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 1m1n_1_E DATA FIRST_RESID 4 DATA SEQUENCE MSREEVESLI QEVLEVYPEK ARKDRNKHLA VNDPAVTQSK KCIISNKKSQ DATA SEQUENCE PGLMTIRGCA YAGSKGVVWG PIKDMIHISH GPVGCGQYSR AGRRNYYIGT DATA SEQUENCE TGVNAFVTMN FTSDFQEKDI VFGGDKKLAK LIDEVETLFP LNKGISVQSE DATA SEQUENCE CPIGLIGDDI ESVSKVKGAE LSKTIVPVRC EGFRGVSQSL GHHIANDAVR DATA SEQUENCE DWVLGKRDED TTFASTPYDV AIIGDYNIGG DAWSSRILLE EMGLRCVAQW DATA SEQUENCE SGDGSISEIE LTPKVKLNLV HCYRSMNYIS RHMEEKYGIP WMEYNFFGPT DATA SEQUENCE KTIESLRAIA AKFDESIQKK CEEVIAKYKP EWEAVVAKYR PRLEGKRVML DATA SEQUENCE YIGGLRPRHV IGAYEDLGME VVGTGYEFAH NDDYDRTMKE MGDSTLLYDD DATA SEQUENCE VTGYEFEEFV KRIKPDLIGS GIKEKFIFQK MGIPFREMHS WDYSGPYHGF DATA SEQUENCE DGFAIFARDM DMTLNNPCWK KLQAPWE 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 4 M HA 0.000 nan 4.480 nan 0.000 0.227 4 M C 0.000 176.288 176.300 -0.020 0.000 1.140 4 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 4 M CB 0.000 32.586 32.600 -0.023 0.000 1.302 5 S N 1.182 116.872 115.700 -0.016 0.000 2.617 5 S HA 0.395 4.865 4.470 0.001 0.000 0.259 5 S C 0.863 175.453 174.600 -0.017 0.000 1.301 5 S CA -0.239 57.952 58.200 -0.015 0.000 0.984 5 S CB 1.404 64.598 63.200 -0.011 0.000 0.954 5 S HN 0.931 nan 8.310 nan 0.000 0.572 6 R N 0.416 120.906 120.500 -0.016 0.000 2.073 6 R HA -0.089 4.252 4.340 0.001 0.000 0.234 6 R C 2.194 178.486 176.300 -0.013 0.000 1.134 6 R CA 1.803 57.893 56.100 -0.017 0.000 0.952 6 R CB -0.477 29.814 30.300 -0.014 0.000 0.850 6 R HN 0.871 nan 8.270 nan 0.000 0.433 7 E N 0.013 120.208 120.200 -0.008 0.000 2.150 7 E HA -0.190 4.161 4.350 0.001 0.000 0.193 7 E C 1.840 178.439 176.600 -0.002 0.000 0.985 7 E CA 1.244 57.642 56.400 -0.003 0.000 0.814 7 E CB 0.109 29.808 29.700 -0.001 0.000 0.752 7 E HN 0.492 nan 8.360 nan 0.000 0.466 8 E N -0.063 120.133 120.200 -0.006 0.000 2.072 8 E HA -0.135 4.216 4.350 0.001 0.000 0.191 8 E C 2.120 178.716 176.600 -0.007 0.000 0.985 8 E CA 0.952 57.350 56.400 -0.004 0.000 0.801 8 E CB 0.231 29.927 29.700 -0.007 0.000 0.750 8 E HN 0.073 nan 8.360 nan 0.000 0.452 9 V N 1.290 121.193 119.914 -0.020 0.000 2.453 9 V HA -0.195 3.926 4.120 0.001 0.000 0.247 9 V C 1.940 178.019 176.094 -0.025 0.000 1.048 9 V CA 1.571 63.848 62.300 -0.038 0.000 1.049 9 V CB -0.410 31.378 31.823 -0.059 0.000 0.672 9 V HN 0.201 nan 8.190 nan 0.000 0.457 10 E N 0.378 120.572 120.200 -0.011 0.000 2.077 10 E HA -0.180 4.171 4.350 0.001 0.000 0.193 10 E C 2.433 179.047 176.600 0.024 0.000 0.989 10 E CA 1.607 58.010 56.400 0.006 0.000 0.800 10 E CB -0.191 29.513 29.700 0.006 0.000 0.746 10 E HN 0.506 nan 8.360 nan 0.000 0.452 11 S N 0.943 116.655 115.700 0.021 0.000 2.368 11 S HA -0.142 4.329 4.470 0.001 0.000 0.225 11 S C 1.899 176.529 174.600 0.050 0.000 1.030 11 S CA 0.675 58.894 58.200 0.032 0.000 0.999 11 S CB -0.212 63.002 63.200 0.024 0.000 0.844 11 S HN 0.161 nan 8.310 nan 0.000 0.459 12 L N 2.128 123.381 121.223 0.051 0.000 2.012 12 L HA -0.081 4.260 4.340 0.001 0.000 0.210 12 L C 1.893 178.860 176.870 0.162 0.000 1.073 12 L CA 1.667 56.563 54.840 0.092 0.000 0.748 12 L CB -0.670 41.429 42.059 0.067 0.000 0.891 12 L HN 0.292 nan 8.230 nan 0.000 0.431 13 I N -0.737 119.914 120.570 0.135 0.000 2.127 13 I HA -0.316 3.855 4.170 0.001 0.000 0.241 13 I C 2.531 178.757 176.117 0.181 0.000 1.075 13 I CA 1.168 62.593 61.300 0.210 0.000 1.334 13 I CB -0.485 37.592 38.000 0.128 0.000 1.040 13 I HN 0.379 nan 8.210 nan 0.000 0.405 14 Q N 0.336 120.206 119.800 0.117 0.000 2.124 14 Q HA -0.255 4.086 4.340 0.001 0.000 0.202 14 Q C 1.997 178.050 176.000 0.087 0.000 0.977 14 Q CA 1.497 57.358 55.803 0.097 0.000 0.850 14 Q CB -0.493 28.285 28.738 0.067 0.000 0.901 14 Q HN 0.594 nan 8.270 nan 0.000 0.429 15 E N 0.301 120.550 120.200 0.082 0.000 2.051 15 E HA -0.131 4.220 4.350 0.001 0.000 0.192 15 E C 2.009 178.648 176.600 0.065 0.000 0.991 15 E CA 1.134 57.572 56.400 0.063 0.000 0.799 15 E CB 0.243 29.977 29.700 0.056 0.000 0.748 15 E HN 0.118 nan 8.360 nan 0.000 0.449 16 V N 1.506 121.475 119.914 0.092 0.000 2.343 16 V HA -0.255 3.866 4.120 0.001 0.000 0.247 16 V C 2.447 178.553 176.094 0.020 0.000 1.051 16 V CA 1.411 63.752 62.300 0.069 0.000 1.036 16 V CB -0.405 31.442 31.823 0.040 0.000 0.654 16 V HN 0.342 nan 8.190 nan 0.000 0.451 17 L N -0.337 120.922 121.223 0.061 0.000 2.362 17 L HA -0.121 4.220 4.340 0.001 0.000 0.219 17 L C 2.384 179.253 176.870 -0.003 0.000 1.134 17 L CA 0.996 55.875 54.840 0.066 0.000 0.807 17 L CB -0.596 41.582 42.059 0.200 0.000 0.927 17 L HN 0.416 nan 8.230 nan 0.000 0.447 18 E N -0.448 119.745 120.200 -0.011 0.000 2.265 18 E HA -0.212 4.139 4.350 0.001 0.000 0.196 18 E C 2.216 178.772 176.600 -0.073 0.000 0.996 18 E CA 0.882 57.274 56.400 -0.015 0.000 0.832 18 E CB -0.026 29.675 29.700 0.001 0.000 0.756 18 E HN 0.282 nan 8.360 nan 0.000 0.491 19 V N 0.582 120.368 119.914 -0.213 0.000 2.809 19 V HA -0.150 3.971 4.120 0.001 0.000 0.256 19 V C 0.174 176.151 176.094 -0.195 0.000 1.080 19 V CA 0.976 63.095 62.300 -0.302 0.000 1.102 19 V CB -0.188 31.234 31.823 -0.668 0.000 0.705 19 V HN 0.093 nan 8.190 nan 0.000 0.475 20 Y N 0.901 121.152 120.300 -0.083 0.000 2.307 20 Y HA 0.479 5.030 4.550 0.001 0.000 0.324 20 Y C -1.411 174.464 175.900 -0.042 0.000 1.238 20 Y CA -3.506 54.550 58.100 -0.072 0.000 1.280 20 Y CB -0.623 37.814 38.460 -0.039 0.000 1.248 20 Y HN 0.140 nan 8.280 nan 0.000 0.508 21 P HA 0.038 nan 4.420 nan 0.000 0.270 21 P C 0.293 177.629 177.300 0.061 0.000 1.227 21 P CA -0.002 63.135 63.100 0.062 0.000 0.788 21 P CB 0.760 32.476 31.700 0.027 0.000 0.926 22 E N 0.692 120.916 120.200 0.039 0.000 2.085 22 E HA -0.254 4.097 4.350 0.001 0.000 0.194 22 E C 1.783 178.396 176.600 0.022 0.000 0.994 22 E CA 1.287 57.709 56.400 0.037 0.000 0.801 22 E CB -0.134 29.581 29.700 0.025 0.000 0.743 22 E HN 0.463 nan 8.360 nan 0.000 0.453 23 K N 0.777 121.179 120.400 0.004 0.000 2.026 23 K HA -0.161 4.159 4.320 0.001 0.000 0.208 23 K C 2.164 178.742 176.600 -0.036 0.000 1.048 23 K CA 1.312 57.593 56.287 -0.011 0.000 0.929 23 K CB -0.143 32.347 32.500 -0.016 0.000 0.713 23 K HN 0.093 nan 8.250 nan 0.000 0.439 24 A N 1.670 124.444 122.820 -0.077 0.000 1.933 24 A HA -0.182 4.138 4.320 0.001 0.000 0.218 24 A C 2.180 179.650 177.584 -0.189 0.000 1.175 24 A CA 1.545 53.463 52.037 -0.198 0.000 0.628 24 A CB -0.598 18.201 19.000 -0.335 0.000 0.814 24 A HN 0.431 nan 8.150 nan 0.000 0.444 25 R N -0.025 120.464 120.500 -0.020 0.000 2.073 25 R HA -0.137 4.203 4.340 0.001 0.000 0.234 25 R C 2.024 178.378 176.300 0.088 0.000 1.134 25 R CA 1.842 58.020 56.100 0.131 0.000 0.952 25 R CB -0.269 30.136 30.300 0.175 0.000 0.850 25 R HN 0.505 nan 8.270 nan 0.000 0.433 26 K N 0.009 120.440 120.400 0.053 0.000 2.097 26 K HA -0.181 4.140 4.320 0.001 0.000 0.206 26 K C 1.735 178.369 176.600 0.056 0.000 1.049 26 K CA 1.819 58.136 56.287 0.050 0.000 0.933 26 K CB -0.167 32.353 32.500 0.034 0.000 0.717 26 K HN 0.261 nan 8.250 nan 0.000 0.442 27 D N 0.304 120.728 120.400 0.038 0.000 2.091 27 D HA -0.102 4.539 4.640 0.001 0.000 0.199 27 D C 1.942 178.342 176.300 0.167 0.000 0.980 27 D CA 0.937 54.984 54.000 0.079 0.000 0.831 27 D CB 0.300 41.113 40.800 0.021 0.000 0.987 27 D HN -0.082 nan 8.370 nan 0.000 0.460 28 R N 0.611 121.159 120.500 0.080 0.000 2.148 28 R HA -0.070 4.271 4.340 0.001 0.000 0.227 28 R C 1.992 178.428 176.300 0.226 0.000 1.103 28 R CA 0.454 56.640 56.100 0.143 0.000 0.983 28 R CB -1.317 29.018 30.300 0.059 0.000 0.874 28 R HN 0.477 nan 8.270 nan 0.000 0.451 29 N N 1.572 120.378 118.700 0.176 0.000 2.205 29 N HA -0.167 4.574 4.740 0.001 0.000 0.186 29 N C 0.914 176.485 175.510 0.101 0.000 1.015 29 N CA 1.045 54.183 53.050 0.146 0.000 0.862 29 N CB 0.139 38.691 38.487 0.109 0.000 0.986 29 N HN 0.245 nan 8.380 nan 0.000 0.429 30 K N -0.713 119.735 120.400 0.081 0.000 2.365 30 K HA -0.041 4.279 4.320 0.001 0.000 0.199 30 K C 0.815 177.299 176.600 -0.195 0.000 1.045 30 K CA 0.694 56.943 56.287 -0.063 0.000 0.962 30 K CB 0.036 32.467 32.500 -0.115 0.000 0.759 30 K HN 0.396 nan 8.250 nan 0.000 0.469 31 H N -0.402 118.686 119.070 0.030 0.000 2.594 31 H HA 0.242 4.798 4.556 0.001 0.000 0.279 31 H C -0.316 175.056 175.328 0.072 0.000 1.042 31 H CA 0.074 56.139 56.048 0.029 0.000 1.177 31 H CB 0.507 30.311 29.762 0.069 0.000 1.524 31 H HN -0.009 nan 8.280 nan 0.000 0.537 32 L N 0.900 122.217 121.223 0.157 0.000 2.409 32 L HA 0.696 5.037 4.340 0.001 0.000 0.272 32 L C -0.486 176.418 176.870 0.057 0.000 0.980 32 L CA -0.786 54.151 54.840 0.162 0.000 0.826 32 L CB 2.271 44.481 42.059 0.252 0.000 1.268 32 L HN 0.002 nan 8.230 nan 0.000 0.407 33 A N 2.585 125.413 122.820 0.012 0.000 2.606 33 A HA 0.813 5.134 4.320 0.001 0.000 0.293 33 A C -1.363 176.197 177.584 -0.040 0.000 1.082 33 A CA -0.537 51.487 52.037 -0.022 0.000 0.685 33 A CB 1.919 20.892 19.000 -0.045 0.000 1.284 33 A HN 0.289 nan 8.150 nan 0.000 0.408 34 V N 2.271 122.162 119.914 -0.037 0.000 2.407 34 V HA 0.271 4.391 4.120 0.001 0.000 0.278 34 V C 0.764 176.837 176.094 -0.035 0.000 1.037 34 V CA -0.763 61.511 62.300 -0.042 0.000 0.900 34 V CB 1.277 33.079 31.823 -0.035 0.000 0.983 34 V HN 0.897 nan 8.190 nan 0.000 0.459 35 N N 3.224 121.902 118.700 -0.036 0.000 2.479 35 N HA 0.027 4.768 4.740 0.001 0.000 0.257 35 N C -0.987 174.510 175.510 -0.022 0.000 1.232 35 N CA -0.062 52.973 53.050 -0.025 0.000 0.920 35 N CB 0.678 39.148 38.487 -0.027 0.000 1.105 35 N HN 0.783 nan 8.380 nan 0.000 0.444 36 D N 3.317 123.707 120.400 -0.016 0.000 2.473 36 D HA 0.227 4.867 4.640 0.001 0.000 0.253 36 D C -2.028 174.265 176.300 -0.012 0.000 1.233 36 D CA -1.761 52.230 54.000 -0.015 0.000 0.908 36 D CB 1.718 42.509 40.800 -0.014 0.000 1.170 36 D HN 0.366 nan 8.370 nan 0.000 0.558 37 P HA -0.011 nan 4.420 nan 0.000 0.234 37 P C 1.025 178.318 177.300 -0.012 0.000 1.167 37 P CA 0.302 63.394 63.100 -0.013 0.000 0.763 37 P CB 0.335 32.026 31.700 -0.016 0.000 0.835 38 A N 0.106 122.919 122.820 -0.012 0.000 1.929 38 A HA 0.005 4.325 4.320 0.001 0.000 0.216 38 A C 1.267 178.844 177.584 -0.010 0.000 1.176 38 A CA 0.617 52.647 52.037 -0.011 0.000 0.628 38 A CB -1.145 17.848 19.000 -0.011 0.000 0.816 38 A HN 0.074 nan 8.150 nan 0.000 0.444 39 V N 0.405 120.313 119.914 -0.010 0.000 2.673 39 V HA 0.157 4.278 4.120 0.001 0.000 0.303 39 V C 1.626 177.716 176.094 -0.007 0.000 1.046 39 V CA 1.223 63.518 62.300 -0.008 0.000 1.126 39 V CB 1.060 32.878 31.823 -0.009 0.000 0.934 39 V HN 0.559 nan 8.190 nan 0.000 0.487 40 T N 2.602 117.152 114.554 -0.007 0.000 2.969 40 T HA 0.125 4.476 4.350 0.001 0.000 0.250 40 T C 0.650 175.348 174.700 -0.004 0.000 1.021 40 T CA 0.149 62.245 62.100 -0.008 0.000 1.003 40 T CB 0.166 69.027 68.868 -0.012 0.000 1.040 40 T HN 0.709 nan 8.240 nan 0.000 0.492 41 Q N 2.173 121.971 119.800 -0.002 0.000 2.466 41 Q HA 0.310 4.651 4.340 0.001 0.000 0.242 41 Q C 1.160 177.160 176.000 0.001 0.000 1.046 41 Q CA -0.302 55.502 55.803 0.001 0.000 0.841 41 Q CB 1.504 30.241 28.738 -0.001 0.000 1.193 41 Q HN 0.516 nan 8.270 nan 0.000 0.508 42 S N 2.072 117.779 115.700 0.013 0.000 2.440 42 S HA -0.209 4.262 4.470 0.001 0.000 0.238 42 S C 1.364 175.948 174.600 -0.028 0.000 1.010 42 S CA 0.954 59.160 58.200 0.010 0.000 0.972 42 S CB 0.009 63.247 63.200 0.064 0.000 0.774 42 S HN 0.485 nan 8.310 nan 0.000 0.501 43 K N 1.260 121.647 120.400 -0.022 0.000 2.280 43 K HA 0.031 4.351 4.320 0.001 0.000 0.202 43 K C 1.937 178.508 176.600 -0.048 0.000 1.047 43 K CA 0.977 57.238 56.287 -0.043 0.000 0.942 43 K CB -0.105 32.381 32.500 -0.024 0.000 0.739 43 K HN 0.459 nan 8.250 nan 0.000 0.457 44 K N -0.207 120.173 120.400 -0.033 0.000 2.442 44 K HA -0.125 4.195 4.320 0.001 0.000 0.198 44 K C 2.008 178.584 176.600 -0.040 0.000 1.044 44 K CA 0.962 57.231 56.287 -0.031 0.000 0.948 44 K CB 0.012 32.500 32.500 -0.020 0.000 0.762 44 K HN 0.268 nan 8.250 nan 0.000 0.472 45 C N -0.522 118.745 119.300 -0.055 0.000 3.276 45 C HA 0.445 4.906 4.460 0.001 0.000 0.512 45 C C 0.307 175.236 174.990 -0.102 0.000 1.376 45 C CA -0.422 58.559 59.018 -0.062 0.000 2.319 45 C CB 0.458 28.169 27.740 -0.048 0.000 3.330 45 C HN 0.294 nan 8.230 nan 0.000 0.596 46 I N 1.296 121.774 120.570 -0.153 0.000 2.841 46 I HA 0.520 4.690 4.170 0.001 0.000 0.298 46 I C -1.689 174.253 176.117 -0.291 0.000 1.304 46 I CA -0.764 60.386 61.300 -0.251 0.000 1.019 46 I CB 1.893 39.684 38.000 -0.347 0.000 1.282 46 I HN -0.034 nan 8.210 nan 0.000 0.432 47 I N 4.422 124.769 120.570 -0.372 0.000 2.607 47 I HA 0.624 4.795 4.170 0.001 0.000 0.305 47 I C 0.124 176.025 176.117 -0.359 0.000 0.995 47 I CA -0.209 60.876 61.300 -0.358 0.000 1.148 47 I CB 1.746 39.493 38.000 -0.421 0.000 1.323 47 I HN 0.715 nan 8.210 nan 0.000 0.461 48 S N 2.692 118.321 115.700 -0.119 0.000 2.656 48 S HA 0.480 4.950 4.470 0.001 0.000 0.273 48 S C -0.299 174.365 174.600 0.108 0.000 1.168 48 S CA -0.705 57.554 58.200 0.099 0.000 0.817 48 S CB 1.484 64.793 63.200 0.181 0.000 1.146 48 S HN 0.627 nan 8.310 nan 0.000 0.475 49 N N 0.370 119.150 118.700 0.133 0.000 2.740 49 N HA -0.137 4.603 4.740 0.001 0.000 0.248 49 N C -0.974 174.550 175.510 0.023 0.000 1.062 49 N CA 0.969 54.017 53.050 -0.003 0.000 0.704 49 N CB -0.912 37.372 38.487 -0.338 0.000 0.968 49 N HN 0.622 nan 8.380 nan 0.000 0.547 50 K N 0.538 121.007 120.400 0.115 0.000 2.258 50 K HA 0.340 4.661 4.320 0.001 0.000 0.236 50 K C 0.300 176.937 176.600 0.062 0.000 1.008 50 K CA -0.774 55.573 56.287 0.099 0.000 0.869 50 K CB 0.805 33.415 32.500 0.182 0.000 1.171 50 K HN 0.416 nan 8.250 nan 0.000 0.447 51 K N 0.122 120.545 120.400 0.038 0.000 2.469 51 K HA 0.115 4.436 4.320 0.001 0.000 0.274 51 K C -0.276 176.316 176.600 -0.012 0.000 0.983 51 K CA 0.090 56.388 56.287 0.018 0.000 0.974 51 K CB 0.264 32.773 32.500 0.015 0.000 0.913 51 K HN 0.252 nan 8.250 nan 0.000 0.493 52 S N 2.400 118.093 115.700 -0.011 0.000 2.565 52 S HA 0.031 4.502 4.470 0.001 0.000 0.276 52 S C -0.247 174.324 174.600 -0.048 0.000 1.326 52 S CA -0.836 57.341 58.200 -0.038 0.000 1.045 52 S CB 0.885 64.084 63.200 -0.002 0.000 0.918 52 S HN 0.489 nan 8.310 nan 0.000 0.505 53 Q N 2.397 122.146 119.800 -0.084 0.000 2.311 53 Q HA 0.210 4.551 4.340 0.001 0.000 0.272 53 Q C -2.237 173.726 176.000 -0.061 0.000 1.012 53 Q CA -1.560 54.191 55.803 -0.087 0.000 0.891 53 Q CB -0.306 28.345 28.738 -0.146 0.000 1.201 53 Q HN 0.369 nan 8.270 nan 0.000 0.391 54 P HA 0.075 nan 4.420 nan 0.000 0.268 54 P C 0.595 177.877 177.300 -0.030 0.000 1.205 54 P CA 0.450 63.533 63.100 -0.028 0.000 0.771 54 P CB 0.494 32.180 31.700 -0.023 0.000 0.858 55 G N 1.616 110.406 108.800 -0.015 0.000 2.159 55 G HA2 -0.257 3.704 3.960 0.001 0.000 0.256 55 G HA3 -0.257 3.704 3.960 0.001 0.000 0.256 55 G C 0.489 175.389 174.900 -0.000 0.000 0.977 55 G CA 0.120 45.215 45.100 -0.009 0.000 0.652 55 G HN 0.508 nan 8.290 nan 0.000 0.531 56 L N -0.550 120.672 121.223 -0.002 0.000 2.640 56 L HA 0.500 4.841 4.340 0.001 0.000 0.230 56 L C 1.591 178.489 176.870 0.047 0.000 1.123 56 L CA 0.396 55.249 54.840 0.021 0.000 0.900 56 L CB 0.174 42.219 42.059 -0.023 0.000 1.146 56 L HN 0.385 nan 8.230 nan 0.000 0.484 57 M N 1.140 120.763 119.600 0.038 0.000 2.353 57 M HA -0.180 4.301 4.480 0.001 0.000 0.202 57 M C 0.502 176.840 176.300 0.063 0.000 0.434 57 M CA 0.248 55.578 55.300 0.051 0.000 0.477 57 M CB -0.901 31.733 32.600 0.056 0.000 1.592 57 M HN 0.336 nan 8.290 nan 0.000 0.895 58 T N -0.340 114.249 114.554 0.058 0.000 2.908 58 T HA 0.154 4.504 4.350 0.001 0.000 0.325 58 T C 1.084 175.853 174.700 0.115 0.000 1.092 58 T CA 0.533 62.684 62.100 0.084 0.000 1.125 58 T CB 0.403 69.317 68.868 0.077 0.000 1.016 58 T HN 0.452 nan 8.240 nan 0.000 0.550 59 I N 2.130 122.805 120.570 0.175 0.000 3.603 59 I HA 0.151 4.322 4.170 0.001 0.000 0.297 59 I C 1.670 177.911 176.117 0.206 0.000 1.269 59 I CA 0.013 61.443 61.300 0.217 0.000 1.361 59 I CB -0.038 38.170 38.000 0.346 0.000 1.063 59 I HN 0.465 nan 8.210 nan 0.000 0.448 60 R N 1.118 121.740 120.500 0.203 0.000 2.694 60 R HA 0.264 4.605 4.340 0.001 0.000 0.268 60 R C 0.621 177.001 176.300 0.132 0.000 1.061 60 R CA 0.224 56.446 56.100 0.204 0.000 1.133 60 R CB 0.451 30.864 30.300 0.187 0.000 1.020 60 R HN 0.164 nan 8.270 nan 0.000 0.475 61 G N 0.204 109.072 108.800 0.113 0.000 2.736 61 G HA2 0.420 4.381 3.960 0.001 0.000 0.229 61 G HA3 0.420 4.381 3.960 0.001 0.000 0.229 61 G C -0.460 174.452 174.900 0.020 0.000 1.380 61 G CA -0.494 44.640 45.100 0.058 0.000 1.040 61 G HN 0.812 nan 8.290 nan 0.000 0.568 62 C N -3.366 115.937 119.300 0.004 0.000 2.871 62 C HA 0.830 5.291 4.460 0.001 0.000 0.351 62 C C 2.033 176.984 174.990 -0.066 0.000 1.338 62 C CA 0.125 59.134 59.018 -0.016 0.000 1.686 62 C CB 1.240 28.990 