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 2iw5_1_A DATA FIRST_RESID 171 DATA SEQUENCE PSGVEGAAFQ SRLPHDRMTS QEAACFPDII SGPQQTQKVF LFIRNRTLQL DATA SEQUENCE WLDNPKIQLT FEATLQQLEA PYNSDTVLVH RVHSYLERHG LINFGIYKRI DATA SEQUENCE KPLPTKKTGK VIIIGSGVSG LAAARQLQSF GMDVTLLEAR DRVGGRVATF DATA SEQUENCE RKGNYVADLG AMVVTGLGGN PMAVVSKQVN MELAKIKQKC PLYEANGQAV DATA SEQUENCE PKEKDEMVEQ EFNRLLEATS YLSHQLDFNV LNNKPVSLGQ ALEVVIQLQE DATA SEQUENCE KHVKDEQIEH WKKIVKTQEE LKELLNKMVN LKEKIKELHQ QYKEASEVKP DATA SEQUENCE PRDITAEFLV KSKHRDLTAL CKEYDELAET QGKLEEKLQE LEANPPSDVY DATA SEQUENCE LSSRDRQILD WHFANLEFAN ATPLSTLSLK HWDQDDDFEF TGSHLTVRNG DATA SEQUENCE YSCVPVALAE GLDIKLNTAV RQVRYTASGC EVIAVNTRST SQTFIYKCDA DATA SEQUENCE VLCTLPLGVL KQQPPAVQFV PPLPEWKTSA VQRMGFGNLN KVVLCFDRVF DATA SEQUENCE WDPSVNLFGH VGSTTASRGE LFLFWNLYKA PILLALVAGE AAGIMENISD DATA SEQUENCE DVIVGRCLAI LKGIFGSSAV PQPKETVVSR WRADPWARGS YSYVAAGSSG DATA SEQUENCE NDYDLMAQPI TPGPSIPGAP QPIPRLFFAG EHTIRNYPAT VHGALLSGLR DATA SEQUENCE EAGRIADQFL GAMYTL 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 171 P HA 0.000 nan 4.420 nan 0.000 0.216 171 P C 0.000 177.193 177.300 -0.178 0.000 1.155 171 P CA 0.000 62.929 63.100 -0.285 0.000 0.800 171 P CB 0.000 31.410 31.700 -0.482 0.000 0.726 172 S N 0.046 115.671 115.700 -0.125 0.000 2.751 172 S HA 0.909 5.379 4.470 0.000 0.000 0.310 172 S C 0.571 175.131 174.600 -0.067 0.000 1.128 172 S CA 0.214 58.365 58.200 -0.081 0.000 0.931 172 S CB 1.689 64.848 63.200 -0.067 0.000 1.177 172 S HN 1.547 nan 8.310 nan 0.000 0.530 173 G N 0.032 108.803 108.800 -0.048 0.000 2.550 173 G HA2 -0.285 3.675 3.960 0.000 0.000 0.277 173 G HA3 -0.285 3.675 3.960 0.000 0.000 0.277 173 G C 0.899 175.772 174.900 -0.046 0.000 1.190 173 G CA 1.345 46.423 45.100 -0.038 0.000 0.971 173 G HN 2.054 nan 8.290 nan 0.000 0.559 174 V N -1.973 117.913 119.914 -0.048 0.000 2.719 174 V HA 0.175 4.296 4.120 0.000 0.000 0.252 174 V C 2.203 178.269 176.094 -0.046 0.000 1.065 174 V CA 2.738 64.990 62.300 -0.081 0.000 1.086 174 V CB -0.521 31.214 31.823 -0.147 0.000 0.700 174 V HN 0.721 nan 8.190 nan 0.000 0.467 175 E N 1.500 121.662 120.200 -0.064 0.000 2.152 175 E HA 0.014 4.364 4.350 0.000 0.000 0.192 175 E C 2.295 178.882 176.600 -0.022 0.000 0.983 175 E CA 1.080 57.411 56.400 -0.114 0.000 0.818 175 E CB -0.474 29.018 29.700 -0.347 0.000 0.758 175 E HN 0.712 nan 8.360 nan 0.000 0.467 176 G N 1.186 109.972 108.800 -0.025 0.000 2.408 176 G HA2 -0.245 3.716 3.960 0.000 0.000 0.217 176 G HA3 -0.245 3.716 3.960 0.000 0.000 0.217 176 G C 1.672 176.639 174.900 0.110 0.000 1.150 176 G CA 0.745 45.862 45.100 0.028 0.000 0.776 176 G HN 0.334 nan 8.290 nan 0.000 0.542 177 A N 1.194 124.046 122.820 0.054 0.000 1.902 177 A HA 0.260 4.580 4.320 0.000 0.000 0.217 177 A C 2.809 180.448 177.584 0.092 0.000 1.181 177 A CA 2.249 54.321 52.037 0.057 0.000 0.623 177 A CB -0.767 18.237 19.000 0.006 0.000 0.818 177 A HN 0.727 nan 8.150 nan 0.000 0.443 178 A N -0.993 121.892 122.820 0.107 0.000 1.858 178 A HA -0.050 4.270 4.320 0.000 0.000 0.216 178 A C 2.083 179.769 177.584 0.169 0.000 1.190 178 A CA 1.597 53.715 52.037 0.134 0.000 0.617 178 A CB -0.843 18.265 19.000 0.180 0.000 0.827 178 A HN 0.749 nan 8.150 nan 0.000 0.443 179 F N 0.610 120.599 119.950 0.065 0.000 2.120 179 F HA -0.252 4.275 4.527 0.000 0.000 0.300 179 F C 2.310 178.142 175.800 0.054 0.000 1.095 179 F CA 2.367 60.410 58.000 0.071 0.000 1.249 179 F CB -0.198 38.830 39.000 0.047 0.000 0.995 179 F HN 0.315 nan 8.300 nan 0.000 0.480 180 Q N 0.150 120.040 119.800 0.151 0.000 2.369 180 Q HA -0.053 4.288 4.340 0.000 0.000 0.206 180 Q C 1.525 177.492 176.000 -0.055 0.000 0.963 180 Q CA 1.592 57.403 55.803 0.013 0.000 0.894 180 Q CB -0.337 28.458 28.738 0.095 0.000 0.965 180 Q HN 0.331 nan 8.270 nan 0.000 0.475 181 S N -0.223 115.474 115.700 -0.005 0.000 2.557 181 S HA 0.251 4.722 4.470 0.000 0.000 0.223 181 S C -0.391 174.201 174.600 -0.013 0.000 0.969 181 S CA -0.143 58.061 58.200 0.006 0.000 0.927 181 S CB 0.135 63.369 63.200 0.056 0.000 0.806 181 S HN 0.443 nan 8.310 nan 0.000 0.489 182 R N 0.554 121.024 120.500 -0.050 0.000 3.531 182 R HA -0.131 4.209 4.340 0.000 0.000 0.280 182 R C -1.005 175.344 176.300 0.081 0.000 1.130 182 R CA 0.480 56.589 56.100 0.016 0.000 0.757 182 R CB -2.198 28.164 30.300 0.103 0.000 1.218 182 R HN 0.354 nan 8.270 nan 0.000 0.454 183 L N 0.641 121.914 121.223 0.083 0.000 2.354 183 L HA 0.613 4.953 4.340 0.000 0.000 0.269 183 L C -1.925 175.028 176.870 0.139 0.000 1.005 183 L CA -2.477 52.429 54.840 0.111 0.000 0.819 183 L CB 1.758 43.878 42.059 0.102 0.000 1.311 183 L HN -0.194 nan 8.230 nan 0.000 0.423 184 P HA 0.094 nan 4.420 nan 0.000 0.276 184 P C -0.187 177.167 177.300 0.090 0.000 1.243 184 P CA -0.154 63.008 63.100 0.103 0.000 0.768 184 P CB 0.595 32.325 31.700 0.051 0.000 0.856 185 H N 2.101 121.228 119.070 0.095 0.000 2.423 185 H HA -0.109 4.447 4.556 0.000 0.000 0.297 185 H C 0.529 175.901 175.328 0.074 0.000 1.075 185 H CA 1.661 57.755 56.048 0.077 0.000 1.342 185 H CB -0.440 29.368 29.762 0.077 0.000 1.395 185 H HN 0.281 nan 8.280 nan 0.000 0.530 186 D N -0.694 119.407 120.400 -0.498 0.000 2.424 186 D HA 0.182 4.822 4.640 0.000 0.000 0.220 186 D C 0.253 176.487 176.300 -0.110 0.000 1.150 186 D CA -0.411 53.417 54.000 -0.286 0.000 0.831 186 D CB 0.263 40.794 40.800 -0.449 0.000 0.981 186 D HN 0.361 nan 8.370 nan 0.000 0.500 187 R N -0.310 120.158 120.500 -0.052 0.000 2.643 187 R HA 0.457 4.798 4.340 0.000 0.000 0.269 187 R C -1.122 175.206 176.300 0.047 0.000 1.037 187 R CA -0.676 55.423 56.100 -0.002 0.000 0.894 187 R CB 1.692 31.981 30.300 -0.018 0.000 1.238 187 R HN -0.022 nan 8.270 nan 0.000 0.459 188 M N 2.523 122.151 119.600 0.047 0.000 2.216 188 M HA 0.212 4.692 4.480 0.000 0.000 0.356 188 M C 0.591 176.916 176.300 0.041 0.000 1.205 188 M CA -0.316 55.019 55.300 0.058 0.000 1.122 188 M CB 1.603 34.181 32.600 -0.037 0.000 1.571 188 M HN 0.714 nan 8.290 nan 0.000 0.464 189 T N -1.232 113.362 114.554 0.067 0.000 2.816 189 T HA 0.156 4.506 4.350 0.000 0.000 0.282 189 T C 1.108 175.834 174.700 0.043 0.000 0.993 189 T CA -0.613 61.525 62.100 0.064 0.000 0.994 189 T CB 1.303 70.228 68.868 0.093 0.000 1.025 189 T HN 0.668 nan 8.240 nan 0.000 0.529 190 S N -0.517 115.210 115.700 0.044 0.000 2.370 190 S HA -0.198 4.272 4.470 0.000 0.000 0.226 190 S C 2.075 176.702 174.600 0.044 0.000 1.033 190 S CA 1.863 60.083 58.200 0.033 0.000 1.011 190 S CB -0.720 62.500 63.200 0.034 0.000 0.852 190 S HN 0.847 nan 8.310 nan 0.000 0.457 191 Q N 0.276 120.119 119.800 0.072 0.000 2.079 191 Q HA -0.126 4.214 4.340 0.000 0.000 0.200 191 Q C 1.929 177.990 176.000 0.101 0.000 0.974 191 Q CA 1.755 57.620 55.803 0.103 0.000 0.840 191 Q CB -0.169 28.640 28.738 0.117 0.000 0.898 191 Q HN 0.644 nan 8.270 nan 0.000 0.430 192 E N -0.111 120.133 120.200 0.072 0.000 2.150 192 E HA -0.172 4.178 4.350 0.000 0.000 0.193 192 E C 1.878 178.474 176.600 -0.006 0.000 0.985 192 E CA 0.807 57.199 56.400 -0.013 0.000 0.814 192 E CB -0.107 29.580 29.700 -0.020 0.000 0.752 192 E HN 0.497 nan 8.360 nan 0.000 0.466 193 A N 1.472 124.279 122.820 -0.021 0.000 1.902 193 A HA -0.126 4.194 4.320 0.000 0.000 0.217 193 A C 2.406 179.974 177.584 -0.027 0.000 1.181 193 A CA 1.640 53.654 52.037 -0.038 0.000 0.623 193 A CB -0.680 18.303 19.000 -0.028 0.000 0.818 193 A HN 0.299 nan 8.150 nan 0.000 0.443 194 A N -1.277 121.539 122.820 -0.007 0.000 1.978 194 A HA -0.168 4.152 4.320 0.000 0.000 0.220 194 A C 2.147 179.693 177.584 -0.063 0.000 1.170 194 A CA 1.820 53.848 52.037 -0.016 0.000 0.636 194 A CB -0.998 18.018 19.000 0.026 0.000 0.810 194 A HN 0.631 nan 8.150 nan 0.000 0.448 195 C N -2.849 116.402 119.300 -0.083 0.000 2.590 195 C HA 0.336 4.796 4.460 0.000 0.000 0.272 195 C C 0.483 175.083 174.990 -0.651 0.000 1.338 195 C CA -0.246 58.588 59.018 -0.305 0.000 1.746 195 C CB -1.135 26.480 27.740 -0.209 0.000 2.020 195 C HN 0.508 nan 8.230 nan 0.000 0.531 196 F N 1.239 121.068 119.950 -0.201 0.000 2.597 196 F HA 0.288 4.816 4.527 0.000 0.000 0.336 196 F C -1.426 174.242 175.800 -0.219 0.000 1.432 196 F CA -1.879 55.971 58.000 -0.249 0.000 1.120 196 F CB 0.116 38.823 39.000 -0.488 0.000 1.253 196 F HN 0.024 nan 8.300 nan 0.000 0.546 197 P HA -0.184 nan 4.420 nan 0.000 0.218 197 P C 1.107 178.383 177.300 -0.041 0.000 1.149 197 P CA 1.580 64.648 63.100 -0.054 0.000 0.817 197 P CB 0.210 31.872 31.700 -0.064 0.000 0.785 198 D N 0.259 120.641 120.400 -0.030 0.000 2.144 198 D HA -0.143 4.497 4.640 0.000 0.000 0.199 198 D C 2.106 178.398 176.300 -0.014 0.000 0.984 198 D CA 0.948 54.940 54.000 -0.015 0.000 0.834 198 D CB -0.995 39.806 40.800 0.001 0.000 0.955 198 D HN 0.243 nan 8.370 nan 0.000 0.465 199 I N 0.559 121.115 120.570 -0.023 0.000 2.235 199 I HA -0.091 4.079 4.170 0.000 0.000 0.241 199 I C 2.735 178.794 176.117 -0.097 0.000 1.085 199 I CA 0.376 61.634 61.300 -0.071 0.000 1.378 199 I CB -0.061 37.836 38.000 -0.171 0.000 1.076 199 I HN -0.112 nan 8.210 nan 0.000 0.415 200 I N 0.511 121.006 120.570 -0.124 0.000 2.454 200 I HA -0.281 3.890 4.170 0.000 0.000 0.254 200 I C 2.292 178.377 176.117 -0.054 0.000 1.156 200 I CA 1.602 62.843 61.300 -0.099 0.000 1.433 200 I CB 0.064 38.003 38.000 -0.102 0.000 1.082 200 I HN 0.304 nan 8.210 nan 0.000 0.432 201 S N -0.701 114.973 115.700 -0.043 0.000 2.575 201 S HA 0.246 4.716 4.470 0.000 0.000 0.215 201 S C 0.983 175.571 174.600 -0.019 0.000 0.966 201 S CA -0.035 58.148 58.200 -0.028 0.000 0.911 201 S CB -0.219 62.965 63.200 -0.026 0.000 0.780 201 S HN 0.382 nan 8.310 nan 0.000 0.514 202 G N 2.126 110.915 108.800 -0.019 0.000 2.568 202 G HA2 0.583 4.544 3.960 0.000 0.000 0.293 202 G HA3 0.583 4.544 3.960 0.000 0.000 0.293 202 G C -2.807 172.091 174.900 -0.003 0.000 1.347 202 G CA -1.966 43.129 45.100 -0.007 0.000 1.039 202 G HN 0.213 nan 8.290 nan 0.000 0.523 203 P HA 0.009 nan 4.420 nan 0.000 0.266 203 P C 0.577 177.886 177.300 0.015 0.000 1.193 203 P CA -0.076 63.030 63.100 0.010 0.000 0.770 203 P CB 0.805 32.513 31.700 0.013 0.000 0.836 204 Q N 1.451 121.260 119.800 0.016 0.000 2.112 204 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 204 Q C 1.890 177.913 176.000 0.038 0.000 0.987 204 Q CA 1.885 57.702 55.803 0.023 0.000 0.858 204 Q CB -0.374 28.376 28.738 0.019 0.000 0.905 204 Q HN 0.484 nan 8.270 nan 0.000 0.420 205 Q N -0.025 119.796 119.800 0.036 0.000 2.077 205 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 205 Q C 1.891 177.933 176.000 0.070 0.000 0.989 205 Q CA 2.272 58.102 55.803 0.046 0.000 0.853 205 Q CB -0.554 28.201 28.738 0.029 0.000 0.907 205 Q HN 0.352 nan 8.270 nan 0.000 0.418 206 T N 0.598 115.190 114.554 0.063 0.000 2.788 206 T HA -0.151 4.199 4.350 0.000 0.000 0.268 206 T C 1.652 176.422 174.700 0.117 0.000 1.044 206 T CA 1.438 63.590 62.100 0.086 0.000 1.139 206 T CB -0.146 68.759 68.868 0.062 0.000 0.867 206 T HN 0.428 nan 8.240 nan 0.000 0.454 207 Q N 0.688 120.537 119.800 0.082 0.000 2.084 207 Q HA -0.086 4.255 4.340 0.000 0.000 0.202 207 Q C 2.398 178.501 176.000 0.173 0.000 0.978 207 Q CA 1.223 57.082 55.803 0.093 0.000 0.844 207 Q CB -0.147 28.614 28.738 0.038 0.000 0.898 207 Q HN 0.451 nan 8.270 nan 0.000 0.426 208 K N 0.010 120.495 120.400 0.142 0.000 2.097 208 K HA -0.113 4.207 4.320 0.000 0.000 0.206 208 K C 2.063 178.798 176.600 0.225 0.000 1.049 208 K CA 1.140 57.523 56.287 0.160 0.000 0.933 208 K CB 0.024 32.597 32.500 0.122 0.000 0.717 208 K HN 0.035 nan 8.250 nan 0.000 0.442 209 V N 1.008 121.073 119.914 0.250 0.000 2.358 209 V HA -0.239 3.881 4.120 0.000 0.000 0.246 209 V C 1.926 178.194 176.094 0.290 0.000 1.047 209 V CA 1.674 64.186 62.300 0.352 0.000 1.035 209 V CB -0.519 31.481 31.823 0.295 0.000 0.658 209 V HN 0.247 nan 8.190 nan 0.000 0.452 210 F N 0.692 120.689 119.950 0.077 0.000 2.069 210 F HA -0.197 4.330 4.527 0.000 0.000 0.298 210 F C 2.075 177.848 175.800 -0.045 0.000 1.113 210 F CA 1.798 59.775 58.000 -0.038 0.000 1.214 210 F CB -0.336 38.571 39.000 -0.156 0.000 0.978 210 F HN 0.022 nan 8.300 nan 0.000 0.474 211 L N -0.884 120.383 121.223 0.074 0.000 2.079 211 L HA -0.231 4.109 4.340 0.000 0.000 0.210 211 L C 2.428 179.240 176.870 -0.097 0.000 1.081 211 L CA 1.556 56.373 54.840 -0.039 0.000 0.752 211 L CB -0.908 41.228 42.059 0.128 0.000 0.896 211 L HN 0.260 nan 8.230 nan 0.000 0.433 212 F N 0.586 120.437 119.950 -0.164 0.000 2.146 212 F HA -0.181 4.347 4.527 0.000 0.000 0.298 212 F C 2.267 177.878 175.800 -0.314 0.000 1.096 212 F CA 1.353 59.197 58.000 -0.261 0.000 1.275 212 F CB -0.108 38.629 39.000 -0.438 0.000 1.008 212 F HN -0.121 nan 8.300 nan 0.000 0.480 213 I N 0.100 120.516 120.570 -0.256 0.000 2.226 213 I HA -0.296 3.874 4.170 0.000 0.000 0.245 213 I C 2.762 178.659 176.117 -0.367 0.000 1.100 213 I CA 1.302 62.433 61.300 -0.281 0.000 1.374 213 I CB -0.556 37.377 38.000 -0.112 0.000 1.057 213 I HN 0.100 nan 8.210 nan 0.000 0.413 214 R N 1.377 121.577 120.500 -0.501 0.000 2.070 214 R HA -0.183 4.157 4.340 0.000 0.000 0.233 214 R C 1.944 178.080 176.300 -0.274 0.000 1.137 214 R CA 1.919 57.754 56.100 -0.442 0.000 0.945 214 R CB -0.536 29.363 30.300 -0.669 0.000 0.845 214 R HN 0.361 nan 8.270 nan 0.000 0.430 215 N N 0.887 119.419 118.700 -0.281 0.000 2.120 215 N HA -0.187 4.553 4.740 0.000 0.000 0.188 215 N C 1.895 177.241 175.510 -0.274 0.000 1.024 215 N CA 1.260 54.183 53.050 -0.212 0.000 0.852 215 N CB -0.432 37.956 38.487 -0.164 0.000 1.003 215 N HN 0.172 nan 8.380 nan 0.000 0.424 216 R N 0.732 120.946 120.500 -0.477 0.000 2.075 216 R HA 0.031 4.372 4.340 0.000 0.000 0.232 216 R C 1.931 178.100 176.300 -0.217 0.000 1.126 216 R CA 1.616 57.444 56.100 -0.454 0.000 0.963 216 R CB -0.870 28.985 30.300 -0.742 0.000 0.858 216 R HN 0.141 nan 8.270 nan 0.000 0.435 217 T N 0.989 115.441 114.554 -0.169 0.000 2.788 217 T HA -0.092 4.258 4.350 0.000 0.000 0.268 217 T C 1.694 176.403 174.700 0.015 0.000 1.044 217 T CA 1.484 63.559 62.100 -0.041 0.000 1.139 217 T CB -0.168 68.693 68.868 -0.012 0.000 0.867 217 T HN 0.147 nan 8.240 nan 0.000 0.454 218 L N 0.685 121.902 121.223 -0.010 0.000 2.093 218 L HA -0.111 4.229 4.340 0.000 0.000 0.208 218 L C 2.929 179.849 176.870 0.083 0.000 1.085 218 L CA 1.269 56.154 54.840 0.075 0.000 0.755 218 L CB -0.524 41.561 42.059 0.043 0.000 0.904 218 L HN 0.305 nan 8.230 nan 0.000 0.435 219 Q N 0.462 120.256 119.800 -0.010 0.000 2.050 219 Q HA -0.211 4.130 4.340 0.000 0.000 0.202 219 Q C 2.371 178.361 176.000 -0.016 0.000 0.980 219 Q CA 1.518 57.303 55.803 -0.029 0.000 0.840 219 Q CB -0.051 28.638 28.738 -0.082 0.000 0.898 219 Q HN 0.502 nan 8.270 nan 0.000 0.424 220 L N -0.182 121.043 121.223 0.003 0.000 2.042 220 L HA -0.207 4.133 4.340 0.000 0.000 0.210 220 L C 2.431 179.338 176.870 0.061 0.000 1.076 220 L CA 1.430 56.282 54.840 0.019 0.000 0.749 220 L CB -0.824 41.254 42.059 0.031 0.000 0.893 220 L HN 0.544 nan 8.230 nan 0.000 0.432 221 W N 1.228 122.484 121.300 -0.072 0.000 2.378 221 W HA -0.178 4.483 4.660 0.000 0.000 0.313 221 W C 2.086 178.546 176.519 -0.099 0.000 1.197 221 W CA 1.189 58.477 57.345 -0.095 0.000 1.304 221 W CB -0.194 29.209 29.460 -0.096 0.000 1.148 221 W HN 0.082 nan 8.180 nan 0.000 0.494 222 L N 0.918 121.991 121.223 -0.250 0.000 2.131 222 L HA -0.243 4.098 4.340 0.000 0.000 0.210 222 L C 2.084 178.762 176.870 -0.319 0.000 1.092 222 L CA 1.609 56.230 54.840 -0.365 0.000 0.759 222 L CB -1.009 40.982 42.059 -0.114 0.000 0.903 222 L HN -0.132 nan 8.230 nan 0.000 0.435 223 D N -0.272 120.003 120.400 -0.208 0.000 2.218 223 D HA -0.120 4.520 4.640 0.000 0.000 0.204 223 D C 0.727 176.905 176.300 -0.203 0.000 0.976 223 D CA 1.099 55.000 54.000 -0.164 0.000 0.853 223 D CB -0.057 40.681 40.800 -0.102 0.000 0.939 223 D HN 0.120 nan 8.370 nan 0.000 0.481 224 N N -1.111 117.419 118.700 -0.283 0.000 2.751 224 N HA 0.105 4.845 4.740 0.000 0.000 0.234 224 N C -2.518 172.702 175.510 -0.484 0.000 1.403 224 N CA -1.116 51.763 53.050 -0.285 0.000 0.747 224 N CB 1.294 39.688 38.487 -0.154 0.000 1.326 224 N HN -0.170 nan 8.380 nan 0.000 0.532 225 P HA 0.056 nan 4.420 nan 0.000 0.245 225 P C 0.417 177.360 177.300 -0.596 0.000 1.212 225 P CA 0.444 62.757 63.100 -1.313 0.000 0.774 225 P CB 0.406 31.375 31.700 -1.218 0.000 0.999 226 K N 0.137 120.368 120.400 -0.280 0.000 2.459 226 K HA 0.125 4.445 4.320 0.000 0.000 0.193 226 K C 1.196 177.839 176.600 0.071 0.000 1.030 226 K CA 0.352 56.599 56.287 -0.067 0.000 1.026 226 K CB -0.058 32.401 32.500 -0.069 0.000 0.809 226 K HN 0.348 nan 8.250 nan 0.000 0.504 227 I N -2.829 117.779 120.570 0.064 0.000 2.828 227 I HA 0.252 4.422 4.170 0.000 0.000 0.302 227 I C -0.674 175.562 176.117 0.198 0.000 1.101 227 I CA -1.232 60.163 61.300 0.158 0.000 1.031 227 I CB 1.791 39.840 38.000 0.083 0.000 1.231 227 I HN -0.208 nan 8.210 nan 0.000 0.427 228 Q N 3.522 123.457 119.800 0.225 0.000 2.289 228 Q HA 0.197 4.537 4.340 0.000 0.000 0.273 228 Q C -1.165 174.890 176.000 0.091 0.000 1.029 228 Q CA -0.443 55.398 55.803 0.065 0.000 0.896 228 Q CB 1.169 30.040 28.738 0.220 0.000 1.182 228 Q HN 0.723 nan 8.270 nan 0.000 0.385 229 L N 5.518 126.787 121.223 0.077 0.000 2.268 229 L HA 0.279 4.620 4.340 0.000 0.000 0.289 229 L C -0.270 176.728 176.870 0.213 0.000 1.064 229 L CA 0.156 55.086 54.840 0.150 0.000 0.824 229 L CB 0.923 43.109 42.059 0.212 0.000 1.202 229 L HN 0.728 nan 8.230 nan 0.000 0.433 230 T N 1.084 115.704 114.554 0.111 0.000 2.902 230 T HA 0.212 4.562 4.350 0.000 0.000 0.280 230 T C 0.980 175.526 174.700 -0.256 0.000 0.992 230 T CA -0.350 61.761 62.100 0.018 0.000 1.015 230 T CB 0.657 69.521 68.868 -0.006 0.000 1.044 230 T HN 0.468 nan 8.240 nan 0.000 0.520 231 F N 1.519 121.022 119.950 -0.744 0.000 2.095 231 F HA -0.021 4.506 4.527 0.000 0.000 0.298 231 F C 2.052 177.623 175.800 -0.381 0.000 1.104 231 F CA 1.756 59.254 58.000 -0.835 0.000 1.232 231 F CB -0.803 37.683 39.000 -0.857 0.000 0.987 231 F HN 0.703 nan 8.300 nan 0.000 0.475 232 E N 0.747 120.598 120.200 -0.582 0.000 2.058 232 E HA -0.171 4.179 4.350 0.000 0.000 0.194 232 E C 2.425 178.813 176.600 -0.353 0.000 0.997 232 E CA 1.738 57.816 56.400 -0.538 0.000 0.801 232 E CB -0.881 28.657 29.700 -0.271 0.000 0.746 232 E HN 0.482 nan 8.360 nan 0.000 0.450 233 A N 0.122 122.813 122.820 -0.215 0.000 1.908 233 A HA -0.236 4.084 4.320 0.000 0.000 0.218 233 A C 2.380 179.894 177.584 -0.117 0.000 1.181 233 A CA 2.214 54.178 52.037 -0.121 0.000 0.627 233 A CB -1.082 17.888 19.000 -0.050 0.000 0.818 233 A HN 0.295 nan 8.150 nan 0.000 0.445 234 T N 0.015 114.489 114.554 -0.133 0.000 2.643 234 T HA -0.151 4.199 4.350 0.000 0.000 0.264 234 T C 1.849 176.487 174.700 -0.103 0.000 1.045 234 T CA 1.555 63.613 62.100 -0.069 0.000 1.155 234 T CB -0.465 68.410 68.868 0.011 0.000 0.863 234 T HN 0.283 nan 8.240 nan 0.000 0.420 235 L N 1.201 122.285 121.223 -0.232 0.000 2.043 235 L HA -0.145 4.195 4.340 0.000 0.000 0.212 235 L C 2.570 179.367 176.870 -0.121 0.000 1.075 235 L CA 1.835 56.554 54.840 -0.202 0.000 0.752 235 L CB -0.688 41.111 42.059 -0.432 0.000 0.891 235 L HN 0.184 nan 8.230 nan 0.000 0.432 236 Q N -0.603 119.112 119.800 -0.142 0.000 2.124 236 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 236 Q C 2.091 178.067 176.000 -0.040 0.000 0.977 236 Q CA 1.729 57.481 55.803 -0.084 0.000 0.850 236 Q CB -0.156 28.528 28.738 -0.091 0.000 0.901 236 Q HN 0.640 nan 8.270 nan 0.000 0.429 237 Q N -0.743 119.035 119.800 -0.037 0.000 2.403 237 Q HA 0.188 4.528 4.340 0.000 0.000 0.203 237 Q C -0.421 175.588 176.000 0.016 0.000 0.932 237 Q CA -0.179 55.617 55.803 -0.011 0.000 0.945 237 Q CB 0.396 29.123 28.738 -0.017 0.000 1.045 237 Q HN 0.303 nan 8.270 nan 0.000 0.511 238 L N 0.866 122.108 121.223 0.032 0.000 2.357 238 L HA 0.250 4.590 4.340 0.000 0.000 0.273 238 L C 0.371 177.317 176.870 0.126 0.000 1.080 238 L CA -0.303 54.595 54.840 0.097 0.000 0.803 238 L CB 1.252 43.382 42.059 0.119 0.000 1.174 238 L HN 0.060 nan 8.230 nan 0.000 0.443 239 E N 0.887 121.207 120.200 0.200 0.000 2.243 239 E HA 0.536 4.887 4.350 0.000 0.000 0.260 239 E C -0.599 176.114 176.600 0.189 0.000 0.985 239 E CA -0.976 55.524 56.400 0.166 0.000 0.858 239 E CB 1.749 31.540 29.700 0.151 0.000 1.210 239 E HN 0.648 nan 8.360 nan 0.000 0.411 240 A N 1.790 124.664 122.820 0.090 0.000 2.483 240 A HA 0.161 4.481 4.320 0.000 0.000 0.238 240 A C -1.599 175.941 177.584 -0.073 0.000 1.070 240 A CA -0.728 51.318 52.037 0.015 0.000 0.770 240 A CB -0.226 18.769 19.000 -0.009 0.000 1.008 240 A HN 0.407 nan 8.150 nan 0.000 0.497 241 P HA 0.075 nan 4.420 nan 0.000 0.261 241 P C 0.304 177.489 177.300 -0.193 0.000 1.268 241 P CA 0.527 63.487 63.100 -0.234 0.000 0.833 241 P CB -0.006 31.520 31.700 -0.290 0.000 1.231 242 Y N 2.285 122.622 120.300 0.063 0.000 2.224 242 Y HA -0.166 4.384 4.550 0.000 0.000 0.289 242 Y C 2.149 178.115 175.900 0.109 0.000 1.146 242 Y CA 1.552 59.721 58.100 0.116 0.000 1.182 242 Y CB -1.517 37.074 38.460 0.218 0.000 0.983 242 Y HN 0.124 nan 8.280 nan 0.000 0.524 243 N N 0.115 118.948 118.700 0.222 0.000 2.501 243 N HA -0.077 4.664 4.740 0.000 0.000 0.195 243 N C 1.039 176.610 175.510 0.102 0.000 1.213 243 N CA 0.917 54.054 53.050 0.145 0.000 0.864 243 N CB -0.567 37.981 38.487 0.102 0.000 0.999 243 N HN 0.406 nan 8.380 nan 0.000 0.454 244 S N -1.426 114.329 115.700 0.092 0.000 2.456 244 S HA -0.003 4.467 4.470 0.000 0.000 0.224 244 S C 0.592 175.248 174.600 0.093 0.000 1.035 244 S CA -0.093 58.148 58.200 0.068 0.000 0.940 244 S CB -0.135 63.083 63.200 0.031 0.000 0.799 244 S HN 0.124 nan 8.310 nan 0.000 0.508 245 D N 2.907 123.379 120.400 0.120 0.000 2.494 245 D HA 0.228 4.868 4.640 0.000 0.000 0.217 245 D C 1.338 177.751 176.300 0.188 0.000 1.153 245 D CA 0.288 54.372 54.000 0.139 0.000 0.954 245 D CB 1.069 41.954 40.800 0.141 0.000 1.034 245 D HN 0.486 nan 8.370 nan 0.000 0.518 246 T N -0.814 113.857 114.554 0.195 0.000 2.833 246 T HA -0.179 4.171 4.350 0.000 0.000 0.269 246 T C 2.008 176.891 174.700 0.305 0.000 1.054 246 T CA 1.469 63.740 62.100 0.286 0.000 1.135 246 T CB -0.445 68.593 68.868 0.284 0.000 0.869 246 T HN 0.203 nan 8.240 nan 0.000 0.466 247 V N 0.060 120.100 119.914 0.211 0.000 2.379 247 V HA 0.045 4.166 4.120 0.000 0.000 0.245 247 V C 2.473 178.687 176.094 0.200 0.000 1.044 247 V CA 1.280 63.680 62.300 0.166 0.000 1.036 247 V CB -1.300 30.588 31.823 0.108 0.000 0.664 247 V HN 0.367 nan 8.190 nan 0.000 0.453 248 L N 0.424 121.779 121.223 0.221 0.000 2.046 248 L HA -0.049 4.292 4.340 0.000 0.000 0.208 248 L C 2.491 179.533 176.870 0.286 0.000 1.077 248 L CA 2.122 57.122 54.840 0.266 0.000 0.747 248 L CB -0.672 41.532 42.059 0.242 0.000 0.896 248 L HN 0.208 nan 8.230 nan 0.000 0.432 249 V N -0.811 119.276 119.914 0.288 0.000 2.295 249 V HA -0.317 3.803 4.120 0.000 0.000 0.246 249 V C 2.614 178.923 176.094 0.358 0.000 1.049 249 V CA 1.956 64.449 62.300 0.321 0.000 1.024 249 V CB -1.008 31.038 31.823 0.372 0.000 0.648 249 V HN 0.589 nan 8.190 nan 0.000 0.447 250 H N 0.744 119.868 119.070 0.091 0.000 2.352 250 H HA -0.104 4.452 4.556 0.000 0.000 0.299 250 H C 2.534 177.851 175.328 -0.019 0.000 1.097 250 H CA 1.992 57.805 56.048 -0.392 0.000 1.311 250 H CB -0.071 29.192 29.762 -0.832 0.000 1.377 250 H HN 0.332 nan 8.280 nan 0.000 0.504 251 R N -0.587 120.077 120.500 0.272 0.000 2.073 251 R HA -0.086 4.255 4.340 0.000 0.000 0.234 251 R C 2.599 