537 425 K N 1.084 121.379 120.400 -0.175 0.000 2.118 425 K HA 0.576 4.896 4.320 -0.000 0.000 0.254 425 K C 0.207 176.555 176.600 -0.420 0.000 0.961 425 K CA -0.061 56.059 56.287 -0.278 0.000 0.876 425 K CB 1.606 33.948 32.500 -0.264 0.000 1.077 425 K HN 0.489 nan 8.250 nan 0.000 0.440 426 D N -0.797 119.485 120.400 -0.197 0.000 2.616 426 D HA 0.228 4.868 4.640 -0.000 0.000 0.260 426 D C 1.053 177.232 176.300 -0.200 0.000 1.158 426 D CA -0.749 53.082 54.000 -0.282 0.000 1.085 426 D CB 0.403 41.065 40.800 -0.230 0.000 1.222 426 D HN 0.239 nan 8.370 nan 0.000 0.626 427 L N -0.899 120.195 121.223 -0.214 0.000 2.465 427 L HA 0.045 4.384 4.340 -0.000 0.000 0.224 427 L C 1.604 178.383 176.870 -0.152 0.000 1.145 427 L CA 0.321 54.993 54.840 -0.281 0.000 0.834 427 L CB -0.240 41.629 42.059 -0.315 0.000 0.944 427 L HN 0.488 nan 8.230 nan 0.000 0.451 428 W N 0.396 121.518 121.300 -0.296 0.000 2.576 428 W HA -0.084 4.575 4.660 -0.000 0.000 0.270 428 W C 2.080 178.417 176.519 -0.304 0.000 1.255 428 W CA 0.901 58.084 57.345 -0.270 0.000 1.314 428 W CB 0.014 29.283 29.460 -0.318 0.000 1.101 428 W HN 0.286 nan 8.180 nan 0.000 0.595 429 H N -0.092 118.780 119.070 -0.329 0.000 2.333 429 H HA -0.184 4.372 4.556 -0.000 0.000 0.302 429 H C 2.108 177.211 175.328 -0.375 0.000 1.075 429 H CA 1.828 57.516 56.048 -0.601 0.000 1.348 429 H CB -0.298 28.951 29.762 -0.856 0.000 1.393 429 H HN 0.013 nan 8.280 nan 0.000 0.509 430 L N 1.042 122.136 121.223 -0.215 0.000 2.141 430 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 430 L C 2.327 179.042 176.870 -0.259 0.000 1.094 430 L CA 1.351 56.049 54.840 -0.237 0.000 0.763 430 L CB -0.440 41.459 42.059 -0.267 0.000 0.908 430 L HN 0.087 nan 8.230 nan 0.000 0.437 431 R N -1.137 119.171 120.500 -0.322 0.000 2.091 431 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 431 R C 2.187 178.339 176.300 -0.247 0.000 1.136 431 R CA 1.695 57.584 56.100 -0.352 0.000 0.959 431 R CB -0.168 29.798 30.300 -0.557 0.000 0.856 431 R HN 0.432 nan 8.270 nan 0.000 0.437 432 S N 0.894 116.456 115.700 -0.229 0.000 2.368 432 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 432 S C 1.891 176.456 174.600 -0.058 0.000 1.029 432 S CA 0.983 59.145 58.200 -0.064 0.000 0.988 432 S CB -0.134 63.066 63.200 -0.001 0.000 0.838 432 S HN 0.274 nan 8.310 nan 0.000 0.462 433 L N 1.586 122.707 121.223 -0.170 0.000 2.131 433 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 433 L C 2.368 179.060 176.870 -0.296 0.000 1.092 433 L CA 1.005 55.617 54.840 -0.380 0.000 0.759 433 L CB -0.756 40.843 42.059 -0.768 0.000 0.903 433 L HN 0.335 nan 8.230 nan 0.000 0.435 434 V N -5.412 114.384 119.914 -0.196 0.000 3.129 434 V HA -0.091 4.029 4.120 -0.000 0.000 0.259 434 V C 2.020 178.051 176.094 -0.105 0.000 1.116 434 V CA 0.830 63.076 62.300 -0.089 0.000 1.127 434 V CB -0.706 31.044 31.823 -0.121 0.000 0.742 434 V HN 0.203 nan 8.190 nan 0.000 0.474 435 F N 2.405 122.293 119.950 -0.104 0.000 2.179 435 F HA -0.044 4.483 4.527 -0.000 0.000 0.292 435 F C 2.892 178.632 175.800 -0.101 0.000 1.089 435 F CA 1.790 59.714 58.000 -0.126 0.000 1.295 435 F CB -0.182 38.680 39.000 -0.230 0.000 1.041 435 F HN 0.300 nan 8.300 nan 0.000 0.487 436 T N -3.466 111.149 114.554 0.102 0.000 2.985 436 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 436 T C 0.463 175.198 174.700 0.058 0.000 1.076 436 T CA 1.048 63.169 62.100 0.035 0.000 1.135 436 T CB -0.084 68.774 68.868 -0.017 0.000 0.890 436 T HN 0.024 nan 8.240 nan 0.000 0.480 437 D N 0.792 121.249 120.400 0.095 0.000 2.621 437 