27.740 0.017 0.000 2.135 62 C HN 1.051 nan 8.230 nan 0.000 0.476 63 A N -0.324 122.445 122.820 -0.084 0.000 1.940 63 A HA -0.127 4.194 4.320 0.001 0.000 0.219 63 A C 1.901 179.444 177.584 -0.069 0.000 1.176 63 A CA 2.129 54.094 52.037 -0.121 0.000 0.631 63 A CB -1.148 17.765 19.000 -0.146 0.000 0.814 63 A HN 1.255 nan 8.150 nan 0.000 0.446 64 Y N 0.636 120.859 120.300 -0.129 0.000 2.181 64 Y HA -0.051 4.499 4.550 0.001 0.000 0.288 64 Y C 2.534 178.390 175.900 -0.074 0.000 1.146 64 Y CA 1.115 59.156 58.100 -0.098 0.000 1.164 64 Y CB -0.577 37.829 38.460 -0.090 0.000 0.982 64 Y HN 0.300 nan 8.280 nan 0.000 0.515 65 A N 0.526 123.355 122.820 0.015 0.000 1.883 65 A HA -0.138 4.183 4.320 0.001 0.000 0.217 65 A C 2.496 179.975 177.584 -0.175 0.000 1.186 65 A CA 1.885 53.874 52.037 -0.079 0.000 0.624 65 A CB -1.773 17.231 19.000 0.007 0.000 0.822 65 A HN 0.613 nan 8.150 nan 0.000 0.444 66 G N -1.324 107.359 108.800 -0.195 0.000 2.432 66 G HA2 -0.127 3.833 3.960 0.001 0.000 0.219 66 G HA3 -0.127 3.833 3.960 0.001 0.000 0.219 66 G C 1.866 176.730 174.900 -0.060 0.000 1.135 66 G CA 1.616 46.596 45.100 -0.200 0.000 0.767 66 G HN 0.591 nan 8.290 nan 0.000 0.550 67 S N -0.581 115.054 115.700 -0.109 0.000 2.370 67 S HA 0.046 4.516 4.470 0.001 0.000 0.214 67 S C 2.258 176.825 174.600 -0.055 0.000 1.033 67 S CA 1.322 59.517 58.200 -0.010 0.000 0.941 67 S CB -0.231 62.963 63.200 -0.011 0.000 0.886 67 S HN 0.189 nan 8.310 nan 0.000 0.521 68 K N 0.919 121.132 120.400 -0.313 0.000 2.001 68 K HA 0.010 4.331 4.320 0.001 0.000 0.208 68 K C 2.134 178.546 176.600 -0.312 0.000 1.048 68 K CA 1.781 57.826 56.287 -0.404 0.000 0.932 68 K CB -1.304 30.687 32.500 -0.849 0.000 0.715 68 K HN 0.434 nan 8.250 nan 0.000 0.437 69 G N 0.466 109.063 108.800 -0.338 0.000 2.408 69 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 69 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 69 G C 1.554 176.351 174.900 -0.172 0.000 1.150 69 G CA 0.902 45.886 45.100 -0.193 0.000 0.776 69 G HN 0.225 nan 8.290 nan 0.000 0.542 70 V N -0.492 119.300 119.914 -0.202 0.000 2.599 70 V HA 0.042 4.162 4.120 0.001 0.000 0.237 70 V C 2.735 178.605 176.094 -0.372 0.000 1.081 70 V CA 0.836 62.943 62.300 -0.322 0.000 1.107 70 V CB 0.293 31.952 31.823 -0.273 0.000 0.808 70 V HN 0.183 nan 8.190 nan 0.000 0.486 71 V N -1.549 118.241 119.914 -0.205 0.000 2.331 71 V HA -0.111 4.009 4.120 0.001 0.000 0.242 71 V C 1.974 177.929 176.094 -0.232 0.000 1.034 71 V CA 1.775 63.984 62.300 -0.151 0.000 1.027 71 V CB -0.482 31.255 31.823 -0.145 0.000 0.667 71 V HN 0.610 nan 8.190 nan 0.000 0.457 72 W N 0.613 121.779 121.300 -0.223 0.000 2.480 72 W HA 0.195 4.856 4.660 0.001 0.000 0.299 72 W C 2.560 178.674 176.519 -0.675 0.000 1.187 72 W CA 1.064 58.178 57.345 -0.385 0.000 1.347 72 W CB -0.980 28.230 29.460 -0.416 0.000 1.121 72 W HN 0.263 nan 8.180 nan 0.000 0.533 73 G N 1.073 109.661 108.800 -0.353 0.000 2.503 73 G HA2 -0.261 3.700 3.960 0.001 0.000 0.221 73 G HA3 -0.261 3.700 3.960 0.001 0.000 0.221 73 G C -0.951 173.871 174.900 -0.129 0.000 1.131 73 G CA 1.159 46.063 45.100 -0.327 0.000 0.756 73 G HN 0.164 nan 8.290 nan 0.000 0.572 74 P HA 0.074 nan 4.420 nan 0.000 0.226 74 P C 0.604 177.913 177.300 0.015 0.000 1.153 74 P CA 0.296 63.400 63.100 0.006 0.000 0.777 74 P CB 0.099 31.844 31.700 0.074 0.000 0.794 75 I N 1.426 122.017 120.570 0.035 0.000 2.581 75 I HA -0.056 4.115 4.170 0.001 0.000 0.285 75 I C 1.820 178.042 176.117 0.174 0.000 1.129 75 I CA 0.238 61.593 61.300 0.092 0.000 1.397 75 I CB 0.552 38.623 38.000 0.118 0.000 1.399 75 I HN 0.037 nan 8.210 nan 0.000 0.537 76 K N 4.296 124.731 120.400 0.057 0.000 2.243 76 K HA -0.069 4.252 4.320 0.001 0.000 0.201 76 K C 0.599 177.223 176.600 0.041 0.000 1.051 76 K CA 0.811 57.074 56.287 -0.040 0.000 0.970 76 K CB 0.070 32.522 32.500 -0.079 0.000 0.755 76 K HN 0.644 nan 8.250 nan 0.000 0.465 77 D N 0.530 120.993 120.400 0.105 0.000 2.368 77 D HA 0.103 4.743 4.640 0.001 0.000 0.218 77 D C 0.351 176.777 176.300 0.210 0.000 1.112 77 D CA -0.059 54.050 54.000 0.181 0.000 0.834 77 D CB 0.039 40.908 40.800 0.116 0.000 0.953 77 D HN 0.190 nan 8.370 nan 0.000 0.505 78 M N 0.219 119.866 119.600 0.078 0.000 2.598 78 M HA 0.435 4.916 4.480 0.001 0.000 0.317 78 M C -0.326 175.642 176.300 -0.553 0.000 1.201 78 M CA -0.905 54.269 55.300 -0.210 0.000 0.971 78 M CB 2.683 35.166 32.600 -0.195 0.000 1.657 78 M HN -0.254 nan 8.290 nan 0.000 0.470 79 I N 2.060 122.136 120.570 -0.824 0.000 2.321 79 I HA 0.226 4.397 4.170 0.001 0.000 0.291 79 I C -0.586 174.950 176.117 -0.969 0.000 0.998 79 I CA -0.626 60.016 61.300 -1.096 0.000 1.227 79 I CB 0.679 37.815 38.000 -1.440 0.000 1.368 79 I HN 0.498 nan 8.210 nan 0.000 0.466 80 H N 7.134 125.997 119.070 -0.345 0.000 2.541 80 H HA 0.385 4.942 4.556 0.001 0.000 0.316 80 H C -0.383 174.855 175.328 -0.151 0.000 1.043 80 H CA -0.713 55.209 56.048 -0.211 0.000 1.232 80 H CB 1.484 31.198 29.762 -0.080 0.000 1.406 80 H HN 0.273 nan 8.280 nan 0.000 0.469 81 I N 2.533 123.047 120.570 -0.093 0.000 2.325 81 I HA 0.034 4.205 4.170 0.001 0.000 0.291 81 I C 0.725 176.880 176.117 0.063 0.000 1.019 81 I CA -0.307 60.981 61.300 -0.019 0.000 1.302 81 I CB 0.848 38.781 38.000 -0.112 0.000 1.401 81 I HN 0.344 nan 8.210 nan 0.000 0.485 82 S N 5.899 121.681 115.700 0.136 0.000 2.416 82 S HA 0.092 4.563 4.470 0.001 0.000 0.302 82 S C -0.048 174.611 174.600 0.098 0.000 1.120 82 S CA -0.141 58.162 58.200 0.171 0.000 1.067 82 S CB -0.547 62.767 63.200 0.191 0.000 1.057 82 S HN 0.436 nan 8.310 nan 0.000 0.518 83 H N 2.408 121.431 119.070 -0.077 0.000 2.597 83 H HA 0.638 5.195 4.556 0.001 0.000 0.303 83 H C 0.470 175.532 175.328 -0.442 0.000 1.057 83 H CA 0.893 56.840 56.048 -0.169 0.000 1.261 83 H CB -0.032 29.657 29.762 -0.121 0.000 1.397 83 H HN 0.796 nan 8.280 nan 0.000 0.461 84 G N 4.212 112.474 108.800 -0.896 0.000 2.302 84 G HA2 -0.036 3.925 3.960 0.001 0.000 0.264 84 G HA3 -0.036 3.925 3.960 0.001 0.000 0.264 84 G C -2.976 171.605 174.900 -0.532 0.000 1.335 84 G CA -0.888 43.472 45.100 -1.233 0.000 0.982 84 G HN 0.493 nan 8.290 nan 0.000 0.473 85 P HA 0.346 nan 4.420 nan 0.000 0.273 85 P C 1.102 178.331 177.300 -0.119 0.000 1.250 85 P CA -0.178 62.863 63.100 -0.098 0.000 0.793 85 P CB 1.146 32.806 31.700 -0.067 0.000 1.011 86 V N 1.257 121.126 119.914 -0.075 0.000 2.970 86 V HA -0.088 4.033 4.120 0.001 0.000 0.260 86 V C 2.027 178.000 176.094 -0.201 0.000 1.100 86 V CA 2.548 64.785 62.300 -0.105 0.000 1.122 86 V CB -1.428 30.352 31.823 -0.071 0.000 0.721 86 V HN 0.746 nan 8.190 nan 0.000 0.483 87 G N -0.729 107.943 108.800 -0.213 0.000 2.421 87 G HA2 -0.265 3.696 3.960 0.001 0.000 0.216 87 G HA3 -0.265 3.696 3.960 0.001 0.000 0.216 87 G C 1.707 176.303 174.900 -0.507 0.000 1.171 87 G CA 1.312 46.172 45.100 -0.400 0.000 0.775 87 G HN 0.600 nan 8.290 nan 0.000 0.543 88 C N 0.950 120.088 119.300 -0.270 0.000 2.429 88 C HA 0.119 4.580 4.460 0.001 0.000 0.277 88 C C 3.192 178.129 174.990 -0.087 0.000 1.262 88 C CA 0.462 59.342 59.018 -0.230 0.000 1.733 88 C CB -1.244 26.067 27.740 -0.715 0.000 2.010 88 C HN 0.464 nan 8.230 nan 0.000 0.483 89 G N -0.322 108.424 108.800 -0.090 0.000 2.448 89 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 89 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 89 G C 1.594 176.473 174.900 -0.034 0.000 1.135 89 G CA 0.937 46.067 45.100 0.051 0.000 0.784 89 G HN 0.568 nan 8.290 nan 0.000 0.543 90 Q N -0.246 119.431 119.800 -0.205 0.000 2.049 90 Q HA -0.057 4.284 4.340 0.001 0.000 0.198 90 Q C 2.175 178.087 176.000 -0.148 0.000 0.971 90 Q CA 1.298 56.961 55.803 -0.234 0.000 0.833 90 Q CB -0.384 28.127 28.738 -0.378 0.000 0.896 90 Q HN 0.554 nan 8.270 nan 0.000 0.434 91 Y N -0.050 120.275 120.300 0.042 0.000 2.293 91 Y HA -0.061 4.490 4.550 0.001 0.000 0.291 91 Y C 2.411 178.353 175.900 0.070 0.000 1.137 91 Y CA 1.168 59.297 58.100 0.049 0.000 1.202 91 Y CB -0.734 37.748 38.460 0.038 0.000 0.990 91 Y HN 0.278 nan 8.280 nan 0.000 0.537 92 S N -0.132 115.688 115.700 0.199 0.000 2.575 92 S HA 0.044 4.514 4.470 0.001 0.000 0.215 92 S C 0.925 175.596 174.600 0.119 0.000 0.966 92 S CA -0.551 57.749 58.200 0.167 0.000 0.911 92 S CB -0.285 63.039 63.200 0.206 0.000 0.780 92 S HN 0.294 nan 8.310 nan 0.000 0.514 93 R N 1.622 122.180 120.500 0.097 0.000 2.351 93 R HA 0.395 4.735 4.340 0.001 0.000 0.318 93 R C 0.697 177.053 176.300 0.092 0.000 1.055 93 R CA 0.720 56.868 56.100 0.080 0.000 0.968 93 R CB -0.355 29.973 30.300 0.046 0.000 0.974 93 R HN 0.473 nan 8.270 nan 0.000 0.439 94 A N 3.089 125.971 122.820 0.104 0.000 2.826 94 A HA -0.202 4.118 4.320 0.001 0.000 0.274 94 A C 1.161 178.822 177.584 0.128 0.000 1.443 94 A CA 1.177 53.288 52.037 0.124 0.000 0.833 94 A CB -2.061 17.011 19.000 0.121 0.000 1.023 94 A HN 0.973 nan 8.150 nan 0.000 0.600 95 G N -1.184 107.686 108.800 0.117 0.000 2.494 95 G HA2 0.234 4.195 3.960 0.001 0.000 0.216 95 G HA3 0.234 4.195 3.960 0.001 0.000 0.216 95 G C 0.673 175.639 174.900 0.109 0.000 1.140 95 G CA 0.821 45.993 45.100 0.120 0.000 0.801 95 G HN 0.810 nan 8.290 nan 0.000 0.536 96 R N 0.353 120.905 120.500 0.087 0.000 2.393 96 R HA 0.428 4.768 4.340 0.001 0.000 0.310 96 R C -0.097 176.257 176.300 0.089 0.000 0.968 96 R CA -0.702 55.429 56.100 0.051 0.000 0.867 96 R CB 0.716 31.021 30.300 0.009 0.000 1.124 96 R HN -0.016 nan 8.270 nan 0.000 0.450 97 R N 3.224 123.750 120.500 0.044 0.000 4.609 97 R HA 0.066 4.407 4.340 0.001 0.000 0.235 97 R C -0.296 176.019 176.300 0.025 0.000 1.836 97 R CA -0.105 56.044 56.100 0.081 0.000 1.564 97 R CB -0.388 29.867 30.300 -0.075 0.000 1.382 97 R HN 0.596 nan 8.270 nan 0.000 0.776 98 N N 1.018 119.801 118.700 0.138 0.000 2.671 98 N HA -0.028 4.713 4.740 0.001 0.000 0.274 98 N C -0.682 175.008 175.510 0.299 0.000 1.188 98 N CA -0.151 52.980 53.050 0.134 0.000 1.065 98 N CB 0.331 38.884 38.487 0.110 0.000 1.415 98 N HN 0.039 nan 8.380 nan 0.000 0.511 99 Y N 2.063 122.335 120.300 -0.046 0.000 2.457 99 Y HA 0.088 4.639 4.550 0.001 0.000 0.341 99 Y C 0.393 176.319 175.900 0.044 0.000 1.240 99 Y CA -0.804 57.266 58.100 -0.050 0.000 1.437 99 Y CB 0.127 38.433 38.460 -0.257 0.000 1.328 99 Y HN 0.480 nan 8.280 nan 0.000 0.588 100 Y N -0.352 120.064 120.300 0.193 0.000 2.609 100 Y HA 0.655 5.206 4.550 0.001 0.000 0.336 100 Y C -1.790 174.328 175.900 0.364 0.000 1.129 100 Y CA -1.951 56.332 58.100 0.305 0.000 1.040 100 Y CB 0.751 39.312 38.460 0.168 0.000 1.310 100 Y HN 0.207 nan 8.280 nan 0.000 0.460 101 I N 2.635 123.436 120.570 0.384 0.000 2.321 101 I HA 0.817 4.988 4.170 0.001 0.000 0.291 101 I C 0.430 176.669 176.117 0.203 0.000 0.998 101 I CA -0.251 61.129 61.300 0.132 0.000 1.227 101 I CB 0.553 38.587 38.000 0.055 0.000 1.368 101 I HN 0.998 nan 8.210 nan 0.000 0.466 102 G N 4.202 113.074 108.800 0.121 0.000 2.430 102 G HA2 0.391 4.352 3.960 0.001 0.000 0.300 102 G HA3 0.391 4.352 3.960 0.001 0.000 0.300 102 G C -1.480 173.463 174.900 0.072 0.000 1.330 102 G CA -0.459 44.728 45.100 0.145 0.000 0.813 102 G HN 0.320 nan 8.290 nan 0.000 0.487 103 T N 1.788 116.362 114.554 0.032 0.000 2.947 103 T HA 0.510 4.861 4.350 0.001 0.000 0.337 103 T C 0.179 174.866 174.700 -0.021 0.000 1.139 103 T CA -0.134 61.970 62.100 0.008 0.000 0.992 103 T CB 0.716 69.585 68.868 0.002 0.000 1.043 103 T HN 0.542 nan 8.240 nan 0.000 0.498 104 T N 2.598 117.174 114.554 0.036 0.000 2.888 104 T HA 0.418 4.769 4.350 0.001 0.000 0.301 104 T C 1.530 176.258 174.700 0.047 0.000 1.001 104 T CA 0.826 62.948 62.100 0.037 0.000 1.147 104 T CB 0.585 69.535 68.868 0.137 0.000 0.931 104 T HN 0.923 nan 8.240 nan 0.000 0.541 105 G N 1.895 110.734 108.800 0.065 0.000 2.217 105 G HA2 -0.271 3.689 3.960 0.001 0.000 0.246 105 G HA3 -0.271 3.689 3.960 0.001 0.000 0.246 105 G C 0.632 175.775 174.900 0.405 0.000 0.990 105 G CA 0.284 45.589 45.100 0.343 0.000 0.627 105 G HN 0.632 nan 8.290 nan 0.000 0.522 106 V N 0.789 120.766 119.914 0.105 0.000 3.097 106 V HA 0.224 4.344 4.120 0.001 0.000 0.223 106 V C 1.866 177.995 176.094 0.059 0.000 1.199 106 V CA 1.559 63.941 62.300 0.138 0.000 1.260 106 V CB 0.124 31.991 31.823 0.074 0.000 1.155 106 V HN 0.568 nan 8.190 nan 0.000 0.509 107 N N 0.743 119.334 118.700 -0.181 0.000 2.159 107 N HA 0.321 5.061 4.740 0.001 0.000 0.217 107 N C -0.113 175.078 175.510 -0.532 0.000 1.223 107 N CA 0.706 53.655 53.050 -0.169 0.000 0.896 107 N CB 1.701 40.175 38.487 -0.023 0.000 1.064 107 N HN 0.444 nan 8.380 nan 0.000 0.518 108 A N -0.011 122.223 122.820 -0.976 0.000 2.498 108 A HA 0.720 5.041 4.320 0.001 0.000 0.298 108 A C -1.475 175.445 177.584 -1.106 0.000 1.075 108 A CA -0.575 50.975 52.037 -0.812 0.000 0.714 108 A CB 0.668 19.556 19.000 -0.188 0.000 1.299 108 A HN 0.099 nan 8.150 nan 0.000 0.407 109 F N 1.162 121.081 119.950 -0.052 0.000 2.901 109 F HA 0.167 4.695 4.527 0.001 0.000 0.329 109 F C 1.293 177.099 175.800 0.010 0.000 1.185 109 F CA -0.082 57.936 58.000 0.031 0.000 1.114 109 F CB 0.381 39.401 39.000 0.034 0.000 1.199 109 F HN 0.317 nan 8.300 nan 0.000 0.513 110 V N 0.168 120.009 119.914 -0.122 0.000 2.343 110 V HA -0.246 3.874 4.120 0.001 0.000 0.247 110 V C 2.302 178.440 176.094 0.074 0.000 1.051 110 V CA 2.701 64.931 62.300 -0.116 0.000 1.036 110 V CB -0.897 30.592 31.823 -0.556 0.000 0.654 110 V HN 0.567 nan 8.190 nan 0.000 0.451 111 T N -3.033 111.602 114.554 0.135 0.000 3.107 111 T HA 0.303 4.654 4.350 0.001 0.000 0.249 111 T C 0.488 175.248 174.700 0.101 0.000 1.096 111 T CA 0.034 62.227 62.100 0.155 0.000 1.012 111 T CB -0.244 68.745 68.868 0.201 0.000 0.977 111 T HN 0.275 nan 8.240 nan 0.000 0.527 112 M N 2.378 122.034 119.600 0.093 0.000 2.288 112 M HA 0.378 4.859 4.480 0.001 0.000 0.334 112 M C 0.066 176.340 176.300 -0.045 0.000 1.150 112 M CA -0.664 54.614 55.300 -0.037 0.000 1.118 112 M CB 0.587 33.093 32.600 -0.158 0.000 1.501 112 M HN -0.038 nan 8.290 nan 0.000 0.462 113 N N 2.037 120.633 118.700 -0.174 0.000 2.621 113 N HA 0.349 5.089 4.740 0.001 0.000 0.237 113 N C -1.990 173.405 175.510 -0.193 0.000 0.997 113 N CA -0.238 52.759 53.050 -0.089 0.000 0.918 113 N CB 0.218 38.677 38.487 -0.047 0.000 1.122 113 N HN 0.364 nan 8.380 nan 0.000 0.510 114 F N 1.243 121.169 119.950 -0.040 0.000 2.404 114 F HA 0.475 5.003 4.527 0.001 0.000 0.345 114 F C 1.305 177.093 175.800 -0.020 0.000 1.110 114 F CA -0.254 57.709 58.000 -0.063 0.000 1.130 114 F CB 1.786 40.700 39.000 -0.143 0.000 1.129 114 F HN 0.199 nan 8.300 nan 0.000 0.500 115 T N -0.085 114.559 114.554 0.150 0.000 2.868 115 T HA 0.307 4.657 4.350 0.001 0.000 0.306 115 T C 0.399 175.184 174.700 0.142 0.000 1.224 115 T CA -0.309 61.861 62.100 0.117 0.000 1.012 115 T CB 1.288 70.188 68.868 0.053 0.000 1.221 115 T HN 0.576 nan 8.240 nan 0.000 0.499 116 S N 1.713 117.530 115.700 0.195 0.000 2.593 116 S HA 0.149 4.619 4.470 0.001 0.000 0.217 116 S C 0.592 175.356 174.600 0.275 0.000 0.966 116 S CA 0.780 59.148 58.200 0.281 0.000 0.914 116 S CB -0.481 63.039 63.200 0.534 0.000 0.776 116 S HN 0.933 nan 8.310 nan 0.000 0.523 117 D N 0.948 121.453 120.400 0.175 0.000 2.810 117 D HA -0.194 4.446 4.640 0.001 0.000 0.224 117 D C -1.039 175.391 176.300 0.217 0.000 1.222 117 D CA 0.306 54.387 54.000 0.135 0.000 0.698 117 D CB -1.903 38.944 40.800 0.079 0.000 0.961 117 D HN 0.298 nan 8.370 nan 0.000 0.403 118 F N 0.982 120.908 119.950 -0.040 0.000 2.572 118 F HA 0.185 4.713 4.527 0.001 0.000 0.370 118 F C 1.542 177.322 175.800 -0.034 0.000 1.103 118 F CA 0.147 58.120 58.000 -0.045 0.000 1.286 118 F CB 0.524 39.474 39.000 -0.084 0.000 1.105 118 F HN 0.131 nan 8.300 nan 0.000 0.583 119 Q N 1.666 121.503 119.800 0.061 0.000 2.385 119 Q HA 0.173 4.514 4.340 0.001 0.000 0.262 119 Q C 1.239 177.234 176.000 -0.008 0.000 1.050 119 Q CA -0.633 55.183 55.803 0.021 0.000 0.903 119 Q CB 0.767 29.505 28.738 -0.001 0.000 1.325 119 Q HN 0.703 nan 8.270 nan 0.000 0.485 120 E N 1.021 121.217 120.200 -0.006 0.000 2.097 120 E HA -0.245 4.106 4.350 0.001 0.000 0.196 120 E C 1.473 178.045 176.600 -0.047 0.000 1.000 120 E CA 2.129 58.515 56.400 -0.023 0.000 0.804 120 E CB 0.158 29.848 29.700 -0.015 0.000 0.740 120 E HN 0.535 nan 8.360 nan 0.000 0.454 121 K N -0.088 120.302 120.400 -0.018 0.000 2.209 121 K HA -0.158 4.162 4.320 0.001 0.000 0.204 121 K C 1.295 177.879 176.600 -0.026 0.000 1.048 121 K CA 1.628 57.941 56.287 0.044 0.000 0.940 121 K CB 0.028 32.587 32.500 0.099 0.000 0.729 121 K HN 0.087 nan 8.250 nan 0.000 0.451 122 D N 1.366 121.665 120.400 -0.169 0.000 2.149 122 D HA -0.057 4.583 4.640 0.001 0.000 0.201 122 D C 2.058 178.188 176.300 -0.282 0.000 0.972 122 D CA 0.758 54.521 54.000 -0.394 0.000 0.835 122 D CB 0.038 40.292 40.800 -0.909 0.000 0.966 122 D HN 0.189 nan 8.370 nan 0.000 0.476 123 