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 2qt6_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVGPVADLTV TNANIVPDGF ERAAIVVNNV FPAPLITGNM GDNFQLNLVN DATA SEQUENCE QMTNHTMLKT TSIHWHGFFQ KGTNWADGPA FINQcPIASG NSFLYDFQVP DATA SEQUENCE GQAGTFWYHS HLSTQYcDGL RGPFVVYDPN DPHANLYDVD DESTVITLAD DATA SEQUENCE WYHVAAKLGP RFPKGADSTL INGLGRSTST PTADLAVISV TKGKRYRFRL DATA SEQUENCE VSLScDPNYT FSIDSHQLTV IEADGVSTQP VTVDSIQIFA AQRYSFVLNA DATA SEQUENCE NQDVDNYWIR ANPNFGTTGF ADGVNSAILR YDDADPVEPV TNQTGTTLLL DATA SEQUENCE ETDLHPLTSM PVPGNPTQGG ADLNLNMAFN FDGTNFFING ESFTPPTVPV DATA SEQUENCE LLQIISGANT AQDLLPSGSV YSLPSNSSIE ITFPATTAAP GAPHPFHLHG DATA SEQUENCE HVFAVVRSAG STSYNYDDPV WRDVVSTGTP QAGDNVTIRF QTDNPGPWFL DATA SEQUENCE HCHIDFHLDA GFAVVMAEDI PNTVNANPVP QAWSNLcPTY DALEPSNE 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.590 177.584 0.010 0.000 1.274 1 A CA 0.000 52.055 52.037 0.031 0.000 0.836 1 A CB 0.000 19.029 19.000 0.048 0.000 0.831 2 V N -1.236 118.673 119.914 -0.009 0.000 3.074 2 V HA 1.038 5.151 4.120 -0.011 0.000 0.314 2 V C 0.423 176.476 176.094 -0.069 0.000 1.117 2 V CA 0.049 62.331 62.300 -0.029 0.000 1.014 2 V CB 0.984 32.799 31.823 -0.014 0.000 1.057 2 V HN 3.030 nan 8.190 nan 0.000 0.438 3 G N 2.131 110.886 108.800 -0.076 0.000 2.555 3 G HA2 0.048 4.002 3.960 -0.011 0.000 0.686 3 G HA3 0.048 4.002 3.960 -0.011 0.000 0.686 3 G C -1.983 172.834 174.900 -0.137 0.000 1.275 3 G CA -0.104 44.937 45.100 -0.098 0.000 0.871 3 G HN 0.880 nan 8.290 nan 0.000 0.603 4 P HA 0.146 nan 4.420 nan 0.000 0.229 4 P C 0.558 177.668 177.300 -0.317 0.000 1.160 4 P CA 0.765 63.566 63.100 -0.497 0.000 0.777 4 P CB 0.283 31.325 31.700 -1.097 0.000 0.814 5 V N 0.703 120.481 119.914 -0.226 0.000 2.357 5 V HA 0.699 4.812 4.120 -0.011 0.000 0.284 5 V C 0.115 176.149 176.094 -0.100 0.000 1.018 5 V CA -0.529 61.674 62.300 -0.162 0.000 0.841 5 V CB 0.893 32.626 31.823 -0.150 0.000 0.991 5 V HN 0.230 nan 8.190 nan 0.000 0.437 6 A N 3.780 126.558 122.820 -0.070 0.000 2.605 6 A HA 0.694 5.008 4.320 -0.011 0.000 0.294 6 A C -1.631 175.959 177.584 0.011 0.000 1.062 6 A CA -0.752 51.267 52.037 -0.030 0.000 0.682 6 A CB 1.480 20.459 19.000 -0.036 0.000 1.278 6 A HN 0.607 nan 8.150 nan 0.000 0.410 7 D N 1.121 121.542 120.400 0.035 0.000 2.264 7 D HA 0.530 5.163 4.640 -0.011 0.000 0.250 7 D C -0.612 175.750 176.300 0.103 0.000 1.113 7 D CA 0.433 54.478 54.000 0.076 0.000 0.871 7 D CB 1.172 42.014 40.800 0.071 0.000 1.167 7 D HN 0.393 nan 8.370 nan 0.000 0.447 8 L N 2.324 123.640 121.223 0.155 0.000 2.318 8 L HA 0.313 4.646 4.340 -0.011 0.000 0.277 8 L C 0.033 177.025 176.870 0.202 0.000 1.008 8 L CA -0.531 54.425 54.840 0.193 0.000 0.846 8 L CB 1.409 43.626 42.059 0.263 0.000 1.220 8 L HN 0.127 nan 8.230 nan 0.000 0.423 9 T N 2.641 117.297 114.554 0.171 0.000 2.749 9 T HA 0.422 4.765 4.350 -0.011 0.000 0.287 9 T C 0.040 174.841 174.700 0.168 0.000 0.970 9 T CA -0.368 61.827 62.100 0.159 0.000 0.980 9 T CB 1.715 70.657 68.868 0.124 0.000 0.924 9 T HN 0.136 nan 8.240 nan 0.000 0.456 10 V N 5.003 125.022 119.914 0.175 0.000 2.370 10 V HA 0.647 4.761 4.120 -0.011 0.000 0.279 10 V C 0.622 176.805 176.094 0.149 0.000 1.029 10 V CA -0.676 61.730 62.300 0.177 0.000 0.870 10 V CB 1.102 33.041 31.823 0.195 0.000 0.984 10 V HN 1.118 nan 8.190 nan 0.000 0.451 11 T N 1.447 116.085 114.554 0.141 0.000 2.864 11 T HA 0.559 4.902 4.350 -0.011 0.000 0.289 11 T C -0.594 174.177 174.700 0.119 0.000 1.082 11 T CA -1.044 61.128 62.100 0.120 0.000 1.009 11 T CB 1.648 70.580 68.868 0.106 0.000 1.234 11 T HN 0.471 nan 8.240 nan 0.000 0.526 12 N N -0.276 118.485 118.700 0.102 0.000 2.473 12 N HA 0.716 5.449 4.740 -0.011 0.000 0.291 12 N C -0.863 174.699 175.510 0.085 0.000 1.083 12 N CA -0.656 52.451 53.050 0.094 0.000 0.951 12 N CB 1.646 40.180 38.487 0.078 0.000 1.164 12 N HN 1.038 nan 8.380 nan 0.000 0.480 13 A N 1.334 124.206 122.820 0.087 0.000 2.606 13 A HA 0.509 4.822 4.320 -0.011 0.000 0.293 13 A C -1.548 176.076 177.584 0.067 0.000 1.082 13 A CA -0.959 51.122 52.037 0.073 0.000 0.685 13 A CB 1.037 20.085 19.000 0.079 0.000 1.284 13 A HN 0.606 nan 8.150 nan 0.000 0.408 14 N N 1.248 119.974 118.700 0.043 0.000 2.434 14 N HA 0.606 5.339 4.740 -0.011 0.000 0.272 14 N C -0.397 175.128 175.510 0.026 0.000 1.040 14 N CA 0.071 53.137 53.050 0.027 0.000 0.956 14 N CB 1.101 39.586 38.487 -0.004 0.000 1.108 14 N HN 0.756 nan 8.380 nan 0.000 0.481 15 I N -2.274 118.318 120.570 0.036 0.000 3.042 15 I HA 0.647 4.810 4.170 -0.011 0.000 0.310 15 I C -0.184 175.936 176.117 0.005 0.000 1.117 15 I CA -1.253 60.060 61.300 0.020 0.000 1.003 15 I CB 2.301 40.313 38.000 0.019 0.000 1.228 15 I HN 0.119 nan 8.210 nan 0.000 0.443 16 V N -0.372 119.531 119.914 -0.020 0.000 2.570 16 V HA 0.409 4.523 4.120 -0.011 0.000 0.271 16 V C -2.102 173.978 176.094 -0.024 0.000 1.005 16 V CA -0.687 61.607 62.300 -0.009 0.000 1.111 16 V CB -0.098 31.712 31.823 -0.022 0.000 1.259 16 V HN 0.761 nan 8.190 nan 0.000 0.571 17 P HA -0.047 nan 4.420 nan 0.000 0.223 17 P C 0.429 177.696 177.300 -0.055 0.000 1.151 17 P CA 1.557 64.569 63.100 -0.146 0.000 0.787 17 P CB 0.250 31.720 31.700 -0.383 0.000 0.788 18 D N -2.380 118.040 120.400 0.034 0.000 2.501 18 D HA 0.235 4.869 4.640 -0.011 0.000 0.224 18 D C 1.272 177.666 176.300 0.157 0.000 1.202 18 D CA -0.110 53.967 54.000 0.128 0.000 0.829 18 D CB -0.374 40.571 40.800 0.242 0.000 1.023 18 D HN 0.196 nan 8.370 nan 0.000 0.499 19 G N 0.062 108.930 108.800 0.113 0.000 2.176 19 G HA2 -0.263 3.690 3.960 -0.011 0.000 0.253 19 G HA3 -0.263 3.690 3.960 -0.011 0.000 0.253 19 G C -0.196 174.785 174.900 0.136 0.000 0.979 19 G CA 0.115 45.276 45.100 0.101 0.000 0.641 19 G HN 0.431 nan 8.290 nan 0.000 0.530 20 F N 1.884 121.829 119.950 -0.009 0.000 2.436 20 F HA 0.701 5.222 4.527 -0.011 0.000 0.340 20 F C 0.134 175.911 175.800 -0.039 0.000 1.113 20 F CA -1.322 56.620 58.000 -0.097 0.000 1.022 20 F CB 1.456 40.233 39.000 -0.373 0.000 1.128 20 F HN 0.120 nan 8.300 nan 0.000 0.466 21 E N 6.344 126.055 120.200 -0.815 0.000 2.259 21 E HA 0.428 4.771 4.350 -0.011 0.000 0.281 21 E C -0.974 175.246 176.600 -0.635 0.000 1.027 21 E CA -0.618 55.471 56.400 -0.519 0.000 0.838 21 E CB 0.759 30.255 29.700 -0.339 0.000 1.066 21 E HN 0.805 nan 8.360 nan 0.000 0.401 22 R N 1.858 122.252 120.500 -0.176 0.000 2.739 22 R HA 0.676 5.009 4.340 -0.011 0.000 0.271 22 R C -1.332 175.000 176.300 0.052 0.000 1.010 22 R CA -0.960 55.119 56.100 -0.035 0.000 0.897 22 R CB 1.009 31.401 30.300 0.154 0.000 1.236 22 R HN 0.374 nan 8.270 nan 0.000 0.466 23 A N 1.168 124.011 122.820 0.038 0.000 2.462 23 A HA 0.626 4.939 4.320 -0.011 0.000 0.243 23 A C -0.147 177.491 177.584 0.091 0.000 1.076 23 A CA 0.437 52.506 52.037 0.053 0.000 0.773 23 A CB 0.161 19.177 19.000 0.026 0.000 1.010 23 A HN 1.025 nan 8.150 nan 0.000 0.493 24 A N 1.678 124.565 122.820 0.112 0.000 2.568 24 A HA 0.741 5.055 4.320 -0.011 0.000 0.291 24 A C -0.885 176.783 177.584 0.139 0.000 1.159 24 A CA -0.595 51.533 52.037 0.152 0.000 0.679 24 A CB 0.609 19.769 19.000 0.267 0.000 1.285 24 A HN 0.755 nan 8.150 nan 0.000 0.428 25 I N 1.093 121.764 120.570 0.169 0.000 2.377 25 I HA 0.535 4.698 4.170 -0.011 0.000 0.293 25 I C -0.305 175.948 176.117 0.226 0.000 0.987 25 I CA -0.848 60.559 61.300 0.178 0.000 1.185 25 I CB 1.681 39.788 38.000 0.179 0.000 1.341 25 I HN 0.595 nan 8.210 nan 0.000 0.455 26 V N 4.315 124.351 119.914 0.203 0.000 3.001 26 V HA 0.714 4.828 4.120 -0.011 0.000 0.314 26 V C -0.669 175.545 176.094 0.199 0.000 1.099 26 V CA -0.688 61.744 62.300 0.221 0.000 0.989 26 V CB 2.105 34.040 31.823 0.187 0.000 1.040 26 V HN 0.382 nan 8.190 nan 0.000 0.434 27 V N 2.822 122.857 119.914 0.202 0.000 2.487 27 V HA 0.533 4.646 4.120 -0.011 0.000 0.298 27 V C 0.111 176.308 176.094 0.172 0.000 1.028 27 V CA -0.587 61.835 62.300 0.204 0.000 0.860 27 V CB 1.056 33.033 31.823 0.257 0.000 0.991 27 V HN 1.040 nan 8.190 nan 0.000 0.427 28 N N 4.500 123.291 118.700 0.152 0.000 2.710 28 N HA -0.217 4.516 4.740 -0.011 0.000 0.249 28 N C 0.600 176.172 175.510 0.105 0.000 1.059 28 N CA 1.166 54.288 53.050 0.120 0.000 0.720 28 N CB -1.106 37.450 38.487 0.114 0.000 0.983 28 N HN 0.894 nan 8.380 nan 0.000 0.544 29 N N -4.089 114.677 118.700 0.111 0.000 2.878 29 N HA -0.189 4.544 4.740 -0.011 0.000 0.247 29 N C -0.203 175.368 175.510 0.101 0.000 1.021 29 N CA 1.366 54.474 53.050 0.098 0.000 0.873 29 N CB -1.588 36.945 38.487 0.076 0.000 1.128 29 N HN 0.546 nan 8.380 nan 0.000 0.571 30 V N -2.955 117.028 119.914 0.116 0.000 3.040 30 V HA 0.894 5.007 4.120 -0.011 0.000 0.312 30 V C -0.524 175.667 176.094 0.161 0.000 1.115 30 V CA -1.132 61.233 62.300 0.108 0.000 0.998 30 V CB 2.599 34.458 31.823 0.060 0.000 1.042 30 V HN 0.068 nan 8.190 nan 0.000 0.433 31 F N 3.037 122.985 119.950 -0.004 0.000 2.547 31 F HA 0.902 5.422 4.527 -0.011 0.000 0.316 31 F C -2.549 173.203 175.800 -0.079 0.000 1.121 31 F CA -2.001 55.979 58.000 -0.034 0.000 0.911 31 F CB 2.184 41.130 39.000 -0.091 0.000 1.179 31 F HN 0.496 nan 8.300 nan 0.000 0.443 32 P HA 0.250 nan 4.420 nan 0.000 0.271 32 P C -0.943 176.177 177.300 -0.301 0.000 1.238 32 P CA -0.304 62.186 63.100 -1.018 0.000 0.794 32 P CB 0.438 31.705 31.700 -0.722 0.000 0.959 33 A N 2.491 125.224 122.820 -0.146 0.000 2.507 33 A HA 0.277 4.591 4.320 -0.011 0.000 0.235 33 A C -1.933 175.697 177.584 0.077 0.000 1.070 33 A CA -0.696 51.349 52.037 0.013 0.000 0.768 33 A CB -1.371 17.584 19.000 -0.074 0.000 1.011 33 A HN 0.430 nan 8.150 nan 0.000 0.502 34 P HA 0.157 nan 4.420 nan 0.000 0.272 34 P C -0.328 177.110 177.300 0.229 0.000 1.223 34 P CA -0.354 62.840 63.100 0.157 0.000 0.784 34 P CB 0.386 32.169 31.700 0.140 0.000 0.923 35 L N 3.324 124.632 121.223 0.140 0.000 2.513 35 L HA 0.127 4.460 4.340 -0.011 0.000 0.272 35 L C -0.164 176.740 176.870 0.057 0.000 1.187 35 L CA 0.376 55.299 54.840 0.139 0.000 0.895 35 L CB -0.767 41.347 42.059 0.091 0.000 1.147 35 L HN 0.195 nan 8.230 nan 0.000 0.483 36 I N 4.839 125.376 120.570 -0.055 0.000 2.385 36 I HA 0.442 4.605 4.170 -0.011 0.000 0.294 36 I C 0.284 176.175 176.117 -0.377 0.000 0.988 36 I CA -0.317 60.750 61.300 -0.388 0.000 1.265 36 I CB 1.543 38.960 38.000 -0.973 0.000 1.388 36 I HN 0.778 nan 8.210 nan 0.000 0.480 37 T N 1.642 116.095 114.554 -0.168 0.000 2.906 37 T HA 0.915 5.258 4.350 -0.011 0.000 0.295 37 T C -0.373 174.444 174.700 0.195 0.000 1.075 37 T CA -0.746 61.388 62.100 0.056 0.000 1.005 37 T CB 2.317 71.327 68.868 0.236 0.000 1.136 37 T HN 0.880 nan 8.240 nan 0.000 0.498 38 G N 0.615 109.614 108.800 0.332 0.000 2.561 38 G HA2 0.581 4.534 3.960 -0.011 0.000 0.310 38 G HA3 0.581 4.534 3.960 -0.011 0.000 0.310 38 G C -1.946 173.106 174.900 0.252 0.000 1.292 38 G CA -1.100 44.109 45.100 0.181 0.000 0.811 38 G HN 0.902 nan 8.290 nan 0.000 0.482 39 N N -0.439 118.326 118.700 0.108 0.000 2.362 39 N HA 0.494 5.228 4.740 -0.011 0.000 0.299 39 N C 0.153 175.721 175.510 0.097 0.000 1.170 39 N CA -0.829 52.303 53.050 0.135 0.000 0.825 39 N CB 2.182 40.710 38.487 0.068 0.000 1.299 39 N HN 0.600 nan 8.380 nan 0.000 0.502 40 M N 1.367 121.034 119.600 0.112 0.000 2.286 40 M HA -0.066 4.408 4.480 -0.011 0.000 0.365 40 M C 0.882 177.198 176.300 0.027 0.000 1.443 40 M CA 1.507 56.856 55.300 0.081 0.000 0.951 40 M CB -0.433 32.215 32.600 0.080 0.000 1.961 40 M HN 0.964 nan 8.290 nan 0.000 0.468 41 G N 3.254 112.061 108.800 0.012 0.000 2.179 41 G HA2 -0.226 3.728 3.960 -0.011 0.000 0.260 41 G HA3 -0.226 3.728 3.960 -0.011 0.000 0.260 41 G C -0.209 174.644 174.900 -0.078 0.000 0.977 41 G CA 0.264 45.352 45.100 -0.021 0.000 0.641 41 G HN 0.738 nan 8.290 nan 0.000 0.533 42 D N 0.269 120.592 120.400 -0.129 0.000 2.378 42 D HA 0.324 4.957 4.640 -0.011 0.000 0.238 42 D C 0.587 176.666 176.300 -0.368 0.000 1.180 42 D CA 0.063 53.879 54.000 -0.308 0.000 0.895 42 D CB 0.394 40.866 40.800 -0.546 0.000 1.192 42 D HN 0.277 nan 8.370 nan 0.000 0.438 43 N N 1.104 119.549 118.700 -0.426 0.000 2.439 43 N HA 0.121 4.855 4.740 -0.011 0.000 0.249 43 N C -1.427 173.693 175.510 -0.650 0.000 1.003 43 N CA -0.357 52.448 53.050 -0.410 0.000 0.942 43 N CB -0.100 38.230 38.487 -0.262 0.000 1.115 43 N HN 0.122 nan 8.380 nan 0.000 0.505 44 F N 1.715 121.251 119.950 -0.690 0.000 2.438 44 F HA 0.258 4.779 4.527 -0.011 0.000 0.356 44 F C 0.853 176.225 175.800 -0.714 0.000 1.099 44 F CA -0.076 57.424 58.000 -0.834 0.000 1.185 44 F CB 1.068 39.233 39.000 -1.392 0.000 1.115 44 F HN 0.303 nan 8.300 nan 0.000 0.526 45 Q N 5.332 124.933 119.800 -0.331 0.000 2.523 45 Q HA 0.407 4.740 4.340 -0.011 0.000 0.251 45 Q C -1.231 174.684 176.000 -0.142 0.000 1.033 45 Q CA -0.288 55.390 55.803 -0.208 0.000 0.746 45 Q CB 1.457 30.101 28.738 -0.157 0.000 1.189 45 Q HN 0.593 nan 8.270 nan 0.000 0.508 46 L N 2.364 123.515 121.223 -0.120 0.000 2.295 46 L HA 0.395 4.728 4.340 -0.011 0.000 0.281 46 L C -0.254 176.710 176.870 0.157 0.000 1.018 46 L CA -0.786 54.032 54.840 -0.038 0.000 0.841 46 L CB 0.888 42.805 42.059 -0.238 0.000 1.218 46 L HN 0.380 nan 8.230 nan 0.000 0.424 47 N N 4.037 122.815 118.700 0.129 0.000 2.437 47 N HA 0.172 4.906 4.740 -0.011 0.000 0.243 47 N C -0.911 174.750 175.510 0.251 0.000 1.041 47 N CA -0.378 52.768 53.050 0.160 0.000 0.940 47 N CB 0.818 39.355 38.487 0.083 0.000 1.133 47 N HN 0.371 nan 8.380 nan 0.000 0.506 48 L N 5.609 127.061 121.223 0.382 0.000 2.278 48 L HA 0.377 4.711 4.340 -0.011 0.000 0.287 48 L C -1.032 176.021 176.870 0.306 0.000 1.072 48 L CA -0.383 54.705 54.840 0.412 0.000 0.819 48 L CB 0.590 43.020 42.059 0.619 0.000 1.176 48 L HN 0.247 nan 8.230 nan 0.000 0.435 49 V N 5.876 125.934 119.914 0.239 0.000 2.311 49 V HA 0.273 4.386 4.120 -0.011 0.000 0.275 49 V C 0.234 176.438 176.094 0.184 0.000 1.022 49 V CA -0.816 61.596 62.300 0.187 0.000 0.830 49 V CB 1.227 33.138 31.823 0.146 0.000 1.012 49 V HN 0.729 nan 8.190 nan 0.000 0.452 50 N N 4.301 123.109 118.700 0.180 0.000 2.439 50 N HA 0.279 5.012 4.740 -0.011 0.000 0.249 50 N C 0.207 175.799 175.510 0.136 0.000 1.003 50 N CA -0.100 53.051 53.050 0.168 0.000 0.942 50 N CB 1.385 39.976 38.487 0.174 0.000 1.115 50 N HN 0.666 nan 8.380 nan 0.000 0.505 51 Q N 2.695 122.572 119.800 0.128 0.000 2.157 51 Q HA 0.278 4.612 4.340 -0.011 0.000 0.229 51 Q C -0.079 175.984 176.000 0.105 0.000 0.827 51 Q CA -0.205 55.663 55.803 0.108 0.000 1.055 51 Q CB 0.520 29.317 28.738 0.100 0.000 1.157 51 Q HN 0.567 nan 8.270 nan 0.000 0.482 52 M N 0.566 120.234 119.600 0.114 0.000 2.248 52 M HA 0.032 4.505 4.480 -0.011 0.000 0.337 52 M C 0.951 177.312 176.300 0.101 0.000 1.121 52 M CA 0.848 56.213 55.300 0.109 0.000 1.155 52 M CB 0.769 33.440 32.600 0.118 0.000 1.514 52 M HN 0.131 nan 8.290 nan 0.000 0.452 53 T N -3.151 111.460 114.554 0.095 0.000 2.975 53 T HA 0.116 4.459 4.350 -0.011 0.000 0.261 53 T C 0.409 175.178 174.700 0.116 0.000 0.984 53 T CA -0.432 61.727 62.100 0.099 0.000 0.911 53 T CB 0.047 68.966 68.868 0.086 0.000 1.127 53 T HN 0.608 nan 8.240 nan 0.000 0.514 54 N N 2.675 121.428 118.700 0.089 0.000 2.437 54 N HA 0.053 4.786 4.740 -0.011 0.000 0.243 54 N C 1.226 176.749 175.510 0.020 0.000 1.041 54 N CA -0.176 52.900 53.050 0.043 0.000 0.940 54 N CB 0.619 39.105 38.487 -0.001 0.000 1.133 54 N HN 0.525 nan 8.380 nan 0.000 0.506 55 H N 2.160 121.258 119.070 0.047 0.000 2.456 55 H HA -0.048 4.501 4.556 -0.011 0.000 0.296 55 H C 0.647 176.002 175.328 0.045 0.000 1.079 55 H CA 1.218 57.294 56.048 0.047 0.000 1.322 55 H CB -0.395 29.388 29.762 0.036 0.000 1.388 55 H HN 0.349 nan 8.280 nan 0.000 0.538 56 T N 1.289 115.554 114.554 -0.483 0.000 2.867 56 T HA 0.008 4.351 4.350 -0.011 0.000 0.268 56 T C 1.942 176.588 174.700 -0.091 0.000 1.057 56 T CA 1.262 63.207 62.100 -0.259 0.000 1.136 56 T CB -0.116 68.569 68.868 -0.305 0.000 0.874 56 T HN 0.353 nan 8.240 nan 0.000 0.466 57 M N 0.713 120.274 119.600 -0.064 0.000 2.428 57 M HA 0.339 4.812 4.480 -0.011 0.000 0.239 57 M C -0.644 175.681 176.300 0.042 0.000 1.121 57 M CA 0.129 55.426 55.300 -0.004 0.000 1.019 57 M CB 0.130 32.734 32.600 0.007 0.000 1.485 57 M HN 0.103 nan 8.290 nan 0.000 0.484 58 L N 0.328 121.585 121.223 0.057 0.000 1.714 58 L HA -0.216 4.117 4.340 -0.011 0.000 0.484 58 L C 0.495 177.436 176.870 0.119 0.000 1.002 58 L CA -0.104 54.798 54.840 0.104 0.000 1.207 58 L CB -0.512 41.617 42.059 0.116 0.000 1.513 58 L HN 0.295 nan 8.230 nan 0.000 0.810 59 K N 0.050 120.531 120.400 0.136 0.000 2.296 59 K HA 0.011 4.324 4.320 -0.011 0.000 0.200 59 K C 1.057 177.745 176.600 0.145 0.000 1.048 59 K CA 1.352 57.719 56.287 0.133 0.000 0.966 59 K CB 0.111 32.687 32.500 0.127 0.000 0.754 59 K HN 0.791 nan 8.250 nan 0.000 0.466 60 T N -2.127 112.529 114.554 0.171 0.000 2.881 60 T HA 0.360 4.703 4.350 -0.011 0.000 0.278 60 T C 0.163 174.954 174.700 0.152 0.000 0.982 60 T CA -0.617 61.593 62.100 0.182 0.000 0.989 60 T CB 2.018 71.052 68.868 0.277 0.000 1.058 60 T HN -0.103 nan 8.240 nan 0.000 0.529 61 T N -0.404 114.227 114.554 0.128 0.000 2.769 61 T HA 0.647 4.990 4.350 -0.011 0.000 0.306 61 T C -1.813 172.949 174.700 0.103 0.000 1.400 61 T CA -0.380 61.795 62.100 0.125 0.000 1.007 61 T CB 1.342 70.307 68.868 0.161 0.000 1.392 61 T HN 1.411 nan 8.240 nan 0.000 0.500 62 S N 2.001 117.769 