D HA 0.206 4.846 4.640 -0.000 0.000 0.274 437 D C -0.734 175.699 176.300 0.222 0.000 1.215 437 D CA -0.515 53.584 54.000 0.165 0.000 0.810 437 D CB 0.374 41.323 40.800 0.247 0.000 1.248 437 D HN 0.213 nan 8.370 nan 0.000 0.517 438 K N 2.690 123.169 120.400 0.132 0.000 2.453 438 K HA 0.109 4.429 4.320 -0.000 0.000 0.280 438 K C -2.253 174.378 176.600 0.052 0.000 1.045 438 K CA -0.586 55.756 56.287 0.092 0.000 1.059 438 K CB 0.579 33.134 32.500 0.093 0.000 0.901 438 K HN 0.266 nan 8.250 nan 0.000 0.475 439 P HA 0.224 nan 4.420 nan 0.000 0.288 439 P C -0.513 176.705 177.300 -0.137 0.000 1.297 439 P CA -0.518 62.554 63.100 -0.045 0.000 0.864 439 P CB 1.076 32.782 31.700 0.011 0.000 1.237 440 D N -0.819 119.439 120.400 -0.237 0.000 2.137 440 D HA 0.076 4.716 4.640 -0.000 0.000 0.202 440 D C 0.337 176.254 176.300 -0.639 0.000 0.970 440 D CA 1.645 55.416 54.000 -0.381 0.000 0.837 440 D CB -0.013 40.622 40.800 -0.275 0.000 0.981 440 D HN 0.293 nan 8.370 nan 0.000 0.475 441 F N -1.026 118.713 119.950 -0.350 0.000 2.664 441 F HA 0.454 4.981 4.527 -0.000 0.000 0.317 441 F C -0.239 175.600 175.800 0.065 0.000 1.108 441 F CA -0.979 56.938 58.000 -0.138 0.000 0.957 441 F CB 1.513 40.456 39.000 -0.094 0.000 1.365 441 F HN -0.431 nan 8.300 nan 0.000 0.475 442 M N 2.269 122.117 119.600 0.414 0.000 2.465 442 M HA 0.572 5.052 4.480 -0.000 0.000 0.316 442 M C -1.400 175.100 176.300 0.333 0.000 1.121 442 M CA -0.458 55.088 55.300 0.410 0.000 0.934 442 M CB 2.510 35.373 32.600 0.439 0.000 1.692 442 M HN 0.330 nan 8.290 nan 0.000 0.444 443 I N 2.080 122.776 120.570 0.210 0.000 2.420 443 I HA 0.736 4.906 4.170 -0.000 0.000 0.282 443 I C 0.156 176.034 176.117 -0.398 0.000 1.019 443 I CA -0.294 61.005 61.300 -0.003 0.000 1.130 443 I CB 1.491 39.491 38.000 0.001 0.000 1.262 443 I HN 0.875 nan 8.210 nan 0.000 0.454 444 G N 4.448 112.856 108.800 -0.654 0.000 2.561 444 G HA2 0.301 4.261 3.960 -0.000 0.000 0.310 444 G HA3 0.301 4.261 3.960 -0.000 0.000 0.310 444 G C -1.422 173.063 174.900 -0.692 0.000 1.292 444 G CA -0.679 43.517 45.100 -1.507 0.000 0.811 444 G HN 0.548 nan 8.290 nan 0.000 0.482 445 N N -0.987 117.407 118.700 -0.510 0.000 2.431 445 N HA 0.318 5.058 4.740 -0.000 0.000 0.289 445 N C 1.201 176.682 175.510 -0.049 0.000 1.277 445 N CA 0.241 53.182 53.050 -0.182 0.000 0.972 445 N CB 0.303 38.696 38.487 -0.157 0.000 1.143 445 N HN 0.232 nan 8.380 nan 0.000 0.578 446 S N -1.743 113.802 115.700 -0.258 0.000 2.469 446 S HA -0.083 4.387 4.470 -0.000 0.000 0.238 446 S C 1.201 175.737 174.600 -0.107 0.000 0.998 446 S CA 0.637 58.690 58.200 -0.244 0.000 0.957 446 S CB -0.824 62.140 63.200 -0.394 0.000 0.764 446 S HN 0.484 nan 8.310 nan 0.000 0.514 447 Y N 0.970 121.387 120.300 0.196 0.000 2.497 447 Y HA 0.004 4.553 4.550 -0.000 0.000 0.292 447 Y C 2.479 178.581 175.900 0.337 0.000 1.137 447 Y CA 0.286 58.578 58.100 0.319 0.000 1.285 447 Y CB -0.299 38.337 38.460 0.294 0.000 0.991 447 Y HN 0.367 nan 8.280 nan 0.000 0.556 448 G N 0.640 109.777 108.800 0.562 0.000 2.848 448 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.208 448 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.208 448 G C 1.533 176.561 174.900 0.213 0.000 1.152 448 G CA 0.289 45.689 45.100 0.500 0.000 0.789 448 G HN 0.477 nan 8.290 nan 0.000 0.531 449 K N -0.331 120.065 120.400 -0.005 0.000 2.211 449 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 449 K C 1.678 178.144 176.600 -0.222 0.000 1.050 449 K CA 0.756 56.923 56.287 -0.199 0.000 0.945 449 K CB -0.394 31.860 32.500 -0.411 0.000 