179.229 176.300 0.549 0.000 1.134 251 R CA 1.433 57.756 56.100 0.371 0.000 0.952 251 R CB -0.308 30.266 30.300 0.457 0.000 0.850 251 R HN 0.128 nan 8.270 nan 0.000 0.433 252 V N 0.700 120.914 119.914 0.499 0.000 2.287 252 V HA -0.304 3.816 4.120 0.000 0.000 0.248 252 V C 2.435 178.723 176.094 0.323 0.000 1.053 252 V CA 1.991 64.518 62.300 0.379 0.000 1.027 252 V CB -0.835 31.012 31.823 0.041 0.000 0.646 252 V HN 0.468 nan 8.190 nan 0.000 0.447 253 H N 0.500 119.691 119.070 0.202 0.000 2.290 253 H HA -0.155 4.402 4.556 0.000 0.000 0.298 253 H C 2.453 177.831 175.328 0.083 0.000 1.087 253 H CA 2.211 58.343 56.048 0.140 0.000 1.291 253 H CB -0.058 29.816 29.762 0.188 0.000 1.369 253 H HN 0.428 nan 8.280 nan 0.000 0.492 254 S N 0.135 115.961 115.700 0.210 0.000 2.382 254 S HA -0.181 4.289 4.470 0.000 0.000 0.228 254 S C 1.947 176.338 174.600 -0.348 0.000 1.027 254 S CA 1.276 59.470 58.200 -0.010 0.000 0.991 254 S CB -0.652 62.595 63.200 0.079 0.000 0.823 254 S HN 0.581 nan 8.310 nan 0.000 0.469 255 Y N 2.366 122.439 120.300 -0.380 0.000 2.145 255 Y HA -0.111 4.439 4.550 0.000 0.000 0.286 255 Y C 1.827 177.642 175.900 -0.142 0.000 1.145 255 Y CA 1.351 59.171 58.100 -0.467 0.000 1.148 255 Y CB -0.545 37.991 38.460 0.126 0.000 0.981 255 Y HN 0.133 nan 8.280 nan 0.000 0.507 256 L N 0.258 121.316 121.223 -0.275 0.000 2.046 256 L HA -0.190 4.150 4.340 0.000 0.000 0.208 256 L C 2.605 179.260 176.870 -0.359 0.000 1.077 256 L CA 1.932 56.562 54.840 -0.350 0.000 0.747 256 L CB -0.698 41.248 42.059 -0.189 0.000 0.896 256 L HN 0.324 nan 8.230 nan 0.000 0.432 257 E N 0.425 120.390 120.200 -0.391 0.000 2.051 257 E HA -0.295 4.055 4.350 0.000 0.000 0.192 257 E C 2.319 178.814 176.600 -0.175 0.000 0.991 257 E CA 1.194 57.408 56.400 -0.310 0.000 0.799 257 E CB 0.053 29.559 29.700 -0.324 0.000 0.748 257 E HN 0.122 nan 8.360 nan 0.000 0.449 258 R N 0.100 120.376 120.500 -0.373 0.000 2.096 258 R HA -0.123 4.217 4.340 0.000 0.000 0.235 258 R C 1.380 177.432 176.300 -0.414 0.000 1.127 258 R CA 1.986 57.755 56.100 -0.552 0.000 0.968 258 R CB -0.591 29.277 30.300 -0.720 0.000 0.861 258 R HN 0.360 nan 8.270 nan 0.000 0.440 259 H N -1.434 117.420 119.070 -0.359 0.000 2.533 259 H HA 0.308 4.864 4.556 0.000 0.000 0.271 259 H C 0.902 176.115 175.328 -0.193 0.000 1.000 259 H CA 0.718 56.601 56.048 -0.274 0.000 1.149 259 H CB 0.409 29.906 29.762 -0.442 0.000 1.375 259 H HN 0.459 nan 8.280 nan 0.000 0.582 260 G N 0.526 109.286 108.800 -0.067 0.000 2.155 260 G HA2 -0.321 3.640 3.960 0.000 0.000 0.257 260 G HA3 -0.321 3.640 3.960 0.000 0.000 0.257 260 G C 0.996 175.792 174.900 -0.172 0.000 0.983 260 G CA 0.569 45.617 45.100 -0.085 0.000 0.676 260 G HN 0.457 nan 8.290 nan 0.000 0.528 261 L N -0.221 120.902 121.223 -0.167 0.000 2.313 261 L HA 0.341 4.681 4.340 0.000 0.000 0.214 261 L C 1.645 178.451 176.870 -0.105 0.000 1.119 261 L CA 1.241 56.011 54.840 -0.117 0.000 0.809 261 L CB -0.150 41.841 42.059 -0.112 0.000 0.933 261 L HN 0.651 nan 8.230 nan 0.000 0.449 262 I N -6.091 114.244 120.570 -0.392 0.000 2.969 262 I HA 0.440 4.610 4.170 0.000 0.000 0.307 262 I C -0.595 174.804 176.117 -1.196 0.000 1.149 262 I CA -1.008 59.588 61.300 -1.173 0.000 1.008 262 I CB 1.822 39.344 38.000 -0.798 0.000 1.232 262 I HN -0.140 nan 8.210 nan 0.000 0.435 263 N N 1.971 119.312 118.700 -2.264 0.000 2.740 263 N HA -0.225 4.515 4.740 0.000 0.000 0.248 263 N C -0.993 174.180 175.510 -0.561 0.000 1.062 263 N CA 1.483 53.616 53.050 -1.529 0.000 0.704 263 N CB -1.418 36.590 38.487 -0.798 0.000 0.968 263 N HN 0.741 nan 8.380 nan 0.000 0.547 264 F N -2.703 117.010 119.950 -0.396 0.000 2.556 264 F HA 0.859 5.386 4.527 0.000 0.000 0.327 264 F C 1.114 177.127 175.800 0.355 0.000 1.059 264 F CA 0.119 58.159 58.000 0.066 0.000 0.953 264 F CB 1.284 40.276 39.000 -0.013 0.000 1.227 264 F HN 0.192 nan 8.300 nan 0.000 0.478 265 G N 1.760 110.789 108.800 0.381 0.000 2.503 265 G HA2 -0.146 3.814 3.960 0.000 0.000 0.235 265 G HA3 -0.146 3.814 3.960 0.000 0.000 0.235 265 G C -1.216 173.773 174.900 0.149 0.000 1.179 265 G CA -0.294 44.952 45.100 0.242 0.000 0.944 265 G HN 0.986 nan 8.290 nan 0.000 0.580 266 I N 1.800 122.440 120.570 0.118 0.000 2.411 266 I HA 0.645 4.815 4.170 0.000 0.000 0.284 266 I C -0.323 175.841 176.117 0.078 0.000 1.012 266 I CA -0.799 60.488 61.300 -0.022 0.000 1.119 266 I CB 1.395 39.382 38.000 -0.022 0.000 1.261 266 I HN 0.730 nan 8.210 nan 0.000 0.448 267 Y N 3.008 123.327 120.300 0.031 0.000 2.625 267 Y HA 0.589 5.140 4.550 0.000 0.000 0.338 267 Y C -0.907 175.013 175.900 0.033 0.000 1.123 267 Y CA -1.643 56.483 58.100 0.044 0.000 1.046 267 Y CB 0.894 39.439 38.460 0.142 0.000 1.299 267 Y HN 0.214 nan 8.280 nan 0.000 0.464 268 K N 2.173 122.685 120.400 0.187 0.000 2.379 268 K HA 0.228 4.549 4.320 0.000 0.000 0.284 268 K C -0.421 176.299 176.600 0.199 0.000 1.044 268 K CA -0.439 55.910 56.287 0.103 0.000 0.974 268 K CB 1.016 33.562 32.500 0.077 0.000 0.962 268 K HN 0.665 nan 8.250 nan 0.000 0.474 269 R N 3.495 124.052 120.500 0.096 0.000 2.308 269 R HA 0.145 4.485 4.340 0.000 0.000 0.305 269 R C 0.885 177.254 176.300 0.114 0.000 1.053 269 R CA -0.079 56.106 56.100 0.142 0.000 0.957 269 R CB 0.490 30.815 30.300 0.042 0.000 1.022 269 R HN 0.675 nan 8.270 nan 0.000 0.461 270 I N 2.598 123.248 120.570 0.133 0.000 2.385 270 I HA -0.040 4.130 4.170 0.000 0.000 0.244 270 I C 0.341 176.502 176.117 0.073 0.000 1.089 270 I CA 0.666 62.019 61.300 0.088 0.000 1.410 270 I CB 0.097 38.146 38.000 0.082 0.000 1.117 270 I HN 0.456 nan 8.210 nan 0.000 0.429 271 K N 3.214 123.667 120.400 0.088 0.000 2.276 271 K HA 0.234 4.555 4.320 0.000 0.000 0.285 271 K C -2.219 174.424 176.600 0.071 0.000 1.062 271 K CA -1.724 54.609 56.287 0.077 0.000 0.918 271 K CB 0.525 33.080 32.500 0.092 0.000 1.055 271 K HN 0.005 nan 8.250 nan 0.000 0.477 272 P HA -0.014 nan 4.420 nan 0.000 0.271 272 P C -0.340 176.985 177.300 0.043 0.000 1.233 272 P CA -0.155 62.968 63.100 0.039 0.000 0.789 272 P CB 0.624 32.341 31.700 0.029 0.000 0.951 273 L N 2.458 123.698 121.223 0.028 0.000 2.416 273 L HA 0.191 4.532 4.340 0.000 0.000 0.272 273 L C -1.467 175.421 176.870 0.030 0.000 1.161 273 L CA -1.829 53.028 54.840 0.028 0.000 0.845 273 L CB -0.537 41.525 42.059 0.005 0.000 1.119 273 L HN 0.301 nan 8.230 nan 0.000 0.464 274 P HA -0.061 nan 4.420 nan 0.000 0.261 274 P C 0.593 177.908 177.300 0.024 0.000 1.183 274 P CA 0.138 63.260 63.100 0.037 0.000 0.761 274 P CB 0.830 32.558 31.700 0.046 0.000 0.785 275 T N 2.776 117.343 114.554 0.021 0.000 2.684 275 T HA -0.119 4.231 4.350 0.000 0.000 0.267 275 T C 0.685 175.392 174.700 0.012 0.000 1.036 275 T CA 1.306 63.414 62.100 0.014 0.000 1.148 275 T CB -0.159 68.717 68.868 0.013 0.000 0.863 275 T HN 0.358 nan 8.240 nan 0.000 0.436 276 K N 1.961 122.371 120.400 0.016 0.000 2.201 276 K HA 0.367 4.687 4.320 0.000 0.000 0.278 276 K C -0.379 176.231 176.600 0.018 0.000 1.027 276 K CA -0.381 55.915 56.287 0.015 0.000 0.909 276 K CB 1.544 34.054 32.500 0.016 0.000 1.062 276 K HN 0.199 nan 8.250 nan 0.000 0.465 277 K N 0.782 121.189 120.400 0.013 0.000 2.109 277 K HA 0.319 4.640 4.320 0.000 0.000 0.243 277 K C -0.442 176.169 176.600 0.017 0.000 1.006 277 K CA -0.426 55.869 56.287 0.014 0.000 0.917 277 K CB 1.331 33.832 32.500 0.001 0.000 1.081 277 K HN 0.369 nan 8.250 nan 0.000 0.468 278 T N 0.902 115.469 114.554 0.021 0.000 2.840 278 T HA 0.572 4.922 4.350 0.000 0.000 0.287 278 T C -0.577 174.130 174.700 0.011 0.000 0.991 278 T CA -0.421 61.695 62.100 0.027 0.000 0.964 278 T CB 1.390 70.285 68.868 0.046 0.000 0.954 278 T HN 0.858 nan 8.240 nan 0.000 0.438 279 G N 2.415 111.213 108.800 -0.004 0.000 2.731 279 G HA2 0.004 3.964 3.960 0.000 0.000 0.686 279 G HA3 0.004 3.964 3.960 0.000 0.000 0.686 279 G C -0.890 173.953 174.900 -0.095 0.000 1.395 279 G CA -0.729 44.335 45.100 -0.061 0.000 0.870 279 G HN 0.817 nan 8.290 nan 0.000 0.591 280 K N -0.105 120.211 120.400 -0.140 0.000 2.376 280 K HA 0.746 5.066 4.320 0.000 0.000 0.257 280 K C -0.595 175.900 176.600 -0.176 0.000 0.939 280 K CA -0.713 55.503 56.287 -0.118 0.000 0.809 280 K CB 2.066 34.527 32.500 -0.065 0.000 1.121 280 K HN 0.934 nan 8.250 nan 0.000 0.425 281 V N 5.373 125.193 119.914 -0.157 0.000 2.588 281 V HA 0.504 4.624 4.120 0.000 0.000 0.304 281 V C -0.596 175.421 176.094 -0.129 0.000 1.042 281 V CA -0.917 61.281 62.300 -0.171 0.000 0.877 281 V CB 1.684 33.387 31.823 -0.199 0.000 0.996 281 V HN 0.703 nan 8.190 nan 0.000 0.425 282 I N 5.271 125.774 120.570 -0.112 0.000 2.377 282 I HA 0.490 4.660 4.170 0.000 0.000 0.293 282 I C -0.237 175.810 176.117 -0.117 0.000 0.987 282 I CA -0.321 60.905 61.300 -0.124 0.000 1.185 282 I CB 1.778 39.717 38.000 -0.102 0.000 1.341 282 I HN 0.474 nan 8.210 nan 0.000 0.455 283 I N 7.079 127.569 120.570 -0.134 0.000 2.362 283 I HA 0.380 4.550 4.170 0.000 0.000 0.289 283 I C -0.046 176.006 176.117 -0.107 0.000 0.994 283 I CA -0.618 60.618 61.300 -0.106 0.000 1.158 283 I CB 1.767 39.707 38.000 -0.100 0.000 1.315 283 I HN 0.302 nan 8.210 nan 0.000 0.451 284 I N 5.910 126.438 120.570 -0.071 0.000 2.312 284 I HA 0.502 4.672 4.170 0.000 0.000 0.291 284 I C 0.654 176.753 176.117 -0.030 0.000 1.031 284 I CA -0.057 61.207 61.300 -0.060 0.000 1.293 284 I CB 0.858 38.844 38.000 -0.024 0.000 1.403 284 I HN 0.829 nan 8.210 nan 0.000 0.484 285 G N 4.155 112.922 108.800 -0.055 0.000 3.055 285 G HA2 -0.117 3.844 3.960 0.000 0.000 0.686 285 G HA3 -0.117 3.844 3.960 0.000 0.000 0.686 285 G C -0.199 174.680 174.900 -0.035 0.000 1.087 285 G CA -0.309 44.773 45.100 -0.030 0.000 0.779 285 G HN 0.807 nan 8.290 nan 0.000 0.599 286 S N 1.446 117.124 115.700 -0.037 0.000 2.383 286 S HA 0.677 5.147 4.470 0.000 0.000 0.227 286 S C 1.024 175.621 174.600 -0.006 0.000 1.261 286 S CA 0.554 58.734 58.200 -0.033 0.000 1.262 286 S CB 0.773 63.940 63.200 -0.055 0.000 0.992 286 S HN 1.914 nan 8.310 nan 0.000 0.491 287 G N 0.647 109.456 108.800 0.015 0.000 2.532 287 G HA2 0.451 4.411 3.960 0.000 0.000 0.291 287 G HA3 0.451 4.411 3.960 0.000 0.000 0.291 287 G C 0.850 175.758 174.900 0.013 0.000 1.349 287 G CA -0.535 44.581 45.100 0.027 0.000 1.038 287 G HN 0.264 nan 8.290 nan 0.000 0.518 288 V N 0.757 120.674 119.914 0.005 0.000 2.332 288 V HA -0.218 3.902 4.120 0.000 0.000 0.248 288 V C 3.276 179.375 176.094 0.009 0.000 1.055 288 V CA 2.706 65.009 62.300 0.004 0.000 1.038 288 V CB -0.702 31.113 31.823 -0.013 0.000 0.651 288 V HN 0.828 nan 8.190 nan 0.000 0.450 289 S N 0.927 116.635 115.700 0.014 0.000 2.368 289 S HA -0.107 4.363 4.470 0.000 0.000 0.225 289 S C 2.133 176.735 174.600 0.004 0.000 1.030 289 S CA 1.427 59.635 58.200 0.012 0.000 0.999 289 S CB -1.054 62.163 63.200 0.027 0.000 0.844 289 S HN 0.530 nan 8.310 nan 0.000 0.459 290 G N 2.043 110.846 108.800 0.005 0.000 2.421 290 G HA2 -0.043 3.917 3.960 0.000 0.000 0.216 290 G HA3 -0.043 3.917 3.960 0.000 0.000 0.216 290 G C 1.491 176.373 174.900 -0.031 0.000 1.171 290 G CA 0.966 46.057 45.100 -0.015 0.000 0.775 290 G HN 0.499 nan 8.290 nan 0.000 0.543 291 L N 0.771 121.982 121.223 -0.021 0.000 2.017 291 L HA -0.043 4.297 4.340 0.000 0.000 0.208 291 L C 3.418 180.275 176.870 -0.023 0.000 1.073 291 L CA 1.118 55.943 54.840 -0.025 0.000 0.745 291 L CB -0.442 41.612 42.059 -0.009 0.000 0.894 291 L HN 0.289 nan 8.230 nan 0.000 0.432 292 A N -0.004 122.813 122.820 -0.005 0.000 1.902 292 A HA -0.177 4.143 4.320 0.000 0.000 0.217 292 A C 2.524 180.086 177.584 -0.037 0.000 1.181 292 A CA 1.810 53.850 52.037 0.004 0.000 0.623 292 A CB -0.751 18.261 19.000 0.019 0.000 0.818 292 A HN 0.406 nan 8.150 nan 0.000 0.443 293 A N -0.237 122.554 122.820 -0.048 0.000 1.930 293 A HA 0.201 4.521 4.320 0.000 0.000 0.217 293 A C 2.495 180.011 177.584 -0.112 0.000 1.175 293 A CA 1.961 53.953 52.037 -0.075 0.000 0.627 293 A CB -0.962 18.002 19.000 -0.061 0.000 0.815 293 A HN 1.024 nan 8.150 nan 0.000 0.443 294 A N -0.131 122.629 122.820 -0.099 0.000 1.877 294 A HA -0.168 4.153 4.320 0.000 0.000 0.216 294 A C 2.259 179.758 177.584 -0.142 0.000 1.186 294 A CA 1.476 53.444 52.037 -0.115 0.000 0.620 294 A CB -0.495 18.448 19.000 -0.096 0.000 0.822 294 A HN 0.520 nan 8.150 nan 0.000 0.443 295 R N -0.853 119.571 120.500 -0.127 0.000 2.081 295 R HA -0.139 4.201 4.340 0.000 0.000 0.235 295 R C 2.435 178.588 176.300 -0.246 0.000 1.131 295 R CA 1.453 57.465 56.100 -0.148 0.000 0.960 295 R CB -0.343 29.901 30.300 -0.093 0.000 0.856 295 R HN 0.569 nan 8.270 nan 0.000 0.436 296 Q N 0.771 120.391 119.800 -0.300 0.000 2.020 296 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 296 Q C 2.388 177.835 176.000 -0.922 0.000 0.982 296 Q CA 1.380 56.798 55.803 -0.642 0.000 0.838 296 Q CB -0.433 28.020 28.738 -0.474 0.000 0.899 296 Q HN 0.369 nan 8.270 nan 0.000 0.423 297 L N 0.611 121.558 121.223 -0.459 0.000 2.042 297 L HA -0.249 4.091 4.340 0.000 0.000 0.210 297 L C 2.731 179.484 176.870 -0.195 0.000 1.076 297 L CA 1.402 56.095 54.840 -0.245 0.000 0.749 297 L CB -0.452 41.530 42.059 -0.128 0.000 0.893 297 L HN 0.332 nan 8.230 nan 0.000 0.432 298 Q N -0.511 119.167 119.800 -0.202 0.000 2.084 298 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 298 Q C 2.392 178.317 176.000 -0.126 0.000 0.978 298 Q CA 1.863 57.586 55.803 -0.134 0.000 0.844 298 Q CB 0.056 28.717 28.738 -0.128 0.000 0.898 298 Q HN 0.364 nan 8.270 nan 0.000 0.426 299 S N -0.109 115.455 115.700 -0.228 0.000 2.400 299 S HA -0.107 4.363 4.470 0.000 0.000 0.232 299 S C 1.182 175.804 174.600 0.037 0.000 1.025 299 S CA 0.878 58.990 58.200 -0.147 0.000 0.993 299 S CB -0.176 62.874 63.200 -0.250 0.000 0.808 299 S HN 0.374 nan 8.310 nan 0.000 0.478 300 F N 0.659 120.609 119.950 -0.001 0.000 2.748 300 F HA 0.280 4.808 4.527 0.000 0.000 0.299 300 F C 1.971 177.774 175.800 0.005 0.000 1.154 300 F CA -0.002 57.998 58.000 0.001 0.000 1.446 300 F CB -0.958 38.032 39.000 -0.016 0.000 1.112 300 F HN 0.300 nan 8.300 nan 0.000 0.584 301 G N 0.025 108.909 108.800 0.141 0.000 2.134 301 G HA2 -0.247 3.714 3.960 0.000 0.000 0.209 301 G HA3 -0.247 3.714 3.960 0.000 0.000 0.209 301 G C 0.245 175.175 174.900 0.050 0.000 0.993 301 G CA -0.198 44.950 45.100 0.081 0.000 0.669 301 G HN 0.207 nan 8.290 nan 0.000 0.519 302 M N 0.295 119.916 119.600 0.034 0.000 2.471 302 M HA 0.403 4.883 4.480 0.000 0.000 0.309 302 M C -0.253 176.026 176.300 -0.034 0.000 1.186 302 M CA -0.684 54.613 55.300 -0.004 0.000 1.008 302 M CB 0.911 33.501 32.600 -0.017 0.000 1.551 302 M HN 0.089 nan 8.290 nan 0.000 0.477 303 D N 1.652 122.025 120.400 -0.046 0.000 2.313 303 D HA 0.406 5.046 4.640 0.000 0.000 0.239 303 D C -1.574 174.683 176.300 -0.072 0.000 1.142 303 D CA -0.104 53.866 54.000 -0.050 0.000 0.847 303 D CB 0.917 41.694 40.800 -0.039 0.000 1.082 303 D HN 0.210 nan 8.370 nan 0.000 0.480 304 V N 3.445 123.313 119.914 -0.078 0.000 2.588 304 V HA 0.479 4.599 4.120 0.000 0.000 0.304 304 V C 0.139 176.172 176.094 -0.102 0.000 1.042 304 V CA -0.617 61.624 62.300 -0.097 0.000 0.877 304 V CB 2.238 33.998 31.823 -0.105 0.000 0.996 304 V HN 0.567 nan 8.190 nan 0.000 0.425 305 T N 5.628 120.107 114.554 -0.124 0.000 2.886 305 T HA 0.716 5.066 4.350 0.000 0.000 0.292 305 T C -0.857 173.727 174.700 -0.194 0.000 1.012 305 T CA -0.399 61.606 62.100 -0.158 0.000 0.982 305 T CB 1.484 70.246 68.868 -0.177 0.000 1.018 305 T HN 0.284 nan 8.240 nan 0.000 0.451 306 L N 3.159 124.268 121.223 -0.190 0.000 2.317 306 L HA 0.594 4.934 4.340 0.000 0.000 0.281 306 L C -0.585 176.143 176.870 -0.237 0.000 1.024 306 L CA -0.517 54.212 54.840 -0.185 0.000 0.810 306 L CB 1.201 43.180 42.059 -0.134 0.000 1.240 306 L HN 0.440 nan 8.230 nan 0.000 0.427 307 L N 2.860 123.935 121.223 -0.247 0.000 2.287 307 L HA 0.591 4.932 4.340 0.000 0.000 0.287 307 L C -0.458 176.294 176.870 -0.198 0.000 1.022 307 L CA -0.527 54.153 54.840 -0.268 0.000 0.814 307 L CB 1.637 43.513 42.059 -0.306 0.000 1.217 307 L HN 0.516 nan 8.230 nan 0.000 0.420 308 E N 2.116 122.195 120.200 -0.201 0.000 2.224 308 E HA 0.526 4.876 4.350 0.000 0.000 0.265 308 E C 0.158 176.580 176.600 -0.297 0.000 0.878 308 E CA -0.318 55.956 56.400 -0.209 0.000 0.759 308 E CB 2.093 31.696 29.700 -0.161 0.000 1.164 308 E HN 0.561 nan 8.360 nan 0.000 0.414 309 A N 5.242 127.783 122.820 -0.465 0.000 1.873 309 A HA -0.026 4.294 4.320 0.000 0.000 0.215 309 A C 1.074 178.211 177.584 -0.745 0.000 1.186 309 A CA 0.956 52.497 52.037 -0.827 0.000 0.616 309 A CB -0.296 17.688 19.000 -1.693 0.000 0.823 309 A HN 0.633 nan 8.150 nan 0.000 0.442 310 R N 0.229 120.361 120.500 -0.613 0.000 2.822 310 R HA 0.164 4.504 4.340 0.000 0.000 0.277 310 R C -0.031 176.174 176.300 -0.159 0.000 1.102 310 R CA 0.382 56.296 56.100 -0.310 0.000 1.207 310 R CB 0.072 30.290 30.300 -0.138 0.000 1.139 310 R HN 0.532 nan 8.270 nan 0.000 0.557 311 D N 0.240 120.602 120.400 -0.064 0.000 2.395 311 D HA 0.030 4.670 4.640 0.000 0.000 0.226 311 D C -0.066 176.220 176.300 -0.024 0.000 1.146 311 D CA -0.146 53.832 54.000 -0.037 0.000 0.830 311 D CB -0.063 40.735 40.800 -0.003 0.000 0.958 311 D HN 0.470 nan 8.370 nan 0.000 0.501 312 R N -1.563 118.920 120.500 -0.028 0.000 2.733 312 R HA 0.583 4.923 4.340 0.000 0.000 0.272 312 R C -0.824 175.467 176.300 -0.014 0.000 1.029 312 R CA -1.097 54.998 56.100 -0.009 0.000 0.888 312 R CB 0.926 31.238 30.300 0.021 0.000 1.251 312 R HN -0.104 nan 8.270 nan 0.000 0.464 313 V N -2.077 117.836 119.914 -0.002 0.000 3.336 313 V HA 0.869 4.989 4.120 0.000 0.000 0.314 313 V C 0.944 177.055 176.094 0.029 0.000 1.088 313 V CA 0.388 62.687 62.300 -0.001 0.000 1.033 313 V CB 0.746 32.564 31.823 -0.008 0.000 1.181 313 V HN 1.250 nan 8.190 nan 0.000 0.449 314 G N -0.972 107.846 108.800 0.031 0.000 2.308 314 G HA2 0.066 4.026 3.960 0.000 0.000 0.221 314 G HA3 0.066 4.026 3.960 0.000 0.000 0.221 314 G C 1.757 176.695 174.900 0.064 0.000 1.032 314 G CA 0.850 45.977 45.100 0.045 0.000 0.623 314 G HN 2.689 nan 8.290 nan 0.000 0.506 315 G N 0.553 109.411 108.800 0.097 0.000 2.634 315 G HA2 -0.416 3.544 3.960 0.000 0.000 0.318 315 G HA3 -0.416 3.544 3.960 0.000 0.000 0.318 315 G C 0.922 175.952 174.900 0.217 0.000 1.207 315 G CA 1.505 46.697 45.100 0.153 0.000 0.987 315 G HN 1.240 nan 8.290 nan 0.000 0.547 316 R N -0.150 120.422 120.500 0.120 0.000 2.339 316 R HA 0.271 4.612 4.340 0.000 0.000 0.199 316 R C 0.264 176.538 176.300 -0.044 0.000 1.018 316 R CA 0.376 56.456 56.100 -0.033 0.000 1.036 316 R CB 0.021 30.208 30.300 -0.189 0.000 0.899 316 R HN 0.194 nan 8.270 nan 0.000 0.473 317 V N 1.384 121.307 119.914 0.016 0.000 2.277 317 V HA 0.448 4.568 4.120 0.000 0.000 0.269 317 V C -0.353 175.811 176.094 0.117 0.000 1.036 317 V CA -0.605 61.679 62.300 -0.027 0.000 0.821 317 V CB 1.142 32.872 31.823 -0.155 0.000 1.052 317 V HN 0.119 nan 8.190 nan 0.000 0.462 318 A N 3.689 126.634 122.820 0.208 0.000 2.353 318 A HA 0.827 5.148 4.320 0.000 0.000 0.299 318 A C -0.131 177.588 177.584 0.224 0.000 1.089 318 A CA -0.463 51.723 52.037 0.247 0.000 0.736 318 A CB 1.448 20.671 19.000 0.372 0.000 1.195 318 A HN 0.575 nan 8.150 nan 0.000 0.447 319 T N 2.116 116.775 114.554 0.176 0.000 2.829 319 T HA 0.507 4.857 4.350 0.000 0.000 0.280 319 T C -0.727 174.068 174.700 0.158 0.000 0.999 319 T CA -0.162 62.032 62.100 0.156 0.000 0.983 319 T CB 0.805 69.742 68.868 0.115 0.000 0.968 319 T HN 0.509 nan 8.240 nan 0.000 0.446 320 F N 3.692 123.641 119.950 -0.003 0.000 2.420 320 F HA 0.577 5.104 4.527 0.000 0.000 0.352 320 F C 0.252 176.039 175.800 -0.022 0.000 1.108 320 F CA -0.919 57.071 58.000 -0.017 0.000 1.162 320 F CB 0.437 39.413 39.000 -0.040 0.000 1.118 320 F HN 0.380 nan 8.300 nan 0.000 0.510 321 R N 5.606 125.688 120.500 -0.696 0.000 2.502 321 R HA 0.392 4.732 4.340 0.000 0.000 0.298 321 R C -1.465 174.434 176.300 -0.668 0.000 1.018 321 R CA -1.003 54.761 56.100 -0.559 0.000 0.899 321 R CB 1.930 32.087 30.300 -0.238 0.000 1.181 321 R HN 0.665 nan 8.270 nan 0.000 0.444 322 K N 2.009 122.068 120.400 -0.568 0.000 2.619 322 K HA 0.350 4.671 4.320 0.000 0.000 0.251 322 K C 0.163 176.723 176.600 -0.068 0.000 0.987 322 K CA 0.240 56.352 56.287 -0.292 0.000 0.844 322 K CB 1.421 33.748 32.500 -0.288 0.000 1.237 322 K HN 0.666 nan 8.250 nan 0.000 0.447 323 G N 3.683 112.441 108.800 -0.071 0.000 2.574 323 G HA2 -0.362 3.598 3.960 0.000 0.000 0.301 323 G HA3 -0.362 3.598 3.960 0.000 0.000 0.301 323 G C 0.287 175.100 174.900 -0.145 0.000 1.166 323 G CA 0.467 45.514 45.100 -0.087 0.000 0.971 323 G HN 0.642 nan 8.290 nan 0.000 0.542 324 N N 0.248 118.790 118.700 -0.264 0.000 2.205 324 N HA 0.207 4.947 4.740 0.000 0.000 0.201 324 N C -0.108 175.278 175.510 -0.207 0.000 1.128 324 N CA 0.153 53.063 53.050 -0.234 0.000 0.867 324 N CB 0.280 38.615 38.487 -0.253 0.000 0.996 324 N HN 0.446 nan 8.380 nan 0.000 0.503 325 Y N 0.744 121.014 120.300 -0.049 0.000 2.442 325 Y HA 0.267 4.817 4.550 0.000 0.000 0.330 325 Y C 0.563 176.366 175.900 -0.162 0.000 1.129 325 Y CA -0.318 57.757 58.100 -0.040 0.000 1.365 325 Y CB 0.797 39.282 38.460 0.042 0.000 1.233 325 Y HN -0.326 nan 8.280 nan 0.000 0.529 326 V N 2.611 122.508 119.914 -0.027 0.000 2.612 326 V HA 0.849 4.970 4.120 0.000 0.000 0.301 326 V C -0.725 175.013 176.094 -0.592 0.000 1.059 326 V CA -0.982 61.181 62.300 -0.227 0.000 0.886 326 V CB 1.597 33.310 31.823 -0.183 0.000 1.007 326 V HN 0.841 nan 8.190 nan 0.000 0.426 327 A N 3.095 125.706 122.820 -0.349 0.000 2.465 327 A HA 0.666 4.986 4.320 0.000 0.000 0.292 327 A C -1.196 176.373 177.584 -0.025 0.000 1.041 327 A CA -0.667 51.131 52.037 -0.399 0.000 0.718 327 A CB 1.203 20.150 19.000 -0.089 0.000 1.266 327 A HN 0.691 nan 8.150 nan 0.000 0.403 328 D N 2.533 122.978 120.400 0.075 0.000 2.351 328 D HA 0.273 4.914 4.640 0.000 0.000 0.251 328 D C 0.859 177.272 176.300 0.189 0.000 1.137 328 D CA -0.010 54.099 54.000 0.182 0.000 0.879 328 D CB 1.654 42.602 40.800 0.246 0.000 1.181 328 D HN 0.508 nan 8.370 nan 0.000 0.448 329 L N 1.508 122.878 121.223 0.246 0.000 2.477 329 L HA 0.154 4.494 4.340 0.000 0.000 0.220 329 L C 1.605 178.792 176.870 0.529 0.000 1.106 329 L CA 0.223 55.258 54.840 0.325 0.000 0.851 329 L CB 0.246 42.463 42.059 0.263 0.000 0.994 329 L HN 0.366 nan 8.230 nan 0.000 0.462 330 G N -0.547 108.488 108.800 0.392 0.000 3.310 330 G HA2 0.530 4.491 3.960 0.000 0.000 0.176 330 G HA3 0.530 4.491 3.960 0.000 0.000 0.176 330 G C -0.252 174.681 174.900 0.055 0.000 1.307 330 G CA 0.157 45.336 45.100 0.132 0.000 0.935 330 G HN 0.133 nan 8.290 nan 0.000 0.628 331 A N -0.488 122.306 122.820 -0.043 0.000 2.561 331 A HA 0.424 4.745 4.320 0.000 0.000 0.234 331 A C 0.759 178.451 177.584 0.180 0.000 1.055 331 A CA 1.330 53.350 52.037 -0.029 0.000 0.756 331 A CB 0.216 19.047 19.000 -0.281 0.000 0.986 331 A HN 0.843 nan 8.150 nan 0.000 0.505 332 M N 2.127 121.869 119.600 0.237 0.000 1.957 332 M HA 0.209 4.689 4.480 0.000 0.000 0.281 332 M C -0.950 175.453 176.300 0.172 0.000 1.076 332 M CA 0.419 55.859 55.300 0.234 0.000 1.083 332 M CB 0.710 33.323 32.600 0.022 0.000 1.933 332 M HN 0.399 nan 8.290 nan 0.000 0.667 333 V N 2.167 122.187 119.914 0.177 0.000 2.483 333 V HA 0.432 4.552 4.120 0.000 0.000 0.295 333 V C -0.368 175.883 176.094 0.262 0.000 1.035 333 V CA -0.804 61.598 62.300 0.169 0.000 0.896 333 V CB 1.616 33.546 31.823 0.179 0.000 0.986 333 V HN 0.015 nan 8.190 nan 0.000 0.447 334 V N 3.780 123.816 119.914 0.202 0.000 2.328 334 V HA 0.226 4.346 