115.700 0.114 0.000 2.533 62 S HA 0.723 5.186 4.470 -0.011 0.000 0.271 62 S C -1.684 172.974 174.600 0.096 0.000 1.143 62 S CA -0.899 57.388 58.200 0.146 0.000 0.891 62 S CB 1.171 64.384 63.200 0.023 0.000 1.105 62 S HN 0.618 nan 8.310 nan 0.000 0.468 63 I N 3.437 124.017 120.570 0.018 0.000 2.406 63 I HA 0.450 4.613 4.170 -0.011 0.000 0.290 63 I C -0.196 175.441 176.117 -0.800 0.000 0.999 63 I CA -0.369 60.656 61.300 -0.458 0.000 1.124 63 I CB 1.176 38.711 38.000 -0.776 0.000 1.289 63 I HN 0.999 nan 8.210 nan 0.000 0.441 64 H N 5.646 124.187 119.070 -0.882 0.000 2.463 64 H HA 0.476 5.026 4.556 -0.010 0.000 0.332 64 H C -1.621 173.013 175.328 -1.156 0.000 1.127 64 H CA -0.566 54.959 56.048 -0.872 0.000 1.238 64 H CB 1.015 30.541 29.762 -0.392 0.000 1.478 64 H HN 0.429 nan 8.280 nan 0.000 0.499 65 W N 4.886 125.667 121.300 -0.865 0.000 2.298 65 W HA 0.217 4.870 4.660 -0.011 0.000 0.327 65 W C -0.287 175.606 176.519 -1.044 0.000 0.988 65 W CA -0.931 55.991 57.345 -0.706 0.000 1.448 65 W CB -0.029 29.100 29.460 -0.552 0.000 1.243 65 W HN 0.678 nan 8.180 nan 0.000 0.388 66 H N 1.867 120.313 119.070 -1.040 0.000 2.899 66 H HA 0.416 4.965 4.556 -0.011 0.000 0.303 66 H C 1.331 176.295 175.328 -0.606 0.000 1.042 66 H CA 1.611 57.095 56.048 -0.939 0.000 1.479 66 H CB 0.509 29.732 29.762 -0.898 0.000 1.493 66 H HN 0.790 nan 8.280 nan 0.000 0.534 67 G N 3.833 112.334 108.800 -0.499 0.000 2.218 67 G HA2 -0.254 3.699 3.960 -0.011 0.000 0.216 67 G HA3 -0.254 3.699 3.960 -0.011 0.000 0.216 67 G C -0.294 174.189 174.900 -0.695 0.000 0.994 67 G CA -0.135 44.788 45.100 -0.295 0.000 0.637 67 G HN 0.484 nan 8.290 nan 0.000 0.505 68 F N 1.040 120.655 119.950 -0.558 0.000 2.410 68 F HA 0.676 5.197 4.527 -0.011 0.000 0.348 68 F C 1.335 176.882 175.800 -0.422 0.000 1.106 68 F CA -1.188 56.382 58.000 -0.716 0.000 1.163 68 F CB 0.546 39.081 39.000 -0.775 0.000 1.129 68 F HN -0.092 nan 8.300 nan 0.000 0.516 69 F N 0.009 119.870 119.950 -0.148 0.000 2.293 69 F HA -0.099 4.421 4.527 -0.011 0.000 0.300 69 F C 1.360 176.989 175.800 -0.285 0.000 1.086 69 F CA 0.427 58.240 58.000 -0.312 0.000 1.375 69 F CB -0.788 38.047 39.000 -0.275 0.000 1.045 69 F HN 0.390 nan 8.300 nan 0.000 0.516 70 Q N 0.286 120.108 119.800 0.035 0.000 2.475 70 Q HA -0.275 4.058 4.340 -0.011 0.000 0.280 70 Q C 0.293 176.406 176.000 0.188 0.000 1.234 70 Q CA 0.629 56.468 55.803 0.059 0.000 0.873 70 Q CB -1.860 26.957 28.738 0.131 0.000 1.256 70 Q HN 0.533 nan 8.270 nan 0.000 0.475 71 K N 0.115 120.603 120.400 0.147 0.000 2.412 71 K HA 0.204 4.517 4.320 -0.011 0.000 0.284 71 K C 1.287 177.974 176.600 0.145 0.000 1.046 71 K CA 1.191 57.575 56.287 0.162 0.000 0.999 71 K CB -0.021 32.546 32.500 0.111 0.000 0.941 71 K HN 0.423 nan 8.250 nan 0.000 0.474 72 G N 2.792 111.690 108.800 0.164 0.000 2.205 72 G HA2 -0.284 3.670 3.960 -0.011 0.000 0.261 72 G HA3 -0.284 3.670 3.960 -0.011 0.000 0.261 72 G C 0.302 175.277 174.900 0.124 0.000 0.980 72 G CA 0.707 45.886 45.100 0.132 0.000 0.632 72 G HN 0.761 nan 8.290 nan 0.000 0.533 73 T N -2.026 112.549 114.554 0.035 0.000 3.483 73 T HA 0.405 4.749 4.350 -0.011 0.000 0.258 73 T C 1.011 175.462 174.700 -0.414 0.000 1.013 73 T CA 0.526 62.463 62.100 -0.271 0.000 1.078 73 T CB 0.403 69.073 68.868 -0.330 0.000 1.111 73 T HN 0.232 nan 8.240 nan 0.000 0.538 74 N N 1.836 120.439 118.700 -0.162 0.000 2.289 74 N HA -0.115 4.618 4.740 -0.011 0.000 0.184 74 N C 1.690 177.063 175.510 -0.229 0.000 1.016 74 N CA 1.660 54.581 53.050 -0.214 0.000 0.872 74 N CB -0.086 38.158 38.487 -0.405 0.000 0.973 74 N HN 0.868 nan 8.380 nan 0.000 0.433 75 W N 0.250 121.429 121.300 -0.201 0.000 2.468 75 W HA 0.078 4.731 4.660 -0.012 0.000 0.262 75 W C 1.145 177.754 176.519 0.149 0.000 1.241 75 W CA 0.566 57.742 57.345 -0.282 0.000 1.232 75 W CB -0.662 28.266 29.460 -0.887 0.000 1.124 75 W HN 0.040 nan 8.180 nan 0.000 0.597 76 A N 0.578 123.085 122.820 -0.522 0.000 2.308 76 A HA 0.010 4.323 4.320 -0.011 0.000 0.217 76 A C 1.501 179.238 177.584 0.255 0.000 1.216 76 A CA 0.894 52.828 52.037 -0.172 0.000 0.864 76 A CB -0.608 17.925 19.000 -0.777 0.000 0.902 76 A HN 0.151 nan 8.150 nan 0.000 0.499 77 D N -0.740 119.755 120.400 0.158 0.000 2.178 77 D HA 0.115 4.749 4.640 -0.011 0.000 0.202 77 D C 1.609 178.083 176.300 0.290 0.000 0.974 77 D CA 2.248 56.409 54.000 0.268 0.000 0.841 77 D CB 0.070 41.059 40.800 0.315 0.000 0.953 77 D HN 0.507 nan 8.370 nan 0.000 0.478 78 G N -1.082 107.851 108.800 0.222 0.000 2.376 78 G HA2 -0.206 3.748 3.960 -0.011 0.000 0.208 78 G HA3 -0.206 3.748 3.960 -0.011 0.000 0.208 78 G C -1.944 172.913 174.900 -0.070 0.000 1.032 78 G CA -0.208 44.969 45.100 0.128 0.000 0.641 78 G HN 0.297 nan 8.290 nan 0.000 0.503 79 P HA 0.418 nan 4.420 nan 0.000 0.260 79 P C 0.362 177.456 177.300 -0.343 0.000 1.185 79 P CA 0.978 63.712 63.100 -0.610 0.000 0.763 79 P CB 0.748 31.839 31.700 -1.015 0.000 0.776 80 A N 4.440 127.134 122.820 -0.210 0.000 2.520 80 A HA 0.282 4.595 4.320 -0.011 0.000 0.245 80 A C 0.435 177.817 177.584 -0.337 0.000 1.072 80 A CA 0.033 51.816 52.037 -0.423 0.000 0.761 80 A CB -1.082 17.702 19.000 -0.359 0.000 1.004 80 A HN 0.624 nan 8.150 nan 0.000 0.499 81 F N -0.318 119.541 119.950 -0.151 0.000 2.871 81 F HA -0.264 4.258 4.527 -0.010 0.000 0.326 81 F C 0.957 176.681 175.800 -0.126 0.000 0.675 81 F CA 0.906 58.839 58.000 -0.113 0.000 1.188 81 F CB -1.604 37.365 39.000 -0.051 0.000 1.567 81 F HN 0.477 nan 8.300 nan 0.000 0.325 82 I N -0.970 119.487 120.570 -0.189 0.000 3.132 82 I HA 0.084 4.247 4.170 -0.011 0.000 0.255 82 I C 1.558 177.581 176.117 -0.157 0.000 1.118 82 I CA 1.374 62.509 61.300 -0.276 0.000 1.463 82 I CB -0.976 36.604 38.000 -0.701 0.000 1.356 82 I HN 0.102 nan 8.210 nan 0.000 0.463 83 N N 0.071 118.687 118.700 -0.139 0.000 2.227 83 N HA 0.086 4.819 4.740 -0.011 0.000 0.196 83 N C 0.013 175.717 175.510 0.324 0.000 1.142 83 N CA -0.119 52.957 53.050 0.044 0.000 0.887 83 N CB 0.725 39.203 38.487 -0.016 0.000 1.022 83 N HN 0.489 nan 8.380 nan 0.000 0.500 84 Q N -1.469 118.378 119.800 0.080 0.000 2.702 84 Q HA 0.456 4.790 4.340 -0.011 0.000 0.289 84 Q C -1.564 174.157 176.000 -0.465 0.000 0.923 84 Q CA -0.933 54.821 55.803 -0.081 0.000 0.787 84 Q CB 0.699 29.428 28.738 -0.014 0.000 1.476 84 Q HN -0.100 nan 8.270 nan 0.000 0.402 85 c N 1.659 119.879 118.600 -0.633 0.000 2.520 85 c HA 0.570 5.133 4.570 -0.011 0.000 0.376 85 c C -2.024 171.619 174.090 -0.745 0.000 1.268 85 c CA -0.741 55.096 56.329 -0.820 0.000 2.414 85 c CB 0.086 42.241 42.510 -0.593 0.000 2.521 85 c HN 0.659 nan 8.230 nan 0.000 0.618 86 P HA 0.216 nan 4.420 nan 0.000 0.270 86 P C -0.813 176.364 177.300 -0.205 0.000 1.223 86 P CA 0.164 62.990 63.100 -0.457 0.000 0.785 86 P CB 0.284 31.750 31.700 -0.389 0.000 0.923 87 I N 0.905 121.441 120.570 -0.057 0.000 2.365 87 I HA 0.342 4.506 4.170 -0.011 0.000 0.291 87 I C 0.771 176.956 176.117 0.113 0.000 1.004 87 I CA -0.584 60.730 61.300 0.025 0.000 1.311 87 I CB 0.926 38.998 38.000 0.119 0.000 1.401 87 I HN 0.298 nan 8.210 nan 0.000 0.491 88 A N 4.796 127.686 122.820 0.117 0.000 2.371 88 A HA 0.339 4.653 4.320 -0.011 0.000 0.257 88 A C 0.359 178.014 177.584 0.118 0.000 1.089 88 A CA -0.262 51.852 52.037 0.128 0.000 0.794 88 A CB 0.632 19.689 19.000 0.095 0.000 1.029 88 A HN 0.693 nan 8.150 nan 0.000 0.488 89 S N 0.484 116.252 115.700 0.114 0.000 2.560 89 S HA 0.417 4.880 4.470 -0.011 0.000 0.284 89 S C 1.447 176.101 174.600 0.090 0.000 1.327 89 S CA 1.078 59.342 58.200 0.107 0.000 1.055 89 S CB -0.013 63.248 63.200 0.101 0.000 0.868 89 S HN 2.447 nan 8.310 nan 0.000 0.506 90 G N 3.897 112.752 108.800 0.092 0.000 2.199 90 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.254 90 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.254 90 G C -0.039 174.912 174.900 0.084 0.000 0.982 90 G CA 0.292 45.440 45.100 0.080 0.000 0.632 90 G HN 0.763 nan 8.290 nan 0.000 0.529 91 N N -0.506 118.254 118.700 0.101 0.000 2.471 91 N HA 0.707 5.441 4.740 -0.011 0.000 0.288 91 N C -0.677 174.920 175.510 0.145 0.000 1.220 91 N CA -0.393 52.724 53.050 0.111 0.000 0.893 91 N CB 1.594 40.143 38.487 0.104 0.000 1.256 91 N HN 0.139 nan 8.380 nan 0.000 0.534 92 S N 0.261 116.057 115.700 0.161 0.000 2.600 92 S HA 0.630 5.093 4.470 -0.011 0.000 0.300 92 S C -1.584 173.188 174.600 0.286 0.000 1.087 92 S CA -0.526 57.795 58.200 0.203 0.000 0.965 92 S CB 1.366 64.656 63.200 0.150 0.000 1.089 92 S HN 0.454 nan 8.310 nan 0.000 0.496 93 F N 1.919 121.941 119.950 0.120 0.000 2.588 93 F HA 0.560 5.081 4.527 -0.011 0.000 0.318 93 F C -1.820 174.033 175.800 0.088 0.000 1.155 93 F CA -0.990 57.049 58.000 0.065 0.000 0.967 93 F CB 0.973 39.977 39.000 0.006 0.000 1.236 93 F HN 0.419 nan 8.300 nan 0.000 0.455 94 L N 7.397 128.198 121.223 -0.704 0.000 2.260 94 L HA 0.431 4.765 4.340 -0.011 0.000 0.289 94 L C -1.544 174.986 176.870 -0.567 0.000 1.057 94 L CA -0.161 54.430 54.840 -0.416 0.000 0.811 94 L CB 0.017 41.944 42.059 -0.220 0.000 1.184 94 L HN 0.529 nan 8.230 nan 0.000 0.429 95 Y N 3.763 124.016 120.300 -0.078 0.000 2.404 95 Y HA 0.337 4.880 4.550 -0.011 0.000 0.344 95 Y C 0.070 175.988 175.900 0.030 0.000 0.995 95 Y CA -0.194 57.972 58.100 0.109 0.000 1.201 95 Y CB 0.682 39.318 38.460 0.292 0.000 1.151 95 Y HN 0.528 nan 8.280 nan 0.000 0.517 96 D N 5.850 126.403 120.400 0.255 0.000 2.440 96 D HA 0.301 4.934 4.640 -0.011 0.000 0.252 96 D C -1.269 175.111 176.300 0.133 0.000 1.180 96 D CA -0.353 53.713 54.000 0.111 0.000 0.894 96 D CB 0.167 41.087 40.800 0.199 0.000 1.111 96 D HN 0.295 nan 8.370 nan 0.000 0.544 97 F N 0.343 120.228 119.950 -0.110 0.000 2.715 97 F HA 0.646 5.166 4.527 -0.011 0.000 0.318 97 F C -0.972 174.766 175.800 -0.104 0.000 1.141 97 F CA -0.989 56.923 58.000 -0.147 0.000 0.950 97 F CB 1.141 39.977 39.000 -0.272 0.000 1.374 97 F HN 0.019 nan 8.300 nan 0.000 0.477 98 Q N 0.450 120.317 119.800 0.110 0.000 2.433 98 Q HA 0.658 4.992 4.340 -0.011 0.000 0.279 98 Q C -1.036 175.007 176.000 0.072 0.000 1.105 98 Q CA -1.376 54.433 55.803 0.010 0.000 0.815 98 Q CB 3.231 31.965 28.738 -0.006 0.000 1.403 98 Q HN 0.761 nan 8.270 nan 0.000 0.435 99 V N -1.710 118.204 119.914 -0.000 0.000 2.446 99 V HA 0.391 4.505 4.120 -0.011 0.000 0.257 99 V C -2.562 173.521 176.094 -0.018 0.000 1.036 99 V CA -2.011 60.254 62.300 -0.058 0.000 1.196 99 V CB -0.259 31.445 31.823 -0.198 0.000 1.446 99 V HN 0.532 nan 8.190 nan 0.000 0.558 100 P HA 0.278 nan 4.420 nan 0.000 0.268 100 P C 1.146 178.476 177.300 0.049 0.000 1.205 100 P CA 1.717 64.836 63.100 0.031 0.000 0.771 100 P CB 1.299 33.028 31.700 0.048 0.000 0.858 101 G N 1.615 110.446 108.800 0.052 0.000 2.184 101 G HA2 -0.236 3.717 3.960 -0.011 0.000 0.264 101 G HA3 -0.236 3.717 3.960 -0.011 0.000 0.264 101 G C -0.042 174.900 174.900 0.070 0.000 0.975 101 G CA -0.012 45.133 45.100 0.075 0.000 0.642 101 G HN 0.649 nan 8.290 nan 0.000 0.536 102 Q N -0.501 119.318 119.800 0.031 0.000 2.375 102 Q HA 0.737 5.070 4.340 -0.011 0.000 0.271 102 Q C -0.421 175.657 176.000 0.129 0.000 1.074 102 Q CA -0.125 55.699 55.803 0.035 0.000 0.808 102 Q CB 2.470 31.121 28.738 -0.146 0.000 1.327 102 Q HN 1.110 nan 8.270 nan 0.000 0.441 103 A N 0.951 123.904 122.820 0.221 0.000 2.532 103 A HA 0.886 5.199 4.320 -0.011 0.000 0.296 103 A C -0.602 177.142 177.584 0.267 0.000 1.058 103 A CA 0.170 52.363 52.037 0.261 0.000 0.729 103 A CB 1.630 20.731 19.000 0.169 0.000 1.285 103 A HN 0.872 nan 8.150 nan 0.000 0.396 104 G N -0.162 108.807 108.800 0.282 0.000 2.351 104 G HA2 0.540 4.493 3.960 -0.011 0.000 0.279 104 G HA3 0.540 4.493 3.960 -0.011 0.000 0.279 104 G C -0.911 173.858 174.900 -0.219 0.000 1.297 104 G CA 0.169 45.240 45.100 -0.048 0.000 0.886 104 G HN 1.137 nan 8.290 nan 0.000 0.493 105 T N 1.048 115.212 114.554 -0.649 0.000 2.770 105 T HA 0.742 5.086 4.350 -0.011 0.000 0.283 105 T C -0.988 173.200 174.700 -0.853 0.000 0.988 105 T CA 0.099 61.907 62.100 -0.487 0.000 0.957 105 T CB 0.762 69.428 68.868 -0.337 0.000 0.930 105 T HN 0.390 nan 8.240 nan 0.000 0.443 106 F N 1.315 121.242 119.950 -0.039 0.000 2.849 106 F HA 0.836 5.356 4.527 -0.011 0.000 0.341 106 F C -0.735 175.209 175.800 0.239 0.000 1.185 106 F CA -0.968 56.992 58.000 -0.067 0.000 1.007 106 F CB 1.508 40.223 39.000 -0.476 0.000 1.454 106 F HN 0.616 nan 8.300 nan 0.000 0.518 107 W N 0.218 121.599 121.300 0.134 0.000 2.923 107 W HA 0.620 5.273 4.660 -0.011 0.000 0.373 107 W C -2.488 174.213 176.519 0.305 0.000 1.205 107 W CA -1.764 55.709 57.345 0.214 0.000 1.180 107 W CB 0.475 29.914 29.460 -0.035 0.000 1.477 107 W HN 0.632 nan 8.180 nan 0.000 0.581 108 Y N 0.084 120.466 120.300 0.137 0.000 2.562 108 Y HA 0.774 5.317 4.550 -0.011 0.000 0.345 108 Y C -1.101 174.638 175.900 -0.267 0.000 1.045 108 Y CA -1.404 56.529 58.100 -0.279 0.000 1.028 108 Y CB 1.489 39.951 38.460 0.003 0.000 1.297 108 Y HN 0.778 nan 8.280 nan 0.000 0.463 109 H N -1.316 117.468 119.070 -0.476 0.000 3.037 109 H HA 0.525 5.074 4.556 -0.011 0.000 0.336 109 H C -1.129 174.073 175.328 -0.209 0.000 1.323 109 H CA -0.948 54.851 56.048 -0.415 0.000 1.159 109 H CB 0.970 30.245 29.762 -0.812 0.000 1.882 109 H HN 0.804 nan 8.280 nan 0.000 0.535 110 S N 0.318 116.101 115.700 0.138 0.000 2.558 110 S HA -0.041 4.423 4.470 -0.011 0.000 0.288 110 S C -0.042 174.735 174.600 0.295 0.000 1.318 110 S CA -0.097 58.208 58.200 0.175 0.000 1.056 110 S CB -0.060 63.273 63.200 0.221 0.000 0.853 110 S HN 0.819 nan 8.310 nan 0.000 0.505 111 H N 3.843 122.988 119.070 0.126 0.000 2.587 111 H HA 0.393 4.942 4.556 -0.011 0.000 0.245 111 H C -1.047 174.333 175.328 0.087 0.000 1.238 111 H CA -0.410 55.729 56.048 0.151 0.000 0.963 111 H CB 0.111 29.915 29.762 0.070 0.000 1.904 111 H HN 0.463 nan 8.280 nan 0.000 0.584 112 L N 0.818 122.162 121.223 0.202 0.000 2.319 112 L HA 0.363 4.697 4.340 -0.011 0.000 0.281 112 L C 0.681 177.628 176.870 0.128 0.000 1.005 112 L CA 0.438 55.375 54.840 0.161 0.000 0.828 112 L CB 1.298 43.429 42.059 0.119 0.000 1.227 112 L HN 0.302 nan 8.230 nan 0.000 0.415 113 S N 3.003 118.784 115.700 0.135 0.000 3.711 113 S HA -0.314 4.150 4.470 -0.011 0.000 0.625 113 S C 0.985 175.557 174.600 -0.048 0.000 2.458 113 S CA 1.949 60.189 58.200 0.066 0.000 4.059 113 S CB -1.369 61.878 63.200 0.078 0.000 0.257 113 S HN 1.349 nan 8.310 nan 0.000 0.974 114 T N 0.154 114.647 114.554 -0.102 0.000 3.244 114 T HA 0.344 4.687 4.350 -0.011 0.000 0.254 114 T C 1.288 175.855 174.700 -0.223 0.000 1.024 114 T CA 0.897 62.831 62.100 -0.277 0.000 0.920 114 T CB 0.266 68.955 68.868 -0.299 0.000 1.042 114 T HN 0.605 nan 8.240 nan 0.000 0.572 115 Q N 0.845 120.604 119.800 -0.067 0.000 2.170 115 Q HA -0.198 4.135 4.340 -0.011 0.000 0.203 115 Q C 1.891 177.942 176.000 0.085 0.000 0.976 115 Q CA 1.676 57.492 55.803 0.023 0.000 0.858 115 Q CB -0.355 28.437 28.738 0.090 0.000 0.907 115 Q HN 0.923 nan 8.270 nan 0.000 0.433 116 Y N -1.614 118.705 120.300 0.032 0.000 2.333 116 Y HA -0.186 4.357 4.550 -0.011 0.000 0.290 116 Y C 2.102 178.075 175.900 0.122 0.000 1.144 116 Y CA 0.788 58.946 58.100 0.097 0.000 1.228 116 Y CB -1.225 37.297 38.460 0.103 0.000 0.985 116 Y HN 0.171 nan 8.280 nan 0.000 0.542 117 c N 1.233 119.748 118.600 -0.143 0.000 2.422 117 c HA -0.156 4.407 4.570 -0.011 0.000 0.279 117 c C 2.100 176.212 174.090 0.037 0.000 1.305 117 c CA 1.635 57.917 56.329 -0.078 0.000 1.757 117 c CB -1.308 40.996 42.510 -0.343 0.000 1.962 117 c HN 0.631 nan 8.230 nan 0.000 0.499 118 D N -0.847 119.561 120.400 0.014 0.000 2.363 118 D HA 0.150 4.783 4.640 -0.011 0.000 0.226 118 D C 1.627 178.022 176.300 0.158 0.000 1.020 118 D CA 1.267 55.268 54.000 0.003 0.000 0.892 118 D CB 0.080 40.882 40.800 0.002 0.000 0.900 118 D HN 0.707 nan 8.370 nan 0.000 0.531 119 G N 0.140 109.124 108.800 0.307 0.000 2.935 119 G HA2 -0.170 3.783 3.960 -0.011 0.000 0.213 119 G HA3 -0.170 3.783 3.960 -0.011 0.000 0.213 119 G C 0.231 175.449 174.900 0.530 0.000 0.984 119 G CA -0.517 44.853 45.100 0.451 0.000 0.790 119 G HN 0.294 nan 8.290 nan 0.000 0.538 120 L N 2.699 124.147 121.223 0.376 0.000 2.399 120 L HA 0.602 4.936 4.340 -0.011 0.000 0.257 120 L C 0.415 177.419 176.870 0.224 0.000 1.236 120 L CA -0.445 54.561 54.840 0.277 0.000 1.144 120 L CB -0.460 41.735 42.059 0.226 0.000 1.379 120 L HN 0.401 nan 8.230 nan 0.000 0.414 121 R N 1.985 122.583 120.500 0.164 0.000 2.563 121 R HA 0.806 5.140 4.340 -0.011 0.000 0.262 121 R C -0.929 175.285 176.300 -0.142 0.000 1.128 121 R CA -0.908 55.228 56.100 0.060 0.000 0.969 121 R CB 1.221 31.727 30.300 0.345 0.000 1.251 121 R HN 0.293 nan 8.270 nan 0.000 0.442 122 G N 1.516 110.096 108.800 -0.367 0.000 2.600 122 G HA2 0.675 4.628 3.960 -0.011 0.000 0.293 122 G HA3 0.675 4.628 3.960 -0.011 0.000 0.293 122 G C -3.201 171.712 174.900 0.021 0.000 1.408 122 G CA -1.333 43.612 45.100 -0.257 0.000 0.782 122 G HN 0.405 nan 8.290 nan 0.000 0.482 123 P HA 0.631 nan 4.420 nan 0.000 0.282 123 P C -1.652 175.966 177.300 0.530 0.000 1.259 123 P CA -0.560 62.721 63.100 0.302 0.000 0.826 123 P CB 1.828 33.598 31.700 0.116 0.000 1.064 124 F N 1.228 121.378 119.950 0.334 0.000 2.653 124 F HA 0.357 4.877 4.527 -0.011 0.000 0.327 124 F C -1.720 174.235 175.800 0.257 0.000 1.195 124 F CA -0.888 57.304 58.000 0.320 0.000 0.993 124 F CB 