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 1n7o_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPVKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK L 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 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.131 176.094 0.061 0.000 1.182 170 V CA 0.000 62.327 62.300 0.045 0.000 1.235 170 V CB 0.000 31.851 31.823 0.046 0.000 1.184 171 K N 3.948 124.378 120.400 0.049 0.000 2.276 171 K HA 0.731 4.927 4.320 -0.207 0.000 0.283 171 K C -0.604 176.029 176.600 0.055 0.000 1.044 171 K CA 0.367 56.685 56.287 0.052 0.000 0.944 171 K CB 1.752 34.272 32.500 0.034 0.000 1.012 171 K HN 1.148 nan 8.250 nan 0.000 0.472 172 D N -1.104 119.333 120.400 0.062 0.000 3.010 172 D HA -0.041 4.475 4.640 -0.207 0.000 0.353 172 D C 0.595 176.892 176.300 -0.006 0.000 1.415 172 D CA -0.629 53.395 54.000 0.040 0.000 0.864 172 D CB 0.064 40.922 40.800 0.097 0.000 1.445 172 D HN 0.202 nan 8.370 nan 0.000 0.516 173 T N -1.823 112.660 114.554 -0.119 0.000 2.915 173 T HA -0.070 4.156 4.350 -0.207 0.000 0.269 173 T C 1.095 175.672 174.700 -0.204 0.000 1.071 173 T CA 1.422 63.409 62.100 -0.190 0.000 1.132 173 T CB -0.570 68.133 68.868 -0.276 0.000 0.878 173 T HN 0.372 nan 8.240 nan 0.000 0.479 174 Y N 1.786 122.093 120.300 0.012 0.000 2.145 174 Y HA -0.082 4.342 4.550 -0.211 0.000 0.286 174 Y C 3.100 179.013 175.900 0.022 0.000 1.145 174 Y CA 1.649 59.755 58.100 0.009 0.000 1.148 174 Y CB -1.219 37.242 38.460 0.002 0.000 0.981 174 Y HN 0.360 nan 8.280 nan 0.000 0.507 175 T N -2.908 111.754 114.554 0.179 0.000 2.951 175 T HA -0.125 4.101 4.350 -0.207 0.000 0.268 175 T C 1.376 176.133 174.700 0.095 0.000 1.073 175 T CA 1.313 63.489 62.100 0.127 0.000 1.134 175 T CB -0.332 68.600 68.868 0.106 0.000 0.884 175 T HN 0.165 nan 8.240 nan 0.000 0.479 176 D N 1.300 121.738 120.400 0.063 0.000 2.117 176 D HA -0.024 4.492 4.640 -0.207 0.000 0.197 176 D C 2.371 178.714 176.300 0.071 0.000 0.987 176 D CA 0.941 54.971 54.000 0.050 0.000 0.829 176 D CB -0.245 40.565 40.800 0.016 0.000 0.961 176 D HN 0.255 nan 8.370 nan 0.000 0.460 177 R N 0.150 120.691 120.500 0.069 0.000 2.092 177 R HA 0.068 4.283 4.340 -0.207 0.000 0.231 177 R C 2.370 178.759 176.300 0.148 0.000 1.119 177 R CA 0.453 56.607 56.100 0.090 0.000 0.970 177 R CB -0.487 29.849 30.300 0.059 0.000 0.864 177 R HN 0.203 nan 8.270 nan 0.000 0.440 178 L N 0.073 121.386 121.223 0.149 0.000 2.141 178 L HA -0.152 4.064 4.340 -0.207 0.000 0.209 178 L C 1.460 178.465 176.870 0.224 0.000 1.094 178 L CA 1.021 55.984 54.840 0.204 0.000 0.763 178 L CB -0.368 41.788 42.059 0.162 0.000 0.908 178 L HN 0.174 nan 8.230 nan 0.000 0.437 179 D N 0.142 120.636 120.400 0.158 0.000 2.097 179 D HA -0.178 4.338 4.640 -0.207 0.000 0.195 179 D C 1.734 178.119 176.300 0.140 0.000 0.989 179 D CA 1.204 55.281 54.000 0.128 0.000 0.827 179 D CB -0.145 40.707 40.800 0.087 0.000 0.966 179 D HN 0.251 nan 8.370 nan 0.000 0.456 180 D N -0.086 120.408 120.400 0.157 0.000 2.123 180 D HA -0.161 4.355 4.640 -0.207 0.000 0.196 180 D C 1.838 178.284 176.300 0.242 0.000 0.992 180 D CA 0.511 54.615 54.000 0.175 0.000 0.833 180 D CB -0.483 40.415 40.800 0.164 0.000 0.954 180 D HN 0.410 nan 8.370 nan 0.000 0.455 181 W N 1.504 122.842 121.300 0.063 0.000 2.338 181 W HA -0.202 4.330 4.660 -0.214 0.000 0.304 181 W C 1.479 178.037 176.519 0.064 0.000 1.212 181 W CA 0.803 58.184 57.345 0.060 0.000 1.264 181 W CB -0.044 29.447 29.460 0.052 0.000 1.142 181 W HN -0.045 nan 8.180 nan 0.000 0.512 182 N N 0.382 119.152 118.700 0.118 0.000 2.223 182 N HA -0.123 4.493 4.740 -0.207 0.000 0.185 182 N C 1.877 177.381 175.510 -0.010 0.000 1.016 182 N CA 1.831 54.885 53.050 0.008 0.000 0.863 182 N CB -1.270 37.269 38.487 0.087 0.000 0.983 182 N HN 0.266 nan 8.380 nan 0.000 0.429 183 G N 0.487 109.319 108.800 0.053 0.000 2.443 183 G HA2 -0.110 3.726 3.960 -0.207 0.000 0.219 183 G HA3 -0.110 3.726 3.960 -0.207 0.000 0.219 183 G C 1.614 176.597 174.900 0.139 0.000 1.131 183 G CA 0.281 45.459 45.100 0.129 0.000 0.775 183 G HN 0.269 nan 8.290 nan 0.000 0.547 184 I N 0.884 121.442 120.570 -0.020 0.000 2.339 184 I HA 0.046 4.092 4.170 -0.207 0.000 0.245 184 I C 2.562 178.510 176.117 -0.282 0.000 1.096 184 I CA 0.679 61.898 61.300 -0.135 0.000 1.408 184 I CB -0.095 37.812 38.000 -0.156 0.000 1.092 184 I HN 0.263 nan 8.210 nan 0.000 0.423 185 I N -1.601 118.681 120.570 -0.480 0.000 2.928 185 I HA 0.110 4.155 4.170 -0.207 0.000 0.266 185 I C 1.881 177.833 176.117 -0.274 0.000 1.234 185 I CA 1.227 62.242 61.300 -0.475 0.000 1.483 185 I CB -0.077 37.498 38.000 -0.709 0.000 1.097 185 I HN 0.086 nan 8.210 nan 0.000 0.455 186 A N 0.812 123.522 122.820 -0.183 0.000 1.773 186 A HA 0.531 4.727 4.320 -0.207 0.000 0.210 186 A C 1.778 179.346 177.584 -0.027 0.000 1.775 186 A CA 0.597 52.552 52.037 -0.136 0.000 1.157 186 A CB -0.274 18.687 19.000 -0.065 0.000 1.119 186 A HN 0.742 nan 8.150 nan 0.000 0.501 187 G N 0.911 109.785 108.800 0.124 0.000 2.198 187 G HA2 -0.290 3.546 3.960 -0.207 0.000 0.257 187 G HA3 -0.290 3.546 3.960 -0.207 0.000 0.257 187 G C 0.493 175.664 174.900 0.452 0.000 1.042 187 G CA 0.693 46.012 45.100 0.366 0.000 0.791 187 G HN 0.365 nan 8.290 nan 0.000 0.502 188 N N 0.657 119.541 118.700 0.306 0.000 2.132 188 N HA -0.165 4.451 4.740 -0.207 0.000 0.191 188 N C 2.545 178.102 175.510 0.079 0.000 1.015 188 N CA 1.790 54.982 53.050 0.238 0.000 0.864 188 N CB -0.205 38.365 38.487 0.139 0.000 1.006 188 N HN 0.854 nan 8.380 nan 0.000 0.430 189 Q N -0.207 119.547 119.800 -0.076 0.000 2.197 189 Q HA -0.178 4.038 4.340 -0.207 0.000 0.207 189 Q C 0.793 176.620 176.000 -0.288 0.000 0.984 189 Q CA 1.420 57.063 55.803 -0.266 0.000 0.869 189 Q CB -0.738 27.710 28.738 -0.483 0.000 0.906 189 Q HN 0.561 nan 8.270 nan 0.000 0.426 190 Y N -0.842 119.514 120.300 0.092 0.000 2.457 190 Y HA 0.178 4.606 4.550 -0.203 0.000 0.263 190 Y C 0.442 176.333 175.900 -0.015 0.000 1.164 190 Y CA -1.144 56.987 58.100 0.052 0.000 1.274 190 Y CB -0.258 38.256 38.460 0.090 0.000 1.097 190 Y HN 0.067 nan 8.280 nan 0.000 0.523 191 Y N 2.457 122.700 120.300 -0.095 0.000 2.526 191 Y HA 0.199 4.626 4.550 -0.205 0.000 0.330 191 Y C -0.213 175.555 175.900 -0.220 0.000 1.156 191 Y CA -0.392 57.487 58.100 -0.369 0.000 1.419 191 Y CB 0.388 38.495 38.460 -0.588 0.000 1.250 191 Y HN 0.040 nan 8.280 nan 0.000 0.540 192 D N 3.497 123.334 120.400 -0.939 0.000 2.542 192 D HA 0.118 4.634 4.640 -0.207 0.000 0.252 192 D C 0.566 176.297 176.300 -0.949 0.000 1.222 192 D CA 0.007 53.614 54.000 -0.656 0.000 0.895 192 D CB 1.338 41.928 40.800 -0.351 0.000 1.207 192 D HN 0.590 nan 8.370 nan 0.000 0.558 193 S N 3.591 118.894 115.700 -0.661 0.000 2.440 193 S HA -0.176 4.169 4.470 -0.207 0.000 0.238 193 S C 1.196 175.650 174.600 -0.244 0.000 1.010 193 S CA 0.799 58.782 58.200 -0.362 0.000 0.972 193 S CB -0.151 63.012 63.200 -0.062 0.000 0.774 193 S HN 0.505 nan 8.310 nan 0.000 0.501 194 K N 1.265 121.528 120.400 -0.230 0.000 2.444 194 K HA 0.161 4.356 4.320 -0.207 0.000 0.193 194 K C 0.329 176.827 176.600 -0.169 0.000 1.024 194 K CA -0.057 56.136 56.287 -0.158 0.000 1.077 194 K CB -0.209 32.217 32.500 -0.123 0.000 0.833 194 K HN 0.337 nan 8.250 nan 0.000 0.517 195 N N 2.178 120.736 118.700 -0.237 0.000 2.420 195 N HA -0.007 4.609 4.740 -0.207 0.000 0.249 195 N C -0.199 175.198 175.510 -0.190 0.000 1.033 195 N CA 0.133 53.056 53.050 -0.212 0.000 0.944 195 N CB 1.259 39.598 38.487 -0.246 0.000 1.113 195 N HN -0.072 nan 8.380 nan 0.000 0.502 196 D N 1.980 122.285 120.400 -0.158 0.000 2.117 196 D HA -0.148 4.368 4.640 -0.207 0.000 0.197 196 D C 1.471 177.691 176.300 -0.134 0.000 0.987 196 D CA 1.384 55.305 54.000 -0.131 0.000 0.829 196 D CB 0.357 41.082 40.800 -0.126 0.000 0.961 196 D HN 0.580 nan 8.370 nan 0.000 0.460 197 Q N -0.302 119.373 119.800 -0.210 0.000 2.079 197 Q HA -0.010 4.206 4.340 -0.207 0.000 0.200 197 Q C 2.349 178.329 176.000 -0.033 0.000 0.974 197 Q CA 0.782 56.450 55.803 -0.224 0.000 0.840 197 Q CB -0.315 28.091 28.738 -0.554 0.000 0.898 197 Q HN 0.435 nan 8.270 nan 0.000 0.430 198 M N -0.077 119.514 119.600 -0.016 0.000 2.117 198 M HA -0.129 4.227 4.480 -0.207 0.000 0.262 198 M C 2.227 178.677 176.300 0.251 0.000 1.065 198 M CA 1.572 56.964 55.300 0.153 0.000 1.114 198 M CB -0.433 32.103 32.600 -0.106 0.000 1.361 198 M HN 0.142 nan 8.290 nan 0.000 0.408 199 A N 0.168 123.035 122.820 0.079 0.000 2.019 199 A HA -0.185 4.011 4.320 -0.207 0.000 0.219 199 A C 2.141 179.813 177.584 0.146 0.000 1.164 199 A CA 1.753 53.890 52.037 0.166 0.000 0.644 199 A CB -0.584 18.443 19.000 0.045 0.000 0.805 199 A HN 0.451 nan 8.150 nan 0.000 0.449 200 K N -0.790 119.665 120.400 0.091 0.000 2.057 200 K HA -0.096 4.100 4.320 -0.207 0.000 0.206 200 K C 1.879 178.542 176.600 0.104 0.000 1.050 200 K CA 1.367 57.694 56.287 0.067 0.000 0.935 200 K CB -0.241 32.272 32.500 0.021 0.000 0.715 200 K HN 0.359 nan 8.250 nan 0.000 0.439 201 L N 2.011 123.333 121.223 0.166 0.000 2.056 201 L HA -0.155 4.061 4.340 -0.207 0.000 0.207 201 L C 1.923 178.906 176.870 0.189 0.000 1.078 201 L CA 1.767 56.705 54.840 0.164 0.000 0.749 201 L CB -0.905 41.268 42.059 0.190 0.000 0.901 201 L HN 0.310 nan 8.230 nan 0.000 0.433 202 N N -0.939 117.942 118.700 0.302 0.000 2.069 202 N HA -0.286 4.330 4.740 -0.207 0.000 0.191 202 N C 1.913 177.481 175.510 0.096 0.000 1.031 202 N CA 1.481 54.640 53.050 0.182 0.000 0.852 202 N CB 0.005 38.517 38.487 0.041 0.000 1.018 202 N HN 0.417 nan 8.380 nan 0.000 0.423 203 Q N 1.394 121.250 119.800 0.093 0.000 2.124 203 Q HA -0.141 4.075 4.340 -0.207 0.000 0.202 203 Q C 1.795 177.827 176.000 0.054 0.000 0.977 203 Q CA 1.515 57.355 55.803 0.061 0.000 0.850 203 Q CB -0.306 28.461 28.738 0.049 0.000 0.901 203 Q HN 0.493 nan 8.270 nan 0.000 0.429 204 E N -0.584 119.647 120.200 0.052 0.000 2.058 204 E HA -0.204 4.022 4.350 -0.207 0.000 0.194 204 E C 1.780 178.397 176.600 0.028 0.000 0.997 204 E CA 1.217 57.636 56.400 0.032 0.000 0.801 204 E CB -0.180 29.535 29.700 0.024 0.000 0.746 204 E HN 0.411 nan 8.360 nan 0.000 0.450 205 L N 0.848 122.093 121.223 0.036 0.000 2.093 205 L HA -0.154 4.062 4.340 -0.207 0.000 0.208 205 L C 2.634 179.545 176.870 0.068 0.000 1.085 205 L CA 0.877 55.734 54.840 0.029 0.000 0.755 205 L CB -0.347 41.728 42.059 0.027 0.000 0.904 205 L HN 0.142 nan 8.230 nan 0.000 0.435 206 E N 0.240 120.504 120.200 0.106 0.000 2.058 206 E HA -0.189 4.037 4.350 -0.207 0.000 0.194 206 E C 2.180 178.890 176.600 0.185 0.000 0.997 206 E CA 1.545 58.064 56.400 0.198 0.000 0.801 206 E CB -0.430 29.339 29.700 0.116 0.000 0.746 206 E HN 0.531 nan 8.360 nan 0.000 0.450 207 G N 1.269 110.126 108.800 0.095 0.000 2.403 207 G HA2 -0.230 3.606 3.960 -0.207 0.000 0.216 207 G HA3 -0.230 3.606 3.960 -0.207 0.000 0.216 207 G C 1.620 176.540 174.900 0.034 0.000 1.154 207 G CA 0.542 45.683 45.100 0.068 0.000 0.784 207 G HN 0.201 nan 8.290 nan 0.000 0.538 208 K N -0.007 120.397 120.400 0.006 0.000 2.026 208 K HA -0.030 4.166 4.320 -0.207 0.000 0.208 208 K C 2.555 179.110 176.600 -0.074 0.000 1.048 208 K CA 1.161 57.421 56.287 -0.044 0.000 0.929 208 K CB -0.305 32.157 32.500 -0.063 0.000 0.713 208 K HN 0.190 nan 8.250 nan 0.000 0.439 209 V N 1.294 121.162 119.914 -0.078 0.000 2.358 209 V HA -0.241 3.755 4.120 -0.207 0.000 0.246 209 V C 2.325 178.302 176.094 -0.196 0.000 1.047 209 V CA 1.966 64.144 62.300 -0.203 0.000 1.035 209 V CB -0.645 30.962 31.823 -0.360 0.000 0.658 209 V HN 0.364 nan 8.190 nan 0.000 0.452 210 A N 0.045 122.849 122.820 -0.027 0.000 1.908 210 A HA -0.264 3.932 4.320 -0.207 0.000 0.218 210 A C 1.991 179.601 177.584 0.045 0.000 1.181 210 A CA 2.133 54.219 52.037 0.082 0.000 0.627 210 A CB -0.629 18.478 19.000 0.179 0.000 0.818 210 A HN 0.540 nan 8.150 nan 0.000 0.445 211 D N -0.252 120.163 120.400 0.025 0.000 2.144 211 D HA -0.060 4.456 4.640 -0.207 0.000 0.200 211 D C 2.285 178.618 176.300 0.056 0.000 0.978 211 D CA 1.484 55.501 54.000 0.028 0.000 0.833 211 D CB -0.356 40.443 40.800 -0.001 0.000 0.961 211 D HN 0.377 nan 8.370 nan 0.000 0.470 212 S N 0.326 116.034 115.700 0.014 0.000 2.368 212 S HA -0.046 4.300 4.470 -0.207 0.000 0.224 212 S C 2.183 176.995 174.600 0.355 0.000 1.029 212 S CA 0.508 58.784 58.200 0.127 0.000 0.988 212 S CB -0.164 62.994 63.200 -0.070 0.000 0.838 212 S HN 0.234 nan 8.310 nan 0.000 0.462 213 L N 1.716 123.020 121.223 0.135 0.000 2.141 213 L HA -0.075 4.141 4.340 -0.207 0.000 0.209 213 L C 2.602 179.521 176.870 0.083 0.000 1.094 213 L CA 1.303 56.194 54.840 0.086 0.000 0.763 213 L CB -0.634 41.417 42.059 -0.013 0.000 0.908 213 L HN 0.412 nan 8.230 nan 0.000 0.437 214 S N -2.522 113.234 115.700 0.093 0.000 2.461 214 S HA -0.035 4.310 4.470 -0.207 0.000 0.228 214 S C 1.883 176.531 174.600 0.080 0.000 1.005 214 S CA 0.870 59.111 58.200 0.070 0.000 0.942 214 S CB 0.128 63.366 63.200 0.063 0.000 0.776 214 S HN 0.244 nan 8.310 nan 0.000 0.514 215 S N 0.486 116.283 115.700 0.161 0.000 2.497 215 S HA 0.409 4.754 4.470 -0.207 0.000 0.218 215 S C 0.596 175.255 174.600 0.099 0.000 1.023 215 S CA -0.521 57.802 58.200 0.205 0.000 0.913 215 S CB -0.198 63.234 63.200 0.387 0.000 0.800 215 S HN 0.620 nan 8.310 nan 0.000 0.505 216 I N 2.502 123.060 120.570 -0.020 0.000 2.692 216 I HA 0.057 4.103 4.170 -0.207 0.000 0.284 216 I C -0.389 175.477 176.117 -0.419 0.000 1.159 216 I CA 0.013 60.967 61.300 -0.578 0.000 1.423 216 I CB 0.836 38.474 38.000 -0.604 0.000 1.380 216 I HN 0.032 nan 8.210 nan 0.000 0.580 217 S N 5.765 121.154 115.700 -0.518 0.000 2.505 217 S HA 0.151 4.497 4.470 -0.207 0.000 0.276 217 S C -0.077 174.275 174.600 -0.413 0.000 1.274 217 S CA -0.427 57.529 58.200 -0.406 0.000 1.053 217 S CB 1.062 63.964 63.200 -0.497 0.000 0.919 217 S HN 0.728 nan 8.310 nan 0.000 0.490 218 S N 2.107 117.633 115.700 -0.290 0.000 2.753 218 S HA 0.586 4.932 4.470 -0.207 0.000 0.302 218 S C -0.505 173.971 174.600 -0.207 0.000 1.104 218 S CA -0.462 57.596 58.200 -0.236 0.000 0.968 218 S CB 0.562 63.664 63.200 -0.163 0.000 1.278 218 S HN 0.815 nan 8.310 nan 0.000 0.549 219 Q N -1.022 118.689 119.800 -0.149 0.000 3.245 219 Q HA -0.182 4.034 4.340 -0.207 0.000 0.024 219 Q C 0.208 176.134 176.000 -0.123 0.000 1.716 219 Q CA 0.662 56.395 55.803 -0.117 0.000 0.236 219 Q CB -0.912 27.762 28.738 -0.107 0.000 0.624 219 Q HN 2.165 nan 8.270 nan 0.000 0.322 220 A N 1.585 124.359 122.820 -0.077 0.000 2.799 220 A HA -0.368 3.828 4.320 -0.207 0.000 0.274 220 A C 0.877 178.444 177.584 -0.028 0.000 1.393 220 A CA 2.261 54.270 52.037 -0.047 0.000 0.909 220 A CB -1.441 17.524 19.000 -0.057 0.000 1.012 220 A HN 1.107 nan 8.150 nan 0.000 0.653 221 D N -2.112 118.259 120.400 -0.048 0.000 4.429 221 D HA -0.343 4.173 4.640 -0.207 0.000 0.235 221 D C 0.916 177.099 176.300 -0.195 0.000 1.091 221 D CA 3.005 56.962 54.000 -0.072 0.000 2.197 221 D CB -0.554 40.254 40.800 0.014 0.000 1.181 221 D HN 1.401 nan 8.370 nan 0.000 0.415 222 R N -1.076 119.283 120.500 -0.235 0.000 4.091 222 R HA 0.443 4.659 4.340 -0.207 0.000 0.252 222 R C 0.556 176.679 176.300 -0.294 0.000 0.962 222 R CA 0.317 56.162 56.100 -0.426 0.000 0.763 222 R CB 0.296 30.149 30.300 -0.745 0.000 1.819 222 R HN 0.351 nan 8.270 nan 0.000 0.382 223 I N -3.728 116.555 120.570 -0.477 0.000 5.492 223 I HA 0.295 4.340 4.170 -0.207 0.000 0.361 223 I C -0.555 175.505 176.117 -0.095 0.000 1.039 223 I CA -0.214 61.002 61.300 -0.140 0.000 1.680 223 I CB -0.316 37.556 38.000 -0.214 0.000 2.252 223 I HN 0.603 nan 8.210 nan 0.000 0.758 224 Y N -0.222 119.916 120.300 -0.270 0.000 2.638 224 Y HA 0.850 5.275 4.550 -0.208 0.000 0.339 224 Y C 0.289 175.777 175.900 -0.686 0.000 1.084 224 Y CA -1.640 56.269 58.100 -0.319 0.000 1.068 224 Y CB 0.512 38.943 38.460 -0.048 0.000 1.294 224 Y HN -0.149 nan 8.280 nan 0.000 0.480 225 L N -0.661 120.374 121.223 -0.314 0.000 2.130 225 L HA 0.160 4.375 4.340 -0.207 0.000 0.200 225 L C -0.085 176.448 176.870 -0.561 0.000 1.075 225 L CA 0.700 55.161 54.840 -0.631 0.000 0.768 225 L CB 0.259 41.907 42.059 -0.684 0.000 0.933 225 L HN 0.480 nan 8.230 nan 0.000 0.451 226 W N 0.426 121.784 121.300 0.096 0.000 2.683 226 W HA 0.213 4.747 4.660 -0.211 0.000 0.329 226 W C 0.932 177.341 176.519 -0.183 0.000 1.037 226 W CA -0.628 56.752 57.345 0.058 0.000 1.232 226 W CB 1.484 31.019 29.460 0.125 0.000 1.390 226 W HN 0.045 nan 8.180 nan 0.000 0.465 227 E N 2.840 122.986 120.200 -0.090 0.000 2.118 227 E HA -0.217 4.009 4.350 -0.207 0.000 0.195 227 E C 1.930 178.309 176.600 -0.368 0.000 0.992 227 E CA 1.501 57.590 56.400 -0.518 0.000 0.804 227 E CB 0.255 29.861 29.700 -0.157 0.000 0.741 227 E HN 0.433 nan 8.360 nan 0.000 0.458 228 K N -0.473 119.753 120.400 -0.289 0.000 2.280 228 K HA -0.128 4.067 4.320 -0.207 0.000 0.202 228 K C 0.387 176.535 176.600 -0.754 0.000 1.047 228 K CA 0.853 56.806 56.287 -0.556 0.000 0.942 228 K CB -0.224 31.830 32.500 -0.742 0.000 0.739 228 K HN 0.059 nan 8.250 nan 0.000 0.457 229 F N 1.794 121.717 119.950 -0.045 0.000 2.577 229 F HA 0.227 