4.120 0.000 0.000 0.278 334 V C 0.828 177.062 176.094 0.234 0.000 1.021 334 V CA -0.337 62.088 62.300 0.208 0.000 0.838 334 V CB 1.570 33.437 31.823 0.074 0.000 0.999 334 V HN 1.045 nan 8.190 nan 0.000 0.447 335 T N 1.320 116.060 114.554 0.310 0.000 4.099 335 T HA 0.516 4.867 4.350 0.000 0.000 0.223 335 T C 0.664 175.372 174.700 0.015 0.000 0.968 335 T CA 0.206 62.476 62.100 0.283 0.000 0.966 335 T CB -0.463 68.658 68.868 0.423 0.000 1.328 335 T HN 1.545 nan 8.240 nan 0.000 0.783 336 G N 0.700 109.451 108.800 -0.083 0.000 2.895 336 G HA2 -0.128 3.832 3.960 0.000 0.000 0.686 336 G HA3 -0.128 3.832 3.960 0.000 0.000 0.686 336 G C 0.014 174.893 174.900 -0.035 0.000 1.108 336 G CA -0.646 44.417 45.100 -0.062 0.000 0.761 336 G HN 0.465 nan 8.290 nan 0.000 0.611 337 L N 1.436 122.617 121.223 -0.071 0.000 2.477 337 L HA 0.250 4.591 4.340 0.000 0.000 0.220 337 L C 2.232 178.993 176.870 -0.182 0.000 1.106 337 L CA 0.675 55.428 54.840 -0.145 0.000 0.851 337 L CB 0.050 42.060 42.059 -0.082 0.000 0.994 337 L HN 0.822 nan 8.230 nan 0.000 0.462 338 G N -0.123 108.654 108.800 -0.039 0.000 2.469 338 G HA2 0.340 4.300 3.960 0.000 0.000 0.293 338 G HA3 0.340 4.300 3.960 0.000 0.000 0.293 338 G C 1.065 175.880 174.900 -0.142 0.000 0.982 338 G CA 0.504 45.676 45.100 0.120 0.000 1.401 338 G HN 0.419 nan 8.290 nan 0.000 0.453 339 G N 2.074 110.667 108.800 -0.345 0.000 2.175 339 G HA2 -0.296 3.664 3.960 0.000 0.000 0.244 339 G HA3 -0.296 3.664 3.960 0.000 0.000 0.244 339 G C 0.501 174.853 174.900 -0.913 0.000 0.982 339 G CA 0.110 44.876 45.100 -0.557 0.000 0.641 339 G HN 0.916 nan 8.290 nan 0.000 0.527 340 N N 1.396 119.340 118.700 -1.260 0.000 2.422 340 N HA 0.388 5.128 4.740 0.000 0.000 0.264 340 N C -0.453 174.738 175.510 -0.531 0.000 1.063 340 N CA -1.836 50.350 53.050 -1.440 0.000 0.959 340 N CB 1.768 39.492 38.487 -1.272 0.000 1.087 340 N HN 0.089 nan 8.380 nan 0.000 0.483 341 P HA -0.116 nan 4.420 nan 0.000 0.222 341 P C 1.209 178.566 177.300 0.095 0.000 1.147 341 P CA 0.892 63.980 63.100 -0.020 0.000 0.790 341 P CB 0.251 31.900 31.700 -0.085 0.000 0.780 342 M N -0.606 118.999 119.600 0.008 0.000 2.460 342 M HA -0.003 4.478 4.480 0.000 0.000 0.263 342 M C 2.078 178.384 176.300 0.010 0.000 1.071 342 M CA 0.727 56.069 55.300 0.070 0.000 1.096 342 M CB -1.732 30.933 32.600 0.108 0.000 1.408 342 M HN -0.058 nan 8.290 nan 0.000 0.463 343 A N -0.231 122.555 122.820 -0.057 0.000 1.930 343 A HA -0.045 4.275 4.320 0.000 0.000 0.217 343 A C 2.466 180.017 177.584 -0.056 0.000 1.175 343 A CA 1.372 53.366 52.037 -0.072 0.000 0.627 343 A CB -0.725 18.209 19.000 -0.109 0.000 0.815 343 A HN 0.269 nan 8.150 nan 0.000 0.443 344 V N -0.346 119.559 119.914 -0.016 0.000 2.307 344 V HA -0.206 3.914 4.120 0.000 0.000 0.245 344 V C 2.595 178.646 176.094 -0.072 0.000 1.045 344 V CA 1.927 64.174 62.300 -0.088 0.000 1.024 344 V CB -0.613 31.177 31.823 -0.056 0.000 0.651 344 V HN 0.365 nan 8.190 nan 0.000 0.449 345 V N 0.934 120.875 119.914 0.045 0.000 2.392 345 V HA -0.253 3.867 4.120 0.000 0.000 0.249 345 V C 2.695 178.797 176.094 0.014 0.000 1.059 345 V CA 2.355 64.691 62.300 0.061 0.000 1.051 345 V CB -0.935 30.977 31.823 0.147 0.000 0.658 345 V HN 0.768 nan 8.190 nan 0.000 0.455 346 S N -0.511 115.186 115.700 -0.005 0.000 2.474 346 S HA -0.179 4.292 4.470 0.000 0.000 0.235 346 S C 1.849 176.421 174.600 -0.047 0.000 0.997 346 S CA 1.342 59.525 58.200 -0.028 0.000 0.949 346 S CB -0.320 62.855 63.200 -0.041 0.000 0.766 346 S HN 0.653 nan 8.310 nan 0.000 0.517 347 K N 0.300 120.656 120.400 -0.072 0.000 2.314 347 K HA 0.176 4.496 4.320 0.000 0.000 0.198 347 K C 2.436 178.985 176.600 -0.084 0.000 1.045 347 K CA 0.674 56.905 56.287 -0.093 0.000 0.988 347 K CB 0.019 32.432 32.500 -0.144 0.000 0.783 347 K HN 0.510 nan 8.250 nan 0.000 0.484 348 Q N 0.012 119.770 119.800 -0.071 0.000 2.250 348 Q HA 0.048 4.389 4.340 0.000 0.000 0.200 348 Q C 0.215 176.204 176.000 -0.018 0.000 0.941 348 Q CA 0.499 56.276 55.803 -0.044 0.000 0.872 348 Q CB 0.622 29.346 28.738 -0.023 0.000 0.965 348 Q HN -0.008 nan 8.270 nan 0.000 0.480 349 V N 1.741 121.649 119.914 -0.009 0.000 2.732 349 V HA 0.130 4.251 4.120 0.000 0.000 0.310 349 V C 0.133 176.224 176.094 -0.005 0.000 1.053 349 V CA -1.012 61.290 62.300 0.003 0.000 0.957 349 V CB 1.696 33.534 31.823 0.027 0.000 1.018 349 V HN 0.174 nan 8.190 nan 0.000 0.452 350 N N 3.543 122.242 118.700 -0.001 0.000 2.814 350 N HA 0.113 4.853 4.740 0.000 0.000 0.304 350 N C -0.572 174.937 175.510 -0.003 0.000 1.211 350 N CA 0.345 53.392 53.050 -0.004 0.000 1.158 350 N CB -0.267 38.220 38.487 -0.000 0.000 1.458 350 N HN 0.612 nan 8.380 nan 0.000 0.519 351 M N 0.983 120.575 119.600 -0.014 0.000 2.180 351 M HA 0.162 4.642 4.480 0.000 0.000 0.350 351 M C 0.182 176.465 176.300 -0.028 0.000 1.125 351 M CA -0.436 54.847 55.300 -0.027 0.000 1.031 351 M CB 1.490 34.060 32.600 -0.050 0.000 1.623 351 M HN 0.186 nan 8.290 nan 0.000 0.451 352 E N 4.852 125.039 120.200 -0.021 0.000 2.167 352 E HA 0.341 4.692 4.350 0.000 0.000 0.247 352 E C -1.339 175.248 176.600 -0.022 0.000 0.961 352 E CA -0.311 56.083 56.400 -0.011 0.000 0.797 352 E CB 0.521 30.228 29.700 0.011 0.000 1.182 352 E HN 0.622 nan 8.360 nan 0.000 0.437 353 L N 2.798 124.001 121.223 -0.033 0.000 2.331 353 L HA 0.496 4.837 4.340 0.000 0.000 0.278 353 L C 0.098 176.960 176.870 -0.014 0.000 1.106 353 L CA -0.465 54.353 54.840 -0.037 0.000 0.824 353 L CB 1.203 43.237 42.059 -0.042 0.000 1.142 353 L HN 0.449 nan 8.230 nan 0.000 0.443 354 A N 3.939 126.753 122.820 -0.010 0.000 2.356 354 A HA 0.519 4.839 4.320 0.000 0.000 0.310 354 A C -0.569 177.036 177.584 0.034 0.000 1.075 354 A CA -0.821 51.222 52.037 0.010 0.000 0.746 354 A CB 0.975 19.977 19.000 0.002 0.000 1.221 354 A HN 0.692 nan 8.150 nan 0.000 0.443 355 K N 1.333 121.764 120.400 0.052 0.000 2.436 355 K HA 0.252 4.572 4.320 0.000 0.000 0.275 355 K C -0.706 175.963 176.600 0.115 0.000 0.999 355 K CA 0.550 56.888 56.287 0.085 0.000 0.980 355 K CB 0.539 33.085 32.500 0.078 0.000 0.919 355 K HN 0.606 nan 8.250 nan 0.000 0.484 356 I N 4.130 124.800 120.570 0.166 0.000 2.297 356 I HA 0.074 4.245 4.170 0.000 0.000 0.291 356 I C 0.149 176.377 176.117 0.184 0.000 1.033 356 I CA -0.445 60.984 61.300 0.215 0.000 1.253 356 I CB 0.808 38.999 38.000 0.318 0.000 1.396 356 I HN 0.332 nan 8.210 nan 0.000 0.476 357 K N 6.176 126.666 120.400 0.150 0.000 2.412 357 K HA 0.058 4.379 4.320 0.000 0.000 0.281 357 K C 0.638 177.308 176.600 0.117 0.000 1.027 357 K CA -0.410 55.949 56.287 0.121 0.000 0.989 357 K CB 0.882 33.443 32.500 0.103 0.000 0.935 357 K HN 0.500 nan 8.250 nan 0.000 0.475 358 Q N 1.621 121.488 119.800 0.112 0.000 2.435 358 Q HA -0.048 4.292 4.340 0.000 0.000 0.207 358 Q C 0.113 176.155 176.000 0.070 0.000 0.956 358 Q CA 0.666 56.531 55.803 0.102 0.000 0.917 358 Q CB 0.058 28.869 28.738 0.122 0.000 0.997 358 Q HN 0.414 nan 8.270 nan 0.000 0.497 359 K N 0.700 121.137 120.400 0.060 0.000 2.447 359 K HA 0.022 4.342 4.320 0.000 0.000 0.281 359 K C -0.846 175.768 176.600 0.023 0.000 1.031 359 K CA 0.133 56.443 56.287 0.038 0.000 1.019 359 K CB 0.406 32.930 32.500 0.039 0.000 0.918 359 K HN 0.071 nan 8.250 nan 0.000 0.476 360 C N 8.562 127.855 119.300 -0.012 0.000 3.123 360 C HA 0.412 4.872 4.460 0.000 0.000 0.284 360 C C -2.525 172.384 174.990 -0.136 0.000 1.076 360 C CA -2.060 56.930 59.018 -0.046 0.000 1.416 360 C CB -0.016 27.691 27.740 -0.055 0.000 1.841 360 C HN 0.719 nan 8.230 nan 0.000 0.501 361 P HA 0.351 nan 4.420 nan 0.000 0.272 361 P C -1.015 176.027 177.300 -0.430 0.000 1.223 361 P CA 0.204 63.123 63.100 -0.302 0.000 0.784 361 P CB 0.783 32.288 31.700 -0.324 0.000 0.923 362 L N 1.843 122.689 121.223 -0.627 0.000 2.346 362 L HA 0.489 4.829 4.340 0.000 0.000 0.274 362 L C -0.551 175.922 176.870 -0.661 0.000 1.007 362 L CA -0.949 53.520 54.840 -0.617 0.000 0.818 362 L CB 1.309 42.919 42.059 -0.748 0.000 1.284 362 L HN 0.321 nan 8.230 nan 0.000 0.424 363 Y N 0.238 120.438 120.300 -0.166 0.000 2.350 363 Y HA 0.343 4.894 4.550 0.000 0.000 0.338 363 Y C 0.214 176.066 175.900 -0.081 0.000 0.961 363 Y CA -0.790 57.240 58.100 -0.117 0.000 1.100 363 Y CB 1.632 40.026 38.460 -0.110 0.000 1.179 363 Y HN 0.533 nan 8.280 nan 0.000 0.454 364 E N 1.049 121.268 120.200 0.032 0.000 2.410 364 E HA 0.185 4.535 4.350 0.000 0.000 0.255 364 E C 0.870 177.512 176.600 0.071 0.000 1.194 364 E CA 0.362 56.764 56.400 0.003 0.000 0.955 364 E CB 0.736 30.427 29.700 -0.014 0.000 0.988 364 E HN 0.871 nan 8.360 nan 0.000 0.461 365 A N 2.427 125.276 122.820 0.049 0.000 1.997 365 A HA -0.276 4.045 4.320 0.000 0.000 0.221 365 A C 1.662 179.316 177.584 0.117 0.000 1.172 365 A CA 2.198 54.319 52.037 0.140 0.000 0.645 365 A CB -0.806 18.261 19.000 0.111 0.000 0.813 365 A HN 0.727 nan 8.150 nan 0.000 0.454 366 N N -0.868 117.870 118.700 0.064 0.000 2.573 366 N HA 0.143 4.883 4.740 0.000 0.000 0.187 366 N C 1.135 176.660 175.510 0.024 0.000 1.107 366 N CA 1.662 54.735 53.050 0.038 0.000 0.918 366 N CB -0.655 37.844 38.487 0.020 0.000 0.966 366 N HN 0.991 nan 8.380 nan 0.000 0.448 367 G N -0.930 107.896 108.800 0.043 0.000 2.195 367 G HA2 -0.296 3.664 3.960 0.000 0.000 0.246 367 G HA3 -0.296 3.664 3.960 0.000 0.000 0.246 367 G C -0.246 174.672 174.900 0.031 0.000 0.984 367 G CA 0.184 45.282 45.100 -0.004 0.000 0.633 367 G HN 0.529 nan 8.290 nan 0.000 0.525 368 Q N 0.712 120.543 119.800 0.052 0.000 2.259 368 Q HA 0.667 5.007 4.340 0.000 0.000 0.249 368 Q C 0.751 176.792 176.000 0.068 0.000 0.914 368 Q CA 0.112 55.950 55.803 0.058 0.000 0.904 368 Q CB 1.356 30.098 28.738 0.008 0.000 1.213 368 Q HN 0.764 nan 8.270 nan 0.000 0.428 369 A N 2.057 124.898 122.820 0.035 0.000 2.466 369 A HA 0.205 4.525 4.320 0.000 0.000 0.238 369 A C -0.300 177.162 177.584 -0.204 0.000 1.074 369 A CA -0.401 51.498 52.037 -0.230 0.000 0.774 369 A CB 0.432 19.261 19.000 -0.285 0.000 1.015 369 A HN 0.548 nan 8.150 nan 0.000 0.498 370 V N 4.266 124.008 119.914 -0.287 0.000 2.432 370 V HA 0.234 4.354 4.120 0.000 0.000 0.271 370 V C -1.847 174.142 176.094 -0.174 0.000 1.046 370 V CA -1.045 61.132 62.300 -0.205 0.000 0.945 370 V CB 0.674 32.359 31.823 -0.231 0.000 0.992 370 V HN 0.827 nan 8.190 nan 0.000 0.471 371 P HA 0.083 nan 4.420 nan 0.000 0.266 371 P C 0.847 178.092 177.300 -0.091 0.000 1.193 371 P CA -0.084 62.960 63.100 -0.093 0.000 0.770 371 P CB 0.660 32.319 31.700 -0.067 0.000 0.836 372 K N 1.277 121.631 120.400 -0.077 0.000 2.044 372 K HA -0.232 4.089 4.320 0.000 0.000 0.210 372 K C 1.757 178.327 176.600 -0.049 0.000 1.049 372 K CA 1.666 57.915 56.287 -0.063 0.000 0.927 372 K CB -0.084 32.388 32.500 -0.047 0.000 0.713 372 K HN 0.525 nan 8.250 nan 0.000 0.443 373 E N 0.334 120.508 120.200 -0.043 0.000 2.049 373 E HA -0.220 4.130 4.350 0.000 0.000 0.198 373 E C 2.049 178.627 176.600 -0.037 0.000 1.007 373 E CA 1.165 57.544 56.400 -0.035 0.000 0.809 373 E CB 0.075 29.756 29.700 -0.032 0.000 0.749 373 E HN 0.135 nan 8.360 nan 0.000 0.450 374 K N 0.927 121.298 120.400 -0.047 0.000 1.973 374 K HA -0.164 4.157 4.320 0.000 0.000 0.212 374 K C 1.906 178.481 176.600 -0.041 0.000 1.047 374 K CA 1.096 57.355 56.287 -0.048 0.000 0.937 374 K CB -0.818 31.646 32.500 -0.060 0.000 0.721 374 K HN 0.078 nan 8.250 nan 0.000 0.440 375 D N 1.144 121.512 120.400 -0.054 0.000 2.204 375 D HA -0.216 4.425 4.640 0.000 0.000 0.189 375 D C 1.763 178.062 176.300 -0.002 0.000 1.006 375 D CA 1.707 55.684 54.000 -0.038 0.000 0.855 375 D CB 0.020 40.770 40.800 -0.083 0.000 0.946 375 D HN 0.321 nan 8.370 nan 0.000 0.448 376 E N -0.718 119.473 120.200 -0.015 0.000 2.051 376 E HA -0.164 4.186 4.350 0.000 0.000 0.192 376 E C 2.486 179.078 176.600 -0.012 0.000 0.991 376 E CA 0.764 57.160 56.400 -0.007 0.000 0.799 376 E CB -0.157 29.539 29.700 -0.007 0.000 0.748 376 E HN 0.381 nan 8.360 nan 0.000 0.449 377 M N 0.470 120.059 119.600 -0.019 0.000 2.080 377 M HA -0.186 4.294 4.480 0.000 0.000 0.260 377 M C 2.449 178.731 176.300 -0.030 0.000 1.068 377 M CA 1.298 56.585 55.300 -0.022 0.000 1.109 377 M CB -0.191 32.393 32.600 -0.027 0.000 1.342 377 M HN 0.014 nan 8.290 nan 0.000 0.405 378 V N -0.092 119.802 119.914 -0.033 0.000 2.427 378 V HA -0.249 3.872 4.120 0.000 0.000 0.248 378 V C 2.165 178.195 176.094 -0.108 0.000 1.051 378 V CA 1.904 64.179 62.300 -0.042 0.000 1.048 378 V CB -0.786 31.041 31.823 0.006 0.000 0.666 378 V HN 0.511 nan 8.190 nan 0.000 0.456 379 E N -0.135 119.974 120.200 -0.152 0.000 2.106 379 E HA -0.288 4.063 4.350 0.000 0.000 0.192 379 E C 2.313 178.879 176.600 -0.057 0.000 0.984 379 E CA 1.418 57.648 56.400 -0.283 0.000 0.806 379 E CB -0.020 29.593 29.700 -0.146 0.000 0.750 379 E HN 0.701 nan 8.360 nan 0.000 0.458 380 Q N 0.428 120.214 119.800 -0.023 0.000 2.084 380 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 380 Q C 1.962 177.966 176.000 0.008 0.000 0.978 380 Q CA 1.699 57.503 55.803 0.002 0.000 0.844 380 Q CB 0.010 28.749 28.738 0.003 0.000 0.898 380 Q HN 0.065 nan 8.270 nan 0.000 0.426 381 E N 0.029 120.235 120.200 0.010 0.000 2.077 381 E HA -0.186 4.164 4.350 0.000 0.000 0.193 381 E C 1.525 178.161 176.600 0.059 0.000 0.989 381 E CA 1.281 57.705 56.400 0.040 0.000 0.800 381 E CB -0.506 29.206 29.700 0.021 0.000 0.746 381 E HN 0.482 nan 8.360 nan 0.000 0.452 382 F N 1.233 121.103 119.950 -0.132 0.000 2.095 382 F HA -0.213 4.314 4.527 0.001 0.000 0.298 382 F C 1.729 177.514 175.800 -0.026 0.000 1.104 382 F CA 1.795 59.704 58.000 -0.152 0.000 1.232 382 F CB -0.462 38.326 39.000 -0.354 0.000 0.987 382 F HN 0.047 nan 8.300 nan 0.000 0.475 383 N N 0.643 119.216 118.700 -0.212 0.000 2.188 383 N HA -0.117 4.623 4.740 0.000 0.000 0.184 383 N C 1.988 177.413 175.510 -0.141 0.000 1.018 383 N CA 1.247 54.149 53.050 -0.247 0.000 0.858 383 N CB -0.413 38.035 38.487 -0.064 0.000 0.989 383 N HN 0.380 nan 8.380 nan 0.000 0.426 384 R N 0.585 121.048 120.500 -0.061 0.000 2.081 384 R HA 0.037 4.377 4.340 0.000 0.000 0.235 384 R C 2.265 178.558 176.300 -0.012 0.000 1.131 384 R CA 0.787 56.874 56.100 -0.020 0.000 0.960 384 R CB -0.327 29.981 30.300 0.013 0.000 0.856 384 R HN 0.185 nan 8.270 nan 0.000 0.436 385 L N 0.402 121.627 121.223 0.003 0.000 2.083 385 L HA -0.178 4.163 4.340 0.000 0.000 0.209 385 L C 2.266 179.142 176.870 0.009 0.000 1.083 385 L CA 1.055 55.925 54.840 0.050 0.000 0.752 385 L CB -0.353 41.806 42.059 0.168 0.000 0.899 385 L HN 0.209 nan 8.230 nan 0.000 0.433 386 L N -0.577 120.588 121.223 -0.097 0.000 2.027 386 L HA -0.207 4.133 4.340 0.000 0.000 0.206 386 L C 2.539 179.445 176.870 0.060 0.000 1.074 386 L CA 1.301 56.115 54.840 -0.042 0.000 0.745 386 L CB -0.443 41.534 42.059 -0.137 0.000 0.898 386 L HN 0.255 nan 8.230 nan 0.000 0.433 387 E N 0.008 120.224 120.200 0.026 0.000 2.097 387 E HA -0.273 4.077 4.350 0.000 0.000 0.196 387 E C 2.228 178.883 176.600 0.092 0.000 1.000 387 E CA 1.304 57.739 56.400 0.058 0.000 0.804 387 E CB -0.144 29.567 29.700 0.018 0.000 0.740 387 E HN 0.509 nan 8.360 nan 0.000 0.454 388 A N 0.755 123.613 122.820 0.064 0.000 1.933 388 A HA -0.194 4.126 4.320 0.000 0.000 0.218 388 A C 2.398 180.068 177.584 0.143 0.000 1.175 388 A CA 2.059 54.143 52.037 0.079 0.000 0.628 388 A CB -0.965 18.050 19.000 0.025 0.000 0.814 388 A HN 0.433 nan 8.150 nan 0.000 0.444 389 T N -3.402 111.229 114.554 0.127 0.000 2.951 389 T HA -0.087 4.264 4.350 0.000 0.000 0.268 389 T C 2.007 176.824 174.700 0.195 0.000 1.073 389 T CA 1.693 63.878 62.100 0.142 0.000 1.134 389 T CB -0.435 68.498 68.868 0.109 0.000 0.884 389 T HN 0.310 nan 8.240 nan 0.000 0.479 390 S N 0.125 115.965 115.700 0.233 0.000 2.383 390 S HA -0.083 4.387 4.470 0.000 0.000 0.227 390 S C 1.742 176.532 174.600 0.317 0.000 1.026 390 S CA 0.798 59.174 58.200 0.294 0.000 0.981 390 S CB -0.684 62.671 63.200 0.258 0.000 0.818 390 S HN 0.689 nan 8.310 nan 0.000 0.472 391 Y N 1.252 121.631 120.300 0.131 0.000 2.200 391 Y HA -0.020 4.530 4.550 0.000 0.000 0.290 391 Y C 1.944 177.896 175.900 0.087 0.000 1.137 391 Y CA 1.494 59.653 58.100 0.098 0.000 1.163 391 Y CB -0.456 38.029 38.460 0.041 0.000 0.988 391 Y HN 0.251 nan 8.280 nan 0.000 0.518 392 L N -0.401 120.914 121.223 0.153 0.000 2.127 392 L HA -0.219 4.121 4.340 0.000 0.000 0.211 392 L C 2.795 179.687 176.870 0.038 0.000 1.089 392 L CA 2.077 56.949 54.840 0.053 0.000 0.757 392 L CB -0.743 41.372 42.059 0.093 0.000 0.899 392 L HN 0.372 nan 8.230 nan 0.000 0.434 393 S N -1.777 113.941 115.700 0.030 0.000 2.371 393 S HA -0.125 4.346 4.470 0.000 0.000 0.219 393 S C 1.905 176.380 174.600 -0.209 0.000 1.040 393 S CA 0.763 58.912 58.200 -0.086 0.000 0.958 393 S CB -0.224 62.881 63.200 -0.159 0.000 0.860 393 S HN 0.616 nan 8.310 nan 0.000 0.487 394 H N 0.091 119.127 119.070 -0.057 0.000 2.512 394 H HA 0.304 4.860 4.556 0.000 0.000 0.279 394 H C 2.144 177.386 175.328 -0.142 0.000 0.999 394 H CA 0.942 56.945 56.048 -0.076 0.000 1.283 394 H CB 0.278 30.014 29.762 -0.043 0.000 1.421 394 H HN 0.290 nan 8.280 nan 0.000 0.554 395 Q N -0.388 119.298 119.800 -0.190 0.000 2.442 395 Q HA 0.195 4.535 4.340 0.000 0.000 0.228 395 Q C 1.601 177.432 176.000 -0.282 0.000 0.902 395 Q CA 0.444 56.049 55.803 -0.330 0.000 0.933 395 Q CB 0.864 29.149 28.738 -0.756 0.000 1.071 395 Q HN 0.436 nan 8.270 nan 0.000 0.562 396 L N 0.780 121.839 121.223 -0.275 0.000 2.607 396 L HA 0.137 4.477 4.340 0.000 0.000 0.228 396 L C 0.107 176.966 176.870 -0.018 0.000 1.123 396 L CA -0.082 54.686 54.840 -0.121 0.000 0.890 396 L CB 0.226 42.226 42.059 -0.098 0.000 1.103 396 L HN 0.096 nan 8.230 nan 0.000 0.468 397 D N 0.916 121.294 120.400 -0.036 0.000 2.701 397 D HA -0.294 4.346 4.640 0.000 0.000 0.235 397 D C -0.046 176.278 176.300 0.041 0.000 1.155 397 D CA 0.418 54.407 54.000 -0.019 0.000 0.649 397 D CB -1.129 39.656 40.800 -0.026 0.000 1.050 397 D HN 0.227 nan 8.370 nan 0.000 0.425 398 F N 1.058 120.957 119.950 -0.085 0.000 2.661 398 F HA 0.296 4.823 4.527 0.000 0.000 0.356 398 F C 0.874 176.635 175.800 -0.065 0.000 1.244 398 F CA -0.244 57.720 58.000 -0.060 0.000 1.290 398 F CB -0.127 38.845 39.000 -0.046 0.000 1.677 398 F HN -0.069 nan 8.300 nan 0.000 0.649 399 N N 2.185 120.738 118.700 -0.245 0.000 2.159 399 N HA 0.151 4.891 4.740 0.000 0.000 0.217 399 N C -0.963 174.382 175.510 -0.275 0.000 1.223 399 N CA 0.302 53.198 53.050 -0.256 0.000 0.896 399 N CB 1.555 39.943 38.487 -0.166 0.000 1.064 399 N HN 0.186 nan 8.380 nan 0.000 0.518 400 V N 1.768 121.495 119.914 -0.312 0.000 2.668 400 V HA 0.446 4.567 4.120 0.000 0.000 0.304 400 V C -1.335 174.593 176.094 -0.277 0.000 1.071 400 V CA -0.777 61.383 62.300 -0.233 0.000 0.894 400 V CB 2.829 34.573 31.823 -0.130 0.000 1.008 400 V HN -0.098 nan 8.190 nan 0.000 0.425 401 L N 4.916 125.997 121.223 -0.237 0.000 2.491 401 L HA 0.590 4.930 4.340 0.000 0.000 0.267 401 L C -0.069 176.746 176.870 -0.091 0.000 0.971 401 L CA 0.058 54.792 54.840 -0.178 0.000 0.857 401 L CB 1.148 43.067 42.059 -0.234 0.000 1.226 401 L HN 0.791 nan 8.230 nan 0.000 0.408 402 N N 3.459 122.126 118.700 -0.054 0.000 2.746 402 N HA -0.237 4.503 4.740 0.000 0.000 0.250 402 N C 0.165 175.653 175.510 -0.037 0.000 1.055 402 N CA 0.695 53.726 53.050 -0.033 0.000 0.699 402 N CB -1.277 37.197 38.487 -0.021 0.000 0.919 402 N HN 0.786 nan 8.380 nan 0.000 0.548 403 N N -2.216 116.458 118.700 -0.042 0.000 2.857 403 N HA -0.223 4.517 4.740 0.000 0.000 0.242 403 N C -0.918 174.566 175.510 -0.043 0.000 0.983 403 N CA 1.716 54.743 53.050 -0.038 0.000 0.934 403 N CB -0.364 38.109 38.487 -0.025 0.000 1.115 403 N HN 0.625 nan 8.380 nan 0.000 0.593 404 K N 0.507 120.873 120.400 -0.057 0.000 2.221 404 K HA 0.371 4.692 4.320 0.000 0.000 0.258 404 K C -2.502 174.048 176.600 -0.084 0.000 0.944 404 K CA -1.851 54.402 56.287 -0.056 0.000 0.823 404 K CB 1.794 34.266 32.500 -0.046 0.000 1.113 404 K HN -0.094 nan 8.250 nan 0.000 0.431 405 P HA -0.015 nan 4.420 nan 0.000 0.268 405 P C -0.207 177.033 177.300 -0.099 0.000 1.204 405 P CA -0.198 62.855 63.100 -0.077 0.000 0.768 405 P CB 0.527 32.211 31.700 -0.028 0.000 0.842 406 V N 3.351 123.170 119.914 -0.159 0.000 2.614 406 V HA 0.162 4.282 4.120 0.000 0.000 0.291 406 V C 1.220 177.267 176.094 -0.078 0.000 1.049 406 V CA 0.157 62.353 62.300 -0.174 0.000 1.038 406 V CB 0.807 32.425 31.823 -0.342 0.000 0.980 406 V HN 0.762 nan 8.190 nan 0.000 0.481 407 S N 4.294 119.963 115.700 -0.052 0.000 2.690 407 S HA 0.452 4.922 4.470 0.000 0.000 0.291 407 S C 0.654 175.218 174.600 -0.060 0.000 1.138 407 S CA -0.646 57.530 58.200 -0.039 0.000 1.013 407 S CB 1.497 64.668 63.200 -0.048 0.000 1.053 407 S HN 0.491 nan 8.310 nan 0.000 0.539 408 L N 2.320 123.468 121.223 -0.124 0.000 2.012 408 L HA 0.130 4.471 4.340 0.000 0.000 0.210 408 L C 2.382 179.127 176.870 -0.208 0.000 1.073 408 L CA 2.605 57.307 54.840 -0.230 0.000 0.748 408 L CB -1.688 40.057 42.059 -0.524 0.000 0.891 408 L HN 1.016 nan 8.230 nan 0.000 0.431 409 G N -1.401 107.268 108.800 -0.218 0.000 2.529 409 G HA2 -0.371 3.589 3.960 0.000 0.000 0.219 409 G HA3 -0.371 3.589 3.960 0.000 0.000 0.219 409 G C 1.507 176.325 174.900 -0.137 0.000 1.177 409 G CA 0.962 45.929 45.100 -0.222 0.000 0.773 409 G HN 0.531 nan 8.290 nan 0.000 0.573 410 Q N -0.017 119.744 119.800 -0.065 0.000 2.077 410 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 410 Q C 3.056 179.100 176.000 0.072 0.000 0.989 410 Q CA 1.571 57.382 55.803 0.015 0.000 0.853 410 Q CB -0.321 28.446 28.738 0.049 0.000 0.907 410 Q HN 0.494 nan 8.270 nan 0.000 0.418 411 A N 0.506 123.382 122.820 0.094 0.000 1.883 411 A HA -0.200 4.121 4.320 0.000 0.000 0.217 411 A C 2.041 179.637 177.584 0.019 0.000 1.186 411 A CA 1.325 53.439 52.037 0.128 0.000 0.624 411 A CB -0.800 18.281 19.000 0.135 0.000 0.822 411 A HN 0.345 nan 8.150 nan 0.000 0.444 412 L N -0.924 120.273 121.223 -0.043 0.000 2.042 412 L HA -0.229 4.112 4.340 0.000 0.000 0.210 412 L C 2.663 179.517 176.870 -0.026 0.000 1.076 412 L CA 1.896 56.705 54.840 -0.052 0.000 0.749 412 L CB -0.499 41.447 42.059 -0.188 0.000 0.893 412 L HN 0.555 nan 8.230 nan 0.000 0.432 413 E N -0.132 120.038 120.200 -0.049 0.000 2.085 413 E HA -0.210 4.140 4.350 0.000 0.000 0.194 413 E C 2.244 178.839 176.600 -0.008 0.000 0.994 413 E CA 1.460 57.849 56.400 -0.018 0.000 0.801 413 E CB 0.115 29.802 29.700 -0.022 0.000 0.743 413 E HN 0.257 nan 8.360 nan 0.000 0.453 414 V N 0.295 120.196 119.914 -0.021 0.000 2.295 414 V HA -0.241 3.880 4.120 0.000 0.000 0.246 414 V C 2.376 178.419 176.094 -0.085 0.000 1.049 414 V CA 1.399 63.655 62.300 -0.073 0.000 1.024 414 V CB -0.254 31.464 31.823 -0.174 0.000 0.648 414 V HN 0.200 nan 8.190 nan 0.000 0.447 415 V N -0.117 119.759 119.914 -0.064 0.000 2.332 415 V HA -0.277 3.843 4.120 0.000 0.000 0.248 415 V C 2.167 178.217 176.094 -0.073 0.000 1.055 415 V CA 2.267 64.531 62.300 -0.061 0.000 1.038 415 V CB -0.512 31.303 31.823 -0.013 0.000 0.651 415 V HN 0.449 nan 8.190 nan 0.000 0.450 416 I N -0.525 120.042 120.570 -0.006 0.000 2.252 416 I HA -0.288 3.882 4.170 0.000 0.000 0.245 416 I C 2.667 178.754 176.117 -0.050 0.000 1.102 416 I CA 1.501 62.815 61.300 0.023 0.000 1.385 416 I CB -0.343 37.769 38.000 0.187 0.000 1.064 416 I HN 0.354 nan 8.210 nan 0.000 0.414 417 Q N 0.071 119.855 119.800 -0.025 0.000 2.084 417 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 417 Q C 2.195 178.156 176.000 -0.065 0.000 0.978 417 Q CA 1.304 57.092 55.803 -0.026 0.000 0.844 