0.732 449 K HN 0.333 nan 8.250 nan 0.000 0.451 450 F N 1.514 121.549 119.950 0.142 0.000 2.293 450 F HA 0.112 4.639 4.527 -0.000 0.000 0.297 450 F C 2.114 177.980 175.800 0.110 0.000 1.089 450 F CA 0.351 58.428 58.000 0.130 0.000 1.377 450 F CB -0.100 38.994 39.000 0.157 0.000 1.051 450 F HN -0.131 nan 8.300 nan 0.000 0.511 451 I N -0.105 120.597 120.570 0.220 0.000 2.353 451 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 451 I C 2.535 178.671 176.117 0.031 0.000 1.119 451 I CA 1.213 62.561 61.300 0.080 0.000 1.417 451 I CB -0.525 37.475 38.000 -0.000 0.000 1.078 451 I HN 0.203 nan 8.210 nan 0.000 0.421 452 Q N 1.210 121.044 119.800 0.056 0.000 2.124 452 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 452 Q C 2.455 178.488 176.000 0.054 0.000 0.977 452 Q CA 1.446 57.267 55.803 0.030 0.000 0.850 452 Q CB -0.076 28.682 28.738 0.033 0.000 0.901 452 Q HN 0.297 nan 8.270 nan 0.000 0.429 453 R N 0.250 120.804 120.500 0.090 0.000 2.115 453 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 453 R C 0.903 177.316 176.300 0.188 0.000 1.111 453 R CA 1.630 57.801 56.100 0.118 0.000 0.976 453 R CB -0.040 30.339 30.300 0.132 0.000 0.870 453 R HN 0.363 nan 8.270 nan 0.000 0.445 454 D N -0.238 120.305 120.400 0.239 0.000 2.123 454 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 454 D C 1.886 178.513 176.300 0.544 0.000 0.976 454 D CA 2.087 56.354 54.000 0.446 0.000 0.831 454 D CB -0.397 40.676 40.800 0.455 0.000 0.974 454 D HN 0.410 nan 8.370 nan 0.000 0.469 455 T N -0.295 114.341 114.554 0.137 0.000 2.821 455 T HA -0.091 4.258 4.350 -0.000 0.000 0.267 455 T C 1.975 176.829 174.700 0.256 0.000 1.046 455 T CA 0.425 62.547 62.100 0.036 0.000 1.139 455 T CB -0.402 68.332 68.868 -0.224 0.000 0.871 455 T HN 0.070 nan 8.240 nan 0.000 0.454 456 L N 0.535 121.873 121.223 0.191 0.000 2.156 456 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 456 L C 2.472 179.472 176.870 0.215 0.000 1.095 456 L CA 1.896 56.838 54.840 0.169 0.000 0.770 456 L CB -0.950 41.171 42.059 0.103 0.000 0.914 456 L HN 0.528 nan 8.230 nan 0.000 0.439 457 H N 0.279 119.429 119.070 0.133 0.000 2.423 457 H HA -0.209 4.347 4.556 -0.000 0.000 0.297 457 H C 2.116 177.499 175.328 0.091 0.000 1.075 457 H CA 1.381 57.426 56.048 -0.006 0.000 1.342 457 H CB 0.393 29.986 29.762 -0.283 0.000 1.395 457 H HN 0.311 nan 8.280 nan 0.000 0.530 458 K N 0.190 120.757 120.400 0.279 0.000 2.211 458 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 458 K C 0.160 176.950 176.600 0.316 0.000 1.050 458 K CA 0.865 57.335 56.287 0.305 0.000 0.945 458 K CB 0.243 32.973 32.500 0.383 0.000 0.732 458 K HN 0.458 nan 8.250 nan 0.000 0.451 459 G N -0.415 108.609 108.800 0.374 0.000 2.337 459 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.310 459 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.310 459 G C -0.514 174.499 174.900 0.188 0.000 1.534 459 G CA -0.728 44.563 45.100 0.317 0.000 0.982 459 G HN -0.170 nan 8.290 nan 0.000 0.672 460 K N -0.052 120.370 120.400 0.036 0.000 2.103 460 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 460 K C 2.166 178.681 176.600 -0.142 0.000 1.048 460 K CA 2.103 58.369 56.287 -0.035 0.000 0.930 460 K CB -0.082 32.391 32.500 -0.045 0.000 0.716 460 K HN 0.675 nan 8.250 nan 0.000 0.444 461 E N -0.921 119.081 120.200 -0.330 0.000 2.478 461 E HA -0.070 4.280 4.350 -0.000 0.000 0.198 461 E C 1.079 177.322 176.600 -0.595 0.000 1.046 461 E CA 0.656 56.754 56.400 -0.503 0.000 0.870 461 E CB -0.201 29.101 29.700 -0.663 0.000 0.818 461 E HN 0.304 nan 8.360 nan 