I N 0.961 121.457 120.570 -0.122 0.000 2.252 123 I HA -0.163 4.008 4.170 0.001 0.000 0.245 123 I C 2.489 178.527 176.117 -0.131 0.000 1.102 123 I CA 0.708 61.994 61.300 -0.023 0.000 1.385 123 I CB -0.837 37.166 38.000 0.004 0.000 1.064 123 I HN -0.099 nan 8.210 nan 0.000 0.414 124 V N -0.070 119.689 119.914 -0.257 0.000 2.379 124 V HA -0.180 3.941 4.120 0.001 0.000 0.245 124 V C 1.830 177.508 176.094 -0.693 0.000 1.044 124 V CA 1.616 63.593 62.300 -0.540 0.000 1.036 124 V CB -0.506 30.857 31.823 -0.767 0.000 0.664 124 V HN 0.194 nan 8.190 nan 0.000 0.453 125 F N -0.092 119.828 119.950 -0.051 0.000 2.682 125 F HA 0.616 5.144 4.527 0.001 0.000 0.308 125 F C 1.133 176.901 175.800 -0.052 0.000 1.093 125 F CA 0.165 58.136 58.000 -0.048 0.000 1.244 125 F CB 0.183 39.152 39.000 -0.051 0.000 1.052 125 F HN 0.225 nan 8.300 nan 0.000 0.573 126 G N -0.019 108.799 108.800 0.029 0.000 2.629 126 G HA2 0.164 4.125 3.960 0.001 0.000 0.686 126 G HA3 0.164 4.125 3.960 0.001 0.000 0.686 126 G C 0.508 175.365 174.900 -0.072 0.000 1.232 126 G CA -0.583 44.525 45.100 0.014 0.000 0.803 126 G HN 0.479 nan 8.290 nan 0.000 0.638 127 G N -0.874 107.904 108.800 -0.035 0.000 3.277 127 G HA2 0.398 4.359 3.960 0.001 0.000 0.243 127 G HA3 0.398 4.359 3.960 0.001 0.000 0.243 127 G C 0.779 175.756 174.900 0.128 0.000 1.107 127 G CA 1.242 46.291 45.100 -0.085 0.000 0.771 127 G HN 0.584 nan 8.290 nan 0.000 0.544 128 D N 1.208 121.672 120.400 0.107 0.000 2.149 128 D HA -0.025 4.616 4.640 0.001 0.000 0.201 128 D C 2.276 178.601 176.300 0.041 0.000 0.972 128 D CA 0.746 54.801 54.000 0.092 0.000 0.835 128 D CB 0.165 41.005 40.800 0.067 0.000 0.966 128 D HN 0.247 nan 8.370 nan 0.000 0.476 129 K N 0.650 121.062 120.400 0.020 0.000 2.057 129 K HA -0.124 4.196 4.320 0.001 0.000 0.207 129 K C 2.058 178.658 176.600 0.001 0.000 1.049 129 K CA 0.809 57.097 56.287 0.002 0.000 0.931 129 K CB 0.037 32.532 32.500 -0.008 0.000 0.714 129 K HN 0.003 nan 8.250 nan 0.000 0.440 130 K N 1.005 121.407 120.400 0.003 0.000 2.057 130 K HA -0.166 4.155 4.320 0.001 0.000 0.207 130 K C 2.135 178.762 176.600 0.045 0.000 1.049 130 K CA 0.958 57.254 56.287 0.015 0.000 0.931 130 K CB -0.082 32.407 32.500 -0.019 0.000 0.714 130 K HN -0.012 nan 8.250 nan 0.000 0.440 131 L N 0.969 122.232 121.223 0.067 0.000 2.046 131 L HA -0.111 4.230 4.340 0.001 0.000 0.208 131 L C 2.174 179.011 176.870 -0.055 0.000 1.077 131 L CA 2.095 56.925 54.840 -0.017 0.000 0.747 131 L CB -0.732 41.262 42.059 -0.107 0.000 0.896 131 L HN 0.223 nan 8.230 nan 0.000 0.432 132 A N -0.735 122.064 122.820 -0.034 0.000 1.902 132 A HA -0.247 4.074 4.320 0.001 0.000 0.217 132 A C 2.351 179.917 177.584 -0.029 0.000 1.181 132 A CA 1.927 53.941 52.037 -0.039 0.000 0.623 132 A CB -0.588 18.397 19.000 -0.025 0.000 0.818 132 A HN 0.413 nan 8.150 nan 0.000 0.443 133 K N 0.049 120.440 120.400 -0.014 0.000 2.097 133 K HA -0.006 4.314 4.320 0.001 0.000 0.205 133 K C 1.824 178.423 176.600 -0.002 0.000 1.050 133 K CA 1.411 57.694 56.287 -0.007 0.000 0.938 133 K CB -0.624 31.876 32.500 -0.001 0.000 0.718 133 K HN 0.453 nan 8.250 nan 0.000 0.442 134 L N 0.130 121.354 121.223 0.001 0.000 2.042 134 L HA -0.128 4.213 4.340 0.001 0.000 0.210 134 L C 2.054 178.913 176.870 -0.018 0.000 1.076 134 L CA 1.472 56.318 54.840 0.010 0.000 0.749 134 L CB -0.197 41.874 42.059 0.021 0.000 0.893 134 L HN 0.214 nan 8.230 nan 0.000 0.432 135 I N 0.042 120.580 120.570 -0.054 0.000 2.286 135 I HA -0.293 3.878 4.170 0.001 0.000 0.248 135 I C 1.982 178.070 176.117 -0.048 0.000 1.115 135 I CA 1.263 62.516 61.300 -0.079 0.000 1.392 135 I CB -0.437 37.503 38.000 -0.101 0.000 1.065 135 I HN 0.320 nan 8.210 nan 0.000 0.418 136 D N 0.709 121.092 120.400 -0.029 0.000 2.144 136 D HA -0.171 4.469 4.640 0.001 0.000 0.199 136 D C 2.107 178.408 176.300 0.002 0.000 0.984 136 D CA 1.171 55.162 54.000 -0.016 0.000 0.834 136 D CB -0.164 40.629 40.800 -0.012 0.000 0.955 136 D HN 0.415 nan 8.370 nan 0.000 0.465 137 E N 0.144 120.355 120.200 0.017 0.000 2.072 137 E HA -0.096 4.254 4.350 0.001 0.000 0.191 137 E C 2.289 178.942 176.600 0.087 0.000 0.985 137 E CA 0.475 56.902 56.400 0.045 0.000 0.801 137 E CB 0.131 29.868 29.700 0.061 0.000 0.750 137 E HN 0.067 nan 8.360 nan 0.000 0.452 138 V N 1.883 121.851 119.914 0.090 0.000 2.287 138 V HA -0.247 3.873 4.120 0.001 0.000 0.248 138 V C 2.257 178.415 176.094 0.106 0.000 1.053 138 V CA 1.736 64.122 62.300 0.143 0.000 1.027 138 V CB -0.409 31.374 31.823 -0.067 0.000 0.646 138 V HN 0.212 nan 8.190 nan 0.000 0.447 139 E N -0.000 120.210 120.200 0.018 0.000 2.110 139 E HA -0.172 4.179 4.350 0.001 0.000 0.193 139 E C 2.338 178.943 176.600 0.007 0.000 0.988 139 E CA 1.817 58.218 56.400 0.003 0.000 0.804 139 E CB -0.502 29.187 29.700 -0.019 0.000 0.745 139 E HN 0.609 nan 8.360 nan 0.000 0.458 140 T N 1.347 115.901 114.554 -0.000 0.000 2.737 140 T HA -0.060 4.290 4.350 0.001 0.000 0.265 140 T C 2.036 176.688 174.700 -0.080 0.000 1.038 140 T CA 0.835 62.919 62.100 -0.027 0.000 1.144 140 T CB -0.083 68.771 68.868 -0.024 0.000 0.866 140 T HN 0.089 nan 8.240 nan 0.000 0.434 141 L N -0.945 120.200 121.223 -0.130 0.000 2.375 141 L HA 0.253 4.594 4.340 0.001 0.000 0.215 141 L C 0.010 176.400 176.870 -0.801 0.000 1.108 141 L CA 0.566 55.142 54.840 -0.441 0.000 0.830 141 L CB 0.207 41.989 42.059 -0.461 0.000 0.959 141 L HN 0.184 nan 8.230 nan 0.000 0.457 142 F N -0.494 119.476 119.950 0.034 0.000 2.564 142 F HA 0.308 4.836 4.527 0.001 0.000 0.329 142 F C -1.663 174.146 175.800 0.014 0.000 1.458 142 F CA -1.768 56.263 58.000 0.051 0.000 1.117 142 F CB 0.307 39.274 39.000 -0.056 0.000 1.383 142 F HN -0.168 nan 8.300 nan 0.000 0.571 143 P HA -0.101 nan 4.420 nan 0.000 0.223 143 P C 1.187 178.548 177.300 0.103 0.000 1.151 143 P CA 1.212 64.355 63.100 0.072 0.000 0.787 143 P CB 0.438 32.160 31.700 0.037 0.000 0.788 144 L N -0.336 120.994 121.223 0.177 0.000 2.599 144 L HA 0.039 4.380 4.340 0.001 0.000 0.230 144 L C 0.949 177.966 176.870 0.245 0.000 1.141 144 L CA -0.298 54.658 54.840 0.193 0.000 0.877 144 L CB -1.316 40.858 42.059 0.193 0.000 1.009 144 L HN 0.071 nan 8.230 nan 0.000 0.447 145 N N 0.119 118.934 118.700 0.192 0.000 2.479 145 N HA -0.021 4.720 4.740 0.001 0.000 0.257 145 N C 0.405 175.934 175.510 0.031 0.000 1.232 145 N CA -0.066 53.020 53.050 0.060 0.000 0.920 145 N CB 0.550 38.820 38.487 -0.362 0.000 1.105 145 N HN -0.120 nan 8.380 nan 0.000 0.444 146 K N 0.430 120.850 120.400 0.033 0.000 2.455 146 K HA 0.335 4.656 4.320 0.001 0.000 0.206 146 K C 0.049 176.636 176.600 -0.021 0.000 1.027 146 K CA -0.197 56.103 56.287 0.021 0.000 1.113 146 K CB 0.336 32.866 32.500 0.049 0.000 0.850 146 K HN 0.840 nan 8.250 nan 0.000 0.503 147 G N 0.694 109.441 108.800 -0.088 0.000 2.350 147 G HA2 0.236 4.197 3.960 0.001 0.000 0.305 147 G HA3 0.236 4.197 3.960 0.001 0.000 0.305 147 G C -1.688 173.074 174.900 -0.229 0.000 1.479 147 G CA -1.013 44.020 45.100 -0.111 0.000 0.949 147 G HN 0.017 nan 8.290 nan 0.000 0.651 148 I N 0.955 121.377 120.570 -0.248 0.000 2.545 148 I HA 0.615 4.786 4.170 0.001 0.000 0.292 148 I C 0.358 176.268 176.117 -0.344 0.000 1.040 148 I CA -0.948 60.142 61.300 -0.349 0.000 1.068 148 I CB 2.425 40.228 38.000 -0.329 0.000 1.251 148 I HN 0.741 nan 8.210 nan 0.000 0.424 149 S N 4.788 120.263 115.700 -0.375 0.000 2.532 149 S HA 0.763 5.233 4.470 0.001 0.000 0.301 149 S C -0.852 173.518 174.600 -0.383 0.000 1.083 149 S CA -0.660 57.265 58.200 -0.458 0.000 1.025 149 S CB 2.083 64.930 63.200 -0.589 0.000 1.056 149 S HN 0.291 nan 8.310 nan 0.000 0.494 150 V N 3.399 123.058 119.914 -0.425 0.000 2.326 150 V HA 0.399 4.519 4.120 0.001 0.000 0.281 150 V C -0.633 175.306 176.094 -0.258 0.000 1.015 150 V CA -0.580 61.529 62.300 -0.319 0.000 0.823 150 V CB 1.081 32.686 31.823 -0.362 0.000 1.009 150 V HN 0.872 nan 8.190 nan 0.000 0.436 151 Q N 2.778 122.496 119.800 -0.137 0.000 2.390 151 Q HA 0.388 4.728 4.340 0.001 0.000 0.249 151 Q C -0.015 176.025 176.000 0.067 0.000 0.996 151 Q CA -0.134 55.627 55.803 -0.069 0.000 0.899 151 Q CB 1.627 30.340 28.738 -0.041 0.000 1.216 151 Q HN 0.658 nan 8.270 nan 0.000 0.465 152 S N 2.708 118.418 115.700 0.015 0.000 2.510 152 S HA 0.124 4.595 4.470 0.001 0.000 0.279 152 S C 0.314 174.898 174.600 -0.026 0.000 1.284 152 S CA -0.251 57.947 58.200 -0.003 0.000 1.059 152 S CB 0.818 63.995 63.200 -0.037 0.000 0.901 152 S HN 0.382 nan 8.310 nan 0.000 0.491 153 E N 1.035 121.144 120.200 -0.151 0.000 2.292 153 E HA 0.211 4.562 4.350 0.001 0.000 0.258 153 E C 0.873 177.369 176.600 -0.173 0.000 1.115 153 E CA -0.850 55.406 56.400 -0.241 0.000 0.929 153 E CB 0.427 29.897 29.700 -0.384 0.000 1.161 153 E HN 0.604 nan 8.360 nan 0.000 0.453 154 C N 1.165 120.397 119.300 -0.113 0.000 2.353 154 C HA -0.167 4.293 4.460 0.001 0.000 0.272 154 C C -0.440 174.619 174.990 0.114 0.000 1.165 154 C CA 1.039 60.108 59.018 0.084 0.000 1.786 154 C CB -1.670 26.143 27.740 0.122 0.000 2.071 154 C HN 0.703 nan 8.230 nan 0.000 0.451 155 P HA -0.033 nan 4.420 nan 0.000 0.223 155 P C 1.508 178.806 177.300 -0.004 0.000 1.151 155 P CA 0.951 64.036 63.100 -0.025 0.000 0.787 155 P CB -0.204 31.450 31.700 -0.078 0.000 0.788 156 I N -0.122 120.408 120.570 -0.067 0.000 2.091 156 I HA -0.175 3.995 4.170 0.001 0.000 0.239 156 I C 2.392 178.549 176.117 0.067 0.000 1.061 156 I CA 2.335 63.618 61.300 -0.029 0.000 1.317 156 I CB -2.156 35.802 38.000 -0.071 0.000 1.031 156 I HN 0.035 nan 8.210 nan 0.000 0.401 157 G N 0.455 109.329 108.800 0.124 0.000 2.448 157 G HA2 -0.080 3.881 3.960 0.001 0.000 0.218 157 G HA3 -0.080 3.881 3.960 0.001 0.000 0.218 157 G C 1.834 176.805 174.900 0.117 0.000 1.135 157 G CA 0.106 45.298 45.100 0.155 0.000 0.784 157 G HN 0.333 nan 8.290 nan 0.000 0.543 158 L N 0.760 122.036 121.223 0.088 0.000 2.131 158 L HA -0.003 4.338 4.340 0.001 0.000 0.210 158 L C 2.604 179.461 176.870 -0.021 0.000 1.092 158 L CA 1.021 55.835 54.840 -0.043 0.000 0.759 158 L CB -0.352 41.641 42.059 -0.110 0.000 0.903 158 L HN 0.434 nan 8.230 nan 0.000 0.435 159 I N -3.717 116.862 120.570 0.015 0.000 3.883 159 I HA 0.364 4.534 4.170 0.001 0.000 0.326 159 I C 1.203 177.337 176.117 0.028 0.000 1.283 159 I CA 0.522 61.831 61.300 0.015 0.000 1.161 159 I CB -0.021 37.999 38.000 0.034 0.000 1.012 159 I HN 0.212 nan 8.210 nan 0.000 0.421 160 G N 1.729 110.552 108.800 0.039 0.000 2.160 160 G HA2 -0.233 3.728 3.960 0.001 0.000 0.244 160 G HA3 -0.233 3.728 3.960 0.001 0.000 0.244 160 G C -0.367 174.567 174.900 0.057 0.000 1.022 160 G CA 0.219 45.344 45.100 0.042 0.000 0.741 160 G HN 0.503 nan 8.290 nan 0.000 0.508 161 D N 0.072 120.518 120.400 0.077 0.000 2.368 161 D HA 0.434 5.075 4.640 0.001 0.000 0.240 161 D C 0.174 176.520 176.300 0.077 0.000 1.169 161 D CA 0.128 54.185 54.000 0.095 0.000 0.906 161 D CB 0.848 41.738 40.800 0.151 0.000 1.187 161 D HN 0.124 nan 8.370 nan 0.000 0.435 162 D N 0.850 121.293 120.400 0.071 0.000 2.456 162 D HA 0.118 4.759 4.640 0.001 0.000 0.287 162 D C 1.069 177.390 176.300 0.036 0.000 1.186 162 D CA -0.436 53.594 54.000 0.051 0.000 0.916 162 D CB -0.171 40.656 40.800 0.044 0.000 1.029 162 D HN 0.409 nan 8.370 nan 0.000 0.498 163 I N -0.963 119.622 120.570 0.024 0.000 2.928 163 I HA 0.022 4.192 4.170 0.001 0.000 0.266 163 I C 1.177 177.240 176.117 -0.089 0.000 1.234 163 I CA 0.519 61.798 61.300 -0.036 0.000 1.483 163 I CB 0.216 38.186 38.000 -0.050 0.000 1.097 163 I HN -0.056 nan 8.210 nan 0.000 0.455 164 E N 1.480 121.657 120.200 -0.038 0.000 2.047 164 E HA -0.184 4.167 4.350 0.001 0.000 0.191 164 E C 2.404 179.025 176.600 0.036 0.000 0.987 164 E CA 1.671 58.069 56.400 -0.003 0.000 0.799 164 E CB -0.315 29.453 29.700 0.113 0.000 0.752 164 E HN 0.534 nan 8.360 nan 0.000 0.449 165 S N -0.161 115.563 115.700 0.039 0.000 2.359 165 S HA -0.162 4.308 4.470 0.001 0.000 0.224 165 S C 2.061 176.668 174.600 0.012 0.000 1.035 165 S CA 1.354 59.578 58.200 0.041 0.000 1.018 165 S CB -0.327 62.894 63.200 0.035 0.000 0.876 165 S HN 0.109 nan 8.310 nan 0.000 0.448 166 V N 1.469 121.372 119.914 -0.019 0.000 2.343 166 V HA -0.122 3.999 4.120 0.001 0.000 0.247 166 V C 2.710 178.760 176.094 -0.074 0.000 1.051 166 V CA 2.183 64.457 62.300 -0.045 0.000 1.036 166 V CB -1.039 30.745 31.823 -0.064 0.000 0.654 166 V HN 0.506 nan 8.190 nan 0.000 0.451 167 S N -0.652 114.974 115.700 -0.123 0.000 2.368 167 S HA -0.176 4.295 4.470 0.001 0.000 0.224 167 S C 1.986 176.554 174.600 -0.053 0.000 1.029 167 S CA 1.352 59.441 58.200 -0.185 0.000 0.988 167 S CB -0.225 62.722 63.200 -0.422 0.000 0.838 167 S HN 0.580 nan 8.310 nan 0.000 0.462 168 K N 0.713 121.147 120.400 0.056 0.000 2.026 168 K HA -0.044 4.276 4.320 0.001 0.000 0.208 168 K C 2.104 178.745 176.600 0.068 0.000 1.048 168 K CA 1.271 57.646 56.287 0.147 0.000 0.929 168 K CB -0.450 32.156 32.500 0.176 0.000 0.713 168 K HN 0.142 nan 8.250 nan 0.000 0.439 169 V N 1.908 121.844 119.914 0.035 0.000 2.261 169 V HA -0.230 3.891 4.120 0.001 0.000 0.246 169 V C 2.154 178.251 176.094 0.005 0.000 1.047 169 V CA 1.632 63.943 62.300 0.019 0.000 1.015 169 V CB -0.303 31.526 31.823 0.010 0.000 0.642 169 V HN 0.231 nan 8.190 nan 0.000 0.446 170 K N 0.521 120.912 120.400 -0.014 0.000 2.155 170 K HA -0.019 4.301 4.320 0.001 0.000 0.203 170 K C 2.191 178.778 176.600 -0.022 0.000 1.052 170 K CA 1.306 57.576 56.287 -0.028 0.000 0.948 170 K CB -1.011 31.456 32.500 -0.057 0.000 0.728 170 K HN 0.530 nan 8.250 nan 0.000 0.448 171 G N 1.065 109.858 108.800 -0.012 0.000 2.408 171 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 171 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 171 G C 1.684 176.598 174.900 0.024 0.000 1.150 171 G CA 1.070 46.174 45.100 0.007 0.000 0.776 171 G HN 0.365 nan 8.290 nan 0.000 0.542 172 A N 0.658 123.497 122.820 0.031 0.000 1.873 172 A HA 0.021 4.341 4.320 0.001 0.000 0.215 172 A C 2.138 179.731 177.584 0.015 0.000 1.186 172 A CA 1.890 53.943 52.037 0.027 0.000 0.616 172 A CB -0.502 18.516 19.000 0.030 0.000 0.823 172 A HN 0.431 nan 8.150 nan 0.000 0.442 173 E N -0.147 120.057 120.200 0.008 0.000 2.118 173 E HA -0.169 4.182 4.350 0.001 0.000 0.195 173 E C 1.473 178.073 176.600 -0.001 0.000 0.992 173 E CA 1.329 57.730 56.400 0.002 0.000 0.804 173 E CB -0.139 29.559 29.700 -0.004 0.000 0.741 173 E HN 0.639 nan 8.360 nan 0.000 0.458 174 L N -0.056 121.164 121.223 -0.004 0.000 2.640 174 L HA 0.164 4.505 4.340 0.001 0.000 0.230 174 L C 0.364 177.234 176.870 -0.001 0.000 1.123 174 L CA -0.129 54.707 54.840 -0.007 0.000 0.900 174 L CB 0.387 42.434 42.059 -0.020 0.000 1.146 174 L HN -0.107 nan 8.230 nan 0.000 0.484 175 S N 1.087 116.791 115.700 0.006 0.000 3.608 175 S HA -0.207 4.263 4.470 0.001 0.000 0.382 175 S C -0.001 174.606 174.600 0.011 0.000 0.945 175 S CA 0.857 59.065 58.200 0.014 0.000 1.256 175 S CB -1.147 62.062 63.200 0.015 0.000 0.913 175 S HN 0.589 nan 8.310 nan 0.000 0.518 176 K N 0.175 120.580 120.400 0.008 0.000 2.502 176 K HA 0.500 4.821 4.320 0.001 0.000 0.257 176 K C -0.670 175.934 176.600 0.006 0.000 0.938 176 K CA -0.590 55.694 56.287 -0.004 0.000 0.819 176 K CB 1.460 33.941 32.500 -0.031 0.000 1.333 176 K HN 0.047 nan 8.250 nan 0.000 0.434 177 T N 4.197 118.758 114.554 0.010 0.000 2.738 177 T HA 0.337 4.687 4.350 0.001 0.000 0.293 177 T C -0.162 174.508 174.700 -0.049 0.000 0.913 177 T CA -0.018 62.100 62.100 0.031 0.000 1.103 177 T CB -0.365 68.539 68.868 0.059 0.000 0.880 177 T HN 0.336 nan 8.240 nan 0.000 0.526 178 I N 3.751 124.269 120.570 -0.086 0.000 2.410 178 I HA 0.350 4.521 4.170 0.001 0.000 0.286 178 I C -0.459 175.411 176.117 -0.410 0.000 1.009 178 I CA -1.054 60.110 61.300 -0.227 0.000 1.111 178 I CB 1.858 39.731 38.000 -0.212 0.000 1.262 178 I HN 0.251 nan 8.210 nan 0.000 0.443 179 V N 8.204 127.811 119.914 -0.512 0.000 2.328 179 V HA 0.337 4.457 4.120 0.001 0.000 0.278 179 V C -2.215 173.374 176.094 -0.843 0.000 1.021 179 V CA -1.742 60.088 62.300 -0.783 0.000 0.838 179 V CB 1.217 32.661 31.823 -0.632 0.000 0.999 179 V HN 0.536 nan 8.190 nan 0.000 0.447 180 P HA 0.335 nan 4.420 nan 0.000 0.287 180 P C -0.864 176.149 177.300 -0.479 0.000 1.281 180 P CA -0.247 62.472 63.100 -0.635 0.000 0.781 180 P CB 1.601 32.970 31.700 -0.552 0.000 0.903 181 V N 5.625 125.320 119.914 -0.364 0.000 2.407 181 V HA 0.337 4.458 4.120 0.001 0.000 0.291 181 V C 0.809 176.811 176.094 -0.153 0.000 1.018 181 V CA -0.606 61.541 62.300 -0.256 0.000 0.842 181 V CB 1.746 33.358 31.823 -0.353 0.000 0.996 181 V HN 0.370 nan 8.190 nan 0.000 0.426 182 R N 2.982 123.421 120.500 -0.101 0.000 4.071 182 R HA 0.172 4.513 4.340 0.001 0.000 0.220 182 R C 0.596 176.826 176.300 -0.117 0.000 1.614 182 R CA -0.106 55.941 56.100 -0.088 0.000 1.505 182 R CB 0.098 30.363 30.300 -0.057 