1.189 40.450 39.000 0.436 0.000 1.259 124 F HN -0.049 nan 8.300 nan 0.000 0.478 125 V N 6.329 126.490 119.914 0.411 0.000 2.448 125 V HA 0.549 4.662 4.120 -0.011 0.000 0.295 125 V C -0.811 175.348 176.094 0.108 0.000 1.025 125 V CA -0.876 61.514 62.300 0.150 0.000 0.859 125 V CB 1.842 33.525 31.823 -0.233 0.000 0.988 125 V HN 0.489 nan 8.190 nan 0.000 0.431 126 V N 5.786 125.830 119.914 0.217 0.000 2.334 126 V HA 0.419 4.532 4.120 -0.011 0.000 0.281 126 V C -0.627 175.484 176.094 0.030 0.000 1.016 126 V CA -0.708 61.723 62.300 0.218 0.000 0.832 126 V CB 0.837 32.888 31.823 0.379 0.000 0.999 126 V HN 0.705 nan 8.190 nan 0.000 0.439 127 Y N 2.134 122.555 120.300 0.202 0.000 2.300 127 Y HA 0.429 4.973 4.550 -0.011 0.000 0.328 127 Y C 0.565 176.535 175.900 0.118 0.000 1.270 127 Y CA -0.474 57.710 58.100 0.139 0.000 1.352 127 Y CB 0.725 39.243 38.460 0.096 0.000 1.286 127 Y HN 0.535 nan 8.280 nan 0.000 0.536 128 D N 2.918 123.484 120.400 0.277 0.000 2.440 128 D HA 0.258 4.891 4.640 -0.011 0.000 0.239 128 D C -1.973 174.412 176.300 0.142 0.000 1.084 128 D CA -2.573 51.530 54.000 0.172 0.000 0.843 128 D CB 1.687 42.570 40.800 0.139 0.000 1.097 128 D HN 0.196 nan 8.370 nan 0.000 0.531 129 P HA -0.044 nan 4.420 nan 0.000 0.225 129 P C -0.203 177.118 177.300 0.035 0.000 1.148 129 P CA 0.711 63.843 63.100 0.053 0.000 0.779 129 P CB 0.285 32.002 31.700 0.028 0.000 0.780 130 N N -0.170 118.554 118.700 0.040 0.000 2.401 130 N HA 0.043 4.777 4.740 -0.011 0.000 0.264 130 N C -0.163 175.363 175.510 0.026 0.000 1.238 130 N CA -0.330 52.732 53.050 0.020 0.000 0.889 130 N CB 0.020 38.514 38.487 0.012 0.000 1.196 130 N HN -0.028 nan 8.380 nan 0.000 0.511 131 D N 2.055 122.489 120.400 0.057 0.000 2.520 131 D HA -0.037 4.596 4.640 -0.011 0.000 0.243 131 D C -1.087 175.230 176.300 0.028 0.000 1.160 131 D CA -1.019 53.027 54.000 0.077 0.000 0.877 131 D CB 1.139 42.040 40.800 0.168 0.000 1.150 131 D HN 0.210 nan 8.370 nan 0.000 0.494 132 P HA -0.128 nan 4.420 nan 0.000 0.225 132 P C 0.655 177.922 177.300 -0.056 0.000 1.148 132 P CA 0.914 63.965 63.100 -0.081 0.000 0.779 132 P CB 0.260 31.862 31.700 -0.163 0.000 0.780 133 H N -0.812 118.288 119.070 0.051 0.000 2.539 133 H HA 0.367 4.916 4.556 -0.011 0.000 0.269 133 H C 1.900 177.157 175.328 -0.118 0.000 0.980 133 H CA 0.193 56.275 56.048 0.057 0.000 1.152 133 H CB -0.257 29.622 29.762 0.194 0.000 1.407 133 H HN 0.072 nan 8.280 nan 0.000 0.564 134 A N 1.593 124.349 122.820 -0.106 0.000 1.986 134 A HA -0.273 4.041 4.320 -0.011 0.000 0.220 134 A C 2.183 179.408 177.584 -0.598 0.000 1.171 134 A CA 1.856 53.606 52.037 -0.478 0.000 0.640 134 A CB -0.670 18.207 19.000 -0.206 0.000 0.811 134 A HN 0.701 nan 8.150 nan 0.000 0.451 135 N N -0.346 118.181 118.700 -0.288 0.000 2.512 135 N HA 0.017 4.751 4.740 -0.011 0.000 0.183 135 N C 1.179 176.570 175.510 -0.199 0.000 1.073 135 N CA 0.931 53.857 53.050 -0.206 0.000 0.911 135 N CB -0.414 38.017 38.487 -0.092 0.000 0.964 135 N HN 0.472 nan 8.380 nan 0.000 0.447 136 L N -1.008 120.077 121.223 -0.230 0.000 2.554 136 L HA 0.155 4.488 4.340 -0.011 0.000 0.226 136 L C -0.366 176.497 176.870 -0.012 0.000 1.137 136 L CA -0.118 54.686 54.840 -0.060 0.000 0.863 136 L CB -0.427 41.679 42.059 0.078 0.000 0.985 136 L HN 0.341 nan 8.230 nan 0.000 0.451 137 Y N -5.174 115.090 120.300 -0.061 0.000 2.638 137 Y HA 0.400 4.943 4.550 -0.011 0.000 0.335 137 Y C -0.089 175.716 175.900 -0.157 0.000 1.155 137 Y CA -1.384 56.642 58.100 -0.124 0.000 1.046 137 Y CB 0.477 38.847 38.460 -0.150 0.000 1.303 137 Y HN -0.225 nan 8.280 nan 0.000 0.460 138 D N 0.443 120.813 120.400 -0.051 0.000 2.379 138 D HA 0.163 4.796 4.640 -0.011 0.000 0.218 138 D C -0.330 175.889 176.300 -0.134 0.000 1.006 138 D CA 0.938 54.853 54.000 -0.141 0.000 0.893 138 D CB 1.297 41.963 40.800 -0.223 0.000 1.019 138 D HN 0.254 nan 8.370 nan 0.000 0.503 139 V N 1.340 121.113 119.914 -0.235 0.000 2.588 139 V HA 0.401 4.515 4.120 -0.011 0.000 0.304 139 V C -1.122 174.859 176.094 -0.189 0.000 1.042 139 V CA -0.766 61.382 62.300 -0.253 0.000 0.877 139 V CB 2.381 33.914 31.823 -0.482 0.000 0.996 139 V HN -0.080 nan 8.190 nan 0.000 0.425 140 D N 3.196 123.535 120.400 -0.102 0.000 2.318 140 D HA 0.512 5.145 4.640 -0.011 0.000 0.233 140 D C -1.138 175.144 176.300 -0.030 0.000 1.348 140 D CA -0.182 53.755 54.000 -0.106 0.000 0.983 140 D CB 1.290 42.061 40.800 -0.047 0.000 1.416 140 D HN 0.749 nan 8.370 nan 0.000 0.558 141 D N 0.560 120.962 120.400 0.003 0.000 2.946 141 D HA 0.143 4.776 4.640 -0.011 0.000 0.337 141 D C 0.857 177.210 176.300 0.089 0.000 1.332 141 D CA -0.591 53.427 54.000 0.030 0.000 0.935 141 D CB 0.164 40.943 40.800 -0.035 0.000 1.440 141 D HN 0.143 nan 8.370 nan 0.000 0.540 142 E N -0.397 119.851 120.200 0.080 0.000 2.160 142 E HA -0.183 4.160 4.350 -0.011 0.000 0.195 142 E C 1.341 177.976 176.600 0.059 0.000 0.991 142 E CA 1.688 58.135 56.400 0.079 0.000 0.810 142 E CB -0.052 29.685 29.700 0.061 0.000 0.742 142 E HN 0.399 nan 8.360 nan 0.000 0.466 143 S N -0.815 114.917 115.700 0.052 0.000 2.561 143 S HA -0.067 4.397 4.470 -0.011 0.000 0.225 143 S C 1.660 176.326 174.600 0.111 0.000 0.977 143 S CA 0.957 59.196 58.200 0.065 0.000 0.926 143 S CB -0.091 63.145 63.200 0.059 0.000 0.769 143 S HN 0.331 nan 8.310 nan 0.000 0.533 144 T N -1.134 113.468 114.554 0.081 0.000 3.092 144 T HA 0.408 4.751 4.350 -0.011 0.000 0.258 144 T C 0.148 174.931 174.700 0.138 0.000 1.031 144 T CA -0.371 61.788 62.100 0.098 0.000 0.925 144 T CB -0.076 68.636 68.868 -0.261 0.000 1.036 144 T HN 0.119 nan 8.240 nan 0.000 0.544 145 V N 2.533 122.493 119.914 0.077 0.000 2.498 145 V HA 0.452 4.566 4.120 -0.011 0.000 0.279 145 V C 0.027 176.124 176.094 0.006 0.000 1.048 145 V CA -0.685 61.629 62.300 0.022 0.000 0.967 145 V CB 0.925 32.756 31.823 0.013 0.000 0.988 145 V HN 0.479 nan 8.190 nan 0.000 0.473 146 I N 4.758 125.295 120.570 -0.054 0.000 2.411 146 I HA 0.343 4.506 4.170 -0.011 0.000 0.284 146 I C 0.316 176.338 176.117 -0.158 0.000 1.012 146 I CA -0.311 60.931 61.300 -0.097 0.000 1.119 146 I CB 1.970 39.898 38.000 -0.121 0.000 1.261 146 I HN 0.692 nan 8.210 nan 0.000 0.448 147 T N 4.936 119.394 114.554 -0.160 0.000 2.907 147 T HA 0.717 5.060 4.350 -0.011 0.000 0.284 147 T C -0.430 174.133 174.700 -0.228 0.000 1.004 147 T CA -0.734 61.236 62.100 -0.216 0.000 1.063 147 T CB 1.555 70.291 68.868 -0.220 0.000 0.992 147 T HN 0.328 nan 8.240 nan 0.000 0.483 148 L N 2.064 123.117 121.223 -0.284 0.000 2.333 148 L HA 0.755 5.088 4.340 -0.011 0.000 0.280 148 L C -0.072 176.653 176.870 -0.242 0.000 1.004 148 L CA -1.150 53.483 54.840 -0.345 0.000 0.820 148 L CB 1.610 43.368 42.059 -0.502 0.000 1.247 148 L HN 0.981 nan 8.230 nan 0.000 0.416 149 A N 2.134 124.873 122.820 -0.134 0.000 2.398 149 A HA 0.590 4.904 4.320 -0.011 0.000 0.301 149 A C -1.195 176.520 177.584 0.219 0.000 1.041 149 A CA -0.798 51.305 52.037 0.111 0.000 0.711 149 A CB 1.237 20.380 19.000 0.238 0.000 1.240 149 A HN 0.719 nan 8.150 nan 0.000 0.420 150 D N 1.704 122.298 120.400 0.324 0.000 2.350 150 D HA 0.194 4.828 4.640 -0.011 0.000 0.249 150 D C -0.428 176.040 176.300 0.279 0.000 1.119 150 D CA -0.085 54.055 54.000 0.234 0.000 0.886 150 D CB 0.996 41.911 40.800 0.191 0.000 1.195 150 D HN 0.593 nan 8.370 nan 0.000 0.437 151 W N 2.913 124.076 121.300 -0.230 0.000 2.739 151 W HA 0.386 5.039 4.660 -0.010 0.000 0.331 151 W C -1.923 174.348 176.519 -0.414 0.000 1.049 151 W CA -0.928 56.336 57.345 -0.136 0.000 1.234 151 W CB 1.611 31.077 29.460 0.010 0.000 1.404 151 W HN 0.314 nan 8.180 nan 0.000 0.477 152 Y N 3.159 123.051 120.300 -0.680 0.000 2.393 152 Y HA 0.226 4.769 4.550 -0.011 0.000 0.341 152 Y C 1.294 176.942 175.900 -0.419 0.000 0.988 152 Y CA -0.554 57.275 58.100 -0.453 0.000 1.078 152 Y CB 1.688 39.962 38.460 -0.311 0.000 1.203 152 Y HN 0.462 nan 8.280 nan 0.000 0.453 153 H N 0.643 119.626 119.070 -0.146 0.000 2.502 153 H HA 0.119 4.668 4.556 -0.011 0.000 0.283 153 H C -0.291 175.051 175.328 0.024 0.000 1.015 153 H CA 0.227 56.243 56.048 -0.055 0.000 1.298 153 H CB 0.513 30.084 29.762 -0.318 0.000 1.411 153 H HN 0.176 nan 8.280 nan 0.000 0.556 154 V N 1.342 121.311 119.914 0.091 0.000 2.513 154 V HA 0.408 4.521 4.120 -0.011 0.000 0.299 154 V C 0.251 176.327 176.094 -0.030 0.000 1.035 154 V CA -0.880 61.444 62.300 0.040 0.000 0.889 154 V CB 1.453 33.288 31.823 0.019 0.000 0.988 154 V HN 0.295 nan 8.190 nan 0.000 0.440 155 A N 3.538 126.332 122.820 -0.044 0.000 2.448 155 A HA 0.542 4.856 4.320 -0.011 0.000 0.239 155 A C 1.636 179.165 177.584 -0.092 0.000 1.080 155 A CA 0.531 52.518 52.037 -0.083 0.000 0.779 155 A CB 0.149 19.113 19.000 -0.059 0.000 1.026 155 A HN 1.401 nan 8.150 nan 0.000 0.499 156 A N 0.634 123.395 122.820 -0.098 0.000 1.940 156 A HA -0.093 4.220 4.320 -0.011 0.000 0.219 156 A C 1.815 179.376 177.584 -0.037 0.000 1.176 156 A CA 1.732 53.733 52.037 -0.059 0.000 0.631 156 A CB -0.283 18.677 19.000 -0.067 0.000 0.814 156 A HN 0.665 nan 8.150 nan 0.000 0.446 157 K N -0.604 119.772 120.400 -0.041 0.000 2.444 157 K HA 0.263 4.576 4.320 -0.011 0.000 0.193 157 K C 1.210 177.785 176.600 -0.040 0.000 1.024 157 K CA 0.338 56.605 56.287 -0.033 0.000 1.077 157 K CB 0.058 32.546 32.500 -0.021 0.000 0.833 157 K HN 0.555 nan 8.250 nan 0.000 0.517 158 L N -1.039 120.156 121.223 -0.048 0.000 2.537 158 L HA 0.167 4.500 4.340 -0.011 0.000 0.224 158 L C 1.403 178.242 176.870 -0.051 0.000 1.065 158 L CA -0.030 54.786 54.840 -0.041 0.000 0.860 158 L CB 0.086 42.128 42.059 -0.029 0.000 1.086 158 L HN 0.010 nan 8.230 nan 0.000 0.482 159 G N 0.165 108.919 108.800 -0.075 0.000 2.510 159 G HA2 0.400 4.353 3.960 -0.011 0.000 0.280 159 G HA3 0.400 4.353 3.960 -0.011 0.000 0.280 159 G C -2.429 172.395 174.900 -0.126 0.000 1.386 159 G CA -0.756 44.287 45.100 -0.095 0.000 1.047 159 G HN -0.081 nan 8.290 nan 0.000 0.527 160 P HA 0.186 nan 4.420 nan 0.000 0.269 160 P C 0.855 177.994 177.300 -0.269 0.000 1.215 160 P CA -0.372 62.630 63.100 -0.163 0.000 0.780 160 P CB 0.939 32.562 31.700 -0.129 0.000 0.898 161 R N 1.502 121.821 120.500 -0.301 0.000 2.103 161 R HA -0.081 4.252 4.340 -0.011 0.000 0.242 161 R C -0.071 175.775 176.300 -0.756 0.000 1.142 161 R CA 1.414 57.192 56.100 -0.536 0.000 0.960 161 R CB -0.208 29.679 30.300 -0.688 0.000 0.858 161 R HN 0.455 nan 8.270 nan 0.000 0.439 162 F N 1.181 121.056 119.950 -0.125 0.000 2.564 162 F HA 0.405 4.925 4.527 -0.013 0.000 0.368 162 F C -2.099 173.541 175.800 -0.268 0.000 1.127 162 F CA -2.595 55.303 58.000 -0.170 0.000 1.170 162 F CB 1.501 40.525 39.000 0.040 0.000 1.397 162 F HN -0.089 nan 8.300 nan 0.000 0.493 163 P HA 0.021 nan 4.420 nan 0.000 0.266 163 P C 0.161 177.482 177.300 0.035 0.000 1.193 163 P CA -0.173 62.796 63.100 -0.219 0.000 0.770 163 P CB 0.901 32.368 31.700 -0.387 0.000 0.836 164 K N 0.687 121.136 120.400 0.083 0.000 2.366 164 K HA 0.329 4.642 4.320 -0.011 0.000 0.198 164 K C 1.148 177.953 176.600 0.341 0.000 1.044 164 K CA 0.419 56.781 56.287 0.125 0.000 0.973 164 K CB -0.321 32.215 32.500 0.061 0.000 0.767 164 K HN 0.700 nan 8.250 nan 0.000 0.475 165 G N -0.979 108.025 108.800 0.341 0.000 2.321 165 G HA2 0.471 4.425 3.960 -0.011 0.000 0.298 165 G HA3 0.471 4.425 3.960 -0.011 0.000 0.298 165 G C -1.593 173.326 174.900 0.032 0.000 1.385 165 G CA -0.611 44.617 45.100 0.213 0.000 0.856 165 G HN 0.189 nan 8.290 nan 0.000 0.584 166 A N -0.660 122.001 122.820 -0.265 0.000 2.287 166 A HA 0.656 4.969 4.320 -0.011 0.000 0.273 166 A C 0.838 178.150 177.584 -0.452 0.000 1.091 166 A CA 0.245 51.871 52.037 -0.685 0.000 0.817 166 A CB 0.481 19.015 19.000 -0.777 0.000 1.069 166 A HN 0.555 nan 8.150 nan 0.000 0.492 167 D N -0.424 119.646 120.400 -0.551 0.000 2.249 167 D HA 0.054 4.687 4.640 -0.011 0.000 0.205 167 D C 0.421 176.531 176.300 -0.316 0.000 0.962 167 D CA 1.659 55.357 54.000 -0.504 0.000 0.860 167 D CB 0.152 40.350 40.800 -1.004 0.000 0.955 167 D HN 0.592 nan 8.370 nan 0.000 0.505 168 S N -1.230 114.351 115.700 -0.198 0.000 2.570 168 S HA 0.426 4.889 4.470 -0.011 0.000 0.270 168 S C -0.689 173.912 174.600 0.002 0.000 1.149 168 S CA -0.874 57.302 58.200 -0.040 0.000 0.837 168 S CB 2.300 65.554 63.200 0.090 0.000 1.124 168 S HN -0.189 nan 8.310 nan 0.000 0.465 169 T N 2.486 117.047 114.554 0.012 0.000 2.767 169 T HA 0.537 4.880 4.350 -0.011 0.000 0.284 169 T C -0.470 174.226 174.700 -0.006 0.000 0.973 169 T CA -0.490 61.617 62.100 0.012 0.000 0.996 169 T CB 0.191 69.050 68.868 -0.015 0.000 0.927 169 T HN 0.515 nan 8.240 nan 0.000 0.456 170 L N 4.459 125.680 121.223 -0.003 0.000 2.296 170 L HA 0.588 4.921 4.340 -0.011 0.000 0.286 170 L C -0.296 176.521 176.870 -0.088 0.000 1.023 170 L CA -0.817 54.014 54.840 -0.016 0.000 0.812 170 L CB 1.221 43.303 42.059 0.039 0.000 1.223 170 L HN 0.493 nan 8.230 nan 0.000 0.421 171 I N 3.966 124.489 120.570 -0.077 0.000 2.362 171 I HA 0.257 4.420 4.170 -0.011 0.000 0.289 171 I C -0.073 175.995 176.117 -0.082 0.000 0.994 171 I CA -0.582 60.666 61.300 -0.087 0.000 1.158 171 I CB 1.294 39.268 38.000 -0.043 0.000 1.315 171 I HN 0.653 nan 8.210 nan 0.000 0.451 172 N N 5.185 123.819 118.700 -0.111 0.000 2.716 172 N HA -0.210 4.524 4.740 -0.011 0.000 0.250 172 N C 0.918 176.353 175.510 -0.125 0.000 1.033 172 N CA 1.375 54.357 53.050 -0.114 0.000 0.727 172 N CB -0.965 37.478 38.487 -0.073 0.000 0.950 172 N HN 1.151 nan 8.380 nan 0.000 0.541 173 G N -2.161 106.544 108.800 -0.159 0.000 2.179 173 G HA2 -0.302 3.652 3.960 -0.011 0.000 0.260 173 G HA3 -0.302 3.652 3.960 -0.011 0.000 0.260 173 G C -0.103 174.755 174.900 -0.071 0.000 0.977 173 G CA 0.623 45.630 45.100 -0.155 0.000 0.641 173 G HN 0.459 nan 8.290 nan 0.000 0.533 174 L N -0.707 120.485 121.223 -0.052 0.000 2.401 174 L HA 0.842 5.176 4.340 -0.011 0.000 0.266 174 L C 0.511 177.379 176.870 -0.004 0.000 0.991 174 L CA -0.413 54.412 54.840 -0.024 0.000 0.818 174 L CB 2.303 44.354 42.059 -0.013 0.000 1.321 174 L HN 0.559 nan 8.230 nan 0.000 0.413 175 G N 1.388 110.199 108.800 0.018 0.000 2.349 175 G HA2 0.467 4.420 3.960 -0.011 0.000 0.294 175 G HA3 0.467 4.420 3.960 -0.011 0.000 0.294 175 G C -2.003 172.931 174.900 0.057 0.000 1.380 175 G CA -0.883 44.238 45.100 0.035 0.000 0.811 175 G HN 0.416 nan 8.290 nan 0.000 0.519 176 R N -0.289 120.243 120.500 0.054 0.000 2.711 176 R HA 0.724 5.057 4.340 -0.011 0.000 0.284 176 R C 0.241 176.573 176.300 0.054 0.000 0.968 176 R CA -0.526 55.612 56.100 0.063 0.000 0.924 176 R CB 2.004 32.333 30.300 0.048 0.000 1.162 176 R HN 0.762 nan 8.270 nan 0.000 0.465 177 S N -0.763 114.987 115.700 0.082 0.000 2.722 177 S HA 0.130 4.594 4.470 -0.011 0.000 0.292 177 S C 1.287 175.900 174.600 0.022 0.000 1.135 177 S CA -0.344 57.882 58.200 0.043 0.000 1.003 177 S CB 1.547 64.810 63.200 0.106 0.000 1.067 177 S HN 0.724 nan 8.310 nan 0.000 0.546 178 T N -1.143 113.401 114.554 -0.016 0.000 2.881 178 T HA -0.126 4.218 4.350 -0.011 0.000 0.270 178 T C 1.739 176.445 174.700 0.009 0.000 1.068 178 T CA 1.498 63.589 62.100 -0.016 0.000 1.131 178 T CB -1.028 67.817 68.868 -0.037 0.000 0.871 178 T HN 0.883 nan 8.240 nan 0.000 0.479 179 S N 1.331 117.048 115.700 0.029 0.000 2.558 179 S HA 0.088 4.551 4.470 -0.011 0.000 0.217 179 S C 1.168 175.809 174.600 0.068 0.000 0.975 179 S CA 0.203 58.429 58.200 0.043 0.000 0.912 179 S CB -0.508 62.712 63.200 0.034 0.000 0.776 179 S HN 0.717 nan 8.310 nan 0.000 0.526 180 T N -0.615 113.988 114.554 0.081 0.000 3.585 180 T HA 0.442 4.785 4.350 -0.011 0.000 0.252 180 T C -2.117 172.624 174.700 0.068 0.000 1.382 180 T CA -1.278 60.875 62.100 0.089 0.000 1.584 180 T CB 1.168 70.112 68.868 0.127 0.000 0.892 180 T HN 0.073 nan 8.240 nan 0.000 0.671 181 P HA -0.010 nan 4.420 nan 0.000 0.234 181 P C 1.096 178.427 177.300 0.053 0.000 1.167 181 P CA 0.759 63.885 63.100 0.043 0.000 0.763 181 P CB -0.156 31.563 31.700 0.031 0.000 0.835 182 T N -4.375 110.211 114.554 0.055 0.000 3.129 182 T HA 0.536 4.880 4.350 -0.011 0.000 0.267 182 T C 0.792 175.526 174.700 0.056 0.000 1.018 182 T CA -0.453 61.679 62.100 0.055 0.000 0.903 182 T CB -0.311 68.584 68.868 0.045 0.000 1.067 182 T HN 0.037 nan 8.240 nan 0.000 0.549 183 A N 1.593 124.451 122.820 0.063 0.000 2.466 183 A HA 0.391 4.705 4.320 -0.011 0.000 0.238 183 A C 0.109 177.726 177.584 0.055 0.000 1.074 183 A CA -0.423 51.650 52.037 0.060 0.000 0.774 183 A CB -0.093 18.951 19.000 0.072 0.000 1.015 183 A HN 0.462 nan 8.150 nan 0.000 0.498 184 D N 0.594 121.020 120.400 0.043 0.000 2.488 184 D HA 0.273 4.907 4.640 -0.011 0.000 0.238 184 D C 0.005 176.330 176.300 0.042 0.000 1.138 184 D CA 0.821 54.843 54.000 0.036 0.000 0.873 184 D CB 0.355 41.168 40.800 0.022 0.000 1.183 184 D HN 0.372 nan 8.370 nan 0.000 0.458 185 L N 1.276 122.529 121.223 0.049 0.000 2.360 185 L HA 0.511 4.845 4.340 -0.011 0.000 0.271 185 L C 0.740 177.627 176.870 0.030 0.000 1.057 185 L CA -1.117 53.759 54.840 0.059 0.000 0.803 185 L CB 1.269 43.394 42.059 0.109 0.000 1.207 185 L HN 0.338 nan 8.230 nan 0.000 0.445 186 A N 2.184 125.016 122.820 0.021 0.000 2.407 186 A HA 0.512 4.825 4.320 -0.011 0.000 0.248 186 A C -0.394 177.187 177.584 -0.005 0.000 1.082 186 A CA -0.227 51.809 52.037 -0.001 0.000 0.785 186 A CB 0.455 19.446 19.000 -0.015 0.000 1.020 186 A HN 0.408 nan 8.150 