0.000 0.527 462 F N 0.593 120.545 119.950 0.003 0.000 2.704 462 F HA 0.177 4.704 4.527 -0.000 0.000 0.304 462 F C 0.934 176.708 175.800 -0.045 0.000 1.094 462 F CA -0.606 57.400 58.000 0.010 0.000 1.275 462 F CB 0.393 39.454 39.000 0.101 0.000 1.073 462 F HN -0.098 nan 8.300 nan 0.000 0.586 463 E N 2.120 122.351 120.200 0.052 0.000 2.417 463 E HA 0.132 4.482 4.350 -0.000 0.000 0.261 463 E C -0.852 175.683 176.600 -0.109 0.000 1.000 463 E CA -0.049 56.342 56.400 -0.015 0.000 0.919 463 E CB 0.771 30.454 29.700 -0.027 0.000 0.955 463 E HN -0.084 nan 8.360 nan 0.000 0.455 464 V N 7.850 127.694 119.914 -0.117 0.000 2.304 464 V HA 0.270 4.390 4.120 -0.000 0.000 0.278 464 V C -2.240 173.793 176.094 -0.102 0.000 1.018 464 V CA -1.897 60.304 62.300 -0.165 0.000 0.814 464 V CB 1.186 32.939 31.823 -0.117 0.000 1.021 464 V HN 0.734 nan 8.190 nan 0.000 0.440 465 P HA 0.180 nan 4.420 nan 0.000 0.271 465 P C -0.581 176.855 177.300 0.227 0.000 1.216 465 P CA -0.349 62.773 63.100 0.036 0.000 0.776 465 P CB 0.734 32.466 31.700 0.054 0.000 0.881 466 L N 4.796 126.132 121.223 0.190 0.000 2.305 466 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 466 L C -0.730 176.243 176.870 0.172 0.000 1.085 466 L CA 0.016 54.973 54.840 0.195 0.000 0.813 466 L CB -0.021 42.121 42.059 0.139 0.000 1.157 466 L HN 0.261 nan 8.230 nan 0.000 0.436 467 I N 5.600 126.263 120.570 0.155 0.000 2.354 467 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 467 I C 0.134 176.263 176.117 0.020 0.000 1.007 467 I CA -0.612 60.733 61.300 0.076 0.000 1.167 467 I CB 1.005 39.039 38.000 0.057 0.000 1.320 467 I HN 0.535 nan 8.210 nan 0.000 0.458 468 R N 7.047 127.552 120.500 0.008 0.000 2.441 468 R HA 0.449 4.789 4.340 -0.000 0.000 0.300 468 R C -0.881 175.435 176.300 0.027 0.000 1.284 468 R CA 0.319 56.411 56.100 -0.014 0.000 1.069 468 R CB -0.085 30.208 30.300 -0.012 0.000 1.087 468 R HN 0.528 nan 8.270 nan 0.000 0.519 469 I N 1.952 122.537 120.570 0.025 0.000 2.534 469 I HA 0.571 4.741 4.170 -0.000 0.000 0.288 469 I C 0.568 176.754 176.117 0.116 0.000 1.077 469 I CA -0.557 60.840 61.300 0.163 0.000 1.051 469 I CB 2.151 40.268 38.000 0.196 0.000 1.234 469 I HN 0.754 nan 8.210 nan 0.000 0.425 470 G N 5.230 114.054 108.800 0.040 0.000 2.250 470 G HA2 0.096 4.056 3.960 -0.000 0.000 0.252 470 G HA3 0.096 4.056 3.960 -0.000 0.000 0.252 470 G C -2.022 172.684 174.900 -0.323 0.000 1.325 470 G CA -0.699 44.193 45.100 -0.348 0.000 1.091 470 G HN 0.533 nan 8.290 nan 0.000 0.476 471 F N 2.410 122.087 119.950 -0.456 0.000 2.581 471 F HA 0.773 5.300 4.527 -0.000 0.000 0.311 471 F C -2.427 173.134 175.800 -0.398 0.000 1.113 471 F CA -1.831 55.833 58.000 -0.560 0.000 0.935 471 F CB 2.787 41.480 39.000 -0.512 0.000 1.232 471 F HN 0.491 nan 8.300 nan 0.000 0.445 472 P HA 0.443 nan 4.420 nan 0.000 0.287 472 P C -1.127 175.525 177.300 -1.080 0.000 1.270 472 P CA -0.428 61.617 63.100 -1.757 0.000 0.844 472 P CB 2.452 32.546 31.700 -2.676 0.000 1.068 473 I N 2.955 123.204 120.570 -0.536 0.000 2.390 473 I HA 0.256 4.426 4.170 -0.000 0.000 0.283 473 I C 0.560 176.538 176.117 -0.231 0.000 1.016 473 I CA -0.410 60.684 61.300 -0.344 0.000 1.151 473 I CB 0.609 38.535 38.000 -0.123 0.000 1.293 473 I HN 0.347 nan 8.210 nan 0.000 0.458 474 F N 2.477 122.286 119.950 -0.236 0.000 2.622 474 F HA -0.021 4.506 4.527 -0.000 0.000 0.288 474 F C 1.757 177.462 175.800 -0.159 0.000 1.120 474 F CA -0.246 57.622 58.000 -0.221 0.000 1.423 474 F CB 0.438 39.290 39.000 -0.247 0.000 1.127 474 F HN 0.475 nan 8.300 nan 0.000 0.588 475 D