0.000 1.384 182 R HN 0.943 nan 8.270 nan 0.000 0.758 183 C N -1.240 117.994 119.300 -0.111 0.000 2.404 183 C HA 0.334 4.794 4.460 0.001 0.000 0.325 183 C C 0.178 175.084 174.990 -0.140 0.000 1.363 183 C CA -1.096 57.854 59.018 -0.114 0.000 1.775 183 C CB -1.316 26.382 27.740 -0.070 0.000 2.254 183 C HN 0.357 nan 8.230 nan 0.000 0.568 184 E N 1.080 121.126 120.200 -0.257 0.000 2.502 184 E HA 0.327 4.678 4.350 0.001 0.000 0.261 184 E C 1.528 177.852 176.600 -0.460 0.000 0.974 184 E CA 0.965 57.139 56.400 -0.376 0.000 0.936 184 E CB 0.514 29.826 29.700 -0.646 0.000 0.926 184 E HN 0.589 nan 8.360 nan 0.000 0.459 185 G N 2.440 111.093 108.800 -0.244 0.000 2.509 185 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 185 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 185 G C 1.058 175.884 174.900 -0.122 0.000 1.124 185 G CA 0.560 45.583 45.100 -0.129 0.000 0.776 185 G HN 0.651 nan 8.290 nan 0.000 0.547 186 F N 0.920 120.855 119.950 -0.025 0.000 2.451 186 F HA 0.335 4.863 4.527 0.001 0.000 0.299 186 F C 1.223 177.011 175.800 -0.021 0.000 1.101 186 F CA -0.790 57.196 58.000 -0.024 0.000 1.436 186 F CB -0.267 38.716 39.000 -0.029 0.000 1.074 186 F HN -0.121 nan 8.300 nan 0.000 0.553 187 R N 1.335 121.583 120.500 -0.420 0.000 2.539 187 R HA 0.436 4.777 4.340 0.001 0.000 0.275 187 R C 1.093 177.334 176.300 -0.097 0.000 1.077 187 R CA 0.219 56.179 56.100 -0.234 0.000 1.097 187 R CB 0.163 30.261 30.300 -0.337 0.000 1.018 187 R HN 0.474 nan 8.270 nan 0.000 0.483 188 G N 0.282 109.058 108.800 -0.041 0.000 2.575 188 G HA2 -0.328 3.633 3.960 0.001 0.000 0.267 188 G HA3 -0.328 3.633 3.960 0.001 0.000 0.267 188 G C 0.404 175.303 174.900 -0.002 0.000 1.264 188 G CA 0.151 45.236 45.100 -0.024 0.000 0.935 188 G HN 0.826 nan 8.290 nan 0.000 0.568 189 V N -3.501 116.413 119.914 0.000 0.000 3.382 189 V HA 0.710 4.830 4.120 0.001 0.000 0.296 189 V C 0.521 176.634 176.094 0.031 0.000 1.529 189 V CA 1.603 63.916 62.300 0.022 0.000 1.048 189 V CB -0.227 31.616 31.823 0.033 0.000 0.878 189 V HN 2.647 nan 8.190 nan 0.000 0.442 190 S N -1.019 114.679 115.700 -0.004 0.000 2.654 190 S HA 0.306 4.776 4.470 0.001 0.000 0.267 190 S C 0.172 174.670 174.600 -0.169 0.000 1.151 190 S CA 0.045 58.237 58.200 -0.014 0.000 0.873 190 S CB 1.264 64.527 63.200 0.105 0.000 1.181 190 S HN 0.053 nan 8.310 nan 0.000 0.489 191 Q N 1.109 120.702 119.800 -0.345 0.000 2.197 191 Q HA -0.035 4.306 4.340 0.001 0.000 0.207 191 Q C 2.182 177.676 176.000 -0.843 0.000 0.984 191 Q CA 2.004 57.431 55.803 -0.627 0.000 0.869 191 Q CB -0.550 27.630 28.738 -0.929 0.000 0.906 191 Q HN 0.676 nan 8.270 nan 0.000 0.426 192 S N -0.070 115.201 115.700 -0.715 0.000 2.359 192 S HA -0.167 4.304 4.470 0.001 0.000 0.224 192 S C 1.693 176.153 174.600 -0.233 0.000 1.035 192 S CA 1.100 59.013 58.200 -0.477 0.000 1.018 192 S CB -0.234 63.057 63.200 0.151 0.000 0.876 192 S HN 0.390 nan 8.310 nan 0.000 0.448 193 L N 1.587 122.733 121.223 -0.129 0.000 2.201 193 L HA 0.162 4.502 4.340 0.001 0.000 0.212 193 L C 2.311 179.109 176.870 -0.120 0.000 1.105 193 L CA 1.784 56.581 54.840 -0.072 0.000 0.775 193 L CB -1.184 40.835 42.059 -0.066 0.000 0.913 193 L HN 0.407 nan 8.230 nan 0.000 0.440 194 G N -1.794 106.891 108.800 -0.192 0.000 2.432 194 G HA2 -0.278 3.682 3.960 0.001 0.000 0.219 194 G HA3 -0.278 3.682 3.960 0.001 0.000 0.219 194 G C 1.307 176.184 174.900 -0.037 0.000 1.135 194 G CA 1.058 46.075 45.100 -0.139 0.000 0.767 194 G HN 0.608 nan 8.290 nan 0.000 0.550 195 H N -1.322 117.696 119.070 -0.087 0.000 2.319 195 H HA -0.130 4.427 4.556 0.001 0.000 0.299 195 H C 2.282 177.570 175.328 -0.067 0.000 1.092 195 H CA 1.399 57.422 56.048 -0.042 0.000 1.302 195 H CB -0.185 29.594 29.762 0.028 0.000 1.373 195 H HN 0.537 nan 8.280 nan 0.000 0.497 196 H N 0.382 119.306 119.070 -0.244 0.000 2.326 196 H HA -0.099 4.458 4.556 0.001 0.000 0.301 196 H C 2.302 177.454 175.328 -0.293 0.000 1.081 196 H CA 1.156 56.806 56.048 -0.664 0.000 1.334 196 H CB 0.125 29.389 29.762 -0.831 0.000 1.385 196 H HN 0.197 nan 8.280 nan 0.000 0.504 197 I N 0.678 121.216 120.570 -0.054 0.000 2.151 197 I HA -0.315 3.856 4.170 0.001 0.000 0.243 197 I C 2.837 179.007 176.117 0.088 0.000 1.080 197 I CA 1.125 62.404 61.300 -0.035 0.000 1.339 197 I CB -0.364 37.599 38.000 -0.060 0.000 1.039 197 I HN 0.384 nan 8.210 nan 0.000 0.409 198 A N 0.574 123.484 122.820 0.150 0.000 1.902 198 A HA -0.219 4.101 4.320 0.001 0.000 0.217 198 A C 2.099 179.842 177.584 0.264 0.000 1.181 198 A CA 1.893 54.133 52.037 0.338 0.000 0.623 198 A CB -0.928 18.240 19.000 0.279 0.000 0.818 198 A HN 0.489 nan 8.150 nan 0.000 0.443 199 N N -0.149 118.642 118.700 0.150 0.000 2.104 199 N HA -0.168 4.572 4.740 0.001 0.000 0.190 199 N C 0.923 176.526 175.510 0.156 0.000 1.024 199 N CA 1.529 54.669 53.050 0.150 0.000 0.853 199 N CB -0.247 38.334 38.487 0.157 0.000 1.008 199 N HN 0.406 nan 8.380 nan 0.000 0.424 200 D N 0.801 121.283 120.400 0.137 0.000 2.178 200 D HA -0.034 4.607 4.640 0.001 0.000 0.202 200 D C 1.843 178.250 176.300 0.178 0.000 0.974 200 D CA 0.506 54.566 54.000 0.100 0.000 0.841 200 D CB -0.214 40.610 40.800 0.040 0.000 0.953 200 D HN 0.227 nan 8.370 nan 0.000 0.478 201 A N 0.392 123.382 122.820 0.284 0.000 1.930 201 A HA -0.108 4.213 4.320 0.001 0.000 0.217 201 A C 2.463 180.380 177.584 0.554 0.000 1.175 201 A CA 0.976 53.281 52.037 0.446 0.000 0.627 201 A CB -0.649 18.570 19.000 0.365 0.000 0.815 201 A HN 0.130 nan 8.150 nan 0.000 0.443 202 V N 0.315 120.513 119.914 0.474 0.000 2.255 202 V HA -0.289 3.832 4.120 0.001 0.000 0.247 202 V C 2.666 178.898 176.094 0.229 0.000 1.051 202 V CA 2.365 64.847 62.300 0.304 0.000 1.018 202 V CB -0.840 31.018 31.823 0.058 0.000 0.641 202 V HN 0.691 nan 8.190 nan 0.000 0.445 203 R N 0.088 120.673 120.500 0.141 0.000 2.083 203 R HA -0.214 4.126 4.340 0.001 0.000 0.237 203 R C 1.948 178.243 176.300 -0.008 0.000 1.137 203 R CA 2.312 58.401 56.100 -0.018 0.000 0.951 203 R CB -0.375 29.779 30.300 -0.244 0.000 0.851 203 R HN 0.512 nan 8.270 nan 0.000 0.434 204 D N -1.544 118.863 120.400 0.011 0.000 2.234 204 D HA -0.099 4.542 4.640 0.001 0.000 0.205 204 D C 1.018 177.108 176.300 -0.350 0.000 0.962 204 D CA 0.971 54.855 54.000 -0.194 0.000 0.855 204 D CB 0.015 40.670 40.800 -0.241 0.000 0.951 204 D HN 0.397 nan 8.370 nan 0.000 0.500 205 W N -0.678 120.664 121.300 0.070 0.000 2.773 205 W HA 0.186 4.847 4.660 0.001 0.000 0.297 205 W C 1.660 178.228 176.519 0.081 0.000 1.050 205 W CA -0.093 57.290 57.345 0.064 0.000 1.467 205 W CB 0.605 30.094 29.460 0.048 0.000 0.977 205 W HN -0.262 nan 8.180 nan 0.000 0.573 206 V N -0.728 119.359 119.914 0.288 0.000 3.058 206 V HA 0.005 4.125 4.120 0.001 0.000 0.233 206 V C 1.501 177.677 176.094 0.137 0.000 1.255 206 V CA 0.321 62.741 62.300 0.199 0.000 1.267 206 V CB -0.368 31.570 31.823 0.193 0.000 1.049 206 V HN -0.105 nan 8.190 nan 0.000 0.486 207 L N 1.856 123.174 121.223 0.158 0.000 2.201 207 L HA 0.124 4.464 4.340 0.001 0.000 0.212 207 L C 1.911 178.901 176.870 0.201 0.000 1.105 207 L CA 2.265 57.221 54.840 0.193 0.000 0.775 207 L CB -0.726 41.509 42.059 0.292 0.000 0.913 207 L HN 0.332 nan 8.230 nan 0.000 0.440 208 G N -1.900 107.007 108.800 0.179 0.000 3.284 208 G HA2 -0.036 3.925 3.960 0.001 0.000 0.236 208 G HA3 -0.036 3.925 3.960 0.001 0.000 0.236 208 G C 1.414 176.382 174.900 0.114 0.000 1.158 208 G CA -0.186 45.024 45.100 0.183 0.000 0.774 208 G HN 0.291 nan 8.290 nan 0.000 0.545 209 K N 0.267 120.721 120.400 0.090 0.000 2.152 209 K HA -0.039 4.282 4.320 0.001 0.000 0.206 209 K C 1.818 178.451 176.600 0.056 0.000 1.048 209 K CA 0.781 57.108 56.287 0.067 0.000 0.933 209 K CB 0.005 32.543 32.500 0.063 0.000 0.721 209 K HN 0.152 nan 8.250 nan 0.000 0.447 210 R N 0.474 121.004 120.500 0.051 0.000 2.552 210 R HA 0.049 4.389 4.340 0.001 0.000 0.314 210 R C 0.324 176.655 176.300 0.051 0.000 1.041 210 R CA -0.184 55.938 56.100 0.038 0.000 1.076 210 R CB 0.423 30.727 30.300 0.007 0.000 1.290 210 R HN 0.110 nan 8.270 nan 0.000 0.563 211 D N 1.861 122.311 120.400 0.084 0.000 2.182 211 D HA -0.172 4.469 4.640 0.001 0.000 0.201 211 D C 0.893 177.248 176.300 0.091 0.000 0.986 211 D CA 1.443 55.516 54.000 0.122 0.000 0.847 211 D CB 0.267 41.156 40.800 0.148 0.000 0.942 211 D HN 0.389 nan 8.370 nan 0.000 0.467 212 E N -0.067 120.174 120.200 0.068 0.000 2.463 212 E HA 0.013 4.364 4.350 0.001 0.000 0.193 212 E C 0.002 176.633 176.600 0.052 0.000 1.041 212 E CA -0.205 56.229 56.400 0.056 0.000 0.879 212 E CB 0.577 30.304 29.700 0.045 0.000 0.997 212 E HN 0.099 nan 8.360 nan 0.000 0.478 213 D N 1.062 121.495 120.400 0.055 0.000 2.198 213 D HA 0.039 4.680 4.640 0.001 0.000 0.245 213 D C 0.479 176.819 176.300 0.067 0.000 1.079 213 D CA -0.070 53.964 54.000 0.057 0.000 0.854 213 D CB 1.450 42.284 40.800 0.055 0.000 1.148 213 D HN -0.012 nan 8.370 nan 0.000 0.456 214 T N -0.823 113.772 114.554 0.068 0.000 3.182 214 T HA 0.046 4.397 4.350 0.001 0.000 0.277 214 T C 1.248 175.997 174.700 0.083 0.000 1.013 214 T CA 0.088 62.233 62.100 0.075 0.000 0.900 214 T CB -0.266 68.635 68.868 0.055 0.000 1.098 214 T HN 0.350 nan 8.240 nan 0.000 0.543 215 T N -0.980 113.631 114.554 0.094 0.000 3.100 215 T HA 0.256 4.607 4.350 0.001 0.000 0.253 215 T C 0.257 175.028 174.700 0.119 0.000 1.118 215 T CA -0.568 61.584 62.100 0.087 0.000 1.058 215 T CB -0.699 68.214 68.868 0.075 0.000 0.953 215 T HN 0.379 nan 8.240 nan 0.000 0.515 216 F N 3.081 123.039 119.950 0.013 0.000 2.456 216 F HA 0.557 5.085 4.527 0.001 0.000 0.358 216 F C 0.392 176.199 175.800 0.011 0.000 1.095 216 F CA -1.787 56.221 58.000 0.013 0.000 1.216 216 F CB 0.326 39.333 39.000 0.012 0.000 1.125 216 F HN 0.192 nan 8.300 nan 0.000 0.549 217 A N 5.813 128.262 122.820 -0.618 0.000 2.415 217 A HA 0.458 4.779 4.320 0.001 0.000 0.309 217 A C 0.048 177.187 177.584 -0.742 0.000 1.356 217 A CA -0.052 51.687 52.037 -0.498 0.000 0.998 217 A CB -0.810 17.991 19.000 -0.332 0.000 1.145 217 A HN 0.879 nan 8.150 nan 0.000 0.545 218 S N 2.334 117.814 115.700 -0.367 0.000 2.632 218 S HA 0.706 5.176 4.470 0.001 0.000 0.267 218 S C 0.320 174.857 174.600 -0.106 0.000 1.276 218 S CA 0.257 58.370 58.200 -0.146 0.000 0.998 218 S CB 1.101 64.341 63.200 0.067 0.000 0.953 218 S HN 1.476 nan 8.310 nan 0.000 0.547 219 T N -2.581 111.949 114.554 -0.039 0.000 2.883 219 T HA 0.590 4.941 4.350 0.001 0.000 0.296 219 T C -2.735 171.892 174.700 -0.122 0.000 1.117 219 T CA -1.830 60.223 62.100 -0.079 0.000 1.006 219 T CB 1.233 70.078 68.868 -0.037 0.000 1.191 219 T HN 0.289 nan 8.240 nan 0.000 0.508 220 P HA 0.072 nan 4.420 nan 0.000 0.226 220 P C -0.056 177.064 177.300 -0.300 0.000 1.153 220 P CA 0.718 63.559 63.100 -0.431 0.000 0.777 220 P CB -0.177 31.072 31.700 -0.752 0.000 0.794 221 Y N -1.422 118.919 120.300 0.068 0.000 2.607 221 Y HA 0.218 4.769 4.550 0.001 0.000 0.266 221 Y C 0.211 176.073 175.900 -0.063 0.000 1.178 221 Y CA -1.344 56.696 58.100 -0.100 0.000 1.226 221 Y CB -0.852 37.483 38.460 -0.208 0.000 1.144 221 Y HN -0.147 nan 8.280 nan 0.000 0.528 222 D N 1.723 122.219 120.400 0.160 0.000 2.371 222 D HA 0.300 4.941 4.640 0.001 0.000 0.256 222 D C 0.213 176.608 176.300 0.158 0.000 1.193 222 D CA 0.361 54.455 54.000 0.157 0.000 0.881 222 D CB 1.481 42.395 40.800 0.189 0.000 1.143 222 D HN 0.132 nan 8.370 nan 0.000 0.473 223 V N -1.047 118.933 119.914 0.111 0.000 3.102 223 V HA 0.956 5.076 4.120 0.001 0.000 0.312 223 V C -0.744 175.381 176.094 0.052 0.000 1.135 223 V CA -1.189 61.166 62.300 0.092 0.000 1.022 223 V CB 1.880 33.748 31.823 0.074 0.000 1.056 223 V HN 0.514 nan 8.190 nan 0.000 0.436 224 A N 2.195 125.024 122.820 0.016 0.000 2.374 224 A HA 0.893 5.214 4.320 0.001 0.000 0.317 224 A C -0.673 176.888 177.584 -0.038 0.000 1.094 224 A CA -0.824 51.213 52.037 -0.001 0.000 0.765 224 A CB 1.263 20.234 19.000 -0.048 0.000 1.268 224 A HN 0.932 nan 8.150 nan 0.000 0.438 225 I N 3.138 123.703 120.570 -0.008 0.000 2.297 225 I HA 0.218 4.389 4.170 0.001 0.000 0.291 225 I C -0.746 175.346 176.117 -0.043 0.000 1.033 225 I CA -0.277 61.015 61.300 -0.014 0.000 1.253 225 I CB 0.728 38.731 38.000 0.005 0.000 1.396 225 I HN 0.354 nan 8.210 nan 0.000 0.476 226 I N 5.722 126.233 120.570 -0.097 0.000 2.330 226 I HA 0.330 4.501 4.170 0.001 0.000 0.289 226 I C 0.922 176.943 176.117 -0.160 0.000 1.001 226 I CA -0.462 60.702 61.300 -0.225 0.000 1.193 226 I CB 0.600 38.386 38.000 -0.357 0.000 1.345 226 I HN 0.866 nan 8.210 nan 0.000 0.461 227 G N 4.668 113.327 108.800 -0.235 0.000 2.303 227 G HA2 -0.174 3.787 3.960 0.001 0.000 0.260 227 G HA3 -0.174 3.787 3.960 0.001 0.000 0.260 227 G C -0.394 174.306 174.900 -0.333 0.000 1.106 227 G CA -0.315 44.596 45.100 -0.315 0.000 0.900 227 G HN 0.647 nan 8.290 nan 0.000 0.495 228 D N -0.771 119.318 120.400 -0.519 0.000 2.620 228 D HA 0.483 5.124 4.640 0.001 0.000 0.252 228 D C 0.483 176.473 176.300 -0.517 0.000 1.207 228 D CA -0.795 53.027 54.000 -0.298 0.000 0.884 228 D CB 0.820 41.562 40.800 -0.097 0.000 1.262 228 D HN 0.105 nan 8.370 nan 0.000 0.552 229 Y N 2.461 122.749 120.300 -0.019 0.000 2.468 229 Y HA 0.151 4.702 4.550 0.001 0.000 0.268 229 Y C 1.202 177.023 175.900 -0.132 0.000 1.177 229 Y CA -0.387 57.673 58.100 -0.068 0.000 1.265 229 Y CB -0.189 38.233 38.460 -0.064 0.000 1.103 229 Y HN 0.427 nan 8.280 nan 0.000 0.522 230 N N 0.511 119.130 118.700 -0.135 0.000 2.754 230 N HA -0.172 4.569 4.740 0.001 0.000 0.248 230 N C -1.103 174.227 175.510 -0.299 0.000 1.093 230 N CA 0.140 53.017 53.050 -0.289 0.000 0.699 230 N CB -1.170 37.062 38.487 -0.424 0.000 1.016 230 N HN 0.078 nan 8.380 nan 0.000 0.552 231 I N 0.666 121.086 120.570 -0.250 0.000 2.581 231 I HA 0.195 4.366 4.170 0.001 0.000 0.285 231 I C 1.988 177.888 176.117 -0.362 0.000 1.129 231 I CA 1.332 62.429 61.300 -0.337 0.000 1.397 231 I CB -0.468 37.283 38.000 -0.416 0.000 1.399 231 I HN 0.511 nan 8.210 nan 0.000 0.537 232 G N 5.277 113.611 108.800 -0.778 0.000 2.233 232 G HA2 -0.180 3.781 3.960 0.001 0.000 0.270 232 G HA3 -0.180 3.781 3.960 0.001 0.000 0.270 232 G C 1.020 175.701 174.900 -0.364 0.000 1.011 232 G CA 0.738 45.358 45.100 -0.800 0.000 0.762 232 G HN 1.679 nan 8.290 nan 0.000 0.511 233 G N -1.331 107.257 108.800 -0.353 0.000 2.141 233 G HA2 -0.233 3.727 3.960 0.001 0.000 0.231 233 G HA3 -0.233 3.727 3.960 0.001 0.000 0.231 233 G C 0.778 175.612 174.900 -0.110 0.000 0.984 233 G CA 0.910 45.923 45.100 -0.146 0.000 0.660 233 G HN 0.552 nan 8.290 nan 0.000 0.525 234 D N 0.618 120.893 120.400 -0.209 0.000 2.133 234 D HA -0.040 4.601 4.640 0.001 0.000 0.195 234 D C 2.632 178.867 176.300 -0.108 0.000 0.997 234 D CA 1.844 55.686 54.000 -0.263 0.000 0.840 234 D CB -0.419 39.942 40.800 -0.733 0.000 0.947 234 D HN 0.760 nan 8.370 nan 0.000 0.452 235 A N 0.163 122.883 122.820 -0.166 0.000 1.968 235 A HA -0.132 4.189 4.320 0.001 0.000 0.217 235 A C 1.931 179.581 177.584 0.110 0.000 1.169 235 A CA 0.666 52.672 52.037 -0.051 0.000 0.638 235 A CB -0.756 18.160 19.000 -0.140 0.000 0.812 235 A HN 0.233 nan 8.150 nan 0.000 0.446 236 W N 0.314 121.661 121.300 0.078 0.000 2.418 236 W HA 0.044 4.704 4.660 0.001 0.000 0.292 236 W C 2.189 178.760 176.519 0.087 0.000 1.213 236 W CA 0.879 58.275 57.345 0.085 0.000 1.283 236 W CB -1.283 28.234 29.460 0.095 0.000 1.119 236 W HN 0.304 nan 8.180 nan 0.000 0.542 237 S N -0.182 115.694 115.700 0.294 0.000 2.561 237 S HA -0.054 4.416 4.470 0.001 0.000 0.225 237 S C 1.860 176.556 174.600 0.161 0.000 0.977 237 S CA 0.946 59.263 58.200 0.195 0.000 0.926 237 S CB 0.043 63.338 63.200 0.158 0.000 0.769 237 S HN 0.073 nan 8.310 nan 0.000 0.533 238 S N 1.044 116.879 115.700 0.224 0.000 2.412 238 S HA 0.120 4.590 4.470 0.001 0.000 0.223 238 S C 1.831 176.589 174.600 0.264 0.000 1.048 238 S CA -0.057 58.348 58.200 0.341 0.000 0.954 238 S CB -0.086 63.273 63.200 0.265 0.000 0.840 238 S HN 0.423 nan 8.310 nan 0.000 0.503 239 R N 1.245 121.861 120.500 0.193 0.000 2.105 239 R HA -0.026 4.315 4.340 0.001 0.000 0.239 239 R C 2.241 178.624 176.300 0.139 0.000 1.135 239 R CA 1.289 57.482 56.100 0.154 0.000 0.967 239 R CB -0.437 29.981 30.300 0.197 0.000 0.861 239 R HN 0.423 nan 8.270 nan 0.000 0.442 240 I N 0.780 121.441 120.570 0.151 0.000 2.286 240 I HA -0.292 3.879 4.170 0.001 0.000 0.248 240 I C 1.802 177.989 176.117 0.117 0.000 1.115 240 I CA 1.247 62.624 61.300 0.128 0.000 1.392 240 I CB 0.071 38.158 38.000 0.146 0.000 1.065 240 I HN 0.269 nan 8.210 nan 0.000 0.418 241 L N -0.001 121.280 121.223 0.097 0.000 2.072 241 L HA -0.190 4.151 4.340 0.001 0.000 0.205 241 L C 2.486 179.405 176.870 0.082 0.000 1.079 241 L CA 1.064 55.943 54.840 0.065 0.000 0.752 241 L CB -0.617 41.388 42.059 -0.092 0.000 0.906 241 L HN 0.275 nan 8.230 nan 0.000 0.436 242 