nan 0.000 0.489 187 V N 3.151 123.054 119.914 -0.018 0.000 2.487 187 V HA 0.369 4.482 4.120 -0.011 0.000 0.298 187 V C -0.799 175.274 176.094 -0.036 0.000 1.028 187 V CA -0.253 62.029 62.300 -0.029 0.000 0.860 187 V CB 1.301 33.108 31.823 -0.027 0.000 0.991 187 V HN 0.680 nan 8.190 nan 0.000 0.427 188 I N 3.568 124.103 120.570 -0.058 0.000 2.362 188 I HA 0.416 4.579 4.170 -0.011 0.000 0.289 188 I C 0.464 176.533 176.117 -0.080 0.000 0.994 188 I CA 0.481 61.742 61.300 -0.067 0.000 1.158 188 I CB 1.864 39.778 38.000 -0.143 0.000 1.315 188 I HN 0.526 nan 8.210 nan 0.000 0.451 189 S N 5.353 121.017 115.700 -0.060 0.000 2.508 189 S HA 0.792 5.256 4.470 -0.011 0.000 0.284 189 S C -0.235 174.248 174.600 -0.195 0.000 1.192 189 S CA -0.651 57.497 58.200 -0.086 0.000 1.070 189 S CB 1.428 64.607 63.200 -0.034 0.000 1.004 189 S HN 0.487 nan 8.310 nan 0.000 0.493 190 V N 0.539 120.279 119.914 -0.290 0.000 3.078 190 V HA 0.800 4.914 4.120 -0.011 0.000 0.311 190 V C -0.535 175.406 176.094 -0.255 0.000 1.138 190 V CA -0.783 61.234 62.300 -0.471 0.000 1.007 190 V CB 1.863 33.186 31.823 -0.832 0.000 1.045 190 V HN 0.661 nan 8.190 nan 0.000 0.432 191 T N 2.174 116.710 114.554 -0.030 0.000 2.779 191 T HA 0.427 4.770 4.350 -0.011 0.000 0.280 191 T C -0.256 174.478 174.700 0.056 0.000 0.987 191 T CA -0.451 61.674 62.100 0.043 0.000 0.966 191 T CB 1.237 70.170 68.868 0.109 0.000 0.933 191 T HN 0.976 nan 8.240 nan 0.000 0.442 192 K N 1.642 122.126 120.400 0.140 0.000 2.489 192 K HA 0.295 4.608 4.320 -0.011 0.000 0.278 192 K C 1.332 178.032 176.600 0.166 0.000 1.000 192 K CA 1.303 57.745 56.287 0.259 0.000 1.012 192 K CB -0.210 32.506 32.500 0.360 0.000 0.903 192 K HN 0.888 nan 8.250 nan 0.000 0.485 193 G N 2.941 111.839 108.800 0.163 0.000 2.213 193 G HA2 -0.246 3.708 3.960 -0.011 0.000 0.236 193 G HA3 -0.246 3.708 3.960 -0.011 0.000 0.236 193 G C -0.286 174.654 174.900 0.068 0.000 0.991 193 G CA 0.118 45.279 45.100 0.103 0.000 0.629 193 G HN 0.575 nan 8.290 nan 0.000 0.517 194 K N 0.327 120.777 120.400 0.084 0.000 2.098 194 K HA 0.668 4.981 4.320 -0.011 0.000 0.258 194 K C 0.207 176.791 176.600 -0.026 0.000 0.973 194 K CA -0.693 55.568 56.287 -0.043 0.000 0.898 194 K CB 1.191 33.591 32.500 -0.166 0.000 1.057 194 K HN 0.192 nan 8.250 nan 0.000 0.447 195 R N 1.554 121.931 120.500 -0.204 0.000 2.514 195 R HA 0.352 4.685 4.340 -0.011 0.000 0.301 195 R C -1.137 174.921 176.300 -0.404 0.000 0.962 195 R CA -0.666 55.377 56.100 -0.095 0.000 0.882 195 R CB 0.904 31.203 30.300 -0.003 0.000 1.143 195 R HN 0.470 nan 8.270 nan 0.000 0.452 196 Y N 0.654 120.856 120.300 -0.163 0.000 2.409 196 Y HA 0.341 4.884 4.550 -0.011 0.000 0.343 196 Y C 0.175 175.712 175.900 -0.606 0.000 0.973 196 Y CA -0.936 56.864 58.100 -0.500 0.000 1.064 196 Y CB 1.822 39.687 38.460 -0.993 0.000 1.207 196 Y HN 0.315 nan 8.280 nan 0.000 0.452 197 R N 4.161 124.257 120.500 -0.673 0.000 2.296 197 R HA 0.358 4.691 4.340 -0.011 0.000 0.327 197 R C -1.584 174.291 176.300 -0.710 0.000 1.137 197 R CA -0.204 55.412 56.100 -0.807 0.000 1.020 197 R CB -0.169 29.344 30.300 -1.311 0.000 1.110 197 R HN 0.592 nan 8.270 nan 0.000 0.499 198 F N 3.303 122.887 119.950 -0.611 0.000 2.410 198 F HA 0.340 4.860 4.527 -0.011 0.000 0.348 198 F C 0.835 176.213 175.800 -0.704 0.000 1.106 198 F CA -0.485 57.077 58.000 -0.730 0.000 1.163 198 F CB 1.186 39.502 39.000 -1.141 0.000 1.129 198 F HN 0.244 nan 8.300 nan 0.000 0.516 199 R N 3.984 124.352 120.500 -0.219 0.000 2.272 199 R HA 0.369 4.702 4.340 -0.011 0.000 0.323 199 R C -1.327 174.870 176.300 -0.173 0.000 1.002 199 R CA -0.943 55.039 56.100 -0.197 0.000 0.900 199 R CB 1.207 31.416 30.300 -0.153 0.000 1.151 199 R HN 0.432 nan 8.270 nan 0.000 0.507 200 L N 4.267 125.386 121.223 -0.174 0.000 2.265 200 L HA 0.337 4.670 4.340 -0.011 0.000 0.288 200 L C -0.894 175.838 176.870 -0.230 0.000 1.058 200 L CA -0.337 54.378 54.840 -0.209 0.000 0.809 200 L CB 1.589 43.533 42.059 -0.192 0.000 1.179 200 L HN 0.275 nan 8.230 nan 0.000 0.429 201 V N 4.261 124.005 119.914 -0.283 0.000 2.407 201 V HA 0.380 4.493 4.120 -0.011 0.000 0.291 201 V C 0.079 175.888 176.094 -0.475 0.000 1.018 201 V CA -0.593 61.477 62.300 -0.382 0.000 0.842 201 V CB 1.503 33.125 31.823 -0.335 0.000 0.996 201 V HN 0.812 nan 8.190 nan 0.000 0.426 202 S N 5.368 120.732 115.700 -0.560 0.000 2.448 202 S HA 0.420 4.884 4.470 -0.011 0.000 0.279 202 S C 0.479 174.463 174.600 -1.026 0.000 1.195 202 S CA -0.507 57.363 58.200 -0.550 0.000 1.051 202 S CB 0.152 63.139 63.200 -0.355 0.000 0.948 202 S HN 0.628 nan 8.310 nan 0.000 0.493 203 L N 4.220 124.974 121.223 -0.782 0.000 2.728 203 L HA 0.260 4.593 4.340 -0.011 0.000 0.235 203 L C 1.100 177.808 176.870 -0.270 0.000 1.197 203 L CA -0.309 53.990 54.840 -0.902 0.000 0.992 203 L CB -0.121 41.721 42.059 -0.362 0.000 1.263 203 L HN 0.547 nan 8.230 nan 0.000 0.484 204 S N -0.704 114.902 115.700 -0.158 0.000 2.564 204 S HA 0.030 4.493 4.470 -0.011 0.000 0.278 204 S C 1.317 176.123 174.600 0.342 0.000 1.333 204 S CA -0.747 57.551 58.200 0.163 0.000 1.048 204 S CB 0.876 64.161 63.200 0.141 0.000 0.900 204 S HN 0.440 nan 8.310 nan 0.000 0.505 205 c N 3.159 121.965 118.600 0.343 0.000 2.481 205 c HA 0.194 4.758 4.570 -0.011 0.000 0.275 205 c C 1.573 175.713 174.090 0.084 0.000 1.419 205 c CA 0.137 56.515 56.329 0.081 0.000 1.773 205 c CB -1.207 41.174 42.510 -0.215 0.000 1.862 205 c HN 0.985 nan 8.230 nan 0.000 0.530 206 D N -0.982 119.538 120.400 0.200 0.000 2.334 206 D HA 0.075 4.709 4.640 -0.011 0.000 0.095 206 D C -2.469 173.891 176.300 0.100 0.000 1.492 206 D CA 0.319 54.448 54.000 0.215 0.000 1.287 206 D CB -0.889 40.192 40.800 0.469 0.000 2.525 206 D HN 0.077 nan 8.370 nan 0.000 0.221 207 P HA 0.187 nan 4.420 nan 0.000 0.269 207 P C -0.568 176.449 177.300 -0.471 0.000 1.215 207 P CA 0.028 62.883 63.100 -0.408 0.000 0.780 207 P CB 0.317 31.518 31.700 -0.831 0.000 0.898 208 N N 0.570 119.004 118.700 -0.444 0.000 2.495 208 N HA 0.321 5.055 4.740 -0.011 0.000 0.280 208 N C -1.316 173.751 175.510 -0.738 0.000 1.168 208 N CA -0.418 52.311 53.050 -0.535 0.000 0.978 208 N CB 0.333 38.412 38.487 -0.681 0.000 1.191 208 N HN 0.289 nan 8.380 nan 0.000 0.497 209 Y N -1.124 119.032 120.300 -0.239 0.000 2.425 209 Y HA 0.399 4.943 4.550 -0.011 0.000 0.344 209 Y C -0.280 175.549 175.900 -0.119 0.000 0.969 209 Y CA -0.939 57.077 58.100 -0.141 0.000 1.052 209 Y CB 2.358 40.781 38.460 -0.062 0.000 1.215 209 Y HN 0.469 nan 8.280 nan 0.000 0.451 210 T N 4.774 119.377 114.554 0.081 0.000 2.738 210 T HA 0.296 4.639 4.350 -0.011 0.000 0.298 210 T C -1.106 173.667 174.700 0.121 0.000 0.962 210 T CA -0.310 61.821 62.100 0.051 0.000 0.972 210 T CB -0.384 68.486 68.868 0.003 0.000 0.928 210 T HN 0.394 nan 8.240 nan 0.000 0.474 211 F N 3.835 123.750 119.950 -0.060 0.000 2.443 211 F HA 0.656 5.176 4.527 -0.011 0.000 0.335 211 F C 0.258 175.964 175.800 -0.157 0.000 1.104 211 F CA -0.269 57.676 58.000 -0.092 0.000 1.013 211 F CB 1.035 39.967 39.000 -0.114 0.000 1.136 211 F HN 0.588 nan 8.300 nan 0.000 0.470 212 S N 5.495 120.701 115.700 -0.823 0.000 2.588 212 S HA 0.727 5.190 4.470 -0.011 0.000 0.269 212 S C -1.404 172.764 174.600 -0.721 0.000 1.157 212 S CA -0.958 56.884 58.200 -0.597 0.000 0.824 212 S CB 1.578 64.594 63.200 -0.307 0.000 1.126 212 S HN 0.586 nan 8.310 nan 0.000 0.464 213 I N 1.562 121.884 120.570 -0.415 0.000 2.478 213 I HA 0.323 4.486 4.170 -0.011 0.000 0.287 213 I C -1.176 174.900 176.117 -0.069 0.000 1.042 213 I CA -0.693 60.446 61.300 -0.269 0.000 1.067 213 I CB 1.836 39.692 38.000 -0.240 0.000 1.233 213 I HN 0.601 nan 8.210 nan 0.000 0.431 214 D N 4.311 124.722 120.400 0.018 0.000 2.493 214 D HA 0.047 4.680 4.640 -0.011 0.000 0.240 214 D C 0.871 177.294 176.300 0.204 0.000 1.142 214 D CA 0.873 54.941 54.000 0.113 0.000 0.872 214 D CB 0.704 41.623 40.800 0.199 0.000 1.173 214 D HN 0.662 nan 8.370 nan 0.000 0.467 215 S N 0.180 115.923 115.700 0.071 0.000 3.084 215 S HA -0.239 4.224 4.470 -0.011 0.000 0.277 215 S C -0.122 174.299 174.600 -0.299 0.000 1.295 215 S CA 0.886 59.038 58.200 -0.079 0.000 1.170 215 S CB -1.629 61.531 63.200 -0.067 0.000 1.412 215 S HN 0.630 nan 8.310 nan 0.000 0.669 216 H N 0.892 119.888 119.070 -0.123 0.000 2.609 216 H HA 0.525 5.074 4.556 -0.011 0.000 0.344 216 H C 0.085 175.373 175.328 -0.066 0.000 1.040 216 H CA -0.493 55.498 56.048 -0.094 0.000 1.216 216 H CB 0.793 30.498 29.762 -0.094 0.000 1.529 216 H HN 0.221 nan 8.280 nan 0.000 0.519 217 Q N 2.279 122.110 119.800 0.051 0.000 2.312 217 Q HA 0.395 4.729 4.340 -0.011 0.000 0.236 217 Q C -0.574 175.461 176.000 0.058 0.000 0.965 217 Q CA -0.504 55.313 55.803 0.023 0.000 0.894 217 Q CB 1.627 30.375 28.738 0.015 0.000 1.225 217 Q HN 0.496 nan 8.270 nan 0.000 0.478 218 L N 1.224 122.439 121.223 -0.012 0.000 2.349 218 L HA 0.392 4.725 4.340 -0.011 0.000 0.278 218 L C -0.441 176.462 176.870 0.054 0.000 0.996 218 L CA -0.631 54.198 54.840 -0.018 0.000 0.825 218 L CB 1.798 43.621 42.059 -0.393 0.000 1.243 218 L HN 0.472 nan 8.230 nan 0.000 0.412 219 T N 2.685 117.339 114.554 0.167 0.000 2.832 219 T HA 0.303 4.646 4.350 -0.011 0.000 0.313 219 T C 0.180 174.963 174.700 0.138 0.000 1.035 219 T CA -0.322 61.848 62.100 0.116 0.000 0.950 219 T CB 1.123 70.050 68.868 0.099 0.000 0.984 219 T HN 0.179 nan 8.240 nan 0.000 0.486 220 V N 6.005 125.975 119.914 0.093 0.000 2.508 220 V HA 0.243 4.357 4.120 -0.011 0.000 0.281 220 V C 1.235 177.373 176.094 0.072 0.000 1.041 220 V CA 0.083 62.449 62.300 0.110 0.000 1.016 220 V CB 0.441 32.289 31.823 0.042 0.000 0.984 220 V HN 0.908 nan 8.190 nan 0.000 0.478 221 I N 0.902 121.503 120.570 0.052 0.000 4.338 221 I HA 0.581 4.745 4.170 -0.011 0.000 0.329 221 I C 0.375 176.554 176.117 0.104 0.000 1.378 221 I CA 0.128 61.390 61.300 -0.062 0.000 1.170 221 I CB 0.601 38.347 38.000 -0.424 0.000 1.206 221 I HN 0.594 nan 8.210 nan 0.000 0.432 222 E N 1.916 122.193 120.200 0.128 0.000 2.363 222 E HA 0.713 5.056 4.350 -0.011 0.000 0.281 222 E C -1.914 174.730 176.600 0.072 0.000 0.953 222 E CA -0.734 55.722 56.400 0.094 0.000 0.778 222 E CB 2.773 32.489 29.700 0.027 0.000 1.220 222 E HN 0.273 nan 8.360 nan 0.000 0.431 223 A N 3.390 126.188 122.820 -0.037 0.000 2.359 223 A HA 0.528 4.841 4.320 -0.011 0.000 0.303 223 A C -0.803 176.600 177.584 -0.302 0.000 1.066 223 A CA -0.435 51.444 52.037 -0.264 0.000 0.730 223 A CB 0.878 19.788 19.000 -0.149 0.000 1.211 223 A HN 0.733 nan 8.150 nan 0.000 0.439 224 D N 1.688 121.822 120.400 -0.443 0.000 2.697 224 D HA -0.167 4.466 4.640 -0.011 0.000 0.235 224 D C 1.250 177.311 176.300 -0.398 0.000 1.167 224 D CA 2.969 56.736 54.000 -0.389 0.000 0.656 224 D CB -1.220 39.423 40.800 -0.262 0.000 1.025 224 D HN 2.022 nan 8.370 nan 0.000 0.419 225 G N -2.694 105.768 108.800 -0.563 0.000 2.217 225 G HA2 -0.287 3.666 3.960 -0.011 0.000 0.246 225 G HA3 -0.287 3.666 3.960 -0.011 0.000 0.246 225 G C 0.323 175.128 174.900 -0.159 0.000 0.990 225 G CA 0.129 44.870 45.100 -0.599 0.000 0.627 225 G HN 0.682 nan 8.290 nan 0.000 0.522 226 V N 2.167 122.028 119.914 -0.088 0.000 2.384 226 V HA 0.607 4.721 4.120 -0.011 0.000 0.287 226 V C 0.719 176.843 176.094 0.050 0.000 1.020 226 V CA -0.230 62.083 62.300 0.022 0.000 0.850 226 V CB 1.619 33.486 31.823 0.073 0.000 0.987 226 V HN 0.373 nan 8.190 nan 0.000 0.436 227 S N 3.735 119.483 115.700 0.080 0.000 2.560 227 S HA 0.350 4.814 4.470 -0.011 0.000 0.284 227 S C 0.497 175.205 174.600 0.179 0.000 1.327 227 S CA -0.262 58.030 58.200 0.153 0.000 1.055 227 S CB 0.632 63.886 63.200 0.090 0.000 0.868 227 S HN 0.989 nan 8.310 nan 0.000 0.506 228 T N 0.752 115.468 114.554 0.270 0.000 2.942 228 T HA 0.472 4.815 4.350 -0.011 0.000 0.289 228 T C -0.587 174.297 174.700 0.306 0.000 1.044 228 T CA -1.135 61.109 62.100 0.240 0.000 1.023 228 T CB 0.718 69.698 68.868 0.186 0.000 1.123 228 T HN 0.537 nan 8.240 nan 0.000 0.512 229 Q N 1.554 121.501 119.800 0.245 0.000 2.330 229 Q HA 0.231 4.564 4.340 -0.011 0.000 0.279 229 Q C -2.312 173.801 176.000 0.188 0.000 1.024 229 Q CA -1.423 54.519 55.803 0.232 0.000 0.900 229 Q CB -0.027 28.838 28.738 0.211 0.000 1.221 229 Q HN 0.432 nan 8.270 nan 0.000 0.396 230 P HA -0.039 nan 4.420 nan 0.000 0.265 230 P C -1.204 176.147 177.300 0.085 0.000 1.193 230 P CA 0.161 63.308 63.100 0.078 0.000 0.765 230 P CB 0.582 32.315 31.700 0.054 0.000 0.823 231 V N 4.014 123.968 119.914 0.067 0.000 2.577 231 V HA 0.381 4.495 4.120 -0.011 0.000 0.303 231 V C -0.728 175.386 176.094 0.033 0.000 1.042 231 V CA -0.238 62.094 62.300 0.055 0.000 0.872 231 V CB 2.073 33.927 31.823 0.051 0.000 0.998 231 V HN 0.429 nan 8.190 nan 0.000 0.423 232 T N 6.924 121.495 114.554 0.030 0.000 2.767 232 T HA 0.673 5.017 4.350 -0.011 0.000 0.288 232 T C -0.230 174.467 174.700 -0.004 0.000 0.963 232 T CA -0.086 62.025 62.100 0.019 0.000 1.019 232 T CB 1.155 70.040 68.868 0.027 0.000 0.923 232 T HN 1.133 nan 8.240 nan 0.000 0.468 233 V N 0.532 120.429 119.914 -0.029 0.000 3.167 233 V HA 0.622 4.736 4.120 -0.011 0.000 0.310 233 V C -0.280 175.774 176.094 -0.068 0.000 1.207 233 V CA -0.865 61.404 62.300 -0.051 0.000 1.059 233 V CB 2.245 34.020 31.823 -0.079 0.000 1.079 233 V HN 0.578 nan 8.190 nan 0.000 0.446 234 D N 0.345 120.703 120.400 -0.072 0.000 2.324 234 D HA 0.228 4.861 4.640 -0.011 0.000 0.212 234 D C 0.566 176.795 176.300 -0.118 0.000 0.984 234 D CA 0.978 54.927 54.000 -0.085 0.000 0.885 234 D CB 0.825 41.587 40.800 -0.065 0.000 0.996 234 D HN 0.620 nan 8.370 nan 0.000 0.505 235 S N -0.336 115.300 115.700 -0.108 0.000 2.595 235 S HA 0.629 5.092 4.470 -0.011 0.000 0.281 235 S C -0.452 174.079 174.600 -0.114 0.000 1.117 235 S CA -0.675 57.461 58.200 -0.105 0.000 0.873 235 S CB 2.525 65.679 63.200 -0.077 0.000 1.108 235 S HN -0.031 nan 8.310 nan 0.000 0.477 236 I N 1.643 122.157 120.570 -0.093 0.000 2.533 236 I HA 0.378 4.541 4.170 -0.011 0.000 0.290 236 I C -0.478 175.585 176.117 -0.090 0.000 1.056 236 I CA -0.438 60.758 61.300 -0.173 0.000 1.057 236 I CB 2.091 39.906 38.000 -0.310 0.000 1.240 236 I HN 0.518 nan 8.210 nan 0.000 0.423 237 Q N 6.894 126.633 119.800 -0.102 0.000 2.331 237 Q HA 0.534 4.868 4.340 -0.011 0.000 0.257 237 Q C -1.346 174.564 176.000 -0.150 0.000 0.957 237 Q CA -0.449 55.266 55.803 -0.147 0.000 0.923 237 Q CB 1.828 30.458 28.738 -0.180 0.000 1.212 237 Q HN 0.671 nan 8.270 nan 0.000 0.443 238 I N 4.921 125.395 120.570 -0.159 0.000 2.382 238 I HA 0.356 4.519 4.170 -0.011 0.000 0.286 238 I C -1.234 174.778 176.117 -0.175 0.000 1.002 238 I CA -0.779 60.525 61.300 0.007 0.000 1.135 238 I CB 0.523 38.588 38.000 0.108 0.000 1.288 238 I HN 0.622 nan 8.210 nan 0.000 0.448 239 F N 5.566 125.537 119.950 0.034 0.000 2.375 239 F HA 0.486 5.007 4.527 -0.011 0.000 0.313 239 F C 1.218 176.972 175.800 -0.077 0.000 1.176 239 F CA -0.309 57.681 58.000 -0.016 0.000 1.142 239 F CB 0.617 39.620 39.000 0.006 0.000 1.275 239 F HN 0.481 nan 8.300 nan 0.000 0.544 240 A N 1.368 124.258 122.820 0.116 0.000 2.566 240 A HA 0.357 4.670 4.320 -0.011 0.000 0.245 240 A C 0.932 178.401 177.584 -0.192 0.000 1.056 240 A CA 0.412 52.437 52.037 -0.020 0.000 0.757 240 A CB -1.060 17.994 19.000 0.089 0.000 0.979 240 A HN 1.842 nan 8.150 nan 0.000 0.508 241 A N 1.561 124.119 122.820 -0.436 0.000 3.553 241 A HA -0.189 4.125 4.320 -0.011 0.000 0.261 241 A C 0.637 177.915 177.584 -0.510 0.000 1.096 241 A CA 1.537 53.207 52.037 -0.611 0.000 1.308 241 A CB -2.407 16.018 19.000 -0.959 0.000 1.084 241 A HN 0.947 nan 8.150 nan 0.000 0.914 242 Q N -0.990 118.605 119.800 -0.342 0.000 2.443 242 Q HA 0.586 4.919 4.340 -0.011 0.000 0.232 242 Q C 0.035 175.780 176.000 -0.425 0.000 1.026 242 Q CA 0.045 55.656 55.803 -0.319 0.000 0.924 242 Q CB 0.346 28.978 28.738 -0.176 0.000 1.256 242 Q HN 0.525 nan 8.270 nan 0.000 0.519 243 R N 0.263 120.465 120.500 -0.495 0.000 2.725 243 R HA 0.511 4.844 4.340 -0.011 0.000 0.277 243 R C -1.705 174.244 176.300 -0.585 0.000 0.987 243 R CA -0.511 55.319 56.100 -0.451 0.000 0.901 243 R CB 1.272 31.316 30.300 -0.427 0.000 1.207 243 R HN 0.465 nan 8.270 nan 0.000 0.463 244 Y N -0.628 119.573 120.300 -0.165 0.000 2.512 244 Y HA 0.533 5.077 4.550 -0.011 0.000 0.348 244 Y C -0.196 175.648 175.900 -0.093 0.000 0.990 244 Y CA -0.665 57.381 58.100 -0.089 0.000 1.033 244 Y CB 2.793 41.244 38.460 -0.015 0.000 1.259 244 Y HN 0.463 nan 8.280 nan 0.000 0.461 245 S N 3.380 119.135 115.700 0.092 0.000 2.489 245 S HA 0.718 5.182 4.470 -0.011 0.000 0.291 245 S C -1.211 173.449 174.600 0.100 0.000 1.151 245 S CA -0.636 57.547 58.200 -0.029 0.000 1.082 245 S CB 0.232 63.370 63.200 -0.103 0.000 1.019 245 S HN 0.452 nan 8.310 nan 0.000 0.492 246 F N -0.049 119.909 119.950 0.013 0.000 2.576 246 F HA 0.807 5.327 4.527 -0.011 0.000 0.313 246 F C -0.991 174.837 175.800 0.046 0.000 1.078 246 F CA -1.382 56.633 58.000 0.026 0.000 0.921 246 F CB 0.507 39.533 39.000 0.042 0.000 1.232 246 F HN 0.198 nan 8.300 nan 0.000 0.459 247 V N 3.731 123.781 119.914 0.227 0.000 2.465 247 V HA 0.390 4.504 4.120 -0.011 0.000 0.279 247 V C -0.333 175.984 176.094 0.372 0.000 1.045 247 V CA -0.585 61.817 62.300 0.171 0.000 0.938 247 V CB 1.320 33.225 31.823 0.138 0.000 0.986 247 V HN 0.846 nan 8.190 nan 0.000 0.467 248 L N 4.880 126.338 121.223 0.392 