N -0.571 119.861 120.400 0.053 0.000 2.328 475 D HA 0.046 4.686 4.640 -0.000 0.000 0.221 475 D C 0.540 176.875 176.300 0.059 0.000 1.072 475 D CA 0.263 54.285 54.000 0.038 0.000 0.850 475 D CB 0.055 40.851 40.800 -0.006 0.000 0.922 475 D HN -0.039 nan 8.370 nan 0.000 0.516 476 R N -0.183 120.347 120.500 0.051 0.000 2.837 476 R HA 0.415 4.755 4.340 -0.000 0.000 0.271 476 R C -0.562 175.794 176.300 0.093 0.000 0.993 476 R CA -0.617 55.541 56.100 0.096 0.000 0.931 476 R CB 1.227 31.552 30.300 0.042 0.000 1.206 476 R HN 0.251 nan 8.270 nan 0.000 0.474 477 H N 1.723 120.727 119.070 -0.111 0.000 2.457 477 H HA 0.231 4.787 4.556 -0.000 0.000 0.335 477 H C -0.088 175.111 175.328 -0.215 0.000 1.115 477 H CA -0.472 55.407 56.048 -0.283 0.000 1.219 477 H CB 1.184 30.689 29.762 -0.427 0.000 1.471 477 H HN 0.622 nan 8.280 nan 0.000 0.491 478 H N 1.381 120.550 119.070 0.165 0.000 2.921 478 H HA -0.157 4.399 4.556 -0.000 0.000 0.281 478 H C 1.052 176.299 175.328 -0.135 0.000 1.165 478 H CA 0.202 56.242 56.048 -0.014 0.000 1.151 478 H CB -1.241 28.518 29.762 -0.006 0.000 1.311 478 H HN 0.459 nan 8.280 nan 0.000 0.361 479 L N 1.554 122.814 121.223 0.061 0.000 2.376 479 L HA -0.062 4.278 4.340 -0.000 0.000 0.219 479 L C 2.754 179.722 176.870 0.162 0.000 1.133 479 L CA 1.766 56.661 54.840 0.092 0.000 0.816 479 L CB -0.609 41.517 42.059 0.111 0.000 0.933 479 L HN 0.587 nan 8.230 nan 0.000 0.449 480 H N -1.468 117.612 119.070 0.015 0.000 2.545 480 H HA -0.023 4.533 4.556 -0.000 0.000 0.282 480 H C 1.514 176.987 175.328 0.242 0.000 1.020 480 H CA 0.593 56.632 56.048 -0.016 0.000 1.243 480 H CB -0.233 29.344 29.762 -0.310 0.000 1.377 480 H HN 0.338 nan 8.280 nan 0.000 0.581 481 R N 1.001 121.386 120.500 -0.193 0.000 2.299 481 R HA 0.118 4.458 4.340 -0.000 0.000 0.197 481 R C 0.555 176.865 176.300 0.017 0.000 0.971 481 R CA 0.001 56.047 56.100 -0.090 0.000 1.030 481 R CB 0.380 30.574 30.300 -0.178 0.000 0.932 481 R HN 0.125 nan 8.270 nan 0.000 0.477 482 S N 0.315 116.048 115.700 0.056 0.000 2.606 482 S HA 0.106 4.576 4.470 -0.000 0.000 0.257 482 S C 0.366 174.846 174.600 -0.201 0.000 1.327 482 S CA 0.083 58.214 58.200 -0.114 0.000 0.984 482 S CB 1.128 64.154 63.200 -0.291 0.000 0.941 482 S HN 0.042 nan 8.310 nan 0.000 0.576 483 T N 0.650 115.036 114.554 -0.279 0.000 2.861 483 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 483 T C 0.489 174.990 174.700 -0.332 0.000 1.003 483 T CA -0.558 61.391 62.100 -0.253 0.000 0.977 483 T CB 1.833 70.608 68.868 -0.156 0.000 0.996 483 T HN 0.542 nan 8.240 nan 0.000 0.448 484 T N 1.682 116.060 114.554 -0.295 0.000 2.954 484 T HA 0.298 4.648 4.350 -0.000 0.000 0.252 484 T C 0.188 174.781 174.700 -0.178 0.000 0.983 484 T CA 0.024 61.989 62.100 -0.226 0.000 0.941 484 T CB 0.155 68.931 68.868 -0.154 0.000 1.141 484 T HN 0.134 nan 8.240 nan 0.000 0.500 485 L N 1.246 122.354 121.223 -0.191 0.000 2.375 485 L HA 0.706 5.046 4.340 -0.000 0.000 0.268 485 L C 1.166 177.879 176.870 -0.262 0.000 1.058 485 L CA 0.665 55.371 54.840 -0.223 0.000 0.803 485 L CB 0.478 42.391 42.059 -0.243 0.000 1.212 485 L HN 0.405 nan 8.230 nan 0.000 0.451 486 G N 0.962 109.567 108.800 -0.325 0.000 2.750 486 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.228 486 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.228 486 G C 0.535 175.220 174.900 -0.357 0.000 1.367 486 G CA 0.494 45.355 45.100 -0.399 0.000 0.871 486 G HN 0.616 nan 8.290 nan 0.000 0.560 487 Y N -0.074 120.154 120.300 -0.121 0.000 2.314 487 Y HA 0.043 4.593 4.550 -0.000 0.000 0.293 487 