4.630 4.527 -0.206 0.000 0.342 229 F C 0.931 176.714 175.800 -0.028 0.000 1.479 229 F CA -0.753 57.236 58.000 -0.019 0.000 1.110 229 F CB 1.053 40.063 39.000 0.018 0.000 1.306 229 F HN 0.043 nan 8.300 nan 0.000 0.554 230 S N -1.845 113.834 115.700 -0.036 0.000 2.506 230 S HA 0.100 4.446 4.470 -0.207 0.000 0.219 230 S C 0.571 175.213 174.600 0.069 0.000 1.031 230 S CA -0.157 57.962 58.200 -0.134 0.000 0.911 230 S CB -0.085 62.707 63.200 -0.681 0.000 0.812 230 S HN 0.263 nan 8.310 nan 0.000 0.497 231 N N 1.772 120.519 118.700 0.079 0.000 2.439 231 N HA 0.140 4.756 4.740 -0.207 0.000 0.243 231 N C 0.130 175.748 175.510 0.181 0.000 1.088 231 N CA -0.812 52.313 53.050 0.125 0.000 0.940 231 N CB 0.332 38.856 38.487 0.061 0.000 1.180 231 N HN 0.534 nan 8.380 nan 0.000 0.505 232 Y N 3.286 123.665 120.300 0.132 0.000 2.578 232 Y HA 0.251 4.678 4.550 -0.205 0.000 0.297 232 Y C 0.896 176.889 175.900 0.157 0.000 1.176 232 Y CA 0.650 58.840 58.100 0.149 0.000 1.315 232 Y CB 0.201 38.770 38.460 0.181 0.000 1.031 232 Y HN 0.368 nan 8.280 nan 0.000 0.524 233 K N 0.166 120.417 120.400 -0.249 0.000 2.296 233 K HA 0.060 4.256 4.320 -0.207 0.000 0.200 233 K C 0.192 176.778 176.600 -0.023 0.000 1.048 233 K CA 0.767 56.923 56.287 -0.218 0.000 0.966 233 K CB 0.005 32.396 32.500 -0.182 0.000 0.754 233 K HN 0.125 nan 8.250 nan 0.000 0.466 234 T N 1.979 116.551 114.554 0.030 0.000 2.782 234 T HA 0.028 4.254 4.350 -0.207 0.000 0.298 234 T C 1.165 175.923 174.700 0.097 0.000 0.944 234 T CA -0.235 61.904 62.100 0.064 0.000 1.001 234 T CB 1.143 70.049 68.868 0.063 0.000 0.932 234 T HN 0.210 nan 8.240 nan 0.000 0.524 235 S N 2.933 118.701 115.700 0.114 0.000 2.447 235 S HA -0.087 4.259 4.470 -0.207 0.000 0.233 235 S C 2.408 177.034 174.600 0.044 0.000 1.006 235 S CA 0.506 58.779 58.200 0.122 0.000 0.957 235 S CB -0.310 63.035 63.200 0.241 0.000 0.773 235 S HN 0.719 nan 8.310 nan 0.000 0.507 236 A N 2.893 125.744 122.820 0.051 0.000 2.024 236 A HA -0.132 4.064 4.320 -0.207 0.000 0.220 236 A C 2.066 179.657 177.584 0.011 0.000 1.164 236 A CA 1.604 53.657 52.037 0.027 0.000 0.643 236 A CB -0.750 18.268 19.000 0.030 0.000 0.806 236 A HN 0.584 nan 8.150 nan 0.000 0.451 237 N N -0.307 118.437 118.700 0.073 0.000 2.331 237 N HA -0.064 4.552 4.740 -0.207 0.000 0.180 237 N C 1.371 176.895 175.510 0.025 0.000 1.019 237 N CA 0.940 54.055 53.050 0.109 0.000 0.881 237 N CB -0.377 38.237 38.487 0.213 0.000 0.972 237 N HN 0.365 nan 8.380 nan 0.000 0.435 238 L N 0.886 122.112 121.223 0.003 0.000 1.994 238 L HA -0.137 4.079 4.340 -0.207 0.000 0.208 238 L C 2.625 179.475 176.870 -0.034 0.000 1.071 238 L CA 1.680 56.496 54.840 -0.040 0.000 0.745 238 L CB -1.429 40.511 42.059 -0.198 0.000 0.892 238 L HN 0.295 nan 8.230 nan 0.000 0.431 239 T N -3.285 111.211 114.554 -0.097 0.000 2.821 239 T HA -0.129 4.097 4.350 -0.207 0.000 0.267 239 T C 1.923 176.531 174.700 -0.154 0.000 1.046 239 T CA 0.970 63.013 62.100 -0.096 0.000 1.139 239 T CB -0.644 68.184 68.868 -0.066 0.000 0.871 239 T HN 0.242 nan 8.240 nan 0.000 0.454 240 A N 1.493 124.134 122.820 -0.298 0.000 1.930 240 A HA 0.004 4.200 4.320 -0.207 0.000 0.217 240 A C 2.600 179.809 177.584 -0.626 0.000 1.175 240 A CA 1.970 53.633 52.037 -0.622 0.000 0.627 240 A CB -1.402 16.864 19.000 -1.224 0.000 0.815 240 A HN 0.551 nan 8.150 nan 0.000 0.443 241 T N -1.177 113.139 114.554 -0.396 0.000 2.674 241 T HA -0.142 4.084 4.350 -0.207 0.000 0.265 241 T C 1.724 176.318 174.700 -0.175 0.000 1.039 241 T CA 1.801 63.774 62.100 -0.212 0.000 1.150 241 T CB -0.470 68.359 68.868 -0.065 0.000 0.864 241 T HN 0.529 nan 8.240 nan 0.000 0.427 242 Y N 1.480 121.710 120.300 -0.118 0.000 2.333 242 Y HA -0.021 4.403 4.550 -0.210 0.000 0.290 242 Y C 2.617 178.435 175.900 -0.138 0.000 1.144 242 Y CA 0.756 58.795 58.100 -0.101 0.000 1.228 242 Y CB -0.274 38.104 38.460 -0.137 0.000 0.985 242 Y HN 0.082 nan 8.280 nan 0.000 0.542 243 R N 0.077 120.542 120.500 -0.060 0.000 2.092 243 R HA -0.130 4.085 4.340 -0.207 0.000 0.231 243 R C 2.104 178.300 176.300 -0.173 0.000 1.119 243 R CA 1.204 57.232 56.100 -0.121 0.000 0.970 243 R CB -0.181 30.019 30.300 -0.166 0.000 0.864 243 R HN 0.309 nan 8.270 nan 0.000 0.440 244 K N 0.633 120.859 120.400 -0.291 0.000 2.103 244 K HA -0.134 4.062 4.320 -0.207 0.000 0.207 244 K C 2.056 178.549 176.600 -0.178 0.000 1.048 244 K CA 1.228 57.294 56.287 -0.370 0.000 0.930 244 K CB -0.126 31.875 32.500 -0.830 0.000 0.716 244 K HN 0.181 nan 8.250 nan 0.000 0.444 245 L N 0.529 121.718 121.223 -0.056 0.000 2.109 245 L HA -0.135 4.081 4.340 -0.207 0.000 0.207 245 L C 2.554 179.439 176.870 0.025 0.000 1.086 245 L CA 1.066 55.931 54.840 0.042 0.000 0.760 245 L CB -0.443 41.686 42.059 0.117 0.000 0.910 245 L HN 0.271 nan 8.230 nan 0.000 0.437 246 E N 0.784 120.990 120.200 0.010 0.000 2.118 246 E HA -0.258 3.968 4.350 -0.207 0.000 0.195 246 E C 1.936 178.522 176.600 -0.023 0.000 0.992 246 E CA 1.400 57.801 56.400 0.002 0.000 0.804 246 E CB 0.123 29.814 29.700 -0.016 0.000 0.741 246 E HN 0.524 nan 8.360 nan 0.000 0.458 247 E N -0.079 120.086 120.200 -0.057 0.000 2.072 247 E HA -0.181 4.045 4.350 -0.207 0.000 0.191 247 E C 2.185 178.754 176.600 -0.050 0.000 0.985 247 E CA 1.308 57.668 56.400 -0.067 0.000 0.801 247 E CB -0.065 29.573 29.700 -0.104 0.000 0.750 247 E HN 0.353 nan 8.360 nan 0.000 0.452 248 M N 0.424 119.990 119.600 -0.057 0.000 2.108 248 M HA -0.178 4.178 4.480 -0.207 0.000 0.261 248 M C 2.511 178.805 176.300 -0.011 0.000 1.066 248 M CA 1.511 56.775 55.300 -0.060 0.000 1.107 248 M CB -0.273 32.294 32.600 -0.055 0.000 1.356 248 M HN 0.137 nan 8.290 nan 0.000 0.406 249 A N 0.484 123.316 122.820 0.020 0.000 1.933 249 A HA -0.176 4.020 4.320 -0.207 0.000 0.218 249 A C 2.100 179.726 177.584 0.070 0.000 1.175 249 A CA 1.697 53.769 52.037 0.059 0.000 0.628 249 A CB -0.526 18.527 19.000 0.089 0.000 0.814 249 A HN 0.433 nan 8.150 nan 0.000 0.444 250 K N -0.800 119.625 120.400 0.043 0.000 2.063 250 K HA -0.163 4.033 4.320 -0.207 0.000 0.208 250 K C 2.255 178.904 176.600 0.082 0.000 1.048 250 K CA 1.533 57.848 56.287 0.047 0.000 0.928 250 K CB -0.120 32.380 32.500 0.001 0.000 0.713 250 K HN 0.407 nan 8.250 nan 0.000 0.442 251 Q N 0.218 120.066 119.800 0.080 0.000 2.137 251 Q HA -0.034 4.182 4.340 -0.207 0.000 0.198 251 Q C 2.177 178.287 176.000 0.182 0.000 0.960 251 Q CA 0.672 56.554 55.803 0.131 0.000 0.847 251 Q CB -0.332 28.507 28.738 0.169 0.000 0.915 251 Q HN 0.105 nan 8.270 nan 0.000 0.448 252 V N 1.911 121.905 119.914 0.133 0.000 2.867 252 V HA -0.150 3.846 4.120 -0.207 0.000 0.260 252 V C 1.721 177.936 176.094 0.202 0.000 1.099 252 V CA 2.149 64.516 62.300 0.111 0.000 1.122 252 V CB -0.342 31.457 31.823 -0.040 0.000 0.708 252 V HN 0.556 nan 8.190 nan 0.000 0.490 253 T N -3.575 111.128 114.554 0.249 0.000 3.085 253 T HA 0.148 4.374 4.350 -0.207 0.000 0.264 253 T C 0.523 175.412 174.700 0.315 0.000 1.019 253 T CA -0.094 62.200 62.100 0.324 0.000 0.910 253 T CB -0.637 68.374 68.868 0.238 0.000 1.059 253 T HN 0.502 nan 8.240 nan 0.000 0.542 254 N N 1.895 120.741 118.700 0.243 0.000 2.485 254 N HA 0.283 4.899 4.740 -0.207 0.000 0.243 254 N C -2.113 173.241 175.510 -0.260 0.000 0.987 254 N CA -2.310 50.745 53.050 0.007 0.000 0.940 254 N CB 1.648 40.110 38.487 -0.041 0.000 1.122 254 N HN -0.137 nan 8.380 nan 0.000 0.509 255 P HA -0.112 nan 4.420 nan 0.000 0.218 255 P C 0.428 177.382 177.300 -0.576 0.000 1.146 255 P CA 1.159 63.523 63.100 -1.227 0.000 0.813 255 P CB 0.314 31.585 31.700 -0.714 0.000 0.778 256 S N -1.839 113.662 115.700 -0.332 0.000 2.558 256 S HA 0.044 4.390 4.470 -0.207 0.000 0.217 256 S C 1.010 175.506 174.600 -0.173 0.000 0.975 256 S CA -0.034 58.050 58.200 -0.194 0.000 0.912 256 S CB -0.415 62.731 63.200 -0.090 0.000 0.776 256 S HN 0.133 nan 8.310 nan 0.000 0.526 257 S N 1.828 117.433 115.700 -0.158 0.000 2.565 257 S HA 0.121 4.467 4.470 -0.207 0.000 0.276 257 S C 1.458 176.019 174.600 -0.066 0.000 1.326 257 S CA -0.740 57.414 58.200 -0.075 0.000 1.045 257 S CB 0.592 63.819 63.200 0.044 0.000 0.918 257 S HN 0.546 nan 8.310 nan 0.000 0.505 258 R N 2.671 123.051 120.500 -0.201 0.000 2.237 258 R HA -0.075 4.140 4.340 -0.207 0.000 0.219 258 R C 0.367 176.469 176.300 -0.330 0.000 1.080 258 R CA 1.544 57.462 56.100 -0.304 0.000 0.995 258 R CB -0.521 29.512 30.300 -0.446 0.000 0.875 258 R HN 0.729 nan 8.270 nan 0.000 0.462 259 Y N -0.441 119.890 120.300 0.050 0.000 2.466 259 Y HA 0.110 4.534 4.550 -0.211 0.000 0.272 259 Y C 0.149 176.098 175.900 0.082 0.000 1.169 259 Y CA -1.303 56.824 58.100 0.044 0.000 1.285 259 Y CB -0.566 37.907 38.460 0.022 0.000 1.078 259 Y HN -0.002 nan 8.280 nan 0.000 0.523 260 Y N 2.966 123.302 120.300 0.060 0.000 2.802 260 Y HA -0.081 4.355 4.550 -0.191 0.000 0.333 260 Y C 0.992 176.925 175.900 0.055 0.000 1.244 260 Y CA -0.104 58.027 58.100 0.052 0.000 1.558 260 Y CB -0.166 38.308 38.460 0.023 0.000 1.233 260 Y HN 0.409 nan 8.280 nan 0.000 0.547 261 Q N 1.987 121.597 119.800 -0.317 0.000 2.461 261 Q HA -0.365 3.851 4.340 -0.207 0.000 0.264 261 Q C -0.366 175.555 176.000 -0.132 0.000 1.085 261 Q CA 1.251 56.877 55.803 -0.296 0.000 1.006 261 Q CB -1.153 27.299 28.738 -0.477 0.000 1.437 261 Q HN 0.809 nan 8.270 nan 0.000 0.514 262 D N 0.724 121.092 120.400 -0.052 0.000 2.417 262 D HA -0.002 4.514 4.640 -0.207 0.000 0.250 262 D C 1.171 177.441 176.300 -0.050 0.000 1.166 262 D CA 0.628 54.627 54.000 -0.002 0.000 0.881 262 D CB 0.844 41.708 40.800 0.106 0.000 1.164 262 D HN 0.337 nan 8.370 nan 0.000 0.467 263 E N 1.955 122.133 120.200 -0.036 0.000 2.110 263 E HA -0.178 4.048 4.350 -0.207 0.000 0.193 263 E C 1.498 178.065 176.600 -0.054 0.000 0.988 263 E CA 1.408 57.778 56.400 -0.051 0.000 0.804 263 E CB -0.326 29.358 29.700 -0.027 0.000 0.745 263 E HN 0.369 nan 8.360 nan 0.000 0.458 264 T N 0.416 114.953 114.554 -0.028 0.000 2.746 264 T HA -0.095 4.131 4.350 -0.207 0.000 0.267 264 T C 1.938 176.606 174.700 -0.053 0.000 1.039 264 T CA 1.461 63.542 62.100 -0.030 0.000 1.142 264 T CB -0.287 68.579 68.868 -0.003 0.000 0.866 264 T HN 0.062 nan 8.240 nan 0.000 0.444 265 V N 1.225 121.107 119.914 -0.053 0.000 2.307 265 V HA -0.132 3.864 4.120 -0.207 0.000 0.245 265 V C 2.662 178.680 176.094 -0.126 0.000 1.045 265 V CA 1.224 63.473 62.300 -0.086 0.000 1.024 265 V CB -0.753 31.023 31.823 -0.078 0.000 0.651 265 V HN 0.302 nan 8.190 nan 0.000 0.449 266 V N 0.286 120.084 119.914 -0.193 0.000 2.287 266 V HA -0.297 3.699 4.120 -0.207 0.000 0.248 266 V C 2.586 178.560 176.094 -0.201 0.000 1.053 266 V CA 2.567 64.683 62.300 -0.306 0.000 1.027 266 V CB -0.818 30.726 31.823 -0.464 0.000 0.646 266 V HN 0.517 nan 8.190 nan 0.000 0.447 267 R N -0.342 120.076 120.500 -0.136 0.000 2.115 267 R HA -0.149 4.066 4.340 -0.207 0.000 0.230 267 R C 2.289 178.550 176.300 -0.065 0.000 1.111 267 R CA 1.911 57.956 56.100 -0.090 0.000 0.976 267 R CB -0.393 29.868 30.300 -0.064 0.000 0.870 267 R HN 0.538 nan 8.270 nan 0.000 0.445 268 T N 0.480 114.994 114.554 -0.065 0.000 2.746 268 T HA -0.088 4.138 4.350 -0.207 0.000 0.267 268 T C 1.818 176.508 174.700 -0.017 0.000 1.039 268 T CA 1.477 63.546 62.100 -0.052 0.000 1.142 268 T CB -0.097 68.740 68.868 -0.052 0.000 0.866 268 T HN 0.043 nan 8.240 nan 0.000 0.444 269 V N 1.448 121.358 119.914 -0.006 0.000 2.295 269 V HA -0.177 3.819 4.120 -0.207 0.000 0.246 269 V C 2.598 178.761 176.094 0.115 0.000 1.049 269 V CA 1.644 63.983 62.300 0.066 0.000 1.024 269 V CB -0.574 31.300 31.823 0.086 0.000 0.648 269 V HN 0.375 nan 8.190 nan 0.000 0.447 270 R N 0.023 120.549 120.500 0.043 0.000 2.073 270 R HA -0.170 4.046 4.340 -0.207 0.000 0.234 270 R C 2.122 178.488 176.300 0.109 0.000 1.134 270 R CA 1.880 58.019 56.100 0.065 0.000 0.952 270 R CB -0.501 29.727 30.300 -0.120 0.000 0.850 270 R HN 0.484 nan 8.270 nan 0.000 0.433 271 D N -0.090 120.346 120.400 0.060 0.000 2.144 271 D HA -0.084 4.432 4.640 -0.207 0.000 0.199 271 D C 1.891 178.259 176.300 0.114 0.000 0.984 271 D CA 1.258 55.307 54.000 0.083 0.000 0.834 271 D CB -0.121 40.691 40.800 0.019 0.000 0.955 271 D HN 0.047 nan 8.370 nan 0.000 0.465 272 S N -0.147 115.589 115.700 0.060 0.000 2.387 272 S HA -0.044 4.302 4.470 -0.207 0.000 0.226 272 S C 1.939 176.603 174.600 0.107 0.000 1.026 272 S CA 0.527 58.758 58.200 0.051 0.000 0.972 272 S CB 0.041 63.239 63.200 -0.002 0.000 0.814 272 S HN 0.193 nan 8.310 nan 0.000 0.477 273 M N 1.282 120.913 119.600 0.052 0.000 2.080 273 M HA -0.095 4.261 4.480 -0.207 0.000 0.260 273 M C 2.270 178.543 176.300 -0.046 0.000 1.068 273 M CA 1.531 56.761 55.300 -0.117 0.000 1.109 273 M CB -1.412 30.905 32.600 -0.473 0.000 1.342 273 M HN 0.230 nan 8.290 nan 0.000 0.405 274 E N -0.614 119.665 120.200 0.132 0.000 2.077 274 E HA -0.225 4.001 4.350 -0.207 0.000 0.193 274 E C 1.882 178.720 176.600 0.396 0.000 0.989 274 E CA 1.647 58.280 56.400 0.388 0.000 0.800 274 E CB -0.451 29.467 29.700 0.363 0.000 0.746 274 E HN 0.500 nan 8.360 nan 0.000 0.452 275 W N -0.012 121.387 121.300 0.165 0.000 2.379 275 W HA -0.136 4.398 4.660 -0.211 0.000 0.307 275 W C 1.932 178.565 176.519 0.190 0.000 1.200 275 W CA 1.761 59.204 57.345 0.163 0.000 1.297 275 W CB -0.137 29.319 29.460 -0.006 0.000 1.140 275 W HN 0.062 nan 8.180 nan 0.000 0.507 276 M N -0.541 119.311 119.600 0.421 0.000 2.159 276 M HA -0.207 4.149 4.480 -0.207 0.000 0.263 276 M C 2.013 178.451 176.300 0.230 0.000 1.063 276 M CA 2.157 57.615 55.300 0.265 0.000 1.110 276 M CB -2.028 30.657 32.600 0.142 0.000 1.374 276 M HN 0.281 nan 8.290 nan 0.000 0.411 277 H N 1.133 120.337 119.070 0.223 0.000 2.353 277 H HA -0.164 4.271 4.556 -0.202 0.000 0.300 277 H C 2.053 177.424 175.328 0.072 0.000 1.090 277 H CA 2.509 58.698 56.048 0.235 0.000 1.327 277 H CB -0.025 29.977 29.762 0.400 0.000 1.383 277 H HN 0.413 nan 8.280 nan 0.000 0.508 278 K N -1.365 118.962 120.400 -0.122 0.000 2.305 278 K HA -0.071 4.125 4.320 -0.207 0.000 0.199 278 K C 1.165 177.427 176.600 -0.564 0.000 1.047 278 K CA 1.249 57.328 56.287 -0.347 0.000 0.976 278 K CB 0.090 32.482 32.500 -0.180 0.000 0.765 278 K HN 0.485 nan 8.250 nan 0.000 0.474 279 H N -1.053 117.697 119.070 -0.533 0.000 2.788 279 H HA 0.174 4.605 4.556 -0.208 0.000 0.262 279 H C 1.288 176.292 175.328 -0.540 0.000 0.968 279 H CA 0.805 56.455 56.048 -0.664 0.000 1.218 279 H CB 1.308 30.281 29.762 -1.314 0.000 1.443 279 H HN 0.054 nan 8.280 nan 0.000 0.478 280 V N -0.868 118.894 119.914 -0.254 0.000 3.159 280 V HA 0.034 4.030 4.120 -0.207 0.000 0.234 280 V C -0.696 175.489 176.094 0.151 0.000 1.313 280 V CA 0.190 62.360 62.300 -0.217 0.000 1.271 280 V CB 1.053 32.817 31.823 -0.099 0.000 1.053 280 V HN 0.161 nan 8.190 nan 0.000 0.476 281 Y N 4.076 124.422 120.300 0.077 0.000 2.445 281 Y HA 0.574 4.999 4.550 -0.209 0.000 0.332 281 Y C -0.496 175.524 175.900 0.200 0.000 1.037 281 Y CA -1.291 56.928 58.100 0.198 0.000 1.296 281 Y CB 0.681 39.282 38.460 0.236 0.000 1.099 281 Y HN 0.464 nan 8.280 nan 0.000 0.496 282 N N 1.009 119.673 118.700 -0.061 0.000 2.853 282 N HA 0.206 4.822 4.740 -0.207 0.000 0.258 282 N C -0.324 175.116 175.510 -0.116 0.000 1.444 282 N CA -0.757 52.217 53.050 -0.126 0.000 0.837 282 N CB 1.543 39.896 38.487 -0.223 0.000 1.489 282 N HN 0.209 nan 8.380 nan 0.000 0.529 283 S N -0.061 115.552 115.700 -0.146 0.000 2.469 283 S HA -0.106 4.240 4.470 -0.207 0.000 0.238 283 S C 0.869 175.359 174.600 -0.183 0.000 0.998 283 S CA 1.224 59.291 58.200 -0.223 0.000 0.957 283 S CB -0.294 62.806 63.200 -0.166 0.000 0.764 283 S HN 0.538 nan 8.310 nan 0.000 0.514 284 E N 0.889 121.028 120.200 -0.102 0.000 2.435 284 E HA 0.103 4.329 4.350 -0.207 0.000 0.195 284 E C 0.532 177.135 176.600 0.006 0.000 1.029 284 E CA 0.513 56.877 56.400 -0.060 0.000 0.865 284 E CB 0.180 29.845 29.700 -0.058 0.000 0.833 284 E HN 0.255 nan 8.360 nan 0.000 0.510 285 K N 0.318 120.767 120.400 0.082 0.000 2.107 285 K HA 0.408 4.604 4.320 -0.207 0.000 0.251 285 K C 0.105 176.891 176.600 0.310 0.000 1.012 285 K CA -0.210 56.226 56.287 0.248 0.000 0.920 285 K CB 1.463 34.220 32.500 0.428 0.000 1.033 285 K HN -0.133 nan 8.250 nan 0.000 0.478 286 S N 0.196 116.080 115.700 0.306 0.000 2.638 286 S HA 0.483 4.829 4.470 -0.207 0.000 0.302 286 S C 0.244 174.848 174.600 0.007 0.000 1.096 286 S CA -0.833 57.521 58.200 0.257 0.000 0.953 286 S CB 1.112 64.376 63.200 0.108 0.000 1.107 286 S HN 0.388 nan 8.310 nan 0.000 0.503 287 I N 1.993 122.418 120.570 -0.241 0.000 2.668 287 I HA 0.104 4.150 4.170 -0.207 0.000 0.285 287 I C -0.822 175.035 176.117 -0.433 0.000 1.168 287 I CA 0.208 60.970 61.300 -0.895 0.000 1.424 287 I CB 0.178 37.893 38.000 -0.476 0.000 1.377 287 I HN 0.157 nan 8.210 nan 0.000 0.560 288 V N 6.613 126.293 119.914 -0.389 0.000 2.483 288 V HA 0.739 4.735 4.120 -0.207 0.000 0.297 288 V C 0.609 176.736 176.094 0.055 0.000 1.027 288 V CA 0.210 62.474 62.300 -0.062 0.000 0.855 288 V CB 0.687 32.510 31.823 -0.000 0.000 0.995 288 V HN 1.154 nan 8.190 nan 0.000 0.424 289 G N 5.408 114.232 108.800 0.040 0.000 2.596 289 G HA2 -0.240 