417 Q CB -0.090 28.639 28.738 -0.015 0.000 0.898 417 Q HN 0.315 nan 8.270 nan 0.000 0.426 418 L N 0.572 121.739 121.223 -0.095 0.000 2.131 418 L HA -0.193 4.147 4.340 0.000 0.000 0.210 418 L C 2.167 178.958 176.870 -0.131 0.000 1.092 418 L CA 1.630 56.411 54.840 -0.099 0.000 0.759 418 L CB -0.592 41.402 42.059 -0.107 0.000 0.903 418 L HN 0.207 nan 8.230 nan 0.000 0.435 419 Q N -0.569 119.067 119.800 -0.273 0.000 2.172 419 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 419 Q C 2.142 177.960 176.000 -0.303 0.000 0.964 419 Q CA 1.010 56.537 55.803 -0.459 0.000 0.855 419 Q CB -0.166 27.842 28.738 -1.217 0.000 0.918 419 Q HN 0.565 nan 8.270 nan 0.000 0.444 420 E N 0.754 120.836 120.200 -0.197 0.000 2.106 420 E HA -0.160 4.191 4.350 0.000 0.000 0.192 420 E C 1.933 178.536 176.600 0.005 0.000 0.984 420 E CA 0.920 57.314 56.400 -0.009 0.000 0.806 420 E CB 0.003 29.733 29.700 0.050 0.000 0.750 420 E HN 0.245 nan 8.360 nan 0.000 0.458 421 K N 0.475 120.869 120.400 -0.009 0.000 2.057 421 K HA -0.253 4.067 4.320 0.000 0.000 0.207 421 K C 2.197 178.813 176.600 0.027 0.000 1.049 421 K CA 1.694 57.987 56.287 0.009 0.000 0.931 421 K CB -0.171 32.331 32.500 0.003 0.000 0.714 421 K HN 0.115 nan 8.250 nan 0.000 0.440 422 H N 0.173 119.206 119.070 -0.061 0.000 2.387 422 H HA -0.055 4.501 4.556 0.000 0.000 0.299 422 H C 1.728 177.046 175.328 -0.017 0.000 1.090 422 H CA 1.718 57.738 56.048 -0.047 0.000 1.332 422 H CB -0.112 29.604 29.762 -0.076 0.000 1.386 422 H HN 0.027 nan 8.280 nan 0.000 0.516 423 V N 0.666 120.525 119.914 -0.092 0.000 2.343 423 V HA -0.231 3.889 4.120 0.000 0.000 0.247 423 V C 2.227 178.270 176.094 -0.084 0.000 1.051 423 V CA 2.240 64.484 62.300 -0.094 0.000 1.036 423 V CB -0.321 31.532 31.823 0.049 0.000 0.654 423 V HN 0.444 nan 8.190 nan 0.000 0.451 424 K N -0.604 119.775 120.400 -0.034 0.000 2.155 424 K HA -0.119 4.202 4.320 0.000 0.000 0.203 424 K C 1.849 178.441 176.600 -0.013 0.000 1.052 424 K CA 1.245 57.534 56.287 0.002 0.000 0.948 424 K CB -0.195 32.319 32.500 0.023 0.000 0.728 424 K HN 0.436 nan 8.250 nan 0.000 0.448 425 D N 1.085 121.449 120.400 -0.060 0.000 2.144 425 D HA -0.133 4.507 4.640 0.000 0.000 0.200 425 D C 1.782 178.033 176.300 -0.081 0.000 0.978 425 D CA 1.040 55.009 54.000 -0.051 0.000 0.833 425 D CB 0.114 40.895 40.800 -0.031 0.000 0.961 425 D HN 0.182 nan 8.370 nan 0.000 0.470 426 E N 0.608 120.691 120.200 -0.196 0.000 2.107 426 E HA -0.118 4.232 4.350 0.000 0.000 0.191 426 E C 2.112 178.675 176.600 -0.062 0.000 0.982 426 E CA 0.472 56.770 56.400 -0.170 0.000 0.809 426 E CB -0.030 29.493 29.700 -0.295 0.000 0.756 426 E HN 0.431 nan 8.360 nan 0.000 0.459 427 Q N 0.375 120.165 119.800 -0.018 0.000 2.050 427 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 427 Q C 2.348 178.481 176.000 0.221 0.000 0.980 427 Q CA 1.038 56.898 55.803 0.094 0.000 0.840 427 Q CB -0.064 28.784 28.738 0.184 0.000 0.898 427 Q HN 0.274 nan 8.270 nan 0.000 0.424 428 I N 0.905 121.578 120.570 0.171 0.000 2.127 428 I HA -0.326 3.844 4.170 0.000 0.000 0.241 428 I C 2.438 178.634 176.117 0.130 0.000 1.075 428 I CA 1.763 63.169 61.300 0.177 0.000 1.334 428 I CB -0.426 37.633 38.000 0.098 0.000 1.040 428 I HN 0.331 nan 8.210 nan 0.000 0.405 429 E N 0.250 120.488 120.200 0.063 0.000 2.204 429 E HA -0.310 4.040 4.350 0.000 0.000 0.195 429 E C 2.156 178.763 176.600 0.011 0.000 0.990 429 E CA 1.475 57.894 56.400 0.032 0.000 0.821 429 E CB -0.520 29.188 29.700 0.012 0.000 0.750 429 E HN 0.591 nan 8.360 nan 0.000 0.477 430 H N -0.246 118.754 119.070 -0.118 0.000 2.333 430 H HA -0.096 4.460 4.556 0.000 0.000 0.302 430 H C 1.186 176.360 175.328 -0.256 0.000 1.075 430 H CA 1.740 57.632 56.048 -0.259 0.000 1.348 430 H CB -0.323 29.172 29.762 -0.444 0.000 1.393 430 H HN 0.355 nan 8.280 nan 0.000 0.509 431 W N 1.480 122.770 121.300 -0.017 0.000 2.465 431 W HA 0.009 4.669 4.660 0.000 0.000 0.268 431 W C 2.653 179.122 176.519 -0.083 0.000 1.242 431 W CA 0.142 57.446 57.345 -0.069 0.000 1.248 431 W CB 0.183 29.654 29.460 0.019 0.000 1.118 431 W HN 0.139 nan 8.180 nan 0.000 0.587 432 K N 0.446 120.914 120.400 0.114 0.000 2.296 432 K HA -0.071 4.249 4.320 0.000 0.000 0.200 432 K C 1.754 178.352 176.600 -0.003 0.000 1.048 432 K CA 0.836 57.158 56.287 0.058 0.000 0.966 432 K CB -0.068 32.460 32.500 0.047 0.000 0.754 432 K HN 0.113 nan 8.250 nan 0.000 0.466 433 K N 0.560 120.918 120.400 -0.071 0.000 2.167 433 K HA 0.026 4.346 4.320 0.000 0.000 0.203 433 K C 1.941 178.479 176.600 -0.102 0.000 1.052 433 K CA 0.699 56.927 56.287 -0.098 0.000 0.956 433 K CB 0.123 32.533 32.500 -0.150 0.000 0.735 433 K HN 0.086 nan 8.250 nan 0.000 0.451 434 I N 0.932 121.428 120.570 -0.123 0.000 2.202 434 I HA -0.250 3.920 4.170 0.000 0.000 0.242 434 I C 2.368 178.490 176.117 0.008 0.000 1.091 434 I CA 1.064 62.327 61.300 -0.061 0.000 1.368 434 I CB -0.468 37.526 38.000 -0.010 0.000 1.058 434 I HN -0.007 nan 8.210 nan 0.000 0.410 435 V N -0.629 119.308 119.914 0.038 0.000 2.343 435 V HA -0.290 3.830 4.120 0.000 0.000 0.247 435 V C 2.490 178.591 176.094 0.011 0.000 1.051 435 V CA 1.931 64.250 62.300 0.032 0.000 1.036 435 V CB -1.025 30.821 31.823 0.038 0.000 0.654 435 V HN 0.399 nan 8.190 nan 0.000 0.451 436 K N 0.394 120.795 120.400 0.001 0.000 2.044 436 K HA -0.207 4.114 4.320 0.000 0.000 0.210 436 K C 2.229 178.823 176.600 -0.010 0.000 1.049 436 K CA 2.402 58.685 56.287 -0.006 0.000 0.927 436 K CB -0.505 31.989 32.500 -0.011 0.000 0.713 436 K HN 0.633 nan 8.250 nan 0.000 0.443 437 T N 0.678 115.222 114.554 -0.017 0.000 2.737 437 T HA -0.144 4.207 4.350 0.000 0.000 0.265 437 T C 1.780 176.474 174.700 -0.010 0.000 1.038 437 T CA 1.360 63.448 62.100 -0.019 0.000 1.144 437 T CB -0.232 68.618 68.868 -0.029 0.000 0.866 437 T HN 0.270 nan 8.240 nan 0.000 0.434 438 Q N 1.113 120.912 119.800 -0.003 0.000 2.181 438 Q HA -0.108 4.232 4.340 0.000 0.000 0.205 438 Q C 2.069 178.070 176.000 0.002 0.000 0.980 438 Q CA 1.597 57.403 55.803 0.005 0.000 0.862 438 Q CB -0.157 28.591 28.738 0.017 0.000 0.905 438 Q HN 0.588 nan 8.270 nan 0.000 0.429 439 E N -0.573 119.627 120.200 0.001 0.000 2.112 439 E HA -0.135 4.215 4.350 0.000 0.000 0.190 439 E C 1.824 178.421 176.600 -0.004 0.000 0.979 439 E CA 0.710 57.109 56.400 -0.001 0.000 0.814 439 E CB 0.054 29.755 29.700 0.001 0.000 0.762 439 E HN 0.447 nan 8.360 nan 0.000 0.460 440 E N 0.505 120.700 120.200 -0.007 0.000 2.110 440 E HA -0.207 4.143 4.350 0.000 0.000 0.193 440 E C 2.081 178.673 176.600 -0.013 0.000 0.988 440 E CA 0.537 56.930 56.400 -0.011 0.000 0.804 440 E CB 0.013 29.705 29.700 -0.014 0.000 0.745 440 E HN 0.095 nan 8.360 nan 0.000 0.458 441 L N 1.774 122.990 121.223 -0.013 0.000 2.017 441 L HA -0.195 4.146 4.340 0.000 0.000 0.208 441 L C 2.226 179.089 176.870 -0.012 0.000 1.073 441 L CA 1.853 56.684 54.840 -0.015 0.000 0.745 441 L CB -0.380 41.673 42.059 -0.011 0.000 0.894 441 L HN -0.085 nan 8.230 nan 0.000 0.432 442 K N -0.498 119.898 120.400 -0.007 0.000 2.032 442 K HA -0.247 4.073 4.320 0.000 0.000 0.209 442 K C 2.038 178.635 176.600 -0.005 0.000 1.048 442 K CA 2.068 58.352 56.287 -0.004 0.000 0.927 442 K CB -0.169 32.331 32.500 -0.001 0.000 0.712 442 K HN 0.475 nan 8.250 nan 0.000 0.441 443 E N 0.352 120.548 120.200 -0.006 0.000 2.110 443 E HA -0.202 4.149 4.350 0.000 0.000 0.193 443 E C 2.060 178.654 176.600 -0.010 0.000 0.988 443 E CA 1.011 57.408 56.400 -0.006 0.000 0.804 443 E CB -0.034 29.663 29.700 -0.006 0.000 0.745 443 E HN 0.202 nan 8.360 nan 0.000 0.458 444 L N 0.733 121.946 121.223 -0.018 0.000 2.056 444 L HA -0.150 4.190 4.340 0.000 0.000 0.207 444 L C 2.076 178.927 176.870 -0.031 0.000 1.078 444 L CA 1.281 56.103 54.840 -0.030 0.000 0.749 444 L CB -0.115 41.920 42.059 -0.041 0.000 0.901 444 L HN 0.110 nan 8.230 nan 0.000 0.433 445 L N -0.609 120.600 121.223 -0.022 0.000 2.046 445 L HA -0.214 4.126 4.340 0.000 0.000 0.208 445 L C 2.377 179.250 176.870 0.004 0.000 1.077 445 L CA 1.103 55.936 54.840 -0.012 0.000 0.747 445 L CB -0.852 41.204 42.059 -0.005 0.000 0.896 445 L HN 0.372 nan 8.230 nan 0.000 0.432 446 N N 0.408 119.110 118.700 0.004 0.000 2.069 446 N HA -0.201 4.539 4.740 0.000 0.000 0.191 446 N C 1.843 177.363 175.510 0.017 0.000 1.031 446 N CA 1.394 54.450 53.050 0.011 0.000 0.852 446 N CB -0.081 38.411 38.487 0.007 0.000 1.018 446 N HN 0.316 nan 8.380 nan 0.000 0.423 447 K N 0.469 120.874 120.400 0.010 0.000 2.032 447 K HA -0.025 4.296 4.320 0.000 0.000 0.209 447 K C 2.230 178.852 176.600 0.036 0.000 1.048 447 K CA 1.177 57.473 56.287 0.015 0.000 0.927 447 K CB -0.070 32.431 32.500 0.001 0.000 0.712 447 K HN 0.141 nan 8.250 nan 0.000 0.441 448 M N 0.057 119.671 119.600 0.025 0.000 2.108 448 M HA -0.195 4.285 4.480 0.000 0.000 0.261 448 M C 2.146 178.540 176.300 0.157 0.000 1.066 448 M CA 1.358 56.704 55.300 0.076 0.000 1.107 448 M CB -0.185 32.400 32.600 -0.026 0.000 1.356 448 M HN -0.020 nan 8.290 nan 0.000 0.406 449 V N 0.839 120.808 119.914 0.091 0.000 2.343 449 V HA -0.260 3.860 4.120 0.000 0.000 0.247 449 V C 2.014 178.144 176.094 0.060 0.000 1.051 449 V CA 1.688 64.034 62.300 0.076 0.000 1.036 449 V CB -0.799 31.052 31.823 0.046 0.000 0.654 449 V HN 0.479 nan 8.190 nan 0.000 0.451 450 N N -0.134 118.597 118.700 0.051 0.000 2.188 450 N HA -0.103 4.638 4.740 0.000 0.000 0.184 450 N C 1.646 177.185 175.510 0.048 0.000 1.018 450 N CA 1.037 54.111 53.050 0.040 0.000 0.858 450 N CB -0.321 38.185 38.487 0.031 0.000 0.989 450 N HN 0.318 nan 8.380 nan 0.000 0.426 451 L N 1.895 123.165 121.223 0.077 0.000 2.093 451 L HA -0.028 4.312 4.340 0.000 0.000 0.208 451 L C 2.142 179.051 176.870 0.064 0.000 1.085 451 L CA 1.575 56.471 54.840 0.093 0.000 0.755 451 L CB -0.459 41.694 42.059 0.157 0.000 0.904 451 L HN 0.027 nan 8.230 nan 0.000 0.435 452 K N -0.921 119.517 120.400 0.064 0.000 2.148 452 K HA -0.149 4.171 4.320 0.000 0.000 0.204 452 K C 1.812 178.389 176.600 -0.037 0.000 1.050 452 K CA 1.062 57.324 56.287 -0.042 0.000 0.942 452 K CB 0.145 32.624 32.500 -0.034 0.000 0.724 452 K HN 0.300 nan 8.250 nan 0.000 0.446 453 E N 1.034 121.233 120.200 -0.002 0.000 2.047 453 E HA -0.178 4.172 4.350 0.000 0.000 0.191 453 E C 1.892 178.491 176.600 -0.002 0.000 0.987 453 E CA 1.243 57.641 56.400 -0.003 0.000 0.799 453 E CB -0.106 29.599 29.700 0.008 0.000 0.752 453 E HN 0.295 nan 8.360 nan 0.000 0.449 454 K N 0.460 120.864 120.400 0.007 0.000 2.063 454 K HA -0.084 4.236 4.320 0.000 0.000 0.208 454 K C 2.338 178.939 176.600 0.003 0.000 1.048 454 K CA 1.015 57.308 56.287 0.010 0.000 0.928 454 K CB -0.221 32.290 32.500 0.018 0.000 0.713 454 K HN 0.065 nan 8.250 nan 0.000 0.442 455 I N 1.167 121.728 120.570 -0.016 0.000 2.226 455 I HA -0.291 3.879 4.170 0.000 0.000 0.245 455 I C 2.572 178.677 176.117 -0.019 0.000 1.100 455 I CA 1.070 62.350 61.300 -0.034 0.000 1.374 455 I CB -0.183 37.761 38.000 -0.095 0.000 1.057 455 I HN 0.121 nan 8.210 nan 0.000 0.413 456 K N 1.066 121.444 120.400 -0.037 0.000 2.063 456 K HA -0.275 4.046 4.320 0.000 0.000 0.208 456 K C 2.007 178.626 176.600 0.032 0.000 1.048 456 K CA 1.979 58.250 56.287 -0.027 0.000 0.928 456 K CB -0.128 32.349 32.500 -0.039 0.000 0.713 456 K HN 0.360 nan 8.250 nan 0.000 0.442 457 E N 0.382 120.598 120.200 0.025 0.000 2.047 457 E HA -0.119 4.231 4.350 0.000 0.000 0.191 457 E C 2.300 178.930 176.600 0.050 0.000 0.987 457 E CA 0.756 57.177 56.400 0.034 0.000 0.799 457 E CB -0.048 29.665 29.700 0.021 0.000 0.752 457 E HN 0.247 nan 8.360 nan 0.000 0.449 458 L N -0.011 121.240 121.223 0.047 0.000 2.046 458 L HA -0.212 4.128 4.340 0.000 0.000 0.208 458 L C 2.562 179.480 176.870 0.080 0.000 1.077 458 L CA 1.719 56.588 54.840 0.047 0.000 0.747 458 L CB -0.429 41.644 42.059 0.023 0.000 0.896 458 L HN 0.360 nan 8.230 nan 0.000 0.432 459 H N -0.665 118.401 119.070 -0.006 0.000 2.352 459 H HA -0.267 4.290 4.556 0.000 0.000 0.299 459 H C 2.283 177.650 175.328 0.065 0.000 1.097 459 H CA 2.097 58.153 56.048 0.014 0.000 1.311 459 H CB 0.177 29.921 29.762 -0.031 0.000 1.377 459 H HN 0.180 nan 8.280 nan 0.000 0.504 460 Q N 0.508 120.398 119.800 0.150 0.000 2.084 460 Q HA -0.170 4.171 4.340 0.000 0.000 0.202 460 Q C 2.314 178.324 176.000 0.018 0.000 0.978 460 Q CA 2.001 57.852 55.803 0.080 0.000 0.844 460 Q CB -0.125 28.655 28.738 0.070 0.000 0.898 460 Q HN 0.658 nan 8.270 nan 0.000 0.426 461 Q N -1.523 118.293 119.800 0.027 0.000 2.079 461 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 461 Q C 1.815 177.806 176.000 -0.015 0.000 0.974 461 Q CA 1.525 57.332 55.803 0.006 0.000 0.840 461 Q CB -0.286 28.463 28.738 0.018 0.000 0.898 461 Q HN 0.566 nan 8.270 nan 0.000 0.430 462 Y N 1.248 121.471 120.300 -0.127 0.000 2.181 462 Y HA -0.273 4.277 4.550 0.000 0.000 0.288 462 Y C 2.080 177.871 175.900 -0.181 0.000 1.146 462 Y CA 1.566 59.565 58.100 -0.168 0.000 1.164 462 Y CB 0.167 38.483 38.460 -0.239 0.000 0.982 462 Y HN -0.131 nan 8.280 nan 0.000 0.515 463 K N 0.666 120.943 120.400 -0.206 0.000 2.097 463 K HA -0.168 4.152 4.320 0.000 0.000 0.206 463 K C 1.951 178.428 176.600 -0.205 0.000 1.049 463 K CA 1.960 58.106 56.287 -0.236 0.000 0.933 463 K CB -0.157 32.267 32.500 -0.126 0.000 0.717 463 K HN 0.473 nan 8.250 nan 0.000 0.442 464 E N -0.911 119.203 120.200 -0.143 0.000 2.107 464 E HA -0.085 4.265 4.350 0.000 0.000 0.191 464 E C 1.791 178.309 176.600 -0.137 0.000 0.982 464 E CA 0.972 57.308 56.400 -0.107 0.000 0.809 464 E CB -0.047 29.615 29.700 -0.062 0.000 0.756 464 E HN 0.372 nan 8.360 nan 0.000 0.459 465 A N 0.359 123.069 122.820 -0.184 0.000 1.969 465 A HA -0.112 4.209 4.320 0.000 0.000 0.218 465 A C 2.179 179.622 177.584 -0.235 0.000 1.169 465 A CA 1.260 53.186 52.037 -0.185 0.000 0.635 465 A CB -0.226 18.663 19.000 -0.186 0.000 0.810 465 A HN 0.098 nan 8.150 nan 0.000 0.445 466 S N -0.105 115.377 115.700 -0.364 0.000 2.555 466 S HA -0.030 4.440 4.470 0.000 0.000 0.230 466 S C 1.481 175.970 174.600 -0.185 0.000 0.978 466 S CA 0.630 58.630 58.200 -0.332 0.000 0.934 466 S CB -0.132 62.781 63.200 -0.479 0.000 0.766 466 S HN 0.536 nan 8.310 nan 0.000 0.533 467 E N 0.874 120.986 120.200 -0.147 0.000 2.230 467 E HA 0.052 4.402 4.350 0.000 0.000 0.192 467 E C 0.370 176.928 176.600 -0.070 0.000 0.987 467 E CA 0.255 56.600 56.400 -0.092 0.000 0.841 467 E CB -0.093 29.563 29.700 -0.074 0.000 0.783 467 E HN 0.242 nan 8.360 nan 0.000 0.481 468 V N 3.936 123.806 119.914 -0.074 0.000 2.381 468 V HA 0.028 4.148 4.120 0.000 0.000 0.257 468 V C 0.672 176.735 176.094 -0.050 0.000 1.057 468 V CA -0.016 62.254 62.300 -0.051 0.000 1.013 468 V CB 0.087 31.884 31.823 -0.044 0.000 1.069 468 V HN -0.070 nan 8.190 nan 0.000 0.484 469 K N 6.484 126.861 120.400 -0.039 0.000 2.118 469 K HA 0.453 4.773 4.320 0.000 0.000 0.264 469 K C -2.193 174.395 176.600 -0.021 0.000 1.000 469 K CA -1.509 54.759 56.287 -0.032 0.000 0.929 469 K CB 1.520 34.004 32.500 -0.027 0.000 1.021 469 K HN 0.372 nan 8.250 nan 0.000 0.463 470 P HA 0.210 nan 4.420 nan 0.000 0.274 470 P C -2.341 174.956 177.300 -0.006 0.000 1.256 470 P CA -1.058 62.038 63.100 -0.008 0.000 0.795 470 P CB -0.651 31.047 31.700 -0.004 0.000 1.038 471 P HA 0.223 nan 4.420 nan 0.000 0.276 471 P C -0.328 176.972 177.300 -0.000 0.000 1.230 471 P CA 0.044 63.144 63.100 -0.000 0.000 0.776 471 P CB 0.752 32.453 31.700 0.001 0.000 0.888 472 R N 0.778 121.279 120.500 0.003 0.000 2.807 472 R HA 0.463 4.803 4.340 0.000 0.000 0.276 472 R C -0.574 175.734 176.300 0.012 0.000 0.979 472 R CA -0.947 55.156 56.100 0.005 0.000 0.928 472 R CB 0.899 31.200 30.300 0.001 0.000 1.191 472 R HN 0.356 nan 8.270 nan 0.000 0.471 473 D N 0.918 121.327 120.400 0.014 0.000 2.362 473 D HA -0.077 4.563 4.640 0.000 0.000 0.238 473 D C 0.939 177.258 176.300 0.032 0.000 1.212 473 D CA -0.533 53.477 54.000 0.018 0.000 0.902 473 D CB 0.636 41.445 40.800 0.015 0.000 1.180 473 D HN 0.532 nan 8.370 nan 0.000 0.445 474 I N 0.361 120.951 120.570 0.033 0.000 2.567 474 I HA -0.220 3.950 4.170 0.000 0.000 0.257 474 I C 2.132 178.306 176.117 0.096 0.000 1.184 474 I CA 1.845 63.176 61.300 0.053 0.000 1.451 474 I CB -0.627 37.392 38.000 0.031 0.000 1.089 474 I HN 0.713 nan 8.210 nan 0.000 0.441 475 T N -2.082 112.520 114.554 0.081 0.000 2.857 475 T HA -0.016 4.334 4.350 0.000 0.000 0.266 475 T C 2.035 176.828 174.700 0.156 0.000 1.048 475 T CA 0.819 62.999 62.100 0.134 0.000 1.139 475 T CB -0.824 68.094 68.868 0.083 0.000 0.874 475 T HN 0.266 nan 8.240 nan 0.000 0.455 476 A N 1.860 124.731 122.820 0.084 0.000 1.902 476 A HA -0.074 4.246 4.320 0.000 0.000 0.217 476 A C 2.310 179.921 177.584 0.045 0.000 1.181 476 A CA 1.986 54.052 52.037 0.047 0.000 0.623 476 A CB -0.905 18.106 19.000 0.019 0.000 0.818 476 A HN 0.586 nan 8.150 nan 0.000 0.443 477 E N -0.901 119.339 120.200 0.067 0.000 2.077 477 E HA -0.176 4.174 4.350 0.000 0.000 0.193 477 E C 1.652 178.312 176.600 0.100 0.000 0.989 477 E CA 1.436 57.875 56.400 0.066 0.000 0.800 477 E CB -0.445 29.299 29.700 0.073 0.000 0.746 477 E HN 0.533 nan 8.360 nan 0.000 0.452 478 F N 0.385 120.342 119.950 0.012 0.000 2.126 478 F HA -0.160 4.367 4.527 0.000 0.000 0.299 478 F C 1.881 177.700 175.800 0.031 0.000 1.096 478 F CA 1.282 59.294 58.000 0.020 0.000 1.255 478 F CB -0.536 38.472 39.000 0.014 0.000 0.997 478 F HN 0.200 nan 8.300 nan 0.000 0.479 479 L N -0.028 121.152 121.223 -0.072 0.000 2.012 479 L HA -0.186 4.154 4.340 0.000 0.000 0.210 479 L C 2.362 179.142 176.870 -0.150 0.000 1.073 479 L CA 1.732 56.479 54.840 -0.154 0.000 0.748 479 L CB -1.104 40.939 42.059 -0.027 0.000 0.891 479 L HN 0.084 nan 8.230 nan 0.000 0.431 480 V N -0.170 119.694 119.914 -0.084 0.000 2.261 480 V HA -0.303 3.817 4.120 0.000 0.000 0.246 480 V C 2.687 178.840 176.094 0.098 0.000 1.047 480 V CA 1.949 64.231 62.300 -0.029 0.000 1.015 480 V CB -0.701 31.086 31.823 -0.059 0.000 0.642 480 V HN 0.428 nan 8.190 nan 0.000 0.446 481 K N 0.069 120.474 120.400 0.008 0.000 2.057 481 K HA -0.166 4.155 4.320 0.000 0.000 0.207 481 K C 2.511 179.056 176.600 -0.091 0.000 1.049 481 K CA 1.766 58.052 56.287 -0.002 0.000 0.931 481 K CB -0.666 31.821 32.500 -0.022 0.000 0.714 481 K HN 0.507 nan 8.250 nan 0.000 0.440 482 S N 1.213 116.707 115.700 -0.344 0.000 2.356 482 S HA -0.124 4.346 4.470 0.000 0.000 0.223 482 S C 1.886 176.390 174.600 -0.161 0.000 1.032 482 S CA 1.173 59.112 58.200 -0.433 0.000 1.005 482 S CB 0.059 62.663 63.200 -0.993 0.000 0.867 482 S HN 0.123 nan 8.310 nan 0.000 0.449 483 K N 0.597 120.951 120.400 -0.077 0.000 2.097 483 K HA -0.095 4.225 4.320 0.000 0.000 0.206 483 K C 2.124 178.757 176.600 0.055 0.000 1.049 483 K CA 1.247 57.551 56.287 0.029 0.000 0.933 483 K CB -0.994 31.573 32.500 0.112 0.000 0.717 483 K HN 0.586 nan 8.250 nan 0.000 0.442 484 H N 1.657 120.717 119.070 -0.016 0.000 2.290 484 H HA -0.078 4.478 4.556 0.000 0.000 0.298 484 H C 2.142 177.391 175.328 -0.132 0.000 1.087 484 H CA 1.670 57.614 56.048 -0.172 0.000 1.291 484 H CB 0.094 29.805 29.762 -0.085 0.000 1.369 484 H HN 0.066 nan 8.280 nan 0.000 0.492 485 R N 0.358 120.923 120.500 0.109 0.000 2.091 485 R HA -0.127 4.214 4.340 0.000 0.000 0.238 485 R C 1.613 177.930 176.300 0.028 0.000 1.136 485 R CA 1.865 57.987 56.100 0.037 0.000 0.959 485 R CB -0.117 30.175 30.300 -0.013 0.000 0.856 485 R HN 0.351 nan 8.270 nan 0.000 0.437 486 D N 0.699 121.105 120.400 0.010 0.000 2.144 486 D HA -0.166 4.474 4.640 0.000 0.000 0.199 486 D C 1.798 178.098 176.300 0.000 0.000 0.984 486 D CA 0.676 54.679 54.000 0.005 0.000 0.834 486 D CB -0.203 40.596 40.800 -0.002 0.000 0.955 486 D HN 0.158 nan 8.370 nan 0.000 0.465 487 L N 0.710 121.921 121.223 -0.021 0.000 2.027 487 L HA -0.095 4.245 4.340 0.000 0.000 0.206 487 L C 2.130 178.982 176.870 -0.030 0.000 1.074 487 L CA 1.712 56.521 54.840 -0.052 0.000 0.745 487 L CB -0.976 40.991 42.059 -0.154 0.000 0.898 487 L HN -0.051 nan 8.230 nan 0.000 0.433 488 T N -0.067 114.490 114.554 0.005 0.000 2.708 488 T HA -0.165 4.185 4.350 0.000 0.000 0.266 488 T C 1.927 176.640 174.700 0.023 0.000 1.037 488 T CA 1.375 63.491 62.100 0.027 0.000 1.146 488 T CB -0.597 68.315 68.868 0.072 0.000 0.865 488 T HN 0.498 nan 8.240 nan 0.000 0.435 489 A N 1.402 124.236 122.820 0.023 0.000 1.883 489 A HA -0.043 4.277 4.320 0.000 0.000 0.217 489 A C 2.332 179.934 177.584 0.029 0.000 1.186 489 A CA 1.329 53.380 52.037 0.023 0.000 0.624 489 A CB -0.915 18.098 19.000 0.021 0.000 0.822 489 A HN 0.478 nan 8.150 nan 0.000 0.444 490 L N -1.002 120.236 121.223 0.026 0.000 2.093 490 L HA -0.208 4.133 4.340 0.000 0.000 0.208 490 L C 2.631 179.535 176.870 0.057 0.000 1.085 490 L CA 1.085 55.948 54.840 0.037 0.000 0.755 490 L CB -0.650 41.423 42.059 0.024 0.000 0.904 490 L HN 0.500 nan 8.230 nan 0.000 0.435 491 C N -0.202 119.118 119.300 0.034 0.000 2.435 491 C HA -0.134 4.327 4.460 0.000 0.000 0.279 491 C C 2.766 177.810 174.990 0.090 0.000 1.321 491 C CA 0.623 59.669 59.018 0.046 0.000 1.752 491 C CB -0.579 27.162 27.740 0.000 0.000 1.959 491 C HN 0.401 nan 8.230 nan 0.000 0.500 492 K N 0.654 121.091 120.400 0.062 0.000 2.103 492 K HA -0.091 4.229 4.320 0.000 0.000 0.204 492 K C 2.047 178.683 176.600 0.060 0.000 1.052 492 K CA 1.008 57.328 56.287 0.054 0.000 0.945 492 K CB -0.101 32.419 32.500 0.034 0.000 0.722 492 K HN 0.521 nan 8.250 nan 0.000 0.443 493 E N -0.675 119.565 120.200 0.067 0.000 2.106 493 E HA -0.211 4.139 4.350 0.000 0.000 0.192 493 E C 1.696 178.338 176.600 0.070 0.000 0.984 493 E CA 1.068 57.502 56.400 0.057 0.000 0.806 493 E CB -0.046 29.689 29.700 0.058 0.000 0.750 493 E HN 0.336 nan 8.360 nan 0.000 0.458 494 Y N 1.952 122.249 120.300 -0.006 0.000 2.200 494 Y HA -0.199 4.351 4.550 0.000 0.000 0.290 494 Y C 1.768 177.664 175.900 -0.007 0.000 1.137 494 Y CA 1.628 59.724 58.100 -0.007 0.000 1.163 494 Y CB 0.108 38.562 38.460 -0.011 0.000 0.988 494 Y HN -0.032 nan 8.280 nan 0.000 0.518 495 D N 0.078 120.551 120.400 0.123 0.000 2.178 495 D HA -0.156 4.485 4.640 0.000 0.000 0.202 495 D C 1.883 178.163 176.300 -0.035 0.000 0.974 495 D CA 1.396 55.425 54.000 0.047 0.000 0.841 495 D CB -0.130 40.714 40.800 0.074 0.000 0.953 495 D HN 0.578 nan 8.370 nan 0.000 0.478 496 E N -0.133 120.048 120.200 -0.032 0.000 2.072 496 E HA -0.093 4.257 4.350 0.000 0.000 0.190 496 E C 1.941 178.493 176.600 -0.081 0.000 0.982 496 E CA 0.341 56.716 56.400 -0.042 0.000 0.803 496 E CB 0.080 29.767 29.700 -0.021 0.000 0.755 496 E HN 0.155 nan 8.360 nan 0.000 0.453 497 L N 0.693 121.837 121.223 -0.131 0.000 2.156 497 L HA -0.067 4.273 4.340 0.000 0.000 0.208 497 L C 2.285 179.023 176.870 -0.220 0.000 1.095 497 L CA 1.361 56.098 54.840 -0.172 0.000 0.770 497 L CB -0.839 41.096 42.059 -0.207 0.000 0.914 497 L HN 0.032 nan 8.230 nan 0.000 0.439 498 A N -0.969 121.676 122.820 -0.291 0.000 1.969 498 A HA -0.204 4.116 4.320 0.000 0.000 0.218 498 A C 2.318 179.830 177.584 -0.119 0.000 1.169 498 A CA 1.483 53.374 52.037 -0.242 0.000 0.635 498 A CB -0.386 18.473 19.000 -0.236 0.000 0.810 498 A HN 0.423 nan 8.150 nan 0.000 0.445 499 E N -0.452 119.693 120.200 -0.091 0.000 2.072 499 E HA -0.116 4.235 4.350 0.000 0.000 0.191 499 E C 1.889 178.457 176.600 -0.052 0.000 0.985 499 E CA 1.792 58.160 56.400 -0.054 0.000 0.801 499 E CB -0.237 29.439 29.700 -0.040 0.000 0.750 499 E HN 0.488 nan 8.360 nan 0.000 0.452 500 T N 0.457 114.973 114.554 -0.063 0.000 2.867 500 T HA -0.153 4.197 4.350 0.000 0.000 0.268 500 T C 1.690 176.358 174.700 -0.054 