Y C 2.867 178.689 175.900 -0.130 0.000 1.129 487 Y CA 1.488 59.514 58.100 -0.124 0.000 1.201 487 Y CB -0.009 38.413 38.460 -0.064 0.000 0.999 487 Y HN 0.737 nan 8.280 nan 0.000 0.541 488 E N 0.468 120.670 120.200 0.005 0.000 2.051 488 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 488 E C 2.478 179.022 176.600 -0.092 0.000 0.991 488 E CA 1.176 57.557 56.400 -0.031 0.000 0.799 488 E CB -0.405 29.269 29.700 -0.044 0.000 0.748 488 E HN 0.491 nan 8.360 nan 0.000 0.449 489 G N 0.434 109.143 108.800 -0.153 0.000 2.408 489 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 489 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 489 G C 1.618 176.377 174.900 -0.234 0.000 1.150 489 G CA 0.776 45.758 45.100 -0.198 0.000 0.776 489 G HN 0.400 nan 8.290 nan 0.000 0.542 490 A N 0.582 123.215 122.820 -0.311 0.000 1.930 490 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 490 A C 2.425 179.921 177.584 -0.146 0.000 1.175 490 A CA 1.601 53.315 52.037 -0.537 0.000 0.627 490 A CB -0.309 18.290 19.000 -0.668 0.000 0.815 490 A HN 0.386 nan 8.150 nan 0.000 0.443 491 M N -1.013 118.555 119.600 -0.054 0.000 2.175 491 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 491 M C 2.423 178.726 176.300 0.005 0.000 1.063 491 M CA 1.424 56.736 55.300 0.019 0.000 1.119 491 M CB -0.362 32.244 32.600 0.010 0.000 1.377 491 M HN 0.489 nan 8.290 nan 0.000 0.415 492 Q N 0.341 120.116 119.800 -0.042 0.000 2.079 492 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 492 Q C 2.034 178.012 176.000 -0.036 0.000 0.974 492 Q CA 1.313 57.084 55.803 -0.053 0.000 0.840 492 Q CB -0.155 28.523 28.738 -0.100 0.000 0.898 492 Q HN 0.551 nan 8.270 nan 0.000 0.430 493 I N 0.748 121.304 120.570 -0.023 0.000 2.179 493 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 493 I C 2.436 178.596 176.117 0.073 0.000 1.088 493 I CA 0.871 62.188 61.300 0.027 0.000 1.357 493 I CB -0.278 37.772 38.000 0.083 0.000 1.051 493 I HN 0.226 nan 8.210 nan 0.000 0.409 494 L N 0.358 121.685 121.223 0.174 0.000 2.012 494 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 494 L C 2.607 179.482 176.870 0.008 0.000 1.073 494 L CA 1.920 56.815 54.840 0.093 0.000 0.748 494 L CB -0.457 41.699 42.059 0.163 0.000 0.891 494 L HN 0.222 nan 8.230 nan 0.000 0.431 495 T N -0.960 113.599 114.554 0.009 0.000 2.720 495 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 495 T C 1.717 176.390 174.700 -0.046 0.000 1.037 495 T CA 1.979 64.068 62.100 -0.019 0.000 1.144 495 T CB -0.527 68.331 68.868 -0.017 0.000 0.864 495 T HN 0.461 nan 8.240 nan 0.000 0.444 496 T N 2.303 116.829 114.554 -0.048 0.000 2.788 496 T HA 0.073 4.423 4.350 -0.000 0.000 0.268 496 T C 1.968 176.603 174.700 -0.107 0.000 1.044 496 T CA 0.775 62.834 62.100 -0.068 0.000 1.139 496 T CB -0.371 68.463 68.868 -0.058 0.000 0.867 496 T HN 0.263 nan 8.240 nan 0.000 0.454 497 L N 1.174 122.333 121.223 -0.106 0.000 2.023 497 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 497 L C 2.839 179.627 176.870 -0.136 0.000 1.073 497 L CA 1.018 55.774 54.840 -0.140 0.000 0.745 497 L CB -0.876 41.095 42.059 -0.147 0.000 0.900 497 L HN 0.216 nan 8.230 nan 0.000 0.435 498 V N -2.585 117.277 119.914 -0.086 0.000 2.358 498 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 498 V C 2.043 178.048 176.094 -0.148 0.000 1.047 498 V CA 1.787 64.039 62.300 -0.080 0.000 1.035 498 V CB -0.943 30.858 31.823 -0.038 0.000 0.658 498 V HN 0.408 nan 8.190 nan 0.000 0.452 499 N N 0.821 119.442 118.700 -0.131 0.000 2.381 499 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 