0.000 2.313 248 L HA 0.612 4.946 4.340 -0.011 0.000 0.283 248 L C -0.226 176.854 176.870 0.350 0.000 1.013 248 L CA -0.374 54.741 54.840 0.458 0.000 0.816 248 L CB 1.521 43.977 42.059 0.663 0.000 1.236 248 L HN 0.642 nan 8.230 nan 0.000 0.419 249 N N 4.167 123.042 118.700 0.292 0.000 2.426 249 N HA 0.345 5.078 4.740 -0.011 0.000 0.257 249 N C -0.349 175.337 175.510 0.293 0.000 1.002 249 N CA -0.271 52.923 53.050 0.240 0.000 0.942 249 N CB 1.775 40.358 38.487 0.160 0.000 1.112 249 N HN 0.676 nan 8.380 nan 0.000 0.499 250 A N 3.922 126.913 122.820 0.285 0.000 3.037 250 A HA 0.078 4.392 4.320 -0.011 0.000 0.272 250 A C 0.607 178.402 177.584 0.351 0.000 1.723 250 A CA -0.500 51.697 52.037 0.267 0.000 1.413 250 A CB -0.982 18.002 19.000 -0.025 0.000 1.112 250 A HN 0.765 nan 8.150 nan 0.000 0.606 251 N N -0.251 118.622 118.700 0.287 0.000 2.204 251 N HA 0.035 4.768 4.740 -0.011 0.000 0.219 251 N C 0.034 175.596 175.510 0.087 0.000 1.151 251 N CA -0.148 53.004 53.050 0.170 0.000 0.867 251 N CB 0.178 38.721 38.487 0.093 0.000 1.043 251 N HN 0.438 nan 8.380 nan 0.000 0.516 252 Q N 0.406 120.250 119.800 0.074 0.000 2.162 252 Q HA 0.243 4.577 4.340 -0.011 0.000 0.197 252 Q C -0.503 175.414 176.000 -0.139 0.000 1.013 252 Q CA -0.336 55.388 55.803 -0.131 0.000 1.040 252 Q CB 0.412 28.884 28.738 -0.444 0.000 1.114 252 Q HN 0.188 nan 8.270 nan 0.000 0.547 253 D N 0.127 120.454 120.400 -0.121 0.000 2.400 253 D HA 0.048 4.682 4.640 -0.011 0.000 0.238 253 D C -0.361 175.705 176.300 -0.389 0.000 1.157 253 D CA -0.049 53.865 54.000 -0.142 0.000 0.889 253 D CB 0.552 41.306 40.800 -0.077 0.000 1.199 253 D HN 0.054 nan 8.370 nan 0.000 0.436 254 V N 3.000 122.766 119.914 -0.246 0.000 2.434 254 V HA 0.093 4.206 4.120 -0.011 0.000 0.281 254 V C 0.503 176.475 176.094 -0.204 0.000 1.005 254 V CA 0.927 63.102 62.300 -0.207 0.000 1.089 254 V CB 0.123 31.959 31.823 0.022 0.000 0.978 254 V HN 0.537 nan 8.190 nan 0.000 0.474 255 D N 3.407 123.668 120.400 -0.232 0.000 2.809 255 D HA 0.232 4.866 4.640 -0.011 0.000 0.336 255 D C -1.328 174.813 176.300 -0.265 0.000 1.367 255 D CA -0.645 53.169 54.000 -0.309 0.000 0.815 255 D CB 1.468 41.932 40.800 -0.560 0.000 1.381 255 D HN 0.383 nan 8.370 nan 0.000 0.471 256 N N 0.530 118.941 118.700 -0.482 0.000 2.372 256 N HA 0.397 5.131 4.740 -0.011 0.000 0.291 256 N C -1.176 173.915 175.510 -0.699 0.000 1.024 256 N CA -0.148 52.662 53.050 -0.401 0.000 0.873 256 N CB 1.360 39.620 38.487 -0.378 0.000 1.206 256 N HN 0.248 nan 8.380 nan 0.000 0.486 257 Y N -0.096 120.091 120.300 -0.188 0.000 2.425 257 Y HA 0.323 4.866 4.550 -0.011 0.000 0.344 257 Y C -0.266 175.521 175.900 -0.187 0.000 0.969 257 Y CA -0.922 57.084 58.100 -0.157 0.000 1.052 257 Y CB 1.265 39.736 38.460 0.019 0.000 1.215 257 Y HN 0.418 nan 8.280 nan 0.000 0.451 258 W N 4.069 125.362 121.300 -0.013 0.000 2.216 258 W HA 0.445 5.099 4.660 -0.011 0.000 0.326 258 W C -0.466 175.938 176.519 -0.191 0.000 1.319 258 W CA -0.204 57.065 57.345 -0.127 0.000 1.213 258 W CB 0.459 29.794 29.460 -0.209 0.000 1.171 258 W HN 0.250 nan 8.180 nan 0.000 0.557 259 I N 4.491 125.114 120.570 0.089 0.000 2.336 259 I HA 0.342 4.506 4.170 -0.011 0.000 0.292 259 I C 0.135 176.114 176.117 -0.230 0.000 0.991 259 I CA -0.792 60.398 61.300 -0.184 0.000 1.227 259 I CB 0.785 38.700 38.000 -0.141 0.000 1.366 259 I HN 0.309 nan 8.210 nan 0.000 0.466 260 R N 5.144 125.371 120.500 -0.455 0.000 2.562 260 R HA 0.787 5.121 4.340 -0.011 0.000 0.298 260 R C -0.848 175.317 176.300 -0.224 0.000 0.961 260 R CA -0.796 55.094 56.100 -0.350 0.000 0.881 260 R CB 2.151 32.086 30.300 -0.608 0.000 1.159 260 R HN 0.696 nan 8.270 nan 0.000 0.450 261 A N 3.025 125.886 122.820 0.070 0.000 2.702 261 A HA 0.250 4.563 4.320 -0.011 0.000 0.305 261 A C -1.060 176.675 177.584 0.252 0.000 1.213 261 A CA -0.710 51.410 52.037 0.139 0.000 0.745 261 A CB 0.533 19.532 19.000 -0.001 0.000 1.161 261 A HN 0.582 nan 8.150 nan 0.000 0.445 262 N N 3.680 122.526 118.700 0.244 0.000 2.414 262 N HA 0.447 5.180 4.740 -0.011 0.000 0.256 262 N C -2.594 172.933 175.510 0.030 0.000 1.029 262 N CA -1.672 51.414 53.050 0.061 0.000 0.948 262 N CB 1.584 40.068 38.487 -0.005 0.000 1.102 262 N HN 0.363 nan 8.380 nan 0.000 0.496 263 P HA 0.116 nan 4.420 nan 0.000 0.274 263 P C 0.174 177.296 177.300 -0.297 0.000 1.246 263 P CA -0.248 62.639 63.100 -0.356 0.000 0.795 263 P CB 0.857 32.314 31.700 -0.406 0.000 1.006 264 N N 0.693 119.197 118.700 -0.327 0.000 2.459 264 N HA -0.058 4.676 4.740 -0.011 0.000 0.181 264 N C 0.377 175.929 175.510 0.068 0.000 1.046 264 N CA 0.790 53.785 53.050 -0.092 0.000 0.904 264 N CB -0.596 37.901 38.487 0.018 0.000 0.964 264 N HN 0.533 nan 8.380 nan 0.000 0.444 265 F N -4.177 115.696 119.950 -0.128 0.000 2.779 265 F HA 0.733 5.254 4.527 -0.010 0.000 0.316 265 F C 0.498 176.240 175.800 -0.098 0.000 1.164 265 F CA -0.490 57.453 58.000 -0.096 0.000 0.924 265 F CB 1.043 40.004 39.000 -0.066 0.000 1.348 265 F HN 0.159 nan 8.300 nan 0.000 0.467 266 G N 0.418 109.258 108.800 0.066 0.000 2.516 266 G HA2 0.043 3.996 3.960 -0.011 0.000 0.220 266 G HA3 0.043 3.996 3.960 -0.011 0.000 0.220 266 G C -0.808 174.040 174.900 -0.087 0.000 1.165 266 G CA -0.382 44.681 45.100 -0.061 0.000 1.013 266 G HN 1.038 nan 8.290 nan 0.000 0.590 267 T N 2.254 116.725 114.554 -0.137 0.000 2.723 267 T HA 0.567 4.910 4.350 -0.011 0.000 0.297 267 T C 0.792 175.381 174.700 -0.185 0.000 0.925 267 T CA 0.808 62.824 62.100 -0.140 0.000 1.030 267 T CB 0.449 69.234 68.868 -0.137 0.000 0.905 267 T HN 1.135 nan 8.240 nan 0.000 0.502 268 T N 0.852 115.290 114.554 -0.194 0.000 2.944 268 T HA 0.815 5.159 4.350 -0.011 0.000 0.284 268 T C 0.699 175.162 174.700 -0.395 0.000 1.010 268 T CA -0.069 61.866 62.100 -0.275 0.000 1.025 268 T CB 1.503 70.247 68.868 -0.207 0.000 1.079 268 T HN 0.985 nan 8.240 nan 0.000 0.516 269 G N 0.591 108.983 108.800 -0.679 0.000 2.632 269 G HA2 -0.052 3.902 3.960 -0.011 0.000 0.224 269 G HA3 -0.052 3.902 3.960 -0.011 0.000 0.224 269 G C -0.396 173.780 174.900 -1.208 0.000 1.341 269 G CA -0.045 44.482 45.100 -0.954 0.000 0.880 269 G HN 0.904 nan 8.290 nan 0.000 0.566 270 F N 0.932 120.772 119.950 -0.182 0.000 2.837 270 F HA 0.652 5.172 4.527 -0.011 0.000 0.328 270 F C 1.329 176.975 175.800 -0.257 0.000 1.173 270 F CA -0.093 57.745 58.000 -0.271 0.000 1.160 270 F CB 0.283 39.049 39.000 -0.391 0.000 1.115 270 F HN 0.879 nan 8.300 nan 0.000 0.512 271 A N 0.345 123.111 122.820 -0.089 0.000 2.546 271 A HA 0.269 4.582 4.320 -0.011 0.000 0.243 271 A C 0.991 178.538 177.584 -0.062 0.000 1.063 271 A CA 0.361 52.358 52.037 -0.065 0.000 0.757 271 A CB -0.174 18.789 19.000 -0.062 0.000 0.991 271 A HN 0.513 nan 8.150 nan 0.000 0.503 272 D N 0.957 121.333 120.400 -0.040 0.000 3.039 272 D HA -0.226 4.408 4.640 -0.011 0.000 0.222 272 D C 0.985 177.271 176.300 -0.023 0.000 1.179 272 D CA 2.611 56.605 54.000 -0.010 0.000 0.880 272 D CB -1.449 39.353 40.800 0.002 0.000 1.115 272 D HN 2.019 nan 8.370 nan 0.000 0.416 273 G N -1.212 107.511 108.800 -0.129 0.000 2.136 273 G HA2 -0.241 3.712 3.960 -0.011 0.000 0.242 273 G HA3 -0.241 3.712 3.960 -0.011 0.000 0.242 273 G C 0.564 175.402 174.900 -0.103 0.000 0.989 273 G CA 0.938 45.903 45.100 -0.224 0.000 0.682 273 G HN 1.213 nan 8.290 nan 0.000 0.522 274 V N -2.701 117.169 119.914 -0.074 0.000 3.139 274 V HA 0.506 4.619 4.120 -0.011 0.000 0.307 274 V C 1.175 177.253 176.094 -0.027 0.000 1.095 274 V CA 0.380 62.650 62.300 -0.050 0.000 1.160 274 V CB 0.737 32.513 31.823 -0.078 0.000 1.003 274 V HN 0.752 nan 8.190 nan 0.000 0.489 275 N N 0.665 119.357 118.700 -0.013 0.000 2.725 275 N HA -0.169 4.565 4.740 -0.011 0.000 0.249 275 N C -0.072 175.505 175.510 0.113 0.000 1.103 275 N CA 1.367 54.439 53.050 0.036 0.000 0.707 275 N CB -1.446 37.019 38.487 -0.037 0.000 1.043 275 N HN 0.991 nan 8.380 nan 0.000 0.553 276 S N -1.324 114.399 115.700 0.040 0.000 2.564 276 S HA 0.933 5.397 4.470 -0.011 0.000 0.274 276 S C -0.124 174.539 174.600 0.105 0.000 1.124 276 S CA -0.170 58.046 58.200 0.026 0.000 0.869 276 S CB 2.897 66.000 63.200 -0.161 0.000 1.105 276 S HN 0.497 nan 8.310 nan 0.000 0.472 277 A N 1.098 124.010 122.820 0.154 0.000 2.524 277 A HA 0.922 5.235 4.320 -0.011 0.000 0.289 277 A C -1.679 176.013 177.584 0.179 0.000 1.248 277 A CA -0.742 51.381 52.037 0.143 0.000 0.712 277 A CB 0.817 19.843 19.000 0.044 0.000 1.312 277 A HN 0.710 nan 8.150 nan 0.000 0.441 278 I N 0.607 121.204 120.570 0.046 0.000 2.418 278 I HA 0.329 4.492 4.170 -0.011 0.000 0.287 278 I C -1.128 174.952 176.117 -0.062 0.000 1.008 278 I CA -0.548 60.721 61.300 -0.053 0.000 1.104 278 I CB 1.744 39.672 38.000 -0.120 0.000 1.264 278 I HN 0.502 nan 8.210 nan 0.000 0.438 279 L N 7.549 128.741 121.223 -0.051 0.000 2.261 279 L HA 0.410 4.743 4.340 -0.011 0.000 0.289 279 L C -0.039 176.871 176.870 0.067 0.000 1.059 279 L CA 0.123 54.937 54.840 -0.044 0.000 0.816 279 L CB 0.331 42.343 42.059 -0.079 0.000 1.191 279 L HN 0.552 nan 8.230 nan 0.000 0.431 280 R N 3.997 124.513 120.500 0.027 0.000 2.360 280 R HA 0.340 4.673 4.340 -0.011 0.000 0.318 280 R C -1.302 175.080 176.300 0.137 0.000 0.950 280 R CA -0.626 55.523 56.100 0.082 0.000 0.837 280 R CB 0.641 30.942 30.300 0.002 0.000 1.165 280 R HN 0.478 nan 8.270 nan 0.000 0.458 281 Y N 2.188 122.513 120.300 0.043 0.000 2.411 281 Y HA 0.017 4.560 4.550 -0.011 0.000 0.333 281 Y C 0.479 176.396 175.900 0.029 0.000 1.186 281 Y CA 0.203 58.336 58.100 0.055 0.000 1.381 281 Y CB 0.500 39.028 38.460 0.114 0.000 1.273 281 Y HN 0.555 nan 8.280 nan 0.000 0.546 282 D N 3.087 123.568 120.400 0.135 0.000 2.525 282 D HA -0.020 4.613 4.640 -0.011 0.000 0.235 282 D C 0.331 176.701 176.300 0.117 0.000 1.137 282 D CA 1.076 55.133 54.000 0.095 0.000 0.868 282 D CB 0.330 41.173 40.800 0.072 0.000 1.180 282 D HN 0.561 nan 8.370 nan 0.000 0.465 283 D N -1.236 119.208 120.400 0.072 0.000 2.704 283 D HA -0.154 4.479 4.640 -0.011 0.000 0.186 283 D C 0.090 176.413 176.300 0.040 0.000 0.957 283 D CA 1.308 55.341 54.000 0.054 0.000 1.011 283 D CB -1.295 39.542 40.800 0.061 0.000 1.064 283 D HN 0.517 nan 8.370 nan 0.000 0.453 284 A N 0.455 123.305 122.820 0.050 0.000 2.332 284 A HA 0.413 4.727 4.320 -0.011 0.000 0.258 284 A C 0.340 177.914 177.584 -0.016 0.000 1.087 284 A CA -0.086 51.955 52.037 0.008 0.000 0.802 284 A CB 0.593 19.601 19.000 0.013 0.000 1.042 284 A HN -0.021 nan 8.150 nan 0.000 0.489 285 D N 1.282 121.657 120.400 -0.042 0.000 2.382 285 D HA 0.287 4.920 4.640 -0.011 0.000 0.240 285 D C -2.075 174.192 176.300 -0.054 0.000 1.146 285 D CA -0.868 53.105 54.000 -0.044 0.000 0.897 285 D CB 0.469 41.237 40.800 -0.054 0.000 1.197 285 D HN 0.267 nan 8.370 nan 0.000 0.432 286 P HA 0.055 nan 4.420 nan 0.000 0.219 286 P C -0.462 176.799 177.300 -0.065 0.000 1.832 286 P CA -0.210 62.860 63.100 -0.050 0.000 1.014 286 P CB -0.047 31.634 31.700 -0.032 0.000 1.939 287 V N -1.744 118.112 119.914 -0.097 0.000 3.113 287 V HA 0.549 4.663 4.120 -0.011 0.000 0.316 287 V C 0.160 176.142 176.094 -0.187 0.000 1.125 287 V CA -1.437 60.794 62.300 -0.115 0.000 1.026 287 V CB 1.896 33.653 31.823 -0.110 0.000 1.080 287 V HN 0.020 nan 8.190 nan 0.000 0.444 288 E N 1.879 121.960 120.200 -0.197 0.000 2.398 288 E HA 0.297 4.641 4.350 -0.011 0.000 0.263 288 E C -2.386 173.890 176.600 -0.539 0.000 1.046 288 E CA -1.342 54.838 56.400 -0.366 0.000 0.908 288 E CB 0.549 30.135 29.700 -0.190 0.000 0.963 288 E HN 0.612 nan 8.360 nan 0.000 0.431 289 P HA -0.075 nan 4.420 nan 0.000 0.270 289 P C -0.003 176.906 177.300 -0.653 0.000 1.223 289 P CA 0.078 62.572 63.100 -1.010 0.000 0.785 289 P CB 0.485 31.179 31.700 -1.677 0.000 0.923 290 V N -2.523 117.183 119.914 -0.347 0.000 3.078 290 V HA 0.199 4.313 4.120 -0.011 0.000 0.344 290 V C 0.393 176.491 176.094 0.006 0.000 1.409 290 V CA -0.182 62.091 62.300 -0.045 0.000 1.146 290 V CB -0.739 31.054 31.823 -0.051 0.000 1.126 290 V HN 0.565 nan 8.190 nan 0.000 0.513 291 T N -0.346 114.181 114.554 -0.046 0.000 2.813 291 T HA 0.430 4.774 4.350 -0.011 0.000 0.297 291 T C -0.052 174.744 174.700 0.160 0.000 1.036 291 T CA -0.254 61.866 62.100 0.033 0.000 1.044 291 T CB 1.037 69.908 68.868 0.005 0.000 0.993 291 T HN 0.401 nan 8.240 nan 0.000 0.535 292 N N 0.675 119.425 118.700 0.085 0.000 2.335 292 N HA 0.251 4.985 4.740 -0.011 0.000 0.304 292 N C -0.769 174.750 175.510 0.015 0.000 1.135 292 N CA -0.709 52.367 53.050 0.044 0.000 0.817 292 N CB 1.883 40.382 38.487 0.021 0.000 1.294 292 N HN 0.790 nan 8.380 nan 0.000 0.497 293 Q N 0.034 119.808 119.800 -0.043 0.000 2.313 293 Q HA 0.153 4.486 4.340 -0.011 0.000 0.266 293 Q C 0.423 176.403 176.000 -0.033 0.000 0.989 293 Q CA 0.189 55.953 55.803 -0.064 0.000 0.890 293 Q CB 0.536 29.205 28.738 -0.115 0.000 1.200 293 Q HN 0.823 nan 8.270 nan 0.000 0.396 294 T N -0.483 114.054 114.554 -0.029 0.000 2.955 294 T HA 0.257 4.600 4.350 -0.011 0.000 0.251 294 T C 0.909 175.592 174.700 -0.029 0.000 1.002 294 T CA 0.178 62.264 62.100 -0.022 0.000 0.970 294 T CB 0.104 68.963 68.868 -0.015 0.000 1.091 294 T HN 0.652 nan 8.240 nan 0.000 0.495 295 G N 0.886 109.662 108.800 -0.040 0.000 2.341 295 G HA2 0.269 4.222 3.960 -0.011 0.000 0.231 295 G HA3 0.269 4.222 3.960 -0.011 0.000 0.231 295 G C 0.613 175.493 174.900 -0.033 0.000 1.206 295 G CA 0.611 45.685 45.100 -0.043 0.000 0.865 295 G HN 0.361 nan 8.290 nan 0.000 0.515 296 T N -0.493 114.044 114.554 -0.029 0.000 2.986 296 T HA 0.225 4.568 4.350 -0.011 0.000 0.264 296 T C 0.796 175.484 174.700 -0.021 0.000 0.964 296 T CA 0.576 62.664 62.100 -0.021 0.000 0.895 296 T CB 0.269 69.128 68.868 -0.014 0.000 1.163 296 T HN 0.454 nan 8.240 nan 0.000 0.517 297 T N 3.037 117.575 114.554 -0.027 0.000 2.788 297 T HA 0.592 4.936 4.350 -0.011 0.000 0.296 297 T C -1.004 173.674 174.700 -0.037 0.000 1.009 297 T CA -0.446 61.639 62.100 -0.025 0.000 0.949 297 T CB 1.229 70.084 68.868 -0.022 0.000 0.946 297 T HN 0.218 nan 8.240 nan 0.000 0.453 298 L N 5.241 126.446 121.223 -0.030 0.000 2.276 298 L HA 0.573 4.906 4.340 -0.011 0.000 0.286 298 L C -0.260 176.587 176.870 -0.039 0.000 1.061 298 L CA -0.891 53.926 54.840 -0.039 0.000 0.807 298 L CB 0.661 42.706 42.059 -0.023 0.000 1.177 298 L HN 0.557 nan 8.230 nan 0.000 0.429 299 L N 5.682 126.864 121.223 -0.069 0.000 2.578 299 L HA 0.129 4.462 4.340 -0.011 0.000 0.279 299 L C -0.832 176.022 176.870 -0.027 0.000 1.227 299 L CA 0.919 55.717 54.840 -0.071 0.000 0.900 299 L CB -0.037 41.928 42.059 -0.156 0.000 1.144 299 L HN 0.581 nan 8.230 nan 0.000 0.496 300 L N 5.304 126.522 121.223 -0.009 0.000 2.309 300 L HA 0.294 4.628 4.340 -0.011 0.000 0.282 300 L C 1.298 178.174 176.870 0.009 0.000 1.036 300 L CA -0.333 54.514 54.840 0.011 0.000 0.806 300 L CB 1.463 43.528 42.059 0.011 0.000 1.220 300 L HN 0.758 nan 8.230 nan 0.000 0.429 301 E N 0.819 121.039 120.200 0.034 0.000 2.204 301 E HA -0.206 4.137 4.350 -0.011 0.000 0.195 301 E C 1.501 178.075 176.600 -0.043 0.000 0.990 301 E CA 1.705 58.122 56.400 0.029 0.000 0.821 301 E CB 0.307 30.037 29.700 0.050 0.000 0.750 301 E HN 0.871 nan 8.360 nan 0.000 0.477 302 T N -1.598 112.933 114.554 -0.039 0.000 3.051 302 T HA -0.077 4.266 4.350 -0.011 0.000 0.269 302 T C 0.963 175.603 174.700 -0.100 0.000 1.127 302 T CA 0.904 62.972 62.100 -0.053 0.000 1.107 302 T CB 0.011 68.876 68.868 -0.006 0.000 0.898 302 T HN 0.034 nan 8.240 nan 0.000 0.517 303 D N 0.688 121.024 120.400 -0.107 0.000 2.349 303 D HA 0.260 4.893 4.640 -0.011 0.000 0.214 303 D C 0.215 176.340 176.300 -0.293 0.000 1.063 303 D CA -0.009 53.932 54.000 -0.097 0.000 0.847 303 D CB 0.188 41.001 40.800 0.022 0.000 0.933 303 D HN 0.437 nan 8.370 nan 0.000 0.513 304 L N 0.966 121.972 121.223 -0.362 0.000 2.290 304 L HA 0.308 4.642 4.340 -0.011 0.000 0.284 304 L C -0.302 176.239 176.870 -0.547 0.000 1.078 304 L CA -0.053 54.626 54.840 -0.269 0.000 0.815 304 L CB 0.634 42.669 42.059 -0.041 0.000 1.162 304 L HN -0.086 nan 8.230 nan 0.000 0.435 305 H N 2.407 121.553 119.070 0.127 0.000 2.894 305 H HA 0.374 4.923 4.556 -0.011 0.000 0.367 305 H C -2.485 172.934 175.328 0.153 0.000 1.144 305 H CA -1.845 54.286 56.048 0.137 0.000 1.180 305 H CB 1.827 31.657 29.762 0.114 0.000 1.758 305 H HN 0.368 nan 8.280 nan 0.000 0.541 306 P HA -0.062 nan 4.420 nan 0.000 0.269 306 P C 0.695 178.094 177.300 0.165 0.000 1.209 306 P CA -0.340 62.885 63.100 0.208 0.000 0.776 306 P CB 1.048 32.860 31.700 0.188 0.000 0.876 307 L N 2.586 123.883 121.223 0.125 0.000 2.083 307 L HA -0.050 4.283 4.340 -0.011 0.000 0.209 307 L C 0.935 177.830 176.870 0.042 0.000 1.083 307 L CA 2.112 57.000 54.840 0.079 0.000 0.752 307 L CB -1.009 41.046 42.059 -0.006 0.000 0.899 307 L HN 0.483 nan 8.230 nan 0.000 0.433 308 T N -3.070 111.500 114.554 0.026 0.000 2.895 308 T HA 0.430 4.773 4.350 -0.011 0.000 0.283 308 T C 0.233 174.945 174.700 0.020 0.000 1.014 308 T CA -0.634 61.471 62.100 0.009 0.000 1.037 308 T CB 1.208 70.066 68.868 -0.017 0.000 1.006 308 T HN 0.086 nan 8.240 nan 0.000 0.468 309 S N 2.276 117.989 115.700 0.022 0.000 2.525 309 S HA 0.254 4.718 4.470 -0.011 0.000 0.285 309 S C 0.006 174.610 174.600 0.006 0.000 1.283 309 S CA -0.249 57.975 58.200 0.040 0.000 1.072 309 S CB -0.455 62.769 63.200 0.040 0.000 0.867 309 S HN 0.656 nan 8.310 nan 