L N -0.395 120.889 121.223 0.101 0.000 2.083 242 L HA -0.193 4.148 4.340 0.001 0.000 0.209 242 L C 2.536 179.407 176.870 0.002 0.000 1.083 242 L CA 1.296 56.162 54.840 0.043 0.000 0.752 242 L CB -0.491 41.574 42.059 0.011 0.000 0.899 242 L HN 0.302 nan 8.230 nan 0.000 0.433 243 E N -0.052 120.164 120.200 0.027 0.000 2.158 243 E HA -0.176 4.174 4.350 0.001 0.000 0.191 243 E C 1.967 178.572 176.600 0.009 0.000 0.982 243 E CA 0.721 57.127 56.400 0.011 0.000 0.823 243 E CB 0.023 29.743 29.700 0.033 0.000 0.766 243 E HN 0.549 nan 8.360 nan 0.000 0.468 244 E N 0.537 120.764 120.200 0.044 0.000 2.204 244 E HA -0.115 4.236 4.350 0.001 0.000 0.194 244 E C 1.834 178.444 176.600 0.017 0.000 0.989 244 E CA 0.548 56.978 56.400 0.051 0.000 0.824 244 E CB -0.020 29.755 29.700 0.124 0.000 0.756 244 E HN 0.158 nan 8.360 nan 0.000 0.477 245 M N -0.705 118.895 119.600 -0.000 0.000 2.659 245 M HA 0.034 4.515 4.480 0.001 0.000 0.243 245 M C 0.812 177.030 176.300 -0.136 0.000 1.111 245 M CA 1.005 56.278 55.300 -0.044 0.000 1.070 245 M CB 0.521 33.106 32.600 -0.026 0.000 1.525 245 M HN 0.232 nan 8.290 nan 0.000 0.517 246 G N 0.707 109.420 108.800 -0.146 0.000 2.159 246 G HA2 -0.189 3.771 3.960 0.001 0.000 0.227 246 G HA3 -0.189 3.771 3.960 0.001 0.000 0.227 246 G C -0.091 174.629 174.900 -0.299 0.000 0.986 246 G CA -0.077 44.878 45.100 -0.241 0.000 0.651 246 G HN 0.424 nan 8.290 nan 0.000 0.523 247 L N -0.227 120.861 121.223 -0.226 0.000 2.421 247 L HA 0.668 5.009 4.340 0.001 0.000 0.263 247 L C 0.965 177.800 176.870 -0.058 0.000 1.122 247 L CA -0.922 53.804 54.840 -0.191 0.000 0.804 247 L CB 1.146 43.066 42.059 -0.231 0.000 1.150 247 L HN 0.180 nan 8.230 nan 0.000 0.457 248 R N 0.988 121.491 120.500 0.006 0.000 2.288 248 R HA 0.313 4.653 4.340 0.001 0.000 0.326 248 R C -1.211 175.129 176.300 0.066 0.000 0.959 248 R CA -0.470 55.662 56.100 0.053 0.000 0.834 248 R CB 1.230 31.584 30.300 0.091 0.000 1.157 248 R HN 0.689 nan 8.270 nan 0.000 0.470 249 C N 6.371 125.710 119.300 0.064 0.000 2.192 249 C HA 0.209 4.669 4.460 0.001 0.000 0.337 249 C C 1.640 176.689 174.990 0.098 0.000 1.103 249 C CA -0.575 58.485 59.018 0.071 0.000 1.581 249 C CB -0.619 27.161 27.740 0.066 0.000 2.070 249 C HN 0.875 nan 8.230 nan 0.000 0.485 250 V N 4.948 124.927 119.914 0.108 0.000 2.427 250 V HA 0.061 4.182 4.120 0.001 0.000 0.248 250 V C 1.357 177.512 176.094 0.102 0.000 1.051 250 V CA 1.959 64.329 62.300 0.116 0.000 1.048 250 V CB -0.629 31.249 31.823 0.092 0.000 0.666 250 V HN 0.985 nan 8.190 nan 0.000 0.456 251 A N -0.865 122.027 122.820 0.121 0.000 2.572 251 A HA 0.736 5.056 4.320 0.001 0.000 0.295 251 A C -1.032 176.673 177.584 0.202 0.000 1.072 251 A CA -0.595 51.548 52.037 0.177 0.000 0.691 251 A CB 1.541 20.721 19.000 0.300 0.000 1.291 251 A HN 0.272 nan 8.150 nan 0.000 0.404 252 Q N 0.745 120.665 119.800 0.200 0.000 2.327 252 Q HA 0.373 4.713 4.340 0.001 0.000 0.270 252 Q C -1.944 174.165 176.000 0.181 0.000 1.022 252 Q CA -0.137 55.764 55.803 0.164 0.000 0.773 252 Q CB 1.940 30.734 28.738 0.094 0.000 1.251 252 Q HN 0.661 nan 8.270 nan 0.000 0.457 253 W N 1.895 123.092 121.300 -0.172 0.000 2.283 253 W HA 0.263 4.924 4.660 0.001 0.000 0.317 253 W C 0.607 176.856 176.519 -0.450 0.000 1.042 253 W CA -0.741 56.463 57.345 -0.235 0.000 1.348 253 W CB 1.218 30.554 29.460 -0.207 0.000 1.216 253 W HN 0.607 nan 8.180 nan 0.000 0.404 254 S N 0.964 116.509 115.700 -0.258 0.000 2.730 254 S HA 0.306 4.777 4.470 0.001 0.000 0.244 254 S C 0.668 175.247 174.600 -0.034 0.000 1.022 254 S CA -0.435 57.707 58.200 -0.096 0.000 1.014 254 S CB 0.033 63.193 63.200 -0.067 0.000 0.963 254 S HN 0.422 nan 8.310 nan 0.000 0.540 255 G N 1.278 110.034 108.800 -0.073 0.000 2.343 255 G HA2 0.374 4.335 3.960 0.001 0.000 0.254 255 G HA3 0.374 4.335 3.960 0.001 0.000 0.254 255 G C 0.143 175.029 174.900 -0.023 0.000 1.277 255 G CA 0.189 45.269 45.100 -0.034 0.000 0.909 255 G HN 0.306 nan 8.290 nan 0.000 0.502 256 D N 0.144 120.582 120.400 0.062 0.000 2.983 256 D HA -0.133 4.508 4.640 0.001 0.000 0.225 256 D C 0.978 177.376 176.300 0.162 0.000 1.174 256 D CA 1.639 55.764 54.000 0.208 0.000 0.831 256 D CB -1.119 39.889 40.800 0.345 0.000 1.104 256 D HN 0.807 nan 8.370 nan 0.000 0.421 257 G N -0.494 108.346 108.800 0.066 0.000 2.420 257 G HA2 0.547 4.508 3.960 0.001 0.000 0.284 257 G HA3 0.547 4.508 3.960 0.001 0.000 0.284 257 G C -0.050 174.850 174.900 -0.000 0.000 1.177 257 G CA 0.169 45.272 45.100 0.003 0.000 0.841 257 G HN 0.554 nan 8.290 nan 0.000 0.527 258 S N 1.200 116.891 115.700 -0.016 0.000 2.607 258 S HA 0.387 4.858 4.470 0.001 0.000 0.303 258 S C 1.233 175.798 174.600 -0.059 0.000 1.086 258 S CA -0.814 57.385 58.200 -0.002 0.000 0.995 258 S CB 1.854 65.073 63.200 0.032 0.000 1.084 258 S HN 0.593 nan 8.310 nan 0.000 0.507 259 I N 1.661 122.215 120.570 -0.027 0.000 2.394 259 I HA -0.181 3.990 4.170 0.001 0.000 0.251 259 I C 2.311 178.396 176.117 -0.053 0.000 1.136 259 I CA 1.790 63.061 61.300 -0.048 0.000 1.425 259 I CB -0.293 37.714 38.000 0.012 0.000 1.079 259 I HN 0.909 nan 8.210 nan 0.000 0.425 260 S N 0.853 116.541 115.700 -0.020 0.000 2.382 260 S HA -0.265 4.206 4.470 0.001 0.000 0.228 260 S C 1.876 176.454 174.600 -0.037 0.000 1.027 260 S CA 1.241 59.433 58.200 -0.014 0.000 0.991 260 S CB -0.723 62.486 63.200 0.015 0.000 0.823 260 S HN 0.760 nan 8.310 nan 0.000 0.469 261 E N 1.747 121.923 120.200 -0.041 0.000 2.110 261 E HA -0.138 4.212 4.350 0.001 0.000 0.193 261 E C 2.079 178.642 176.600 -0.061 0.000 0.988 261 E CA 1.213 57.592 56.400 -0.035 0.000 0.804 261 E CB -0.643 29.062 29.700 0.008 0.000 0.745 261 E HN 0.624 nan 8.360 nan 0.000 0.458 262 I N 1.620 122.067 120.570 -0.205 0.000 2.179 262 I HA -0.259 3.911 4.170 0.001 0.000 0.242 262 I C 2.353 178.436 176.117 -0.057 0.000 1.088 262 I CA 1.756 62.862 61.300 -0.323 0.000 1.357 262 I CB -0.328 37.315 38.000 -0.596 0.000 1.051 262 I HN 0.133 nan 8.210 nan 0.000 0.409 263 E N 0.582 120.743 120.200 -0.065 0.000 2.268 263 E HA -0.157 4.193 4.350 0.001 0.000 0.195 263 E C 2.126 178.684 176.600 -0.070 0.000 0.995 263 E CA 0.892 57.275 56.400 -0.028 0.000 0.836 263 E CB -0.039 29.651 29.700 -0.016 0.000 0.763 263 E HN 0.514 nan 8.360 nan 0.000 0.491 264 L N 0.377 121.533 121.223 -0.113 0.000 2.492 264 L HA -0.031 4.310 4.340 0.001 0.000 0.223 264 L C 2.160 178.887 176.870 -0.240 0.000 1.132 264 L CA 0.503 55.181 54.840 -0.270 0.000 0.850 264 L CB -0.085 41.755 42.059 -0.364 0.000 0.966 264 L HN 0.093 nan 8.230 nan 0.000 0.454 265 T N 0.322 114.850 114.554 -0.043 0.000 2.788 265 T HA -0.089 4.262 4.350 0.001 0.000 0.268 265 T C -0.679 173.942 174.700 -0.132 0.000 1.044 265 T CA 1.119 63.232 62.100 0.022 0.000 1.139 265 T CB -0.852 68.213 68.868 0.328 0.000 0.867 265 T HN 0.200 nan 8.240 nan 0.000 0.454 266 P HA 0.014 nan 4.420 nan 0.000 0.236 266 P C 1.066 178.134 177.300 -0.386 0.000 1.172 266 P CA 0.798 63.557 63.100 -0.569 0.000 0.759 266 P CB 0.012 31.081 31.700 -1.052 0.000 0.843 267 K N -0.874 119.366 120.400 -0.266 0.000 2.393 267 K HA 0.096 4.416 4.320 0.001 0.000 0.193 267 K C 1.070 177.647 176.600 -0.037 0.000 1.026 267 K CA 0.209 56.400 56.287 -0.159 0.000 1.064 267 K CB -0.568 31.751 32.500 -0.301 0.000 0.833 267 K HN 0.173 nan 8.250 nan 0.000 0.521 268 V N -0.653 119.231 119.914 -0.050 0.000 3.385 268 V HA 0.219 4.340 4.120 0.001 0.000 0.301 268 V C 1.053 177.179 176.094 0.054 0.000 1.082 268 V CA -0.459 61.861 62.300 0.035 0.000 1.085 268 V CB 0.916 32.755 31.823 0.027 0.000 1.152 268 V HN -0.107 nan 8.190 nan 0.000 0.465 269 K N 0.234 120.694 120.400 0.099 0.000 2.334 269 K HA 0.435 4.756 4.320 0.001 0.000 0.195 269 K C -0.236 176.408 176.600 0.073 0.000 1.045 269 K CA 0.465 56.808 56.287 0.094 0.000 1.004 269 K CB 0.270 32.864 32.500 0.157 0.000 0.837 269 K HN 0.639 nan 8.250 nan 0.000 0.510 270 L N 0.514 121.800 121.223 0.104 0.000 2.565 270 L HA 0.313 4.654 4.340 0.001 0.000 0.261 270 L C -1.918 174.996 176.870 0.072 0.000 0.932 270 L CA -0.368 54.522 54.840 0.083 0.000 0.878 270 L CB 1.985 44.114 42.059 0.117 0.000 1.333 270 L HN -0.052 nan 8.230 nan 0.000 0.409 271 N N 4.759 123.496 118.700 0.062 0.000 2.425 271 N HA 0.623 5.364 4.740 0.001 0.000 0.268 271 N C -1.301 174.256 175.510 0.079 0.000 0.991 271 N CA -0.537 52.525 53.050 0.021 0.000 0.931 271 N CB 1.224 39.696 38.487 -0.025 0.000 1.130 271 N HN 0.481 nan 8.380 nan 0.000 0.493 272 L N 3.119 124.364 121.223 0.036 0.000 2.264 272 L HA 0.417 4.757 4.340 0.001 0.000 0.287 272 L C -0.631 176.387 176.870 0.246 0.000 1.039 272 L CA -0.845 54.046 54.840 0.086 0.000 0.829 272 L CB 1.002 42.948 42.059 -0.189 0.000 1.211 272 L HN 0.213 nan 8.230 nan 0.000 0.427 273 V N 3.090 123.199 119.914 0.324 0.000 2.350 273 V HA 0.153 4.273 4.120 0.001 0.000 0.276 273 V C 0.749 176.887 176.094 0.073 0.000 1.028 273 V CA -0.322 62.080 62.300 0.170 0.000 0.860 273 V CB 1.179 33.088 31.823 0.144 0.000 0.990 273 V HN 0.764 nan 8.190 nan 0.000 0.453 274 H N 2.998 121.937 119.070 -0.218 0.000 2.284 274 H HA 0.050 4.607 4.556 0.001 0.000 0.314 274 H C 1.150 176.310 175.328 -0.279 0.000 1.058 274 H CA 1.074 56.812 56.048 -0.516 0.000 1.394 274 H CB 0.710 30.124 29.762 -0.579 0.000 1.431 274 H HN 0.616 nan 8.280 nan 0.000 0.537 275 C N 2.670 121.894 119.300 -0.127 0.000 2.345 275 C HA 0.036 4.497 4.460 0.001 0.000 0.349 275 C C 1.693 176.596 174.990 -0.145 0.000 1.130 275 C CA -0.552 58.388 59.018 -0.130 0.000 1.574 275 C CB -2.341 25.422 27.740 0.038 0.000 2.108 275 C HN 0.601 nan 8.230 nan 0.000 0.516 276 Y N 4.464 124.601 120.300 -0.271 0.000 2.145 276 Y HA -0.151 4.399 4.550 0.001 0.000 0.286 276 Y C 2.425 178.127 175.900 -0.330 0.000 1.145 276 Y CA 2.355 60.291 58.100 -0.274 0.000 1.148 276 Y CB -0.310 38.019 38.460 -0.218 0.000 0.981 276 Y HN 0.703 nan 8.280 nan 0.000 0.507 277 R N 0.904 121.262 120.500 -0.237 0.000 2.094 277 R HA -0.194 4.146 4.340 0.001 0.000 0.239 277 R C 2.545 178.646 176.300 -0.332 0.000 1.137 277 R CA 2.465 58.399 56.100 -0.277 0.000 0.943 277 R CB -1.138 29.161 30.300 -0.002 0.000 0.850 277 R HN 0.501 nan 8.270 nan 0.000 0.433 278 S N -1.650 113.868 115.700 -0.303 0.000 2.436 278 S HA 0.008 4.479 4.470 0.001 0.000 0.228 278 S C 1.550 176.043 174.600 -0.177 0.000 1.014 278 S CA 0.978 58.939 58.200 -0.399 0.000 0.950 278 S CB 0.213 63.000 63.200 -0.688 0.000 0.784 278 S HN 0.298 nan 8.310 nan 0.000 0.504 279 M N 1.805 121.219 119.600 -0.310 0.000 2.289 279 M HA 0.267 4.748 4.480 0.001 0.000 0.335 279 M C 1.101 177.061 176.300 -0.566 0.000 0.961 279 M CA 0.269 55.395 55.300 -0.289 0.000 1.018 279 M CB -0.254 32.201 32.600 -0.241 0.000 1.678 279 M HN 0.636 nan 8.290 nan 0.000 0.589 280 N N 0.260 118.405 118.700 -0.925 0.000 2.289 280 N HA -0.197 4.543 4.740 0.001 0.000 0.184 280 N C 1.273 176.236 175.510 -0.912 0.000 1.016 280 N CA 1.704 54.054 53.050 -1.166 0.000 0.872 280 N CB -0.444 37.083 38.487 -1.600 0.000 0.973 280 N HN 0.219 nan 8.380 nan 0.000 0.433 281 Y N 0.155 120.149 120.300 -0.510 0.000 2.114 281 Y HA -0.027 4.523 4.550 0.001 0.000 0.284 281 Y C 2.241 177.998 175.900 -0.238 0.000 1.143 281 Y CA 0.634 58.515 58.100 -0.365 0.000 1.135 281 Y CB -0.713 37.523 38.460 -0.373 0.000 0.980 281 Y HN 0.106 nan 8.280 nan 0.000 0.499 282 I N -0.465 120.079 120.570 -0.044 0.000 2.394 282 I HA -0.242 3.929 4.170 0.001 0.000 0.251 282 I C 2.191 178.204 176.117 -0.173 0.000 1.136 282 I CA 1.220 62.503 61.300 -0.028 0.000 1.425 282 I CB -0.469 37.534 38.000 0.004 0.000 1.079 282 I HN 0.056 nan 8.210 nan 0.000 0.425 283 S N 0.306 115.741 115.700 -0.443 0.000 2.368 283 S HA -0.155 4.316 4.470 0.001 0.000 0.224 283 S C 2.068 176.348 174.600 -0.532 0.000 1.029 283 S CA 1.188 59.009 58.200 -0.632 0.000 0.988 283 S CB -0.304 62.226 63.200 -1.117 0.000 0.838 283 S HN 0.444 nan 8.310 nan 0.000 0.462 284 R N 0.100 120.309 120.500 -0.485 0.000 2.081 284 R HA -0.109 4.232 4.340 0.001 0.000 0.235 284 R C 2.334 178.635 176.300 0.001 0.000 1.131 284 R CA 1.562 57.592 56.100 -0.117 0.000 0.960 284 R CB -0.470 29.788 30.300 -0.070 0.000 0.856 284 R HN 0.538 nan 8.270 nan 0.000 0.436 285 H N 0.719 119.756 119.070 -0.054 0.000 2.319 285 H HA -0.060 4.497 4.556 0.001 0.000 0.299 285 H C 1.954 177.294 175.328 0.021 0.000 1.092 285 H CA 2.010 58.056 56.048 -0.003 0.000 1.302 285 H CB -0.058 29.717 29.762 0.021 0.000 1.373 285 H HN 0.044 nan 8.280 nan 0.000 0.497 286 M N -0.158 119.370 119.600 -0.120 0.000 2.229 286 M HA -0.116 4.365 4.480 0.001 0.000 0.264 286 M C 2.320 178.634 176.300 0.022 0.000 1.063 286 M CA 1.390 56.682 55.300 -0.013 0.000 1.114 286 M CB -0.071 32.576 32.600 0.078 0.000 1.387 286 M HN 0.404 nan 8.290 nan 0.000 0.420 287 E N 0.842 121.069 120.200 0.045 0.000 2.028 287 E HA -0.196 4.155 4.350 0.001 0.000 0.191 287 E C 1.760 178.364 176.600 0.006 0.000 0.988 287 E CA 1.341 57.797 56.400 0.093 0.000 0.799 287 E CB 0.029 29.870 29.700 0.235 0.000 0.755 287 E HN 0.391 nan 8.360 nan 0.000 0.447 288 E N 0.712 120.888 120.200 -0.040 0.000 2.051 288 E HA -0.180 4.171 4.350 0.001 0.000 0.192 288 E C 2.092 178.591 176.600 -0.168 0.000 0.991 288 E CA 1.045 57.400 56.400 -0.076 0.000 0.799 288 E CB -0.197 29.469 29.700 -0.057 0.000 0.748 288 E HN 0.229 nan 8.360 nan 0.000 0.449 289 K N -0.518 119.669 120.400 -0.355 0.000 2.067 289 K HA -0.078 4.242 4.320 0.001 0.000 0.203 289 K C 1.403 177.692 176.600 -0.518 0.000 1.048 289 K CA 0.834 56.797 56.287 -0.541 0.000 0.954 289 K CB 0.081 32.028 32.500 -0.922 0.000 0.737 289 K HN 0.064 nan 8.250 nan 0.000 0.444 290 Y N -0.573 119.657 120.300 -0.117 0.000 2.467 290 Y HA 0.300 4.850 4.550 0.001 0.000 0.250 290 Y C 1.028 176.907 175.900 -0.036 0.000 1.155 290 Y CA 0.096 58.161 58.100 -0.058 0.000 1.249 290 Y CB 1.029 39.459 38.460 -0.050 0.000 1.146 290 Y HN 0.308 nan 8.280 nan 0.000 0.524 291 G N 1.350 110.197 108.800 0.079 0.000 2.198 291 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 291 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 291 G C -0.016 174.922 174.900 0.062 0.000 1.025 291 G CA 0.137 45.268 45.100 0.051 0.000 0.769 291 G HN 0.358 nan 8.290 nan 0.000 0.507 292 I N 2.416 123.041 120.570 0.092 0.000 2.352 292 I HA 0.274 4.444 4.170 0.001 0.000 0.290 292 I C -1.353 174.820 176.117 0.094 0.000 1.036 292 I CA -2.273 59.072 61.300 0.075 0.000 1.336 292 I CB 1.208 39.248 38.000 0.067 0.000 1.407 292 I HN -0.049 nan 8.210 nan 0.000 0.497 293 P HA 0.117 nan 4.420 nan 0.000 0.274 293 P C -1.318 176.052 177.300 0.116 0.000 1.237 293 P CA -0.221 62.893 63.100 0.024 0.000 0.793 293 P CB 0.712 32.372 31.700 -0.067 0.000 0.977 294 W N 1.941 123.213 121.300 -0.046 0.000 3.033 294 W HA 0.695 5.355 4.660 0.001 0.000 0.336 294 W C -1.459 175.046 176.519 -0.022 0.000 1.173 294 W CA -1.340 55.979 57.345 -0.043 0.000 1.185 294 W CB 1.062 30.486 29.460 -0.060 0.000 1.425 294 W HN 0.344 nan 8.180 nan 0.000 0.536 295 M N 0.481 120.188 119.600 0.179 0.000 2.470 295 M HA 0.530 5.011 4.480 0.001 0.000 0.285 295 M C -1.423 175.026 176.300 0.249 0.000 1.213 295 M CA -0.688 54.641 55.300 0.048 0.000 0.901 295 M CB 3.181 35.774 32.600 -0.011 0.000 1.718 295 M HN 0.440 nan 8.290 nan 0.000 0.469 296 E N 1.944 122.260 120.200 0.194 0.000 2.343 296 E HA 0.529 4.880 4.350 0.001 0.000 0.269 296 E C -1.593 175.141 176.600 0.223 0.000 1.047 296 E CA -0.230 56.297 56.400 0.211 0.000 0.874 296 E CB 1.073 30.850 29.700 0.128 0.000 1.033 296 E HN 0.609 nan 8.360 nan 0.000 0.409 297 Y N 0.063 120.406 120.300 0.073 0.000 2.689 297 Y HA 0.617 5.168 4.550 0.001 0.000 0.333 297 Y C -1.410 174.563 175.900 0.122 0.000 1.190 297 Y CA -1.477 56.649 58.100 0.043 0.000 1.063 297 Y CB 1.487 39.917 38.460 -0.050 0.000 1.294 297 Y HN 0.338 nan 8.280 nan 0.000 0.466 298 N N 1.243 119.946 118.700 0.003 0.000 2.500 298 N HA 0.280 5.021 4.740 0.001 0.000 0.291 298 N C -2.039 173.575 175.510 0.172 0.000 1.092 298 N CA -0.704 52.251 53.050 -0.160 0.000 0.890 298 N CB 0.838 38.994 38.487 -0.552 0.000 1.466 298 N HN 0.658 nan 8.380 nan 0.000 0.507 299 F N 2.652 122.526 119.950 -0.126 0.000 2.850 299 F HA 0.439 4.967 4.527 0.001 0.000 0.306 299 F C -0.419 175.061 175.800 -0.534 0.000 1.162 299 F CA -0.856 56.918 58.000 -0.377 0.000 1.327 299 F CB -0.489 38.235 39.000 -0.460 0.000 0.953 299 F HN 0.323 nan 8.300 nan 0.000 0.507 300 F N 0.803 120.653 119.950 -0.167 0.000 2.350 300 F HA 0.567 5.094 4.527 0.001 0.000 0.365 300 F C 0.900 176.458 175.800 -0.403 0.000 1.122 300 F CA -0.705 57.130 58.000 -0.274 0.000 1.139 300 F CB 0.566 39.410 39.000 -0.260 0.000 1.220 300 F HN 0.234 nan 8.300 nan 0.000 0.499 301 G N 5.030 113.643 108.800 -0.313 0.000 2.733 301 G HA2 -0.157 3.804 3.960 0.001 0.000 0.686 301 G HA3 -0.157 3.804 3.960 0.001 0.000 