3.596 3.960 -0.207 0.000 0.258 289 G HA3 -0.240 3.596 3.960 -0.207 0.000 0.258 289 G C -0.047 174.914 174.900 0.102 0.000 1.207 289 G CA 0.320 45.467 45.100 0.079 0.000 0.954 289 G HN 0.870 nan 8.290 nan 0.000 0.551 290 N N 1.846 120.626 118.700 0.133 0.000 2.426 290 N HA 0.278 4.894 4.740 -0.207 0.000 0.257 290 N C 1.514 177.094 175.510 0.116 0.000 1.002 290 N CA -0.120 52.993 53.050 0.105 0.000 0.942 290 N CB 0.247 38.751 38.487 0.028 0.000 1.112 290 N HN 0.754 nan 8.380 nan 0.000 0.499 291 W N 3.362 124.734 121.300 0.121 0.000 2.331 291 W HA -0.174 4.362 4.660 -0.207 0.000 0.291 291 W C 1.075 177.687 176.519 0.155 0.000 1.214 291 W CA 0.118 57.524 57.345 0.102 0.000 1.228 291 W CB -1.064 28.436 29.460 0.066 0.000 1.135 291 W HN 0.672 nan 8.180 nan 0.000 0.537 292 W N 2.984 123.415 121.300 -1.450 0.000 2.402 292 W HA -0.155 4.382 4.660 -0.205 0.000 0.286 292 W C 2.021 178.152 176.519 -0.647 0.000 1.221 292 W CA 2.362 58.778 57.345 -1.549 0.000 1.257 292 W CB -0.368 28.318 29.460 -1.289 0.000 1.120 292 W HN -0.209 nan 8.180 nan 0.000 0.551 293 D N -0.988 119.350 120.400 -0.104 0.000 2.144 293 D HA -0.206 4.310 4.640 -0.207 0.000 0.200 293 D C 1.706 177.791 176.300 -0.359 0.000 0.978 293 D CA 1.466 55.368 54.000 -0.163 0.000 0.833 293 D CB -0.649 40.128 40.800 -0.039 0.000 0.961 293 D HN 0.251 nan 8.370 nan 0.000 0.470 294 Y N 1.258 121.383 120.300 -0.292 0.000 2.373 294 Y HA -0.019 4.408 4.550 -0.206 0.000 0.293 294 Y C 2.136 177.921 175.900 -0.192 0.000 1.129 294 Y CA 0.857 58.775 58.100 -0.302 0.000 1.226 294 Y CB 0.230 38.406 38.460 -0.474 0.000 1.000 294 Y HN 0.015 nan 8.280 nan 0.000 0.549 295 E N -1.631 118.543 120.200 -0.044 0.000 2.434 295 E HA 0.166 4.392 4.350 -0.207 0.000 0.207 295 E C 1.230 177.756 176.600 -0.123 0.000 0.929 295 E CA 0.435 56.895 56.400 0.101 0.000 1.001 295 E CB 0.540 30.498 29.700 0.431 0.000 1.016 295 E HN 0.402 nan 8.360 nan 0.000 0.502 296 I N -0.714 119.502 120.570 -0.591 0.000 3.746 296 I HA 0.119 4.165 4.170 -0.207 0.000 0.262 296 I C 2.226 177.800 176.117 -0.904 0.000 1.153 296 I CA 0.439 61.254 61.300 -0.808 0.000 1.395 296 I CB -0.029 37.161 38.000 -1.351 0.000 1.589 296 I HN 0.036 nan 8.210 nan 0.000 0.441 297 G N 0.559 108.538 108.800 -1.369 0.000 2.404 297 G HA2 -0.172 3.664 3.960 -0.207 0.000 0.215 297 G HA3 -0.172 3.664 3.960 -0.207 0.000 0.215 297 G C 1.584 176.209 174.900 -0.458 0.000 1.174 297 G CA 1.654 46.218 45.100 -0.894 0.000 0.780 297 G HN 0.214 nan 8.290 nan 0.000 0.537 298 T N 1.740 116.000 114.554 -0.491 0.000 2.770 298 T HA -0.009 4.217 4.350 -0.207 0.000 0.263 298 T C 0.205 174.616 174.700 -0.483 0.000 1.039 298 T CA 1.367 63.149 62.100 -0.530 0.000 1.142 298 T CB -0.737 67.646 68.868 -0.809 0.000 0.868 298 T HN 0.184 nan 8.240 nan 0.000 0.435 299 P HA -0.081 nan 4.420 nan 0.000 0.215 299 P C 1.477 178.687 177.300 -0.151 0.000 1.157 299 P CA 1.271 64.272 63.100 -0.166 0.000 0.874 299 P CB -0.016 31.650 31.700 -0.055 0.000 0.790 300 R N -0.657 119.743 120.500 -0.167 0.000 2.091 300 R HA -0.112 4.104 4.340 -0.207 0.000 0.238 300 R C 2.306 178.574 176.300 -0.055 0.000 1.136 300 R CA 1.731 57.785 56.100 -0.077 0.000 0.959 300 R CB -1.065 29.188 30.300 -0.079 0.000 0.856 300 R HN 0.163 nan 8.270 nan 0.000 0.437 301 A N 0.872 123.616 122.820 -0.126 0.000 1.898 301 A HA -0.102 4.094 4.320 -0.207 0.000 0.216 301 A C 2.134 179.664 177.584 -0.091 0.000 1.181 301 A CA 1.055 53.039 52.037 -0.088 0.000 0.620 301 A CB -0.392 18.560 19.000 -0.080 0.000 0.819 301 A HN 0.177 nan 8.150 nan 0.000 0.442 302 I N 0.078 120.518 120.570 -0.216 0.000 2.179 302 I HA -0.274 3.772 4.170 -0.207 0.000 0.242 302 I C 2.209 178.277 176.117 -0.082 0.000 1.088 302 I CA 1.263 62.442 61.300 -0.200 0.000 1.357 302 I CB -0.471 37.351 38.000 -0.296 0.000 1.051 302 I HN 0.298 nan 8.210 nan 0.000 0.409 303 N N 1.144 119.816 118.700 -0.047 0.000 2.069 303 N HA -0.179 4.437 4.740 -0.207 0.000 0.191 303 N C 1.582 177.148 175.510 0.093 0.000 1.031 303 N CA 1.437 54.494 53.050 0.012 0.000 0.852 303 N CB -0.646 37.854 38.487 0.021 0.000 1.018 303 N HN 0.326 nan 8.380 nan 0.000 0.423 304 N N 0.013 118.793 118.700 0.133 0.000 2.188 304 N HA -0.048 4.567 4.740 -0.207 0.000 0.184 304 N C 1.634 177.206 175.510 0.104 0.000 1.018 304 N CA 0.971 54.130 53.050 0.181 0.000 0.858 304 N CB -0.728 37.831 38.487 0.121 0.000 0.989 304 N HN 0.240 nan 8.380 nan 0.000 0.426 305 T N 1.641 116.229 114.554 0.056 0.000 2.674 305 T HA -0.013 4.213 4.350 -0.207 0.000 0.265 305 T C 2.059 176.792 174.700 0.054 0.000 1.039 305 T CA 0.782 62.916 62.100 0.057 0.000 1.150 305 T CB -0.304 68.590 68.868 0.043 0.000 0.864 305 T HN 0.134 nan 8.240 nan 0.000 0.427 306 L N 0.745 121.949 121.223 -0.030 0.000 2.083 306 L HA -0.088 4.128 4.340 -0.207 0.000 0.209 306 L C 2.883 179.787 176.870 0.057 0.000 1.083 306 L CA 1.027 55.809 54.840 -0.096 0.000 0.752 306 L CB -0.649 41.305 42.059 -0.175 0.000 0.899 306 L HN 0.274 nan 8.230 nan 0.000 0.433 307 S N 0.167 115.932 115.700 0.109 0.000 2.368 307 S HA -0.137 4.209 4.470 -0.207 0.000 0.225 307 S C 2.000 176.709 174.600 0.181 0.000 1.030 307 S CA 1.220 59.523 58.200 0.172 0.000 0.999 307 S CB -0.148 63.227 63.200 0.292 0.000 0.844 307 S HN 0.285 nan 8.310 nan 0.000 0.459 308 L N 0.203 121.528 121.223 0.169 0.000 2.072 308 L HA 0.119 4.335 4.340 -0.207 0.000 0.205 308 L C 2.086 179.090 176.870 0.223 0.000 1.079 308 L CA 1.037 55.976 54.840 0.165 0.000 0.752 308 L CB -0.216 41.919 42.059 0.128 0.000 0.906 308 L HN 0.338 nan 8.230 nan 0.000 0.436 309 M N 0.015 119.781 119.600 0.278 0.000 2.626 309 M HA 0.026 4.382 4.480 -0.207 0.000 0.262 309 M C 1.511 178.109 176.300 0.498 0.000 1.256 309 M CA 0.049 55.621 55.300 0.453 0.000 0.981 309 M CB 0.228 33.131 32.600 0.506 0.000 1.492 309 M HN 0.149 nan 8.290 nan 0.000 0.474 310 K N -0.059 120.525 120.400 0.306 0.000 2.280 310 K HA -0.119 4.076 4.320 -0.207 0.000 0.202 310 K C 0.710 177.424 176.600 0.190 0.000 1.047 310 K CA 1.230 57.666 56.287 0.249 0.000 0.942 310 K CB -0.140 32.454 32.500 0.157 0.000 0.739 310 K HN 0.433 nan 8.250 nan 0.000 0.457 311 E N -0.111 120.138 120.200 0.082 0.000 2.502 311 E HA -0.057 4.169 4.350 -0.207 0.000 0.194 311 E C 0.202 176.603 176.600 -0.331 0.000 1.062 311 E CA 0.366 56.681 56.400 -0.142 0.000 0.867 311 E CB 0.052 29.596 29.700 -0.260 0.000 0.888 311 E HN 0.478 nan 8.360 nan 0.000 0.510 312 Y N -1.381 118.970 120.300 0.085 0.000 2.481 312 Y HA 0.245 4.796 4.550 0.002 0.000 0.247 312 Y C 0.112 175.907 175.900 -0.176 0.000 1.151 312 Y CA -0.271 57.790 58.100 -0.064 0.000 1.238 312 Y CB 0.625 38.996 38.460 -0.148 0.000 1.179 312 Y HN -0.119 nan 8.280 nan 0.000 0.524 313 F N -0.225 119.828 119.950 0.171 0.000 2.546 313 F HA 0.457 4.867 4.527 -0.195 0.000 0.320 313 F C 0.500 176.349 175.800 0.082 0.000 1.076 313 F CA -1.511 56.575 58.000 0.143 0.000 0.928 313 F CB 1.431 40.533 39.000 0.171 0.000 1.189 313 F HN -0.283 nan 8.300 nan 0.000 0.465 314 S N 0.289 116.143 115.700 0.257 0.000 2.617 314 S HA 0.158 4.504 4.470 -0.207 0.000 0.269 314 S C 0.534 175.203 174.600 0.115 0.000 1.292 314 S CA -0.760 57.522 58.200 0.136 0.000 1.010 314 S CB 1.056 64.303 63.200 0.079 0.000 0.944 314 S HN 0.602 nan 8.310 nan 0.000 0.536 315 D N 1.372 121.808 120.400 0.061 0.000 2.158 315 D HA -0.126 4.390 4.640 -0.207 0.000 0.197 315 D C 1.665 177.959 176.300 -0.009 0.000 0.995 315 D CA 1.680 55.693 54.000 0.021 0.000 0.846 315 D CB -0.284 40.519 40.800 0.004 0.000 0.941 315 D HN 0.710 nan 8.370 nan 0.000 0.456 316 E N 0.765 120.957 120.200 -0.013 0.000 2.106 316 E HA -0.113 4.113 4.350 -0.207 0.000 0.192 316 E C 2.016 178.557 176.600 -0.098 0.000 0.984 316 E CA 0.709 57.079 56.400 -0.050 0.000 0.806 316 E CB -0.231 29.444 29.700 -0.041 0.000 0.750 316 E HN 0.436 nan 8.360 nan 0.000 0.458 317 E N -0.014 120.151 120.200 -0.058 0.000 2.106 317 E HA -0.090 4.136 4.350 -0.207 0.000 0.192 317 E C 1.998 178.490 176.600 -0.179 0.000 0.984 317 E CA 0.625 56.938 56.400 -0.144 0.000 0.806 317 E CB -0.081 29.727 29.700 0.180 0.000 0.750 317 E HN 0.252 nan 8.360 nan 0.000 0.458 318 I N 0.893 121.444 120.570 -0.031 0.000 2.315 318 I HA -0.243 3.803 4.170 -0.207 0.000 0.248 318 I C 2.451 178.527 176.117 -0.068 0.000 1.117 318 I CA 0.948 62.227 61.300 -0.036 0.000 1.404 318 I CB -0.031 37.960 38.000 -0.015 0.000 1.071 318 I HN -0.018 nan 8.210 nan 0.000 0.419 319 K N 1.394 121.738 120.400 -0.092 0.000 2.025 319 K HA -0.216 3.980 4.320 -0.207 0.000 0.207 319 K C 2.278 178.803 176.600 -0.125 0.000 1.049 319 K CA 1.334 57.565 56.287 -0.095 0.000 0.933 319 K CB -0.079 32.368 32.500 -0.089 0.000 0.714 319 K HN -0.008 nan 8.250 nan 0.000 0.438 320 K N -0.228 120.035 120.400 -0.229 0.000 2.074 320 K HA -0.201 3.995 4.320 -0.207 0.000 0.209 320 K C 1.583 178.005 176.600 -0.297 0.000 1.048 320 K CA 1.682 57.764 56.287 -0.341 0.000 0.926 320 K CB -0.151 31.987 32.500 -0.604 0.000 0.713 320 K HN 0.254 nan 8.250 nan 0.000 0.444 321 Y N 0.363 120.596 120.300 -0.113 0.000 2.544 321 Y HA -0.016 4.403 4.550 -0.218 0.000 0.286 321 Y C 2.241 178.131 175.900 -0.018 0.000 1.141 321 Y CA 1.234 59.294 58.100 -0.066 0.000 1.299 321 Y CB -0.116 38.290 38.460 -0.091 0.000 1.030 321 Y HN 0.250 nan 8.280 nan 0.000 0.543 322 T N -4.753 109.848 114.554 0.078 0.000 3.040 322 T HA 0.028 4.253 4.350 -0.207 0.000 0.250 322 T C 1.223 175.940 174.700 0.028 0.000 1.058 322 T CA 0.295 62.424 62.100 0.048 0.000 0.988 322 T CB -0.007 68.864 68.868 0.005 0.000 0.993 322 T HN -0.012 nan 8.240 nan 0.000 0.519 323 D N 1.666 122.072 120.400 0.010 0.000 2.158 323 D HA -0.099 4.417 4.640 -0.207 0.000 0.197 323 D C 2.151 178.442 176.300 -0.016 0.000 0.995 323 D CA 0.799 54.792 54.000 -0.011 0.000 0.846 323 D CB -0.483 40.306 40.800 -0.018 0.000 0.941 323 D HN 0.298 nan 8.370 nan 0.000 0.456 324 V N 0.881 120.796 119.914 0.002 0.000 2.392 324 V HA -0.226 3.770 4.120 -0.207 0.000 0.249 324 V C 2.239 178.366 176.094 0.055 0.000 1.059 324 V CA 1.212 63.474 62.300 -0.062 0.000 1.051 324 V CB -0.301 31.395 31.823 -0.212 0.000 0.658 324 V HN 0.160 nan 8.190 nan 0.000 0.455 325 I N -0.099 120.540 120.570 0.116 0.000 2.226 325 I HA -0.168 3.878 4.170 -0.207 0.000 0.245 325 I C 2.566 178.758 176.117 0.125 0.000 1.100 325 I CA 1.574 62.979 61.300 0.175 0.000 1.374 325 I CB -0.490 37.576 38.000 0.111 0.000 1.057 325 I HN 0.326 nan 8.210 nan 0.000 0.413 326 E N 0.793 121.019 120.200 0.043 0.000 2.208 326 E HA -0.187 4.038 4.350 -0.207 0.000 0.193 326 E C 1.994 178.577 176.600 -0.029 0.000 0.988 326 E CA 0.673 57.077 56.400 0.007 0.000 0.828 326 E CB -0.304 29.383 29.700 -0.021 0.000 0.763 326 E HN 0.371 nan 8.360 nan 0.000 0.478 327 K N 0.361 120.704 120.400 -0.096 0.000 2.025 327 K HA -0.095 4.101 4.320 -0.207 0.000 0.207 327 K C 1.809 178.262 176.600 -0.244 0.000 1.049 327 K CA 0.947 57.088 56.287 -0.243 0.000 0.933 327 K CB -0.184 32.055 32.500 -0.436 0.000 0.714 327 K HN 0.069 nan 8.250 nan 0.000 0.438 328 F N 0.338 120.325 119.950 0.062 0.000 2.416 328 F HA 0.023 4.425 4.527 -0.208 0.000 0.296 328 F C 1.087 176.974 175.800 0.145 0.000 1.099 328 F CA 0.344 58.423 58.000 0.131 0.000 1.427 328 F CB 0.491 39.625 39.000 0.223 0.000 1.079 328 F HN -0.270 nan 8.300 nan 0.000 0.536 329 V N 1.682 121.749 119.914 0.255 0.000 2.405 329 V HA 0.181 4.177 4.120 -0.207 0.000 0.253 329 V C -1.827 174.309 176.094 0.070 0.000 0.963 329 V CA -0.832 61.576 62.300 0.181 0.000 1.003 329 V CB 0.614 32.570 31.823 0.221 0.000 1.251 329 V HN -0.069 nan 8.190 nan 0.000 0.520 330 P HA 0.033 nan 4.420 nan 0.000 0.225 330 P C 0.175 177.470 177.300 -0.009 0.000 1.156 330 P CA 0.992 64.094 63.100 0.004 0.000 0.787 330 P CB 0.650 32.345 31.700 -0.009 0.000 0.802 331 D N 0.394 120.787 120.400 -0.012 0.000 2.471 331 D HA 0.175 4.691 4.640 -0.207 0.000 0.245 331 D C -1.923 174.323 176.300 -0.089 0.000 1.116 331 D CA -2.688 51.303 54.000 -0.016 0.000 0.853 331 D CB 1.547 42.376 40.800 0.049 0.000 1.123 331 D HN -0.092 nan 8.370 nan 0.000 0.540 332 P HA 0.001 nan 4.420 nan 0.000 0.242 332 P C 0.387 177.544 177.300 -0.239 0.000 1.197 332 P CA 0.596 63.595 63.100 -0.169 0.000 0.765 332 P CB 0.491 32.130 31.700 -0.102 0.000 0.936 333 E N -1.451 118.602 120.200 -0.245 0.000 2.452 333 E HA 0.032 4.258 4.350 -0.207 0.000 0.197 333 E C -0.126 176.060 176.600 -0.691 0.000 1.022 333 E CA 0.192 56.346 56.400 -0.411 0.000 0.890 333 E CB 0.068 29.537 29.700 -0.385 0.000 0.918 333 E HN 0.502 nan 8.360 nan 0.000 0.496 334 H N -1.525 117.398 119.070 -0.245 0.000 2.768 334 H HA 0.364 4.796 4.556 -0.207 0.000 0.371 334 H C -1.064 174.057 175.328 -0.344 0.000 1.151 334 H CA -0.736 55.181 56.048 -0.219 0.000 1.165 334 H CB 1.188 30.883 29.762 -0.111 0.000 1.722 334 H HN -0.145 nan 8.280 nan 0.000 0.543 335 F N 0.284 120.265 119.950 0.052 0.000 2.509 335 F HA 0.440 4.842 4.527 -0.208 0.000 0.334 335 F C 0.819 176.559 175.800 -0.100 0.000 1.060 335 F CA -0.894 57.097 58.000 -0.015 0.000 0.997 335 F CB 1.087 39.994 39.000 -0.155 0.000 1.271 335 F HN 0.505 nan 8.300 nan 0.000 0.488 336 R N 0.286 120.891 120.500 0.175 0.000 3.651 336 R HA -0.217 3.999 4.340 -0.207 0.000 0.292 336 R C 1.189 177.529 176.300 0.067 0.000 1.161 336 R CA 0.345 56.483 56.100 0.062 0.000 0.787 336 R CB -1.030 29.169 30.300 -0.168 0.000 1.249 336 R HN 0.575 nan 8.270 nan 0.000 0.476 337 K N 0.394 120.861 120.400 0.112 0.000 2.097 337 K HA -0.109 4.087 4.320 -0.207 0.000 0.206 337 K C 1.870 178.492 176.600 0.037 0.000 1.049 337 K CA 2.125 58.440 56.287 0.046 0.000 0.933 337 K CB -0.039 32.490 32.500 0.048 0.000 0.717 337 K HN 0.532 nan 8.250 nan 0.000 0.442 338 T N -1.205 113.405 114.554 0.094 0.000 3.148 338 T HA -0.020 4.206 4.350 -0.207 0.000 0.253 338 T C 0.974 175.709 174.700 0.058 0.000 1.134 338 T CA 0.263 62.404 62.100 0.070 0.000 1.051 338 T CB -0.396 68.538 68.868 0.110 0.000 0.959 338 T HN 0.186 nan 8.240 nan 0.000 0.525 339 T N -1.336 113.247 114.554 0.048 0.000 2.912 339 T HA 0.362 4.588 4.350 -0.207 0.000 0.280 339 T C 0.411 175.106 174.700 -0.008 0.000 0.989 339 T CA -0.748 61.365 62.100 0.021 0.000 0.995 339 T CB 1.295 70.171 68.868 0.013 0.000 1.077 339 T HN -0.139 nan 8.240 nan 0.000 0.531 340 D N 0.606 120.997 120.400 -0.015 0.000 2.347 340 D HA 0.033 4.549 4.640 -0.207 0.000 0.215 340 D C -0.154 176.123 176.300 -0.039 0.000 0.976 340 D CA 0.811 54.796 54.000 -0.025 0.000 0.884 340 D CB -0.150 40.638 40.800 -0.020 0.000 0.915 340 D HN 0.614 nan 8.370 nan 0.000 0.526 341 N N 0.706 119.379 118.700 -0.045 0.000 2.790 341 N HA 0.233 4.849 4.740 -0.207 0.000 0.256 341 N C -2.693 172.768 175.510 -0.082 0.000 1.409 341 N CA -0.957 52.056 53.050 -0.061 0.000 0.799 341 N CB 1.824 40.276 38.487 -0.058 0.000 1.170 341 N HN -0.100 nan 8.380 nan 0.000 0.507 342 P HA 0.012 nan 4.420 nan 0.000 0.271 342 P C -0.647 176.614 177.300 -0.065 0.000 1.238 342 P CA -0.306 62.744 63.100 -0.083 0.000 0.794 342 P CB 0.775 32.397 31.700 -0.130 0.000 0.959 343 V N 0.525 120.432 119.914 -0.012 0.000 2.760 343 V HA 0.301 4.297 4.120 -0.207 0.000 0.309 343 V C -0.502 175.680 176.094 0.147 0.000 1.077 343 V CA -1.120 61.187 62.300 0.011 0.000 0.910 343 V CB 1.862 33.614 31.823 -0.118 0.000 1.008 343 V HN 0.396 nan 8.190 nan 0.000 0.424 344 K N 4.683 125.155 120.400 0.120 0.000 2.416 344 K HA 0.517 4.713 4.320 -0.207 0.000 0.283 344 K C 0.158 176.743 176.600 -0.026 0.000 1.037 344 K CA 0.346 56.627 56.287 -0.009 0.000 0.995 344 K CB 0.828 33.306 32.500 -0.037 0.000 0.938 344 K HN 0.948 nan 8.250 nan 0.000 0.475 345 A N 6.153 128.905 122.820 -0.114 0.000 2.438 345 A HA 0.312 4.508 4.320 -0.207 0.000 0.280 345 A C -0.556 177.033 177.584 0.008 0.000 1.160 345 A CA -0.100 51.939 52.037 0.003 0.000 0.821 345 A CB -0.245 18.608 19.000 -0.244 0.000 1.101 345 A HN 0.721 nan 8.150 nan 0.000 0.515 346 L N 2.013 123.283 121.223 0.078 0.000 2.359 346 L HA 0.755 4.970 4.340 -0.207 0.000 0.256 346 L C 0.958 177.873 176.870 0.074 0.000 1.026 346 L CA -0.217 54.645 54.840 0.035 0.000 0.828 346 L CB 1.963 44.010 42.059 -0.019 0.000 1.406 346 L HN 1.156 nan 8.230 nan 0.000 0.413 347 G N 0.478 109.306 108.800 0.046 0.000 2.552 347 G HA2 -0.243 3.592 3.960 -0.207 0.000 0.265 347 G HA3 -0.243 3.592 3.960 -0.207 0.000 0.265 347 G C 0.754 175.727 174.900 0.122 0.000 1.234 347 G CA 0.250 45.407 45.100 0.096 0.000 0.944 347 G HN 1.080 nan 8.290 nan 0.000 0.568 348 G N -0.301 108.598 108.800 0.166 0.000 2.440 348 G HA2 -0.220 3.616 3.960 -0.207 0.000 0.218 348 G HA3 -0.220 3.616 3.960 -0.207 0.000 0.218 348 G C 1.525 176.554 174.900 0.215 0.000 1.154 348 G CA 1.641 46.829 45.100 0.145 0.000 0.767 348 G HN 0.853 nan 8.290 nan 0.000 0.552 349 N N -0.188 118.686 118.700 0.289 0.000 2.223 349 N HA -0.082 4.533 4.740 -0.207 0.000 0.185 349 N C 1.997 177.788 175.510 0.468 0.000 1.016 349 N CA 0.590 53.849 53.050 0.347 0.000 0.863 349 N CB -0.109 38.585 38.487 0.345 0.000 0.983 349 N HN 0.237 nan 8.380 nan 0.000 0.429 350 L N 0.907 122.333 121.223 0.338 0.000 2.141 350 L HA -0.052 4.164 4.340 -0.207 0.000 0.209 350 L C 1.875 178.841 176.870 0.161 0.000 1.094 350 L CA 1.220 56.198 54.840 0.230 0.000 0.763 350 L CB -0.326 41.793 42.059 0.101 0.000 0.908 350 L HN -0.055 nan 8.230 nan 0.000 0.437 351 V N -0.347 119.651 119.914 0.139 0.000 2.358 351 V HA -0.248 3.748 4.120 -0.207 0.000 0.246 351 V C 2.260 178.437 176.094 0.138 0.000 1.047 351 V CA 1.854 64.220 62.300 0.110 0.000 1.035 351 V CB -0.658 31.216 31.823 0.086 0.000 0.658 351 V HN 0.429 nan 8.190 nan 0.000 0.452 352 D N -0.598 119.910 120.400 0.181 0.000 2.149 352 D HA -0.207 4.308 4.640 -0.207 0.000 0.198 352 D C 2.015 178.443 176.300 0.212 0.000 0.990 352 D CA 1.353 55.454 54.000 0.169 0.000 0.839 352 D CB -0.205 40.677 40.800 0.137 0.000 0.948 352 D HN 0.347 nan 8.370 nan 0.000 0.460 353 M N 0.507 120.315 119.600 0.347 0.000 2.106 353 M HA -0.104 4.251 4.480 -0.207 0.000 0.259 353 M C 1.932 178.275 176.300 0.072 0.000 1.068 353 M CA 1.966 57.401 55.300 0.225 0.000 1.100 353 M CB -0.715 31.903 32.600 0.031 0.000 1.351 353 M HN 0.006 nan 8.290 nan 0.000 0.404 354 G N -0.433 108.399 108.800 0.055 0.000 2.418 354 G HA2 -0.208 3.628 3.960 -0.207 0.000 0.217 354 G HA3 -0.208 3.628 3.960 -0.207 0.000 0.217 354 G C 1.671 176.544 174.900 -0.045 0.000 1.158 354 G CA 0.739 45.840 45.100 0.002 0.000 0.771 354 G HN 0.508 nan 8.290 nan 0.000 0.545 355 R N -0.213 120.286 120.500 -0.002 0.000 2.189 355 R HA 0.042 4.257 4.340 -0.207 0.000 0.223 355 R C 2.429 178.701 176.300 -0.047 0.000 1.092 355 R CA 0.668 56.751 56.100 -0.029 0.000 0.989 355 R CB -0.190 30.182 30.300 0.120 0.000 0.876 355 R HN 0.356 nan 8.270 nan 0.000 0.457 356 V N 0.795 120.702 119.914 -0.011 0.000 2.300 356 V HA -0.139 3.857 4.120 -0.207 0.000 0.241 356 V C 1.987 178.059 176.094 -0.037 0.000 1.034 356 V CA 1.519 63.813 62.300 -0.010 0.000 1.021 356 V CB -0.176 31.677 31.823 0.051 0.000 0.662 356 V HN 0.199 nan 8.190 nan 0.000 0.458 357 K N -0.398 119.983 120.400 -0.032 0.000 2.211 357 K HA 0.050 4.245 4.320 -0.207 0.000 0.201 357 K C 1.992 178.547 176.600 -0.074 0.000 1.052 357 K CA 0.607 56.868 56.287 -0.044 0.000 0.973 357 K CB 0.097 32.577 32.500 -0.034 0.000 0.766 357 K HN 0.256 nan 8.250 nan 0.000 0.466 358 V N 1.987 121.840 119.914 -0.101 0.000 2.358 358 V HA -0.231 3.765 4.120 -0.207 0.000 0.246 358 V C 2.152 178.135 176.094 -0.186 0.000 1.047 358 V CA 1.355 63.579 62.300 -0.127 0.000 1.035 358 V CB -0.323 31.414 31.823 -0.143 0.000 0.658 358 V HN 0.232 nan 8.190 nan 0.000 0.452 359 I N 0.780 121.183 120.570 -0.278 0.000 2.286 359 I HA -0.129 3.917 4.170 -0.207 0.000 0.245 359 I C 2.704 178.721 176.117 -0.166 0.000 1.104 359 I CA 1.800 62.901 61.300 -0.332 0.000 1.397 359 I CB -1.782 35.931 38.000 -0.479 0.000 1.072 359 I HN 0.287 nan 8.210 nan 0.000 0.417 360 A N 1.084 123.835 122.820 -0.114 0.000 1.933 360 A HA -0.074 4.122 4.320 -0.207 0.000 0.218 360 A C 2.502 180.040 177.584 -0.078 0.000 1.175 360 A CA 1.758 53.752 52.037 -0.073 0.000 0.628 360 A CB -1.311 17.663 19.000 -0.043 0.000 0.814 360 A HN 0.428 nan 8.150 nan 0.000 0.444 361 G N -0.254 108.499 108.800 -0.079 0.000 2.422 361 G HA2 -0.146 3.690 3.960 -0.207 0.000 0.218 361 G HA3 -0.146 3.690 3.960 -0.207 0.000 0.218 361 G C 1.543 176.389 174.900 -0.091 0.000 1.146 361 G CA 1.025 46.079 45.100 -0.077 0.000 0.769 361 G HN 0.438 nan 8.290 nan 0.000 0.547 362 L N -0.301 120.888 121.223 -0.057 0.000 2.072 362 L HA 0.066 4.282 4.340 -0.207 0.000 0.205 362 L C 2.876 179.711 176.870 -0.058 0.000 1.079 362 L CA 0.434 55.280 54.840 0.011 0.000 0.752 362 L CB -0.358 41.716 42.059 0.025 0.000 0.906 362 L HN 0.168 nan 8.230 nan 0.000 0.436 363 L N 0.007 121.191 121.223 -0.065 0.000 2.083 363 L HA -0.200 4.016 4.340 -0.207 0.000 0.209 363 L C 2.581 179.387 176.870 -0.108 0.000 1.083 363 L CA 1.387 56.192 54.840 -0.058 0.000 0.752 363 L CB -0.411 41.621 42.059 -0.044 0.000 0.899 363 L HN 0.364 nan 8.230 nan 0.000 0.433 364 R N 0.509 120.923 120.500 -0.142 0.000 2.334 364 R HA 0.043 4.259 4.340 -0.207 0.000 0.220 364 R C 0.142 176.279 176.300 -0.272 0.000 0.917 364 R CA -0.132 55.871 56.100 -0.161 0.000 1.073 364 R CB -0.007 30.227 30.300 -0.111 0.000 1.056 364 R HN 0.079 nan 8.270 nan 0.000 0.506 365 K N 1.308 121.418 120.400 -0.483 0.000 3.077 365 K HA -0.161 4.035 4.320 -0.207 0.000 0.264 365 K C -0.908 175.335 176.600 -0.595 0.000 1.008 365 K CA 1.081 56.755 56.287 -1.020 0.000 0.740 365 K CB -1.125 30.874 32.500 -0.835 0.000 1.273 365 K HN 0.348 nan 8.250 nan 0.000 0.477 366 D N 0.748 120.951 120.400 -0.328 0.000 2.477 366 D HA 0.131 4.646 4.640 -0.207 0.000 0.239 366 D C 0.480 176.764 176.300 -0.025 0.000 1.102 366 D CA -0.457 53.465 54.000 -0.130 0.000 0.901 366 D CB 0.875 41.614 40.800 -0.102 0.000 1.026 366 D HN -0.002 nan 8.370 nan 0.000 0.515 367 D N 1.463 121.887 120.400 0.040 0.000 2.144 367 D HA -0.179 4.337 4.640 -0.207 0.000 0.199 367 D C 1.559 177.883 176.300 0.039 0.000 0.984 367 D CA 0.812 54.866 54.000 0.089 0.000 0.834 367 D CB 0.273 41.132 40.800 0.098 0.000 0.955 367 D HN 0.481 nan 8.370 nan 0.000 0.465 368 Q N 0.784 120.593 119.800 0.014 0.000 2.167 368 Q HA -0.159 4.057 4.340 -0.207 0.000 0.202 368 Q C 1.918 177.916 176.000 -0.004 0.000 0.970 368 Q CA 1.119 56.925 55.803 0.004 0.000 0.855 368 Q CB 0.049 28.784 28.738 -0.004 0.000 0.911 368 Q HN 0.431 nan 8.270 nan 0.000 0.438 369 E N -0.082 120.110 120.200 -0.012 0.000 2.047 369 E HA -0.152 4.074 4.350 -0.207 0.000 0.191 369 E C 2.164 178.755 176.600 -0.015 0.000 0.987 369 E CA 1.090 57.477 56.400 -0.021 0.000 0.799 369 E CB -0.111 29.569 29.700 -0.034 0.000 0.752 369 E HN 0.395 nan 8.360 nan 0.000 0.449 370 I N 1.127 121.697 120.570 -0.001 0.000 2.127 370 I HA -0.312 3.734 4.170 -0.207 0.000 0.241 370 I C 2.745 178.867 176.117 0.008 0.000 1.075 370 I CA 1.564 62.868 61.300 0.007 0.000 1.334 370 I CB -0.416 37.609 38.000 0.041 0.000 1.040 370 I HN 0.214 nan 8.210 nan 0.000 0.405 371 S N 0.390 116.099 115.700 0.015 0.000 2.368 371 S HA -0.182 4.164 4.470 -0.207 0.000 0.224 371 S C 2.149 176.753 174.600 0.007 0.000 1.029 371 S CA 1.230 59.438 58.200 0.014 0.000 0.988 371 S CB -0.920 62.289 63.200 0.016 0.000 0.838 371 S HN 0.554 nan 8.310 nan 0.000 0.462 372 S N 1.452 117.152 115.700 -0.001 0.000 2.383 372 S HA -0.094 4.252 4.470 -0.207 0.000 0.227 372 S C 1.891 176.482 174.600 -0.015 0.000 1.026 372 S CA 1.418 59.613 58.200 -0.009 0.000 0.981 372 S CB -1.470 61.721 63.200 -0.014 0.000 0.818 372 S HN 0.571 nan 8.310 nan 0.000 0.472 373 T N 2.659 117.202 114.554 -0.018 0.000 2.812 373 T HA 0.198 4.424 4.350 -0.207 0.000 0.264 373 T C 1.728 176.425 174.700 -0.006 0.000 1.042 373 T CA 1.264 63.349 62.100 -0.025 0.000 1.140 373 T CB -0.435 68.413 68.868 -0.032 0.000 0.870 373 T HN 0.381 nan 8.240 nan 0.000 0.445 374 I N 0.727 121.302 120.570 0.010 0.000 2.226 374 I HA -0.162 3.884 4.170 -0.207 0.000 0.245 374 I C 2.780 178.927 176.117 0.051 0.000 1.100 374 I CA 1.165 62.487 61.300 0.037 0.000 1.374 374 I CB -0.290 37.734 38.000 0.039 0.000 1.057 374 I HN 0.097 nan 8.210 nan 0.000 0.413 375 R N 0.430 120.949 120.500 0.032 0.000 2.091 375 R HA -0.196 4.020 4.340 -0.207 0.000 0.238 375 R C 2.548 178.865 176.300 0.029 0.000 1.136 375 R CA 1.894 58.014 56.100 0.034 0.000 0.959 375 R CB -0.289 30.021 30.300 0.016 0.000 0.856 375 R HN 0.202 nan 8.270 nan 0.000 0.437 376 S N -0.044 115.656 115.700 0.001 0.000 2.356 376 S HA -0.086 4.260 4.470 -0.207 0.000 0.223 376 S C 1.867 176.464 174.600 -0.006 0.000 1.032 376 S CA 1.348 59.534 58.200 -0.024 0.000 1.005 376 S CB -0.198 62.963 63.200 -0.066 0.000 0.867 376 S HN 0.376 nan 8.310 nan 0.000 0.449 377 I N 1.405 121.983 120.570 0.012 0.000 2.454 377 I HA -0.155 3.891 4.170 -0.207 0.000 0.254 377 I C 2.321 178.457 176.117 0.032 0.000 1.156 377 I CA 1.222 62.532 61.300 0.017 0.000 1.433 377 I CB -0.384 37.639 38.000 0.038 0.000 1.082 377 I HN 0.400 nan 8.210 nan 0.000 0.432 378 E N 0.538 120.815 120.200 0.129 0.000 2.267 378 E HA -0.270 3.956 4.350 -0.207 0.000 0.197 378 E C 2.037 178.768 176.600 0.217 0.000 0.998 378 E CA 0.751 57.322 56.400 0.285 0.000 0.830 378 E CB -0.110 29.739 29.700 0.248 0.000 0.751 378 E HN 0.588 nan 8.360 nan 0.000 0.491 379 Q N 0.165 120.020 119.800 0.091 0.000 2.197 379 Q HA -0.171 4.045 4.340 -0.207 0.000 0.207 379 Q C 2.265 178.301 176.000 0.060 0.000 0.984 379 Q CA 1.069 56.910 55.803 0.064 0.000 0.869 379 Q CB -0.174 28.572 28.738 0.014 0.000 0.906 379 Q HN 0.179 nan 8.270 nan 0.000 0.426 380 V N -0.025 119.868 119.914 -0.034 0.000 2.759 380 V HA -0.187 3.809 4.120 -0.207 0.000 0.256 380 V C 1.125 177.281 176.094 0.104 0.000 1.080 380 V CA 1.326 63.592 62.300 -0.055 0.000 1.101 380 V CB -0.307 31.399 31.823 -0.195 0.000 0.698 380 V HN 0.288 nan 8.190 nan 0.000 0.477 381 F N 0.368 120.512 119.950 0.324 0.000 2.780 381 F HA 0.228 4.630 4.527 -0.208 0.000 0.299 381 F C 1.299 177.223 175.800 0.207 0.000 1.146 381 F CA 0.141 58.313 58.000 0.287 0.000 1.428 381 F CB -0.239 38.821 39.000 0.099 0.000 1.115 381 F HN 0.028 nan 8.300 nan 0.000 0.583 382 K N 1.282 121.859 120.400 0.297 0.000 2.234 382 K HA 0.289 4.485 4.320 -0.207 0.000 0.282 382 K C -0.569 176.133 176.600 0.170 0.000 1.039 382 K CA -0.776 55.618 56.287 0.179 0.000 0.928 382 K CB 1.191 33.755 32.500 0.106 0.000 1.039 382 K HN -0.163 nan 8.250 nan 0.000 0.470 383 L N 3.403 124.694 121.223 0.113 0.000 2.371 383 L HA 0.206 4.422 4.340 -0.207 0.000 0.272 383 L C 0.078 176.916 176.870 -0.054 0.000 1.124 383 L CA -0.259 54.620 54.840 0.066 0.000 0.816 383 L CB 1.109 43.183 42.059 0.025 0.000 1.129 383 L HN 0.415 nan 8.230 nan 0.000 0.448 384 V N -0.183 119.603 119.914 -0.213 0.000 2.850 384 V HA 0.578 4.574 4.120 -0.207 0.000 0.315 384 V C 0.230 176.042 176.094 -0.469 0.000 1.064 384 V CA -0.601 61.494 62.300 -0.341 0.000 0.979 384 V CB 1.891 33.458 31.823 -0.426 0.000 1.039 384 V HN 0.695 nan 8.190 nan 0.000 0.452 385 D N 0.200 120.450 120.400 -0.249 0.000 2.392 385 D HA 0.224 4.740 4.640 -0.207 0.000 0.206 385 D C 0.452 176.788 176.300 0.061 0.000 1.046 385 D CA 0.777 54.740 54.000 -0.061 0.000 0.865 385 D CB 0.640 41.442 40.800 0.003 0.000 0.969 385 D HN 0.770 nan 8.370 nan 0.000 0.509 386 Q N -1.571 118.207 119.800 -0.037 0.000 2.522 386 Q HA 0.486 4.702 4.340 -0.207 0.000 0.285 386 Q C -0.263 175.761 176.000 0.041 0.000 0.982 386 Q CA -0.275 55.589 55.803 0.102 0.000 0.805 386 Q CB 1.953 30.728 28.738 0.061 0.000 1.457 386 Q HN 0.153 nan 8.270 nan 0.000 0.394 387 G N 1.358 110.221 108.800 0.105 0.000 2.642 387 G HA2 -0.247 3.589 3.960 -0.207 0.000 0.231 387 G HA3 -0.247 3.589 3.960 -0.207 0.000 0.231 387 G C -0.929 173.975 174.900 0.006 0.000 1.338 387 G CA -0.114 45.005 45.100 0.032 0.000 0.883 387 G HN 0.600 nan 8.290 nan 0.000 0.570 388 E N 0.558 120.709 120.200 -0.080 0.000 2.366 388 E HA 0.514 4.740 4.350 -0.207 0.000 0.266 388 E C 0.691 177.132 176.600 -0.265 0.000 1.051 388 E CA 0.452 56.738 56.400 -0.190 0.000 0.884 388 E CB 1.140 30.732 29.700 -0.180 0.000 1.006 388 E HN 1.923 nan 8.360 nan 0.000 0.417 389 G N 1.216 109.720 108.800 -0.494 0.000 2.331 389 G HA2 -0.071 3.765 3.960 -0.207 0.000 0.402 389 G HA3 -0.071 3.765 3.960 -0.207 0.000 0.402 389 G C -1.378 173.282 174.900 -0.401 0.000 1.275 389 G CA -1.192 43.642 45.100 -0.443 0.000 1.003 389 G HN 0.285 nan 8.290 nan 0.000 0.500 390 F N 0.440 120.394 119.950 0.006 0.000 2.412 390 F HA 0.674 5.077 4.527 -0.207 0.000 0.348 390 F C 0.487 176.336 175.800 0.082 0.000 1.102 390 F CA 0.039 58.134 58.000 0.159 0.000 1.196 390 F CB 0.858 39.963 39.000 0.176 0.000 1.144 390 F HN 0.397 nan 8.300 nan 0.000 0.541 391 Y N 0.771 121.251 120.300 0.301 0.000 2.534 391 Y HA 0.176 4.601 4.550 -0.207 0.000 0.329 391 Y C 1.410 177.474 175.900 0.273 0.000 1.154 391 Y CA -1.039 57.189 58.100 0.214 0.000 1.192 391 Y CB 1.178 39.726 38.460 0.146 0.000 1.275 391 Y HN 0.625 nan 8.280 nan 0.000 0.491 392 Q N 0.001 119.998 119.800 0.328 0.000 2.181 392 Q HA -0.205 4.010 4.340 -0.207 0.000 0.205 392 Q C 0.607 176.837 176.000 0.382 0.000 0.980 392 Q CA 2.101 58.077 55.803 0.288 0.000 0.862 392 Q CB -0.355 28.485 28.738 0.170 0.000 0.905 392 Q HN 0.760 nan 8.270 nan 0.000 0.429 393 D N -0.614 119.986 120.400 0.333 0.000 2.336 393 D HA 0.087 4.602 4.640 -0.207 0.000 0.229 393 D C 1.184 177.698 176.300 0.357 0.000 1.061 393 D CA 0.759 54.913 54.000 0.258 0.000 0.875 393 D CB 0.229 41.122 40.800 0.154 0.000 0.904 393 D HN 0.521 nan 8.370 nan 0.000 0.525 394 G N -0.540 108.531 108.800 0.451 0.000 2.213 394 G HA2 -0.271 3.565 3.960 -0.207 0.000 0.236 394 G HA3 -0.271 3.565 3.960 -0.207 0.000 0.236 394 G C 0.449 175.547 174.900 0.330 0.000 0.991 394 G CA 0.153 45.533 45.100 0.467 0.000 0.629 394 G HN 0.433 nan 8.290 nan 0.000 0.517 395 S N -0.223 115.655 115.700 0.298 0.000 2.573 395 S HA 0.465 4.811 4.470 -0.207 0.000 0.277 395 S C -0.406 174.280 174.600 0.144 0.000 1.346 395 S CA 0.430 58.642 58.200 0.021 0.000 1.034 395 S CB 1.142 64.269 63.200 -0.121 0.000 0.879 395 S HN 0.866 nan 8.310 nan 0.000 0.528 396 Y N 2.132 122.332 120.300 -0.167 0.000 2.354 396 Y HA 0.539 4.965 4.550 -0.207 0.000 0.330 396 Y C -1.283 174.510 175.900 -0.179 0.000 1.011 396 Y CA -0.909 57.042 58.100 -0.247 0.000 1.099 396 Y CB 0.620 38.717 38.460 -0.605 0.000 1.179 396 Y HN 0.429 nan 8.280 nan 0.000 0.442 397 I N 5.869 126.038 120.570 -0.669 0.000 2.441 397 I HA 0.381 4.427 4.170 -0.207 0.000 0.295 397 I C -0.564 175.166 176.117 -0.645 0.000 0.994 397 I CA -0.377 60.670 61.300 -0.422 0.000 1.144 397 I CB 1.707 39.617 38.000 -0.151 0.000 1.314 397 I HN 0.711 nan 8.210 nan 0.000 0.445 398 D N 3.026 123.261 120.400 -0.276 0.000 2.592 398 D HA 0.332 4.848 4.640 -0.207 0.000 0.263 398 D C -0.372 175.910 176.300 -0.030 0.000 1.132 398 D CA -0.272 53.583 54.000 -0.242 0.000 0.996 398 D CB 1.470 42.062 40.800 -0.348 0.000 1.442 398 D HN 0.617 nan 8.370 nan 0.000 0.486 399 H N 0.455 119.411 119.070 -0.190 0.000 2.604 399 H HA -0.219 4.212 4.556 -0.207 0.000 0.321 399 H C 0.450 175.739 175.328 -0.064 0.000 1.132 399 H CA 0.501 56.477 56.048 -0.119 0.000 1.129 399 H CB -1.032 28.699 29.762 -0.051 0.000 1.526 399 H HN 0.516 nan 8.280 nan 0.000 0.415 400 T N -1.205 113.367 114.554 0.031 0.000 12.788 400 T HA -0.332 3.894 4.350 -0.207 0.000 0.415 400 T C 0.920 175.625 174.700 0.008 0.000 1.469 400 T CA 2.028 64.132 62.100 0.006 0.000 2.411 400 T CB -0.926 67.943 68.868 0.001 0.000 2.796 400 T HN 0.782 nan 8.240 nan 0.000 0.707 401 N N 0.158 118.869 118.700 0.018 0.000 2.423 401 N HA 0.363 4.979 4.740 -0.207 0.000 0.262 401 N C -1.094 174.416 175.510 0.001 0.000 1.467 401 N CA -0.154 52.902 53.050 0.010 0.000 0.847 401 N CB -0.131 38.374 38.487 0.030 0.000 1.394 401 N HN 0.477 nan 8.380 nan 0.000 0.495 402 V N 0.763 120.675 119.914 -0.005 0.000 2.459 402 V HA 0.798 4.794 4.120 -0.207 0.000 0.295 402 V C 0.614 176.647 176.094 -0.101 0.000 1.029 402 V CA -1.155 61.107 62.300 -0.063 0.000 0.874 402 V CB 1.296 33.079 31.823 -0.068 0.000 0.985 402 V HN 0.441 nan 8.190 nan 0.000 0.438 403 A N 3.966 126.697 122.820 -0.147 0.000 2.545 403 A HA 0.356 4.552 4.320 -0.207 0.000 0.253 403 A C -0.276 177.214 177.584 -0.156 0.000 1.074 403 A CA 0.591 52.545 52.037 -0.138 0.000 0.760 403 A CB -0.435 18.489 19.000 -0.128 0.000 1.005 403 A HN 0.847 nan 8.150 nan 0.000 0.506 404 Y N 1.647 121.945 120.300 -0.003 0.000 2.863 404 Y HA 0.099 4.525 4.550 -0.206 0.000 0.254 404 Y C 1.867 177.819 175.900 0.087 0.000 1.124 404 Y CA 0.088 58.235 58.100 0.079 0.000 1.203 404 Y CB -0.285 38.251 38.460 0.127 0.000 1.269 404 Y HN 0.730 nan 8.280 nan 0.000 0.586 405 T N -1.369 113.253 114.554 0.114 0.000 2.685 405 T HA -0.206 4.020 4.350 -0.207 0.000 0.268 405 T C 2.003 176.630 174.700 -0.121 0.000 1.034 405 T CA 1.921 63.888 62.100 -0.221 0.000 1.149 405 T CB -0.330 68.323 68.868 -0.358 0.000 0.860 405 T HN 0.546 nan 8.240 nan 0.000 0.449 406 G N -0.595 108.199 108.800 -0.010 0.000 3.181 406 G HA2 0.490 4.326 3.960 -0.207 0.000 0.219 406 G HA3 0.490 4.326 3.960 -0.207 0.000 0.219 406 G C 0.848 175.753 174.900 0.009 0.000 1.182 406 G CA 0.568 45.678 45.100 0.017 0.000 0.791 406 G HN 0.604 nan 8.290 nan 0.000 0.537 407 A N -0.429 122.397 122.820 0.010 0.000 1.808 407 A HA 0.405 4.601 4.320 -0.207 0.000 0.190 407 A C 1.577 178.918 177.584 -0.406 0.000 1.822 407 A CA 0.099 52.026 52.037 -0.184 0.000 1.090 407 A CB -0.363 18.555 19.000 -0.136 0.000 1.004 407 A HN 0.086 nan 8.150 nan 0.000 0.602 408 Y N 1.301 121.383 120.300 -0.362 0.000 2.242 408 Y HA -0.004 4.422 4.550 -0.207 0.000 0.291 408 Y C 2.683 178.347 175.900 -0.393 0.000 1.137 408 Y CA 1.391 59.281 58.100 -0.351 0.000 1.181 408 Y CB -0.473 37.755 38.460 -0.386 0.000 0.989 408 Y HN 0.394 nan 8.280 nan 0.000 0.527 409 G N -0.171 108.322 108.800 -0.512 0.000 2.408 409 G HA2 -0.262 3.574 3.960 -0.207 0.000 0.217 409 G HA3 -0.262 3.574 3.960 -0.207 0.000 0.217 409 G C 1.480 176.357 174.900 -0.039 0.000 1.150 409 G CA 1.065 45.766 45.100 -0.666 0.000 0.776 409 G