0.000 0.492 310 M N 5.363 124.985 119.600 0.037 0.000 1.960 310 M HA 0.282 4.756 4.480 -0.011 0.000 0.271 310 M C -2.647 173.774 176.300 0.202 0.000 0.862 310 M CA -1.815 53.441 55.300 -0.072 0.000 0.854 310 M CB 1.388 33.707 32.600 -0.469 0.000 1.575 310 M HN 0.274 nan 8.290 nan 0.000 0.375 311 P HA 0.076 nan 4.420 nan 0.000 0.267 311 P C -0.455 177.091 177.300 0.410 0.000 1.200 311 P CA -0.305 62.943 63.100 0.247 0.000 0.772 311 P CB 0.601 32.392 31.700 0.151 0.000 0.855 312 V N 5.256 125.394 119.914 0.375 0.000 2.455 312 V HA 0.161 4.274 4.120 -0.011 0.000 0.273 312 V C -1.808 174.448 176.094 0.270 0.000 1.045 312 V CA -1.312 61.208 62.300 0.366 0.000 0.976 312 V CB 0.183 32.180 31.823 0.289 0.000 0.993 312 V HN 0.582 nan 8.190 nan 0.000 0.475 313 P HA 0.392 nan 4.420 nan 0.000 0.266 313 P C 0.449 177.803 177.300 0.090 0.000 1.195 313 P CA 1.243 64.439 63.100 0.160 0.000 0.768 313 P CB 0.402 32.194 31.700 0.153 0.000 0.838 314 G N 2.192 111.018 108.800 0.043 0.000 2.757 314 G HA2 -0.175 3.778 3.960 -0.011 0.000 0.638 314 G HA3 -0.175 3.778 3.960 -0.011 0.000 0.638 314 G C -0.783 174.094 174.900 -0.039 0.000 1.344 314 G CA -0.861 44.236 45.100 -0.006 0.000 0.855 314 G HN 0.636 nan 8.290 nan 0.000 0.537 315 N N 1.758 120.401 118.700 -0.094 0.000 2.530 315 N HA 0.482 5.215 4.740 -0.011 0.000 0.277 315 N C -1.973 173.317 175.510 -0.366 0.000 1.168 315 N CA -0.992 51.958 53.050 -0.167 0.000 0.979 315 N CB 1.273 39.672 38.487 -0.145 0.000 1.141 315 N HN 0.445 nan 8.380 nan 0.000 0.459 316 P HA 0.018 nan 4.420 nan 0.000 0.225 316 P C -1.009 175.658 177.300 -1.056 0.000 1.768 316 P CA 0.147 62.542 63.100 -1.176 0.000 0.943 316 P CB -0.461 30.905 31.700 -0.555 0.000 1.936 317 T N -3.260 110.833 114.554 -0.769 0.000 2.843 317 T HA 0.298 4.642 4.350 -0.011 0.000 0.302 317 T C -0.360 174.222 174.700 -0.196 0.000 1.232 317 T CA -0.939 60.947 62.100 -0.357 0.000 1.009 317 T CB 1.228 69.963 68.868 -0.221 0.000 1.254 317 T HN 0.036 nan 8.240 nan 0.000 0.504 318 Q N 0.284 119.983 119.800 -0.168 0.000 2.311 318 Q HA 0.411 4.744 4.340 -0.011 0.000 0.272 318 Q C 1.301 177.238 176.000 -0.104 0.000 1.012 318 Q CA 1.062 56.773 55.803 -0.155 0.000 0.891 318 Q CB 0.540 29.135 28.738 -0.240 0.000 1.201 318 Q HN 1.360 nan 8.270 nan 0.000 0.391 319 G N 2.258 111.017 108.800 -0.069 0.000 2.160 319 G HA2 -0.279 3.674 3.960 -0.011 0.000 0.251 319 G HA3 -0.279 3.674 3.960 -0.011 0.000 0.251 319 G C 0.565 175.420 174.900 -0.076 0.000 1.008 319 G CA 0.090 45.148 45.100 -0.070 0.000 0.724 319 G HN 0.828 nan 8.290 nan 0.000 0.514 320 G N -0.578 108.171 108.800 -0.084 0.000 3.088 320 G HA2 0.611 4.565 3.960 -0.011 0.000 0.212 320 G HA3 0.611 4.565 3.960 -0.011 0.000 0.212 320 G C 0.841 175.692 174.900 -0.081 0.000 1.173 320 G CA 1.184 46.221 45.100 -0.104 0.000 0.779 320 G HN 1.488 nan 8.290 nan 0.000 0.540 321 A N 0.034 122.813 122.820 -0.069 0.000 2.246 321 A HA 0.480 4.793 4.320 -0.011 0.000 0.291 321 A C 1.132 178.674 177.584 -0.070 0.000 1.103 321 A CA -0.239 51.755 52.037 -0.072 0.000 0.844 321 A CB 0.633 19.575 19.000 -0.097 0.000 1.136 321 A HN 0.077 nan 8.150 nan 0.000 0.500 322 D N -1.193 119.165 120.400 -0.070 0.000 2.144 322 D HA -0.015 4.618 4.640 -0.011 0.000 0.200 322 D C 0.040 176.306 176.300 -0.056 0.000 0.978 322 D CA 1.446 55.413 54.000 -0.055 0.000 0.833 322 D CB -0.061 40.711 40.800 -0.046 0.000 0.961 322 D HN 0.228 nan 8.370 nan 0.000 0.470 323 L N 0.936 122.111 121.223 -0.080 0.000 2.409 323 L HA 0.352 4.686 4.340 -0.011 0.000 0.272 323 L C -1.477 175.334 176.870 -0.098 0.000 0.980 323 L CA -0.558 54.239 54.840 -0.071 0.000 0.826 323 L CB 1.893 43.918 42.059 -0.057 0.000 1.268 323 L HN -0.244 nan 8.230 nan 0.000 0.407 324 N N 6.637 125.289 118.700 -0.080 0.000 2.442 324 N HA 0.525 5.258 4.740 -0.011 0.000 0.274 324 N C -1.446 174.004 175.510 -0.100 0.000 1.002 324 N CA -0.354 52.637 53.050 -0.098 0.000 0.910 324 N CB 2.197 40.635 38.487 -0.081 0.000 1.244 324 N HN 0.508 nan 8.380 nan 0.000 0.492 325 L N 1.678 122.811 121.223 -0.149 0.000 2.346 325 L HA 0.476 4.809 4.340 -0.011 0.000 0.274 325 L C -0.086 176.625 176.870 -0.266 0.000 1.007 325 L CA -0.897 53.835 54.840 -0.180 0.000 0.818 325 L CB 1.897 43.817 42.059 -0.232 0.000 1.284 325 L HN 0.416 nan 8.230 nan 0.000 0.424 326 N N 2.391 120.946 118.700 -0.242 0.000 2.321 326 N HA 0.513 5.246 4.740 -0.011 0.000 0.299 326 N C -1.114 174.201 175.510 -0.326 0.000 1.048 326 N CA -0.531 52.336 53.050 -0.304 0.000 0.836 326 N CB 1.275 39.643 38.487 -0.198 0.000 1.269 326 N HN 0.406 nan 8.380 nan 0.000 0.486 327 M N 2.706 122.022 119.600 -0.473 0.000 2.055 327 M HA 0.394 4.867 4.480 -0.011 0.000 0.346 327 M C -0.683 175.418 176.300 -0.332 0.000 1.074 327 M CA -0.771 54.326 55.300 -0.338 0.000 1.009 327 M CB 0.431 32.785 32.600 -0.410 0.000 1.423 327 M HN 0.618 nan 8.290 nan 0.000 0.410 328 A N 5.350 128.114 122.820 -0.093 0.000 2.269 328 A HA 0.680 4.994 4.320 -0.011 0.000 0.302 328 A C -0.487 177.250 177.584 0.255 0.000 1.266 328 A CA -0.409 51.598 52.037 -0.050 0.000 0.894 328 A CB -0.055 18.955 19.000 0.017 0.000 1.147 328 A HN 0.752 nan 8.150 nan 0.000 0.537 329 F N 2.637 122.723 119.950 0.228 0.000 2.389 329 F HA 0.385 4.904 4.527 -0.013 0.000 0.337 329 F C 0.918 176.892 175.800 0.290 0.000 1.112 329 F CA -0.477 57.754 58.000 0.384 0.000 1.192 329 F CB 1.099 40.368 39.000 0.449 0.000 1.185 329 F HN 0.618 nan 8.300 nan 0.000 0.552 330 N N 1.194 120.221 118.700 0.544 0.000 3.243 330 N HA 0.512 5.246 4.740 -0.011 0.000 0.280 330 N C -2.129 173.633 175.510 0.420 0.000 1.545 330 N CA -0.480 52.792 53.050 0.371 0.000 0.854 330 N CB 2.346 40.966 38.487 0.222 0.000 1.612 330 N HN 0.489 nan 8.380 nan 0.000 0.577 331 F N 0.654 120.651 119.950 0.077 0.000 2.672 331 F HA 0.233 4.756 4.527 -0.007 0.000 0.311 331 F C -1.009 174.769 175.800 -0.037 0.000 1.113 331 F CA -0.808 57.113 58.000 -0.131 0.000 0.996 331 F CB 1.192 39.861 39.000 -0.551 0.000 1.286 331 F HN 0.479 nan 8.300 nan 0.000 0.441 332 D N 1.541 121.605 120.400 -0.560 0.000 2.479 332 D HA 0.386 5.019 4.640 -0.011 0.000 0.218 332 D C 1.280 177.194 176.300 -0.643 0.000 1.177 332 D CA 0.497 54.252 54.000 -0.408 0.000 0.830 332 D CB 0.631 41.384 40.800 -0.078 0.000 1.014 332 D HN 1.141 nan 8.370 nan 0.000 0.503 333 G N -0.802 107.146 108.800 -1.420 0.000 2.254 333 G HA2 -0.313 3.641 3.960 -0.011 0.000 0.225 333 G HA3 -0.313 3.641 3.960 -0.011 0.000 0.225 333 G C 1.090 175.618 174.900 -0.619 0.000 1.003 333 G CA 0.572 45.155 45.100 -0.862 0.000 0.622 333 G HN 0.404 nan 8.290 nan 0.000 0.507 334 T N 0.074 114.226 114.554 -0.670 0.000 3.176 334 T HA 0.240 4.584 4.350 -0.011 0.000 0.259 334 T C 0.489 175.173 174.700 -0.027 0.000 0.978 334 T CA 0.497 62.516 62.100 -0.135 0.000 1.050 334 T CB 0.292 69.105 68.868 -0.091 0.000 1.136 334 T HN 0.344 nan 8.240 nan 0.000 0.465 335 N N 0.936 119.484 118.700 -0.253 0.000 2.361 335 N HA 0.527 5.260 4.740 -0.011 0.000 0.302 335 N C -1.448 173.907 175.510 -0.258 0.000 1.074 335 N CA -0.365 52.587 53.050 -0.163 0.000 0.850 335 N CB 1.537 39.842 38.487 -0.302 0.000 1.228 335 N HN 0.102 nan 8.380 nan 0.000 0.491 336 F N 0.771 120.680 119.950 -0.069 0.000 2.377 336 F HA 0.490 5.012 4.527 -0.009 0.000 0.328 336 F C 0.115 175.714 175.800 -0.335 0.000 1.094 336 F CA -0.252 57.668 58.000 -0.133 0.000 1.093 336 F CB 0.749 39.466 39.000 -0.471 0.000 1.214 336 F HN 0.298 nan 8.300 nan 0.000 0.518 337 F N 2.032 122.193 119.950 0.351 0.000 2.576 337 F HA 0.625 5.149 4.527 -0.006 0.000 0.313 337 F C -0.547 175.569 175.800 0.526 0.000 1.078 337 F CA -0.883 57.340 58.000 0.371 0.000 0.921 337 F CB 1.733 40.876 39.000 0.237 0.000 1.232 337 F HN 0.065 nan 8.300 nan 0.000 0.459 338 I N 2.693 123.656 120.570 0.655 0.000 2.447 338 I HA 0.270 4.433 4.170 -0.011 0.000 0.287 338 I C -0.673 175.719 176.117 0.459 0.000 1.023 338 I CA -0.843 60.815 61.300 0.596 0.000 1.083 338 I CB 1.552 39.880 38.000 0.546 0.000 1.245 338 I HN 0.617 nan 8.210 nan 0.000 0.434 339 N N 5.016 123.932 118.700 0.360 0.000 2.727 339 N HA -0.205 4.528 4.740 -0.011 0.000 0.249 339 N C 0.886 176.557 175.510 0.268 0.000 1.048 339 N CA 1.411 54.623 53.050 0.271 0.000 0.714 339 N CB -0.948 37.713 38.487 0.290 0.000 0.959 339 N HN 1.180 nan 8.380 nan 0.000 0.544 340 G N -1.751 107.228 108.800 0.299 0.000 2.179 340 G HA2 -0.303 3.650 3.960 -0.011 0.000 0.260 340 G HA3 -0.303 3.650 3.960 -0.011 0.000 0.260 340 G C -0.354 174.804 174.900 0.430 0.000 0.977 340 G CA 0.618 45.860 45.100 0.237 0.000 0.641 340 G HN 0.450 nan 8.290 nan 0.000 0.533 341 E N 0.086 120.596 120.200 0.517 0.000 2.248 341 E HA 0.609 4.952 4.350 -0.011 0.000 0.267 341 E C -0.852 175.962 176.600 0.356 0.000 0.877 341 E CA -0.438 56.222 56.400 0.433 0.000 0.759 341 E CB 1.848 31.719 29.700 0.286 0.000 1.182 341 E HN 0.138 nan 8.360 nan 0.000 0.418 342 S N 2.205 117.978 115.700 0.123 0.000 2.475 342 S HA 0.457 4.920 4.470 -0.011 0.000 0.298 342 S C -0.860 173.789 174.600 0.082 0.000 1.119 342 S CA -0.605 57.543 58.200 -0.086 0.000 1.085 342 S CB 0.287 63.168 63.200 -0.531 0.000 1.028 342 S HN 0.404 nan 8.310 nan 0.000 0.489 343 F N 4.828 124.841 119.950 0.105 0.000 2.438 343 F HA 0.328 4.849 4.527 -0.010 0.000 0.360 343 F C 0.844 176.711 175.800 0.112 0.000 1.118 343 F CA -0.026 58.067 58.000 0.155 0.000 1.164 343 F CB 0.493 39.640 39.000 0.244 0.000 1.131 343 F HN 0.567 nan 8.300 nan 0.000 0.527 344 T N 5.192 119.619 114.554 -0.212 0.000 2.823 344 T HA 0.519 4.862 4.350 -0.011 0.000 0.279 344 T C -2.859 171.722 174.700 -0.198 0.000 0.998 344 T CA -2.517 59.531 62.100 -0.085 0.000 0.994 344 T CB 1.515 70.325 68.868 -0.096 0.000 0.960 344 T HN 0.279 nan 8.240 nan 0.000 0.448 345 P HA 0.213 nan 4.420 nan 0.000 0.264 345 P C -2.384 174.798 177.300 -0.197 0.000 1.193 345 P CA -0.961 62.146 63.100 0.012 0.000 0.763 345 P CB -0.346 31.323 31.700 -0.052 0.000 0.810 346 P HA 0.120 nan 4.420 nan 0.000 0.276 346 P C 0.780 177.985 177.300 -0.159 0.000 1.244 346 P CA -0.167 62.853 63.100 -0.132 0.000 0.801 346 P CB 0.640 32.307 31.700 -0.056 0.000 1.006 347 T N -0.112 114.369 114.554 -0.120 0.000 2.746 347 T HA -0.013 4.330 4.350 -0.011 0.000 0.267 347 T C 0.917 175.662 174.700 0.076 0.000 1.039 347 T CA 1.078 63.135 62.100 -0.072 0.000 1.142 347 T CB -0.219 68.627 68.868 -0.036 0.000 0.866 347 T HN 0.210 nan 8.240 nan 0.000 0.444 348 V N 3.584 123.538 119.914 0.067 0.000 2.394 348 V HA 0.297 4.411 4.120 -0.011 0.000 0.282 348 V C -2.371 173.796 176.094 0.122 0.000 1.031 348 V CA -2.440 59.914 62.300 0.090 0.000 0.881 348 V CB 1.259 33.113 31.823 0.051 0.000 0.982 348 V HN 0.109 nan 8.190 nan 0.000 0.451 349 P HA 0.052 nan 4.420 nan 0.000 0.267 349 P C 1.101 178.458 177.300 0.095 0.000 1.200 349 P CA 0.092 63.258 63.100 0.110 0.000 0.772 349 P CB 0.681 32.401 31.700 0.033 0.000 0.855 350 V N 2.895 122.850 119.914 0.068 0.000 2.324 350 V HA -0.243 3.870 4.120 -0.011 0.000 0.250 350 V C 2.170 178.293 176.094 0.049 0.000 1.060 350 V CA 1.825 64.155 62.300 0.050 0.000 1.042 350 V CB -1.099 30.741 31.823 0.028 0.000 0.650 350 V HN 0.536 nan 8.190 nan 0.000 0.450 351 L N -0.281 120.978 121.223 0.060 0.000 2.046 351 L HA -0.128 4.205 4.340 -0.011 0.000 0.208 351 L C 2.148 179.124 176.870 0.178 0.000 1.077 351 L CA 1.908 56.794 54.840 0.076 0.000 0.747 351 L CB -0.709 41.407 42.059 0.095 0.000 0.896 351 L HN 0.317 nan 8.230 nan 0.000 0.432 352 L N -0.756 120.637 121.223 0.285 0.000 2.156 352 L HA -0.153 4.180 4.340 -0.011 0.000 0.208 352 L C 2.422 179.374 176.870 0.138 0.000 1.095 352 L CA 1.540 56.548 54.840 0.280 0.000 0.770 352 L CB -0.700 41.473 42.059 0.189 0.000 0.914 352 L HN 0.428 nan 8.230 nan 0.000 0.439 353 Q N -0.540 119.318 119.800 0.097 0.000 2.096 353 Q HA -0.208 4.125 4.340 -0.011 0.000 0.204 353 Q C 2.255 178.287 176.000 0.054 0.000 0.982 353 Q CA 2.135 57.976 55.803 0.063 0.000 0.850 353 Q CB -0.218 28.549 28.738 0.049 0.000 0.901 353 Q HN 0.566 nan 8.270 nan 0.000 0.422 354 I N 0.253 120.854 120.570 0.052 0.000 2.353 354 I HA -0.249 3.914 4.170 -0.011 0.000 0.248 354 I C 2.132 178.272 176.117 0.039 0.000 1.119 354 I CA 0.891 62.212 61.300 0.035 0.000 1.417 354 I CB -0.155 37.854 38.000 0.015 0.000 1.078 354 I HN 0.192 nan 8.210 nan 0.000 0.421 355 I N 0.232 120.837 120.570 0.058 0.000 2.264 355 I HA -0.284 3.879 4.170 -0.011 0.000 0.248 355 I C 2.387 178.538 176.117 0.057 0.000 1.111 355 I CA 1.314 62.650 61.300 0.060 0.000 1.382 355 I CB -0.242 37.820 38.000 0.103 0.000 1.060 355 I HN 0.143 nan 8.210 nan 0.000 0.418 356 S N -0.194 115.543 115.700 0.061 0.000 2.481 356 S HA 0.045 4.509 4.470 -0.011 0.000 0.231 356 S C 1.529 176.149 174.600 0.034 0.000 0.996 356 S CA 1.032 59.260 58.200 0.047 0.000 0.942 356 S CB 0.331 63.558 63.200 0.045 0.000 0.768 356 S HN 0.745 nan 8.310 nan 0.000 0.520 357 G N 0.307 109.127 108.800 0.032 0.000 2.425 357 G HA2 0.017 3.970 3.960 -0.011 0.000 0.177 357 G HA3 0.017 3.970 3.960 -0.011 0.000 0.177 357 G C 0.116 175.030 174.900 0.023 0.000 0.999 357 G CA -0.317 44.798 45.100 0.025 0.000 0.723 357 G HN 0.694 nan 8.290 nan 0.000 0.491 358 A N 0.882 123.716 122.820 0.025 0.000 2.520 358 A HA 0.523 4.836 4.320 -0.011 0.000 0.245 358 A C 0.924 178.521 177.584 0.022 0.000 1.072 358 A CA 1.221 53.271 52.037 0.022 0.000 0.761 358 A CB 0.020 19.033 19.000 0.023 0.000 1.004 358 A HN 1.216 nan 8.150 nan 0.000 0.499 359 N N 0.402 119.114 118.700 0.020 0.000 2.167 359 N HA 0.151 4.884 4.740 -0.011 0.000 0.234 359 N C -0.239 175.284 175.510 0.023 0.000 1.312 359 N CA 0.357 53.421 53.050 0.022 0.000 0.861 359 N CB 0.645 39.145 38.487 0.021 0.000 1.217 359 N HN 0.496 nan 8.380 nan 0.000 0.504 360 T N -1.666 112.899 114.554 0.019 0.000 2.906 360 T HA 0.676 5.019 4.350 -0.011 0.000 0.295 360 T C 0.785 175.493 174.700 0.013 0.000 1.075 360 T CA -0.100 62.010 62.100 0.017 0.000 1.005 360 T CB 1.421 70.295 68.868 0.010 0.000 1.136 360 T HN 0.101 nan 8.240 nan 0.000 0.498 361 A N 1.672 124.497 122.820 0.009 0.000 1.948 361 A HA -0.119 4.194 4.320 -0.011 0.000 0.220 361 A C 2.363 179.934 177.584 -0.023 0.000 1.177 361 A CA 2.582 54.614 52.037 -0.008 0.000 0.636 361 A CB -1.100 17.873 19.000 -0.045 0.000 0.815 361 A HN 1.063 nan 8.150 nan 0.000 0.449 362 Q N -1.147 118.640 119.800 -0.022 0.000 2.435 362 Q HA -0.034 4.299 4.340 -0.011 0.000 0.207 362 Q C 0.602 176.595 176.000 -0.011 0.000 0.956 362 Q CA 1.303 57.093 55.803 -0.023 0.000 0.917 362 Q CB -0.670 28.056 28.738 -0.020 0.000 0.997 362 Q HN 0.706 nan 8.270 nan 0.000 0.497 363 D N 0.001 120.399 120.400 -0.003 0.000 2.339 363 D HA 0.313 4.947 4.640 -0.011 0.000 0.217 363 D C -0.019 176.283 176.300 0.005 0.000 1.050 363 D CA 0.072 54.073 54.000 0.002 0.000 0.856 363 D CB 0.215 41.019 40.800 0.007 0.000 0.922 363 D HN 0.408 nan 8.370 nan 0.000 0.518 364 L N 0.935 122.162 121.223 0.006 0.000 2.309 364 L HA 0.396 4.729 4.340 -0.011 0.000 0.282 364 L C -0.026 176.845 176.870 0.002 0.000 1.036 364 L CA -0.628 54.220 54.840 0.014 0.000 0.806 364 L CB 1.855 43.933 42.059 0.032 0.000 1.220 364 L HN -0.299 nan 8.230 nan 0.000 0.429 365 L N 4.277 125.497 121.223 -0.005 0.000 2.334 365 L HA 0.551 4.884 4.340 -0.011 0.000 0.275 365 L C -2.120 174.706 176.870 -0.073 0.000 1.036 365 L CA -1.912 52.902 54.840 -0.044 0.000 0.807 365 L CB 1.726 43.754 42.059 -0.051 0.000 1.231 365 L HN 0.358 nan 8.230 nan 0.000 0.438 366 P HA 0.081 nan 4.420 nan 0.000 0.277 366 P C -0.720 176.516 177.300 -0.106 0.000 1.240 366 P CA -0.543 62.425 63.100 -0.220 0.000 0.798 366 P CB 0.934 32.365 31.700 -0.448 0.000 0.979 367 S N 0.257 115.916 115.700 -0.068 0.000 2.544 367 S HA 0.280 4.743 4.470 -0.011 0.000 0.290 367 S C 1.329 175.929 174.600 -0.000 0.000 1.276 367 S CA 0.343 58.528 58.200 -0.026 0.000 1.075 367 S CB -1.106 62.086 63.200 -0.013 0.000 0.849 367 S HN 1.021 nan 8.310 nan 0.000 0.494 368 G N 2.543 111.337 108.800 -0.011 0.000 2.155 368 G HA2 -0.276 3.677 3.960 -0.011 0.000 0.257 368 G HA3 -0.276 3.677 3.960 -0.011 0.000 0.257 368 G C 0.594 175.514 174.900 0.034 0.000 0.983 368 G CA 0.285 45.379 45.100 -0.010 0.000 0.676 368 G HN 0.949 nan 8.290 nan 0.000 0.528 369 S N -1.187 114.565 115.700 0.086 0.000 2.559 369 S HA 0.441 4.904 4.470 -0.011 0.000 0.226 369 S C 0.559 175.373 174.600 0.355 0.000 1.000 369 S CA 0.469 58.850 58.200 0.302 0.000 0.948 369 S CB 1.173 64.596 63.200 0.371 0.000 0.870 369 S HN 0.493 nan 8.310 nan 0.000 0.497 370 V N 2.152 122.127 119.914 0.102 0.000 2.555 370 V HA 0.496 4.609 4.120 -0.011 0.000 0.302 370 V C -1.362 174.671 176.094 -0.102 0.000 1.038 370 V CA -0.725 61.664 62.300 0.148 0.000 0.887 370 V CB 1.082 32.979 31.823 0.125 0.000 0.991 370 V HN 0.276 nan 8.190 nan 0.000 0.434 371 Y N 1.658 122.048 120.300 0.149 0.000 2.350 371 Y HA 0.481 5.024 4.550 -0.011 0.000 0.338 371 Y C 0.575 176.544 175.900 0.115 0.000 0.961 371 Y CA -0.458 57.715 58.100 0.121 0.000 1.100 371 Y CB 2.141 40.675 38.460 0.123 0.000 1.179 371 Y HN 0.589 nan 8.280 nan 0.000 0.454 372 S N 4.672 120.477 115.700 0.176 0.000 2.499 372 S HA 0.555 5.018 4.470 -0.011 0.000 0.275 372 S C -0.723 173.974 174.600 0.161 0.000 1.257 372 S CA -0.474 57.812 58.200 0.144 0.000 1.050 372 S CB -0.151 63.101 63.200 0.087 0.000 0.937 372 S HN 0.582 nan 