0.686 301 G C -2.205 172.228 174.900 -0.779 0.000 1.373 301 G CA -0.867 43.847 45.100 -0.643 0.000 0.838 301 G HN 0.388 nan 8.290 nan 0.000 0.588 302 P HA -0.081 nan 4.420 nan 0.000 0.216 302 P C 1.855 178.720 177.300 -0.724 0.000 1.153 302 P CA 2.251 64.746 63.100 -1.008 0.000 0.848 302 P CB -0.084 30.537 31.700 -1.798 0.000 0.787 303 T N 0.709 114.887 114.554 -0.626 0.000 2.684 303 T HA -0.118 4.233 4.350 0.001 0.000 0.267 303 T C 1.848 176.382 174.700 -0.276 0.000 1.036 303 T CA 1.419 63.293 62.100 -0.376 0.000 1.148 303 T CB -0.368 68.334 68.868 -0.276 0.000 0.863 303 T HN 0.140 nan 8.240 nan 0.000 0.436 304 K N 0.825 121.055 120.400 -0.284 0.000 2.057 304 K HA -0.002 4.319 4.320 0.001 0.000 0.206 304 K C 2.573 179.064 176.600 -0.183 0.000 1.050 304 K CA 1.188 57.354 56.287 -0.202 0.000 0.935 304 K CB -0.953 31.430 32.500 -0.196 0.000 0.715 304 K HN 0.322 nan 8.250 nan 0.000 0.439 305 T N 2.314 116.660 114.554 -0.348 0.000 2.684 305 T HA -0.088 4.263 4.350 0.001 0.000 0.267 305 T C 2.112 176.616 174.700 -0.327 0.000 1.036 305 T CA 1.184 62.977 62.100 -0.510 0.000 1.148 305 T CB -0.224 67.961 68.868 -1.138 0.000 0.863 305 T HN 0.119 nan 8.240 nan 0.000 0.436 306 I N 0.854 121.277 120.570 -0.245 0.000 2.163 306 I HA -0.187 3.984 4.170 0.001 0.000 0.243 306 I C 2.777 178.878 176.117 -0.026 0.000 1.085 306 I CA 1.475 62.742 61.300 -0.055 0.000 1.347 306 I CB -0.383 37.608 38.000 -0.016 0.000 1.044 306 I HN 0.352 nan 8.210 nan 0.000 0.408 307 E N 0.777 120.947 120.200 -0.049 0.000 2.085 307 E HA -0.222 4.128 4.350 0.001 0.000 0.194 307 E C 2.241 178.860 176.600 0.032 0.000 0.994 307 E CA 1.804 58.196 56.400 -0.013 0.000 0.801 307 E CB 0.091 29.769 29.700 -0.036 0.000 0.743 307 E HN 0.391 nan 8.360 nan 0.000 0.453 308 S N 0.742 116.488 115.700 0.076 0.000 2.348 308 S HA -0.128 4.343 4.470 0.001 0.000 0.221 308 S C 2.015 176.710 174.600 0.158 0.000 1.033 308 S CA 1.057 59.361 58.200 0.174 0.000 1.010 308 S CB -0.314 63.124 63.200 0.397 0.000 0.891 308 S HN 0.267 nan 8.310 nan 0.000 0.442 309 L N 0.942 122.253 121.223 0.147 0.000 2.043 309 L HA -0.204 4.137 4.340 0.001 0.000 0.212 309 L C 2.738 179.657 176.870 0.082 0.000 1.075 309 L CA 1.496 56.400 54.840 0.107 0.000 0.752 309 L CB -0.460 41.631 42.059 0.053 0.000 0.891 309 L HN 0.243 nan 8.230 nan 0.000 0.432 310 R N -0.528 120.012 120.500 0.066 0.000 2.092 310 R HA -0.094 4.247 4.340 0.001 0.000 0.231 310 R C 2.438 178.771 176.300 0.056 0.000 1.119 310 R CA 1.190 57.324 56.100 0.057 0.000 0.970 310 R CB -0.418 29.908 30.300 0.042 0.000 0.864 310 R HN 0.368 nan 8.270 nan 0.000 0.440 311 A N 1.088 123.939 122.820 0.052 0.000 1.898 311 A HA -0.126 4.194 4.320 0.001 0.000 0.216 311 A C 2.114 179.730 177.584 0.054 0.000 1.181 311 A CA 1.159 53.221 52.037 0.041 0.000 0.620 311 A CB -0.414 18.608 19.000 0.036 0.000 0.819 311 A HN 0.166 nan 8.150 nan 0.000 0.442 312 I N -0.260 120.357 120.570 0.079 0.000 2.202 312 I HA -0.262 3.909 4.170 0.001 0.000 0.242 312 I C 2.987 179.245 176.117 0.235 0.000 1.091 312 I CA 1.065 62.438 61.300 0.120 0.000 1.368 312 I CB -0.354 37.692 38.000 0.077 0.000 1.058 312 I HN 0.344 nan 8.210 nan 0.000 0.410 313 A N 0.808 123.740 122.820 0.187 0.000 1.908 313 A HA -0.194 4.127 4.320 0.001 0.000 0.218 313 A C 2.500 180.207 177.584 0.205 0.000 1.181 313 A CA 1.807 53.976 52.037 0.219 0.000 0.627 313 A CB -0.910 18.156 19.000 0.110 0.000 0.818 313 A HN 0.444 nan 8.150 nan 0.000 0.445 314 A N -0.665 122.220 122.820 0.108 0.000 2.139 314 A HA -0.145 4.175 4.320 0.001 0.000 0.221 314 A C 1.854 179.439 177.584 0.002 0.000 1.159 314 A CA 1.692 53.761 52.037 0.052 0.000 0.662 314 A CB -0.286 18.727 19.000 0.021 0.000 0.796 314 A HN 0.361 nan 8.150 nan 0.000 0.463 315 K N -1.390 118.979 120.400 -0.052 0.000 2.459 315 K HA 0.175 4.496 4.320 0.001 0.000 0.193 315 K C 0.122 176.430 176.600 -0.487 0.000 1.030 315 K CA 0.358 56.465 56.287 -0.300 0.000 1.026 315 K CB -0.213 32.002 32.500 -0.475 0.000 0.809 315 K HN 0.566 nan 8.250 nan 0.000 0.504 316 F N 0.803 120.785 119.950 0.054 0.000 3.022 316 F HA 0.129 4.657 4.527 0.001 0.000 0.193 316 F C 0.747 176.603 175.800 0.093 0.000 1.462 316 F CA -0.745 57.319 58.000 0.107 0.000 0.914 316 F CB -0.026 39.075 39.000 0.168 0.000 2.028 316 F HN -0.084 nan 8.300 nan 0.000 0.451 317 D N -1.556 119.042 120.400 0.329 0.000 2.614 317 D HA 0.212 4.852 4.640 0.001 0.000 0.264 317 D C 0.250 176.630 176.300 0.133 0.000 1.092 317 D CA -0.524 53.593 54.000 0.195 0.000 1.071 317 D CB 0.313 41.245 40.800 0.221 0.000 1.443 317 D HN 0.290 nan 8.370 nan 0.000 0.528 318 E N -0.239 120.014 120.200 0.088 0.000 2.153 318 E HA -0.174 4.177 4.350 0.001 0.000 0.194 318 E C 1.851 178.473 176.600 0.036 0.000 0.988 318 E CA 1.641 58.074 56.400 0.055 0.000 0.811 318 E CB -0.172 29.553 29.700 0.042 0.000 0.746 318 E HN 0.577 nan 8.360 nan 0.000 0.466 319 S N 1.043 116.765 115.700 0.036 0.000 2.368 319 S HA -0.134 4.337 4.470 0.001 0.000 0.225 319 S C 2.017 176.571 174.600 -0.076 0.000 1.030 319 S CA 0.788 58.977 58.200 -0.019 0.000 0.999 319 S CB -0.194 62.992 63.200 -0.024 0.000 0.844 319 S HN 0.068 nan 8.310 nan 0.000 0.459 320 I N 2.263 122.782 120.570 -0.084 0.000 2.353 320 I HA -0.053 4.118 4.170 0.001 0.000 0.248 320 I C 2.764 178.863 176.117 -0.030 0.000 1.119 320 I CA 1.057 62.283 61.300 -0.124 0.000 1.417 320 I CB -1.710 36.219 38.000 -0.119 0.000 1.078 320 I HN 0.428 nan 8.210 nan 0.000 0.421 321 Q N 0.563 120.377 119.800 0.023 0.000 2.124 321 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 321 Q C 2.242 178.252 176.000 0.016 0.000 0.977 321 Q CA 1.611 57.434 55.803 0.033 0.000 0.850 321 Q CB -0.158 28.607 28.738 0.045 0.000 0.901 321 Q HN 0.424 nan 8.270 nan 0.000 0.429 322 K N 1.198 121.600 120.400 0.003 0.000 2.057 322 K HA -0.154 4.167 4.320 0.001 0.000 0.206 322 K C 1.757 178.352 176.600 -0.007 0.000 1.050 322 K CA 1.175 57.461 56.287 -0.001 0.000 0.935 322 K CB 0.137 32.633 32.500 -0.007 0.000 0.715 322 K HN 0.005 nan 8.250 nan 0.000 0.439 323 K N 0.348 120.733 120.400 -0.026 0.000 2.097 323 K HA -0.164 4.156 4.320 0.001 0.000 0.206 323 K C 2.360 178.962 176.600 0.004 0.000 1.049 323 K CA 1.286 57.557 56.287 -0.026 0.000 0.933 323 K CB -0.404 32.058 32.500 -0.064 0.000 0.717 323 K HN 0.297 nan 8.250 nan 0.000 0.442 324 C N 2.051 121.356 119.300 0.010 0.000 2.393 324 C HA -0.148 4.313 4.460 0.001 0.000 0.276 324 C C 2.434 177.457 174.990 0.055 0.000 1.215 324 C CA 1.266 60.308 59.018 0.040 0.000 1.743 324 C CB -0.604 27.162 27.740 0.043 0.000 2.044 324 C HN 0.412 nan 8.230 nan 0.000 0.464 325 E N 0.495 120.718 120.200 0.039 0.000 2.150 325 E HA -0.133 4.217 4.350 0.001 0.000 0.193 325 E C 2.027 178.647 176.600 0.033 0.000 0.985 325 E CA 1.175 57.599 56.400 0.040 0.000 0.814 325 E CB -0.503 29.213 29.700 0.027 0.000 0.752 325 E HN 0.757 nan 8.360 nan 0.000 0.466 326 E N 0.268 120.482 120.200 0.023 0.000 2.072 326 E HA -0.112 4.239 4.350 0.001 0.000 0.191 326 E C 2.211 178.830 176.600 0.032 0.000 0.985 326 E CA 1.043 57.450 56.400 0.011 0.000 0.801 326 E CB 0.030 29.729 29.700 -0.002 0.000 0.750 326 E HN 0.008 nan 8.360 nan 0.000 0.452 327 V N 1.513 121.475 119.914 0.079 0.000 2.287 327 V HA -0.284 3.837 4.120 0.001 0.000 0.248 327 V C 2.261 178.472 176.094 0.195 0.000 1.053 327 V CA 1.684 64.092 62.300 0.180 0.000 1.027 327 V CB -0.447 31.505 31.823 0.214 0.000 0.646 327 V HN 0.270 nan 8.190 nan 0.000 0.447 328 I N 0.495 121.153 120.570 0.145 0.000 2.163 328 I HA -0.283 3.888 4.170 0.001 0.000 0.243 328 I C 2.656 178.804 176.117 0.051 0.000 1.085 328 I CA 1.664 63.041 61.300 0.127 0.000 1.347 328 I CB -0.608 37.474 38.000 0.137 0.000 1.044 328 I HN 0.302 nan 8.210 nan 0.000 0.408 329 A N 0.621 123.453 122.820 0.019 0.000 1.933 329 A HA -0.259 4.061 4.320 0.001 0.000 0.218 329 A C 2.390 179.917 177.584 -0.095 0.000 1.175 329 A CA 1.940 53.957 52.037 -0.033 0.000 0.628 329 A CB -0.526 18.456 19.000 -0.031 0.000 0.814 329 A HN 0.409 nan 8.150 nan 0.000 0.444 330 K N -1.513 118.817 120.400 -0.117 0.000 2.026 330 K HA -0.181 4.140 4.320 0.001 0.000 0.208 330 K C 1.654 178.038 176.600 -0.360 0.000 1.048 330 K CA 1.857 57.987 56.287 -0.262 0.000 0.929 330 K CB -0.360 31.928 32.500 -0.354 0.000 0.713 330 K HN 0.510 nan 8.250 nan 0.000 0.439 331 Y N 1.024 121.164 120.300 -0.266 0.000 2.519 331 Y HA 0.012 4.563 4.550 0.001 0.000 0.287 331 Y C 2.230 177.902 175.900 -0.380 0.000 1.128 331 Y CA 0.814 58.671 58.100 -0.405 0.000 1.282 331 Y CB -0.032 37.864 38.460 -0.940 0.000 1.027 331 Y HN 0.101 nan 8.280 nan 0.000 0.551 332 K N 0.981 121.242 120.400 -0.232 0.000 2.034 332 K HA -0.205 4.116 4.320 0.001 0.000 0.214 332 K C -0.810 175.386 176.600 -0.673 0.000 1.051 332 K CA 2.029 58.024 56.287 -0.487 0.000 0.931 332 K CB -1.077 31.264 32.500 -0.264 0.000 0.715 332 K HN 0.177 nan 8.250 nan 0.000 0.446 333 P HA -0.141 nan 4.420 nan 0.000 0.220 333 P C 0.464 177.623 177.300 -0.236 0.000 1.148 333 P CA 1.436 64.353 63.100 -0.305 0.000 0.803 333 P CB 0.012 31.594 31.700 -0.197 0.000 0.782 334 E N -0.089 120.012 120.200 -0.164 0.000 2.028 334 E HA -0.126 4.225 4.350 0.001 0.000 0.191 334 E C 2.246 178.919 176.600 0.121 0.000 0.988 334 E CA 1.119 57.523 56.400 0.006 0.000 0.799 334 E CB -0.634 29.127 29.700 0.101 0.000 0.755 334 E HN 0.500 nan 8.360 nan 0.000 0.447 335 W N 1.501 122.870 121.300 0.114 0.000 2.467 335 W HA 0.022 4.683 4.660 0.001 0.000 0.275 335 W C 1.096 177.731 176.519 0.194 0.000 1.239 335 W CA 0.441 57.926 57.345 0.232 0.000 1.266 335 W CB -0.377 29.218 29.460 0.225 0.000 1.112 335 W HN 0.003 nan 8.180 nan 0.000 0.576 336 E N 1.288 121.213 120.200 -0.458 0.000 2.150 336 E HA -0.126 4.225 4.350 0.001 0.000 0.193 336 E C 2.625 179.196 176.600 -0.050 0.000 0.985 336 E CA 1.434 57.623 56.400 -0.351 0.000 0.814 336 E CB -0.219 29.124 29.700 -0.595 0.000 0.752 336 E HN 0.298 nan 8.360 nan 0.000 0.466 337 A N 0.874 123.673 122.820 -0.036 0.000 1.930 337 A HA -0.128 4.193 4.320 0.001 0.000 0.217 337 A C 2.465 180.101 177.584 0.086 0.000 1.175 337 A CA 0.976 53.020 52.037 0.011 0.000 0.627 337 A CB -0.523 18.475 19.000 -0.003 0.000 0.815 337 A HN 0.100 nan 8.150 nan 0.000 0.443 338 V N -0.385 119.651 119.914 0.203 0.000 2.295 338 V HA -0.237 3.884 4.120 0.001 0.000 0.246 338 V C 2.576 178.850 176.094 0.300 0.000 1.049 338 V CA 2.050 64.520 62.300 0.284 0.000 1.024 338 V CB -0.834 31.186 31.823 0.328 0.000 0.648 338 V HN 0.369 nan 8.190 nan 0.000 0.447 339 V N 0.327 120.467 119.914 0.375 0.000 2.343 339 V HA -0.271 3.850 4.120 0.001 0.000 0.247 339 V C 2.712 178.911 176.094 0.175 0.000 1.051 339 V CA 2.057 64.560 62.300 0.337 0.000 1.036 339 V CB -1.164 30.909 31.823 0.415 0.000 0.654 339 V HN 0.566 nan 8.190 nan 0.000 0.451 340 A N -0.308 122.572 122.820 0.101 0.000 1.933 340 A HA -0.277 4.044 4.320 0.001 0.000 0.218 340 A C 2.337 179.902 177.584 -0.031 0.000 1.175 340 A CA 2.278 54.331 52.037 0.026 0.000 0.628 340 A CB -0.441 18.555 19.000 -0.007 0.000 0.814 340 A HN 0.554 nan 8.150 nan 0.000 0.444 341 K N -2.103 118.239 120.400 -0.096 0.000 2.031 341 K HA -0.114 4.206 4.320 0.001 0.000 0.205 341 K C 1.550 177.948 176.600 -0.337 0.000 1.049 341 K CA 1.692 57.792 56.287 -0.310 0.000 0.939 341 K CB -0.223 31.928 32.500 -0.582 0.000 0.717 341 K HN 0.523 nan 8.250 nan 0.000 0.438 342 Y N -0.434 119.866 120.300 0.000 0.000 2.524 342 Y HA 0.216 4.766 4.550 0.001 0.000 0.270 342 Y C 2.189 178.088 175.900 -0.002 0.000 1.094 342 Y CA 0.117 58.202 58.100 -0.025 0.000 1.276 342 Y CB 0.068 38.475 38.460 -0.087 0.000 1.130 342 Y HN -0.010 nan 8.280 nan 0.000 0.536 343 R N 0.914 121.512 120.500 0.163 0.000 2.081 343 R HA -0.116 4.225 4.340 0.001 0.000 0.235 343 R C -0.983 175.368 176.300 0.086 0.000 1.131 343 R CA 1.690 57.868 56.100 0.129 0.000 0.960 343 R CB -1.141 29.246 30.300 0.145 0.000 0.856 343 R HN 0.169 nan 8.270 nan 0.000 0.436 344 P HA -0.113 nan 4.420 nan 0.000 0.220 344 P C 0.283 177.607 177.300 0.040 0.000 1.148 344 P CA 1.361 64.485 63.100 0.039 0.000 0.803 344 P CB -0.020 31.691 31.700 0.018 0.000 0.782 345 R N -1.238 119.293 120.500 0.053 0.000 2.299 345 R HA 0.199 4.540 4.340 0.001 0.000 0.197 345 R C 1.486 177.819 176.300 0.055 0.000 0.971 345 R CA 0.596 56.730 56.100 0.057 0.000 1.030 345 R CB -0.166 30.185 30.300 0.085 0.000 0.932 345 R HN 0.281 nan 8.270 nan 0.000 0.477 346 L N -0.636 120.620 121.223 0.056 0.000 2.993 346 L HA 0.178 4.518 4.340 0.001 0.000 0.264 346 L C 0.242 177.137 176.870 0.042 0.000 1.154 346 L CA -0.283 54.581 54.840 0.041 0.000 0.972 346 L CB 0.490 42.572 42.059 0.038 0.000 1.373 346 L HN -0.021 nan 8.230 nan 0.000 0.564 347 E N 1.075 121.303 120.200 0.048 0.000 2.652 347 E HA 0.162 4.512 4.350 0.001 0.000 0.255 347 E C 1.276 177.892 176.600 0.028 0.000 0.952 347 E CA 1.433 57.859 56.400 0.044 0.000 0.947 347 E CB 0.286 30.012 29.700 0.042 0.000 0.912 347 E HN 0.331 nan 8.360 nan 0.000 0.489 348 G N 3.910 112.725 108.800 0.025 0.000 2.253 348 G HA2 -0.270 3.690 3.960 0.001 0.000 0.251 348 G HA3 -0.270 3.690 3.960 0.001 0.000 0.251 348 G C 0.005 174.902 174.900 -0.004 0.000 0.998 348 G CA 0.295 45.400 45.100 0.009 0.000 0.621 348 G HN 0.488 nan 8.290 nan 0.000 0.524 349 K N 0.895 121.292 120.400 -0.004 0.000 2.355 349 K HA 0.432 4.753 4.320 0.001 0.000 0.270 349 K C 0.695 177.266 176.600 -0.049 0.000 1.003 349 K CA -0.039 56.231 56.287 -0.028 0.000 0.957 349 K CB 0.634 33.117 32.500 -0.028 0.000 0.939 349 K HN 0.449 nan 8.250 nan 0.000 0.482 350 R N 0.735 121.190 120.500 -0.075 0.000 2.393 350 R HA 0.443 4.784 4.340 0.001 0.000 0.310 350 R C -0.640 175.570 176.300 -0.150 0.000 0.968 350 R CA -0.715 55.326 56.100 -0.100 0.000 0.867 350 R CB 1.415 31.666 30.300 -0.081 0.000 1.124 350 R HN 0.204 nan 8.270 nan 0.000 0.450 351 V N 4.130 123.924 119.914 -0.200 0.000 2.604 351 V HA 0.456 4.577 4.120 0.001 0.000 0.305 351 V C -0.160 175.802 176.094 -0.220 0.000 1.043 351 V CA -0.802 61.329 62.300 -0.281 0.000 0.888 351 V CB 1.952 33.453 31.823 -0.536 0.000 0.995 351 V HN 0.702 nan 8.190 nan 0.000 0.429 352 M N 5.023 124.522 119.600 -0.168 0.000 2.336 352 M HA 0.628 5.109 4.480 0.001 0.000 0.342 352 M C -1.116 175.176 176.300 -0.014 0.000 1.128 352 M CA -0.329 54.951 55.300 -0.033 0.000 1.016 352 M CB 1.824 34.453 32.600 0.049 0.000 1.665 352 M HN 0.424 nan 8.290 nan 0.000 0.445 353 L N 2.426 123.679 121.223 0.050 0.000 2.342 353 L HA 0.608 4.949 4.340 0.001 0.000 0.271 353 L C -1.447 175.536 176.870 0.189 0.000 1.008 353 L CA -0.951 53.906 54.840 0.028 0.000 0.818 353 L CB 1.790 43.777 42.059 -0.120 0.000 1.296 353 L HN 0.567 nan 8.230 nan 0.000 0.427 354 Y N 3.355 123.636 120.300 -0.032 0.000 2.298 354 Y HA 0.655 5.206 4.550 0.001 0.000 0.322 354 Y C -1.068 174.771 175.900 -0.101 0.000 1.138 354 Y CA -0.776 57.269 58.100 -0.091 0.000 1.127 354 Y CB 0.871 39.132 38.460 -0.331 0.000 1.178 354 Y HN 0.424 nan 8.280 nan 0.000 0.428 355 I N 2.026 122.180 120.570 -0.694 0.000 3.673 355 I HA 0.706 4.877 4.170 0.001 0.000 0.294 355 I C 0.828 176.546 176.117 -0.665 0.000 1.163 355 I CA -0.893 60.035 61.300 -0.620 0.000 1.138 355 I CB 0.887 38.556 38.000 -0.553 0.000 1.348 355 I HN 0.550 nan 8.210 nan 0.000 0.455 356 G N -0.322 108.172 108.800 -0.510 0.000 2.695 356 G HA2 0.369 4.330 3.960 0.001 0.000 0.219 356 G HA3 0.369 4.330 3.960 0.001 0.000 0.219 356 G C 0.917 175.148 174.900 -1.114 0.000 1.295 356 G CA 0.774 45.457 45.100 -0.695 0.000 0.882 356 G HN 0.838 nan 8.290 nan 0.000 0.570 357 G N -1.278 107.282 108.800 -0.400 0.000 3.738 357 G HA2 0.383 4.344 3.960 0.001 0.000 0.241 357 G HA3 0.383 4.344 3.960 0.001 0.000 0.241 357 G C 0.571 175.505 174.900 0.056 0.000 1.068 357 G CA 0.760 45.790 45.100 -0.117 0.000 0.899 357 G HN 0.454 nan 8.290 nan 0.000 0.519 358 L N -1.018 120.248 121.223 0.071 0.000 2.511 358 L HA 0.489 4.829 4.340 0.001 0.000 0.173 358 L C 2.178 179.004 176.870 -0.073 0.000 1.160 358 L CA 0.485 55.302 54.840 -0.038 0.000 0.964 358 L CB -0.440 41.528 42.059 -0.152 0.000 1.892 358 L HN -0.078 nan 8.230 nan 0.000 0.497 359 R N 0.624 121.064 120.500 -0.101 0.000 2.170 359 R HA -0.111 4.230 4.340 0.001 0.000 0.242 359 R C -0.955 175.186 176.300 -0.265 0.000 1.145 359 R CA 1.874 57.886 56.100 -0.148 0.000 0.984 359 R CB -1.447 28.789 30.300 -0.107 0.000 0.869 359 R HN 0.394 nan 8.270 nan 0.000 0.455 360 P HA -0.182 nan 4.420 nan 0.000 0.220 360 P C 0.701 177.730 177.300 -0.452 0.000 1.148 360 P CA 1.385 64.117 63.100 -0.613 0.000 0.803 360 P CB 0.014 30.958 31.700 -1.260 0.000 0.782 361 R N -2.788 117.538 120.500 -0.290 0.000 2.195 361 R HA 0.099 4.440 4.340 0.001 0.000 0.197 361 R C 1.806 178.085 176.300 -0.034 0.000 0.990 361 R CA 0.436 56.472 56.100 -0.106 0.000 1.048 361 R