HN 0.309 nan 8.290 nan 0.000 0.542 410 N N 0.547 119.238 118.700 -0.015 0.000 2.061 410 N HA -0.127 4.489 4.740 -0.207 0.000 0.193 410 N C 2.261 177.713 175.510 -0.096 0.000 1.030 410 N CA 1.266 54.283 53.050 -0.054 0.000 0.856 410 N CB -0.715 37.717 38.487 -0.092 0.000 1.023 410 N HN 0.183 nan 8.380 nan 0.000 0.424 411 V N 1.247 121.087 119.914 -0.124 0.000 2.332 411 V HA -0.182 3.814 4.120 -0.207 0.000 0.248 411 V C 2.334 178.416 176.094 -0.020 0.000 1.055 411 V CA 1.167 63.423 62.300 -0.073 0.000 1.038 411 V CB -0.592 31.186 31.823 -0.076 0.000 0.651 411 V HN 0.290 nan 8.190 nan 0.000 0.450 412 L N -0.658 120.540 121.223 -0.042 0.000 1.989 412 L HA -0.225 3.991 4.340 -0.207 0.000 0.211 412 L C 2.317 179.203 176.870 0.026 0.000 1.071 412 L CA 2.096 56.920 54.840 -0.026 0.000 0.749 412 L CB -0.200 41.778 42.059 -0.136 0.000 0.890 412 L HN 0.280 nan 8.230 nan 0.000 0.431 413 I N -0.770 119.807 120.570 0.011 0.000 2.286 413 I HA -0.280 3.766 4.170 -0.207 0.000 0.245 413 I C 2.060 178.177 176.117 -0.000 0.000 1.104 413 I CA 1.648 62.962 61.300 0.022 0.000 1.397 413 I CB -0.076 37.804 38.000 -0.201 0.000 1.072 413 I HN 0.410 nan 8.210 nan 0.000 0.417 414 D N 0.507 120.882 120.400 -0.042 0.000 2.084 414 D HA -0.155 4.361 4.640 -0.207 0.000 0.194 414 D C 2.088 178.406 176.300 0.031 0.000 0.990 414 D CA 1.822 55.805 54.000 -0.028 0.000 0.826 414 D CB -0.432 40.336 40.800 -0.054 0.000 0.971 414 D HN 0.371 nan 8.370 nan 0.000 0.453 415 G N 0.127 108.961 108.800 0.056 0.000 2.402 415 G HA2 -0.201 3.634 3.960 -0.207 0.000 0.216 415 G HA3 -0.201 3.634 3.960 -0.207 0.000 0.216 415 G C 1.586 176.574 174.900 0.146 0.000 1.162 415 G CA 0.856 46.023 45.100 0.112 0.000 0.777 415 G HN 0.355 nan 8.290 nan 0.000 0.539 416 L N 1.786 123.089 121.223 0.132 0.000 2.109 416 L HA 0.021 4.237 4.340 -0.207 0.000 0.207 416 L C 3.110 180.080 176.870 0.167 0.000 1.086 416 L CA 2.274 57.211 54.840 0.162 0.000 0.760 416 L CB -0.507 41.669 42.059 0.196 0.000 0.910 416 L HN 0.328 nan 8.230 nan 0.000 0.437 417 S N -1.571 114.210 115.700 0.136 0.000 2.399 417 S HA -0.240 4.106 4.470 -0.207 0.000 0.231 417 S C 1.850 176.519 174.600 0.116 0.000 1.022 417 S CA 1.169 59.434 58.200 0.108 0.000 0.983 417 S CB -0.606 62.632 63.200 0.064 0.000 0.803 417 S HN 0.646 nan 8.310 nan 0.000 0.480 418 Q N 0.719 120.602 119.800 0.137 0.000 2.046 418 Q HA 0.107 4.322 4.340 -0.207 0.000 0.200 418 Q C 2.328 178.552 176.000 0.373 0.000 0.975 418 Q CA 1.385 57.302 55.803 0.190 0.000 0.836 418 Q CB -0.360 28.478 28.738 0.167 0.000 0.896 418 Q HN 0.545 nan 8.270 nan 0.000 0.428 419 L N 0.384 121.816 121.223 0.349 0.000 2.156 419 L HA -0.160 4.056 4.340 -0.207 0.000 0.208 419 L C 2.288 179.271 176.870 0.189 0.000 1.095 419 L CA 0.596 55.597 54.840 0.269 0.000 0.770 419 L CB -0.259 41.886 42.059 0.143 0.000 0.914 419 L HN 0.245 nan 8.230 nan 0.000 0.439 420 L N -0.164 121.161 121.223 0.171 0.000 2.042 420 L HA -0.179 4.037 4.340 -0.207 0.000 0.210 420 L C -0.218 176.721 176.870 0.116 0.000 1.076 420 L CA 1.506 56.428 54.840 0.137 0.000 0.749 420 L CB -1.580 40.557 42.059 0.131 0.000 0.893 420 L HN 0.232 nan 8.230 nan 0.000 0.432 421 P HA -0.126 nan 4.420 nan 0.000 0.218 421 P C 1.833 179.201 177.300 0.114 0.000 1.148 421 P CA 1.043 64.209 63.100 0.111 0.000 0.822 421 P CB 0.115 31.887 31.700 0.120 0.000 0.784 422 V N -0.389 119.611 119.914 0.143 0.000 2.255 422 V HA -0.194 3.802 4.120 -0.207 0.000 0.243 422 V C 2.350 178.480 176.094 0.060 0.000 1.038 422 V CA 1.476 63.844 62.300 0.112 0.000 1.008 422 V CB -1.051 30.847 31.823 0.123 0.000 0.645 422 V HN 0.018 nan 8.190 nan 0.000 0.449 423 I N 0.035 120.637 120.570 0.053 0.000 2.248 423 I HA -0.287 3.759 4.170 -0.207 0.000 0.248 423 I C 2.520 178.660 176.117 0.038 0.000 1.107 423 I CA 1.344 62.667 61.300 0.039 0.000 1.373 423 I CB -0.314 37.721 38.000 0.059 0.000 1.055 423 I HN 0.362 nan 8.210 nan 0.000 0.418 424 Q N 0.462 120.289 119.800 0.045 0.000 2.435 424 Q HA -0.067 4.149 4.340 -0.207 0.000 0.207 424 Q C 1.498 177.512 176.000 0.023 0.000 0.956 424 Q CA 0.976 56.798 55.803 0.032 0.000 0.917 424 Q CB 0.003 28.762 28.738 0.034 0.000 0.997 424 Q HN 0.525 nan 8.270 nan 0.000 0.497 425 K N 0.410 120.825 120.400 0.026 0.000 2.358 425 K HA 0.077 4.273 4.320 -0.207 0.000 0.200 425 K C 0.758 177.357 176.600 -0.003 0.000 1.030 425 K CA 0.068 56.363 56.287 0.014 0.000 1.097 425 K CB 0.743 33.257 32.500 0.024 0.000 0.862 425 K HN 0.188 nan 8.250 nan 0.000 0.534 426 T N -1.476 113.078 114.554 -0.000 0.000 2.770 426 T HA 0.093 4.319 4.350 -0.207 0.000 0.281 426 T C 1.133 175.824 174.700 -0.016 0.000 0.981 426 T CA -0.552 61.540 62.100 -0.014 0.000 0.955 426 T CB 1.280 70.149 68.868 0.001 0.000 1.060 426 T HN -0.027 nan 8.240 nan 0.000 0.531 427 K N -0.047 120.341 120.400 -0.021 0.000 2.442 427 K HA -0.025 4.171 4.320 -0.207 0.000 0.198 427 K C 0.105 176.703 176.600 -0.003 0.000 1.042 427 K CA 0.899 57.177 56.287 -0.015 0.000 0.958 427 K CB -0.352 32.139 32.500 -0.015 0.000 0.766 427 K HN 0.659 nan 8.250 nan 0.000 0.474 428 N N 1.759 120.462 118.700 0.004 0.000 2.644 428 N HA 0.186 4.802 4.740 -0.207 0.000 0.313 428 N C -2.740 172.778 175.510 0.014 0.000 1.863 428 N CA -1.318 51.738 53.050 0.010 0.000 0.918 428 N CB 1.282 39.779 38.487 0.016 0.000 1.320 428 N HN 0.128 nan 8.380 nan 0.000 0.490 429 P HA 0.051 nan 4.420 nan 0.000 0.270 429 P C -0.057 177.247 177.300 0.005 0.000 1.223 429 P CA 0.087 63.192 63.100 0.009 0.000 0.785 429 P CB 1.336 33.036 31.700 0.001 0.000 0.923 430 I N 1.471 122.043 120.570 0.004 0.000 2.472 430 I HA 0.135 4.181 4.170 -0.207 0.000 0.290 430 I C 0.720 176.790 176.117 -0.079 0.000 1.016 430 I CA -0.495 60.791 61.300 -0.023 0.000 1.348 430 I CB 0.332 38.331 38.000 -0.002 0.000 1.417 430 I HN 0.168 nan 8.210 nan 0.000 0.521 431 D N 4.946 125.286 120.400 -0.100 0.000 2.414 431 D HA 0.020 4.536 4.640 -0.207 0.000 0.242 431 D C 0.831 177.033 176.300 -0.163 0.000 1.129 431 D CA -0.016 53.920 54.000 -0.107 0.000 0.885 431 D CB 0.956 41.702 40.800 -0.090 0.000 1.198 431 D HN 0.319 nan 8.370 nan 0.000 0.437 432 K N 1.237 121.566 120.400 -0.119 0.000 2.002 432 K HA -0.133 4.063 4.320 -0.207 0.000 0.209 432 K C 1.386 177.893 176.600 -0.154 0.000 1.048 432 K CA 1.372 57.586 56.287 -0.122 0.000 0.930 432 K CB -0.099 32.363 32.500 -0.063 0.000 0.714 432 K HN 0.571 nan 8.250 nan 0.000 0.438 433 D N -0.048 120.279 120.400 -0.121 0.000 2.264 433 D HA -0.184 4.332 4.640 -0.207 0.000 0.208 433 D C 0.961 177.161 176.300 -0.167 0.000 0.966 433 D CA 0.934 54.868 54.000 -0.110 0.000 0.864 433 D CB -0.011 40.748 40.800 -0.069 0.000 0.933 433 D HN 0.243 nan 8.370 nan 0.000 0.499 434 K N -0.060 120.203 120.400 -0.228 0.000 2.243 434 K HA 0.114 4.310 4.320 -0.207 0.000 0.201 434 K C 2.130 178.325 176.600 -0.675 0.000 1.051 434 K CA 0.393 56.497 56.287 -0.305 0.000 0.970 434 K CB 0.030 32.398 32.500 -0.220 0.000 0.755 434 K HN 0.189 nan 8.250 nan 0.000 0.465 435 M N 0.874 120.012 119.600 -0.770 0.000 2.595 435 M HA -0.009 4.347 4.480 -0.207 0.000 0.248 435 M C 1.598 177.545 176.300 -0.588 0.000 1.119 435 M CA 0.585 55.299 55.300 -0.976 0.000 1.079 435 M CB 0.186 32.394 32.600 -0.654 0.000 1.472 435 M HN 0.001 nan 8.290 nan 0.000 0.501 436 Q N 0.183 119.761 119.800 -0.369 0.000 2.234 436 Q HA -0.119 4.097 4.340 -0.207 0.000 0.206 436 Q C 1.847 177.678 176.000 -0.282 0.000 0.980 436 Q CA 1.570 57.246 55.803 -0.211 0.000 0.869 436 Q CB -0.566 28.133 28.738 -0.066 0.000 0.912 436 Q HN 0.489 nan 8.270 nan 0.000 0.436 437 T N 1.006 115.357 114.554 -0.339 0.000 2.849 437 T HA -0.130 4.096 4.350 -0.207 0.000 0.270 437 T C 1.858 176.000 174.700 -0.929 0.000 1.066 437 T CA 1.007 62.862 62.100 -0.408 0.000 1.130 437 T CB -0.133 68.615 68.868 -0.200 0.000 0.864 437 T HN 0.290 nan 8.240 nan 0.000 0.481 438 M N 0.112 119.039 119.600 -1.121 0.000 2.149 438 M HA -0.121 4.234 4.480 -0.207 0.000 0.261 438 M C 1.912 177.790 176.300 -0.703 0.000 1.064 438 M CA 1.788 56.269 55.300 -1.366 0.000 1.102 438 M CB -0.582 31.457 32.600 -0.936 0.000 1.369 438 M HN 0.314 nan 8.290 nan 0.000 0.408 439 Y N -1.384 118.747 120.300 -0.281 0.000 2.352 439 Y HA -0.188 4.238 4.550 -0.207 0.000 0.292 439 Y C 2.497 178.356 175.900 -0.068 0.000 1.136 439 Y CA 1.055 59.082 58.100 -0.121 0.000 1.227 439 Y CB -1.291 37.116 38.460 -0.089 0.000 0.991 439 Y HN 0.357 nan 8.280 nan 0.000 0.545 440 H N -0.350 118.668 119.070 -0.087 0.000 2.290 440 H HA -0.222 4.209 4.556 -0.207 0.000 0.298 440 H C 1.567 176.931 175.328 0.060 0.000 1.087 440 H CA 2.374 58.406 56.048 -0.026 0.000 1.291 440 H CB -0.273 29.458 29.762 -0.052 0.000 1.369 440 H HN 0.311 nan 8.280 nan 0.000 0.492 441 W N 0.988 122.268 121.300 -0.034 0.000 2.317 441 W HA -0.173 4.363 4.660 -0.208 0.000 0.318 441 W C 2.798 179.366 176.519 0.082 0.000 1.227 441 W CA 0.445 57.661 57.345 -0.216 0.000 1.269 441 W CB -1.365 27.838 29.460 -0.427 0.000 1.155 441 W HN 0.223 nan 8.180 nan 0.000 0.484 442 I N 0.194 120.988 120.570 0.374 0.000 2.163 442 I HA -0.300 3.746 4.170 -0.207 0.000 0.243 442 I C 2.108 178.333 176.117 0.180 0.000 1.085 442 I CA 1.762 63.255 61.300 0.322 0.000 1.347 442 I CB -0.537 37.576 38.000 0.188 0.000 1.044 442 I HN -0.122 nan 8.210 nan 0.000 0.408 443 D N 0.373 120.817 120.400 0.074 0.000 2.162 443 D HA -0.084 4.432 4.640 -0.207 0.000 0.205 443 D C 2.185 178.448 176.300 -0.062 0.000 0.964 443 D CA 0.963 54.953 54.000 -0.017 0.000 0.847 443 D CB -0.059 40.715 40.800 -0.044 0.000 0.988 443 D HN 0.188 nan 8.370 nan 0.000 0.480 444 K N 0.290 120.623 120.400 -0.111 0.000 2.166 444 K HA 0.161 4.357 4.320 -0.207 0.000 0.201 444 K C 2.078 178.747 176.600 0.115 0.000 1.052 444 K CA 0.378 56.607 56.287 -0.097 0.000 0.969 444 K CB 0.330 32.625 32.500 -0.342 0.000 0.761 444 K HN -0.050 nan 8.250 nan 0.000 0.459 445 S N -0.041 115.701 115.700 0.069 0.000 2.452 445 S HA 0.131 4.477 4.470 -0.207 0.000 0.225 445 S C 1.694 176.191 174.600 -0.173 0.000 1.057 445 S CA 0.304 58.476 58.200 -0.047 0.000 0.949 445 S CB -0.067 63.039 63.200 -0.156 0.000 0.836 445 S HN 0.078 nan 8.310 nan 0.000 0.518 446 F N 1.993 121.977 119.950 0.058 0.000 2.188 446 F HA 0.336 4.740 4.527 -0.206 0.000 0.289 446 F C 2.602 178.381 175.800 -0.035 0.000 1.082 446 F CA 0.536 58.539 58.000 0.005 0.000 1.282 446 F CB -1.030 37.980 39.000 0.015 0.000 1.060 446 F HN 0.143 nan 8.300 nan 0.000 0.493 447 A N 0.761 123.661 122.820 0.133 0.000 1.892 447 A HA -0.177 4.019 4.320 -0.207 0.000 0.218 447 A C -0.294 177.195 177.584 -0.158 0.000 1.188 447 A CA 2.028 54.044 52.037 -0.034 0.000 0.631 447 A CB -2.107 16.835 19.000 -0.097 0.000 0.822 447 A HN 0.240 nan 8.150 nan 0.000 0.447 448 P HA -0.054 nan 4.420 nan 0.000 0.222 448 P C 0.934 178.290 177.300 0.093 0.000 1.147 448 P CA 0.739 63.681 63.100 -0.264 0.000 0.790 448 P CB -0.074 31.599 31.700 -0.044 0.000 0.780 449 L N -1.862 119.404 121.223 0.072 0.000 2.612 449 L HA 0.105 4.321 4.340 -0.207 0.000 0.230 449 L C 0.573 177.394 176.870 -0.082 0.000 1.140 449 L CA 0.027 54.877 54.840 0.016 0.000 0.896 449 L CB -0.298 41.747 42.059 -0.023 0.000 1.065 449 L HN -0.046 nan 8.230 nan 0.000 0.447 450 L N 0.632 121.811 121.223 -0.074 0.000 2.294 450 L HA 0.429 4.645 4.340 -0.207 0.000 0.283 450 L C -0.836 175.929 176.870 -0.174 0.000 1.015 450 L CA -0.386 54.375 54.840 -0.132 0.000 0.831 450 L CB 1.925 43.931 42.059 -0.088 0.000 1.217 450 L HN -0.240 nan 8.230 nan 0.000 0.420 451 V N 3.512 123.264 119.914 -0.270 0.000 2.443 451 V HA 0.310 4.306 4.120 -0.207 0.000 0.293 451 V C 0.056 176.042 176.094 -0.179 0.000 1.021 451 V CA -0.799 61.337 62.300 -0.274 0.000 0.848 451 V CB 1.423 33.047 31.823 -0.332 0.000 0.998 451 V HN 0.853 nan 8.190 nan 0.000 0.424 452 N N 4.044 122.686 118.700 -0.098 0.000 2.721 452 N HA -0.226 4.390 4.740 -0.207 0.000 0.249 452 N C 1.189 176.727 175.510 0.046 0.000 1.072 452 N CA 1.558 54.627 53.050 0.032 0.000 0.710 452 N CB -0.905 37.669 38.487 0.145 0.000 0.993 452 N HN 1.563 nan 8.380 nan 0.000 0.547 453 G N -0.671 108.096 108.800 -0.055 0.000 2.176 453 G HA2 -0.327 3.509 3.960 -0.207 0.000 0.253 453 G HA3 -0.327 3.509 3.960 -0.207 0.000 0.253 453 G C -0.219 174.494 174.900 -0.311 0.000 0.979 453 G CA 0.587 45.657 45.100 -0.051 0.000 0.641 453 G HN 0.640 nan 8.290 nan 0.000 0.530 454 E N -0.188 119.710 120.200 -0.503 0.000 2.179 454 E HA 0.617 4.843 4.350 -0.207 0.000 0.275 454 E C -0.518 175.878 176.600 -0.339 0.000 0.945 454 E CA -1.073 54.958 56.400 -0.615 0.000 0.792 454 E CB 0.999 30.327 29.700 -0.620 0.000 1.125 454 E HN 0.186 nan 8.360 nan 0.000 0.397 455 L N 5.467 126.554 121.223 -0.227 0.000 2.260 455 L HA 0.314 4.530 4.340 -0.207 0.000 0.289 455 L C -0.316 176.453 176.870 -0.167 0.000 1.057 455 L CA 0.026 54.769 54.840 -0.161 0.000 0.811 455 L CB 0.741 42.746 42.059 -0.089 0.000 1.184 455 L HN 0.727 nan 8.230 nan 0.000 0.429 456 M N 4.456 123.917 119.600 -0.231 0.000 2.327 456 M HA -0.050 4.306 4.480 -0.207 0.000 0.353 456 M C 0.829 176.987 176.300 -0.237 0.000 1.539 456 M CA 0.081 55.217 55.300 -0.273 0.000 1.039 456 M CB 0.179 32.612 32.600 -0.279 0.000 1.967 456 M HN 0.600 nan 8.290 nan 0.000 0.459 457 D N 3.374 123.628 120.400 -0.243 0.000 2.190 457 D HA -0.196 4.320 4.640 -0.207 0.000 0.200 457 D C 1.737 177.922 176.300 -0.192 0.000 0.992 457 D CA 1.707 55.630 54.000 -0.128 0.000 0.854 457 D CB -0.157 40.757 40.800 0.190 0.000 0.936 457 D HN 0.724 nan 8.370 nan 0.000 0.462 458 M N 0.124 119.499 119.600 -0.375 0.000 2.539 458 M HA -0.056 4.299 4.480 -0.207 0.000 0.261 458 M C 1.582 177.789 176.300 -0.156 0.000 1.069 458 M CA 1.463 56.651 55.300 -0.186 0.000 1.081 458 M CB -0.321 32.172 32.600 -0.178 0.000 1.412 458 M HN -0.066 nan 8.290 nan 0.000 0.482 459 S N -0.656 114.944 115.700 -0.168 0.000 2.540 459 S HA 0.257 4.603 4.470 -0.207 0.000 0.218 459 S C 1.568 176.120 174.600 -0.081 0.000 0.977 459 S CA -0.641 57.475 58.200 -0.140 0.000 0.918 459 S CB -0.134 62.976 63.200 -0.150 0.000 0.806 459 S HN 0.684 nan 8.310 nan 0.000 0.496 460 R N 0.928 121.372 120.500 -0.093 0.000 2.397 460 R HA 0.354 4.570 4.340 -0.207 0.000 0.241 460 R C 1.631 177.936 176.300 0.008 0.000 0.914 460 R CA 0.262 56.358 56.100 -0.006 0.000 1.071 460 R CB 0.007 30.277 30.300 -0.049 0.000 1.116 460 R HN 0.466 nan 8.270 nan 0.000 0.524 461 G N 3.140 111.791 108.800 -0.248 0.000 2.634 461 G HA2 -0.454 3.382 3.960 -0.207 0.000 0.309 461 G HA3 -0.454 3.382 3.960 -0.207 0.000 0.309 461 G C 0.727 175.552 174.900 -0.126 0.000 1.265 461 G CA 0.824 45.695 45.100 -0.382 0.000 0.998 461 G HN 0.502 nan 8.290 nan 0.000 0.551 462 R N 0.213 120.738 120.500 0.041 0.000 2.307 462 R HA 0.266 4.482 4.340 -0.207 0.000 0.199 462 R C 2.240 178.513 176.300 -0.046 0.000 1.000 462 R CA 1.696 57.797 56.100 0.002 0.000 1.023 462 R CB -0.301 30.050 30.300 0.084 0.000 0.908 462 R HN 0.308 nan 8.270 nan 0.000 0.473 463 S N 2.016 117.697 115.700 -0.033 0.000 2.474 463 S HA -0.053 4.293 4.470 -0.207 0.000 0.235 463 S C 1.890 176.422 174.600 -0.113 0.000 0.997 463 S CA 1.171 59.321 58.200 -0.083 0.000 0.949 463 S CB -0.367 62.780 63.200 -0.088 0.000 0.766 463 S HN 0.582 nan 8.310 nan 0.000 0.517 464 I N 0.919 121.359 120.570 -0.215 0.000 2.567 464 I HA -0.086 3.960 4.170 -0.207 0.000 0.257 464 I C 1.747 177.758 176.117 -0.175 0.000 1.184 464 I CA 1.359 62.422 61.300 -0.395 0.000 1.451 464 I CB -0.588 36.753 38.000 -1.098 0.000 1.089 464 I HN 0.243 nan 8.210 nan 0.000 0.441 465 S N 0.509 116.172 115.700 -0.062 0.000 2.634 465 S HA 0.268 4.614 4.470 -0.207 0.000 0.221 465 S C 0.622 175.366 174.600 0.240 0.000 0.952 465 S CA -0.652 57.653 58.200 0.175 0.000 0.930 465 S CB -0.274 62.950 63.200 0.040 0.000 0.780 465 S HN 0.480 nan 8.310 nan 0.000 0.498 466 R N 0.563 121.086 120.500 0.039 0.000 2.310 466 R HA 0.605 4.821 4.340 -0.207 0.000 0.324 466 R C 1.062 177.003 176.300 -0.598 0.000 0.955 466 R CA 0.067 56.042 56.100 -0.208 0.000 0.830 466 R CB 1.222 31.418 30.300 -0.172 0.000 1.154 466 R HN 0.264 nan 8.270 nan 0.000 0.458 467 A N 3.550 125.664 122.820 -1.175 0.000 1.978 467 A HA -0.225 3.971 4.320 -0.207 0.000 0.220 467 A C 1.485 178.674 177.584 -0.659 0.000 1.170 467 A CA 1.728 52.756 52.037 -1.682 0.000 0.636 467 A CB -0.580 17.347 19.000 -1.789 0.000 0.810 467 A HN 0.952 nan 8.150 nan 0.000 0.448 468 N N -1.608 116.843 118.700 -0.414 0.000 2.449 468 N HA 0.049 4.665 4.740 -0.207 0.000 0.191 468 N C -0.022 175.396 175.510 -0.154 0.000 1.161 468 N CA 0.668 53.587 53.050 -0.218 0.000 0.863 468 N CB 0.139 38.526 38.487 -0.168 0.000 0.980 468 N HN 0.162 nan 8.380 nan 0.000 0.458 469 S N 0.176 115.779 115.700 -0.162 0.000 2.794 469 S HA 0.130 4.476 4.470 -0.207 0.000 0.244 469 S C -0.509 174.075 174.600 -0.025 0.000 1.045 469 S CA -0.649 57.490 58.200 -0.101 0.000 1.114 469 S CB 0.458 63.587 63.200 -0.118 0.000 1.085 469 S HN 0.313 nan 8.310 nan 0.000 0.488 470 E N 0.505 120.723 120.200 0.031 0.000 2.410 470 E HA 0.219 4.445 4.350 -0.207 0.000 0.255 470 E C 1.523 178.193 176.600 0.117 