0.000 1.057 500 T CA 1.132 63.200 62.100 -0.053 0.000 1.136 500 T CB -0.159 68.676 68.868 -0.054 0.000 0.874 500 T HN 0.249 nan 8.240 nan 0.000 0.466 501 Q N 0.569 120.327 119.800 -0.071 0.000 2.084 501 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 501 Q C 2.568 178.543 176.000 -0.042 0.000 0.978 501 Q CA 1.629 57.395 55.803 -0.061 0.000 0.844 501 Q CB -0.476 28.213 28.738 -0.082 0.000 0.898 501 Q HN 0.575 nan 8.270 nan 0.000 0.426 502 G N 0.539 109.315 108.800 -0.040 0.000 2.443 502 G HA2 -0.219 3.742 3.960 0.000 0.000 0.219 502 G HA3 -0.219 3.742 3.960 0.000 0.000 0.219 502 G C 1.353 176.240 174.900 -0.022 0.000 1.131 502 G CA 0.620 45.704 45.100 -0.027 0.000 0.775 502 G HN 0.264 nan 8.290 nan 0.000 0.547 503 K N -0.387 119.998 120.400 -0.025 0.000 2.031 503 K HA 0.200 4.520 4.320 0.000 0.000 0.205 503 K C 2.453 179.040 176.600 -0.021 0.000 1.049 503 K CA 0.471 56.745 56.287 -0.022 0.000 0.939 503 K CB -0.184 32.303 32.500 -0.023 0.000 0.717 503 K HN 0.233 nan 8.250 nan 0.000 0.438 504 L N 0.517 121.726 121.223 -0.024 0.000 2.056 504 L HA -0.150 4.191 4.340 0.000 0.000 0.207 504 L C 2.368 179.228 176.870 -0.018 0.000 1.078 504 L CA 1.186 56.013 54.840 -0.022 0.000 0.749 504 L CB -0.310 41.735 42.059 -0.024 0.000 0.901 504 L HN 0.239 nan 8.230 nan 0.000 0.433 505 E N 0.470 120.660 120.200 -0.016 0.000 2.085 505 E HA -0.281 4.069 4.350 0.000 0.000 0.194 505 E C 2.053 178.648 176.600 -0.008 0.000 0.994 505 E CA 1.748 58.142 56.400 -0.010 0.000 0.801 505 E CB 0.110 29.804 29.700 -0.010 0.000 0.743 505 E HN 0.611 nan 8.360 nan 0.000 0.453 506 E N 0.353 120.547 120.200 -0.010 0.000 2.152 506 E HA -0.189 4.161 4.350 0.000 0.000 0.192 506 E C 2.003 178.597 176.600 -0.010 0.000 0.983 506 E CA 0.801 57.197 56.400 -0.008 0.000 0.818 506 E CB -0.138 29.557 29.700 -0.008 0.000 0.758 506 E HN 0.010 nan 8.360 nan 0.000 0.467 507 K N 0.690 121.081 120.400 -0.014 0.000 2.280 507 K HA -0.064 4.256 4.320 0.000 0.000 0.202 507 K C 1.944 178.530 176.600 -0.023 0.000 1.047 507 K CA 0.720 56.996 56.287 -0.019 0.000 0.942 507 K CB 0.059 32.545 32.500 -0.023 0.000 0.739 507 K HN 0.255 nan 8.250 nan 0.000 0.457 508 L N 0.103 121.315 121.223 -0.017 0.000 2.202 508 L HA -0.077 4.264 4.340 0.000 0.000 0.205 508 L C 2.224 179.093 176.870 -0.003 0.000 1.083 508 L CA 0.779 55.610 54.840 -0.014 0.000 0.790 508 L CB -0.124 41.933 42.059 -0.002 0.000 0.942 508 L HN 0.155 nan 8.230 nan 0.000 0.452 509 Q N -0.305 119.497 119.800 0.003 0.000 2.364 509 Q HA -0.233 4.107 4.340 0.000 0.000 0.207 509 Q C 1.837 177.841 176.000 0.007 0.000 0.970 509 Q CA 1.181 56.990 55.803 0.010 0.000 0.888 509 Q CB 0.112 28.855 28.738 0.009 0.000 0.951 509 Q HN 0.471 nan 8.270 nan 0.000 0.469 510 E N 0.755 120.953 120.200 -0.002 0.000 2.051 510 E HA -0.131 4.219 4.350 0.000 0.000 0.189 510 E C 1.745 178.346 176.600 0.002 0.000 0.979 510 E CA 0.503 56.901 56.400 -0.003 0.000 0.803 510 E CB 0.058 29.752 29.700 -0.010 0.000 0.761 510 E HN 0.267 nan 8.360 nan 0.000 0.451 511 L N 0.633 121.848 121.223 -0.012 0.000 2.056 511 L HA -0.096 4.244 4.340 0.000 0.000 0.207 511 L C 2.521 179.419 176.870 0.046 0.000 1.078 511 L CA 1.313 56.148 54.840 -0.009 0.000 0.749 511 L CB -0.340 41.625 42.059 -0.156 0.000 0.901 511 L HN 0.162 nan 8.230 nan 0.000 0.433 512 E N 0.173 120.381 120.200 0.014 0.000 2.160 512 E HA -0.214 4.136 4.350 0.000 0.000 0.195 512 E C 2.157 178.785 176.600 0.046 0.000 0.991 512 E CA 1.194 57.627 56.400 0.054 0.000 0.810 512 E CB -0.079 29.667 29.700 0.077 0.000 0.742 512 E HN 0.497 nan 8.360 nan 0.000 0.466 513 A N 0.448 123.284 122.820 0.025 0.000 2.123 513 A HA 0.014 4.334 4.320 0.000 0.000 0.214 513 A C 0.811 178.384 177.584 -0.019 0.000 1.152 513 A CA 0.301 52.343 52.037 0.008 0.000 0.728 513 A CB 0.283 19.286 19.000 0.006 0.000 0.814 513 A HN 0.066 nan 8.150 nan 0.000 0.464 514 N N 1.414 120.100 118.700 -0.022 0.000 2.914 514 N HA 0.235 4.975 4.740 0.000 0.000 0.304 514 N C -3.031 172.333 175.510 -0.244 0.000 1.727 514 N CA -0.907 52.098 53.050 -0.075 0.000 0.986 514 N CB 0.869 39.336 38.487 -0.033 0.000 1.297 514 N HN 0.323 nan 8.380 nan 0.000 0.490 515 P HA 0.309 nan 4.420 nan 0.000 0.276 515 P C -2.259 174.743 177.300 -0.497 0.000 1.244 515 P CA -0.804 61.856 63.100 -0.733 0.000 0.801 515 P CB 0.447 31.905 31.700 -0.404 0.000 1.006 516 P HA 0.150 nan 4.420 nan 0.000 0.293 516 P C -0.459 176.740 177.300 -0.168 0.000 1.304 516 P CA -0.367 62.563 63.100 -0.283 0.000 0.767 516 P CB 0.267 31.805 31.700 -0.269 0.000 1.247 517 S N 0.106 115.754 115.700 -0.088 0.000 2.562 517 S HA -0.010 4.460 4.470 0.000 0.000 0.281 517 S C 0.973 175.569 174.600 -0.005 0.000 1.333 517 S CA -0.232 57.949 58.200 -0.032 0.000 1.052 517 S CB 0.246 63.452 63.200 0.009 0.000 0.884 517 S HN 0.546 nan 8.310 nan 0.000 0.506 518 D N 0.925 121.334 120.400 0.015 0.000 2.137 518 D HA -0.042 4.598 4.640 0.000 0.000 0.202 518 D C 0.629 176.962 176.300 0.055 0.000 0.970 518 D CA 0.935 54.960 54.000 0.042 0.000 0.837 518 D CB 0.128 40.951 40.800 0.038 0.000 0.981 518 D HN 0.471 nan 8.370 nan 0.000 0.475 519 V N -2.396 117.552 119.914 0.056 0.000 3.130 519 V HA 0.343 4.464 4.120 0.000 0.000 0.310 519 V C 0.599 176.768 176.094 0.126 0.000 1.158 519 V CA -0.971 61.379 62.300 0.083 0.000 1.029 519 V CB 1.280 33.136 31.823 0.055 0.000 1.057 519 V HN 0.018 nan 8.190 nan 0.000 0.436 520 Y N 2.489 122.808 120.300 0.032 0.000 2.201 520 Y HA 0.480 5.030 4.550 0.001 0.000 0.292 520 Y C 0.371 176.294 175.900 0.038 0.000 1.119 520 Y CA 0.870 58.994 58.100 0.041 0.000 1.127 520 Y CB 0.244 38.735 38.460 0.052 0.000 1.019 520 Y HN 0.520 nan 8.280 nan 0.000 0.514 521 L N 1.127 122.243 121.223 -0.179 0.000 2.470 521 L HA 0.328 4.669 4.340 0.000 0.000 0.268 521 L C -0.002 176.823 176.870 -0.075 0.000 0.964 521 L CA -0.893 53.797 54.840 -0.250 0.000 0.839 521 L CB 2.009 43.853 42.059 -0.359 0.000 1.276 521 L HN 0.109 nan 8.230 nan 0.000 0.403 522 S N 0.841 116.504 115.700 -0.062 0.000 2.617 522 S HA 0.183 4.653 4.470 0.000 0.000 0.259 522 S C 1.134 175.725 174.600 -0.015 0.000 1.301 522 S CA -0.286 57.900 58.200 -0.023 0.000 0.984 522 S CB 1.346 64.532 63.200 -0.023 0.000 0.954 522 S HN 0.569 nan 8.310 nan 0.000 0.572 523 S N 0.185 115.885 115.700 -0.000 0.000 2.368 523 S HA -0.098 4.372 4.470 0.000 0.000 0.225 523 S C 2.011 176.612 174.600 0.000 0.000 1.030 523 S CA 1.291 59.495 58.200 0.008 0.000 0.999 523 S CB -0.504 62.703 63.200 0.011 0.000 0.844 523 S HN 0.710 nan 8.310 nan 0.000 0.459 524 R N 0.929 121.423 120.500 -0.010 0.000 2.066 524 R HA -0.089 4.251 4.340 0.000 0.000 0.232 524 R C 1.671 177.956 176.300 -0.025 0.000 1.131 524 R CA 1.695 57.785 56.100 -0.017 0.000 0.955 524 R CB -0.214 30.072 30.300 -0.023 0.000 0.851 524 R HN 0.301 nan 8.270 nan 0.000 0.432 525 D N -0.192 120.186 120.400 -0.037 0.000 2.123 525 D HA -0.195 4.445 4.640 0.000 0.000 0.196 525 D C 1.898 178.174 176.300 -0.039 0.000 0.992 525 D CA 1.119 55.087 54.000 -0.053 0.000 0.833 525 D CB -0.205 40.538 40.800 -0.094 0.000 0.954 525 D HN 0.103 nan 8.370 nan 0.000 0.455 526 R N 1.091 121.578 120.500 -0.020 0.000 2.096 526 R HA -0.103 4.238 4.340 0.000 0.000 0.235 526 R C 2.095 178.417 176.300 0.036 0.000 1.127 526 R CA 1.374 57.486 56.100 0.020 0.000 0.968 526 R CB -0.316 30.010 30.300 0.043 0.000 0.861 526 R HN 0.186 nan 8.270 nan 0.000 0.440 527 Q N -0.347 119.466 119.800 0.023 0.000 2.079 527 Q HA -0.065 4.276 4.340 0.000 0.000 0.200 527 Q C 2.115 178.134 176.000 0.032 0.000 0.974 527 Q CA 1.892 57.712 55.803 0.028 0.000 0.840 527 Q CB -0.102 28.642 28.738 0.010 0.000 0.898 527 Q HN 0.385 nan 8.270 nan 0.000 0.430 528 I N 0.238 120.813 120.570 0.009 0.000 2.286 528 I HA -0.253 3.917 4.170 0.000 0.000 0.248 528 I C 2.166 178.324 176.117 0.068 0.000 1.115 528 I CA 0.518 61.825 61.300 0.012 0.000 1.392 528 I CB -0.193 37.793 38.000 -0.022 0.000 1.065 528 I HN 0.225 nan 8.210 nan 0.000 0.418 529 L N 0.761 121.996 121.223 0.020 0.000 2.046 529 L HA -0.223 4.117 4.340 0.000 0.000 0.208 529 L C 1.906 178.637 176.870 -0.233 0.000 1.077 529 L CA 1.988 56.771 54.840 -0.096 0.000 0.747 529 L CB -0.810 41.175 42.059 -0.124 0.000 0.896 529 L HN 0.168 nan 8.230 nan 0.000 0.432 530 D N -1.483 118.908 120.400 -0.015 0.000 2.218 530 D HA -0.243 4.398 4.640 0.000 0.000 0.204 530 D C 1.764 178.054 176.300 -0.015 0.000 0.976 530 D CA 1.079 55.132 54.000 0.089 0.000 0.853 530 D CB -0.253 40.621 40.800 0.123 0.000 0.939 530 D HN 0.600 nan 8.370 nan 0.000 0.481 531 W N 1.191 122.370 121.300 -0.200 0.000 2.381 531 W HA -0.167 4.493 4.660 0.000 0.000 0.301 531 W C 2.375 178.663 176.519 -0.385 0.000 1.205 531 W CA 1.342 58.536 57.345 -0.251 0.000 1.285 531 W CB -0.235 29.061 29.460 -0.275 0.000 1.133 531 W HN 0.079 nan 8.180 nan 0.000 0.521 532 H N -0.938 118.015 119.070 -0.195 0.000 2.387 532 H HA -0.149 4.408 4.556 0.000 0.000 0.299 532 H C 2.047 176.913 175.328 -0.770 0.000 1.090 532 H CA 1.961 57.585 56.048 -0.706 0.000 1.332 532 H CB -0.900 28.119 29.762 -1.237 0.000 1.386 532 H HN 0.162 nan 8.280 nan 0.000 0.516 533 F N 0.928 120.696 119.950 -0.302 0.000 2.146 533 F HA -0.065 4.462 4.527 0.000 0.000 0.298 533 F C 2.804 178.403 175.800 -0.335 0.000 1.096 533 F CA 0.719 58.611 58.000 -0.180 0.000 1.275 533 F CB -0.992 37.966 39.000 -0.069 0.000 1.008 533 F HN 0.107 nan 8.300 nan 0.000 0.480 534 A N -0.097 122.519 122.820 -0.340 0.000 1.940 534 A HA -0.262 4.059 4.320 0.000 0.000 0.219 534 A C 2.224 179.257 177.584 -0.919 0.000 1.176 534 A CA 1.948 53.558 52.037 -0.712 0.000 0.631 534 A CB -1.192 17.197 19.000 -1.017 0.000 0.814 534 A HN 0.504 nan 8.150 nan 0.000 0.446 535 N N -0.699 117.477 118.700 -0.873 0.000 2.166 535 N HA -0.160 4.581 4.740 0.000 0.000 0.186 535 N C 1.724 177.207 175.510 -0.045 0.000 1.019 535 N CA 1.441 54.249 53.050 -0.403 0.000 0.856 535 N CB -0.126 38.057 38.487 -0.508 0.000 0.993 535 N HN 0.360 nan 8.380 nan 0.000 0.426 536 L N 1.817 123.003 121.223 -0.061 0.000 2.109 536 L HA -0.030 4.310 4.340 0.000 0.000 0.207 536 L C 1.860 178.714 176.870 -0.026 0.000 1.086 536 L CA 1.567 56.447 54.840 0.067 0.000 0.760 536 L CB -0.418 41.765 42.059 0.207 0.000 0.910 536 L HN 0.124 nan 8.230 nan 0.000 0.437 537 E N -1.334 118.804 120.200 -0.103 0.000 2.150 537 E HA -0.242 4.108 4.350 0.000 0.000 0.193 537 E C 1.960 178.518 176.600 -0.070 0.000 0.985 537 E CA 1.348 57.666 56.400 -0.136 0.000 0.814 537 E CB -0.268 29.318 29.700 -0.190 0.000 0.752 537 E HN 0.574 nan 8.360 nan 0.000 0.466 538 F N 1.466 121.323 119.950 -0.155 0.000 2.128 538 F HA -0.020 4.508 4.527 0.000 0.000 0.295 538 F C 2.150 178.020 175.800 0.117 0.000 1.100 538 F CA 1.294 59.296 58.000 0.003 0.000 1.260 538 F CB -0.681 38.416 39.000 0.162 0.000 1.009 538 F HN -0.080 nan 8.300 nan 0.000 0.476 539 A N 0.886 123.357 122.820 -0.582 0.000 1.917 539 A HA -0.238 4.083 4.320 0.000 0.000 0.219 539 A C 1.892 179.434 177.584 -0.071 0.000 1.182 539 A CA 2.011 53.752 52.037 -0.493 0.000 0.633 539 A CB -1.019 17.868 19.000 -0.189 0.000 0.819 539 A HN 0.628 nan 8.150 nan 0.000 0.448 540 N N -0.679 118.022 118.700 0.001 0.000 2.322 540 N HA 0.250 4.990 4.740 0.000 0.000 0.194 540 N C 0.689 176.178 175.510 -0.037 0.000 1.126 540 N CA 0.794 53.904 53.050 0.100 0.000 0.845 540 N CB 0.188 38.729 38.487 0.090 0.000 0.976 540 N HN 0.588 nan 8.380 nan 0.000 0.475 541 A N 0.589 123.315 122.820 -0.156 0.000 2.748 541 A HA -0.186 4.134 4.320 0.000 0.000 0.297 541 A C 0.387 177.774 177.584 -0.330 0.000 1.508 541 A CA 1.572 53.395 52.037 -0.357 0.000 0.799 541 A CB -1.967 16.427 19.000 -1.010 0.000 1.011 541 A HN 0.316 nan 8.150 nan 0.000 0.500 542 T N -1.780 112.586 114.554 -0.314 0.000 2.977 542 T HA 0.547 4.897 4.350 0.000 0.000 0.345 542 T C -3.290 171.207 174.700 -0.338 0.000 1.562 542 T CA -0.736 61.106 62.100 -0.430 0.000 1.090 542 T CB 1.456 69.726 68.868 -0.997 0.000 1.383 542 T HN 0.005 nan 8.240 nan 0.000 0.484 543 P HA 0.231 nan 4.420 nan 0.000 0.268 543 P C 1.123 178.271 177.300 -0.253 0.000 1.205 543 P CA -0.147 62.820 63.100 -0.221 0.000 0.771 543 P CB 0.387 31.989 31.700 -0.163 0.000 0.858 544 L N 1.689 122.767 121.223 -0.242 0.000 2.261 544 L HA -0.196 4.144 4.340 0.000 0.000 0.216 544 L C 1.981 178.714 176.870 -0.229 0.000 1.114 544 L CA 1.897 56.573 54.840 -0.273 0.000 0.777 544 L CB -0.911 40.951 42.059 -0.328 0.000 0.910 544 L HN 0.463 nan 8.230 nan 0.000 0.440 545 S N -1.899 113.691 115.700 -0.182 0.000 2.555 545 S HA -0.086 4.385 4.470 0.000 0.000 0.230 545 S C 1.688 176.237 174.600 -0.086 0.000 0.978 545 S CA 0.899 59.023 58.200 -0.125 0.000 0.934 545 S CB -0.479 62.662 63.200 -0.099 0.000 0.766 545 S HN 0.582 nan 8.310 nan 0.000 0.533 546 T N -1.059 113.430 114.554 -0.109 0.000 3.001 546 T HA 0.408 4.758 4.350 0.000 0.000 0.251 546 T C 0.427 175.168 174.700 0.068 0.000 1.040 546 T CA -0.474 61.614 62.100 -0.019 0.000 0.985 546 T CB -0.393 68.450 68.868 -0.041 0.000 1.011 546 T HN 0.294 nan 8.240 nan 0.000 0.509 547 L N 2.835 124.039 121.223 -0.033 0.000 2.397 547 L HA 0.386 4.726 4.340 0.000 0.000 0.271 547 L C 0.796 177.742 176.870 0.126 0.000 1.148 547 L CA -0.694 54.200 54.840 0.089 0.000 0.825 547 L CB 1.058 43.102 42.059 -0.025 0.000 1.117 547 L HN 0.206 nan 8.230 nan 0.000 0.456 548 S N 2.431 118.278 115.700 0.244 0.000 2.516 548 S HA 0.020 4.490 4.470 0.000 0.000 0.282 548 S C 0.859 175.591 174.600 0.221 0.000 1.286 548 S CA -0.681 57.640 58.200 0.201 0.000 1.066 548 S CB 0.565 63.920 63.200 0.259 0.000 0.884 548 S HN 0.534 nan 8.310 nan 0.000 0.491 549 L N 5.820 127.104 121.223 0.101 0.000 2.093 549 L HA 0.090 4.430 4.340 0.000 0.000 0.208 549 L C 2.286 179.244 176.870 0.147 0.000 1.085 549 L CA 1.878 56.801 54.840 0.139 0.000 0.755 549 L CB -0.661 41.425 42.059 0.046 0.000 0.904 549 L HN 0.828 nan 8.230 nan 0.000 0.435 550 K N -1.787 118.559 120.400 -0.090 0.000 2.103 550 K HA -0.113 4.207 4.320 0.000 0.000 0.204 550 K C 0.988 177.329 176.600 -0.431 0.000 1.052 550 K CA 1.341 57.400 56.287 -0.380 0.000 0.945 550 K CB 0.011 32.104 32.500 -0.678 0.000 0.722 550 K HN 0.551 nan 8.250 nan 0.000 0.443 551 H N -1.530 117.616 119.070 0.127 0.000 2.923 551 H HA -0.004 4.553 4.556 0.000 0.000 0.268 551 H C 1.270 176.649 175.328 0.086 0.000 1.148 551 H CA -0.077 56.018 56.048 0.079 0.000 1.146 551 H CB -0.100 29.719 29.762 0.095 0.000 1.607 551 H HN 0.408 nan 8.280 nan 0.000 0.566 552 W N 2.875 124.271 121.300 0.160 0.000 2.331 552 W HA -0.145 4.515 4.660 0.000 0.000 0.291 552 W C -0.161 176.439 176.519 0.134 0.000 1.214 552 W CA 1.316 58.752 57.345 0.152 0.000 1.228 552 W CB -0.556 28.967 29.460 0.106 0.000 1.135 552 W HN 0.128 nan 8.180 nan 0.000 0.537 553 D N 1.250 121.100 120.400 -0.917 0.000 2.615 553 D HA -0.024 4.616 4.640 0.000 0.000 0.236 553 D C 1.650 177.735 176.300 -0.358 0.000 1.233 553 D CA 0.208 53.693 54.000 -0.858 0.000 0.829 553 D CB -0.510 39.426 40.800 -1.440 0.000 1.024 553 D HN 0.342 nan 8.370 nan 0.000 0.490 554 Q N 0.996 120.709 119.800 -0.145 0.000 2.297 554 Q HA -0.202 4.138 4.340 0.000 0.000 0.208 554 Q C 0.784 176.774 176.000 -0.017 0.000 0.981 554 Q CA 1.921 57.705 55.803 -0.031 0.000 0.876 554 Q CB -0.451 28.315 28.738 0.046 0.000 0.921 554 Q HN 0.300 nan 8.270 nan 0.000 0.446 555 D N -0.821 119.549 120.400 -0.050 0.000 2.340 555 D HA -0.016 4.625 4.640 0.000 0.000 0.217 555 D C 0.202 176.498 176.300 -0.007 0.000 1.081 555 D CA 0.007 54.022 54.000 0.026 0.000 0.842 555 D CB -0.028 40.707 40.800 -0.109 0.000 0.934 555 D HN 0.104 nan 8.370 nan 0.000 0.511 556 D N 1.406 121.739 120.400 -0.112 0.000 2.149 556 D HA -0.145 4.496 4.640 0.000 0.000 0.198 556 D C 1.181 177.379 176.300 -0.170 0.000 0.990 556 D CA 0.956 54.874 54.000 -0.136 0.000 0.839 556 D CB -0.084 40.610 40.800 -0.176 0.000 0.948 556 D HN 0.202 nan 8.370 nan 0.000 0.460 557 D N -0.720 119.502 120.400 -0.296 0.000 2.350 557 D HA -0.097 4.543 4.640 0.000 0.000 0.216 557 D C 0.911 176.834 176.300 -0.629 0.000 0.968 557 D CA 0.403 54.111 54.000 -0.485 0.000 0.894 557 D CB -0.133 40.268 40.800 -0.665 0.000 0.909 557 D HN 0.313 nan 8.370 nan 0.000 0.520 558 F N 0.887 120.732 119.950 -0.174 0.000 2.660 558 F HA 0.201 4.728 4.527 0.000 0.000 0.302 558 F C 0.970 176.643 175.800 -0.210 0.000 1.103 558 F CA -0.420 57.456 58.000 -0.206 0.000 1.340 558 F CB -0.129 38.590 39.000 -0.468 0.000 1.048 558 F HN -0.313 nan 8.300 nan 0.000 0.551 559 E N 0.708 120.861 120.200 -0.078 0.000 2.413 559 E HA 0.050 4.400 4.350 0.000 0.000 0.263 559 E C -0.350 176.235 176.600 -0.025 0.000 1.015 559 E CA -0.119 56.209 56.400 -0.120 0.000 0.916 559 E CB 0.570 30.259 29.700 -0.017 0.000 0.947 559 E HN -0.032 nan 8.360 nan 0.000 0.440 560 F N 0.707 120.692 119.950 0.059 0.000 2.378 560 F HA 0.152 4.680 4.527 0.000 0.000 0.319 560 F C 1.293 177.112 175.800 0.032 0.000 1.155 560 F CA -0.791 57.211 58.000 0.004 0.000 1.157 560 F CB 0.459 39.409 39.000 -0.082 0.000 1.252 560 F HN 0.303 nan 8.300 nan 0.000 0.550 561 T N -1.431 113.302 114.554 0.299 0.000 2.936 561 T HA 0.796 5.146 4.350 0.000 0.000 0.282 561 T C 0.042 174.806 174.700 0.106 0.000 1.003 561 T CA -0.174 62.046 62.100 0.199 0.000 1.005 561 T CB 1.392 70.413 68.868 0.254 0.000 1.097 561 T HN 1.414 nan 8.240 nan 0.000 0.532 562 G N 0.921 109.758 108.800 0.061 0.000 2.661 562 G HA2 0.168 4.128 3.960 0.000 0.000 0.685 562 G HA3 0.168 4.128 3.960 0.000 0.000 0.685 562 G C -0.289 174.598 174.900 -0.021 0.000 1.298 562 G CA -0.512 44.602 45.100 0.024 0.000 0.855 562 G HN 1.651 nan 8.290 nan 0.000 0.560 563 S N 0.346 116.049 115.700 0.005 0.000 2.592 563 S HA 0.547 5.017 4.470 0.000 0.000 0.271 563 S C 0.371 174.966 174.600 -0.008 0.000 1.326 563 S CA -0.653 57.569 58.200 0.037 0.000 1.024 563 S CB 0.851 64.104 63.200 0.088 0.000 0.921 563 S HN 0.713 nan 8.310 nan 0.000 0.527 564 H N 0.978 120.128 119.070 0.134 0.000 2.707 564 H HA 0.445 5.001 4.556 0.000 0.000 0.359 564 H C -0.246 175.155 175.328 0.121 0.000 1.113 564 H CA 0.108 56.244 56.048 0.147 0.000 1.422 564 H CB 0.438 30.314 29.762 0.191 0.000 1.443 564 H HN 0.444 nan 8.280 nan 0.000 0.591 565 L N 0.927 122.267 121.223 0.195 0.000 2.341 565 L HA 0.430 4.770 4.340 0.000 0.000 0.254 565 L C 0.225 177.133 176.870 0.063 0.000 1.040 565 L CA -0.916 53.986 54.840 0.105 0.000 0.837 565 L CB 2.328 44.411 42.059 0.041 0.000 1.425 565 L HN 0.629 nan 8.230 nan 0.000 0.414 566 T N -2.290 112.262 114.554 -0.004 0.000 2.907 566 T HA 0.657 5.007 4.350 0.000 0.000 0.292 566 T C -0.585 174.056 174.700 -0.098 0.000 1.043 566 T CA -0.800 61.256 62.100 -0.074 0.000 1.003 566 T CB 1.811 70.584 68.868 -0.158 0.000 1.084 566 T HN 0.215 nan 8.240 nan 0.000 0.483 567 V N 3.179 123.026 119.914 -0.112 0.000 2.338 567 V HA 0.311 4.431 4.120 0.000 0.000 0.255 567 V C 1.841 177.970 176.094 0.059 0.000 1.082 567 V CA -0.541 61.702 62.300 -0.095 0.000 0.951 567 V CB -0.008 31.678 31.823 -0.228 0.000 1.102 567 V HN 0.944 nan 8.190 nan 0.000 0.489 568 R N 3.950 124.472 120.500 0.036 0.000 2.127 568 R HA -0.138 4.202 4.340 0.000 0.000 0.238 568 R C 1.769 178.221 176.300 0.254 0.000 1.134 568 R CA 1.844 58.016 56.100 0.119 0.000 0.975 568 R CB 0.110 30.445 30.300 0.059 0.000 0.865 568 R HN 0.910 nan 8.270 nan 0.000 0.447 569 N N -0.558 118.232 118.700 0.151 0.000 2.268 569 N HA 0.086 4.827 4.740 0.000 0.000 0.204 569 N C -0.306 175.274 175.510 0.116 0.000 1.124 569 N CA 0.763 53.885 53.050 0.121 0.000 0.838 569 N CB 0.771 39.297 38.487 0.064 0.000 0.994 569 N HN 0.212 nan 8.380 nan 0.000 0.489 570 G N 0.484 109.391 108.800 0.179 0.000 3.172 570 G HA2 -0.276 3.684 3.960 0.000 0.000 0.686 570 G HA3 -0.276 3.684 3.960 0.000 0.000 0.686 570 G C -0.262 174.752 174.900 0.190 0.000 1.009 570 G CA -0.391 44.811 45.100 0.170 0.000 0.787 570 G HN 0.108 nan 8.290 nan 0.000 0.559 571 Y N 2.253 122.623 120.300 0.116 0.000 2.315 571 Y HA -0.158 4.392 4.550 0.000 0.000 0.288 571 Y C 3.065 179.011 175.900 0.077 0.000 1.154 571 Y CA 2.401 60.558 58.100 0.094 0.000 1.229 571 Y CB -0.216 38.302 38.460 0.096 0.000 0.980 571 Y HN 1.072 nan 8.280 nan 0.000 0.540 572 S N -1.129 114.728 115.700 0.262 0.000 2.465 572 S HA -0.241 4.229 4.470 0.000 0.000 0.241 572 S C 2.207 176.890 174.600 0.139 0.000 1.000 572 S CA 1.054 59.353 58.200 0.165 0.000 0.964 572 S CB -1.817 61.453 63.200 0.117 0.000 0.763 572 S HN 0.626 nan 8.310 nan 0.000 0.512 573 C N 0.116 119.500 119.300 0.141 0.000 2.410 573 C HA 0.073 4.533 4.460 0.000 0.000 0.281 573 C C 2.273 177.326 174.990 0.105 0.000 1.318 573 C CA 0.180 59.256 59.018 0.096 0.000 1.776 573 C CB -1.826 25.956 27.740 0.071 0.000 1.942 573 C HN 0.424 nan 8.230 nan 0.000 0.508 574 V N 3.020 123.035 119.914 0.169 0.000 2.229 574 V HA -0.074 4.046 4.120 0.000 0.000 0.243 574 V C 0.579 176.738 176.094 0.108 0.000 1.042 574 V CA 2.635 65.035 62.300 0.166 0.000 1.000 574 V CB -1.742 30.255 31.823 0.288 0.000 0.637 574 V HN 0.314 nan 8.190 nan 0.000 0.446 575 P HA -0.116 nan 4.420 nan 0.000 0.215 575 P C 1.934 179.257 177.300 0.038 0.000 1.153 575 P CA 1.489 64.621 63.100 0.053 0.000 0.853 575 P CB -0.167 31.558 31.700 0.042 0.000 0.788 576 V N 0.838 120.778 119.914 0.045 0.000 2.324 576 V HA -0.273 3.847 4.120 0.000 0.000 0.250 576 V C 2.813 178.917 176.094 0.017 0.000 1.060 576 V CA 2.427 64.743 62.300 0.026 0.000 1.042 576 V CB -1.722 30.119 31.823 0.029 0.000 0.650 576 V HN 0.130 nan 8.190 nan 0.000 0.450 577 A N -0.521 122.315 122.820 0.027 0.000 1.898 577 A HA -0.098 4.222 4.320 0.000 0.000 0.216 577 A C 2.167 179.754 177.584 0.004 0.000 1.181 577 A CA 1.514 53.560 52.037 0.015 0.000 0.620 577 A CB -0.493 18.522 19.000 0.024 0.000 0.819 577 A HN 0.508 nan 8.150 nan 0.000 0.442 578 L N -0.737 120.497 121.223 0.017 0.000 2.191 578 L HA -0.163 4.178 4.340 0.000 0.000 0.212 578 L C 2.863 179.723 176.870 -0.017 0.000 1.103 578 L CA 0.798 55.642 54.840 0.007 0.000 0.769 578 L CB -0.416 41.659 42.059 0.027 0.000 0.908 578 L HN 0.447 nan 8.230 nan 0.000 0.438 579 A N -0.328 122.483 122.820 -0.016 0.000 2.119 579 A HA -0.142 4.179 4.320 0.000 0.000 0.217 579 A C 1.174 178.734 177.584 -0.040 0.000 1.153 579 A CA 0.045 52.064 52.037 -0.030 0.000 0.692 579 A CB -0.438 18.547 19.000 -0.024 0.000 0.799 579 A HN 0.447 nan 8.150 nan 0.000 0.458 580 E N -0.162 120.016 120.200 -0.038 0.000 2.585 580 E HA 0.241 4.591 4.350 0.000 0.000 0.252 580 E C 1.119 177.685 176.600 -0.058 0.000 0.981 580 E CA 0.650 57.023 56.400 -0.044 0.000 0.943 580 E CB -0.287 29.387 29.700 -0.044 0.000 0.923 580 E HN 0.749 nan 8.360 nan 0.000 0.486 581 G N 3.732 112.499 108.800 -0.054 0.000 2.179 581 G HA2 -0.279 3.682 3.960 0.000 0.000 0.260 581 G HA3 -0.279 3.682 3.960 0.000 0.000 0.260 581 G C 0.121 174.982 174.900 -0.064 0.000 0.977 581 G CA 0.347 45.411 45.100 -0.059 0.000 0.641 581 G HN 0.470 nan 8.290 nan 0.000 0.533 582 L N 0.210 121.394 121.223 -0.065 0.000 2.375 582 L HA 0.545 4.885 4.340 0.000 0.000 0.268 582 L C 0.072 176.900 176.870 -0.070 0.000 1.058 582 L CA -0.888 53.909 54.840 -0.071 0.000 0.803 582 L CB 1.158 43.173 42.059 -0.074 0.000 1.212 582 L HN 0.075 nan 8.230 nan 0.000 0.451 583 D N 2.365 122.718 120.400 -0.077 0.000 2.441 583 D HA 0.377 5.017 4.640 0.000 0.000 0.221 583 D C -0.696 175.543 176.300 -0.101 0.000 1.156 583 D CA -0.038 53.914 54.000 -0.081 0.000 0.896 583 D CB 0.158 40.911 40.800 -0.077 0.000 1.028 583 D HN 0.195 nan 8.370 nan 0.000 0.509 