CB -1.141 29.166 30.300 0.012 0.000 0.997 361 R HN 0.099 nan 8.270 nan 0.000 0.502 362 H N 1.275 120.229 119.070 -0.193 0.000 2.457 362 H HA 0.001 4.558 4.556 0.001 0.000 0.294 362 H C 1.842 176.991 175.328 -0.299 0.000 1.064 362 H CA 1.613 57.557 56.048 -0.174 0.000 1.330 362 H CB 0.427 30.132 29.762 -0.095 0.000 1.395 362 H HN 0.203 nan 8.280 nan 0.000 0.541 363 V N -1.838 117.841 119.914 -0.392 0.000 3.623 363 V HA 0.052 4.173 4.120 0.001 0.000 0.271 363 V C 1.950 177.947 176.094 -0.161 0.000 1.248 363 V CA 0.524 62.512 62.300 -0.519 0.000 1.156 363 V CB -0.649 30.843 31.823 -0.551 0.000 0.870 363 V HN 0.264 nan 8.190 nan 0.000 0.453 364 I N 2.158 122.682 120.570 -0.077 0.000 2.226 364 I HA -0.073 4.098 4.170 0.001 0.000 0.245 364 I C 2.768 178.892 176.117 0.011 0.000 1.100 364 I CA 1.779 63.092 61.300 0.021 0.000 1.374 364 I CB -0.907 37.071 38.000 -0.036 0.000 1.057 364 I HN 0.444 nan 8.210 nan 0.000 0.413 365 G N 0.637 109.392 108.800 -0.075 0.000 2.440 365 G HA2 -0.272 3.688 3.960 0.001 0.000 0.218 365 G HA3 -0.272 3.688 3.960 0.001 0.000 0.218 365 G C 1.857 176.694 174.900 -0.105 0.000 1.154 365 G CA 0.902 45.945 45.100 -0.096 0.000 0.767 365 G HN 0.501 nan 8.290 nan 0.000 0.552 366 A N -0.049 122.665 122.820 -0.176 0.000 1.898 366 A HA 0.054 4.375 4.320 0.001 0.000 0.216 366 A C 2.212 179.815 177.584 0.032 0.000 1.181 366 A CA 1.466 53.379 52.037 -0.207 0.000 0.620 366 A CB -0.595 18.037 19.000 -0.614 0.000 0.819 366 A HN 0.379 nan 8.150 nan 0.000 0.442 367 Y N 0.383 120.761 120.300 0.130 0.000 2.165 367 Y HA -0.187 4.364 4.550 0.001 0.000 0.286 367 Y C 2.483 178.447 175.900 0.106 0.000 1.155 367 Y CA 1.813 60.022 58.100 0.181 0.000 1.164 367 Y CB -0.357 38.156 38.460 0.089 0.000 0.978 367 Y HN 0.436 nan 8.280 nan 0.000 0.513 368 E N -0.338 119.969 120.200 0.179 0.000 2.150 368 E HA -0.189 4.161 4.350 0.001 0.000 0.193 368 E C 1.422 178.079 176.600 0.094 0.000 0.985 368 E CA 1.109 57.571 56.400 0.103 0.000 0.814 368 E CB -0.145 29.581 29.700 0.043 0.000 0.752 368 E HN 0.480 nan 8.360 nan 0.000 0.466 369 D N 0.407 120.857 120.400 0.084 0.000 2.309 369 D HA -0.099 4.541 4.640 0.001 0.000 0.212 369 D C 1.299 177.746 176.300 0.244 0.000 0.968 369 D CA 0.837 54.897 54.000 0.099 0.000 0.882 369 D CB 0.151 40.912 40.800 -0.065 0.000 0.918 369 D HN 0.211 nan 8.370 nan 0.000 0.503 370 L N -0.837 120.537 121.223 0.251 0.000 2.818 370 L HA 0.266 4.606 4.340 0.001 0.000 0.243 370 L C 1.342 178.301 176.870 0.148 0.000 1.185 370 L CA -0.022 54.945 54.840 0.211 0.000 0.988 370 L CB 0.309 42.466 42.059 0.163 0.000 1.292 370 L HN 0.009 nan 8.230 nan 0.000 0.519 371 G N 0.246 109.125 108.800 0.131 0.000 2.162 371 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 371 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 371 G C 0.292 175.241 174.900 0.082 0.000 0.976 371 G CA 0.246 45.402 45.100 0.093 0.000 0.655 371 G HN 0.301 nan 8.290 nan 0.000 0.533 372 M N -0.128 119.540 119.600 0.114 0.000 2.359 372 M HA 0.537 5.018 4.480 0.001 0.000 0.322 372 M C 0.329 176.664 176.300 0.058 0.000 1.166 372 M CA -0.286 55.069 55.300 0.092 0.000 1.067 372 M CB 1.382 34.082 32.600 0.167 0.000 1.523 372 M HN 0.212 nan 8.290 nan 0.000 0.467 373 E N 1.006 121.203 120.200 -0.005 0.000 2.210 373 E HA 0.417 4.768 4.350 0.001 0.000 0.266 373 E C -1.693 174.849 176.600 -0.096 0.000 0.883 373 E CA -0.636 55.744 56.400 -0.033 0.000 0.761 373 E CB 1.859 31.539 29.700 -0.032 0.000 1.156 373 E HN 0.444 nan 8.360 nan 0.000 0.412 374 V N 5.887 125.738 119.914 -0.104 0.000 2.353 374 V HA 0.046 4.167 4.120 0.001 0.000 0.264 374 V C 1.117 177.148 176.094 -0.105 0.000 1.049 374 V CA -0.169 62.040 62.300 -0.152 0.000 0.896 374 V CB 0.718 32.444 31.823 -0.163 0.000 1.025 374 V HN 0.678 nan 8.190 nan 0.000 0.475 375 V N 2.009 121.865 119.914 -0.096 0.000 3.650 375 V HA 0.619 4.739 4.120 0.001 0.000 0.271 375 V C 0.767 176.835 176.094 -0.044 0.000 1.281 375 V CA 0.773 63.033 62.300 -0.066 0.000 1.120 375 V CB 0.078 31.866 31.823 -0.059 0.000 0.856 375 V HN 0.777 nan 8.190 nan 0.000 0.443 376 G N -1.246 107.536 108.800 -0.029 0.000 2.759 376 G HA2 0.561 4.521 3.960 0.001 0.000 0.297 376 G HA3 0.561 4.521 3.960 0.001 0.000 0.297 376 G C -1.291 173.579 174.900 -0.050 0.000 1.434 376 G CA 0.125 45.239 45.100 0.024 0.000 0.980 376 G HN 0.208 nan 8.290 nan 0.000 0.531 377 T N -0.917 113.443 114.554 -0.324 0.000 2.843 377 T HA 0.891 5.242 4.350 0.001 0.000 0.302 377 T C -0.205 173.997 174.700 -0.830 0.000 1.232 377 T CA 0.396 62.249 62.100 -0.412 0.000 1.009 377 T CB 1.847 70.526 68.868 -0.315 0.000 1.254 377 T HN 1.886 nan 8.240 nan 0.000 0.504 378 G N 0.887 109.381 108.800 -0.510 0.000 2.523 378 G HA2 0.583 4.544 3.960 0.001 0.000 0.291 378 G HA3 0.583 4.544 3.960 0.001 0.000 0.291 378 G C -2.587 172.193 174.900 -0.199 0.000 1.450 378 G CA -0.566 44.406 45.100 -0.212 0.000 0.790 378 G HN 0.600 nan 8.290 nan 0.000 0.496 379 Y N -0.244 120.065 120.300 0.016 0.000 2.477 379 Y HA 0.435 4.986 4.550 0.001 0.000 0.347 379 Y C 1.331 177.130 175.900 -0.169 0.000 0.981 379 Y CA -0.801 57.109 58.100 -0.318 0.000 1.033 379 Y CB 2.545 40.797 38.460 -0.346 0.000 1.245 379 Y HN 0.663 nan 8.280 nan 0.000 0.455 380 E N 1.618 121.614 120.200 -0.341 0.000 2.072 380 E HA -0.144 4.207 4.350 0.001 0.000 0.191 380 E C 0.157 176.826 176.600 0.114 0.000 0.985 380 E CA 1.849 58.234 56.400 -0.024 0.000 0.801 380 E CB 0.002 29.698 29.700 -0.007 0.000 0.750 380 E HN 0.678 nan 8.360 nan 0.000 0.452 381 F N -2.541 117.513 119.950 0.175 0.000 2.944 381 F HA 0.551 5.078 4.527 0.001 0.000 0.332 381 F C 0.035 175.947 175.800 0.187 0.000 1.215 381 F CA -0.972 57.124 58.000 0.160 0.000 1.079 381 F CB -0.416 38.647 39.000 0.106 0.000 1.272 381 F HN -0.199 nan 8.300 nan 0.000 0.509 382 A N 1.308 124.119 122.820 -0.014 0.000 2.448 382 A HA 0.389 4.710 4.320 0.001 0.000 0.239 382 A C -0.045 177.693 177.584 0.256 0.000 1.080 382 A CA 0.108 52.065 52.037 -0.135 0.000 0.779 382 A CB -0.068 18.280 19.000 -1.087 0.000 1.026 382 A HN 0.677 nan 8.150 nan 0.000 0.499 383 H N -0.116 118.943 119.070 -0.018 0.000 2.630 383 H HA 0.202 4.758 4.556 0.001 0.000 0.343 383 H C 0.433 175.835 175.328 0.124 0.000 1.232 383 H CA -0.715 55.391 56.048 0.095 0.000 1.294 383 H CB 1.026 30.850 29.762 0.104 0.000 1.746 383 H HN 0.794 nan 8.280 nan 0.000 0.593 384 N N 0.419 119.284 118.700 0.276 0.000 2.381 384 N HA -0.164 4.577 4.740 0.001 0.000 0.182 384 N C 1.068 176.664 175.510 0.144 0.000 1.025 384 N CA 1.177 54.359 53.050 0.219 0.000 0.888 384 N CB -0.023 38.532 38.487 0.114 0.000 0.965 384 N HN 0.572 nan 8.380 nan 0.000 0.438 385 D N 0.161 120.633 120.400 0.120 0.000 2.219 385 D HA -0.155 4.486 4.640 0.001 0.000 0.205 385 D C 0.917 177.171 176.300 -0.078 0.000 0.970 385 D CA 1.062 55.084 54.000 0.037 0.000 0.851 385 D CB -0.327 40.525 40.800 0.088 0.000 0.943 385 D HN 0.198 nan 8.370 nan 0.000 0.488 386 D N -0.114 120.216 120.400 -0.117 0.000 2.097 386 D HA -0.140 4.501 4.640 0.001 0.000 0.197 386 D C 1.929 178.049 176.300 -0.300 0.000 0.984 386 D CA 0.906 54.712 54.000 -0.322 0.000 0.826 386 D CB -0.451 39.963 40.800 -0.643 0.000 0.973 386 D HN 0.306 nan 8.370 nan 0.000 0.460 387 Y N 1.826 122.042 120.300 -0.140 0.000 2.274 387 Y HA -0.145 4.406 4.550 0.001 0.000 0.290 387 Y C 2.149 178.029 175.900 -0.033 0.000 1.145 387 Y CA 0.873 58.945 58.100 -0.046 0.000 1.203 387 Y CB -0.251 38.191 38.460 -0.029 0.000 0.984 387 Y HN -0.103 nan 8.280 nan 0.000 0.533 388 D N 0.007 120.449 120.400 0.070 0.000 2.133 388 D HA -0.172 4.469 4.640 0.001 0.000 0.195 388 D C 1.956 178.244 176.300 -0.020 0.000 0.997 388 D CA 1.386 55.396 54.000 0.016 0.000 0.840 388 D CB -0.300 40.493 40.800 -0.012 0.000 0.947 388 D HN 0.331 nan 8.370 nan 0.000 0.452 389 R N -0.382 120.080 120.500 -0.063 0.000 2.276 389 R HA 0.067 4.407 4.340 0.001 0.000 0.203 389 R C 1.809 178.090 176.300 -0.032 0.000 1.017 389 R CA 0.743 56.797 56.100 -0.076 0.000 1.010 389 R CB 0.156 30.371 30.300 -0.142 0.000 0.900 389 R HN 0.107 nan 8.270 nan 0.000 0.469 390 T N 0.326 114.881 114.554 0.001 0.000 3.010 390 T HA 0.084 4.435 4.350 0.001 0.000 0.252 390 T C 1.725 176.438 174.700 0.022 0.000 1.047 390 T CA 0.495 62.611 62.100 0.026 0.000 1.140 390 T CB 0.119 69.038 68.868 0.086 0.000 0.885 390 T HN 0.096 nan 8.240 nan 0.000 0.464 391 M N 1.781 121.402 119.600 0.035 0.000 2.213 391 M HA -0.064 4.416 4.480 0.001 0.000 0.263 391 M C 2.304 178.602 176.300 -0.002 0.000 1.062 391 M CA 1.373 56.687 55.300 0.022 0.000 1.105 391 M CB -0.437 32.180 32.600 0.029 0.000 1.385 391 M HN 0.275 nan 8.290 nan 0.000 0.417 392 K N -0.241 120.153 120.400 -0.010 0.000 2.296 392 K HA -0.049 4.272 4.320 0.001 0.000 0.200 392 K C 1.113 177.698 176.600 -0.025 0.000 1.048 392 K CA 0.871 57.147 56.287 -0.019 0.000 0.966 392 K CB -0.097 32.389 32.500 -0.024 0.000 0.754 392 K HN 0.270 nan 8.250 nan 0.000 0.466 393 E N 0.424 120.608 120.200 -0.027 0.000 2.299 393 E HA 0.066 4.417 4.350 0.001 0.000 0.193 393 E C 0.606 177.183 176.600 -0.037 0.000 0.998 393 E CA 0.463 56.842 56.400 -0.035 0.000 0.851 393 E CB 0.116 29.792 29.700 -0.039 0.000 0.795 393 E HN 0.319 nan 8.360 nan 0.000 0.492 394 M N 0.525 120.104 119.600 -0.035 0.000 2.367 394 M HA 0.350 4.830 4.480 0.001 0.000 0.339 394 M C 0.788 177.068 176.300 -0.033 0.000 1.177 394 M CA -0.501 54.775 55.300 -0.041 0.000 1.068 394 M CB 1.191 33.763 32.600 -0.047 0.000 1.602 394 M HN -0.139 nan 8.290 nan 0.000 0.457 395 G N 0.831 109.610 108.800 -0.035 0.000 2.634 395 G HA2 0.172 4.133 3.960 0.001 0.000 0.255 395 G HA3 0.172 4.133 3.960 0.001 0.000 0.255 395 G C -0.640 174.243 174.900 -0.029 0.000 1.205 395 G CA -0.353 44.729 45.100 -0.029 0.000 0.884 395 G HN 0.742 nan 8.290 nan 0.000 0.549 396 D N -1.220 119.166 120.400 -0.024 0.000 2.443 396 D HA 0.243 4.884 4.640 0.001 0.000 0.239 396 D C 1.008 177.293 176.300 -0.026 0.000 1.136 396 D CA 1.083 55.069 54.000 -0.023 0.000 0.879 396 D CB 0.436 41.225 40.800 -0.018 0.000 1.195 396 D HN 0.337 nan 8.370 nan 0.000 0.443 397 S N 0.092 115.775 115.700 -0.027 0.000 3.261 397 S HA -0.203 4.267 4.470 0.001 0.000 0.287 397 S C 0.462 175.038 174.600 -0.040 0.000 1.281 397 S CA 0.987 59.168 58.200 -0.031 0.000 1.053 397 S CB -2.472 60.713 63.200 -0.026 0.000 1.251 397 S HN 0.856 nan 8.310 nan 0.000 0.659 398 T N -0.121 114.407 114.554 -0.044 0.000 2.828 398 T HA 0.632 4.982 4.350 0.001 0.000 0.290 398 T C -0.005 174.655 174.700 -0.067 0.000 1.019 398 T CA -0.822 61.246 62.100 -0.054 0.000 1.031 398 T CB 1.179 70.012 68.868 -0.057 0.000 1.001 398 T HN 0.252 nan 8.240 nan 0.000 0.531 399 L N 1.700 122.878 121.223 -0.076 0.000 2.289 399 L HA 0.587 4.928 4.340 0.001 0.000 0.285 399 L C -1.029 175.749 176.870 -0.154 0.000 1.049 399 L CA -0.641 54.142 54.840 -0.094 0.000 0.804 399 L CB 0.349 42.349 42.059 -0.097 0.000 1.195 399 L HN 0.664 nan 8.230 nan 0.000 0.428 400 L N 6.496 127.628 121.223 -0.151 0.000 2.341 400 L HA 0.537 4.878 4.340 0.001 0.000 0.278 400 L C -1.367 175.440 176.870 -0.105 0.000 1.005 400 L CA -0.870 53.842 54.840 -0.214 0.000 0.818 400 L CB 1.432 43.460 42.059 -0.051 0.000 1.259 400 L HN 0.621 nan 8.230 nan 0.000 0.418 401 Y N -0.512 119.890 120.300 0.170 0.000 2.396 401 Y HA 0.597 5.148 4.550 0.001 0.000 0.332 401 Y C -1.106 174.991 175.900 0.329 0.000 1.034 401 Y CA -1.672 56.557 58.100 0.214 0.000 1.057 401 Y CB 1.154 39.748 38.460 0.223 0.000 1.220 401 Y HN 0.475 nan 8.280 nan 0.000 0.440 402 D N 2.620 123.274 120.400 0.424 0.000 2.217 402 D HA 0.268 4.908 4.640 0.001 0.000 0.243 402 D C -0.327 176.210 176.300 0.395 0.000 1.054 402 D CA -0.053 54.228 54.000 0.469 0.000 0.838 402 D CB 1.033 42.044 40.800 0.351 0.000 1.162 402 D HN 0.732 nan 8.370 nan 0.000 0.472 403 D N 2.598 123.247 120.400 0.415 0.000 2.697 403 D HA -0.202 4.439 4.640 0.001 0.000 0.235 403 D C -0.705 175.688 176.300 0.156 0.000 1.167 403 D CA 0.308 54.479 54.000 0.286 0.000 0.656 403 D CB -0.846 40.033 40.800 0.131 0.000 1.025 403 D HN 0.173 nan 8.370 nan 0.000 0.419 404 V N 1.015 120.973 119.914 0.073 0.000 2.872 404 V HA 0.262 4.383 4.120 0.001 0.000 0.307 404 V C 1.355 177.387 176.094 -0.104 0.000 1.072 404 V CA 0.790 63.023 62.300 -0.113 0.000 1.148 404 V CB 1.056 32.557 31.823 -0.536 0.000 0.954 404 V HN 0.539 nan 8.190 nan 0.000 0.490 405 T N 3.279 117.820 114.554 -0.022 0.000 2.874 405 T HA 0.435 4.786 4.350 0.001 0.000 0.281 405 T C 1.318 176.038 174.700 0.033 0.000 0.994 405 T CA -0.060 62.065 62.100 0.041 0.000 1.015 405 T CB 1.390 70.345 68.868 0.144 0.000 1.028 405 T HN 0.894 nan 8.240 nan 0.000 0.523 406 G N -0.258 108.591 108.800 0.082 0.000 2.418 406 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 406 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 406 G C 1.153 176.097 174.900 0.074 0.000 1.158 406 G CA 0.851 46.010 45.100 0.097 0.000 0.771 406 G HN 0.868 nan 8.290 nan 0.000 0.545 407 Y N 1.477 121.757 120.300 -0.032 0.000 2.128 407 Y HA -0.152 4.398 4.550 0.001 0.000 0.284 407 Y C 2.758 178.536 175.900 -0.203 0.000 1.154 407 Y CA 2.372 60.415 58.100 -0.095 0.000 1.149 407 Y CB -0.241 38.168 38.460 -0.084 0.000 0.976 407 Y HN 0.366 nan 8.280 nan 0.000 0.505 408 E N -0.582 119.466 120.200 -0.252 0.000 2.038 408 E HA -0.238 4.113 4.350 0.001 0.000 0.195 408 E C 2.018 178.105 176.600 -0.856 0.000 1.000 408 E CA 1.505 57.466 56.400 -0.731 0.000 0.803 408 E CB -0.529 28.872 29.700 -0.500 0.000 0.750 408 E HN 0.458 nan 8.360 nan 0.000 0.448 409 F N 2.018 121.640 119.950 -0.548 0.000 2.095 409 F HA -0.221 4.307 4.527 0.001 0.000 0.298 409 F C 2.288 177.999 175.800 -0.149 0.000 1.104 409 F CA 1.842 59.637 58.000 -0.342 0.000 1.232 409 F CB -0.342 38.533 39.000 -0.208 0.000 0.987 409 F HN 0.007 nan 8.300 nan 0.000 0.475 410 E N -0.296 119.842 120.200 -0.104 0.000 2.051 410 E HA -0.212 4.139 4.350 0.001 0.000 0.192 410 E C 2.057 178.529 176.600 -0.212 0.000 0.991 410 E CA 1.431 57.765 56.400 -0.111 0.000 0.799 410 E CB -0.074 29.524 29.700 -0.170 0.000 0.748 410 E HN 0.338 nan 8.360 nan 0.000 0.449 411 E N -0.011 119.939 120.200 -0.417 0.000 2.106 411 E HA -0.143 4.208 4.350 0.001 0.000 0.192 411 E C 1.942 178.460 176.600 -0.136 0.000 0.984 411 E CA 0.658 56.835 56.400 -0.371 0.000 0.806 411 E CB -0.287 29.041 29.700 -0.620 0.000 0.750 411 E HN 0.330 nan 8.360 nan 0.000 0.458 412 F N 0.684 120.538 119.950 -0.160 0.000 2.134 412 F HA -0.140 4.388 4.527 0.001 0.000 0.299 412 F C 2.533 178.249 175.800 -0.140 0.000 1.097 412 F CA 0.390 58.321 58.000 -0.115 0.000 1.264 412 F CB -1.315 37.630 39.000 -0.093 0.000 1.001 412 F HN -0.150 nan 8.300 nan 0.000 0.479 413 V N 0.180 120.072 119.914 -0.036 0.000 2.343 413 V HA -0.274 3.847 4.120 0.001 0.000 0.247 413 V C 2.355 178.409 176.094 -0.067 0.000 1.051 413 V CA 1.693 63.905 62.300 -0.145 0.000 1.036 413 V CB -0.602 31.025 31.823 -0.327 0.000 0.654 413 V HN 0.285 nan 8.190 nan 0.000 0.451 414 K N -0.290 120.084 120.400 -0.043 0.000 2.097 414 K HA -0.215 4.106 4.320 0.001 0.000 0.206 414 K C 2.376 178.963 176.600 -0.021 0.000 1.049 414 K CA 1.466 57.733 56.287 -0.033 0.000 0.933 414 K CB -0.153 32.319 32.500 -0.047 0.000 0.717 414 K HN 0.198 nan 8.250 nan 0.000 0.442 415 R N 1.322 121.820 120.500 -0.003 0.000 2.080 415 R HA 0.087 4.428 4.340 0.001 0.000 0.222 415 R C 1.851 178.148 176.300 -0.005 0.000 1.107 415 R CA 1.035 57.139 56.100 0.006 0.000 0.980 415 R CB -0.221 30.101 30.300 0.036 0.000 0.879 415 R HN 0.097 nan 8.270 nan 0.000 0.439 416 I N 0.968 121.533 120.570 -0.008 0.000 2.617 416 I HA -0.068 4.103 4.170 0.001 0.000 0.256 416 I C 0.135 176.225 176.117 -0.045 0.000 1.167 416 I CA 0.527 61.811 61.300 -0.026 0.000 1.469 416 I CB -0.109 37.876 38.000 -0.025 0.000 1.098 416 I HN 0.128 nan 8.210 nan 0.000 0.436 417 K N 0.510 120.877 120.400 -0.055 0.000 3.419 417 K HA -0.147 4.173 4.320 0.001 0.000 0.272 417 K C -2.207 174.342 176.600 -0.085 0.000 0.973 417 K CA -0.228 56.019 56.287 -0.066 0.000 0.749 417 K CB -1.687 30.786 32.500 -0.046 0.000 1.403 417 K HN 0.319 nan 8.250 nan 0.000 0.456 418 P HA -0.022 nan 4.420 nan 0.000 0.271 418 P C 0.046 177.260 177.300 -0.144 0.000 1.233 418 P CA 0.036 63.058 63.100 -0.129 0.000 0.789 418 P CB 0.576 32.179 31.700 -0.161 0.000 0.951 419 D N -0.357 119.958 120.400 -0.141 0.000 2.323 419 D HA 0.079 4.719 4.640 0.001 0.000 0.209 419 D C 0.486 176.662 176.300 -0.207 0.000 0.973 419 D CA 1.024 54.931 54.000 -0.156 0.000 0.874 419 D CB 0.223 40.954 40.800 -0.114 0.000 0.930 419 D HN 0.144 nan 8.370 nan 0.000 0.521 420 L N 0.243 121.338 121.223 -0.214 0.000 2.545 420 L HA 0.392 4.732 4.340 0.001 0.000 0.258 420 L C -1.942 174.773 176.870 -0.258 0.000 0.942 420 L CA -0.585 54.114 54.840 -0.236 0.000 0.855 