0.000 1.194 470 E CA -0.005 56.501 56.400 0.176 0.000 0.955 470 E CB 0.334 30.201 29.700 0.278 0.000 0.988 470 E HN 0.365 nan 8.360 nan 0.000 0.461 471 G N 0.173 109.100 108.800 0.212 0.000 2.432 471 G HA2 -0.249 3.587 3.960 -0.207 0.000 0.219 471 G HA3 -0.249 3.587 3.960 -0.207 0.000 0.219 471 G C 1.026 175.928 174.900 0.004 0.000 1.135 471 G CA 0.669 45.835 45.100 0.110 0.000 0.767 471 G HN 0.560 nan 8.290 nan 0.000 0.550 472 H N -0.450 118.585 119.070 -0.058 0.000 2.470 472 H HA 0.037 4.469 4.556 -0.207 0.000 0.289 472 H C 2.684 177.712 175.328 -0.501 0.000 1.033 472 H CA 0.860 56.792 56.048 -0.193 0.000 1.331 472 H CB 0.310 29.998 29.762 -0.123 0.000 1.414 472 H HN 0.243 nan 8.280 nan 0.000 0.545 473 V N 1.173 120.812 119.914 -0.459 0.000 2.323 473 V HA -0.195 3.800 4.120 -0.207 0.000 0.244 473 V C 2.854 178.861 176.094 -0.145 0.000 1.041 473 V CA 1.469 63.527 62.300 -0.403 0.000 1.025 473 V CB -0.894 30.775 31.823 -0.257 0.000 0.656 473 V HN 0.423 nan 8.190 nan 0.000 0.451 474 A N 0.336 123.090 122.820 -0.110 0.000 1.908 474 A HA -0.153 4.043 4.320 -0.207 0.000 0.218 474 A C 2.442 179.982 177.584 -0.075 0.000 1.181 474 A CA 2.158 54.147 52.037 -0.082 0.000 0.627 474 A CB -0.871 18.090 19.000 -0.065 0.000 0.818 474 A HN 0.593 nan 8.150 nan 0.000 0.445 475 A N -0.462 122.311 122.820 -0.080 0.000 1.986 475 A HA -0.064 4.132 4.320 -0.207 0.000 0.220 475 A C 2.168 179.720 177.584 -0.053 0.000 1.171 475 A CA 1.922 53.916 52.037 -0.071 0.000 0.640 475 A CB -0.938 18.008 19.000 -0.090 0.000 0.811 475 A HN 0.489 nan 8.150 nan 0.000 0.451 476 V N 0.140 120.040 119.914 -0.024 0.000 2.490 476 V HA -0.268 3.728 4.120 -0.207 0.000 0.250 476 V C 2.260 178.328 176.094 -0.043 0.000 1.061 476 V CA 2.083 64.380 62.300 -0.003 0.000 1.064 476 V CB -0.978 30.886 31.823 0.068 0.000 0.670 476 V HN 0.655 nan 8.190 nan 0.000 0.461 477 E N 0.256 120.420 120.200 -0.060 0.000 2.085 477 E HA -0.195 4.031 4.350 -0.207 0.000 0.194 477 E C 2.243 178.770 176.600 -0.122 0.000 0.994 477 E CA 1.679 58.029 56.400 -0.084 0.000 0.801 477 E CB -0.277 29.369 29.700 -0.090 0.000 0.743 477 E HN 0.507 nan 8.360 nan 0.000 0.453 478 V N 1.357 121.183 119.914 -0.148 0.000 2.323 478 V HA -0.212 3.784 4.120 -0.207 0.000 0.244 478 V C 2.322 178.301 176.094 -0.191 0.000 1.041 478 V CA 1.300 63.449 62.300 -0.252 0.000 1.025 478 V CB -0.434 31.240 31.823 -0.249 0.000 0.656 478 V HN 0.230 nan 8.190 nan 0.000 0.451 479 L N 0.612 121.767 121.223 -0.114 0.000 2.046 479 L HA -0.191 4.025 4.340 -0.207 0.000 0.208 479 L C 2.859 179.708 176.870 -0.036 0.000 1.077 479 L CA 2.075 56.870 54.840 -0.075 0.000 0.747 479 L CB -0.684 41.342 42.059 -0.055 0.000 0.896 479 L HN 0.441 nan 8.230 nan 0.000 0.432 480 R N 0.175 120.651 120.500 -0.041 0.000 2.115 480 R HA -0.050 4.166 4.340 -0.207 0.000 0.226 480 R C 2.164 178.452 176.300 -0.020 0.000 1.100 480 R CA 1.252 57.341 56.100 -0.018 0.000 0.980 480 R CB -0.997 29.277 30.300 -0.044 0.000 0.875 480 R HN 0.242 nan 8.270 nan 0.000 0.445 481 G N 2.170 110.933 108.800 -0.062 0.000 2.421 481 G HA2 -0.203 3.633 3.960 -0.207 0.000 0.216 481 G HA3 -0.203 3.633 3.960 -0.207 0.000 0.216 481 G C 1.544 176.430 174.900 -0.024 0.000 1.171 481 G CA 0.997 46.062 45.100 -0.058 0.000 0.775 481 G HN 0.241 nan 8.290 nan 0.000 0.543 482 I N -0.134 120.410 120.570 -0.045 0.000 2.208 482 I HA -0.198 3.848 4.170 -0.207 0.000 0.245 482 I C 2.564 178.729 176.117 0.081 0.000 1.097 482 I CA 1.239 62.540 61.300 0.002 0.000 1.363 482 I CB -0.311 37.668 38.000 -0.036 0.000 1.051 482 I HN 0.132 nan 8.210 nan 0.000 0.413 483 H N 1.562 120.609 119.070 -0.039 0.000 2.423 483 H HA -0.023 4.410 4.556 -0.206 0.000 0.297 483 H C 2.297 177.614 175.328 -0.019 0.000 1.075 483 H CA 1.455 57.484 56.048 -0.031 0.000 1.342 483 H CB 0.069 29.802 29.762 -0.049 0.000 1.395 483 H HN 0.214 nan 8.280 nan 0.000 0.530 484 R N -0.523 120.025 120.500 0.080 0.000 2.073 484 R HA -0.020 4.196 4.340 -0.207 0.000 0.229 484 R C 2.592 178.929 176.300 0.063 0.000 1.120 484 R CA 1.366 57.479 56.100 0.021 0.000 0.967 484 R CB -0.092 30.212 30.300 0.006 0.000 0.862 484 R HN 0.282 nan 8.270 nan 0.000 0.436 485 I N 0.744 121.363 120.570 0.081 0.000 2.226 485 I HA -0.273 3.773 4.170 -0.207 0.000 0.245 485 I C 2.601 178.800 176.117 0.136 0.000 1.100 485 I CA 1.232 62.591 61.300 0.099 0.000 1.374 485 I CB -0.408 37.645 38.000 0.088 0.000 1.057 485 I HN 0.201 nan 8.210 nan 0.000 0.413 486 A N 0.393 123.295 122.820 0.137 0.000 1.908 486 A HA -0.332 3.864 4.320 -0.207 0.000 0.218 486 A C 2.008 179.654 177.584 0.103 0.000 1.181 486 A CA 2.479 54.588 52.037 0.120 0.000 0.627 486 A CB -0.809 18.263 19.000 0.120 0.000 0.818 486 A HN 0.446 nan 8.150 nan 0.000 0.445 487 D N -0.277 120.184 120.400 0.103 0.000 2.218 487 D HA -0.145 4.371 4.640 -0.207 0.000 0.204 487 D C 1.985 178.315 176.300 0.050 0.000 0.976 487 D CA 1.615 55.650 54.000 0.057 0.000 0.853 487 D CB -0.199 40.605 40.800 0.006 0.000 0.939 487 D HN 0.639 nan 8.370 nan 0.000 0.481 488 M N -1.748 117.890 119.600 0.064 0.000 2.495 488 M HA 0.247 4.603 4.480 -0.207 0.000 0.237 488 M C 0.336 176.679 176.300 0.071 0.000 1.131 488 M CA -0.053 55.285 55.300 0.062 0.000 1.032 488 M CB 0.697 33.335 32.600 0.063 0.000 1.513 488 M HN -0.283 nan 8.290 nan 0.000 0.488 489 S N 1.546 117.295 115.700 0.082 0.000 2.719 489 S HA 0.503 4.849 4.470 -0.207 0.000 0.285 489 S C -0.197 174.422 174.600 0.031 0.000 1.137 489 S CA -0.834 57.412 58.200 0.076 0.000 1.012 489 S CB 1.084 64.335 63.200 0.085 0.000 1.134 489 S HN 0.542 nan 8.310 nan 0.000 0.544 490 E N -0.873 119.327 120.200 0.001 0.000 2.408 490 E HA 0.581 4.807 4.350 -0.207 0.000 0.275 490 E C 0.294 176.876 176.600 -0.029 0.000 0.935 490 E CA -0.783 55.613 56.400 -0.008 0.000 0.775 490 E CB 1.117 30.816 29.700 -0.003 0.000 1.277 490 E HN 0.797 nan 8.360 nan 0.000 0.455 491 G N 2.447 111.234 108.800 -0.023 0.000 2.591 491 G HA2 -0.458 3.378 3.960 -0.207 0.000 0.298 491 G HA3 -0.458 3.378 3.960 -0.207 0.000 0.298 491 G C 0.765 175.640 174.900 -0.043 0.000 1.195 491 G CA 0.821 45.903 45.100 -0.030 0.000 0.989 491 G HN 0.694 nan 8.290 nan 0.000 0.551 492 E N -0.877 119.289 120.200 -0.056 0.000 2.152 492 E HA 0.028 4.254 4.350 -0.207 0.000 0.192 492 E C 2.706 179.249 176.600 -0.094 0.000 0.983 492 E CA 1.782 58.144 56.400 -0.065 0.000 0.818 492 E CB -0.178 29.484 29.700 -0.063 0.000 0.758 492 E HN 0.537 nan 8.360 nan 0.000 0.467 493 T N -0.114 114.361 114.554 -0.131 0.000 2.812 493 T HA -0.151 4.075 4.350 -0.207 0.000 0.264 493 T C 1.838 176.449 174.700 -0.149 0.000 1.042 493 T CA 1.611 63.583 62.100 -0.214 0.000 1.140 493 T CB -0.136 68.509 68.868 -0.371 0.000 0.870 493 T HN 0.079 nan 8.240 nan 0.000 0.445 494 K N 0.090 120.439 120.400 -0.084 0.000 2.009 494 K HA -0.144 4.052 4.320 -0.207 0.000 0.210 494 K C 2.534 179.113 176.600 -0.034 0.000 1.049 494 K CA 1.516 57.784 56.287 -0.032 0.000 0.929 494 K CB -0.275 32.222 32.500 -0.004 0.000 0.714 494 K HN 0.369 nan 8.250 nan 0.000 0.440 495 Q N 0.705 120.481 119.800 -0.041 0.000 2.124 495 Q HA -0.197 4.019 4.340 -0.207 0.000 0.202 495 Q C 2.206 178.175 176.000 -0.051 0.000 0.977 495 Q CA 1.872 57.652 55.803 -0.038 0.000 0.850 495 Q CB -0.010 28.709 28.738 -0.032 0.000 0.901 495 Q HN 0.458 nan 8.270 nan 0.000 0.429 496 R N -0.388 120.074 120.500 -0.063 0.000 2.115 496 R HA -0.064 4.152 4.340 -0.207 0.000 0.226 496 R C 2.141 178.402 176.300 -0.066 0.000 1.100 496 R CA 1.035 57.096 56.100 -0.064 0.000 0.980 496 R CB -0.480 29.776 30.300 -0.074 0.000 0.875 496 R HN 0.204 nan 8.270 nan 0.000 0.445 497 L N 0.751 121.934 121.223 -0.066 0.000 2.109 497 L HA -0.077 4.139 4.340 -0.207 0.000 0.207 497 L C 2.718 179.533 176.870 -0.091 0.000 1.086 497 L CA 1.334 56.143 54.840 -0.052 0.000 0.760 497 L CB -0.452 41.603 42.059 -0.007 0.000 0.910 497 L HN 0.334 nan 8.230 nan 0.000 0.437 498 Q N -0.525 119.214 119.800 -0.102 0.000 2.096 498 Q HA -0.192 4.024 4.340 -0.207 0.000 0.204 498 Q C 2.411 178.317 176.000 -0.157 0.000 0.982 498 Q CA 1.843 57.537 55.803 -0.181 0.000 0.850 498 Q CB -0.107 28.566 28.738 -0.108 0.000 0.901 498 Q HN 0.401 nan 8.270 nan 0.000 0.422 499 S N 0.846 116.489 115.700 -0.096 0.000 2.383 499 S HA -0.124 4.222 4.470 -0.207 0.000 0.227 499 S C 1.787 176.344 174.600 -0.071 0.000 1.026 499 S CA 0.771 58.928 58.200 -0.071 0.000 0.981 499 S CB -0.192 62.980 63.200 -0.048 0.000 0.818 499 S HN 0.244 nan 8.310 nan 0.000 0.472 500 L N 1.875 123.053 121.223 -0.075 0.000 2.017 500 L HA -0.024 4.192 4.340 -0.207 0.000 0.208 500 L C 2.166 178.984 176.870 -0.086 0.000 1.073 500 L CA 1.657 56.455 54.840 -0.069 0.000 0.745 500 L CB -0.796 41.227 42.059 -0.059 0.000 0.894 500 L HN 0.121 nan 8.230 nan 0.000 0.432 501 V N 0.022 119.861 119.914 -0.126 0.000 2.343 501 V HA -0.320 3.676 4.120 -0.207 0.000 0.247 501 V C 2.667 178.686 176.094 -0.125 0.000 1.051 501 V CA 2.188 64.399 62.300 -0.148 0.000 1.036 501 V CB -0.780 30.886 31.823 -0.262 0.000 0.654 501 V HN 0.542 nan 8.190 nan 0.000 0.451 502 K N -0.406 119.918 120.400 -0.127 0.000 2.025 502 K HA -0.204 3.992 4.320 -0.207 0.000 0.207 502 K C 2.365 178.937 176.600 -0.045 0.000 1.049 502 K CA 1.953 58.190 56.287 -0.083 0.000 0.933 502 K CB -0.373 32.084 32.500 -0.073 0.000 0.714 502 K HN 0.441 nan 8.250 nan 0.000 0.438 503 T N 0.535 115.064 114.554 -0.041 0.000 2.821 503 T HA -0.033 4.193 4.350 -0.207 0.000 0.267 503 T C 1.810 176.500 174.700 -0.017 0.000 1.046 503 T CA 1.109 63.198 62.100 -0.018 0.000 1.139 503 T CB -0.123 68.738 68.868 -0.013 0.000 0.871 503 T HN 0.218 nan 8.240 nan 0.000 0.454 504 I N 0.562 121.111 120.570 -0.035 0.000 2.179 504 I HA -0.126 3.920 4.170 -0.207 0.000 0.242 504 I C 2.503 178.619 176.117 -0.003 0.000 1.088 504 I CA 0.953 62.233 61.300 -0.032 0.000 1.357 504 I CB -0.353 37.616 38.000 -0.052 0.000 1.051 504 I HN 0.126 nan 8.210 nan 0.000 0.409 505 V N 0.475 120.381 119.914 -0.013 0.000 2.343 505 V HA -0.304 3.692 4.120 -0.207 0.000 0.247 505 V C 2.370 178.482 176.094 0.030 0.000 1.051 505 V CA 1.845 64.147 62.300 0.003 0.000 1.036 505 V CB -0.729 31.068 31.823 -0.043 0.000 0.654 505 V HN 0.488 nan 8.190 nan 0.000 0.451 506 Q N 0.159 119.972 119.800 0.021 0.000 2.291 506 Q HA -0.134 4.082 4.340 -0.207 0.000 0.205 506 Q C 2.376 178.409 176.000 0.056 0.000 0.970 506 Q CA 1.593 57.418 55.803 0.037 0.000 0.876 506 Q CB -0.232 28.522 28.738 0.027 0.000 0.935 506 Q HN 0.802 nan 8.270 nan 0.000 0.455 507 S N 0.178 115.912 115.700 0.057 0.000 2.481 507 S HA -0.088 4.258 4.470 -0.207 0.000 0.231 507 S C 0.671 175.343 174.600 0.120 0.000 0.996 507 S CA 0.322 58.569 58.200 0.078 0.000 0.942 507 S CB 0.123 63.356 63.200 0.055 0.000 0.768 507 S HN 0.105 nan 8.310 nan 0.000 0.520 508 D N 2.364 122.846 120.400 0.136 0.000 2.441 508 D HA 0.293 4.809 4.640 -0.207 0.000 0.221 508 D C 0.907 177.318 176.300 0.185 0.000 1.156 508 D CA 0.018 54.149 54.000 0.218 0.000 0.896 508 D CB 1.175 42.139 40.800 0.274 0.000 1.028 508 D HN 0.377 nan 8.370 nan 0.000 0.509 509 S N 2.751 118.565 115.700 0.190 0.000 2.558 509 S HA -0.097 4.248 4.470 -0.207 0.000 0.217 509 S C 1.524 176.224 174.600 0.166 0.000 0.975 509 S CA -0.131 58.158 58.200 0.148 0.000 0.912 509 S CB -0.188 63.090 63.200 0.131 0.000 0.776 509 S HN 0.577 nan 8.310 nan 0.000 0.526 510 Y N 1.089 121.423 120.300 0.057 0.000 2.396 510 Y HA 0.394 4.820 4.550 -0.206 0.000 0.292 510 Y C 0.274 176.189 175.900 0.026 0.000 1.128 510 Y CA -0.437 57.661 58.100 -0.003 0.000 1.194 510 Y CB 0.064 38.454 38.460 -0.116 0.000 1.124 510 Y HN 0.288 nan 8.280 nan 0.000 0.543 511 Y N 1.819 121.956 120.300 -0.273 0.000 2.377 511 Y HA 0.371 4.796 4.550 -0.207 0.000 0.339 511 Y C -0.970 174.880 175.900 -0.084 0.000 1.011 511 Y CA -1.880 56.040 58.100 -0.299 0.000 1.093 511 Y CB 0.833 39.219 38.460 -0.124 0.000 1.201 511 Y HN 0.049 nan 8.280 nan 0.000 0.455 512 D N 4.997 124.984 120.400 -0.689 0.000 2.365 512 D HA 0.033 4.548 4.640 -0.207 0.000 0.237 512 D C 0.890 176.824 176.300 -0.611 0.000 1.190 512 D CA 0.259 53.986 54.000 -0.456 0.000 0.867 512 D CB 1.439 42.047 40.800 -0.319 0.000 1.050 512 D HN 0.581 nan 8.370 nan 0.000 0.491 513 V N 5.103 124.837 119.914 -0.300 0.000 2.380 513 V HA -0.273 3.722 4.120 -0.207 0.000 0.251 513 V C 1.700 177.624 176.094 -0.282 0.000 1.063 513 V CA 1.750 63.912 62.300 -0.230 0.000 1.055 513 V CB -0.655 31.008 31.823 -0.267 0.000 0.657 513 V HN 0.559 nan 8.190 nan 0.000 0.455 514 F N 0.576 120.457 119.950 -0.116 0.000 2.307 514 F HA -0.119 4.284 4.527 -0.208 0.000 0.301 514 F C 2.270 178.018 175.800 -0.087 0.000 1.076 514 F CA 1.623 59.577 58.000 -0.076 0.000 1.383 514 F CB -0.541 38.420 39.000 -0.065 0.000 1.055 514 F HN 0.161 nan 8.300 nan 0.000 0.526 515 K N -0.502 119.870 120.400 -0.046 0.000 2.360 515 K HA -0.170 4.026 4.320 -0.207 0.000 0.201 515 K C 0.819 177.462 176.600 0.072 0.000 1.046 515 K CA 1.098 57.363 56.287 -0.037 0.000 0.945 515 K CB -0.222 32.169 32.500 -0.181 0.000 0.750 515 K HN 0.081 nan 8.250 nan 0.000 0.464 516 N N 0.365 119.123 118.700 0.097 0.000 2.433 516 N HA 0.154 4.770 4.740 -0.207 0.000 0.270 516 N C -1.423 174.104 175.510 0.029 0.000 1.354 516 N CA -0.077 53.029 53.050 0.094 0.000 0.889 516 N CB 0.520 39.100 38.487 0.156 0.000 1.285 516 N HN -0.050 nan 8.380 nan 0.000 0.503 517 L N 1.015 122.251 121.223 0.022 0.000 2.277 517 L HA 0.457 4.673 4.340 -0.207 0.000 0.284 517 L C 0.530 177.405 176.870 0.008 0.000 1.028 517 L CA -0.461 54.382 54.840 0.005 0.000 0.835 517 L CB 1.308 43.376 42.059 0.015 0.000 1.215 517 L HN -0.192 nan 8.230 nan 0.000 0.425 518 K N 1.625 121.997 120.400 -0.047 0.000 2.455 518 K HA 0.239 4.435 4.320 -0.207 0.000 0.206 518 K C 0.236 176.732 176.600 -0.173 0.000 1.027 518 K CA -0.009 56.224 56.287 -0.089 0.000 1.113 518 K CB 0.937 33.388 32.500 -0.081 0.000 0.850 518 K HN 0.674 nan 8.250 nan 0.000 0.503 519 T N -3.720 110.727 114.554 -0.180 0.000 2.883 519 T HA 0.394 4.619 4.350 -0.207 0.000 0.301 519 T C 0.641 175.221 174.700 -0.200 0.000 1.158 519 T CA -0.657 61.272 62.100 -0.286 0.000 1.007 519 T CB 0.753 69.504 68.868 -0.197 0.000 1.186 519 T HN -0.076 nan 8.240 nan 0.000 0.499 520 Y N 0.639 120.985 120.300 0.078 0.000 2.293 520 Y HA 0.179 4.603 4.550 -0.210 0.000 0.291 520 Y C 2.650 178.555 175.900 0.008 0.000 1.137 520 Y CA 0.946 59.111 58.100 0.107 0.000 1.202 520 Y CB -0.374 38.219 38.460 0.222 0.000 0.990 520 Y HN 0.677 nan 8.280 nan 0.000 0.537 521 K N 0.316 120.741 120.400 0.041 0.000 2.097 521 K HA -0.165 4.031 4.320 -0.207 0.000 0.205 521 K C 1.384 177.875 176.600 -0.182 0.000 1.050 521 K CA 1.595 57.732 56.287 -0.250 0.000 0.938 521 K CB -0.067 32.246 32.500 -0.311 0.000 0.718 521 K HN 0.228 nan 8.250 nan 0.000 0.442 522 D N 0.675 121.011 120.400 -0.107 0.000 2.117 522 D HA -0.136 4.380 4.640 -0.207 0.000 0.198 522 D C 1.935 178.214 176.300 -0.034 0.000 0.982 522 D CA 1.058 54.995 54.000 -0.105 0.000 0.828 522 D CB -0.036 40.715 40.800 -0.081 0.000 0.967 522 D HN 0.279 nan 8.370 nan 0.000 0.464 523 I N 0.680 121.294 120.570 0.073 0.000 2.179 523 I HA -0.267 3.779 4.170 -0.207 0.000 0.242 523 I C 2.630 178.853 176.117 0.175 0.000 1.088 523 I CA 0.861 62.302 61.300 0.235 0.000 1.357 523 I CB -0.236 37.920 38.000 0.259 0.000 1.051 523 I HN -0.064 nan 8.210 nan 0.000 0.409 524 S N 0.960 116.687 115.700 0.044 0.000 2.359 524 S HA -0.167 4.179 4.470 -0.207 0.000 0.224 524 S C 2.089 176.659 174.600 -0.050 0.000 1.035 524 S CA 1.410 59.597 58.200 -0.020 0.000 1.018 524 S CB -0.350 62.781 63.200 -0.117 0.000 0.876 524 S HN 0.318 nan 8.310 nan 0.000 0.448 525 L N 0.272 121.399 121.223 -0.160 0.000 2.046 525 L HA -0.102 4.114 4.340 -0.207 0.000 0.208 525 L C 2.704 179.523 176.870 -0.085 0.000 1.077 525 L CA 1.634 56.286 54.840 -0.313 0.000 0.747 525 L CB -0.428 41.208 42.059 -0.704 0.000 0.896 525 L HN 0.416 nan 8.230 nan 0.000 0.432 526 M N -0.361 119.251 119.600 0.020 0.000 2.132 526 M HA -0.205 4.151 4.480 -0.207 0.000 0.263 526 M C 2.220 178.660 176.300 0.233 0.000 1.065 526 M CA 1.797 57.213 55.300 0.195 0.000 1.122 526 M CB -0.307 32.274 32.600 -0.031 0.000 1.365 526 M HN 0.117 nan 8.290 nan 0.000 0.411 527 Q N -1.228 118.732 119.800 0.267 0.000 2.084 527 Q HA -0.183 4.033 4.340 -0.207 0.000 0.202 527 Q C 2.260 178.337 176.000 0.129 0.000 0.978 527 Q CA 1.926 57.862 55.803 0.222 0.000 0.844 527 Q CB -0.419 28.401 28.738 0.138 0.000 0.898 527 Q HN 0.659 nan 8.270 nan 0.000 0.426 528 S N 0.567 116.329 115.700 0.104 0.000 2.359 528 S HA -0.148 4.198 4.470 -0.207 0.000 0.224 528 S C 1.838 176.493 174.600 0.092 0.000 1.035 528 S CA 0.772 59.018 58.200 0.077 0.000 1.018 528 S CB -0.311 62.923 63.200 0.057 0.000 0.876 528 S HN 0.407 nan 8.310 nan 0.000 0.448 529 L N 1.082 122.394 121.223 0.148 0.000 1.989 529 L HA -0.089 4.127 4.340 -0.207 0.000 0.211 529 L C 2.308 179.205 176.870 0.044 0.000 1.071 529 L CA 1.944 56.839 54.840 0.092 0.000 0.749 529 L CB -0.829 41.293 42.059 0.106 0.000 0.890 529 L HN 0.450 nan 8.230 nan 0.000 0.431 530 L N -0.339 120.926 121.223 0.070 0.000 2.141 530 L HA -0.157 4.059 4.340 -0.207 0.000 0.209 530 L C 2.613 179.512 176.870 0.048 0.000 1.094 530 L CA 1.397 56.271 54.840 0.056 0.000 0.763 530 L CB -0.398 41.718 42.059 0.095 0.000 0.908 530 L HN 0.414 nan 8.230 nan 0.000 0.437 531 S N -2.656 113.074 115.700 0.052 0.000 2.524 531 S HA -0.029 4.317 4.470 -0.207 0.000 0.216 531 S C 0.737 175.352 174.600 0.025 0.000 0.987 531 S CA -0.324 57.897 58.200 0.035 0.000 0.909 531 S CB -0.155 63.064 63.200 0.032 0.000 0.781 531 S HN 0.229 nan 8.310 nan 0.000 0.521 532 D N 2.101 122.517 120.400 0.026 0.000 2.352 532 D HA 0.511 5.027 4.640 -0.207 0.000 0.245 532 D C 1.075 177.381 176.300 0.011 0.000 1.224 532 D CA 0.057 54.068 54.000 0.018 0.000 0.879 532 D CB 1.152 41.964 40.800 0.021 0.000 1.057 532 D HN 0.215 nan 8.370 nan 0.000 0.491 533 A N 3.246 126.071 122.820 0.009 0.000 2.125 533 A HA -0.007 4.189 4.320 -0.207 0.000 0.219 533 A C 2.002 179.588 177.584 0.003 0.000 1.156 533 A CA 1.316 53.357 52.037 0.006 0.000 0.671 533 A CB -0.337 18.667 19.000 0.006 0.000 0.794 533 A HN 0.606 nan 8.150 nan 0.000 0.459 534 G N -0.910 107.892 108.800 0.003 0.000 2.534 534 G HA2 0.208 4.044 3.960 -0.207 0.000 0.217 534 G HA3 0.208 4.044 3.960 -0.207 0.000 0.217 534 G C 0.441 175.338 174.900 -0.004 0.000 1.128 534 G CA 0.695 45.795 45.100 -0.000 0.000 0.784 534 G HN 0.279 nan 8.290 nan 0.000 0.542 535 V N 1.583 121.494 119.914 -0.005 0.000 2.385 535 V HA 0.600 4.596 4.120 -0.207 0.000 0.269 535 V C 0.683 176.768 176.094 -0.014 0.000 1.043 535 V CA -1.109 61.183 62.300 -0.014 0.000 0.906 535 V CB 0.682 32.493 31.823 -0.020 0.000 0.995 535 V HN 0.369 nan 8.190 nan 0.000 0.467 536 A N 4.088 126.898 122.820 -0.016 0.000 2.425 536 A HA 0.534 4.730 4.320 -0.207 0.000 0.249 536 A C 0.512 178.087 177.584 -0.015 0.000 1.084 536 A CA 0.012 52.042 52.037 -0.012 0.000 0.781 536 A CB 0.586 19.580 19.000 -0.010 0.000 1.019 536 A HN 0.848 nan 8.150 nan 0.000 0.490 537 S N 1.910 117.607 115.700 -0.006 0.000 2.539 537 S HA 0.508 4.854 4.470 -0.207 0.000 0.235 537 S C -1.051 173.553 174.600 0.008 0.000 1.326 537 S CA -0.452 57.746 58.200 -0.003 0.000 1.183 537 S CB -0.025 63.175 63.200 0.000 0.000 1.073 537 S HN 0.672 nan 8.310 nan 0.000 0.480 538 V N 6.147 126.067 119.914 0.009 0.000 2.495 538 V HA 0.521 4.517 4.120 -0.207 0.000 0.298 538 V C -2.206 173.907 176.094 0.031 0.000 1.031 538 V CA -2.069 60.243 62.300 0.020 0.000 0.871 538 V CB 1.640 33.473 31.823 0.018 0.000 0.988 538 V HN 0.625 nan 8.190 nan 0.000 0.432 539 P HA 0.085 nan 4.420 nan 0.000 0.263 539 P C -0.124 177.228 177.300 0.087 0.000 1.175 539 P CA 0.158 63.300 63.100 0.070 0.000 0.761 539 P CB 0.324 32.076 31.700 0.086 0.000 0.794 540 R N 1.216 121.774 120.500 0.097 0.000 2.643 540 R HA 0.205 4.421 4.340 -0.207 0.000 0.270 540 R C 0.903 177.342 176.300 0.231 0.000 1.061 540 R CA 0.008 56.183 56.100 0.126 0.000 1.107 540 R CB 0.102 30.449 30.300 0.079 0.000 0.999 540 R HN 0.415 nan 8.270 nan 0.000 0.460 541 T N 0.516 115.190 114.554 0.200 0.000 2.788 541 T HA 0.097 4.323 4.350 -0.207 0.000 0.280 541 T C 0.215 175.079 174.700 0.273 0.000 0.984 541 T CA -0.377 61.833 62.100 0.185 0.000 0.972 541 T CB 0.716 69.651 68.868 0.113 0.000 1.039 541 T HN 0.512 nan 8.240 nan 0.000 0.530 542 S N 1.632 117.394 115.700 0.103 0.000 2.572 542 S HA 0.438 4.784 4.470 -0.207 0.000 0.279 542 S C -0.940 173.727 174.600 0.112 0.000 1.341 542 S CA -0.187 58.002 58.200 -0.018 0.000 1.043 542 S CB -0.140 62.973 63.200 -0.146 0.000 0.887 542 S HN 0.648 nan 8.310 nan 0.000 0.516 543 Y N -0.401 119.939 120.300 0.066 0.000 2.638 543 Y HA 0.769 5.195 4.550 -0.207 0.000 0.335 543 Y C -1.506 174.403 175.900 0.016 0.000 1.155 543 Y CA -1.545 56.575 58.100 0.034 0.000 1.046 543 Y CB 1.183 39.669 38.460 0.043 0.000 1.303 543 Y HN 0.514 nan 8.280 nan 0.000 0.460 544 L N 2.320 123.667 121.223 0.206 0.000 2.541 544 L HA 0.609 4.825 4.340 -0.207 0.000 0.266 544 L C -1.500 175.383 176.870 0.021 0.000 0.966 544 L CA -0.318 54.581 54.840 0.098 0.000 0.871 544 L CB 1.883 43.952 42.059 0.018 0.000 1.232 544 L HN 0.838 nan 8.230 nan 0.000 0.408 545 S N 3.437 119.097 115.700 -0.067 0.000 2.433 545 S HA 0.654 5.000 4.470 -0.207 0.000 0.310 545 S C 0.088 174.367 174.600 -0.535 0.000 1.097 545 S CA -0.455 57.487 58.200 -0.430 0.000 1.103 545 S CB 1.629 64.334 63.200 -0.825 0.000 0.992 545 S HN 0.661 nan 8.310 nan 0.000 0.469 546 A N 3.356 125.924 122.820 -0.420 0.000 2.478 546 A HA 0.543 4.739 4.320 -0.207 0.000 0.327 546 A C -0.482 176.936 177.584 -0.277 0.000 1.431 546 A CA -0.493 51.364 52.037 -0.300 0.000 1.014 546 A CB -0.659 18.196 19.000 -0.241 0.000 1.143 546 A HN 0.693 nan 8.150 nan 0.000 0.532 547 F N 2.273 122.189 119.950 -0.056 0.000 2.640 547 F HA 0.128 4.531 4.527 -0.207 0.000 0.354 547 F C 1.352 177.099 175.800 -0.087 0.000 1.213 547 F CA -0.637 57.328 58.000 -0.058 0.000 1.314 547 F CB -0.438 38.536 39.000 -0.043 0.000 1.679 547 F HN 0.555 nan 8.300 nan 0.000 0.622 548 N N 0.951 119.658 118.700 0.012 0.000 2.205 548 N HA -0.153 4.463 4.740 -0.207 0.000 0.186 548 N C 1.736 177.235 175.510 -0.017 0.000 1.015 548 N CA 0.992 54.027 53.050 -0.025 0.000 0.862 548 N CB 0.115 38.524 38.487 -0.130 0.000 0.986 548 N HN 0.287 nan 8.380 nan 0.000 0.429 549 K N 0.826 121.181 120.400 -0.075 0.000 2.555 549 K HA 0.024 4.220 4.320 -0.207 0.000 0.193 549 K C 1.458 177.867 176.600 -0.319 0.000 1.032 549 K CA 0.364 56.492 56.287 -0.265 0.000 1.004 549 K CB -0.010 32.147 32.500 -0.571 0.000 0.804 549 K HN 0.485 nan 8.250 nan 0.000 0.496 550 M N -2.040 117.469 119.600 -0.152 0.000 2.511 550 M HA 0.262 4.617 4.480 -0.207 0.000 0.387 550 M C -1.100 175.192 176.300 -0.014 0.000 1.112 550 M CA -0.121 55.111 55.300 -0.113 0.000 0.921 550 M CB 0.604 33.114 32.600 -0.150 0.000 1.501 550 M HN -0.211 nan 8.290 nan 0.000 0.538 551 D N 1.698 122.110 120.400 0.019 0.000 2.772 551 D HA -0.104 4.412 4.640 -0.207 0.000 0.233 551 D C -0.734 175.602 176.300 0.060 0.000 1.143 551 D CA 1.019 55.050 54.000 0.051 0.000 0.700 551 D CB -0.542 40.306 40.800 0.081 0.000 1.076 551 D HN 0.487 nan 8.370 nan 0.000 0.430 552 K N -0.126 120.326 120.400 0.087 0.000 2.328 552 K HA 0.690 4.886 4.320 -0.207 0.000 0.246 552 K C 0.157 176.851 176.600 0.157 0.000 0.955 552 K CA -0.461 55.891 56.287 0.108 0.000 0.817 552 K CB 2.130 34.698 32.500 0.114 0.000 1.208 552 K HN -0.129 nan 8.250 nan 0.000 0.432 553 T N 0.424 115.032 114.554 0.091 0.000 2.921 553 T HA 0.635 4.861 4.350 -0.207 0.000 0.297 553 T C -1.229 173.529 174.700 0.096 0.000 1.013 553 T CA -0.707 61.423 62.100 0.050 0.000 0.990 553 T CB 1.755 70.626 68.868 0.005 0.000 1.023 553 T HN 0.587 nan 8.240 nan 0.000 0.447 554 A N 3.773 126.654 122.820 0.103 0.000 2.330 554 A HA 0.869 5.065 4.320 -0.207 0.000 0.313 554 A C -0.632 177.077 177.584 0.207 0.000 1.124 554 A CA -0.751 51.406 52.037 0.201 0.000 0.774 554 A CB 1.185 20.370 19.000 0.309 0.000 1.198 554 A HN 0.861 nan 8.150 nan 0.000 0.465 555 M N 2.992 122.728 119.600 0.227 0.000 2.464 555 M HA 0.693 5.049 4.480 -0.207 0.000 0.308 555 M C -2.297 173.971 176.300 -0.052 0.000 1.127 555 M CA -0.679 54.677 55.300 0.093 0.000 0.913 555 M CB 2.046 34.782 32.600 0.228 0.000 1.689 555 M HN 0.792 nan 8.290 nan 0.000 0.445 556 Y N 3.502 123.443 120.300 -0.598 0.000 2.396 556 Y HA 0.423 4.849 4.550 -0.206 0.000 0.332 556 Y C -1.714 173.820 175.900 -0.609 0.000 1.034 556 Y CA -0.821 56.862 58.100 -0.695 0.000 1.057 556 Y CB 1.651 39.457 38.460 -1.090 0.000 1.220 556 Y HN 0.824 nan 8.280 nan 0.000 0.440 557 N N 4.206 122.043 118.700 -1.438 0.000 2.469 557 N HA 0.531 5.147 4.740 -0.207 0.000 0.253 557 N C 0.238 174.996 175.510 -1.253 0.000 0.970 557 N CA 0.322 52.682 53.050 -1.150 0.000 0.940 557 N CB 1.411 39.193 38.487 -1.175 0.000 1.128 557 N HN 0.810 nan 8.380 nan 0.000 0.503 558 A N 2.994 125.322 122.820 -0.820 0.000 2.016 558 A HA -0.091 4.105 4.320 -0.207 0.000 0.217 558 A C 1.862 179.336 177.584 -0.185 0.000 1.162 558 A CA 0.802 52.608 52.037 -0.386 0.000 0.662 558 A CB -0.347 18.626 19.000 -0.044 0.000 0.812 558 A HN 0.863 nan 8.150 nan 0.000 0.450 559 E N 0.137 120.228 120.200 -0.182 0.000 2.072 559 E HA -0.169 4.057 4.350 -0.207 0.000 0.191 559 E C 1.648 178.221 176.600 -0.044 0.000 0.985 559 E CA 1.314 57.666 56.400 -0.080 0.000 0.801 559 E CB -0.050 29.610 29.700 -0.067 0.000 0.750 559 E HN 0.577 nan 8.360 nan 0.000 0.452 560 K N -1.309 119.053 120.400 -0.062 0.000 2.348 560 K HA 0.136 4.332 4.320 -0.207 0.000 0.194 560 K C 0.559 177.213 176.600 0.090 0.000 1.052 560 K CA 0.528 56.850 56.287 0.059 0.000 1.004 560 K CB 1.049 33.660 32.500 0.186 0.000 0.873 560 K HN 0.249 nan 8.250 nan 0.000 0.523 561 G N 2.630 111.394 108.800 -0.061 0.000 2.303 561 G HA2 -0.223 3.613 3.960 -0.207 0.000 0.260 561 G HA3 -0.223 3.613 3.960 -0.207 0.000 0.260 561 G C -0.343 174.670 174.900 0.188 0.000 1.106 561 G CA 0.103 45.222 45.100 0.031 0.000 0.900 561 G HN 0.316 nan 8.290 nan 0.000 0.495 562 F N -0.894 119.047 119.950 -0.016 0.000 2.588 562 F HA 0.898 5.301 4.527 -0.207 0.000 0.314 562 F C 0.290 176.219 175.800 0.215 0.000 1.069 562 F CA -1.316 56.773 58.000 0.149 0.000 0.931 562 F CB 1.285 40.359 39.000 0.123 0.000 1.260 562 F HN 0.405 nan 8.300 nan 0.000 0.465 563 G N 1.026 110.178 108.800 0.586 0.000 2.454 563 G HA2 0.639 4.475 3.960 -0.207 0.000 0.329 563 G HA3 0.639 4.475 3.960 -0.207 0.000 0.329 563 G C -2.486 172.894 174.900 0.801 0.000 1.177 563 G CA -0.875 44.571 45.100 0.578 0.000 0.951 563 G HN 0.850 nan 8.290 nan 0.000 0.485 564 F N 0.726 120.971 119.950 0.492 0.000 2.573 564 F HA 0.668 5.071 4.527 -0.207 0.000 0.316 564 F C -0.007 176.029 175.800 0.392 0.000 1.148 564 F CA -0.760 57.525 58.000 0.474 0.000 0.940 564 F CB 2.106 41.360 39.000 0.424 0.000 1.214 564 F HN 0.729 nan 8.300 nan 0.000 0.448 565 G N 5.417 114.106 108.800 -0.185 0.000 2.470 565 G HA2 0.599 4.435 3.960 -0.207 0.000 0.320 565 G HA3 0.599 4.435 3.960 -0.207 0.000 0.320 565 G C -2.445 172.182 174.900 -0.454 0.000 1.245 565 G CA -0.731 44.266 45.100 -0.173 0.000 0.935 565 G HN 0.823 nan 8.290 nan 0.000 0.476 566 L N 2.711 123.729 121.223 -0.342 0.000 2.529 566 L HA 0.715 4.931 4.340 -0.207 0.000 0.260 566 L C -0.335 176.410 176.870 -0.209 0.000 0.997 566 L CA -0.463 54.146 54.840 -0.385 0.000 0.885 566 L CB 1.459 43.278 42.059 -0.401 0.000 1.185 566 L HN 0.721 nan 8.230 nan 0.000 0.442 567 S N 4.367 120.003 115.700 -0.106 0.000 2.550 567 S HA 0.937 5.283 4.470 -0.207 0.000 0.270 567 S C -1.134 173.495 174.600 0.048 0.000 1.145 567 S CA -0.778 57.400 58.200 -0.036 0.000 0.852 567 S CB 1.661 64.869 63.200 0.014 0.000 1.119 567 S HN 0.571 nan 8.310 nan 0.000 0.465 568 L N 0.700 121.987 121.223 0.107 0.000 2.332 568 L HA 0.846 5.062 4.340 -0.207 0.000 0.242 568 L C -1.148 175.948 176.870 0.376 0.000 1.127 568 L CA -1.200 53.772 54.840 0.221 0.000 0.948 568 L CB 1.583 43.706 42.059 0.106 0.000 1.553 568 L HN 0.891 nan 8.230 nan 0.000 0.419 569 F N -0.917 119.126 119.950 0.154 0.000 2.789 569 F HA 0.876 5.279 4.527 -0.207 0.000 0.319 569 F C -0.627 175.267 175.800 0.158 0.000 1.168 569 F CA -0.668 57.414 58.000 0.137 0.000 0.934 569 F CB 1.287 40.379 39.000 0.155 0.000 1.375 569 F HN 0.566 nan 8.300 nan 0.000 0.480 570 S N -0.798 114.888 115.700 -0.023 0.000 2.757 570 S HA 0.382 4.728 4.470 -0.207 0.000 0.285 570 S C 0.287 174.893 174.600 0.011 0.000 1.196 570 S CA -0.105 58.031 58.200 -0.107 0.000 0.856 570 S CB 0.571 63.765 63.200 -0.010 0.000 1.212 570 S HN 1.555 nan 8.310 nan 0.000 0.516 571 S N 0.489 116.200 115.700 0.019 0.000 2.465 571 S HA -0.097 4.249 4.470 -0.207 0.000 0.241 571 S C 1.405 176.053 174.600 0.079 0.000 1.000 571 S CA 0.894 59.131 58.200 0.061 0.000 0.964 571 S CB -0.673 62.555 63.200 0.047 0.000 0.763 571 S HN 0.693 nan 8.310 nan 0.000 0.512 572 R N 1.377 121.919 120.500 0.070 0.000 2.276 572 R HA 0.146 4.362 4.340 -0.207 0.000 0.196 572 R C 0.224 176.569 176.300 0.075 0.000 0.961 572 R CA 0.984 57.121 56.100 0.061 0.000 1.024 572 R CB 0.127 30.449 30.300 0.036 0.000 0.940 572 R HN 0.654 nan 8.270 nan 0.000 0.480 573 T N -2.002 112.631 114.554 0.132 0.000 2.916 573 T HA 0.383 4.609 4.350 -0.207 0.000 0.305 573 T C -0.733 174.118 174.700 0.251 0.000 1.119 573 T CA -0.952 61.237 62.100 0.149 0.000 1.008 573 T CB 1.932 70.882 68.868 0.136 0.000 1.129 573 T HN -0.141 nan 8.240 nan 0.000 0.480 574 L N 3.413 124.714 121.223 0.130 0.000 2.397 574 L HA 0.312 4.528 4.340 -0.207 0.000 0.271 574 L C 1.574 178.414 176.870 -0.049 0.000 1.148 574 L CA -0.098 54.780 54.840 0.063 0.000 0.825 574 L CB 0.519 42.565 42.059 -0.022 0.000 1.117 574 L HN 0.894 nan 8.230 nan 0.000 0.456 575 N N 2.778 121.271 118.700 -0.345 0.000 2.080 575 N HA -0.125 4.491 4.740 -0.207 0.000 0.189 575 N C -0.421 175.004 175.510 -0.142 0.000 1.036 575 N CA 1.693 54.327 53.050 -0.694 0.000 0.846 575 N CB -0.430 37.188 38.487 -1.448 0.000 1.015 575 N HN 0.573 nan 8.380 nan 0.000 0.423 576 Y N -2.686 117.474 120.300 -0.234 0.000 2.581 576 Y HA 0.598 5.024 4.550 -0.207 0.000 0.337 576 Y C -1.327 174.512 175.900 -0.103 0.000 1.108 576 Y CA -1.806 56.193 58.100 -0.168 0.000 1.033 576 Y CB 0.815 39.175 38.460 -0.167 0.000 1.318 576 Y HN 0.056 nan 8.280 nan 0.000 0.459 577 E N 2.962 123.045 120.200 -0.195 0.000 2.109 577 E HA 0.199 4.425 4.350 -0.207 0.000 0.278 577 E C -1.601 174.957 176.600 -0.071 0.000 0.954 577 E CA -0.649 55.643 56.400 -0.179 0.000 0.779 577 E CB 0.576 30.270 29.700 -0.010 0.000 1.093 577 E HN 0.862 nan 8.360 nan 0.000 0.401 578 H N 6.693 125.594 119.070 -0.282 0.000 2.638 578 H HA 0.443 4.875 4.556 -0.207 0.000 0.317 578 H C -1.240 174.044 175.328 -0.074 0.000 1.006 578 H CA -0.813 55.166 56.048 -0.115 0.000 1.222 578 H CB 0.917 30.642 29.762 -0.062 0.000 1.419 578 H HN 0.594 nan 8.280 nan 0.000 0.489 579 M N 5.011 124.567 119.600 -0.074 0.000 2.465 579 M HA 0.178 4.534 4.480 -0.207 0.000 0.284 579 M C -1.013 175.260 176.300 -0.044 0.000 1.212 579 M CA -0.496 54.722 55.300 -0.136 0.000 0.910 579 M CB 1.624 34.208 32.600 -0.027 0.000 1.725 579 M HN 0.780 nan 8.290 nan 0.000 0.477 580 N N 2.837 121.500 118.700 -0.061 0.000 2.721 580 N HA -0.193 4.423 4.740 -0.207 0.000 0.249 580 N C -0.820 174.702 175.510 0.020 0.000 1.072 580 N CA 1.688 54.727 53.050 -0.018 0.000 0.710 580 N CB -1.223 37.250 38.487 -0.024 0.000 0.993 580 N HN 0.868 nan 8.380 nan 0.000 0.547 581 K N -2.413 118.024 120.400 0.061 0.000 3.341 581 K HA -0.240 3.955 4.320 -0.207 0.000 0.305 581 K C -0.661 176.037 176.600 0.163 0.000 1.270 581 K CA 1.330 57.715 56.287 0.163 0.000 0.897 581 K CB -1.098 31.457 32.500 0.091 0.000 1.264 581 K HN 0.570 nan 8.250 nan 0.000 0.468 582 E N 0.842 121.150 120.200 0.181 0.000 2.195 582 E HA 0.293 4.519 4.350 -0.207 0.000 0.271 582 E C -0.135 176.538 176.600 0.121 0.000 0.923 582 E CA -1.070 55.391 56.400 0.101 0.000 0.790 582 E CB 1.231 30.957 29.700 0.044 0.000 1.155 582 E HN 0.195 nan 8.360 nan 0.000 0.402 583 N N 1.935 120.627 118.700 -0.012 0.000 2.771 583 N HA -0.170 4.446 4.740 -0.207 0.000 0.249 583 N C -0.091 175.275 175.510 -0.241 0.000 1.069 583 N CA 0.551 53.538 53.050 -0.104 0.000 0.688 583 N CB -0.790 37.670 38.487 -0.045 0.000 0.928 583 N HN 0.552 nan 8.380 nan 0.000 0.551 584 K N -0.113 120.041 120.400 -0.410 0.000 2.280 584 K HA -0.005 4.191 4.320 -0.207 0.000 0.202 584 K C 0.788 176.882 176.600 -0.844 0.000 1.047 584 K CA 1.030 56.903 56.287 -0.690 0.000 0.942 584 K CB 0.079 32.308 32.500 -0.451 0.000 0.739 584 K HN 0.378 nan 8.250 nan 0.000 0.457 585 R N -0.423 119.481 120.500 -0.995 0.000 2.690 585 R HA 0.109 4.324 4.340 -0.207 0.000 0.419 585 R C 0.923 176.348 176.300 -1.460 0.000 1.090 585 R CA -0.183 54.825 56.100 -1.821 0.000 1.064 585 R CB 1.166 30.681 30.300 -1.309 0.000 1.391 585 R HN 0.084 nan 8.270 nan 0.000 0.586 586 G N 0.050 108.178 108.800 -1.120 0.000 3.026 586 G HA2 -0.106 3.730 3.960 -0.207 0.000 0.208 586 G HA3 -0.106 3.730 3.960 -0.207 0.000 0.208 586 G C 0.748 174.931 174.900 -1.196 0.000 1.169 586 G CA -0.318 44.306 45.100 -0.794 0.000 0.788 586 G HN 0.325 nan 8.290 nan 0.000 0.533 587 W N 0.496 120.927 121.300 -1.448 0.000 2.274 587 W HA -0.187 4.349 4.660 -0.206 0.000 0.314 587 W C 1.000 176.989 176.519 -0.883 0.000 1.254 587 W CA 0.916 57.324 57.345 -1.562 0.000 1.265 587 W CB -0.851 27.627 29.460 -1.635 0.000 1.141 587 W HN 0.374 nan 8.180 nan 0.000 0.505 588 Y N -0.093 120.160 120.300 -0.077 0.000 2.584 588 Y HA 0.100 4.526 4.550 -0.207 0.000 0.254 588 Y C 2.153 178.102 175.900 0.081 0.000 1.177 588 Y CA 0.359 58.504 58.100 0.075 0.000 1.216 588 Y CB -1.151 37.385 38.460 0.127 0.000 1.172 588 Y HN -0.117 nan 8.280 nan 0.000 0.529 589 T N -4.457 110.169 114.554 0.120 0.000 3.113 589 T HA -0.013 4.213 4.350 -0.207 0.000 0.263 589 T C 1.187 176.007 174.700 0.199 0.000 1.143 589 T CA 1.092 63.292 62.100 0.168 0.000 1.090 589 T CB -0.140 68.807 68.868 0.132 0.000 0.922 589 T HN 0.103 nan 8.240 nan 0.000 0.521 590 S N 0.875 