499 N C 2.027 177.455 175.510 -0.138 0.000 1.025 499 N CA 1.612 54.581 53.050 -0.135 0.000 0.888 499 N CB -0.286 38.143 38.487 -0.096 0.000 0.965 499 N HN 0.550 nan 8.380 nan 0.000 0.438 500 S N 0.727 116.318 115.700 -0.182 0.000 2.387 500 S HA 0.127 4.596 4.470 -0.000 0.000 0.226 500 S C 2.016 176.513 174.600 -0.172 0.000 1.026 500 S CA 0.305 58.374 58.200 -0.218 0.000 0.972 500 S CB 0.082 63.023 63.200 -0.432 0.000 0.814 500 S HN 0.256 nan 8.310 nan 0.000 0.477 501 I N 1.308 121.740 120.570 -0.231 0.000 2.252 501 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 501 I C 1.855 177.926 176.117 -0.077 0.000 1.102 501 I CA 1.094 62.383 61.300 -0.019 0.000 1.385 501 I CB -0.257 37.735 38.000 -0.013 0.000 1.064 501 I HN 0.229 nan 8.210 nan 0.000 0.414 502 L N -0.059 121.032 121.223 -0.221 0.000 2.179 502 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 502 L C 2.353 179.119 176.870 -0.173 0.000 1.096 502 L CA 1.040 55.690 54.840 -0.317 0.000 0.779 502 L CB -0.449 41.367 42.059 -0.405 0.000 0.922 502 L HN 0.206 nan 8.230 nan 0.000 0.443 503 E N 0.013 120.158 120.200 -0.092 0.000 2.072 503 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 503 E C 2.207 178.811 176.600 0.006 0.000 0.985 503 E CA 0.872 57.249 56.400 -0.037 0.000 0.801 503 E CB 0.053 29.747 29.700 -0.010 0.000 0.750 503 E HN 0.170 nan 8.360 nan 0.000 0.452 504 R N 0.895 121.433 120.500 0.063 0.000 2.075 504 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 504 R C 2.130 178.443 176.300 0.020 0.000 1.126 504 R CA 0.938 57.088 56.100 0.083 0.000 0.963 504 R CB -0.598 29.835 30.300 0.222 0.000 0.858 504 R HN 0.175 nan 8.270 nan 0.000 0.435 505 L N 0.572 121.788 121.223 -0.012 0.000 2.093 505 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 505 L C 1.223 178.078 176.870 -0.025 0.000 1.085 505 L CA 2.014 56.829 54.840 -0.042 0.000 0.755 505 L CB -0.654 41.330 42.059 -0.124 0.000 0.904 505 L HN 0.158 nan 8.230 nan 0.000 0.435 506 D N -0.472 119.908 120.400 -0.034 0.000 2.178 506 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 506 D C 2.072 178.464 176.300 0.153 0.000 0.980 506 D CA 1.308 55.347 54.000 0.066 0.000 0.842 506 D CB 0.112 40.914 40.800 0.004 0.000 0.948 506 D HN 0.609 nan 8.370 nan 0.000 0.472 507 E N 0.741 120.973 120.200 0.052 0.000 2.047 507 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 507 E C 1.580 178.171 176.600 -0.015 0.000 0.987 507 E CA 0.824 57.234 56.400 0.017 0.000 0.799 507 E CB 0.084 29.787 29.700 0.005 0.000 0.752 507 E HN 0.265 nan 8.360 nan 0.000 0.449 508 E N -0.437 119.753 120.200 -0.017 0.000 2.265 508 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 508 E C 1.304 177.869 176.600 -0.057 0.000 0.996 508 E CA 1.459 57.835 56.400 -0.040 0.000 0.832 508 E CB 0.110 29.786 29.700 -0.041 0.000 0.756 508 E HN 0.376 nan 8.360 nan 0.000 0.491 509 T N -2.549 111.987 114.554 -0.029 0.000 3.182 509 T HA 0.237 4.587 4.350 -0.000 0.000 0.277 509 T C 1.231 175.821 174.700 -0.184 0.000 1.013 509 T CA -0.506 61.554 62.100 -0.067 0.000 0.900 509 T CB 0.374 69.240 68.868 -0.003 0.000 1.098 509 T HN -0.073 nan 8.240 nan 0.000 0.543 510 R N 1.186 121.522 120.500 -0.273 0.000 2.275 510 R HA 0.242 4.582 4.340 -0.000 0.000 0.199 510 R C 1.233 177.339 176.300 -0.323 0.000 0.989 510 R CA 0.064 55.825 56.100 -0.563 0.000 1.016 510 R CB -0.386 29.720 30.300 -0.323 0.000 0.918 510 R HN 0.464 nan 8.270 nan 0.000 0.473 511 G N 1.687 110.372 108.800 -0.190 0.000 2.307 511 G HA2 0.035 3.995 3.960 -0.000 0.000 0.271 511 G HA3 0.035 3.995 3.960 -0.000 0.000 0.271 511 G C -0.232 174.613 174.900 -0.093 0.000 1.191 511 G CA -0.362 44.670 45.100 -0.113 0.000 1.024 511 G HN 0.186 nan 8.290 nan 0.000 0.441 512 M N 2.651 122.206 119.600 -0.076 0.000 2.303 512 M HA 0.098 4.578 4.480 -0.000 0.000 0.350 512 M C 1.253 177.547 176.300 -0.009 0.000 1.518 512 M CA 0.850 56.124 55.300 -0.044 0.000 1.070 512 M CB 0.084 32.662 32.600 -0.036 0.000 1.910 512 M HN 0.877 nan 8.290 nan 0.000 0.458 513 Q N 1.728 121.537 119.800 0.014 0.000 2.253 513 Q HA -0.323 4.017 4.340 -0.000 0.000 0.186 513 Q C 0.231 176.270 176.000 0.065 0.000 0.624 513 Q CA 1.331 57.159 55.803 0.042 0.000 1.417 513 Q CB -1.492 27.262 28.738 0.026 0.000 1.543 513 Q HN 0.959 nan 8.270 nan 0.000 0.809 514 A N -0.814 122.037 122.820 0.051 0.000 1.919 514 A HA 0.089 4.409 4.320 -0.000 0.000 0.211 514 A C 1.652 179.314 177.584 0.129 0.000 1.310 514 A CA 1.491 53.570 52.037 0.070 0.000 0.651 514 A CB -0.081 18.934 19.000 0.025 0.000 0.996 514 A HN 0.713 nan 8.150 nan 0.000 0.479 515 T N -2.346 112.221 114.554 0.022 0.000 3.043 515 T HA 0.076 4.425 4.350 -0.000 0.000 0.272 515 T C 0.614 175.122 174.700 -0.321 0.000 0.990 515 T CA 0.707 62.733 62.100 -0.123 0.000 0.897 515 T CB 0.061 68.850 68.868 -0.132 0.000 1.111 515 T HN 0.424 nan 8.240 nan 0.000 0.529 516 D N 1.617 121.938 120.400 -0.132 0.000 2.371 516 D HA -0.107 4.533 4.640 -0.000 0.000 0.234 516 D C 1.449 177.738 176.300 -0.020 0.000 1.049 516 D CA -0.046 53.889 54.000 -0.108 0.000 0.907 516 D CB -0.740 39.994 40.800 -0.111 0.000 0.891 516 D HN 0.702 nan 8.370 nan 0.000 0.531 517 Y N -0.250 120.079 120.300 0.048 0.000 2.421 517 Y HA 0.050 4.600 4.550 -0.000 0.000 0.292 517 Y C 1.349 177.288 175.900 0.066 0.000 1.136 517 Y CA 0.844 58.973 58.100 0.048 0.000 1.255 517 Y CB -0.948 37.531 38.460 0.032 0.000 0.991 517 Y HN -0.049 nan 8.280 nan 0.000 0.552 518 N N -0.106 118.389 118.700 -0.342 0.000 2.273 518 N HA -0.053 4.687 4.740 -0.000 0.000 0.231 518 N C -0.445 175.038 175.510 -0.045 0.000 1.134 518 N CA -0.105 52.853 53.050 -0.154 0.000 0.856 518 N CB -0.596 37.718 38.487 -0.289 0.000 1.068 518 N HN 0.493 nan 8.380 nan 0.000 0.510 519 H N 0.621 119.623 119.070 -0.113 0.000 2.640 519 H HA 0.117 4.673 4.556 -0.000 0.000 0.220 519 H C -0.817 174.490 175.328 -0.035 0.000 1.852 519 H CA -0.569 55.432 56.048 -0.078 0.000 1.275 519 H CB -0.116 29.603 29.762 -0.072 0.000 1.675 519 H HN 0.275 nan 8.280 nan 0.000 0.523 520 D N 1.932 122.275 120.400 -0.094 0.000 2.399 520 D HA -0.099 4.541 4.640 -0.000 0.000 0.241 520 D C 1.461 177.690 176.300 -0.120 0.000 1.133 520 D CA -0.255 53.706 54.000 -0.065 0.000 0.890 520 D CB 1.776 42.574 40.800 -0.004 0.000 1.201 520 D HN 0.390 nan 8.370 nan 0.000 0.432 521 L N 2.997 124.182 121.223 -0.062 0.000 2.027 521 L HA -0.078 4.262 4.340 -0.000 0.000 0.206 521 L C 0.536 177.373 176.870 -0.055 0.000 1.074 521 L CA 1.236 56.039 54.840 -0.062 0.000 0.745 521 L CB 0.078 42.121 42.059 -0.025 0.000 0.898 521 L HN 0.389 nan 8.230 nan 0.000 0.433 522 V N -0.897 119.004 119.914 -0.023 0.000 2.394 522 V HA 0.593 4.712 4.120 -0.000 0.000 0.282 522 V C -0.185 175.926 176.094 0.027 0.000 1.031 522 V CA -0.701 61.598 62.300 -0.002 0.000 0.881 522 V CB 1.066 32.899 31.823 0.016 0.000 0.982 522 V HN 0.308 nan 8.190 nan 0.000 0.451 523 R N 0.000 120.513 120.500 0.022 0.000 2.786 523 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 523 R CA 0.000 56.159 56.100 0.098 0.000 0.921 523 R CB 0.000 30.209 30.300 -0.152 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535