420 L CB 2.347 44.288 42.059 -0.196 0.000 1.374 420 L HN -0.267 nan 8.230 nan 0.000 0.411 421 I N 2.778 123.174 120.570 -0.290 0.000 2.474 421 I HA 0.696 4.866 4.170 0.001 0.000 0.294 421 I C 0.237 176.030 176.117 -0.541 0.000 1.005 421 I CA -0.583 60.510 61.300 -0.346 0.000 1.113 421 I CB 2.160 39.950 38.000 -0.350 0.000 1.289 421 I HN 0.780 nan 8.210 nan 0.000 0.436 422 G N 3.251 111.821 108.800 -0.383 0.000 2.588 422 G HA2 0.590 4.551 3.960 0.001 0.000 0.312 422 G HA3 0.590 4.551 3.960 0.001 0.000 0.312 422 G C -0.800 173.979 174.900 -0.200 0.000 1.257 422 G CA -0.135 44.752 45.100 -0.355 0.000 0.994 422 G HN 0.571 nan 8.290 nan 0.000 0.498 423 S N 0.882 116.444 115.700 -0.230 0.000 3.211 423 S HA 0.858 5.329 4.470 0.001 0.000 0.320 423 S C 0.392 175.309 174.600 0.529 0.000 1.225 423 S CA 0.214 58.574 58.200 0.266 0.000 1.044 423 S CB 0.710 64.233 63.200 0.538 0.000 1.410 423 S HN 1.085 nan 8.310 nan 0.000 0.640 424 G N 0.544 109.729 108.800 0.641 0.000 2.753 424 G HA2 0.533 4.494 3.960 0.001 0.000 0.285 424 G HA3 0.533 4.494 3.960 0.001 0.000 0.285 424 G C 0.499 175.575 174.900 0.294 0.000 1.344 424 G CA -0.346 45.015 45.100 0.435 0.000 1.050 424 G HN 0.591 nan 8.290 nan 0.000 0.532 425 I N -0.545 120.091 120.570 0.110 0.000 2.361 425 I HA -0.028 4.143 4.170 0.001 0.000 0.251 425 I C 2.425 178.569 176.117 0.044 0.000 1.133 425 I CA 1.446 62.778 61.300 0.053 0.000 1.413 425 I CB -0.020 38.046 38.000 0.108 0.000 1.073 425 I HN 0.465 nan 8.210 nan 0.000 0.424 426 K N -0.091 120.365 120.400 0.094 0.000 2.432 426 K HA -0.078 4.243 4.320 0.001 0.000 0.196 426 K C 1.473 178.130 176.600 0.095 0.000 1.038 426 K CA 0.872 57.223 56.287 0.106 0.000 0.986 426 K CB 0.091 32.658 32.500 0.113 0.000 0.782 426 K HN 0.321 nan 8.250 nan 0.000 0.485 427 E N 0.625 120.894 120.200 0.115 0.000 2.290 427 E HA -0.019 4.332 4.350 0.001 0.000 0.197 427 E C 1.528 177.948 176.600 -0.300 0.000 0.948 427 E CA 0.371 56.862 56.400 0.153 0.000 0.895 427 E CB 0.151 30.238 29.700 0.643 0.000 0.865 427 E HN 0.114 nan 8.360 nan 0.000 0.486 428 K N 0.500 120.392 120.400 -0.847 0.000 2.015 428 K HA -0.205 4.116 4.320 0.001 0.000 0.216 428 K C 1.314 177.332 176.600 -0.971 0.000 1.052 428 K CA 1.810 57.010 56.287 -1.811 0.000 0.937 428 K CB -0.268 31.351 32.500 -1.468 0.000 0.719 428 K HN 0.082 nan 8.250 nan 0.000 0.446 429 F N 0.891 120.664 119.950 -0.295 0.000 2.407 429 F HA 0.029 4.557 4.527 0.001 0.000 0.299 429 F C 1.984 177.678 175.800 -0.177 0.000 1.097 429 F CA 0.512 58.418 58.000 -0.157 0.000 1.422 429 F CB -0.260 38.690 39.000 -0.084 0.000 1.067 429 F HN 0.019 nan 8.300 nan 0.000 0.539 430 I N -0.853 119.608 120.570 -0.181 0.000 2.142 430 I HA -0.305 3.866 4.170 0.001 0.000 0.240 430 I C 2.076 177.942 176.117 -0.418 0.000 1.078 430 I CA 1.583 62.652 61.300 -0.384 0.000 1.343 430 I CB -0.570 37.022 38.000 -0.682 0.000 1.046 430 I HN -0.011 nan 8.210 nan 0.000 0.405 431 F N 0.825 120.724 119.950 -0.085 0.000 2.259 431 F HA -0.108 4.419 4.527 0.001 0.000 0.298 431 F C 2.653 178.467 175.800 0.023 0.000 1.088 431 F CA 0.899 58.875 58.000 -0.041 0.000 1.358 431 F CB -0.787 38.222 39.000 0.016 0.000 1.040 431 F HN 0.075 nan 8.300 nan 0.000 0.505 432 Q N 0.401 120.313 119.800 0.187 0.000 2.170 432 Q HA -0.188 4.153 4.340 0.001 0.000 0.203 432 Q C 2.001 178.184 176.000 0.306 0.000 0.976 432 Q CA 1.249 57.266 55.803 0.355 0.000 0.858 432 Q CB -0.264 28.708 28.738 0.390 0.000 0.907 432 Q HN 0.427 nan 8.270 nan 0.000 0.433 433 K N 0.280 120.773 120.400 0.154 0.000 2.147 433 K HA -0.064 4.257 4.320 0.001 0.000 0.205 433 K C 1.769 178.426 176.600 0.095 0.000 1.049 433 K CA 1.038 57.388 56.287 0.104 0.000 0.936 433 K CB 0.011 32.534 32.500 0.037 0.000 0.722 433 K HN 0.228 nan 8.250 nan 0.000 0.446 434 M N -0.544 119.108 119.600 0.087 0.000 2.619 434 M HA 0.047 4.527 4.480 0.001 0.000 0.251 434 M C 0.824 177.189 176.300 0.107 0.000 1.106 434 M CA 0.776 56.122 55.300 0.077 0.000 1.086 434 M CB 0.481 33.127 32.600 0.076 0.000 1.465 434 M HN 0.405 nan 8.290 nan 0.000 0.506 435 G N 1.764 110.680 108.800 0.193 0.000 2.136 435 G HA2 -0.229 3.732 3.960 0.001 0.000 0.242 435 G HA3 -0.229 3.732 3.960 0.001 0.000 0.242 435 G C -0.040 174.838 174.900 -0.038 0.000 0.989 435 G CA -0.365 44.886 45.100 0.252 0.000 0.682 435 G HN 0.475 nan 8.290 nan 0.000 0.522 436 I N 1.417 121.890 120.570 -0.161 0.000 2.312 436 I HA 0.298 4.469 4.170 0.001 0.000 0.290 436 I C -2.007 173.689 176.117 -0.703 0.000 1.008 436 I CA -2.551 58.530 61.300 -0.365 0.000 1.226 436 I CB 1.663 39.581 38.000 -0.137 0.000 1.371 436 I HN -0.174 nan 8.210 nan 0.000 0.468 437 P HA -0.061 nan 4.420 nan 0.000 0.263 437 P C -0.994 176.168 177.300 -0.230 0.000 1.175 437 P CA 0.419 62.972 63.100 -0.913 0.000 0.761 437 P CB 0.216 31.472 31.700 -0.740 0.000 0.794 438 F N 3.936 123.819 119.950 -0.111 0.000 2.529 438 F HA 0.517 5.045 4.527 0.001 0.000 0.320 438 F C -0.302 175.539 175.800 0.069 0.000 1.118 438 F CA -0.789 57.214 58.000 0.005 0.000 0.915 438 F CB 1.530 40.568 39.000 0.064 0.000 1.161 438 F HN 0.054 nan 8.300 nan 0.000 0.445 439 R N 4.078 124.400 120.500 -0.297 0.000 2.534 439 R HA 0.269 4.609 4.340 0.001 0.000 0.301 439 R C -0.883 175.335 176.300 -0.137 0.000 0.961 439 R CA -0.833 55.243 56.100 -0.040 0.000 0.871 439 R CB 1.798 32.112 30.300 0.023 0.000 1.170 439 R HN 0.758 nan 8.270 nan 0.000 0.446 440 E N 3.191 123.512 120.200 0.202 0.000 2.299 440 E HA 0.055 4.406 4.350 0.001 0.000 0.272 440 E C 0.528 177.295 176.600 0.277 0.000 1.043 440 E CA 0.181 56.739 56.400 0.264 0.000 0.895 440 E CB 0.718 30.529 29.700 0.184 0.000 1.011 440 E HN 0.188 nan 8.360 nan 0.000 0.432 441 M N 2.595 122.345 119.600 0.249 0.000 2.404 441 M HA 0.090 4.571 4.480 0.001 0.000 0.271 441 M C 0.722 176.978 176.300 -0.073 0.000 1.128 441 M CA 0.344 55.824 55.300 0.300 0.000 0.982 441 M CB -0.315 32.420 32.600 0.225 0.000 1.445 441 M HN 0.561 nan 8.290 nan 0.000 0.495 442 H N -0.886 118.088 119.070 -0.161 0.000 2.348 442 H HA 0.165 4.721 4.556 0.001 0.000 0.313 442 H C 1.739 176.710 175.328 -0.595 0.000 1.051 442 H CA 1.399 57.237 56.048 -0.350 0.000 1.420 442 H CB 0.099 29.769 29.762 -0.154 0.000 1.484 442 H HN 0.346 nan 8.280 nan 0.000 0.609 443 S N -0.279 115.301 115.700 -0.200 0.000 2.593 443 S HA -0.090 4.381 4.470 0.001 0.000 0.217 443 S C 0.261 174.711 174.600 -0.250 0.000 0.966 443 S CA -0.201 57.829 58.200 -0.283 0.000 0.914 443 S CB -0.888 62.188 63.200 -0.207 0.000 0.776 443 S HN 0.667 nan 8.310 nan 0.000 0.523 444 W N 1.101 122.281 121.300 -0.199 0.000 3.904 444 W HA -0.220 4.440 4.660 0.001 0.000 0.312 444 W C -0.018 176.354 176.519 -0.246 0.000 1.159 444 W CA 0.042 57.206 57.345 -0.302 0.000 0.704 444 W CB -2.494 26.569 29.460 -0.662 0.000 2.209 444 W HN 0.313 nan 8.180 nan 0.000 1.468 445 D N -1.097 119.196 120.400 -0.178 0.000 2.772 445 D HA -0.255 4.385 4.640 0.001 0.000 0.233 445 D C 0.145 176.219 176.300 -0.377 0.000 1.143 445 D CA 2.299 56.058 54.000 -0.402 0.000 0.700 445 D CB -1.379 39.430 40.800 0.015 0.000 1.076 445 D HN 0.615 nan 8.370 nan 0.000 0.430 446 Y N -3.462 116.937 120.300 0.166 0.000 4.729 446 Y HA -0.278 4.273 4.550 0.001 0.000 0.239 446 Y C 1.100 177.089 175.900 0.149 0.000 1.043 446 Y CA 0.988 59.176 58.100 0.148 0.000 2.045 446 Y CB -2.177 36.373 38.460 0.149 0.000 1.599 446 Y HN 0.199 nan 8.280 nan 0.000 0.655 447 S N -0.936 114.854 115.700 0.151 0.000 2.841 447 S HA 0.864 5.335 4.470 0.001 0.000 0.274 447 S C 0.761 175.383 174.600 0.037 0.000 1.044 447 S CA 0.545 58.823 58.200 0.129 0.000 0.952 447 S CB 1.417 64.704 63.200 0.147 0.000 1.331 447 S HN 1.779 nan 8.310 nan 0.000 0.610 448 G N 1.026 109.797 108.800 -0.047 0.000 2.757 448 G HA2 -0.081 3.879 3.960 0.001 0.000 0.638 448 G HA3 -0.081 3.879 3.960 0.001 0.000 0.638 448 G C -3.073 171.852 174.900 0.042 0.000 1.344 448 G CA -0.396 44.606 45.100 -0.164 0.000 0.855 448 G HN 0.666 nan 8.290 nan 0.000 0.537 449 P HA 0.334 nan 4.420 nan 0.000 0.274 449 P C -0.211 177.091 177.300 0.003 0.000 1.246 449 P CA -0.019 63.065 63.100 -0.027 0.000 0.795 449 P CB 0.509 32.238 31.700 0.047 0.000 1.006 450 Y N -1.767 118.320 120.300 -0.355 0.000 2.481 450 Y HA 0.155 4.706 4.550 0.001 0.000 0.258 450 Y C 1.475 177.303 175.900 -0.120 0.000 1.103 450 Y CA -0.336 57.561 58.100 -0.340 0.000 1.287 450 Y CB -0.978 37.039 38.460 -0.739 0.000 1.108 450 Y HN 0.406 nan 8.280 nan 0.000 0.529 451 H N -0.275 118.726 119.070 -0.115 0.000 2.629 451 H HA 0.419 4.976 4.556 0.001 0.000 0.357 451 H C 1.016 176.237 175.328 -0.178 0.000 1.121 451 H CA 0.219 56.105 56.048 -0.271 0.000 1.406 451 H CB 0.807 30.422 29.762 -0.246 0.000 1.456 451 H HN 0.348 nan 8.280 nan 0.000 0.579 452 G N 0.882 109.562 108.800 -0.201 0.000 2.741 452 G HA2 -0.310 3.651 3.960 0.001 0.000 0.222 452 G HA3 -0.310 3.651 3.960 0.001 0.000 0.222 452 G C 0.053 174.716 174.900 -0.396 0.000 1.364 452 G CA 0.017 44.829 45.100 -0.480 0.000 0.866 452 G HN 0.476 nan 8.290 nan 0.000 0.555 453 F N 0.224 119.993 119.950 -0.302 0.000 2.146 453 F HA 0.071 4.599 4.527 0.001 0.000 0.298 453 F C 2.614 178.451 175.800 0.061 0.000 1.096 453 F CA 1.854 59.768 58.000 -0.144 0.000 1.275 453 F CB -0.392 38.428 39.000 -0.301 0.000 1.008 453 F HN 0.404 nan 8.300 nan 0.000 0.480 454 D N -0.121 120.400 120.400 0.202 0.000 2.144 454 D HA -0.106 4.534 4.640 0.001 0.000 0.199 454 D C 2.536 178.947 176.300 0.186 0.000 0.984 454 D CA 1.429 55.560 54.000 0.217 0.000 0.834 454 D CB -0.893 40.025 40.800 0.197 0.000 0.955 454 D HN 0.329 nan 8.370 nan 0.000 0.465 455 G N -0.034 108.854 108.800 0.146 0.000 2.422 455 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 455 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 455 G C 1.430 176.426 174.900 0.161 0.000 1.140 455 G CA 0.122 45.310 45.100 0.147 0.000 0.775 455 G HN 0.228 nan 8.290 nan 0.000 0.545 456 F N 2.543 122.497 119.950 0.006 0.000 2.171 456 F HA 0.087 4.615 4.527 0.001 0.000 0.300 456 F C 2.681 178.527 175.800 0.077 0.000 1.090 456 F CA 0.906 58.909 58.000 0.006 0.000 1.293 456 F CB -0.308 38.700 39.000 0.014 0.000 1.013 456 F HN 0.221 nan 8.300 nan 0.000 0.486 457 A N 0.780 123.641 122.820 0.069 0.000 1.908 457 A HA -0.175 4.146 4.320 0.001 0.000 0.218 457 A C 2.294 179.795 177.584 -0.138 0.000 1.181 457 A CA 2.148 54.164 52.037 -0.035 0.000 0.627 457 A CB -1.211 17.863 19.000 0.124 0.000 0.818 457 A HN 0.483 nan 8.150 nan 0.000 0.445 458 I N -1.992 118.561 120.570 -0.030 0.000 2.252 458 I HA -0.188 3.983 4.170 0.001 0.000 0.245 458 I C 2.336 178.359 176.117 -0.156 0.000 1.102 458 I CA 1.455 62.750 61.300 -0.009 0.000 1.385 458 I CB -0.420 37.670 38.000 0.150 0.000 1.064 458 I HN 0.435 nan 8.210 nan 0.000 0.414 459 F N 2.123 121.748 119.950 -0.542 0.000 2.091 459 F HA -0.302 4.226 4.527 0.001 0.000 0.299 459 F C 2.489 177.824 175.800 -0.775 0.000 1.103 459 F CA 1.683 59.048 58.000 -1.058 0.000 1.228 459 F CB -0.385 37.961 39.000 -1.090 0.000 0.984 459 F HN 0.011 nan 8.300 nan 0.000 0.477 460 A N 0.792 123.120 122.820 -0.820 0.000 1.902 460 A HA -0.213 4.108 4.320 0.001 0.000 0.217 460 A C 2.436 179.350 177.584 -1.116 0.000 1.181 460 A CA 1.716 53.164 52.037 -0.982 0.000 0.623 460 A CB -0.973 17.475 19.000 -0.920 0.000 0.818 460 A HN 0.510 nan 8.150 nan 0.000 0.443 461 R N -0.363 119.531 120.500 -1.010 0.000 2.091 461 R HA -0.197 4.143 4.340 0.001 0.000 0.238 461 R C 1.350 177.396 176.300 -0.424 0.000 1.136 461 R CA 2.061 57.702 56.100 -0.765 0.000 0.959 461 R CB -0.423 29.690 30.300 -0.312 0.000 0.856 461 R HN 0.453 nan 8.270 nan 0.000 0.437 462 D N 0.112 120.292 120.400 -0.366 0.000 2.117 462 D HA -0.148 4.493 4.640 0.001 0.000 0.198 462 D C 1.982 178.136 176.300 -0.244 0.000 0.982 462 D CA 1.156 55.035 54.000 -0.203 0.000 0.828 462 D CB -0.112 40.644 40.800 -0.074 0.000 0.967 462 D HN 0.202 nan 8.370 nan 0.000 0.464 463 M N 0.470 119.781 119.600 -0.482 0.000 2.159 463 M HA -0.118 4.362 4.480 0.001 0.000 0.263 463 M C 1.839 178.011 176.300 -0.213 0.000 1.063 463 M CA 1.181 56.251 55.300 -0.382 0.000 1.110 463 M CB -1.009 31.231 32.600 -0.600 0.000 1.374 463 M HN 0.014 nan 8.290 nan 0.000 0.411 464 D N 0.707 120.964 120.400 -0.239 0.000 2.084 464 D HA -0.190 4.451 4.640 0.001 0.000 0.194 464 D C 2.166 178.471 176.300 0.008 0.000 0.990 464 D CA 1.918 55.874 54.000 -0.073 0.000 0.826 464 D CB -0.121 40.683 40.800 0.007 0.000 0.971 464 D HN 0.443 nan 8.370 nan 0.000 0.453 465 M N -0.996 118.599 119.600 -0.007 0.000 2.149 465 M HA -0.100 4.380 4.480 0.001 0.000 0.261 465 M C 1.727 178.100 176.300 0.122 0.000 1.064 465 M CA 1.804 57.142 55.300 0.062 0.000 1.102 465 M CB -0.465 32.168 32.600 0.056 0.000 1.369 465 M HN -0.146 nan 8.290 nan 0.000 0.408 466 T N 1.323 115.951 114.554 0.123 0.000 2.814 466 T HA 0.100 4.451 4.350 0.001 0.000 0.254 466 T C 1.816 176.686 174.700 0.283 0.000 1.037 466 T CA 1.138 63.390 62.100 0.252 0.000 1.143 466 T CB -0.248 68.737 68.868 0.196 0.000 0.866 466 T HN 0.420 nan 8.240 nan 0.000 0.431 467 L N 1.374 122.652 121.223 0.091 0.000 2.079 467 L HA -0.064 4.277 4.340 0.001 0.000 0.210 467 L C 1.314 178.254 176.870 0.117 0.000 1.081 467 L CA 1.316 56.166 54.840 0.018 0.000 0.752 467 L CB -0.123 41.914 42.059 -0.036 0.000 0.896 467 L HN 0.186 nan 8.230 nan 0.000 0.433 468 N N -0.096 118.694 118.700 0.151 0.000 2.251 468 N HA 0.014 4.754 4.740 0.001 0.000 0.217 468 N C -0.149 175.479 175.510 0.196 0.000 1.124 468 N CA 0.011 53.155 53.050 0.156 0.000 0.843 468 N CB -0.226 38.321 38.487 0.101 0.000 1.024 468 N HN 0.341 nan 8.380 nan 0.000 0.501 469 N N 2.234 121.109 118.700 0.291 0.000 2.492 469 N HA 0.041 4.781 4.740 0.001 0.000 0.260 469 N C -1.484 174.078 175.510 0.086 0.000 1.215 469 N CA -1.014 52.132 53.050 0.160 0.000 0.923 469 N CB 1.686 40.234 38.487 0.102 0.000 1.092 469 N HN -0.021 nan 8.380 nan 0.000 0.448 470 P HA -0.071 nan 4.420 nan 0.000 0.222 470 P C 1.537 178.778 177.300 -0.099 0.000 1.147 470 P CA 0.813 63.904 63.100 -0.014 0.000 0.790 470 P CB -0.287 31.404 31.700 -0.016 0.000 0.780 471 C N -3.429 115.704 119.300 -0.278 0.000 2.419 471 C HA 0.006 4.467 4.460 0.001 0.000 0.281 471 C C 2.378 177.142 174.990 -0.376 0.000 1.336 471 C CA -0.465 58.310 59.018 -0.405 0.000 1.770 471 C CB -2.459 24.897 27.740 -0.641 0.000 1.929 471 C HN 0.218 nan 8.230 nan 0.000 0.509 472 W N 1.300 122.617 121.300 0.028 0.000 2.699 472 W HA 0.125 4.785 4.660 0.001 0.000 0.249 472 W C 2.235 178.761 176.519 0.011 0.000 1.280 472 W CA -0.011 57.349 57.345 0.024 0.000 1.345 472 W CB -0.213 29.265 29.460 0.029 0.000 1.128 472 W HN 0.184 nan 8.180 nan 0.000 0.642 473 K N 0.511 120.999 120.400 0.146 0.000 2.404 473 K HA 0.052 4.373 4.320 0.001 0.000 0.194 473 K C 0.980 177.601 176.600 0.034 0.000 1.023 473 K CA 0.604 56.944 56.287 0.088 0.000 1.094 473 K CB 0.230 32.768 32.500 0.064 0.000 0.841 473 K HN 0.070 nan 8.250 nan 0.000 0.523 474 K N 0.477 120.882 120.400 0.008 0.000 2.414 474 K HA 0.184 4.504 4.320 0.001 0.000 0.204 474 K C 1.274 177.850 176.600 -0.040 0.000 1.026 474 K CA -0.079 56.190 56.287 -0.030 0.000 1.108 474 K CB 0.449 32.916 32.500 -0.054 0.000 0.855 474 K HN -0.025 nan 8.250 nan 0.000 0.517 475 L N 0.642 121.863 121.223 -0.003 0.000 2.240 475 L HA 0.027 4.368 4.340 0.001 0.000 0.211 475 L C 1.210 178.044 176.870 -0.060 0.000 1.106 475 L CA 1.188 56.022 54.840 -0.010 0.000 0.793 475 L CB -0.181 41.910 42.059 0.054 0.000 0.927 475 L HN 0.176 nan 8.230 nan 0.000 0.446 476 Q N 0.591 120.346 119.800 -0.076 0.000 2.274 476 Q HA 0.516 4.857 4.340 0.001 0.000 0.256 476 Q C -0.187 175.666 176.000 -0.245 0.000 0.927 476 Q CA -0.494 55.228 55.803 -0.136 0.000 0.939 476 Q CB 1.221 29.902 28.738 -0.095 0.000 1.201 476 Q HN 0.294 nan 8.270 nan 0.000 0.426 477 A N 5.685 128.257 122.820 -0.415 0.000 2.498 477 A HA 0.214 4.535 4.320 0.001 0.000 0.239 477 A C -1.719 175.473 177.584 -0.653 0.000 1.068 477 A CA -1.124 50.442 52.037 -0.786 0.000 0.766 477 A CB -0.025 18.112 19.000 -1.438 0.000 1.003 477 A HN 0.793 nan 8.150 nan 0.000 0.497 478 P HA -0.091 nan 4.420 nan 0.000 0.226 478 P C 0.716 178.016 177.300 0.001 0.000 1.153 478 P CA 1.312 64.330 63.100 -0.137 0.000 0.777 478 P CB -0.110 31.599 31.700 0.016 0.000 0.794 479 W N -0.587 120.718 121.300 0.009 0.000 3.290 479 W HA 0.366 5.026 4.660 0.001 0.000 0.287 479 W C -0.434 176.090 176.519 0.009 0.000 1.288 479 W CA -0.252 57.098 57.345 0.008 0.000 1.725 479 W CB -0.297 29.167 29.460 0.006 0.000 1.103 479 W HN -0.231 nan 8.180 nan 0.000 0.670 480 E N 0.000 120.079 120.200 -0.202 0.000 2.725 480 E HA 0.000 4.351 4.350 0.001 0.000 0.291 480 E CA 0.000 56.306 56.400 -0.157 0.000 0.976 480 E CB 0.000 29.701 29.700 0.002 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440