584 I N 3.664 124.175 120.570 -0.097 0.000 2.378 584 I HA 0.260 4.430 4.170 0.000 0.000 0.291 584 I C 0.143 176.183 176.117 -0.128 0.000 0.992 584 I CA -0.972 60.259 61.300 -0.115 0.000 1.154 584 I CB 1.521 39.465 38.000 -0.093 0.000 1.315 584 I HN -0.088 nan 8.210 nan 0.000 0.448 585 K N 7.834 128.132 120.400 -0.169 0.000 2.299 585 K HA 0.503 4.824 4.320 0.000 0.000 0.268 585 K C -0.499 175.998 176.600 -0.172 0.000 1.075 585 K CA -0.403 55.773 56.287 -0.184 0.000 0.936 585 K CB 1.059 33.408 32.500 -0.251 0.000 1.228 585 K HN 0.536 nan 8.250 nan 0.000 0.454 586 L N 1.743 122.885 121.223 -0.135 0.000 2.475 586 L HA 0.150 4.491 4.340 0.000 0.000 0.253 586 L C 0.817 177.612 176.870 -0.124 0.000 1.198 586 L CA -0.441 54.324 54.840 -0.126 0.000 0.814 586 L CB 0.174 42.179 42.059 -0.090 0.000 1.134 586 L HN 0.675 nan 8.230 nan 0.000 0.478 587 N N -0.064 118.555 118.700 -0.135 0.000 2.721 587 N HA -0.154 4.586 4.740 0.000 0.000 0.249 587 N C -0.627 174.837 175.510 -0.077 0.000 1.072 587 N CA 0.997 53.984 53.050 -0.105 0.000 0.710 587 N CB -1.361 37.105 38.487 -0.035 0.000 0.993 587 N HN 0.655 nan 8.380 nan 0.000 0.547 588 T N -0.049 114.423 114.554 -0.135 0.000 2.934 588 T HA 0.571 4.921 4.350 0.000 0.000 0.328 588 T C 0.164 174.790 174.700 -0.123 0.000 1.068 588 T CA -0.451 61.608 62.100 -0.070 0.000 1.018 588 T CB 1.557 70.351 68.868 -0.124 0.000 1.009 588 T HN 0.336 nan 8.240 nan 0.000 0.471 589 A N 3.523 126.303 122.820 -0.067 0.000 2.252 589 A HA 0.651 4.971 4.320 0.000 0.000 0.309 589 A C 0.379 177.982 177.584 0.033 0.000 1.285 589 A CA -0.540 51.443 52.037 -0.090 0.000 0.900 589 A CB 0.265 19.270 19.000 0.008 0.000 1.157 589 A HN 0.680 nan 8.150 nan 0.000 0.536 590 V N 4.525 124.443 119.914 0.007 0.000 2.585 590 V HA 0.094 4.215 4.120 0.000 0.000 0.296 590 V C 1.200 177.316 176.094 0.036 0.000 1.035 590 V CA 0.225 62.539 62.300 0.024 0.000 1.084 590 V CB 0.670 32.480 31.823 -0.021 0.000 0.953 590 V HN 1.015 nan 8.190 nan 0.000 0.483 591 R N 2.476 122.992 120.500 0.027 0.000 2.257 591 R HA 0.248 4.588 4.340 0.000 0.000 0.195 591 R C 0.471 176.740 176.300 -0.052 0.000 0.921 591 R CA 0.190 56.296 56.100 0.011 0.000 1.069 591 R CB 0.666 30.985 30.300 0.031 0.000 1.115 591 R HN 0.774 nan 8.270 nan 0.000 0.571 592 Q N 0.431 120.193 119.800 -0.062 0.000 2.345 592 Q HA 0.386 4.727 4.340 0.000 0.000 0.275 592 Q C -1.847 174.089 176.000 -0.107 0.000 1.063 592 Q CA -0.442 55.298 55.803 -0.104 0.000 0.819 592 Q CB 2.905 31.619 28.738 -0.041 0.000 1.356 592 Q HN -0.146 nan 8.270 nan 0.000 0.418 593 V N 4.184 123.992 119.914 -0.176 0.000 2.376 593 V HA 0.528 4.648 4.120 0.000 0.000 0.287 593 V C -0.683 175.503 176.094 0.152 0.000 1.015 593 V CA -0.578 61.695 62.300 -0.044 0.000 0.834 593 V CB 1.552 33.279 31.823 -0.160 0.000 1.001 593 V HN 0.700 nan 8.190 nan 0.000 0.428 594 R N 4.697 125.290 120.500 0.154 0.000 2.338 594 R HA 0.609 4.949 4.340 0.000 0.000 0.317 594 R C -1.476 174.951 176.300 0.212 0.000 0.968 594 R CA -0.609 55.563 56.100 0.121 0.000 0.849 594 R CB 1.824 32.151 30.300 0.044 0.000 1.128 594 R HN 0.781 nan 8.270 nan 0.000 0.448 595 Y N -0.834 119.517 120.300 0.085 0.000 2.373 595 Y HA 0.594 5.144 4.550 0.000 0.000 0.336 595 Y C -0.422 175.521 175.900 0.072 0.000 0.979 595 Y CA -1.093 57.057 58.100 0.084 0.000 1.080 595 Y CB 1.528 40.047 38.460 0.099 0.000 1.190 595 Y HN 0.585 nan 8.280 nan 0.000 0.446 596 T N -1.086 113.533 114.554 0.109 0.000 2.831 596 T HA 0.692 5.042 4.350 0.000 0.000 0.287 596 T C 0.964 175.727 174.700 0.104 0.000 1.070 596 T CA -0.546 61.582 62.100 0.047 0.000 1.010 596 T CB 1.401 70.279 68.868 0.016 0.000 1.264 596 T HN 0.979 nan 8.240 nan 0.000 0.532 597 A N 0.666 123.530 122.820 0.074 0.000 2.076 597 A HA 0.041 4.362 4.320 0.000 0.000 0.220 597 A C 2.070 179.710 177.584 0.093 0.000 1.160 597 A CA 1.924 54.011 52.037 0.083 0.000 0.653 597 A CB -1.154 17.880 19.000 0.055 0.000 0.801 597 A HN 1.298 nan 8.150 nan 0.000 0.455 598 S N -2.883 112.869 115.700 0.087 0.000 2.629 598 S HA 0.537 5.007 4.470 0.000 0.000 0.236 598 S C 0.600 175.262 174.600 0.103 0.000 1.010 598 S CA 0.458 58.712 58.200 0.089 0.000 0.981 598 S CB 0.107 63.344 63.200 0.062 0.000 0.919 598 S HN 1.749 nan 8.310 nan 0.000 0.514 599 G N -0.219 108.654 108.800 0.120 0.000 2.368 599 G HA2 0.329 4.289 3.960 0.000 0.000 0.302 599 G HA3 0.329 4.289 3.960 0.000 0.000 0.302 599 G C -1.163 173.811 174.900 0.124 0.000 1.329 599 G CA -0.403 44.767 45.100 0.117 0.000 0.935 599 G HN 0.460 nan 8.290 nan 0.000 0.590 600 C N -0.390 118.980 119.300 0.116 0.000 2.719 600 C HA 0.955 5.416 4.460 0.000 0.000 0.327 600 C C -0.138 174.913 174.990 0.100 0.000 1.238 600 C CA -0.528 58.570 59.018 0.134 0.000 1.727 600 C CB 1.520 29.353 27.740 0.154 0.000 2.256 600 C HN 1.057 nan 8.230 nan 0.000 0.489 601 E N 0.150 120.413 120.200 0.105 0.000 2.290 601 E HA 0.656 5.007 4.350 0.000 0.000 0.274 601 E C -2.094 174.566 176.600 0.100 0.000 0.889 601 E CA -0.438 56.017 56.400 0.091 0.000 0.760 601 E CB 1.588 31.325 29.700 0.061 0.000 1.206 601 E HN 0.394 nan 8.360 nan 0.000 0.419 602 V N 4.972 124.964 119.914 0.129 0.000 2.417 602 V HA 0.423 4.544 4.120 0.000 0.000 0.291 602 V C -0.178 176.016 176.094 0.166 0.000 1.024 602 V CA -0.659 61.718 62.300 0.128 0.000 0.861 602 V CB 1.294 33.192 31.823 0.125 0.000 0.985 602 V HN 0.679 nan 8.190 nan 0.000 0.436 603 I N 4.294 124.926 120.570 0.103 0.000 2.336 603 I HA 0.761 4.931 4.170 0.000 0.000 0.292 603 I C 0.335 176.527 176.117 0.125 0.000 0.991 603 I CA 0.066 61.425 61.300 0.100 0.000 1.227 603 I CB 1.581 39.605 38.000 0.040 0.000 1.366 603 I HN 0.738 nan 8.210 nan 0.000 0.466 604 A N 5.821 128.764 122.820 0.205 0.000 2.515 604 A HA 0.912 5.232 4.320 0.000 0.000 0.296 604 A C -0.770 176.967 177.584 0.256 0.000 1.094 604 A CA -0.626 51.548 52.037 0.229 0.000 0.718 604 A CB 1.850 21.026 19.000 0.293 0.000 1.307 604 A HN 0.576 nan 8.150 nan 0.000 0.408 605 V N -0.610 119.429 119.914 0.209 0.000 3.019 605 V HA 0.727 4.847 4.120 0.000 0.000 0.317 605 V C -0.256 175.991 176.094 0.255 0.000 1.094 605 V CA -1.079 61.324 62.300 0.172 0.000 1.000 605 V CB 1.864 33.739 31.823 0.086 0.000 1.060 605 V HN 0.899 nan 8.190 nan 0.000 0.443 606 N N 1.682 120.528 118.700 0.243 0.000 2.408 606 N HA 0.197 4.938 4.740 0.000 0.000 0.257 606 N C 1.224 176.818 175.510 0.140 0.000 1.064 606 N CA 0.507 53.711 53.050 0.257 0.000 0.952 606 N CB 1.433 40.092 38.487 0.286 0.000 1.093 606 N HN 1.029 nan 8.380 nan 0.000 0.490 607 T N 1.641 116.261 114.554 0.111 0.000 2.929 607 T HA -0.113 4.237 4.350 0.000 0.000 0.271 607 T C 1.355 176.122 174.700 0.112 0.000 1.085 607 T CA 1.094 63.269 62.100 0.124 0.000 1.125 607 T CB -0.082 68.856 68.868 0.116 0.000 0.874 607 T HN 0.540 nan 8.240 nan 0.000 0.494 608 R N 1.465 122.018 120.500 0.089 0.000 2.240 608 R HA 0.187 4.527 4.340 0.000 0.000 0.203 608 R C 0.611 176.947 176.300 0.060 0.000 1.011 608 R CA 0.802 56.945 56.100 0.072 0.000 1.007 608 R CB 0.313 30.650 30.300 0.061 0.000 0.911 608 R HN 0.558 nan 8.270 nan 0.000 0.468 609 S N -0.980 114.757 115.700 0.061 0.000 2.357 609 S HA 0.023 4.494 4.470 0.000 0.000 0.209 609 S C 0.616 175.235 174.600 0.033 0.000 0.981 609 S CA -0.534 57.689 58.200 0.039 0.000 1.106 609 S CB 0.915 64.131 63.200 0.026 0.000 1.266 609 S HN 0.190 nan 8.310 nan 0.000 0.410 610 T N 0.852 115.429 114.554 0.038 0.000 2.802 610 T HA -0.220 4.130 4.350 0.000 0.000 0.269 610 T C 2.026 176.723 174.700 -0.004 0.000 1.062 610 T CA 2.052 64.173 62.100 0.034 0.000 1.133 610 T CB -1.089 67.806 68.868 0.045 0.000 0.852 610 T HN 1.051 nan 8.240 nan 0.000 0.485 611 S N 1.088 116.776 115.700 -0.020 0.000 2.399 611 S HA -0.126 4.344 4.470 0.000 0.000 0.231 611 S C 1.219 175.759 174.600 -0.100 0.000 1.022 611 S CA 0.427 58.599 58.200 -0.047 0.000 0.983 611 S CB -0.779 62.397 63.200 -0.040 0.000 0.803 611 S HN 0.786 nan 8.310 nan 0.000 0.480 612 Q N 2.325 122.052 119.800 -0.122 0.000 2.244 612 Q HA 0.165 4.505 4.340 0.000 0.000 0.276 612 Q C -1.086 174.654 176.000 -0.432 0.000 1.122 612 Q CA 0.280 55.926 55.803 -0.261 0.000 0.920 612 Q CB 0.052 28.669 28.738 -0.203 0.000 1.186 612 Q HN 0.308 nan 8.270 nan 0.000 0.393 613 T N 4.738 118.984 114.554 -0.514 0.000 2.859 613 T HA 0.569 4.919 4.350 0.000 0.000 0.281 613 T C -0.955 173.310 174.700 -0.724 0.000 1.005 613 T CA -0.355 61.462 62.100 -0.473 0.000 1.025 613 T CB 0.496 69.234 68.868 -0.217 0.000 0.977 613 T HN 0.373 nan 8.240 nan 0.000 0.458 614 F N 1.905 121.816 119.950 -0.065 0.000 2.532 614 F HA 0.624 5.151 4.527 0.000 0.000 0.321 614 F C -0.266 175.380 175.800 -0.255 0.000 1.089 614 F CA -1.384 56.498 58.000 -0.198 0.000 0.926 614 F CB 1.327 40.222 39.000 -0.176 0.000 1.168 614 F HN 0.199 nan 8.300 nan 0.000 0.459 615 I N 3.014 123.441 120.570 -0.237 0.000 2.465 615 I HA 0.320 4.490 4.170 0.000 0.000 0.291 615 I C -1.233 174.640 176.117 -0.407 0.000 1.014 615 I CA -1.279 59.905 61.300 -0.193 0.000 1.093 615 I CB 1.437 39.373 38.000 -0.106 0.000 1.267 615 I HN 0.536 nan 8.210 nan 0.000 0.431 616 Y N 5.007 125.334 120.300 0.045 0.000 2.326 616 Y HA 0.387 4.937 4.550 0.000 0.000 0.329 616 Y C 0.226 176.134 175.900 0.013 0.000 0.973 616 Y CA -0.883 57.229 58.100 0.020 0.000 1.162 616 Y CB 1.708 40.169 38.460 0.001 0.000 1.147 616 Y HN 0.294 nan 8.280 nan 0.000 0.456 617 K N 3.565 124.038 120.400 0.122 0.000 2.130 617 K HA 0.766 5.087 4.320 0.000 0.000 0.268 617 K C -0.472 176.168 176.600 0.067 0.000 0.983 617 K CA -0.394 55.941 56.287 0.079 0.000 0.893 617 K CB 1.640 34.167 32.500 0.045 0.000 1.066 617 K HN 0.841 nan 8.250 nan 0.000 0.450 618 C N -1.541 117.786 119.300 0.046 0.000 3.320 618 C HA 0.388 4.848 4.460 0.000 0.000 0.335 618 C C 0.777 175.758 174.990 -0.015 0.000 1.430 618 C CA -0.851 58.167 59.018 0.000 0.000 1.271 618 C CB 1.034 28.763 27.740 -0.019 0.000 1.609 618 C HN 0.819 nan 8.230 nan 0.000 0.457 619 D N 0.765 121.105 120.400 -0.100 0.000 2.249 619 D HA 0.306 4.947 4.640 0.000 0.000 0.205 619 D C 0.702 176.910 176.300 -0.153 0.000 0.962 619 D CA 1.803 55.718 54.000 -0.142 0.000 0.860 619 D CB 0.566 41.149 40.800 -0.361 0.000 0.955 619 D HN 0.980 nan 8.370 nan 0.000 0.505 620 A N 0.097 122.805 122.820 -0.187 0.000 2.604 620 A HA 0.532 4.852 4.320 0.000 0.000 0.295 620 A C -1.324 176.259 177.584 -0.003 0.000 1.067 620 A CA -0.557 51.466 52.037 -0.024 0.000 0.683 620 A CB 1.838 20.751 19.000 -0.145 0.000 1.281 620 A HN -0.104 nan 8.150 nan 0.000 0.407 621 V N 1.598 121.575 119.914 0.106 0.000 2.540 621 V HA 0.555 4.675 4.120 0.000 0.000 0.302 621 V C -0.959 175.161 176.094 0.044 0.000 1.035 621 V CA -0.488 61.832 62.300 0.034 0.000 0.873 621 V CB 1.466 33.304 31.823 0.026 0.000 0.992 621 V HN 0.850 nan 8.190 nan 0.000 0.428 622 L N 6.041 127.247 121.223 -0.029 0.000 2.276 622 L HA 0.595 4.935 4.340 0.000 0.000 0.286 622 L C -0.291 176.538 176.870 -0.068 0.000 1.024 622 L CA -0.036 54.781 54.840 -0.039 0.000 0.826 622 L CB 0.878 42.902 42.059 -0.058 0.000 1.211 622 L HN 0.849 nan 8.230 nan 0.000 0.422 623 C N 4.321 123.532 119.300 -0.149 0.000 2.265 623 C HA 0.617 5.078 4.460 0.000 0.000 0.332 623 C C 1.380 176.431 174.990 0.102 0.000 1.248 623 C CA 0.261 59.250 59.018 -0.048 0.000 1.727 623 C CB -0.444 27.220 27.740 -0.126 0.000 2.348 623 C HN 0.972 nan 8.230 nan 0.000 0.519 624 T N 4.049 118.678 114.554 0.126 0.000 3.228 624 T HA 0.278 4.628 4.350 0.000 0.000 0.278 624 T C 0.218 175.050 174.700 0.220 0.000 1.014 624 T CA -0.323 61.886 62.100 0.181 0.000 0.904 624 T CB -0.440 68.491 68.868 0.106 0.000 1.110 624 T HN 0.655 nan 8.240 nan 0.000 0.541 625 L N 2.219 123.571 121.223 0.216 0.000 2.514 625 L HA 0.282 4.622 4.340 0.000 0.000 0.280 625 L C -2.069 174.860 176.870 0.098 0.000 1.223 625 L CA -1.791 53.146 54.840 0.162 0.000 0.864 625 L CB 0.067 42.230 42.059 0.174 0.000 1.118 625 L HN 0.093 nan 8.230 nan 0.000 0.494 626 P HA -0.026 nan 4.420 nan 0.000 0.272 626 P C 0.443 177.377 177.300 -0.610 0.000 1.230 626 P CA -0.502 62.474 63.100 -0.207 0.000 0.788 626 P CB 0.626 32.288 31.700 -0.064 0.000 0.949 627 L N 2.896 123.483 121.223 -1.060 0.000 2.081 627 L HA -0.125 4.216 4.340 0.000 0.000 0.212 627 L C 2.191 178.457 176.870 -1.007 0.000 1.080 627 L CA 2.598 56.820 54.840 -1.030 0.000 0.754 627 L CB -1.640 39.937 42.059 -0.804 0.000 0.893 627 L HN 0.538 nan 8.230 nan 0.000 0.433 628 G N -1.266 106.488 108.800 -1.743 0.000 2.440 628 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 628 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 628 G C 1.533 176.222 174.900 -0.351 0.000 1.154 628 G CA 1.141 45.676 45.100 -0.942 0.000 0.767 628 G HN 0.354 nan 8.290 nan 0.000 0.552 629 V N 0.929 120.676 119.914 -0.278 0.000 2.307 629 V HA -0.079 4.041 4.120 0.000 0.000 0.245 629 V C 2.889 178.937 176.094 -0.077 0.000 1.045 629 V CA 1.333 63.579 62.300 -0.090 0.000 1.024 629 V CB -0.429 31.404 31.823 0.016 0.000 0.651 629 V HN 0.348 nan 8.190 nan 0.000 0.449 630 L N -0.412 120.734 121.223 -0.129 0.000 2.187 630 L HA -0.213 4.127 4.340 0.000 0.000 0.213 630 L C 2.439 179.257 176.870 -0.085 0.000 1.100 630 L CA 1.586 56.387 54.840 -0.065 0.000 0.765 630 L CB -0.571 41.415 42.059 -0.121 0.000 0.904 630 L HN 0.334 nan 8.230 nan 0.000 0.437 631 K N -0.556 119.760 120.400 -0.140 0.000 2.305 631 K HA -0.011 4.310 4.320 0.000 0.000 0.199 631 K C 0.626 177.194 176.600 -0.053 0.000 1.047 631 K CA -0.040 56.186 56.287 -0.101 0.000 0.976 631 K CB 0.090 32.523 32.500 -0.113 0.000 0.765 631 K HN 0.319 nan 8.250 nan 0.000 0.474 632 Q N 1.589 121.363 119.800 -0.044 0.000 2.398 632 Q HA -0.125 4.216 4.340 0.000 0.000 0.329 632 Q C -0.612 175.382 176.000 -0.010 0.000 1.079 632 Q CA 0.943 56.733 55.803 -0.022 0.000 1.041 632 Q CB 0.393 29.121 28.738 -0.017 0.000 1.084 632 Q HN 0.003 nan 8.270 nan 0.000 0.386 633 Q N 3.809 123.603 119.800 -0.010 0.000 2.290 633 Q HA 0.373 4.714 4.340 0.000 0.000 0.269 633 Q C -2.285 173.710 176.000 -0.007 0.000 1.016 633 Q CA -1.437 54.362 55.803 -0.006 0.000 0.754 633 Q CB 1.337 30.069 28.738 -0.009 0.000 1.247 633 Q HN 0.421 nan 8.270 nan 0.000 0.451 634 P HA 0.372 nan 4.420 nan 0.000 0.272 634 P C -2.637 174.666 177.300 0.005 0.000 1.240 634 P CA -1.289 61.812 63.100 0.001 0.000 0.791 634 P CB -0.054 31.647 31.700 0.001 0.000 0.978 635 P HA 0.124 nan 4.420 nan 0.000 0.272 635 P C 0.134 177.447 177.300 0.021 0.000 1.223 635 P CA -0.097 63.020 63.100 0.029 0.000 0.784 635 P CB 0.381 32.114 31.700 0.055 0.000 0.923 636 A N 1.652 124.489 122.820 0.028 0.000 2.044 636 A HA 0.195 4.515 4.320 0.000 0.000 0.213 636 A C 0.492 178.096 177.584 0.035 0.000 1.169 636 A CA 0.943 52.999 52.037 0.033 0.000 0.724 636 A CB -0.045 18.981 19.000 0.044 0.000 0.840 636 A HN 0.394 nan 8.150 nan 0.000 0.463 637 V N 0.704 120.626 119.914 0.013 0.000 2.531 637 V HA 0.327 4.447 4.120 0.000 0.000 0.301 637 V C -0.568 175.446 176.094 -0.134 0.000 1.034 637 V CA -0.654 61.595 62.300 -0.085 0.000 0.865 637 V CB 1.624 33.364 31.823 -0.137 0.000 0.995 637 V HN 0.537 nan 8.190 nan 0.000 0.424 638 Q N 3.177 122.877 119.800 -0.167 0.000 2.241 638 Q HA 0.579 4.920 4.340 0.000 0.000 0.254 638 Q C -1.750 174.122 176.000 -0.213 0.000 0.917 638 Q CA -0.494 55.257 55.803 -0.087 0.000 0.919 638 Q CB 1.349 30.073 28.738 -0.024 0.000 1.237 638 Q HN 0.622 nan 8.270 nan 0.000 0.434 639 F N 2.427 122.433 119.950 0.094 0.000 2.420 639 F HA 0.425 4.953 4.527 0.001 0.000 0.342 639 F C -0.340 175.530 175.800 0.116 0.000 1.113 639 F CA -0.668 57.432 58.000 0.166 0.000 1.059 639 F CB 1.708 40.840 39.000 0.220 0.000 1.128 639 F HN 0.196 nan 8.300 nan 0.000 0.475 640 V N 5.467 125.517 119.914 0.227 0.000 2.409 640 V HA 0.361 4.481 4.120 0.000 0.000 0.290 640 V C -2.140 173.776 176.094 -0.296 0.000 1.017 640 V CA -1.918 60.387 62.300 0.008 0.000 0.841 640 V CB 1.586 33.401 31.823 -0.015 0.000 1.003 640 V HN 0.508 nan 8.190 nan 0.000 0.426 641 P HA 0.276 nan 4.420 nan 0.000 0.272 641 P C -2.758 174.577 177.300 0.059 0.000 1.240 641 P CA -1.570 61.446 63.100 -0.140 0.000 0.791 641 P CB -0.068 31.535 31.700 -0.162 0.000 0.978 642 P HA 0.095 nan 4.420 nan 0.000 0.269 642 P C 0.078 177.427 177.300 0.081 0.000 1.217 642 P CA 0.190 63.357 63.100 0.111 0.000 0.783 642 P CB 0.238 31.963 31.700 0.042 0.000 0.898 643 L N 3.097 124.318 121.223 -0.004 0.000 2.467 643 L HA 0.196 4.536 4.340 0.000 0.000 0.270 643 L C -1.541 175.178 176.870 -0.252 0.000 1.205 643 L CA -1.612 53.113 54.840 -0.192 0.000 0.828 643 L CB -0.434 41.384 42.059 -0.401 0.000 1.101 643 L HN 0.311 nan 8.230 nan 0.000 0.479 644 P HA 0.087 nan 4.420 nan 0.000 0.274 644 P C 0.046 177.068 177.300 -0.463 0.000 1.246 644 P CA -0.386 62.469 63.100 -0.409 0.000 0.795 644 P CB 0.674 32.051 31.700 -0.538 0.000 1.006 645 E N 0.293 120.344 120.200 -0.250 0.000 2.118 645 E HA -0.158 4.192 4.350 0.000 0.000 0.195 645 E C 1.837 178.355 176.600 -0.136 0.000 0.992 645 E CA 1.270 57.577 56.400 -0.154 0.000 0.804 645 E CB -0.320 29.355 29.700 -0.043 0.000 0.741 645 E HN 0.658 nan 8.360 nan 0.000 0.458 646 W N 1.815 123.075 121.300 -0.066 0.000 2.342 646 W HA -0.167 4.494 4.660 0.001 0.000 0.297 646 W C 1.828 178.278 176.519 -0.114 0.000 1.213 646 W CA 1.000 58.298 57.345 -0.079 0.000 1.251 646 W CB -0.537 28.882 29.460 -0.069 0.000 1.136 646 W HN -0.072 nan 8.180 nan 0.000 0.526 647 K N 1.920 121.903 120.400 -0.694 0.000 2.021 647 K HA -0.126 4.194 4.320 0.000 0.000 0.205 647 K C 2.473 178.843 176.600 -0.383 0.000 1.047 647 K CA 3.092 58.993 56.287 -0.644 0.000 0.943 647 K CB -0.973 30.861 32.500 -1.110 0.000 0.725 647 K HN 0.116 nan 8.250 nan 0.000 0.439 648 T N -1.740 112.598 114.554 -0.359 0.000 2.759 648 T HA -0.098 4.252 4.350 0.000 0.000 0.269 648 T C 2.057 176.663 174.700 -0.157 0.000 1.042 648 T CA 1.797 63.757 62.100 -0.233 0.000 1.140 648 T CB -0.609 68.150 68.868 -0.182 0.000 0.864 648 T HN 0.108 nan 8.240 nan 0.000 0.455 649 S N 1.647 117.274 115.700 -0.122 0.000 2.383 649 S HA 0.164 4.634 4.470 0.000 0.000 0.227 649 S C 2.606 177.159 174.600 -0.078 0.000 1.026 649 S CA 0.860 59.016 58.200 -0.073 0.000 0.981 649 S CB -0.756 62.426 63.200 -0.031 0.000 0.818 649 S HN 0.787 nan 8.310 nan 0.000 0.472 650 A N 1.127 123.895 122.820 -0.086 0.000 1.873 650 A HA -0.029 4.291 4.320 0.000 0.000 0.215 650 A C 2.316 179.813 177.584 -0.146 0.000 1.186 650 A CA 1.383 53.360 52.037 -0.100 0.000 0.616 650 A CB -0.916 18.034 19.000 -0.082 0.000 0.823 650 A HN 0.331 nan 8.150 nan 0.000 0.442 651 V N -0.165 119.649 119.914 -0.168 0.000 2.332 651 V HA -0.343 3.778 4.120 0.000 0.000 0.248 651 V C 2.679 178.687 176.094 -0.144 0.000 1.055 651 V CA 2.425 64.620 62.300 -0.176 0.000 1.038 651 V CB -0.868 30.840 31.823 -0.192 0.000 0.651 651 V HN 0.651 nan 8.190 nan 0.000 0.450 652 Q N -0.812 118.919 119.800 -0.116 0.000 2.079 652 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 652 Q C 2.534 178.484 176.000 -0.083 0.000 0.974 652 Q CA 1.468 57.218 55.803 -0.087 0.000 0.840 652 Q CB -0.148 28.550 28.738 -0.067 0.000 0.898 652 Q HN 0.544 nan 8.270 nan 0.000 0.430 653 R N -0.184 120.263 120.500 -0.089 0.000 2.066 653 R HA -0.002 4.338 4.340 0.000 0.000 0.232 653 R C 0.727 176.954 176.300 -0.121 0.000 1.131 653 R CA 0.540 56.590 56.100 -0.083 0.000 0.955 653 R CB -0.185 30.072 30.300 -0.071 0.000 0.851 653 R HN 0.282 nan 8.270 nan 0.000 0.432 654 M N 0.577 120.071 119.600 -0.177 0.000 2.252 654 M HA 0.013 4.494 4.480 0.000 0.000 0.321 654 M C 0.798 176.917 176.300 -0.302 0.000 1.070 654 M CA 0.318 55.465 55.300 -0.254 0.000 1.143 654 M CB 0.323 32.740 32.600 -0.305 0.000 1.498 654 M HN 0.121 nan 8.290 nan 0.000 0.445 655 G N 1.408 109.875 108.800 -0.555 0.000 2.400 655 G HA2 0.568 4.529 3.960 0.000 0.000 0.301 655 G HA3 0.568 4.529 3.960 0.000 0.000 0.301 655 G C -1.741 172.773 174.900 -0.644 0.000 1.154 655 G CA -0.334 44.099 45.100 -1.111 0.000 0.852 655 G HN 0.579 nan 8.290 nan 0.000 0.511 656 F N 2.044 121.750 119.950 -0.407 0.000 2.610 656 F HA 0.569 5.096 4.527 0.000 0.000 0.355 656 F C 0.648 176.546 175.800 0.164 0.000 1.140 656 F CA -0.907 57.050 58.000 -0.073 0.000 1.037 656 F CB 1.154 40.116 39.000 -0.064 0.000 1.287 656 F HN 0.692 nan 8.300 nan 0.000 0.457 657 G N 3.002 111.742 108.800 -0.099 0.000 2.516 657 G HA2 0.319 4.280 3.960 0.000 0.000 0.276 657 G HA3 0.319 4.280 3.960 0.000 0.000 0.276 657 G C -1.193 173.474 174.900 -0.389 0.000 1.390 657 G CA -0.338 44.681 45.100 -0.135 0.000 1.050 657 G HN 0.597 nan 8.290 nan 0.000 0.519 658 N N -2.174 116.339 118.700 -0.312 0.000 2.636 658 N HA 0.523 5.263 4.740 0.000 0.000 0.261 658 N C -1.470 173.946 175.510 -0.157 0.000 1.195 658 N CA -0.626 52.298 53.050 -0.209 0.000 0.902 658 N CB 1.780 40.229 38.487 -0.063 0.000 1.627 658 N HN 0.853 nan 8.380 nan 0.000 0.491 659 L N 0.351 121.539 121.223 -0.058 0.000 2.591 659 L HA 0.746 5.087 4.340 0.000 0.000 0.257 659 L C -1.614 175.368 176.870 0.186 0.000 0.935 659 L CA -0.641 54.237 54.840 0.064 0.000 0.873 659 L CB 1.847 43.972 42.059 0.110 0.000 1.397 659 L HN 0.411 nan 8.230 nan 0.000 0.414 660 N N 1.402 120.212 118.700 0.184 0.000 2.380 660 N HA 0.641 5.381 4.740 0.000 0.000 0.290 660 N C -1.494 174.097 175.510 0.135 0.000 1.236 660 N CA -0.769 52.407 53.050 0.210 0.000 0.780 660 N CB 2.689 41.255 38.487 0.133 0.000 1.438 660 N HN 0.680 nan 8.380 nan 0.000 0.491 661 K N 0.368 120.836 120.400 0.114 0.000 2.426 661 K HA 0.596 4.916 4.320 0.000 0.000 0.251 661 K C -1.215 175.369 176.600 -0.026 0.000 0.941 661 K CA -0.818 55.492 56.287 0.039 0.000 0.808 661 K CB 2.590 35.136 32.500 0.078 0.000 1.265 661 K HN 0.131 nan 8.250 nan 0.000 0.432 662 V N 2.370 122.241 119.914 -0.072 0.000 2.407 662 V HA 0.220 4.340 4.120 0.000 0.000 0.291 662 V C -0.422 175.610 176.094 -0.103 0.000 1.018 662 V CA -0.970 61.271 62.300 -0.098 0.000 0.842 662 V CB 1.570 33.337 31.823 -0.094 0.000 0.996 662 V HN 0.486 nan 8.190 nan 0.000 0.426 663 V N 6.946 126.769 119.914 -0.152 0.000 2.406 663 V HA 0.421 4.541 4.120 0.000 0.000 0.272 663 V C -0.095 175.872 176.094 -0.213 0.000 1.043 663 V CA -0.295 61.906 62.300 -0.165 0.000 0.915 663 V CB 1.312 32.984 31.823 -0.251 0.000 0.988 663 V HN 0.650 nan 8.190 nan 0.000 0.466 664 L N 5.104 126.224 121.223 -0.172 0.000 2.318 664 L HA 0.458 4.798 4.340 0.000 0.000 0.277 664 L C -0.539 176.034 176.870 -0.494 0.000 1.008 664 L CA -0.207 54.424 54.840 -0.349 0.000 0.846 664 L CB 1.368 43.311 42.059 -0.194 0.000 1.220 664 L HN 0.566 nan 8.230 nan 0.000 0.423 665 C N 3.578 122.517 119.300 -0.602 0.000 2.265 665 C HA 0.566 5.026 4.460 0.000 0.000 0.332 665 C C 0.212 174.906 174.990 -0.494 0.000 1.248 665 C CA -0.604 58.076 59.018 -0.564 0.000 1.727 665 C CB -0.871 26.252 27.740 -1.030 0.000 2.348 665 C HN 0.451 nan 8.230 nan 0.000 0.519 666 F N 2.159 122.243 119.950 0.224 0.000 2.509 666 F HA 0.369 4.896 4.527 0.000 0.000 0.334 666 F C 1.466 177.461 175.800 0.325 0.000 1.060 666 F CA -0.754 57.428 58.000 0.303 0.000 0.997 666 F CB 0.900 40.176 39.000 0.461 0.000 1.271 666 F HN 0.556 nan 8.300 nan 0.000 0.488 667 D N -0.399 120.284 120.400 0.471 0.000 2.349 667 D HA 0.070 4.710 4.640 0.000 0.000 0.214 667 D C -0.060 176.371 176.300 0.218 0.000 1.063 667 D CA 0.128 54.314 54.000 0.310 0.000 0.847 667 D CB 0.264 41.202 40.800 0.230 0.000 0.933 667 D HN 0.664 nan 8.370 nan 0.000 0.513 668 R N -1.461 119.176 120.500 0.229 0.000 2.716 668 