8.310 nan 0.000 0.490 373 L N 7.300 128.623 121.223 0.167 0.000 2.329 373 L HA 0.551 4.885 4.340 -0.011 0.000 0.279 373 L C -2.034 174.905 176.870 0.116 0.000 1.014 373 L CA -2.320 52.606 54.840 0.144 0.000 0.814 373 L CB 1.947 44.121 42.059 0.192 0.000 1.257 373 L HN 0.509 nan 8.230 nan 0.000 0.424 374 P HA 0.117 nan 4.420 nan 0.000 0.278 374 P C -0.454 176.892 177.300 0.076 0.000 1.238 374 P CA -0.406 62.734 63.100 0.066 0.000 0.794 374 P CB 1.389 33.114 31.700 0.040 0.000 0.955 375 S N 1.342 117.091 115.700 0.082 0.000 2.589 375 S HA 0.077 4.540 4.470 -0.011 0.000 0.265 375 S C 0.707 175.347 174.600 0.067 0.000 1.342 375 S CA -0.322 57.933 58.200 0.092 0.000 1.005 375 S CB -0.497 62.757 63.200 0.089 0.000 0.909 375 S HN 0.558 nan 8.310 nan 0.000 0.555 376 N N 0.228 118.972 118.700 0.074 0.000 2.727 376 N HA -0.147 4.587 4.740 -0.011 0.000 0.249 376 N C -0.997 174.533 175.510 0.033 0.000 1.048 376 N CA 1.111 54.194 53.050 0.055 0.000 0.714 376 N CB -1.552 36.964 38.487 0.047 0.000 0.959 376 N HN 0.630 nan 8.380 nan 0.000 0.544 377 S N -0.881 114.831 115.700 0.020 0.000 2.570 377 S HA 0.567 5.030 4.470 -0.011 0.000 0.286 377 S C 0.015 174.578 174.600 -0.062 0.000 1.099 377 S CA -0.755 57.434 58.200 -0.017 0.000 0.913 377 S CB 2.156 65.341 63.200 -0.025 0.000 1.085 377 S HN 0.303 nan 8.310 nan 0.000 0.480 378 S N 1.892 117.546 115.700 -0.075 0.000 2.562 378 S HA 0.653 5.117 4.470 -0.011 0.000 0.275 378 S C -0.464 173.998 174.600 -0.230 0.000 1.281 378 S CA -0.629 57.494 58.200 -0.127 0.000 1.045 378 S CB 0.055 63.219 63.200 -0.059 0.000 0.962 378 S HN 0.499 nan 8.310 nan 0.000 0.503 379 I N 1.810 122.120 120.570 -0.433 0.000 2.498 379 I HA 0.463 4.626 4.170 -0.011 0.000 0.290 379 I C -0.008 175.862 176.117 -0.412 0.000 1.032 379 I CA -0.510 60.474 61.300 -0.527 0.000 1.073 379 I CB 1.518 38.901 38.000 -1.027 0.000 1.251 379 I HN 0.897 nan 8.210 nan 0.000 0.426 380 E N 6.752 126.812 120.200 -0.234 0.000 2.171 380 E HA 0.681 5.025 4.350 -0.011 0.000 0.271 380 E C -1.471 175.029 176.600 -0.167 0.000 0.916 380 E CA -0.515 55.798 56.400 -0.144 0.000 0.774 380 E CB 1.712 31.363 29.700 -0.081 0.000 1.128 380 E HN 0.515 nan 8.360 nan 0.000 0.403 381 I N 3.605 124.078 120.570 -0.161 0.000 2.498 381 I HA 0.308 4.471 4.170 -0.011 0.000 0.290 381 I C -0.265 175.582 176.117 -0.451 0.000 1.032 381 I CA -0.895 60.193 61.300 -0.354 0.000 1.073 381 I CB 2.140 39.898 38.000 -0.404 0.000 1.251 381 I HN 0.545 nan 8.210 nan 0.000 0.426 382 T N 1.427 115.636 114.554 -0.575 0.000 2.888 382 T HA 0.659 5.003 4.350 -0.011 0.000 0.284 382 T C -0.656 173.566 174.700 -0.797 0.000 1.017 382 T CA -0.526 61.301 62.100 -0.456 0.000 1.022 382 T CB 1.503 70.232 68.868 -0.231 0.000 1.013 382 T HN 0.291 nan 8.240 nan 0.000 0.465 383 F N 1.993 121.742 119.950 -0.335 0.000 2.584 383 F HA 0.349 4.869 4.527 -0.011 0.000 0.328 383 F C -2.413 173.075 175.800 -0.519 0.000 1.407 383 F CA -2.403 55.275 58.000 -0.536 0.000 1.145 383 F CB 0.984 39.727 39.000 -0.428 0.000 1.440 383 F HN 0.339 nan 8.300 nan 0.000 0.580 384 P HA 0.092 nan 4.420 nan 0.000 0.267 384 P C -0.010 177.171 177.300 -0.199 0.000 1.205 384 P CA 0.203 63.172 63.100 -0.219 0.000 0.765 384 P CB 0.954 32.541 31.700 -0.189 0.000 0.828 385 A N 3.165 125.985 122.820 0.001 0.000 2.425 385 A HA 0.491 4.804 4.320 -0.011 0.000 0.249 385 A C 0.498 178.158 177.584 0.126 0.000 1.084 385 A CA 0.366 52.495 52.037 0.153 0.000 0.781 385 A CB -0.180 18.910 19.000 0.150 0.000 1.019 385 A HN 0.570 nan 8.150 nan 0.000 0.490 386 T N -0.301 114.390 114.554 0.230 0.000 2.982 386 T HA 0.417 4.761 4.350 -0.011 0.000 0.321 386 T C 1.006 175.821 174.700 0.191 0.000 1.229 386 T CA 0.242 62.444 62.100 0.172 0.000 1.044 386 T CB 1.038 69.998 68.868 0.153 0.000 1.184 386 T HN 1.142 nan 8.240 nan 0.000 0.477 387 T N 1.204 115.832 114.554 0.122 0.000 3.051 387 T HA 0.093 4.437 4.350 -0.011 0.000 0.269 387 T C 2.060 176.822 174.700 0.104 0.000 1.127 387 T CA 0.965 63.123 62.100 0.097 0.000 1.107 387 T CB -0.346 68.559 68.868 0.060 0.000 0.898 387 T HN 0.713 nan 8.240 nan 0.000 0.517 388 A N 1.111 124.011 122.820 0.134 0.000 2.168 388 A HA 0.611 4.924 4.320 -0.011 0.000 0.215 388 A C 1.650 179.336 177.584 0.169 0.000 1.152 388 A CA 0.628 52.750 52.037 0.141 0.000 0.716 388 A CB -0.474 18.613 19.000 0.146 0.000 0.794 388 A HN 0.805 nan 8.150 nan 0.000 0.465 389 A N 0.728 123.666 122.820 0.196 0.000 2.842 389 A HA 0.625 4.938 4.320 -0.011 0.000 0.339 389 A C -2.850 174.812 177.584 0.131 0.000 1.177 389 A CA -1.560 50.561 52.037 0.140 0.000 0.797 389 A CB 0.252 19.409 19.000 0.261 0.000 1.094 389 A HN 0.144 nan 8.150 nan 0.000 0.474 390 P HA 0.327 nan 4.420 nan 0.000 0.269 390 P C 1.110 178.325 177.300 -0.142 0.000 1.217 390 P CA 1.678 64.655 63.100 -0.205 0.000 0.783 390 P CB 0.646 32.096 31.700 -0.418 0.000 0.898 391 G N -0.830 107.869 108.800 -0.168 0.000 2.144 391 G HA2 -0.061 3.893 3.960 -0.011 0.000 0.218 391 G HA3 -0.061 3.893 3.960 -0.011 0.000 0.218 391 G C 0.391 175.011 174.900 -0.468 0.000 0.988 391 G CA -0.091 44.905 45.100 -0.172 0.000 0.659 391 G HN 0.803 nan 8.290 nan 0.000 0.522 392 A N 0.716 123.289 122.820 -0.412 0.000 2.507 392 A HA 0.587 4.901 4.320 -0.011 0.000 0.235 392 A C -1.011 176.494 177.584 -0.131 0.000 1.070 392 A CA 0.032 51.872 52.037 -0.329 0.000 0.768 392 A CB 0.060 19.047 19.000 -0.022 0.000 1.011 392 A HN 0.392 nan 8.150 nan 0.000 0.502 393 P HA 0.245 nan 4.420 nan 0.000 0.287 393 P C -0.967 176.316 177.300 -0.027 0.000 1.281 393 P CA -0.080 63.021 63.100 0.002 0.000 0.781 393 P CB 0.544 32.302 31.700 0.096 0.000 0.903 394 H N 4.774 123.950 119.070 0.177 0.000 2.668 394 H HA 0.208 4.757 4.556 -0.011 0.000 0.303 394 H C -1.978 173.415 175.328 0.108 0.000 1.074 394 H CA -1.722 54.437 56.048 0.184 0.000 1.406 394 H CB 0.694 30.627 29.762 0.284 0.000 1.442 394 H HN 0.315 nan 8.280 nan 0.000 0.482 395 P HA 0.152 nan 4.420 nan 0.000 0.288 395 P C -0.572 176.720 177.300 -0.013 0.000 1.363 395 P CA -0.355 62.762 63.100 0.030 0.000 0.837 395 P CB 0.026 31.775 31.700 0.081 0.000 0.981 396 F N 3.037 122.858 119.950 -0.214 0.000 2.375 396 F HA 0.364 4.883 4.527 -0.012 0.000 0.333 396 F C 1.157 176.889 175.800 -0.112 0.000 1.104 396 F CA 0.350 58.165 58.000 -0.308 0.000 1.149 396 F CB 0.829 39.406 39.000 -0.705 0.000 1.190 396 F HN 0.396 nan 8.300 nan 0.000 0.533 397 H N 3.327 122.298 119.070 -0.166 0.000 2.589 397 H HA 0.552 5.102 4.556 -0.011 0.000 0.351 397 H C -1.852 173.483 175.328 0.011 0.000 1.074 397 H CA -1.021 55.020 56.048 -0.012 0.000 1.203 397 H CB 1.496 31.260 29.762 0.003 0.000 1.558 397 H HN 0.525 nan 8.280 nan 0.000 0.522 398 L N 5.937 127.026 121.223 -0.223 0.000 2.287 398 L HA 0.337 4.670 4.340 -0.011 0.000 0.287 398 L C -0.549 176.077 176.870 -0.407 0.000 1.022 398 L CA -0.220 54.498 54.840 -0.203 0.000 0.814 398 L CB 0.535 42.588 42.059 -0.010 0.000 1.217 398 L HN 0.782 nan 8.230 nan 0.000 0.420 399 H N 3.686 122.545 119.070 -0.351 0.000 2.679 399 H HA 0.298 4.847 4.556 -0.011 0.000 0.369 399 H C 0.963 176.135 175.328 -0.259 0.000 1.178 399 H CA 0.511 56.468 56.048 -0.153 0.000 1.419 399 H CB 0.984 30.839 29.762 0.154 0.000 1.458 399 H HN 0.934 nan 8.280 nan 0.000 0.605 400 G N 1.117 109.659 108.800 -0.430 0.000 2.184 400 G HA2 -0.227 3.726 3.960 -0.011 0.000 0.264 400 G HA3 -0.227 3.726 3.960 -0.011 0.000 0.264 400 G C 0.024 174.296 174.900 -1.047 0.000 0.975 400 G CA 0.319 44.614 45.100 -1.342 0.000 0.642 400 G HN 0.798 nan 8.290 nan 0.000 0.536 401 H N -1.459 117.403 119.070 -0.348 0.000 3.064 401 H HA 0.476 5.026 4.556 -0.011 0.000 0.352 401 H C -0.012 175.281 175.328 -0.058 0.000 1.260 401 H CA -0.009 55.813 56.048 -0.377 0.000 1.160 401 H CB 1.919 31.422 29.762 -0.433 0.000 1.879 401 H HN 0.633 nan 8.280 nan 0.000 0.544 402 V N 0.233 120.232 119.914 0.142 0.000 2.997 402 V HA 0.708 4.822 4.120 -0.011 0.000 0.311 402 V C -0.292 175.985 176.094 0.306 0.000 1.066 402 V CA -0.581 61.812 62.300 0.156 0.000 1.039 402 V CB 0.852 32.863 31.823 0.314 0.000 1.081 402 V HN 0.549 nan 8.190 nan 0.000 0.467 403 F N -0.234 119.867 119.950 0.252 0.000 2.613 403 F HA 0.952 5.473 4.527 -0.010 0.000 0.314 403 F C -0.042 175.434 175.800 -0.541 0.000 1.075 403 F CA -1.386 56.584 58.000 -0.050 0.000 0.945 403 F CB 1.097 40.078 39.000 -0.030 0.000 1.310 403 F HN 0.797 nan 8.300 nan 0.000 0.467 404 A N 1.273 123.535 122.820 -0.930 0.000 2.320 404 A HA 0.602 4.916 4.320 -0.011 0.000 0.287 404 A C -0.631 176.802 177.584 -0.250 0.000 1.181 404 A CA -0.641 50.766 52.037 -1.051 0.000 0.831 404 A CB 0.449 18.730 19.000 -1.198 0.000 1.102 404 A HN 0.754 nan 8.150 nan 0.000 0.513 405 V N 5.213 125.048 119.914 -0.131 0.000 2.267 405 V HA 0.018 4.132 4.120 -0.011 0.000 0.254 405 V C 1.381 177.413 176.094 -0.103 0.000 1.144 405 V CA 0.013 62.300 62.300 -0.020 0.000 0.992 405 V CB 0.155 31.998 31.823 0.033 0.000 1.199 405 V HN 0.775 nan 8.190 nan 0.000 0.493 406 V N 3.648 123.489 119.914 -0.121 0.000 2.343 406 V HA -0.091 4.022 4.120 -0.011 0.000 0.247 406 V C 1.303 177.244 176.094 -0.255 0.000 1.051 406 V CA 1.694 63.882 62.300 -0.186 0.000 1.036 406 V CB -0.332 31.401 31.823 -0.150 0.000 0.654 406 V HN 0.799 nan 8.190 nan 0.000 0.451 407 R N -0.258 120.087 120.500 -0.259 0.000 2.513 407 R HA 0.454 4.788 4.340 -0.011 0.000 0.301 407 R C -0.735 175.437 176.300 -0.214 0.000 0.968 407 R CA -0.148 55.722 56.100 -0.382 0.000 0.872 407 R CB 1.789 31.652 30.300 -0.729 0.000 1.177 407 R HN 0.270 nan 8.270 nan 0.000 0.444 408 S N 1.722 117.319 115.700 -0.173 0.000 2.687 408 S HA 0.547 5.010 4.470 -0.011 0.000 0.283 408 S C -0.339 174.203 174.600 -0.098 0.000 1.170 408 S CA -0.569 57.567 58.200 -0.106 0.000 1.008 408 S CB 1.623 64.782 63.200 -0.069 0.000 1.026 408 S HN 0.760 nan 8.310 nan 0.000 0.541 409 A N 0.442 123.217 122.820 -0.076 0.000 2.498 409 A HA 0.503 4.816 4.320 -0.011 0.000 0.239 409 A C 1.407 178.975 177.584 -0.027 0.000 1.068 409 A CA 0.321 52.327 52.037 -0.052 0.000 0.766 409 A CB -1.048 17.915 19.000 -0.062 0.000 1.003 409 A HN 1.813 nan 8.150 nan 0.000 0.497 410 G N 0.075 108.865 108.800 -0.015 0.000 2.162 410 G HA2 -0.098 3.856 3.960 -0.011 0.000 0.260 410 G HA3 -0.098 3.856 3.960 -0.011 0.000 0.260 410 G C 0.330 175.220 174.900 -0.017 0.000 0.976 410 G CA 0.811 45.910 45.100 -0.002 0.000 0.655 410 G HN 1.912 nan 8.290 nan 0.000 0.533 411 S N -1.105 114.568 115.700 -0.046 0.000 2.536 411 S HA 0.696 5.159 4.470 -0.011 0.000 0.287 411 S C 1.048 175.590 174.600 -0.096 0.000 1.101 411 S CA 0.865 59.028 58.200 -0.063 0.000 0.950 411 S CB 1.633 64.785 63.200 -0.080 0.000 1.056 411 S HN 1.045 nan 8.310 nan 0.000 0.481 412 T N 0.114 114.625 114.554 -0.071 0.000 3.069 412 T HA 0.253 4.596 4.350 -0.011 0.000 0.252 412 T C 0.734 175.375 174.700 -0.099 0.000 1.053 412 T CA 0.141 62.199 62.100 -0.070 0.000 0.964 412 T CB -0.382 68.491 68.868 0.007 0.000 1.005 412 T HN 0.628 nan 8.240 nan 0.000 0.532 413 S N 0.656 116.278 115.700 -0.131 0.000 2.646 413 S HA 0.619 5.083 4.470 -0.011 0.000 0.276 413 S C -1.159 173.253 174.600 -0.313 0.000 1.222 413 S CA -0.839 57.309 58.200 -0.086 0.000 1.014 413 S CB 0.380 63.567 63.200 -0.022 0.000 0.991 413 S HN 0.308 nan 8.310 nan 0.000 0.533 414 Y N 1.034 121.272 120.300 -0.103 0.000 2.328 414 Y HA 0.479 5.022 4.550 -0.012 0.000 0.336 414 Y C 0.225 175.903 175.900 -0.371 0.000 0.960 414 Y CA -0.875 57.056 58.100 -0.283 0.000 1.134 414 Y CB 1.416 39.708 38.460 -0.280 0.000 1.166 414 Y HN 0.739 nan 8.280 nan 0.000 0.464 415 N N 2.958 121.469 118.700 -0.315 0.000 2.511 415 N HA 0.157 4.891 4.740 -0.011 0.000 0.249 415 N C -0.992 174.346 175.510 -0.288 0.000 0.971 415 N CA -0.450 52.484 53.050 -0.192 0.000 0.938 415 N CB 0.321 38.777 38.487 -0.051 0.000 1.131 415 N HN 0.564 nan 8.380 nan 0.000 0.505 416 Y N 0.915 121.281 120.300 0.109 0.000 2.524 416 Y HA 0.278 4.821 4.550 -0.011 0.000 0.266 416 Y C 0.901 176.863 175.900 0.105 0.000 1.180 416 Y CA -0.348 57.811 58.100 0.098 0.000 1.244 416 Y CB 0.695 39.203 38.460 0.079 0.000 1.125 416 Y HN 0.434 nan 8.280 nan 0.000 0.524 417 D N -0.246 120.271 120.400 0.195 0.000 2.725 417 D HA -0.032 4.601 4.640 -0.011 0.000 0.269 417 D C 0.394 176.795 176.300 0.168 0.000 1.018 417 D CA 1.086 55.184 54.000 0.164 0.000 0.956 417 D CB 0.268 41.138 40.800 0.117 0.000 1.141 417 D HN 0.387 nan 8.370 nan 0.000 0.478 418 D N -0.057 120.443 120.400 0.167 0.000 3.078 418 D HA 0.129 4.763 4.640 -0.011 0.000 0.363 418 D C -2.806 173.694 176.300 0.334 0.000 1.391 418 D CA -1.249 52.887 54.000 0.227 0.000 0.754 418 D CB 0.629 41.501 40.800 0.120 0.000 1.238 418 D HN 0.039 nan 8.370 nan 0.000 0.500 419 P HA 0.036 nan 4.420 nan 0.000 0.272 419 P C 0.603 177.993 177.300 0.150 0.000 1.230 419 P CA -0.501 62.679 63.100 0.134 0.000 0.788 419 P CB 1.484 33.169 31.700 -0.025 0.000 0.949 420 V N 2.693 122.643 119.914 0.060 0.000 2.788 420 V HA -0.057 4.057 4.120 -0.011 0.000 0.307 420 V C -0.543 175.583 176.094 0.053 0.000 1.069 420 V CA 0.409 62.763 62.300 0.089 0.000 1.173 420 V CB -0.680 31.151 31.823 0.013 0.000 0.925 420 V HN 0.431 nan 8.190 nan 0.000 0.492 421 W N 7.337 128.648 121.300 0.018 0.000 2.478 421 W HA 0.762 5.416 4.660 -0.011 0.000 0.318 421 W C 0.360 176.797 176.519 -0.137 0.000 1.062 421 W CA -0.473 56.856 57.345 -0.028 0.000 1.210 421 W CB 1.083 30.554 29.460 0.017 0.000 1.325 421 W HN 0.744 nan 8.180 nan 0.000 0.496 422 R N 0.595 120.979 120.500 -0.194 0.000 2.902 422 R HA 0.475 4.809 4.340 -0.011 0.000 0.264 422 R C -0.688 175.148 176.300 -0.774 0.000 1.059 422 R CA -0.552 55.359 56.100 -0.315 0.000 0.935 422 R CB 0.934 31.101 30.300 -0.222 0.000 1.325 422 R HN 0.364 nan 8.270 nan 0.000 0.438 423 D N -0.826 119.293 120.400 -0.468 0.000 2.514 423 D HA 0.207 4.840 4.640 -0.011 0.000 0.225 423 D C -0.436 175.998 176.300 0.223 0.000 1.159 423 D CA -0.058 53.756 54.000 -0.310 0.000 0.823 423 D CB 0.977 41.813 40.800 0.060 0.000 1.097 423 D HN 0.154 nan 8.370 nan 0.000 0.519 424 V N 0.883 120.888 119.914 0.152 0.000 2.638 424 V HA 0.612 4.725 4.120 -0.011 0.000 0.306 424 V C -1.020 175.189 176.094 0.192 0.000 1.052 424 V CA -1.091 61.369 62.300 0.267 0.000 0.885 424 V CB 2.302 34.193 31.823 0.112 0.000 0.999 424 V HN 0.054 nan 8.190 nan 0.000 0.424 425 V N 3.933 123.954 119.914 0.178 0.000 2.638 425 V HA 0.586 4.699 4.120 -0.011 0.000 0.306 425 V C 0.173 176.167 176.094 -0.167 0.000 1.052 425 V CA -0.218 62.099 62.300 0.029 0.000 0.885 425 V CB 2.438 34.332 31.823 0.119 0.000 0.999 425 V HN 0.996 nan 8.190 nan 0.000 0.424 426 S N 3.606 119.055 115.700 -0.419 0.000 2.537 426 S HA 0.099 4.562 4.470 -0.011 0.000 0.286 426 S C 1.274 175.710 174.600 -0.273 0.000 1.299 426 S CA 0.430 58.266 58.200 -0.606 0.000 1.067 426 S CB 0.853 63.259 63.200 -1.322 0.000 0.864 426 S HN 1.224 nan 8.310 nan 0.000 0.494 427 T N 2.400 116.889 114.554 -0.109 0.000 3.144 427 T HA 0.475 4.819 4.350 -0.011 0.000 0.249 427 T C 1.260 175.992 174.700 0.053 0.000 1.089 427 T CA 0.353 62.459 62.100 0.009 0.000 0.989 427 T CB -0.888 68.075 68.868 0.158 0.000 0.992 427 T HN 1.473 nan 8.240 nan 0.000 0.540 428 G N 1.552 110.346 108.800 -0.010 0.000 2.562 428 G HA2 -0.038 3.916 3.960 -0.011 0.000 0.250 428 G HA3 -0.038 3.916 3.960 -0.011 0.000 0.250 428 G C -0.110 174.839 174.900 0.082 0.000 1.269 428 G CA 0.108 45.223 45.100 0.025 0.000 0.919 428 G HN 1.492 nan 8.290 nan 0.000 0.574 429 T N -2.472 112.127 114.554 0.074 0.000 2.903 429 T HA 0.758 5.102 4.350 -0.011 0.000 0.299 429 T C -1.610 173.137 174.700 0.077 0.000 1.093 429 T CA -0.494 61.656 62.100 0.083 0.000 1.002 429 T CB 3.044 71.948 68.868 0.060 0.000 1.127 429 T HN 0.513 nan 8.240 nan 0.000 0.488 430 P HA -0.045 nan 4.420 nan 0.000 0.221 430 P C 1.202 178.529 177.300 0.046 0.000 1.150 430 P CA 0.984 64.125 63.100 0.068 0.000 0.800 430 P CB 0.176 31.923 31.700 0.079 0.000 0.787 431 Q N 0.521 120.346 119.800 0.042 0.000 2.135 431 Q HA -0.070 4.264 4.340 -0.011 0.000 0.204 431 Q C 2.262 178.278 176.000 0.027 0.000 0.981 431 Q CA 2.114 57.935 55.803 0.031 0.000 0.856 431 Q CB -1.299 27.455 28.738 0.027 0.000 0.902 431 Q HN 0.244 nan 8.270 nan 0.000 0.425 432 A N -0.534 122.304 122.820 0.030 0.000 2.238 432 A HA 0.383 4.697 4.320 -0.011 0.000 0.208 432 A C 1.385 178.981 177.584 0.020 0.000 1.177 432 A CA 0.589 52.640 52.037 0.023 0.000 0.804 432 A CB -0.549 18.465 19.000 0.024 0.000 0.823 432 A HN 0.406 nan 8.150 nan 0.000 0.482 433 G N 0.326 109.141 108.800 0.024 0.000 2.273 433 G HA2 -0.224 3.729 3.960 -0.011 0.000 0.280 433 G HA3 -0.224 3.729 3.960 -0.011 0.000 0.280 433 G C -0.381 174.527 174.900 0.014 0.000 1.047 433 G CA 0.255 45.367 45.100 0.021 0.000 0.869 433 G HN 0.488 nan 8.290 nan 0.000 0.502 434 D N -0.147 120.263 120.400 0.016 0.000 2.399 434 D HA 0.234 4.868 4.640 -0.011 0.000 0.241 434 D C 0.729 177.026 176.300 -0.005 0.000 1.133 434 D CA 0.379 54.379 54.000 0.001 0.000 0.890 434 D CB 0.600 41.407 40.800 0.011 0.000 1.201 434 D HN 0.427 nan 8.370 nan 0.000 0.432 435 N N 1.269 119.954 118.700 -0.025 0.000 2.716 435 N HA 0.125 4.859 4.740 -0.011 0.000 0.245 435 N C -1.233 174.258 175.510 -0.031 0.000 1.495 435 N CA -0.349 52.689 53.050 -0.021 0.000 0.759 435 N CB 0.640 39.134 38.487 0.012 0.000 1.261 