R HA 0.561 4.901 4.340 0.000 0.000 0.271 668 R C -1.688 174.499 176.300 -0.187 0.000 1.028 668 R CA -1.002 55.122 56.100 0.040 0.000 0.883 668 R CB 1.115 31.432 30.300 0.028 0.000 1.250 668 R HN -0.191 nan 8.270 nan 0.000 0.465 669 V N 3.078 122.706 119.914 -0.477 0.000 2.318 669 V HA 0.230 4.351 4.120 0.000 0.000 0.271 669 V C 0.133 175.645 176.094 -0.969 0.000 1.030 669 V CA -0.417 61.154 62.300 -1.215 0.000 0.844 669 V CB 0.258 31.467 31.823 -1.023 0.000 1.015 669 V HN 0.768 nan 8.190 nan 0.000 0.460 670 F N 2.289 121.658 119.950 -0.968 0.000 2.695 670 F HA 0.430 4.957 4.527 0.000 0.000 0.303 670 F C 0.538 175.885 175.800 -0.756 0.000 1.091 670 F CA -1.340 56.289 58.000 -0.618 0.000 1.300 670 F CB -0.395 38.343 39.000 -0.436 0.000 1.071 670 F HN 0.457 nan 8.300 nan 0.000 0.578 671 W N 0.402 121.063 121.300 -1.065 0.000 2.481 671 W HA 0.515 5.176 4.660 0.000 0.000 0.369 671 W C -0.294 175.978 176.519 -0.412 0.000 1.235 671 W CA -1.418 55.280 57.345 -1.079 0.000 1.344 671 W CB -0.020 28.835 29.460 -1.008 0.000 1.360 671 W HN -0.279 nan 8.180 nan 0.000 0.658 672 D N 1.734 122.183 120.400 0.082 0.000 2.346 672 D HA 0.121 4.761 4.640 0.000 0.000 0.260 672 D C -1.430 174.983 176.300 0.188 0.000 1.252 672 D CA -1.704 52.358 54.000 0.104 0.000 0.895 672 D CB 1.442 42.340 40.800 0.163 0.000 1.097 672 D HN 0.077 nan 8.370 nan 0.000 0.489 673 P HA -0.049 nan 4.420 nan 0.000 0.229 673 P C 1.009 178.391 177.300 0.135 0.000 1.160 673 P CA 0.516 63.671 63.100 0.091 0.000 0.777 673 P CB 0.190 31.867 31.700 -0.038 0.000 0.814 674 S N -1.990 113.774 115.700 0.108 0.000 2.593 674 S HA 0.091 4.562 4.470 0.000 0.000 0.217 674 S C 0.667 175.343 174.600 0.126 0.000 0.966 674 S CA -0.152 58.108 58.200 0.100 0.000 0.914 674 S CB -0.755 62.486 63.200 0.068 0.000 0.776 674 S HN -0.136 nan 8.310 nan 0.000 0.523 675 V N 2.978 122.996 119.914 0.174 0.000 2.350 675 V HA 0.303 4.424 4.120 0.000 0.000 0.276 675 V C 0.660 176.887 176.094 0.223 0.000 1.028 675 V CA -0.620 61.795 62.300 0.192 0.000 0.860 675 V CB 0.846 32.805 31.823 0.226 0.000 0.990 675 V HN 0.395 nan 8.190 nan 0.000 0.453 676 N N 3.740 122.542 118.700 0.169 0.000 2.354 676 N HA 0.145 4.885 4.740 0.000 0.000 0.179 676 N C 0.111 175.681 175.510 0.101 0.000 1.021 676 N CA 0.598 53.748 53.050 0.167 0.000 0.887 676 N CB 0.258 38.848 38.487 0.171 0.000 0.974 676 N HN 0.684 nan 8.380 nan 0.000 0.437 677 L N -2.591 118.648 121.223 0.026 0.000 2.582 677 L HA 0.630 4.970 4.340 0.000 0.000 0.257 677 L C -1.700 175.184 176.870 0.023 0.000 0.974 677 L CA -1.287 53.437 54.840 -0.194 0.000 0.851 677 L CB 1.413 43.075 42.059 -0.662 0.000 1.424 677 L HN -0.147 nan 8.230 nan 0.000 0.412 678 F N -0.757 119.147 119.950 -0.076 0.000 2.631 678 F HA 0.961 5.488 4.527 0.000 0.000 0.308 678 F C -0.207 175.639 175.800 0.077 0.000 1.097 678 F CA -0.627 57.385 58.000 0.020 0.000 0.952 678 F CB 1.493 40.608 39.000 0.191 0.000 1.307 678 F HN 0.700 nan 8.300 nan 0.000 0.450 679 G N 0.196 109.105 108.800 0.182 0.000 2.441 679 G HA2 0.458 4.418 3.960 0.000 0.000 0.334 679 G HA3 0.458 4.418 3.960 0.000 0.000 0.334 679 G C -2.145 172.967 174.900 0.353 0.000 1.161 679 G CA -0.741 44.474 45.100 0.190 0.000 0.935 679 G HN 1.102 nan 8.290 nan 0.000 0.488 680 H N 0.993 120.308 119.070 0.409 0.000 2.539 680 H HA 0.424 4.981 4.556 0.000 0.000 0.332 680 H C -1.185 174.377 175.328 0.390 0.000 1.031 680 H CA -0.536 55.731 56.048 0.366 0.000 1.206 680 H CB 1.778 31.804 29.762 0.440 0.000 1.446 680 H HN 0.194 nan 8.280 nan 0.000 0.496 681 V N 5.478 125.246 119.914 -0.243 0.000 2.408 681 V HA 0.221 4.341 4.120 0.000 0.000 0.267 681 V C 1.344 177.187 176.094 -0.419 0.000 1.047 681 V CA -0.115 62.086 62.300 -0.164 0.000 0.937 681 V CB 0.869 32.627 31.823 -0.108 0.000 0.999 681 V HN 0.904 nan 8.190 nan 0.000 0.472 682 G N 3.495 112.163 108.800 -0.220 0.000 2.636 682 G HA2 0.263 4.223 3.960 0.000 0.000 0.246 682 G HA3 0.263 4.223 3.960 0.000 0.000 0.246 682 G C 0.958 175.847 174.900 -0.018 0.000 1.216 682 G CA -0.063 44.980 45.100 -0.096 0.000 0.854 682 G HN 0.673 nan 8.290 nan 0.000 0.572 683 S N -1.093 114.631 115.700 0.041 0.000 2.395 683 S HA 0.055 4.525 4.470 0.000 0.000 0.225 683 S C 1.440 176.063 174.600 0.040 0.000 1.027 683 S CA 1.248 59.474 58.200 0.043 0.000 0.965 683 S CB -0.070 63.166 63.200 0.061 0.000 0.812 683 S HN 1.039 nan 8.310 nan 0.000 0.482 684 T N -2.020 112.561 114.554 0.045 0.000 2.916 684 T HA 0.408 4.758 4.350 0.000 0.000 0.292 684 T C 0.878 175.603 174.700 0.041 0.000 1.064 684 T CA -0.564 61.561 62.100 0.041 0.000 1.011 684 T CB 1.383 70.275 68.868 0.039 0.000 1.152 684 T HN -0.131 nan 8.240 nan 0.000 0.510 685 T N 1.245 115.824 114.554 0.042 0.000 2.746 685 T HA -0.024 4.326 4.350 0.000 0.000 0.267 685 T C 2.421 177.133 174.700 0.019 0.000 1.039 685 T CA 1.594 63.719 62.100 0.042 0.000 1.142 685 T CB -0.888 68.007 68.868 0.045 0.000 0.866 685 T HN 0.839 nan 8.240 nan 0.000 0.444 686 A N 1.833 124.663 122.820 0.016 0.000 1.917 686 A HA -0.140 4.180 4.320 0.000 0.000 0.219 686 A C 2.348 179.938 177.584 0.009 0.000 1.182 686 A CA 2.254 54.295 52.037 0.007 0.000 0.633 686 A CB -0.728 18.280 19.000 0.013 0.000 0.819 686 A HN 0.608 nan 8.150 nan 0.000 0.448 687 S N -0.383 115.333 115.700 0.026 0.000 2.582 687 S HA 0.084 4.554 4.470 0.000 0.000 0.234 687 S C 1.526 176.152 174.600 0.043 0.000 0.961 687 S CA 0.334 58.559 58.200 0.041 0.000 0.953 687 S CB -0.320 62.921 63.200 0.069 0.000 0.800 687 S HN 0.741 nan 8.310 nan 0.000 0.471 688 R N 1.017 121.522 120.500 0.008 0.000 2.117 688 R HA -0.058 4.282 4.340 0.000 0.000 0.243 688 R C 1.923 178.170 176.300 -0.088 0.000 1.143 688 R CA 1.870 57.956 56.100 -0.024 0.000 0.968 688 R CB -1.367 28.904 30.300 -0.048 0.000 0.863 688 R HN 0.411 nan 8.270 nan 0.000 0.444 689 G N 1.020 109.748 108.800 -0.120 0.000 2.920 689 G HA2 -0.174 3.786 3.960 0.000 0.000 0.208 689 G HA3 -0.174 3.786 3.960 0.000 0.000 0.208 689 G C 0.150 175.099 174.900 0.081 0.000 1.159 689 G CA -0.267 44.730 45.100 -0.172 0.000 0.784 689 G HN 0.522 nan 8.290 nan 0.000 0.535 690 E N 1.196 121.467 120.200 0.119 0.000 2.081 690 E HA 0.258 4.608 4.350 0.000 0.000 0.270 690 E C 0.431 177.166 176.600 0.226 0.000 1.180 690 E CA -0.488 56.003 56.400 0.151 0.000 0.926 690 E CB -0.381 29.395 29.700 0.126 0.000 1.035 690 E HN 0.236 nan 8.360 nan 0.000 0.418 691 L N 4.709 126.016 121.223 0.140 0.000 3.678 691 L HA -0.295 4.046 4.340 0.000 0.000 0.425 691 L C 0.667 177.629 176.870 0.153 0.000 1.240 691 L CA 0.119 54.950 54.840 -0.015 0.000 0.876 691 L CB -2.081 39.965 42.059 -0.021 0.000 1.766 691 L HN 0.656 nan 8.230 nan 0.000 0.917 692 F N -0.726 119.254 119.950 0.050 0.000 2.558 692 F HA 0.415 4.942 4.527 0.000 0.000 0.298 692 F C 0.557 176.518 175.800 0.268 0.000 1.119 692 F CA 0.213 58.329 58.000 0.194 0.000 1.451 692 F CB 0.121 39.081 39.000 -0.067 0.000 1.091 692 F HN 0.105 nan 8.300 nan 0.000 0.563 693 L N 0.059 120.668 121.223 -1.023 0.000 2.422 693 L HA 0.622 4.962 4.340 0.000 0.000 0.264 693 L C -1.944 174.419 176.870 -0.845 0.000 0.984 693 L CA -1.122 53.179 54.840 -0.900 0.000 0.819 693 L CB 1.836 42.990 42.059 -1.509 0.000 1.330 693 L HN -0.037 nan 8.230 nan 0.000 0.410 694 F N 2.724 122.207 119.950 -0.778 0.000 2.507 694 F HA 0.557 5.084 4.527 0.000 0.000 0.325 694 F C -1.058 174.307 175.800 -0.725 0.000 1.116 694 F CA -0.151 57.393 58.000 -0.759 0.000 0.930 694 F CB 1.606 39.890 39.000 -1.193 0.000 1.146 694 F HN 0.380 nan 8.300 nan 0.000 0.447 695 W N 2.290 123.432 121.300 -0.263 0.000 2.520 695 W HA 0.427 5.087 4.660 0.000 0.000 0.323 695 W C -0.264 176.169 176.519 -0.143 0.000 1.062 695 W CA -0.624 56.622 57.345 -0.166 0.000 1.215 695 W CB 1.263 30.660 29.460 -0.105 0.000 1.340 695 W HN 0.320 nan 8.180 nan 0.000 0.516 696 N N 3.546 122.336 118.700 0.151 0.000 2.564 696 N HA 0.367 5.107 4.740 0.000 0.000 0.248 696 N C -0.757 174.858 175.510 0.175 0.000 0.986 696 N CA -0.153 52.944 53.050 0.079 0.000 0.921 696 N CB 0.519 39.054 38.487 0.080 0.000 1.136 696 N HN 0.596 nan 8.380 nan 0.000 0.509 697 L N 1.848 123.147 121.223 0.127 0.000 3.327 697 L HA 0.362 4.702 4.340 0.000 0.000 0.299 697 L C -0.558 176.131 176.870 -0.301 0.000 1.201 697 L CA -0.141 54.622 54.840 -0.128 0.000 1.059 697 L CB 0.165 41.966 42.059 -0.431 0.000 1.488 697 L HN 0.367 nan 8.230 nan 0.000 0.609 698 Y N -0.533 119.872 120.300 0.174 0.000 2.699 698 Y HA 0.313 4.863 4.550 0.000 0.000 0.326 698 Y C 1.357 177.347 175.900 0.150 0.000 1.141 698 Y CA -0.921 57.269 58.100 0.149 0.000 1.246 698 Y CB 0.644 39.192 38.460 0.147 0.000 1.426 698 Y HN -0.270 nan 8.280 nan 0.000 0.559 699 K N 0.663 121.244 120.400 0.302 0.000 2.057 699 K HA 0.002 4.323 4.320 0.000 0.000 0.207 699 K C 0.617 177.325 176.600 0.180 0.000 1.049 699 K CA 1.238 57.634 56.287 0.182 0.000 0.931 699 K CB -0.240 32.333 32.500 0.122 0.000 0.714 699 K HN 0.586 nan 8.250 nan 0.000 0.440 700 A N 2.279 125.229 122.820 0.216 0.000 2.332 700 A HA 0.221 4.541 4.320 0.000 0.000 0.258 700 A C -2.287 175.519 177.584 0.370 0.000 1.087 700 A CA -1.383 50.785 52.037 0.220 0.000 0.802 700 A CB -0.174 18.927 19.000 0.170 0.000 1.042 700 A HN 0.015 nan 8.150 nan 0.000 0.489 701 P HA 0.294 nan 4.420 nan 0.000 0.268 701 P C -1.032 176.713 177.300 0.743 0.000 1.485 701 P CA 0.782 64.238 63.100 0.593 0.000 1.102 701 P CB -0.325 31.622 31.700 0.411 0.000 1.501 702 I N 3.343 124.277 120.570 0.607 0.000 2.608 702 I HA 0.406 4.576 4.170 0.000 0.000 0.295 702 I C 0.005 176.201 176.117 0.131 0.000 1.049 702 I CA -1.093 60.432 61.300 0.376 0.000 1.063 702 I CB 2.561 40.769 38.000 0.347 0.000 1.248 702 I HN 0.010 nan 8.210 nan 0.000 0.424 703 L N 6.109 127.360 121.223 0.047 0.000 2.362 703 L HA 0.573 4.913 4.340 0.000 0.000 0.275 703 L C -1.034 175.886 176.870 0.084 0.000 0.998 703 L CA -0.660 54.152 54.840 -0.047 0.000 0.820 703 L CB 2.342 44.352 42.059 -0.082 0.000 1.270 703 L HN 0.434 nan 8.230 nan 0.000 0.415 704 L N 3.121 124.404 121.223 0.100 0.000 2.305 704 L HA 0.717 5.057 4.340 0.000 0.000 0.284 704 L C -0.153 176.685 176.870 -0.054 0.000 1.013 704 L CA -0.229 54.651 54.840 0.066 0.000 0.819 704 L CB 1.591 43.729 42.059 0.131 0.000 1.227 704 L HN 0.722 nan 8.230 nan 0.000 0.417 705 A N 5.076 127.766 122.820 -0.216 0.000 2.305 705 A HA 0.721 5.041 4.320 0.000 0.000 0.322 705 A C -1.118 176.250 177.584 -0.361 0.000 1.187 705 A CA -0.532 51.154 52.037 -0.586 0.000 0.825 705 A CB 1.004 19.577 19.000 -0.711 0.000 1.164 705 A HN 0.515 nan 8.150 nan 0.000 0.498 706 L N 1.954 122.910 121.223 -0.446 0.000 2.322 706 L HA 0.578 4.918 4.340 0.000 0.000 0.279 706 L C -0.267 176.566 176.870 -0.063 0.000 1.036 706 L CA -0.266 54.432 54.840 -0.236 0.000 0.807 706 L CB 1.830 43.654 42.059 -0.391 0.000 1.226 706 L HN 0.405 nan 8.230 nan 0.000 0.433 707 V N 2.708 122.657 119.914 0.058 0.000 2.407 707 V HA 0.871 4.991 4.120 0.000 0.000 0.291 707 V C -0.027 176.148 176.094 0.134 0.000 1.018 707 V CA -0.552 61.809 62.300 0.102 0.000 0.842 707 V CB 1.147 33.000 31.823 0.051 0.000 0.996 707 V HN 0.903 nan 8.190 nan 0.000 0.426 708 A N 3.445 126.335 122.820 0.117 0.000 2.437 708 A HA 1.033 5.353 4.320 0.000 0.000 0.292 708 A C 0.677 178.221 177.584 -0.067 0.000 1.173 708 A CA 0.030 52.088 52.037 0.035 0.000 0.785 708 A CB 1.263 20.266 19.000 0.005 0.000 1.351 708 A HN 2.009 nan 8.150 nan 0.000 0.431 709 G N 0.017 108.760 108.800 -0.095 0.000 2.582 709 G HA2 -0.264 3.696 3.960 0.000 0.000 0.288 709 G HA3 -0.264 3.696 3.960 0.000 0.000 0.288 709 G C 0.647 175.497 174.900 -0.084 0.000 1.247 709 G CA 0.606 45.634 45.100 -0.121 0.000 0.972 709 G HN 0.825 nan 8.290 nan 0.000 0.557 710 E N 0.344 120.497 120.200 -0.079 0.000 2.209 710 E HA -0.119 4.231 4.350 0.000 0.000 0.196 710 E C 2.906 179.490 176.600 -0.027 0.000 0.993 710 E CA 1.775 58.145 56.400 -0.050 0.000 0.819 710 E CB -0.631 29.042 29.700 -0.045 0.000 0.745 710 E HN 0.854 nan 8.360 nan 0.000 0.477 711 A N 1.486 124.292 122.820 -0.023 0.000 1.969 711 A HA -0.025 4.295 4.320 0.000 0.000 0.218 711 A C 2.452 180.040 177.584 0.008 0.000 1.169 711 A CA 1.631 53.668 52.037 0.001 0.000 0.635 711 A CB -0.461 18.548 19.000 0.015 0.000 0.810 711 A HN 0.267 nan 8.150 nan 0.000 0.445 712 A N -0.186 122.636 122.820 0.004 0.000 1.873 712 A HA -0.012 4.309 4.320 0.000 0.000 0.218 712 A C 2.457 180.051 177.584 0.017 0.000 1.193 712 A CA 2.254 54.302 52.037 0.018 0.000 0.629 712 A CB -1.537 17.471 19.000 0.013 0.000 0.826 712 A HN 0.779 nan 8.150 nan 0.000 0.447 713 G N -0.357 108.447 108.800 0.006 0.000 2.418 713 G HA2 -0.159 3.801 3.960 0.000 0.000 0.217 713 G HA3 -0.159 3.801 3.960 0.000 0.000 0.217 713 G C 1.536 176.441 174.900 0.007 0.000 1.158 713 G CA 1.135 46.241 45.100 0.009 0.000 0.771 713 G HN 0.508 nan 8.290 nan 0.000 0.545 714 I N 0.772 121.345 120.570 0.005 0.000 2.202 714 I HA -0.134 4.036 4.170 0.000 0.000 0.242 714 I C 2.768 178.889 176.117 0.006 0.000 1.091 714 I CA 0.809 62.112 61.300 0.005 0.000 1.368 714 I CB -0.240 37.763 38.000 0.006 0.000 1.058 714 I HN 0.099 nan 8.210 nan 0.000 0.410 715 M N 0.239 119.844 119.600 0.009 0.000 2.346 715 M HA -0.181 4.299 4.480 0.000 0.000 0.263 715 M C 1.932 178.231 176.300 -0.002 0.000 1.064 715 M CA 1.505 56.809 55.300 0.006 0.000 1.083 715 M CB -1.131 31.475 32.600 0.011 0.000 1.399 715 M HN 0.326 nan 8.290 nan 0.000 0.435 716 E N 0.508 120.707 120.200 -0.001 0.000 2.204 716 E HA -0.181 4.170 4.350 0.000 0.000 0.195 716 E C 1.084 177.674 176.600 -0.017 0.000 0.990 716 E CA 0.928 57.321 56.400 -0.011 0.000 0.821 716 E CB -0.300 29.397 29.700 -0.005 0.000 0.750 716 E HN 0.560 nan 8.360 nan 0.000 0.477 717 N N -0.089 118.605 118.700 -0.010 0.000 2.383 717 N HA 0.105 4.846 4.740 0.000 0.000 0.192 717 N C -0.364 175.140 175.510 -0.010 0.000 1.141 717 N CA 0.180 53.223 53.050 -0.011 0.000 0.851 717 N CB 0.413 38.896 38.487 -0.007 0.000 0.976 717 N HN 0.026 nan 8.380 nan 0.000 0.465 718 I N 0.331 120.895 120.570 -0.011 0.000 2.412 718 I HA 0.193 4.363 4.170 0.000 0.000 0.296 718 I C 0.340 176.447 176.117 -0.017 0.000 0.987 718 I CA -0.937 60.357 61.300 -0.009 0.000 1.180 718 I CB 1.590 39.589 38.000 -0.003 0.000 1.340 718 I HN 0.028 nan 8.210 nan 0.000 0.455 719 S N 3.490 119.180 115.700 -0.016 0.000 2.573 719 S HA 0.031 4.501 4.470 0.000 0.000 0.277 719 S C 0.763 175.348 174.600 -0.026 0.000 1.346 719 S CA -0.523 57.664 58.200 -0.022 0.000 1.034 719 S CB 0.797 63.986 63.200 -0.017 0.000 0.879 719 S HN 0.620 nan 8.310 nan 0.000 0.528 720 D N 1.668 122.046 120.400 -0.036 0.000 2.116 720 D HA -0.158 4.483 4.640 0.000 0.000 0.193 720 D C 1.172 177.453 176.300 -0.032 0.000 0.998 720 D CA 1.770 55.743 54.000 -0.045 0.000 0.836 720 D CB -0.473 40.290 40.800 -0.061 0.000 0.951 720 D HN 0.655 nan 8.370 nan 0.000 0.449 721 D N 0.483 120.869 120.400 -0.024 0.000 2.123 721 D HA -0.116 4.525 4.640 0.000 0.000 0.196 721 D C 2.282 178.580 176.300 -0.003 0.000 0.992 721 D CA 0.432 54.424 54.000 -0.013 0.000 0.833 721 D CB -0.337 40.457 40.800 -0.010 0.000 0.954 721 D HN 0.086 nan 8.370 nan 0.000 0.455 722 V N 0.628 120.540 119.914 -0.003 0.000 2.453 722 V HA -0.158 3.962 4.120 0.000 0.000 0.247 722 V C 2.361 178.460 176.094 0.009 0.000 1.048 722 V CA 0.924 63.227 62.300 0.005 0.000 1.049 722 V CB -0.282 31.543 31.823 0.004 0.000 0.672 722 V HN 0.201 nan 8.190 nan 0.000 0.457 723 I N -0.403 120.167 120.570 0.000 0.000 2.163 723 I HA -0.185 3.985 4.170 0.000 0.000 0.240 723 I C 2.381 178.506 176.117 0.014 0.000 1.081 723 I CA 1.225 62.527 61.300 0.002 0.000 1.353 723 I CB -0.441 37.550 38.000 -0.015 0.000 1.054 723 I HN 0.119 nan 8.210 nan 0.000 0.407 724 V N 1.180 121.098 119.914 0.006 0.000 2.392 724 V HA -0.234 3.886 4.120 0.000 0.000 0.249 724 V C 2.591 178.715 176.094 0.051 0.000 1.059 724 V CA 2.171 64.485 62.300 0.023 0.000 1.051 724 V CB -1.494 30.325 31.823 -0.005 0.000 0.658 724 V HN 0.599 nan 8.190 nan 0.000 0.455 725 G N -0.210 108.612 108.800 0.036 0.000 2.446 725 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 725 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 725 G C 1.749 176.677 174.900 0.047 0.000 1.168 725 G CA 0.762 45.886 45.100 0.039 0.000 0.771 725 G HN 0.433 nan 8.290 nan 0.000 0.551 726 R N -0.603 119.924 120.500 0.045 0.000 2.081 726 R HA -0.066 4.274 4.340 0.000 0.000 0.235 726 R C 2.731 179.073 176.300 0.070 0.000 1.131 726 R CA 1.293 57.421 56.100 0.046 0.000 0.960 726 R CB -0.768 29.557 30.300 0.041 0.000 0.856 726 R HN 0.390 nan 8.270 nan 0.000 0.436 727 C N 0.882 120.251 119.300 0.115 0.000 2.413 727 C HA -0.101 4.359 4.460 0.000 0.000 0.277 727 C C 2.668 177.787 174.990 0.214 0.000 1.228 727 C CA 0.697 59.854 59.018 0.233 0.000 1.731 727 C CB -0.959 26.930 27.740 0.249 0.000 2.042 727 C HN 0.441 nan 8.230 nan 0.000 0.468 728 L N 1.003 122.325 121.223 0.165 0.000 2.046 728 L HA -0.165 4.175 4.340 0.000 0.000 0.208 728 L C 2.918 179.819 176.870 0.052 0.000 1.077 728 L CA 1.695 56.612 54.840 0.129 0.000 0.747 728 L CB -1.034 41.092 42.059 0.111 0.000 0.896 728 L HN 0.359 nan 8.230 nan 0.000 0.432 729 A N 0.618 123.461 122.820 0.038 0.000 1.883 729 A HA -0.207 4.113 4.320 0.000 0.000 0.217 729 A C 2.211 179.783 177.584 -0.020 0.000 1.186 729 A CA 1.719 53.760 52.037 0.006 0.000 0.624 729 A CB -0.688 18.319 19.000 0.012 0.000 0.822 729 A HN 0.329 nan 8.150 nan 0.000 0.444 730 I N -0.339 120.212 120.570 -0.032 0.000 2.127 730 I HA -0.293 3.877 4.170 0.000 0.000 0.241 730 I C 2.436 178.482 176.117 -0.118 0.000 1.075 730 I CA 1.416 62.649 61.300 -0.110 0.000 1.334 730 I CB -0.403 37.482 38.000 -0.191 0.000 1.040 730 I HN 0.294 nan 8.210 nan 0.000 0.405 731 L N 0.265 121.443 121.223 -0.075 0.000 2.042 731 L HA -0.244 4.096 4.340 0.000 0.000 0.210 731 L C 2.560 179.419 176.870 -0.019 0.000 1.076 731 L CA 1.554 56.393 54.840 -0.002 0.000 0.749 731 L CB -0.665 41.496 42.059 0.169 0.000 0.893 731 L HN 0.183 nan 8.230 nan 0.000 0.432 732 K N 0.020 120.384 120.400 -0.061 0.000 2.063 732 K HA -0.136 4.184 4.320 0.000 0.000 0.208 732 K C 2.154 178.698 176.600 -0.094 0.000 1.048 732 K CA 1.350 57.586 56.287 -0.085 0.000 0.928 732 K CB -0.552 31.904 32.500 -0.072 0.000 0.713 732 K HN 0.425 nan 8.250 nan 0.000 0.442 733 G N 1.140 109.880 108.800 -0.099 0.000 2.432 733 G HA2 -0.206 3.755 3.960 0.000 0.000 0.219 733 G HA3 -0.206 3.755 3.960 0.000 0.000 0.219 733 G C 1.454 176.236 174.900 -0.197 0.000 1.135 733 G CA 0.695 45.731 45.100 -0.106 0.000 0.767 733 G HN 0.144 nan 8.290 nan 0.000 0.550 734 I N -0.959 119.401 120.570 -0.351 0.000 2.364 734 I HA 0.118 4.288 4.170 0.000 0.000 0.241 734 I C 1.887 177.584 176.117 -0.699 0.000 1.082 734 I CA 0.586 61.453 61.300 -0.721 0.000 1.401 734 I CB -0.064 37.129 38.000 -1.345 0.000 1.126 734 I HN 0.044 nan 8.210 nan 0.000 0.429 735 F N 1.061 120.866 119.950 -0.241 0.000 2.789 735 F HA 0.388 4.915 4.527 0.000 0.000 0.300 735 F C 1.090 176.812 175.800 -0.131 0.000 1.132 735 F CA 0.234 58.141 58.000 -0.155 0.000 1.404 735 F CB -0.330 38.653 39.000 -0.029 0.000 1.114 735 F HN 0.110 nan 8.300 nan 0.000 0.584 736 G N -0.210 108.579 108.800 -0.017 0.000 2.770 736 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 736 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 736 G C 0.453 175.312 174.900 -0.068 0.000 1.180 736 G CA -0.341 44.735 45.100 -0.039 0.000 0.767 736 G HN -0.003 nan 8.290 nan 0.000 0.646 737 S N 0.119 115.780 115.700 -0.065 0.000 2.359 737 S HA -0.187 4.283 4.470 0.000 0.000 0.224 737 S C 2.857 177.404 174.600 -0.089 0.000 1.035 737 S CA 2.938 61.094 58.200 -0.073 0.000 1.018 737 S CB -0.318 62.852 63.200 -0.049 0.000 0.876 737 S HN 2.040 nan 8.310 nan 0.000 0.448 738 S N 1.026 116.682 115.700 -0.073 0.000 2.453 738 S HA 0.167 4.638 4.470 0.000 0.000 0.231 738 S C 1.938 176.473 174.600 -0.107 0.000 1.005 738 S CA 0.877 59.033 58.200 -0.073 0.000 0.949 738 S CB -0.468 62.703 63.200 -0.048 0.000 0.774 738 S HN 0.564 nan 8.310 nan 0.000 0.510 739 A N 1.293 124.033 122.820 -0.133 0.000 1.968 739 A HA 0.287 4.607 4.320 0.000 0.000 0.217 739 A C 1.059 178.387 177.584 -0.426 0.000 1.169 739 A CA 0.781 52.707 52.037 -0.185 0.000 0.638 739 A CB -0.541 18.398 19.000 -0.101 0.000 0.812 739 A HN 0.457 nan 8.150 nan 0.000 0.446 740 V N 3.071 122.652 119.914 -0.555 0.000 2.353 740 V HA 0.256 4.376 4.120 0.000 0.000 0.264 740 V C -2.035 173.827 176.094 -0.386 0.000 1.049 740 V CA -1.571 60.205 62.300 -0.874 0.000 0.896 740 V CB 0.488 31.831 31.823 -0.800 0.000 1.025 740 V HN 0.362 nan 8.190 nan 0.000 0.475 741 P HA 0.282 nan 4.420 nan 0.000 0.279 741 P C -0.678 176.736 177.300 0.191 0.000 1.276 741 P CA -0.706 62.405 63.100 0.018 0.000 0.801 741 P CB 0.828 32.593 31.700 0.108 0.000 1.127 742 Q N 0.745 120.650 119.800 0.175 0.000 2.352 742 Q HA 0.233 4.574 4.340 0.000 0.000 0.260 742 Q C -1.833 174.313 176.000 0.244 0.000 0.976 742 Q CA -1.362 54.551 55.803 0.184 0.000 0.881 742 Q CB -0.349 28.446 28.738 0.096 0.000 1.235 742 Q HN 0.376 nan 8.270 nan 0.000 0.419 743 P HA 0.083 nan 4.420 nan 0.000 0.271 743 P C 0.201 177.451 177.300 -0.083 0.000 1.218 743 P CA -0.194 62.811 63.100 -0.158 0.000 0.780 743 P CB 1.015 32.476 31.700 -0.397 0.000 0.901 744 K N 0.764 121.106 120.400 -0.096 0.000 2.167 744 K HA 0.059 4.380 4.320 0.000 0.000 0.203 744 K C 0.476 177.020 176.600 -0.095 0.000 1.052 744 K CA 1.178 57.447 56.287 -0.030 0.000 0.956 744 K CB 0.369 32.912 32.500 0.071 0.000 0.735 744 K HN 0.549 nan 8.250 nan 0.000 0.451 745 E N 0.609 120.671 120.200 -0.230 0.000 2.321 745 E HA 0.191 4.541 4.350 0.000 0.000 0.278 745 E C -0.985 175.436 176.600 -0.298 0.000 0.902 745 E CA -0.326 55.947 56.400 -0.213 0.000 0.758 745 E CB 2.345 31.937 29.700 -0.179 0.000 1.213 745 E HN 0.088 nan 8.360 nan 0.000 0.426 746 T N -1.689 112.710 114.554 -0.258 0.000 2.916 746 T HA 0.718 5.068 4.350 0.000 0.000 0.298 746 T C -0.463 174.032 174.700 -0.341 0.000 1.031 746 T CA -0.717 61.207 62.100 -0.294 0.000 0.993 746 T CB 1.272 70.019 68.868 -0.202 0.000 1.045 746 T HN 0.100 nan 8.240 nan 0.000 0.454 747 V N 2.132 121.793 119.914 -0.421 0.000 2.709 747 V HA 0.746 4.867 4.120 0.000 0.000 0.308 747 V C -0.605 175.321 176.094 -0.279 0.000 1.062 747 V CA -0.915 61.125 62.300 -0.433 0.000 0.901 747 V CB 1.954 33.336 31.823 -0.736 0.000 1.003 747 V HN 0.921 nan 8.190 nan 0.000 0.425 748 V N 3.012 122.799 119.914 -0.211 0.000 2.483 748 V HA 0.544 4.664 4.120 0.000 0.000 0.297 748 V C 0.308 176.305 176.094 -0.163 0.000 1.027 748 V CA -0.409 61.800 62.300 -0.152 0.000 0.855 748 V CB 2.082 33.837 31.823 -0.114 0.000 0.995 748 V HN 1.062 nan 8.190 nan 0.000 0.424 749 S N 5.241 120.854 115.700 -0.145 0.000 2.610 749 S HA 0.645 5.115 4.470 0.000 0.000 0.273 749 S C -0.083 174.390 174.600 -0.211 0.000 1.274 749 S CA -0.725 57.326 58.200 -0.248 0.000 1.023 749 S CB 1.054 64.130 63.200 -0.206 0.000 0.962 749 S HN 0.715 nan 8.310 nan 0.000 0.523 750 R N 1.299 121.599 120.500 -0.334 0.000 2.687 750 R HA 0.176 4.516 4.340 0.000 0.000 0.264 750 R C -0.511 175.682 176.300 -0.179 0.000 1.715 750 R CA -0.265 55.730 56.100 -0.175 0.000 1.633 750 R CB 0.022 30.243 30.300 -0.132 0.000 1.353 750 R HN 0.837 nan 8.270 nan 0.000 0.653 751 W N 0.578 121.886 121.300 0.014 0.000 2.342 751 W HA -0.144 4.516 4.660 0.001 0.000 0.297 751 W C 2.292 178.834 176.519 0.039 0.000 1.213 751 W CA 0.753 58.118 57.345 0.033 0.000 1.251 751 W