435 N HN -0.001 nan 8.380 nan 0.000 0.515 436 V N 1.707 121.614 119.914 -0.012 0.000 2.673 436 V HA 0.103 4.216 4.120 -0.011 0.000 0.303 436 V C 0.401 176.532 176.094 0.061 0.000 1.046 436 V CA 0.655 62.948 62.300 -0.012 0.000 1.126 436 V CB 1.130 32.940 31.823 -0.022 0.000 0.934 436 V HN 0.422 nan 8.190 nan 0.000 0.487 437 T N 6.441 121.000 114.554 0.008 0.000 2.879 437 T HA 0.629 4.973 4.350 -0.011 0.000 0.290 437 T C -0.390 174.318 174.700 0.012 0.000 0.993 437 T CA -0.281 61.840 62.100 0.036 0.000 0.975 437 T CB 1.209 70.135 68.868 0.096 0.000 0.981 437 T HN 0.656 nan 8.240 nan 0.000 0.439 438 I N -0.007 120.572 120.570 0.016 0.000 2.846 438 I HA 0.840 5.003 4.170 -0.011 0.000 0.307 438 I C -0.835 175.293 176.117 0.020 0.000 1.053 438 I CA -1.224 60.066 61.300 -0.017 0.000 1.050 438 I CB 2.027 39.894 38.000 -0.222 0.000 1.239 438 I HN 0.275 nan 8.210 nan 0.000 0.439 439 R N 3.449 123.963 120.500 0.025 0.000 2.686 439 R HA 0.686 5.019 4.340 -0.011 0.000 0.283 439 R C -1.599 174.786 176.300 0.141 0.000 0.978 439 R CA -0.575 55.534 56.100 0.015 0.000 0.897 439 R CB 2.499 32.795 30.300 -0.006 0.000 1.192 439 R HN 0.818 nan 8.270 nan 0.000 0.457 440 F N -1.015 118.942 119.950 0.012 0.000 2.711 440 F HA 0.520 5.040 4.527 -0.012 0.000 0.313 440 F C -1.113 174.748 175.800 0.102 0.000 1.141 440 F CA -1.282 56.790 58.000 0.120 0.000 0.941 440 F CB 1.402 40.443 39.000 0.068 0.000 1.349 440 F HN 0.248 nan 8.300 nan 0.000 0.464 441 Q N 0.885 120.853 119.800 0.279 0.000 2.309 441 Q HA 0.540 4.874 4.340 -0.011 0.000 0.264 441 Q C -0.880 175.267 176.000 0.245 0.000 1.008 441 Q CA -0.567 55.318 55.803 0.137 0.000 0.853 441 Q CB 1.994 30.832 28.738 0.167 0.000 1.314 441 Q HN 0.807 nan 8.270 nan 0.000 0.448 442 T N 0.771 115.416 114.554 0.153 0.000 3.176 442 T HA 0.322 4.666 4.350 -0.011 0.000 0.301 442 T C -0.575 174.264 174.700 0.231 0.000 1.115 442 T CA -0.583 61.676 62.100 0.265 0.000 1.027 442 T CB 0.014 68.993 68.868 0.184 0.000 1.063 442 T HN 0.525 nan 8.240 nan 0.000 0.669 443 D N 2.477 123.028 120.400 0.252 0.000 2.593 443 D HA 0.115 4.748 4.640 -0.011 0.000 0.241 443 D C -0.023 176.349 176.300 0.120 0.000 1.257 443 D CA -0.254 53.831 54.000 0.143 0.000 0.828 443 D CB 0.420 41.268 40.800 0.080 0.000 1.049 443 D HN 0.488 nan 8.370 nan 0.000 0.490 444 N N 1.567 120.384 118.700 0.194 0.000 2.710 444 N HA 0.201 4.935 4.740 -0.011 0.000 0.244 444 N C -3.018 172.759 175.510 0.446 0.000 1.321 444 N CA -1.496 51.671 53.050 0.195 0.000 0.758 444 N CB 1.389 39.791 38.487 -0.143 0.000 1.284 444 N HN -0.260 nan 8.380 nan 0.000 0.530 445 P HA 0.322 nan 4.420 nan 0.000 0.264 445 P C -0.042 177.384 177.300 0.210 0.000 1.193 445 P CA 0.536 63.793 63.100 0.262 0.000 0.763 445 P CB 0.680 32.470 31.700 0.150 0.000 0.810 446 G N 3.480 112.296 108.800 0.025 0.000 2.352 446 G HA2 0.216 4.170 3.960 -0.011 0.000 0.305 446 G HA3 0.216 4.170 3.960 -0.011 0.000 0.305 446 G C -3.466 171.015 174.900 -0.699 0.000 1.537 446 G CA -0.877 43.953 45.100 -0.449 0.000 0.959 446 G HN 0.229 nan 8.290 nan 0.000 0.668 447 P HA 0.432 nan 4.420 nan 0.000 0.287 447 P C -1.154 175.759 177.300 -0.645 0.000 1.281 447 P CA -0.077 62.755 63.100 -0.447 0.000 0.781 447 P CB 0.385 31.938 31.700 -0.245 0.000 0.903 448 W N 3.309 124.652 121.300 0.072 0.000 2.656 448 W HA 0.367 5.020 4.660 -0.011 0.000 0.327 448 W C -0.077 176.486 176.519 0.072 0.000 1.041 448 W CA -0.866 56.516 57.345 0.062 0.000 1.229 448 W CB 1.210 30.762 29.460 0.153 0.000 1.397 448 W HN 0.230 nan 8.180 nan 0.000 0.479 449 F N 3.905 123.797 119.950 -0.096 0.000 2.459 449 F HA 0.419 4.939 4.527 -0.012 0.000 0.346 449 F C -0.183 175.620 175.800 0.005 0.000 1.128 449 F CA -1.057 56.815 58.000 -0.214 0.000 1.268 449 F CB 0.778 39.402 39.000 -0.627 0.000 1.161 449 F HN 0.111 nan 8.300 nan 0.000 0.583 450 L N 5.841 127.157 121.223 0.156 0.000 2.441 450 L HA 0.433 4.766 4.340 -0.011 0.000 0.270 450 L C -1.494 175.331 176.870 -0.074 0.000 0.973 450 L CA -0.174 54.698 54.840 0.054 0.000 0.842 450 L CB 1.238 43.397 42.059 0.168 0.000 1.239 450 L HN 0.783 nan 8.230 nan 0.000 0.406 451 H N 1.589 120.490 119.070 -0.282 0.000 3.003 451 H HA 0.463 5.012 4.556 -0.011 0.000 0.327 451 H C -1.049 173.573 175.328 -1.176 0.000 1.353 451 H CA -0.963 54.668 56.048 -0.695 0.000 1.142 451 H CB 0.672 29.903 29.762 -0.886 0.000 1.864 451 H HN 0.696 nan 8.280 nan 0.000 0.529 452 C N 2.056 120.404 119.300 -1.587 0.000 2.653 452 C HA 0.088 4.542 4.460 -0.011 0.000 0.421 452 C C 1.300 176.103 174.990 -0.311 0.000 1.334 452 C CA 0.019 58.260 59.018 -1.295 0.000 1.885 452 C CB -0.884 26.291 27.740 -0.941 0.000 2.645 452 C HN 0.992 nan 8.230 nan 0.000 0.601 453 H N 4.106 123.044 119.070 -0.219 0.000 2.526 453 H HA 0.283 4.832 4.556 -0.011 0.000 0.274 453 H C 0.505 175.854 175.328 0.035 0.000 0.999 453 H CA 0.287 56.364 56.048 0.047 0.000 1.157 453 H CB 0.023 29.843 29.762 0.096 0.000 1.407 453 H HN 0.655 nan 8.280 nan 0.000 0.568 454 I N 1.594 122.196 120.570 0.053 0.000 2.483 454 I HA -0.109 4.055 4.170 -0.011 0.000 0.291 454 I C 1.444 177.459 176.117 -0.170 0.000 1.112 454 I CA 0.055 61.307 61.300 -0.080 0.000 1.350 454 I CB 0.712 38.518 38.000 -0.323 0.000 1.419 454 I HN 0.009 nan 8.210 nan 0.000 0.523 455 D N 4.970 125.183 120.400 -0.312 0.000 2.178 455 D HA -0.189 4.444 4.640 -0.011 0.000 0.201 455 D C 1.770 177.820 176.300 -0.417 0.000 0.980 455 D CA 1.764 55.467 54.000 -0.494 0.000 0.842 455 D CB 0.128 40.378 40.800 -0.916 0.000 0.948 455 D HN 0.467 nan 8.370 nan 0.000 0.472 456 F N -0.189 119.718 119.950 -0.072 0.000 2.216 456 F HA -0.045 4.474 4.527 -0.012 0.000 0.300 456 F C 2.367 178.403 175.800 0.393 0.000 1.085 456 F CA 1.103 59.163 58.000 0.099 0.000 1.326 456 F CB -0.750 38.350 39.000 0.168 0.000 1.027 456 F HN 0.262 nan 8.300 nan 0.000 0.497 457 H N -1.084 118.181 119.070 0.324 0.000 2.372 457 H HA -0.075 4.475 4.556 -0.010 0.000 0.301 457 H C 2.141 177.521 175.328 0.087 0.000 1.065 457 H CA 0.703 56.834 56.048 0.138 0.000 1.364 457 H CB -0.191 29.406 29.762 -0.274 0.000 1.406 457 H HN 0.157 nan 8.280 nan 0.000 0.521 458 L N 1.618 122.906 121.223 0.107 0.000 2.013 458 L HA -0.216 4.117 4.340 -0.011 0.000 0.212 458 L C 1.741 178.665 176.870 0.089 0.000 1.073 458 L CA 2.062 56.889 54.840 -0.023 0.000 0.753 458 L CB -0.555 41.355 42.059 -0.249 0.000 0.890 458 L HN 0.140 nan 8.230 nan 0.000 0.432 459 D N -0.764 119.696 120.400 0.100 0.000 2.264 459 D HA -0.082 4.552 4.640 -0.011 0.000 0.208 459 D C 1.731 178.155 176.300 0.207 0.000 0.966 459 D CA 1.035 55.111 54.000 0.128 0.000 0.864 459 D CB 0.014 40.854 40.800 0.066 0.000 0.933 459 D HN 0.487 nan 8.370 nan 0.000 0.499 460 A N -1.108 121.910 122.820 0.332 0.000 2.337 460 A HA 0.536 4.850 4.320 -0.011 0.000 0.227 460 A C 1.588 179.393 177.584 0.368 0.000 1.259 460 A CA 0.606 52.888 52.037 0.408 0.000 0.870 460 A CB -0.325 19.137 19.000 0.769 0.000 0.927 460 A HN 0.356 nan 8.150 nan 0.000 0.497 461 G N -1.954 107.039 108.800 0.322 0.000 2.163 461 G HA2 -0.206 3.747 3.960 -0.011 0.000 0.213 461 G HA3 -0.206 3.747 3.960 -0.011 0.000 0.213 461 G C -0.051 175.083 174.900 0.390 0.000 0.991 461 G CA -0.018 45.269 45.100 0.311 0.000 0.653 461 G HN 0.438 nan 8.290 nan 0.000 0.518 462 F N 2.332 122.340 119.950 0.096 0.000 2.661 462 F HA 0.696 5.217 4.527 -0.011 0.000 0.356 462 F C 0.571 176.325 175.800 -0.076 0.000 1.244 462 F CA -0.729 57.245 58.000 -0.044 0.000 1.290 462 F CB -0.306 38.411 39.000 -0.471 0.000 1.677 462 F HN 0.708 nan 8.300 nan 0.000 0.649 463 A N 2.251 125.188 122.820 0.196 0.000 2.608 463 A HA 0.770 5.083 4.320 -0.011 0.000 0.292 463 A C -1.411 176.309 177.584 0.226 0.000 1.066 463 A CA -0.257 51.754 52.037 -0.044 0.000 0.676 463 A CB 1.368 20.028 19.000 -0.565 0.000 1.277 463 A HN 0.541 nan 8.150 nan 0.000 0.413 464 V N -1.956 118.070 119.914 0.186 0.000 3.167 464 V HA 0.949 5.062 4.120 -0.011 0.000 0.310 464 V C -0.932 175.399 176.094 0.395 0.000 1.207 464 V CA -0.887 61.667 62.300 0.422 0.000 1.059 464 V CB 1.500 33.589 31.823 0.444 0.000 1.079 464 V HN 1.069 nan 8.190 nan 0.000 0.446 465 V N 2.336 122.544 119.914 0.491 0.000 2.540 465 V HA 0.525 4.638 4.120 -0.011 0.000 0.302 465 V C -0.218 176.106 176.094 0.384 0.000 1.035 465 V CA -0.517 62.019 62.300 0.393 0.000 0.873 465 V CB 1.842 33.855 31.823 0.316 0.000 0.992 465 V HN 0.860 nan 8.190 nan 0.000 0.428 466 M N 4.144 123.945 119.600 0.335 0.000 2.094 466 M HA 0.421 4.894 4.480 -0.011 0.000 0.348 466 M C 0.273 176.745 176.300 0.286 0.000 1.267 466 M CA -0.270 55.236 55.300 0.343 0.000 1.125 466 M CB 0.822 33.647 32.600 0.375 0.000 1.527 466 M HN 0.715 nan 8.290 nan 0.000 0.447 467 A N 3.881 126.841 122.820 0.234 0.000 2.650 467 A HA 0.290 4.604 4.320 -0.011 0.000 0.320 467 A C 0.242 177.930 177.584 0.174 0.000 1.466 467 A CA -0.457 51.664 52.037 0.141 0.000 1.099 467 A CB -0.272 18.793 19.000 0.108 0.000 1.136 467 A HN 0.786 nan 8.150 nan 0.000 0.532 468 E N 2.663 122.993 120.200 0.218 0.000 2.194 468 E HA 0.243 4.586 4.350 -0.011 0.000 0.284 468 E C -0.557 176.163 176.600 0.200 0.000 1.035 468 E CA -0.290 56.283 56.400 0.288 0.000 0.836 468 E CB 0.353 30.363 29.700 0.518 0.000 1.070 468 E HN 0.627 nan 8.360 nan 0.000 0.401 469 D N 4.349 124.846 120.400 0.163 0.000 2.737 469 D HA -0.229 4.405 4.640 -0.011 0.000 0.238 469 D C 0.626 176.979 176.300 0.088 0.000 1.157 469 D CA 0.667 54.739 54.000 0.120 0.000 0.694 469 D CB -1.102 39.776 40.800 0.131 0.000 1.021 469 D HN 0.680 nan 8.370 nan 0.000 0.420 470 I N -0.062 120.553 120.570 0.075 0.000 2.147 470 I HA -0.286 3.877 4.170 -0.011 0.000 0.245 470 I C -0.494 175.647 176.117 0.041 0.000 1.059 470 I CA 1.648 62.978 61.300 0.051 0.000 1.320 470 I CB -1.005 37.023 38.000 0.048 0.000 1.021 470 I HN 0.318 nan 8.210 nan 0.000 0.415 471 P HA -0.126 nan 4.420 nan 0.000 0.218 471 P C 0.700 178.022 177.300 0.037 0.000 1.146 471 P CA 1.414 64.536 63.100 0.037 0.000 0.813 471 P CB -0.013 31.710 31.700 0.039 0.000 0.778 472 N N -3.025 115.701 118.700 0.045 0.000 2.200 472 N HA 0.073 4.807 4.740 -0.011 0.000 0.224 472 N C 1.028 176.563 175.510 0.040 0.000 1.179 472 N CA 0.254 53.330 53.050 0.044 0.000 0.877 472 N CB -0.372 38.148 38.487 0.055 0.000 1.072 472 N HN -0.025 nan 8.380 nan 0.000 0.519 473 T N 0.027 114.598 114.554 0.028 0.000 2.720 473 T HA -0.070 4.273 4.350 -0.011 0.000 0.268 473 T C 1.996 176.690 174.700 -0.009 0.000 1.037 473 T CA 1.203 63.304 62.100 0.001 0.000 1.144 473 T CB 0.095 68.947 68.868 -0.026 0.000 0.864 473 T HN -0.026 nan 8.240 nan 0.000 0.444 474 V N 2.132 122.045 119.914 -0.003 0.000 2.379 474 V HA -0.123 3.991 4.120 -0.011 0.000 0.245 474 V C 2.204 178.298 176.094 0.001 0.000 1.044 474 V CA 1.494 63.788 62.300 -0.010 0.000 1.036 474 V CB -0.734 31.088 31.823 -0.001 0.000 0.664 474 V HN 0.435 nan 8.190 nan 0.000 0.453 475 N N 1.626 120.336 118.700 0.015 0.000 2.104 475 N HA -0.143 4.590 4.740 -0.011 0.000 0.190 475 N C 1.728 177.257 175.510 0.032 0.000 1.024 475 N CA 1.744 54.807 53.050 0.023 0.000 0.853 475 N CB -0.585 37.919 38.487 0.029 0.000 1.008 475 N HN 0.494 nan 8.380 nan 0.000 0.424 476 A N -0.170 122.674 122.820 0.041 0.000 2.072 476 A HA 0.087 4.401 4.320 -0.011 0.000 0.216 476 A C 0.600 178.227 177.584 0.071 0.000 1.156 476 A CA 0.615 52.689 52.037 0.061 0.000 0.701 476 A CB 0.084 19.132 19.000 0.080 0.000 0.816 476 A HN 0.197 nan 8.150 nan 0.000 0.458 477 N N 1.089 119.819 118.700 0.051 0.000 2.757 477 N HA 0.221 4.954 4.740 -0.011 0.000 0.296 477 N C -3.113 172.425 175.510 0.047 0.000 1.874 477 N CA -0.946 52.154 53.050 0.083 0.000 0.885 477 N CB 0.914 39.423 38.487 0.036 0.000 1.242 477 N HN 0.265 nan 8.380 nan 0.000 0.488 478 P HA 0.002 nan 4.420 nan 0.000 0.268 478 P C 0.148 177.344 177.300 -0.173 0.000 1.205 478 P CA -0.042 63.030 63.100 -0.047 0.000 0.771 478 P CB 1.001 32.693 31.700 -0.013 0.000 0.858 479 V N 0.993 120.711 119.914 -0.328 0.000 2.547 479 V HA 0.645 4.758 4.120 -0.011 0.000 0.299 479 V C -2.162 173.637 176.094 -0.492 0.000 1.040 479 V CA -2.477 59.413 62.300 -0.683 0.000 0.913 479 V CB 1.114 32.496 31.823 -0.734 0.000 0.992 479 V HN 0.434 nan 8.190 nan 0.000 0.449 480 P HA 0.259 nan 4.420 nan 0.000 0.276 480 P C 0.202 177.433 177.300 -0.115 0.000 1.244 480 P CA -0.243 62.644 63.100 -0.356 0.000 0.801 480 P CB 1.443 32.859 31.700 -0.473 0.000 1.006 481 Q N 2.052 121.820 119.800 -0.053 0.000 2.112 481 Q HA -0.199 4.135 4.340 -0.011 0.000 0.206 481 Q C 2.043 178.081 176.000 0.062 0.000 0.987 481 Q CA 2.641 58.451 55.803 0.012 0.000 0.858 481 Q CB -1.284 27.455 28.738 0.002 0.000 0.905 481 Q HN 0.580 nan 8.270 nan 0.000 0.420 482 A N -0.885 121.989 122.820 0.089 0.000 1.933 482 A HA -0.180 4.134 4.320 -0.011 0.000 0.218 482 A C 1.921 179.669 177.584 0.274 0.000 1.175 482 A CA 1.387 53.543 52.037 0.198 0.000 0.628 482 A CB -1.251 17.905 19.000 0.260 0.000 0.814 482 A HN 0.735 nan 8.150 nan 0.000 0.444 483 W N 1.177 122.549 121.300 0.120 0.000 2.379 483 W HA -0.160 4.493 4.660 -0.012 0.000 0.307 483 W C 2.327 178.789 176.519 -0.096 0.000 1.200 483 W CA 2.018 59.350 57.345 -0.021 0.000 1.297 483 W CB -0.213 29.198 29.460 -0.082 0.000 1.140 483 W HN 0.286 nan 8.180 nan 0.000 0.507 484 S N 0.333 116.164 115.700 0.219 0.000 2.419 484 S HA -0.237 4.226 4.470 -0.011 0.000 0.235 484 S C 1.216 175.736 174.600 -0.133 0.000 1.019 484 S CA 1.719 59.944 58.200 0.042 0.000 0.982 484 S CB -0.674 62.606 63.200 0.133 0.000 0.789 484 S HN 0.481 nan 8.310 nan 0.000 0.490 485 N N 0.693 119.334 118.700 -0.099 0.000 2.463 485 N HA 0.196 4.930 4.740 -0.011 0.000 0.181 485 N C 1.352 176.764 175.510 -0.163 0.000 1.078 485 N CA 0.081 53.074 53.050 -0.095 0.000 0.902 485 N CB -0.090 38.381 38.487 -0.027 0.000 0.970 485 N HN 0.277 nan 8.380 nan 0.000 0.451 486 L N 0.289 121.323 121.223 -0.315 0.000 2.017 486 L HA -0.230 4.103 4.340 -0.011 0.000 0.208 486 L C 2.232 178.952 176.870 -0.251 0.000 1.073 486 L CA 1.101 55.726 54.840 -0.357 0.000 0.745 486 L CB -0.465 41.205 42.059 -0.648 0.000 0.894 486 L HN 0.359 nan 8.230 nan 0.000 0.432 487 c N -0.447 117.963 118.600 -0.316 0.000 2.453 487 c HA -0.054 4.509 4.570 -0.011 0.000 0.277 487 c C 0.302 174.375 174.090 -0.028 0.000 1.262 487 c CA 0.473 56.709 56.329 -0.154 0.000 1.718 487 c CB -1.571 40.819 42.510 -0.201 0.000 2.031 487 c HN 0.364 nan 8.230 nan 0.000 0.480 488 P HA -0.081 nan 4.420 nan 0.000 0.216 488 P C 1.512 178.807 177.300 -0.008 0.000 1.150 488 P CA 1.845 64.930 63.100 -0.025 0.000 0.837 488 P CB -0.313 31.365 31.700 -0.036 0.000 0.786 489 T N -1.565 112.982 114.554 -0.011 0.000 2.708 489 T HA -0.201 4.143 4.350 -0.011 0.000 0.266 489 T C 1.650 176.368 174.700 0.030 0.000 1.037 489 T CA 1.229 63.332 62.100 0.005 0.000 1.146 489 T CB -1.087 67.782 68.868 0.003 0.000 0.865 489 T HN 0.090 nan 8.240 nan 0.000 0.435 490 Y N 2.173 122.437 120.300 -0.061 0.000 2.181 490 Y HA -0.143 4.400 4.550 -0.012 0.000 0.288 490 Y C 2.061 177.962 175.900 0.003 0.000 1.146 490 Y CA 1.397 59.480 58.100 -0.027 0.000 1.164 490 Y CB -0.311 38.123 38.460 -0.043 0.000 0.982 490 Y HN 0.138 nan 8.280 nan 0.000 0.515 491 D N -0.094 120.323 120.400 0.028 0.000 2.264 491 D HA -0.070 4.563 4.640 -0.011 0.000 0.208 491 D C 1.928 178.169 176.300 -0.100 0.000 0.966 491 D CA 1.121 55.096 54.000 -0.041 0.000 0.864 491 D CB -0.185 40.645 40.800 0.051 0.000 0.933 491 D HN 0.485 nan 8.370 nan 0.000 0.499 492 A N 0.288 123.059 122.820 -0.082 0.000 2.208 492 A HA 0.089 4.403 4.320 -0.011 0.000 0.209 492 A C 1.176 178.701 177.584 -0.099 0.000 1.161 492 A CA -0.054 51.940 52.037 -0.072 0.000 0.782 492 A CB -0.180 18.795 19.000 -0.042 0.000 0.816 492 A HN 0.127 nan 8.150 nan 0.000 0.477 493 L N 0.569 121.693 121.223 -0.164 0.000 2.439 493 L HA 0.113 4.446 4.340 -0.011 0.000 0.269 493 L C 0.928 177.714 176.870 -0.141 0.000 1.179 493 L CA -0.412 54.334 54.840 -0.156 0.000 0.828 493 L CB 0.396 42.318 42.059 -0.230 0.000 1.106 493 L HN 0.328 nan 8.230 nan 0.000 0.467 494 E N 3.353 123.498 120.200 -0.092 0.000 2.413 494 E HA -0.019 4.324 4.350 -0.011 0.000 0.263 494 E C -1.718 174.831 176.600 -0.085 0.000 1.015 494 E CA -1.312 55.043 56.400 -0.076 0.000 0.916 494 E CB 1.234 30.902 29.700 -0.052 0.000 0.947 494 E HN 0.320 nan 8.360 nan 0.000 0.440 495 P HA -0.188 nan 4.420 nan 0.000 0.217 495 P C 1.187 178.474 177.300 -0.022 0.000 1.148 495 P CA 1.676 64.744 63.100 -0.053 0.000 0.828 495 P CB 0.089 31.768 31.700 -0.035 0.000 0.783 496 S N -2.205 113.477 115.700 -0.029 0.000 2.547 496 S HA -0.029 4.434 4.470 -0.011 0.000 0.235 496 S C 1.473 176.079 174.600 0.011 0.000 0.980 496 S CA 0.699 58.886 58.200 -0.022 0.000 0.941 496 S CB -0.934 62.218 63.200 -0.080 0.000 0.763 496 S HN 0.081 nan 8.310 nan 0.000 0.532 497 N N 0.877 119.578 118.700 0.001 0.000 2.236 497 N HA 0.283 5.016 4.740 -0.011 0.000 0.196 497 N C 0.099 175.637 175.510 0.047 0.000 1.114 497 N CA 0.084 53.148 53.050 0.024 0.000 0.859 497 N CB 0.242 38.727 38.487 -0.002 0.000 0.982 497 N HN 0.495 nan 8.380 nan 0.000 0.493 498 E N 0.000 120.228 120.200 0.046 0.000 2.725 498 E HA 0.000 4.343 4.350 -0.011 0.000 0.291 498 E CA 0.000 56.476 56.400 0.126 0.000 0.976 498 E CB 0.000 29.769 29.700 0.115 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440