CB -0.009 29.469 29.460 0.030 0.000 1.136 751 W HN 0.302 nan 8.180 nan 0.000 0.526 752 R N 0.983 121.606 120.500 0.205 0.000 2.081 752 R HA -0.090 4.251 4.340 0.000 0.000 0.235 752 R C 2.108 178.455 176.300 0.080 0.000 1.131 752 R CA 1.911 58.096 56.100 0.143 0.000 0.960 752 R CB -1.003 29.352 30.300 0.091 0.000 0.856 752 R HN 0.058 nan 8.270 nan 0.000 0.436 753 A N 0.131 122.964 122.820 0.022 0.000 2.119 753 A HA -0.031 4.289 4.320 0.000 0.000 0.216 753 A C 0.438 177.977 177.584 -0.075 0.000 1.152 753 A CA 0.550 52.567 52.037 -0.034 0.000 0.708 753 A CB -0.453 18.514 19.000 -0.055 0.000 0.805 753 A HN 0.344 nan 8.150 nan 0.000 0.460 754 D N 0.638 121.010 120.400 -0.047 0.000 2.363 754 D HA 0.079 4.719 4.640 0.000 0.000 0.263 754 D C -1.448 174.772 176.300 -0.133 0.000 1.258 754 D CA -1.807 52.142 54.000 -0.084 0.000 0.907 754 D CB 1.103 41.902 40.800 -0.001 0.000 1.107 754 D HN 0.144 nan 8.370 nan 0.000 0.495 755 P HA -0.086 nan 4.420 nan 0.000 0.225 755 P C 0.722 177.727 177.300 -0.492 0.000 1.148 755 P CA 0.888 63.639 63.100 -0.582 0.000 0.779 755 P CB -0.087 31.004 31.700 -1.015 0.000 0.780 756 W N -0.874 120.479 121.300 0.089 0.000 3.278 756 W HA 0.477 5.138 4.660 0.000 0.000 0.308 756 W C 1.845 178.456 176.519 0.154 0.000 1.253 756 W CA 0.065 57.471 57.345 0.102 0.000 1.759 756 W CB 0.017 29.535 29.460 0.096 0.000 1.093 756 W HN -0.027 nan 8.180 nan 0.000 0.648 757 A N -0.180 122.837 122.820 0.329 0.000 1.921 757 A HA 0.259 4.579 4.320 0.000 0.000 0.202 757 A C 1.392 179.189 177.584 0.355 0.000 1.721 757 A CA -0.104 52.169 52.037 0.393 0.000 1.025 757 A CB 0.192 19.552 19.000 0.600 0.000 1.060 757 A HN -0.014 nan 8.150 nan 0.000 0.535 758 R N -0.457 120.222 120.500 0.299 0.000 3.651 758 R HA -0.140 4.201 4.340 0.000 0.000 0.292 758 R C 0.447 177.040 176.300 0.487 0.000 1.161 758 R CA 1.156 57.415 56.100 0.265 0.000 0.787 758 R CB -2.511 27.864 30.300 0.125 0.000 1.249 758 R HN 1.990 nan 8.270 nan 0.000 0.476 759 G N -2.481 106.618 108.800 0.499 0.000 2.369 759 G HA2 0.114 4.074 3.960 0.000 0.000 0.293 759 G HA3 0.114 4.074 3.960 0.000 0.000 0.293 759 G C 0.307 175.193 174.900 -0.024 0.000 1.301 759 G CA 0.285 45.501 45.100 0.194 0.000 0.913 759 G HN 0.296 nan 8.290 nan 0.000 0.540 760 S N -1.330 114.063 115.700 -0.512 0.000 2.517 760 S HA 0.601 5.072 4.470 0.000 0.000 0.228 760 S C 0.551 174.900 174.600 -0.418 0.000 1.060 760 S CA 1.638 59.531 58.200 -0.511 0.000 0.937 760 S CB 0.009 62.868 63.200 -0.569 0.000 0.840 760 S HN 2.073 nan 8.310 nan 0.000 0.546 761 Y N 0.704 120.601 120.300 -0.671 0.000 2.677 761 Y HA 0.728 5.279 4.550 0.000 0.000 0.334 761 Y C -0.387 175.344 175.900 -0.281 0.000 1.196 761 Y CA -1.343 56.545 58.100 -0.354 0.000 1.059 761 Y CB 0.396 38.789 38.460 -0.111 0.000 1.315 761 Y HN 0.211 nan 8.280 nan 0.000 0.455 762 S N 1.020 116.943 115.700 0.371 0.000 2.600 762 S HA 0.629 5.099 4.470 0.000 0.000 0.265 762 S C -0.887 173.955 174.600 0.403 0.000 1.325 762 S CA 0.161 58.585 58.200 0.373 0.000 1.002 762 S CB 0.449 63.922 63.200 0.455 0.000 0.921 762 S HN 1.254 nan 8.310 nan 0.000 0.554 763 Y N -2.377 118.082 120.300 0.266 0.000 2.609 763 Y HA 0.642 5.192 4.550 0.000 0.000 0.336 763 Y C -1.344 174.712 175.900 0.260 0.000 1.129 763 Y CA -1.713 56.537 58.100 0.250 0.000 1.040 763 Y CB 0.613 39.164 38.460 0.151 0.000 1.310 763 Y HN 0.409 nan 8.280 nan 0.000 0.460 764 V N 3.151 123.353 119.914 0.481 0.000 2.338 764 V HA 0.579 4.699 4.120 0.000 0.000 0.255 764 V C 0.762 177.094 176.094 0.397 0.000 1.082 764 V CA -0.090 62.427 62.300 0.361 0.000 0.951 764 V CB -0.593 31.459 31.823 0.382 0.000 1.102 764 V HN 0.965 nan 8.190 nan 0.000 0.489 765 A N 4.498 127.437 122.820 0.198 0.000 2.386 765 A HA 0.697 5.017 4.320 0.000 0.000 0.248 765 A C 0.895 178.598 177.584 0.199 0.000 1.082 765 A CA 0.130 52.327 52.037 0.268 0.000 0.789 765 A CB 0.354 19.391 19.000 0.061 0.000 1.025 765 A HN 1.268 nan 8.150 nan 0.000 0.490 766 A N 0.345 123.272 122.820 0.179 0.000 2.524 766 A HA 0.489 4.809 4.320 0.000 0.000 0.250 766 A C 1.485 179.116 177.584 0.078 0.000 1.078 766 A CA 0.776 52.879 52.037 0.109 0.000 0.761 766 A CB -0.862 18.176 19.000 0.062 0.000 1.012 766 A HN 2.711 nan 8.150 nan 0.000 0.500 767 G N 0.988 109.832 108.800 0.074 0.000 2.195 767 G HA2 -0.142 3.818 3.960 0.000 0.000 0.224 767 G HA3 -0.142 3.818 3.960 0.000 0.000 0.224 767 G C 0.588 175.520 174.900 0.053 0.000 0.990 767 G CA 0.628 45.757 45.100 0.048 0.000 0.639 767 G HN 1.550 nan 8.290 nan 0.000 0.514 768 S N -0.743 115.005 115.700 0.080 0.000 2.776 768 S HA 0.935 5.405 4.470 0.000 0.000 0.306 768 S C 0.197 174.857 174.600 0.100 0.000 1.114 768 S CA 1.140 59.368 58.200 0.046 0.000 0.973 768 S CB 1.809 65.008 63.200 -0.001 0.000 1.250 768 S HN 2.085 nan 8.310 nan 0.000 0.549 769 S N -1.199 114.508 115.700 0.012 0.000 2.643 769 S HA 0.444 4.915 4.470 0.000 0.000 0.266 769 S C 0.800 175.380 174.600 -0.033 0.000 1.130 769 S CA -0.095 58.020 58.200 -0.142 0.000 0.817 769 S CB 0.366 63.362 63.200 -0.340 0.000 1.107 769 S HN 1.132 nan 8.310 nan 0.000 0.471 770 G N 1.154 109.915 108.800 -0.066 0.000 2.479 770 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 770 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 770 G C 1.145 176.111 174.900 0.110 0.000 1.115 770 G CA 0.894 46.068 45.100 0.124 0.000 0.757 770 G HN 0.847 nan 8.290 nan 0.000 0.560 771 N N 0.713 119.406 118.700 -0.011 0.000 2.289 771 N HA -0.122 4.618 4.740 0.000 0.000 0.184 771 N C 1.220 176.728 175.510 -0.004 0.000 1.016 771 N CA 1.119 54.161 53.050 -0.013 0.000 0.872 771 N CB -0.109 38.352 38.487 -0.044 0.000 0.973 771 N HN 0.138 nan 8.380 nan 0.000 0.433 772 D N -0.197 120.181 120.400 -0.037 0.000 2.219 772 D HA -0.128 4.512 4.640 0.000 0.000 0.205 772 D C 1.359 177.576 176.300 -0.138 0.000 0.970 772 D CA 0.845 54.778 54.000 -0.112 0.000 0.851 772 D CB -0.319 40.358 40.800 -0.204 0.000 0.943 772 D HN 0.432 nan 8.370 nan 0.000 0.488 773 Y N 1.208 121.490 120.300 -0.030 0.000 2.293 773 Y HA -0.110 4.440 4.550 0.000 0.000 0.291 773 Y C 2.155 178.035 175.900 -0.034 0.000 1.137 773 Y CA 0.809 58.892 58.100 -0.028 0.000 1.202 773 Y CB -0.038 38.400 38.460 -0.036 0.000 0.990 773 Y HN -0.100 nan 8.280 nan 0.000 0.537 774 D N -0.050 120.412 120.400 0.105 0.000 2.117 774 D HA -0.133 4.507 4.640 0.000 0.000 0.198 774 D C 2.229 178.545 176.300 0.026 0.000 0.982 774 D CA 1.087 55.114 54.000 0.044 0.000 0.828 774 D CB -0.378 40.428 40.800 0.010 0.000 0.967 774 D HN 0.284 nan 8.370 nan 0.000 0.464 775 L N 0.199 121.434 121.223 0.020 0.000 2.046 775 L HA -0.165 4.176 4.340 0.000 0.000 0.208 775 L C 2.462 179.379 176.870 0.079 0.000 1.077 775 L CA 0.710 55.595 54.840 0.075 0.000 0.747 775 L CB -0.330 41.792 42.059 0.105 0.000 0.896 775 L HN 0.044 nan 8.230 nan 0.000 0.432 776 M N -0.486 119.099 119.600 -0.024 0.000 2.202 776 M HA -0.161 4.319 4.480 0.000 0.000 0.262 776 M C 2.455 178.697 176.300 -0.097 0.000 1.063 776 M CA 1.840 57.065 55.300 -0.124 0.000 1.097 776 M CB -1.329 31.230 32.600 -0.069 0.000 1.382 776 M HN 0.298 nan 8.290 nan 0.000 0.413 777 A N -0.631 122.202 122.820 0.021 0.000 2.066 777 A HA -0.044 4.276 4.320 0.000 0.000 0.218 777 A C 1.081 178.758 177.584 0.157 0.000 1.157 777 A CA 0.433 52.527 52.037 0.094 0.000 0.670 777 A CB -0.271 18.776 19.000 0.079 0.000 0.804 777 A HN 0.392 nan 8.150 nan 0.000 0.453 778 Q N 1.252 121.135 119.800 0.139 0.000 2.271 778 Q HA 0.196 4.536 4.340 0.000 0.000 0.273 778 Q C -2.342 173.816 176.000 0.263 0.000 1.051 778 Q CA -2.072 53.827 55.803 0.160 0.000 0.901 778 Q CB 0.163 28.929 28.738 0.046 0.000 1.174 778 Q HN 0.390 nan 8.270 nan 0.000 0.385 779 P HA 0.107 nan 4.420 nan 0.000 0.270 779 P C -0.296 177.013 177.300 0.015 0.000 1.223 779 P CA -0.143 62.916 63.100 -0.068 0.000 0.785 779 P CB 0.872 32.288 31.700 -0.472 0.000 0.923 780 I N 1.206 121.718 120.570 -0.097 0.000 2.412 780 I HA 0.258 4.428 4.170 0.000 0.000 0.296 780 I C 0.622 176.696 176.117 -0.070 0.000 0.987 780 I CA -0.199 61.087 61.300 -0.023 0.000 1.180 780 I CB 1.090 38.996 38.000 -0.155 0.000 1.340 780 I HN 0.202 nan 8.210 nan 0.000 0.455 781 T N 7.133 121.726 114.554 0.065 0.000 2.791 781 T HA 0.410 4.760 4.350 0.000 0.000 0.288 781 T C -2.212 172.591 174.700 0.172 0.000 0.999 781 T CA -1.066 61.085 62.100 0.085 0.000 0.952 781 T CB 1.565 70.468 68.868 0.057 0.000 0.938 781 T HN 0.409 nan 8.240 nan 0.000 0.444 782 P HA 0.302 nan 4.420 nan 0.000 0.272 782 P C 0.464 177.830 177.300 0.110 0.000 1.240 782 P CA -0.323 62.903 63.100 0.210 0.000 0.791 782 P CB 0.557 32.375 31.700 0.198 0.000 0.978 783 G N 1.128 109.968 108.800 0.067 0.000 2.616 783 G HA2 0.418 4.378 3.960 0.000 0.000 0.268 783 G HA3 0.418 4.378 3.960 0.000 0.000 0.268 783 G C -2.339 172.582 174.900 0.035 0.000 1.213 783 G CA -1.055 44.072 45.100 0.046 0.000 0.926 783 G HN 0.418 nan 8.290 nan 0.000 0.523 784 P HA 0.190 nan 4.420 nan 0.000 0.274 784 P C 0.512 177.821 177.300 0.015 0.000 1.237 784 P CA -0.280 62.834 63.100 0.024 0.000 0.793 784 P CB 1.612 33.324 31.700 0.020 0.000 0.977 785 S N 0.520 116.229 115.700 0.015 0.000 2.406 785 S HA 0.068 4.538 4.470 0.000 0.000 0.224 785 S C 1.062 175.667 174.600 0.007 0.000 1.030 785 S CA 0.611 58.816 58.200 0.009 0.000 0.958 785 S CB -0.324 62.883 63.200 0.012 0.000 0.811 785 S HN 0.410 nan 8.310 nan 0.000 0.489 786 I N 3.389 123.965 120.570 0.010 0.000 2.336 786 I HA 0.275 4.445 4.170 0.000 0.000 0.292 786 I C -2.396 173.726 176.117 0.008 0.000 0.991 786 I CA -2.608 58.697 61.300 0.008 0.000 1.227 786 I CB 1.135 39.141 38.000 0.009 0.000 1.366 786 I HN -0.050 nan 8.210 nan 0.000 0.466 787 P HA -0.040 nan 4.420 nan 0.000 0.259 787 P C 0.851 178.155 177.300 0.006 0.000 1.163 787 P CA 0.767 63.870 63.100 0.005 0.000 0.760 787 P CB 0.428 32.131 31.700 0.004 0.000 0.762 788 G N 1.789 110.593 108.800 0.006 0.000 2.179 788 G HA2 -0.154 3.806 3.960 0.000 0.000 0.260 788 G HA3 -0.154 3.806 3.960 0.000 0.000 0.260 788 G C 0.345 175.249 174.900 0.006 0.000 0.977 788 G CA 0.076 45.179 45.100 0.005 0.000 0.641 788 G HN 0.905 nan 8.290 nan 0.000 0.533 789 A N 1.107 123.932 122.820 0.008 0.000 2.327 789 A HA 0.752 5.072 4.320 0.000 0.000 0.283 789 A C -0.904 176.686 177.584 0.010 0.000 1.127 789 A CA -0.798 51.245 52.037 0.010 0.000 0.810 789 A CB 0.457 19.464 19.000 0.012 0.000 1.066 789 A HN 0.290 nan 8.150 nan 0.000 0.492 790 P HA 0.013 nan 4.420 nan 0.000 0.267 790 P C -0.400 176.906 177.300 0.011 0.000 1.201 790 P CA -0.071 63.032 63.100 0.007 0.000 0.775 790 P CB 0.295 31.997 31.700 0.003 0.000 0.854 791 Q N 3.166 122.971 119.800 0.008 0.000 2.275 791 Q HA 0.052 4.392 4.340 0.000 0.000 0.293 791 Q C -1.986 174.023 176.000 0.014 0.000 1.129 791 Q CA -0.565 55.246 55.803 0.012 0.000 0.971 791 Q CB -0.863 27.879 28.738 0.006 0.000 1.098 791 Q HN 0.281 nan 8.270 nan 0.000 0.386 792 P HA 0.029 nan 4.420 nan 0.000 0.273 792 P C -0.649 176.664 177.300 0.022 0.000 1.258 792 P CA -0.279 62.843 63.100 0.036 0.000 0.802 792 P CB 0.484 32.222 31.700 0.064 0.000 1.040 793 I N 0.756 121.340 120.570 0.024 0.000 2.662 793 I HA 0.205 4.375 4.170 0.000 0.000 0.291 793 I C -2.020 174.122 176.117 0.042 0.000 1.046 793 I CA -1.931 59.361 61.300 -0.014 0.000 1.361 793 I CB -0.012 37.970 38.000 -0.030 0.000 1.429 793 I HN 0.253 nan 8.210 nan 0.000 0.558 794 P HA 0.235 nan 4.420 nan 0.000 0.275 794 P C -0.169 177.196 177.300 0.108 0.000 1.227 794 P CA -0.300 62.777 63.100 -0.038 0.000 0.781 794 P CB 0.769 32.358 31.700 -0.185 0.000 0.906 795 R N 1.151 121.656 120.500 0.009 0.000 2.412 795 R HA 0.256 4.596 4.340 0.000 0.000 0.212 795 R C -0.157 176.191 176.300 0.079 0.000 0.878 795 R CA 0.040 56.270 56.100 0.216 0.000 1.022 795 R CB -0.089 30.360 30.300 0.249 0.000 1.265 795 R HN 0.321 nan 8.270 nan 0.000 0.620 796 L N 1.502 122.522 121.223 -0.337 0.000 2.298 796 L HA 0.511 4.851 4.340 0.000 0.000 0.284 796 L C -1.256 175.244 176.870 -0.617 0.000 1.013 796 L CA -0.631 53.961 54.840 -0.414 0.000 0.824 796 L CB 0.763 42.416 42.059 -0.677 0.000 1.221 796 L HN -0.207 nan 8.230 nan 0.000 0.418 797 F N 4.468 124.190 119.950 -0.380 0.000 2.556 797 F HA 0.680 5.207 4.527 0.000 0.000 0.327 797 F C -0.560 174.906 175.800 -0.557 0.000 1.059 797 F CA -0.481 57.361 58.000 -0.263 0.000 0.953 797 F CB 1.623 40.579 39.000 -0.074 0.000 1.227 797 F HN 0.193 nan 8.300 nan 0.000 0.478 798 F N 0.818 120.871 119.950 0.172 0.000 2.556 798 F HA 0.773 5.301 4.527 0.000 0.000 0.314 798 F C 0.003 175.833 175.800 0.051 0.000 1.106 798 F CA -0.788 57.266 58.000 0.088 0.000 0.911 798 F CB 1.745 40.765 39.000 0.033 0.000 1.190 798 F HN 0.603 nan 8.300 nan 0.000 0.448 799 A N 1.420 124.349 122.820 0.183 0.000 2.524 799 A HA 1.014 5.335 4.320 0.000 0.000 0.286 799 A C -0.269 177.312 177.584 -0.006 0.000 1.203 799 A CA -0.468 51.608 52.037 0.065 0.000 0.736 799 A CB 1.613 20.645 19.000 0.053 0.000 1.322 799 A HN 1.738 nan 8.150 nan 0.000 0.424 800 G N -0.806 107.967 108.800 -0.046 0.000 2.428 800 G HA2 0.252 4.213 3.960 0.000 0.000 0.681 800 G HA3 0.252 4.213 3.960 0.000 0.000 0.681 800 G C 0.350 175.198 174.900 -0.086 0.000 1.340 800 G CA 0.416 45.505 45.100 -0.018 0.000 0.915 800 G HN 1.240 nan 8.290 nan 0.000 0.645 801 E N 0.185 120.443 120.200 0.098 0.000 2.187 801 E HA -0.282 4.068 4.350 0.000 0.000 0.199 801 E C 1.682 178.401 176.600 0.198 0.000 1.004 801 E CA 2.134 58.607 56.400 0.123 0.000 0.813 801 E CB -0.336 29.471 29.700 0.179 0.000 0.736 801 E HN 0.860 nan 8.360 nan 0.000 0.468 802 H N -0.156 119.042 119.070 0.212 0.000 2.543 802 H HA 0.110 4.666 4.556 0.000 0.000 0.269 802 H C 1.083 176.588 175.328 0.296 0.000 1.005 802 H CA 1.215 57.435 56.048 0.286 0.000 1.146 802 H CB -0.387 29.462 29.762 0.145 0.000 1.353 802 H HN 0.200 nan 8.280 nan 0.000 0.595 803 T N -1.950 112.531 114.554 -0.122 0.000 3.084 803 T HA 0.282 4.632 4.350 0.000 0.000 0.270 803 T C 0.370 175.101 174.700 0.050 0.000 1.008 803 T CA -0.463 61.606 62.100 -0.052 0.000 0.900 803 T CB -0.358 68.410 68.868 -0.166 0.000 1.084 803 T HN 0.267 nan 8.240 nan 0.000 0.538 804 I N 1.812 122.413 120.570 0.052 0.000 2.466 804 I HA 0.465 4.635 4.170 0.000 0.000 0.279 804 I C 1.282 177.285 176.117 -0.190 0.000 1.033 804 I CA -1.269 60.018 61.300 -0.022 0.000 1.123 804 I CB 1.243 39.248 38.000 0.008 0.000 1.237 804 I HN 0.008 nan 8.210 nan 0.000 0.460 805 R N 4.632 125.016 120.500 -0.195 0.000 2.103 805 R HA -0.193 4.147 4.340 0.000 0.000 0.242 805 R C 0.844 176.833 176.300 -0.518 0.000 1.142 805 R CA 2.332 58.215 56.100 -0.362 0.000 0.960 805 R CB 0.042 30.244 30.300 -0.163 0.000 0.858 805 R HN 0.632 nan 8.270 nan 0.000 0.439 806 N N -0.923 117.424 118.700 -0.588 0.000 2.446 806 N HA -0.064 4.676 4.740 0.000 0.000 0.179 806 N C -0.314 174.513 175.510 -1.139 0.000 1.054 806 N CA 0.893 53.287 53.050 -1.093 0.000 0.905 806 N CB 0.380 37.826 38.487 -1.736 0.000 0.973 806 N HN 0.339 nan 8.380 nan 0.000 0.448 807 Y N -0.417 119.711 120.300 -0.287 0.000 2.614 807 Y HA 0.357 4.908 4.550 0.001 0.000 0.296 807 Y C -2.371 173.383 175.900 -0.244 0.000 0.942 807 Y CA -2.044 55.942 58.100 -0.190 0.000 1.111 807 Y CB 0.691 39.126 38.460 -0.042 0.000 1.182 807 Y HN -0.061 nan 8.280 nan 0.000 0.624 808 P HA 0.177 nan 4.420 nan 0.000 0.274 808 P C 0.559 177.800 177.300 -0.099 0.000 1.256 808 P CA 0.568 63.570 63.100 -0.162 0.000 0.795 808 P CB 1.449 32.928 31.700 -0.368 0.000 1.038 809 A N -0.954 121.858 122.820 -0.014 0.000 2.832 809 A HA -0.119 4.201 4.320 0.000 0.000 0.280 809 A C 0.545 177.905 177.584 -0.374 0.000 1.464 809 A CA 1.546 53.506 52.037 -0.128 0.000 0.804 809 A CB -2.854 16.100 19.000 -0.077 0.000 1.020 809 A HN 0.922 nan 8.150 nan 0.000 0.563 810 T N -5.958 108.419 114.554 -0.295 0.000 2.812 810 T HA 0.650 5.001 4.350 0.000 0.000 0.294 810 T C 0.798 175.317 174.700 -0.301 0.000 1.159 810 T CA -0.109 61.770 62.100 -0.369 0.000 1.008 810 T CB 1.407 69.901 68.868 -0.624 0.000 1.289 810 T HN 0.782 nan 8.240 nan 0.000 0.514 811 V N 1.620 121.401 119.914 -0.222 0.000 2.346 811 V HA -0.116 4.004 4.120 0.000 0.000 0.244 811 V C 2.757 178.810 176.094 -0.068 0.000 1.037 811 V CA 2.002 64.227 62.300 -0.126 0.000 1.029 811 V CB -1.288 30.478 31.823 -0.096 0.000 0.663 811 V HN 1.043 nan 8.190 nan 0.000 0.454 812 H N 0.497 119.608 119.070 0.068 0.000 2.422 812 H HA -0.073 4.484 4.556 0.000 0.000 0.298 812 H C 2.336 177.652 175.328 -0.020 0.000 1.098 812 H CA 1.746 57.819 56.048 0.043 0.000 1.315 812 H CB -0.858 28.971 29.762 0.112 0.000 1.382 812 H HN 0.391 nan 8.280 nan 0.000 0.523 813 G N 1.028 109.632 108.800 -0.327 0.000 2.421 813 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 813 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 813 G C 2.064 176.925 174.900 -0.066 0.000 1.171 813 G CA 1.593 46.617 45.100 -0.128 0.000 0.775 813 G HN 0.648 nan 8.290 nan 0.000 0.543 814 A N 0.657 123.433 122.820 -0.074 0.000 1.877 814 A HA 0.061 4.381 4.320 0.000 0.000 0.216 814 A C 2.339 179.911 177.584 -0.019 0.000 1.186 814 A CA 1.461 53.482 52.037 -0.028 0.000 0.620 814 A CB -0.523 18.466 19.000 -0.019 0.000 0.822 814 A HN 0.345 nan 8.150 nan 0.000 0.443 815 L N -0.108 121.106 121.223 -0.016 0.000 2.012 815 L HA -0.165 4.176 4.340 0.000 0.000 0.210 815 L C 2.389 179.229 176.870 -0.050 0.000 1.073 815 L CA 2.076 56.912 54.840 -0.007 0.000 0.748 815 L CB -0.940 41.137 42.059 0.030 0.000 0.891 815 L HN 0.465 nan 8.230 nan 0.000 0.431 816 L N -0.025 121.157 121.223 -0.069 0.000 2.083 816 L HA -0.214 4.126 4.340 0.000 0.000 0.209 816 L C 2.868 179.708 176.870 -0.052 0.000 1.083 816 L CA 1.464 56.245 54.840 -0.099 0.000 0.752 816 L CB -0.628 41.363 42.059 -0.113 0.000 0.899 816 L HN 0.426 nan 8.230 nan 0.000 0.433 817 S N -0.137 115.549 115.700 -0.024 0.000 2.382 817 S HA -0.132 4.338 4.470 0.000 0.000 0.228 817 S C 2.085 176.684 174.600 -0.001 0.000 1.027 817 S CA 1.054 59.251 58.200 -0.004 0.000 0.991 817 S CB -1.031 62.164 63.200 -0.008 0.000 0.823 817 S HN 0.428 nan 8.310 nan 0.000 0.469 818 G N 1.969 110.762 108.800 -0.013 0.000 2.402 818 G HA2 0.003 3.964 3.960 0.000 0.000 0.216 818 G HA3 0.003 3.964 3.960 0.000 0.000 0.216 818 G C 1.490 176.374 174.900 -0.027 0.000 1.162 818 G CA 0.844 45.935 45.100 -0.015 0.000 0.777 818 G HN 0.508 nan 8.290 nan 0.000 0.539 819 L N -0.040 121.155 121.223 -0.046 0.000 2.083 819 L HA -0.075 4.266 4.340 0.000 0.000 0.209 819 L C 2.922 179.778 176.870 -0.024 0.000 1.083 819 L CA 1.392 56.197 54.840 -0.058 0.000 0.752 819 L CB -0.451 41.523 42.059 -0.141 0.000 0.899 819 L HN 0.221 nan 8.230 nan 0.000 0.433 820 R N 0.365 120.859 120.500 -0.010 0.000 2.070 820 R HA -0.168 4.173 4.340 0.000 0.000 0.232 820 R C 2.191 178.513 176.300 0.037 0.000 1.138 820 R CA 1.508 57.624 56.100 0.027 0.000 0.936 820 R CB -0.066 30.260 30.300 0.045 0.000 0.839 820 R HN 0.258 nan 8.270 nan 0.000 0.429 821 E N 0.538 120.761 120.200 0.039 0.000 2.110 821 E HA -0.153 4.197 4.350 0.000 0.000 0.193 821 E C 1.870 178.452 176.600 -0.029 0.000 0.988 821 E CA 1.232 57.654 56.400 0.037 0.000 0.804 821 E CB -0.302 29.432 29.700 0.056 0.000 0.745 821 E HN 0.494 nan 8.360 nan 0.000 0.458 822 A N 1.095 123.908 122.820 -0.013 0.000 1.902 822 A HA -0.094 4.226 4.320 0.000 0.000 0.217 822 A C 2.510 180.166 177.584 0.121 0.000 1.181 822 A CA 1.970 54.021 52.037 0.024 0.000 0.623 822 A CB -1.084 17.920 19.000 0.007 0.000 0.818 822 A HN 0.344 nan 8.150 nan 0.000 0.443 823 G N -0.433 108.407 108.800 0.068 0.000 2.422 823 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 823 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 823 G C 1.723 176.564 174.900 -0.099 0.000 1.146 823 G CA 1.114 46.163 45.100 -0.084 0.000 0.769 823 G HN 0.646 nan 8.290 nan 0.000 0.547 824 R N 0.109 120.594 120.500 -0.026 0.000 2.073 824 R HA 0.108 4.449 4.340 0.000 0.000 0.229 824 R C 2.401 178.706 176.300 0.009 0.000 1.120 824 R CA 1.016 57.137 56.100 0.036 0.000 0.967 824 R CB -0.376 30.010 30.300 0.142 0.000 0.862 824 R HN 0.387 nan 8.270 nan 0.000 0.436 825 I N 1.218 121.714 120.570 -0.123 0.000 2.179 825 I HA -0.212 3.958 4.170 0.000 0.000 0.242 825 I C 2.639 178.805 176.117 0.081 0.000 1.088 825 I CA 1.368 62.561 61.300 -0.178 0.000 1.357 825 I CB -0.429 37.317 38.000 -0.424 0.000 1.051 825 I HN 0.341 nan 8.210 nan 0.000 0.409 826 A N 0.331 123.182 122.820 0.051 0.000 1.940 826 A HA -0.255 4.065 4.320 0.000 0.000 0.219 826 A C 1.941 179.523 177.584 -0.002 0.000 1.176 826 A CA 2.153 54.221 52.037 0.052 0.000 0.631 826 A CB -0.607 18.378 19.000 -0.025 0.000 0.814 826 A HN 0.356 nan 8.150 nan 0.000 0.446 827 D N -1.137 119.242 120.400 -0.036 0.000 2.117 827 D HA -0.125 4.515 4.640 0.000 0.000 0.198 827 D C 2.113 178.380 176.300 -0.054 0.000 0.982 827 D CA 1.634 55.608 54.000 -0.043 0.000 0.828 827 D CB -0.251 40.533 40.800 -0.026 0.000 0.967 827 D HN 0.513 nan 8.370 nan 0.000 0.464 828 Q N -0.448 119.323 119.800 -0.048 0.000 2.046 828 Q HA -0.050 4.290 4.340 0.000 0.000 0.200 828 Q C 1.591 177.375 176.000 -0.360 0.000 0.975 828 Q CA 1.439 57.117 55.803 -0.210 0.000 0.836 828 Q CB -0.363 28.238 28.738 -0.227 0.000 0.896 828 Q HN 0.299 nan 8.270 nan 0.000 0.428 829 F N -1.330 118.618 119.950 -0.003 0.000 2.714 829 F HA 0.230 4.757 4.527 0.000 0.000 0.294 829 F C 1.396 177.191 175.800 -0.008 0.000 1.120 829 F CA 0.215 58.215 58.000 0.000 0.000 1.398 829 F CB 0.430 39.428 39.000 -0.002 0.000 1.120 829 F HN -0.004 nan 8.300 nan 0.000 0.589 830 L N -1.024 120.271 121.223 0.119 0.000 2.609 830 L HA 0.475 4.815 4.340 0.000 0.000 0.230 830 L C 0.901 177.774 176.870 0.003 0.000 1.087 830 L CA 0.228 55.105 54.840 0.061 0.000 0.874 830 L CB -0.227 41.860 42.059 0.046 0.000 1.114 830 L HN 0.139 nan 8.230 nan 0.000 0.488 831 G N 0.885 109.668 108.800 -0.028 0.000 2.758 831 G HA2 0.046 4.006 3.960 0.000 0.000 0.686 831 G HA3 0.046 4.006 3.960 0.000 0.000 0.686 831 G C -0.634 174.215 174.900 -0.084 0.000 1.389 831 G CA -0.449 44.610 45.100 -0.068 0.000 0.845 831 G HN 0.382 nan 8.290 nan 0.000 0.572 832 A N 1.154 123.881 122.820 -0.156 0.000 2.318 832 A HA 0.749 5.069 4.320 0.000 0.000 0.317 832 A C 0.916 178.328 177.584 -0.287 0.000 1.159 832 A CA -0.285 51.592 52.037 -0.267 0.000 0.799 832 A CB 0.993 19.644 19.000 -0.581 0.000 1.194 832 A HN 0.862 nan 8.150 nan 0.000 0.479 833 M N 1.764 121.273 119.600 -0.152 0.000 2.382 833 M HA 0.073 4.553 4.480 0.000 0.000 0.247 833 M C 1.113 177.332 176.300 -0.136 0.000 1.104 833 M CA 0.880 56.099 55.300 -0.135 0.000 1.030 833 M CB -0.967 31.581 32.600 -0.087 0.000 1.424 833 M HN 1.000 nan 8.290 nan 0.000 0.486 834 Y N -0.215 120.006 120.300 -0.132 0.000 2.517 834 Y HA 0.162 4.712 4.550 0.000 0.000 0.281 834 Y C 2.224 177.961 175.900 -0.271 0.000 1.125 834 Y CA 0.985 59.000 58.100 -0.142 0.000 1.283 834 Y CB -1.475 36.969 38.460 -0.027 0.000 1.042 834 Y HN 0.228 nan 8.280 nan 0.000 0.547 835 T N -1.951 112.175 114.554 -0.713 0.000 2.985 835 T HA 0.073 4.423 4.350 0.000 0.000 0.266 835 T C 0.761 175.251 174.700 -0.349 0.000 1.076 835 T CA 0.086 61.842 62.100 -0.574 0.000 1.135 835 T CB -0.480 68.050 68.868 -0.563 0.000 0.890 835 T HN 0.127 nan 8.240 nan 0.000 0.480 836 L N 0.000 121.062 121.223 -0.268 0.000 2.949 836 L HA 0.000 4.340 4.340 0.000 0.000 0.249 836 L CA 0.000 54.737 54.840 -0.171 0.000 0.813 836 L CB 0.000 41.977 42.059 -0.137 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502