116.699 115.700 0.206 0.000 2.846 590 S HA 0.220 4.566 4.470 -0.207 0.000 0.249 590 S C -0.294 174.598 174.600 0.486 0.000 1.028 590 S CA -0.506 57.867 58.200 0.288 0.000 1.043 590 S CB 0.353 63.685 63.200 0.221 0.000 0.990 590 S HN 0.330 nan 8.310 nan 0.000 0.564 591 D N 2.267 122.932 120.400 0.440 0.000 3.038 591 D HA 0.365 4.881 4.640 -0.207 0.000 0.243 591 D C 1.150 177.591 176.300 0.235 0.000 1.245 591 D CA 0.228 54.497 54.000 0.448 0.000 0.871 591 D CB -0.360 40.672 40.800 0.387 0.000 1.089 591 D HN 0.441 nan 8.370 nan 0.000 0.464 592 G N 1.411 110.404 108.800 0.322 0.000 2.225 592 G HA2 -0.336 3.500 3.960 -0.207 0.000 0.264 592 G HA3 -0.336 3.500 3.960 -0.207 0.000 0.264 592 G C 0.352 175.469 174.900 0.361 0.000 1.060 592 G CA 0.143 45.457 45.100 0.356 0.000 0.833 592 G HN 0.437 nan 8.290 nan 0.000 0.498 593 M N 0.298 120.050 119.600 0.254 0.000 2.238 593 M HA 0.630 4.986 4.480 -0.207 0.000 0.347 593 M C 0.479 176.899 176.300 0.201 0.000 1.173 593 M CA -0.550 54.878 55.300 0.212 0.000 1.147 593 M CB 0.212 32.885 32.600 0.121 0.000 1.547 593 M HN 0.578 nan 8.290 nan 0.000 0.455 594 F N 3.528 123.512 119.950 0.057 0.000 2.579 594 F HA 0.719 5.122 4.527 -0.207 0.000 0.324 594 F C -2.301 173.398 175.800 -0.167 0.000 1.058 594 F CA -1.101 56.888 58.000 -0.018 0.000 0.944 594 F CB 0.847 40.007 39.000 0.266 0.000 1.245 594 F HN 0.462 nan 8.300 nan 0.000 0.477 595 Y N 2.609 122.733 120.300 -0.293 0.000 2.409 595 Y HA 0.648 5.074 4.550 -0.207 0.000 0.343 595 Y C -1.041 174.788 175.900 -0.118 0.000 0.973 595 Y CA -1.113 56.742 58.100 -0.408 0.000 1.064 595 Y CB 2.055 40.175 38.460 -0.567 0.000 1.207 595 Y HN 0.793 nan 8.280 nan 0.000 0.452 596 L N 3.898 125.132 121.223 0.019 0.000 2.333 596 L HA 0.566 4.782 4.340 -0.207 0.000 0.280 596 L C -1.997 174.827 176.870 -0.076 0.000 1.004 596 L CA -0.856 54.096 54.840 0.186 0.000 0.820 596 L CB 0.611 42.831 42.059 0.268 0.000 1.247 596 L HN 0.482 nan 8.230 nan 0.000 0.416 597 Y N 5.385 125.909 120.300 0.374 0.000 2.417 597 Y HA 0.479 4.905 4.550 -0.207 0.000 0.336 597 Y C 0.276 176.355 175.900 0.298 0.000 0.961 597 Y CA -0.607 57.683 58.100 0.318 0.000 1.215 597 Y CB 0.688 39.324 38.460 0.293 0.000 1.120 597 Y HN 0.783 nan 8.280 nan 0.000 0.499 598 N N -0.079 118.802 118.700 0.302 0.000 3.184 598 N HA 0.363 4.978 4.740 -0.207 0.000 0.353 598 N C 1.284 176.915 175.510 0.202 0.000 1.441 598 N CA -0.428 52.768 53.050 0.243 0.000 0.723 598 N CB -0.050 38.520 38.487 0.138 0.000 1.547 598 N HN 0.466 nan 8.380 nan 0.000 0.624 599 G N -1.500 107.390 108.800 0.150 0.000 2.498 599 G HA2 -0.168 3.668 3.960 -0.207 0.000 0.219 599 G HA3 -0.168 3.668 3.960 -0.207 0.000 0.219 599 G C -0.009 174.944 174.900 0.087 0.000 1.119 599 G CA 0.805 45.978 45.100 0.122 0.000 0.766 599 G HN 0.721 nan 8.290 nan 0.000 0.552 600 D N 0.400 120.838 120.400 0.063 0.000 2.470 600 D HA 0.210 4.726 4.640 -0.207 0.000 0.226 600 D C 1.485 177.802 176.300 0.027 0.000 1.196 600 D CA -0.502 53.508 54.000 0.016 0.000 0.979 600 D CB 0.376 41.170 40.800 -0.009 0.000 1.059 600 D HN -0.100 nan 8.370 nan 0.000 0.515 601 L N 2.465 123.699 121.223 0.018 0.000 2.265 601 L HA -0.102 4.114 4.340 -0.207 0.000 0.215 601 L C 2.366 179.074 176.870 -0.271 0.000 1.117 601 L CA 1.244 56.119 54.840 0.058 0.000 0.782 601 L CB -0.661 41.495 42.059 0.161 0.000 0.914 601 L HN 0.462 nan 8.230 nan 0.000 0.441 602 S N -2.442 112.903 115.700 -0.591 0.000 2.603 602 S HA -0.134 4.212 4.470 -0.207 0.000 0.220 602 S C 2.033 176.425 174.600 -0.347 0.000 0.967 602 S CA 0.055 57.755 58.200 -0.833 0.000 0.920 602 S CB -0.680 62.112 63.200 -0.680 0.000 0.773 602 S HN 0.537 nan 8.310 nan 0.000 0.529 603 H N 1.270 120.149 119.070 -0.318 0.000 2.289 603 H HA -0.172 4.259 4.556 -0.207 0.000 0.296 603 H C 0.550 175.520 175.328 -0.596 0.000 1.091 603 H CA 2.138 57.905 56.048 -0.468 0.000 1.274 603 H CB -0.402 28.974 29.762 -0.643 0.000 1.364 603 H HN 0.627 nan 8.280 nan 0.000 0.490 604 Y N 0.578 120.770 120.300 -0.181 0.000 2.462 604 Y HA 0.192 4.618 4.550 -0.207 0.000 0.293 604 Y C 1.055 176.950 175.900 -0.007 0.000 1.195 604 Y CA -0.186 57.690 58.100 -0.374 0.000 1.276 604 Y CB 0.416 38.777 38.460 -0.166 0.000 1.082 604 Y HN -0.001 nan 8.280 nan 0.000 0.514 605 S N -1.360 114.404 115.700 0.107 0.000 2.837 605 S HA 0.249 4.595 4.470 -0.207 0.000 0.314 605 S C -0.421 174.291 174.600 0.185 0.000 1.098 605 S CA -0.798 57.544 58.200 0.237 0.000 0.903 605 S CB 0.842 64.182 63.200 0.233 0.000 1.310 605 S HN 0.233 nan 8.310 nan 0.000 0.581 606 D N 0.617 121.177 120.400 0.267 0.000 2.708 606 D HA -0.128 4.388 4.640 -0.207 0.000 0.236 606 D C 0.712 177.132 176.300 0.199 0.000 1.146 606 D CA 1.561 55.693 54.000 0.220 0.000 0.662 606 D CB -1.637 39.238 40.800 0.125 0.000 1.059 606 D HN 1.174 nan 8.370 nan 0.000 0.428 607 G N -1.015 107.983 108.800 0.330 0.000 2.137 607 G HA2 -0.452 3.384 3.960 -0.207 0.000 0.237 607 G HA3 -0.452 3.384 3.960 -0.207 0.000 0.237 607 G C 0.602 175.481 174.900 -0.035 0.000 1.002 607 G CA 0.722 45.910 45.100 0.147 0.000 0.702 607 G HN 0.519 nan 8.290 nan 0.000 0.515 608 Y N -0.492 119.755 120.300 -0.089 0.000 2.081 608 Y HA -0.128 4.298 4.550 -0.207 0.000 0.280 608 Y C 2.549 178.279 175.900 -0.283 0.000 1.163 608 Y CA 2.738 60.721 58.100 -0.196 0.000 1.135 608 Y CB -0.281 37.969 38.460 -0.349 0.000 0.970 608 Y HN 0.386 nan 8.280 nan 0.000 0.498 609 W N 0.994 122.265 121.300 -0.050 0.000 2.358 609 W HA -0.111 4.425 4.660 -0.207 0.000 0.303 609 W C -0.382 175.831 176.519 -0.509 0.000 1.208 609 W CA 1.180 58.394 57.345 -0.218 0.000 1.274 609 W CB -1.404 28.068 29.460 0.020 0.000 1.138 609 W HN 0.196 nan 8.180 nan 0.000 0.515 610 P HA 0.001 nan 4.420 nan 0.000 0.241 610 P C 1.035 178.109 177.300 -0.377 0.000 1.191 610 P CA 1.735 64.508 63.100 -0.544 0.000 0.771 610 P CB 0.096 31.252 31.700 -0.906 0.000 0.929 611 T N -4.389 109.952 114.554 -0.356 0.000 2.969 611 T HA 0.123 4.349 4.350 -0.207 0.000 0.250 611 T C 0.807 175.203 174.700 -0.507 0.000 1.021 611 T CA -0.131 61.818 62.100 -0.251 0.000 1.003 611 T CB -0.769 68.092 68.868 -0.012 0.000 1.040 611 T HN -0.124 nan 8.240 nan 0.000 0.492 612 V N 3.793 123.249 119.914 -0.762 0.000 2.694 612 V HA 0.199 4.195 4.120 -0.207 0.000 0.306 612 V C 0.217 175.900 176.094 -0.685 0.000 1.054 612 V CA -0.418 61.190 62.300 -1.153 0.000 1.161 612 V CB 0.251 31.301 31.823 -1.288 0.000 0.916 612 V HN 0.581 nan 8.190 nan 0.000 0.490 613 N N 8.840 127.170 118.700 -0.617 0.000 2.406 613 N HA 0.218 4.833 4.740 -0.207 0.000 0.265 613 N C -1.391 174.033 175.510 -0.142 0.000 1.203 613 N CA -1.870 51.016 53.050 -0.272 0.000 0.945 613 N CB 1.348 39.719 38.487 -0.193 0.000 1.165 613 N HN 0.475 nan 8.380 nan 0.000 0.485 614 P HA -0.085 nan 4.420 nan 0.000 0.230 614 P C 0.415 177.759 177.300 0.073 0.000 1.158 614 P CA 0.955 63.993 63.100 -0.103 0.000 0.769 614 P CB 0.010 31.520 31.700 -0.317 0.000 0.807 615 Y N 0.754 121.199 120.300 0.241 0.000 2.544 615 Y HA 0.090 4.516 4.550 -0.207 0.000 0.286 615 Y C 1.421 177.413 175.900 0.154 0.000 1.141 615 Y CA 0.763 59.040 58.100 0.295 0.000 1.299 615 Y CB -0.038 38.520 38.460 0.164 0.000 1.030 615 Y HN -0.086 nan 8.280 nan 0.000 0.543 616 K N 0.155 120.663 120.400 0.181 0.000 3.237 616 K HA 0.222 4.418 4.320 -0.207 0.000 0.197 616 K C -0.648 175.970 176.600 0.031 0.000 1.133 616 K CA -0.323 56.007 56.287 0.072 0.000 0.944 616 K CB 0.408 32.916 32.500 0.013 0.000 0.952 616 K HN -0.025 nan 8.250 nan 0.000 0.515 617 M N 2.841 122.491 119.600 0.083 0.000 2.248 617 M HA 0.099 4.455 4.480 -0.207 0.000 0.345 617 M C -2.195 174.134 176.300 0.048 0.000 1.243 617 M CA -2.684 52.648 55.300 0.054 0.000 1.090 617 M CB -0.719 31.958 32.600 0.128 0.000 1.683 617 M HN 0.043 nan 8.290 nan 0.000 0.450 618 P HA 0.121 nan 4.420 nan 0.000 0.263 618 P C 0.859 178.315 177.300 0.260 0.000 1.195 618 P CA 0.815 63.922 63.100 0.011 0.000 0.762 618 P CB 0.531 32.023 31.700 -0.346 0.000 0.799 619 G N 2.397 111.467 108.800 0.449 0.000 2.241 619 G HA2 -0.221 3.615 3.960 -0.207 0.000 0.244 619 G HA3 -0.221 3.615 3.960 -0.207 0.000 0.244 619 G C 0.315 175.441 174.900 0.376 0.000 0.998 619 G CA 0.336 45.789 45.100 0.588 0.000 0.621 619 G HN 0.857 nan 8.290 nan 0.000 0.519 620 T N -0.307 114.384 114.554 0.229 0.000 2.909 620 T HA 0.589 4.815 4.350 -0.207 0.000 0.289 620 T C 0.001 174.740 174.700 0.066 0.000 1.005 620 T CA 0.555 62.726 62.100 0.119 0.000 1.084 620 T CB 1.962 70.879 68.868 0.081 0.000 0.975 620 T HN 0.344 nan 8.240 nan 0.000 0.509 621 T N 3.965 118.528 114.554 0.015 0.000 2.758 621 T HA 0.558 4.784 4.350 -0.207 0.000 0.285 621 T C -0.578 174.190 174.700 0.113 0.000 0.981 621 T CA -0.701 61.472 62.100 0.122 0.000 0.965 621 T CB 0.823 69.817 68.868 0.211 0.000 0.927 621 T HN 0.675 nan 8.240 nan 0.000 0.448 622 E N 1.497 121.767 120.200 0.116 0.000 2.433 622 E HA 0.417 4.643 4.350 -0.207 0.000 0.278 622 E C -0.235 176.438 176.600 0.121 0.000 0.976 622 E CA -0.731 55.710 56.400 0.068 0.000 0.793 622 E CB 1.727 31.285 29.700 -0.236 0.000 1.311 622 E HN 0.677 nan 8.360 nan 0.000 0.460 623 T N -2.153 112.495 114.554 0.156 0.000 2.881 623 T HA 0.269 4.495 4.350 -0.207 0.000 0.278 623 T C 0.575 175.364 174.700 0.149 0.000 0.982 623 T CA -0.536 61.654 62.100 0.149 0.000 0.989 623 T CB 0.657 69.622 68.868 0.161 0.000 1.058 623 T HN 0.435 nan 8.240 nan 0.000 0.529 624 D N -0.394 120.069 120.400 0.105 0.000 2.336 624 D HA 0.218 4.734 4.640 -0.207 0.000 0.228 624 D C 0.802 177.129 176.300 0.044 0.000 1.120 624 D CA -0.483 53.551 54.000 0.057 0.000 0.839 624 D CB -0.816 39.977 40.800 -0.012 0.000 0.932 624 D HN 0.798 nan 8.370 nan 0.000 0.509 625 A N 1.377 124.287 122.820 0.149 0.000 2.531 625 A HA 0.199 4.395 4.320 -0.207 0.000 0.236 625 A C 0.749 178.405 177.584 0.120 0.000 1.062 625 A CA -0.371 51.764 52.037 0.163 0.000 0.760 625 A CB 0.016 19.210 19.000 0.324 0.000 0.995 625 A HN 0.445 nan 8.150 nan 0.000 0.501 626 K N 1.971 122.391 120.400 0.033 0.000 2.414 626 K HA 0.319 4.515 4.320 -0.207 0.000 0.272 626 K C -0.415 176.130 176.600 -0.092 0.000 0.993 626 K CA 0.011 56.294 56.287 -0.007 0.000 0.964 626 K CB 0.529 33.017 32.500 -0.021 0.000 0.925 626 K HN 0.542 nan 8.250 nan 0.000 0.487 627 R N 0.942 121.272 120.500 -0.283 0.000 2.740 627 R HA 0.429 4.644 4.340 -0.207 0.000 0.282 627 R C -0.827 175.172 176.300 -0.500 0.000 0.969 627 R CA -0.950 54.636 56.100 -0.857 0.000 0.918 627 R CB 1.994 30.965 30.300 -2.215 0.000 1.175 627 R HN 0.872 nan 8.270 nan 0.000 0.464 628 A N 1.552 124.175 122.820 -0.329 0.000 2.328 628 A HA 0.223 4.419 4.320 -0.207 0.000 0.284 628 A C 0.381 178.091 177.584 0.212 0.000 1.160 628 A CA -0.442 51.589 52.037 -0.010 0.000 0.818 628 A CB 0.291 19.298 19.000 0.013 0.000 1.087 628 A HN 0.626 nan 8.150 nan 0.000 0.504 629 D N 1.673 122.222 120.400 0.248 0.000 2.182 629 D HA -0.163 4.353 4.640 -0.207 0.000 0.201 629 D C 2.152 178.534 176.300 0.137 0.000 0.986 629 D CA 2.102 56.203 54.000 0.168 0.000 0.847 629 D CB -0.141 40.690 40.800 0.051 0.000 0.942 629 D HN 0.671 nan 8.370 nan 0.000 0.467 630 S N -0.039 115.777 115.700 0.194 0.000 2.515 630 S HA -0.076 4.270 4.470 -0.207 0.000 0.231 630 S C 0.578 175.350 174.600 0.286 0.000 0.987 630 S CA -0.087 58.268 58.200 0.257 0.000 0.936 630 S CB -0.044 63.251 63.200 0.159 0.000 0.766 630 S HN -0.024 nan 8.310 nan 0.000 0.528 631 D N 2.695 123.265 120.400 0.283 0.000 2.378 631 D HA 0.378 4.894 4.640 -0.207 0.000 0.238 631 D C 0.691 177.204 176.300 0.355 0.000 1.180 631 D CA 0.774 54.939 54.000 0.274 0.000 0.895 631 D CB 0.949 41.886 40.800 0.228 0.000 1.192 631 D HN 0.523 nan 8.370 nan 0.000 0.438 632 T N -2.521 112.147 114.554 0.190 0.000 2.907 632 T HA 0.697 4.923 4.350 -0.207 0.000 0.290 632 T C 0.576 175.211 174.700 -0.108 0.000 1.066 632 T CA -1.031 61.062 62.100 -0.011 0.000 1.012 632 T CB 1.283 70.107 68.868 -0.073 0.000 1.184 632 T HN 0.262 nan 8.240 nan 0.000 0.522 633 G N 0.743 109.276 108.800 -0.446 0.000 2.664 633 G HA2 0.501 4.337 3.960 -0.207 0.000 0.242 633 G HA3 0.501 4.337 3.960 -0.207 0.000 0.242 633 G C -0.579 174.298 174.900 -0.039 0.000 1.225 633 G CA -0.457 44.440 45.100 -0.338 0.000 0.849 633 G HN 0.701 nan 8.290 nan 0.000 0.581 634 K N -0.787 119.646 120.400 0.054 0.000 2.480 634 K HA 0.506 4.702 4.320 -0.207 0.000 0.258 634 K C -0.031 176.710 176.600 0.234 0.000 0.990 634 K CA -0.746 55.635 56.287 0.156 0.000 0.857 634 K CB 1.875 34.526 32.500 0.251 0.000 1.384 634 K HN 0.519 nan 8.250 nan 0.000 0.446 635 V N -1.175 118.910 119.914 0.285 0.000 2.997 635 V HA 0.485 4.481 4.120 -0.207 0.000 0.311 635 V C 0.067 176.440 176.094 0.464 0.000 1.066 635 V CA -1.038 61.504 62.300 0.402 0.000 1.039 635 V CB 0.997 32.956 31.823 0.227 0.000 1.081 635 V HN 0.599 nan 8.190 nan 0.000 0.467 636 L N 3.613 125.015 121.223 0.299 0.000 2.350 636 L HA 0.521 4.737 4.340 -0.207 0.000 0.275 636 L C -1.626 175.266 176.870 0.036 0.000 1.099 636 L CA -1.352 53.491 54.840 0.005 0.000 0.808 636 L CB 1.201 42.973 42.059 -0.479 0.000 1.149 636 L HN 0.503 nan 8.230 nan 0.000 0.442 637 P HA -0.099 nan 4.420 nan 0.000 0.216 637 P C -0.124 177.195 177.300 0.032 0.000 1.150 637 P CA 0.880 64.001 63.100 0.035 0.000 0.837 637 P CB 0.194 31.909 31.700 0.024 0.000 0.786 638 S N -1.493 114.223 115.700 0.026 0.000 2.585 638 S HA 0.529 4.875 4.470 -0.207 0.000 0.277 638 S C 1.048 175.677 174.600 0.049 0.000 1.241 638 S CA -0.260 57.974 58.200 0.057 0.000 1.041 638 S CB 0.782 64.048 63.200 0.110 0.000 0.987 638 S HN 0.037 nan 8.310 nan 0.000 0.512 639 A N 3.816 126.677 122.820 0.069 0.000 2.218 639 A HA 0.279 4.475 4.320 -0.207 0.000 0.209 639 A C 0.504 178.136 177.584 0.079 0.000 1.168 639 A CA -0.110 51.962 52.037 0.058 0.000 0.804 639 A CB -0.385 18.642 19.000 0.045 0.000 0.834 639 A HN 0.762 nan 8.150 nan 0.000 0.482 640 F N 1.594 121.510 119.950 -0.057 0.000 2.661 640 F HA 0.424 4.827 4.527 -0.207 0.000 0.356 640 F C -0.506 175.264 175.800 -0.050 0.000 1.244 640 F CA -0.347 57.590 58.000 -0.104 0.000 1.290 640 F CB 0.041 38.940 39.000 -0.168 0.000 1.677 640 F HN -0.096 nan 8.300 nan 0.000 0.649 641 V N 2.796 122.598 119.914 -0.187 0.000 2.655 641 V HA 0.870 4.866 4.120 -0.207 0.000 0.301 641 V C -0.024 176.016 176.094 -0.090 0.000 1.082 641 V CA -0.319 61.923 62.300 -0.097 0.000 0.899 641 V CB 1.126 32.948 31.823 -0.002 0.000 1.014 641 V HN 0.702 nan 8.190 nan 0.000 0.429 642 G N 2.845 111.600 108.800 -0.075 0.000 2.315 642 G HA2 0.524 4.360 3.960 -0.207 0.000 0.294 642 G HA3 0.524 4.360 3.960 -0.207 0.000 0.294 642 G C -1.181 173.721 174.900 0.003 0.000 1.300 642 G CA -0.320 44.799 45.100 0.032 0.000 0.843 642 G HN 0.518 nan 8.290 nan 0.000 0.527 643 T N 0.413 114.944 114.554 -0.038 0.000 2.841 643 T HA 0.626 4.852 4.350 -0.207 0.000 0.285 643 T C -0.387 174.188 174.700 -0.208 0.000 0.991 643 T CA -0.270 61.767 62.100 -0.106 0.000 0.966 643 T CB 1.556 70.354 68.868 -0.117 0.000 0.962 643 T HN 0.736 nan 8.240 nan 0.000 0.438 644 S N 2.796 118.428 115.700 -0.115 0.000 2.420 644 S HA 0.391 4.737 4.470 -0.207 0.000 0.313 644 S C -0.226 174.329 174.600 -0.076 0.000 1.079 644 S CA -0.796 57.334 58.200 -0.117 0.000 1.104 644 S CB 0.088 63.255 63.200 -0.054 0.000 0.969 644 S HN 0.625 nan 8.310 nan 0.000 0.471 645 K N 4.779 125.117 120.400 -0.103 0.000 2.227 645 K HA 0.308 4.504 4.320 -0.207 0.000 0.280 645 K C 0.620 177.207 176.600 -0.022 0.000 1.041 645 K CA -0.664 55.587 56.287 -0.059 0.000 0.905 645 K CB 0.946 33.393 32.500 -0.088 0.000 1.068 645 K HN 0.588 nan 8.250 nan 0.000 0.470 646 L N 3.688 124.919 121.223 0.013 0.000 2.145 646 L HA 0.138 4.354 4.340 -0.207 0.000 0.201 646 L C -0.176 176.703 176.870 0.016 0.000 1.075 646 L CA 1.679 56.536 54.840 0.028 0.000 0.773 646 L CB -0.012 42.084 42.059 0.062 0.000 0.936 646 L HN 0.975 nan 8.230 nan 0.000 0.451 647 D N -2.649 117.759 120.400 0.014 0.000 2.825 647 D HA 0.225 4.740 4.640 -0.207 0.000 0.327 647 D C -1.212 175.092 176.300 0.007 0.000 1.277 647 D CA -0.284 53.722 54.000 0.010 0.000 0.950 647 D CB 0.216 41.025 40.800 0.015 0.000 1.438 647 D HN 0.004 nan 8.370 nan 0.000 0.526 648 D N -1.240 119.167 120.400 0.011 0.000 2.863 648 D HA 0.567 5.083 4.640 -0.207 0.000 0.323 648 D C 0.113 176.427 176.300 0.022 0.000 1.286 648 D CA -0.011 54.004 54.000 0.024 0.000 0.921 648 D CB -0.125 40.692 40.800 0.027 0.000 1.024 648 D HN 0.818 nan 8.370 nan 0.000 0.505 649 A N 1.506 124.327 122.820 0.002 0.000 3.962 649 A HA -0.116 4.080 4.320 -0.207 0.000 0.177 649 A C -0.109 177.462 177.584 -0.021 0.000 1.649 649 A CA -0.382 51.637 52.037 -0.031 0.000 1.820 649 A CB -1.403 17.569 19.000 -0.047 0.000 0.453 649 A HN 0.441 nan 8.150 nan 0.000 0.585 650 N N -0.652 118.050 118.700 0.004 0.000 2.761 650 N HA 0.844 5.460 4.740 -0.207 0.000 0.283 650 N C -0.122 175.403 175.510 0.026 0.000 1.377 650 N CA 0.325 53.390 53.050 0.025 0.000 0.791 650 N CB 2.175 40.693 38.487 0.052 0.000 1.540 650 N HN 1.770 nan 8.380 nan 0.000 0.539 651 A N -0.605 122.238 122.820 0.039 0.000 2.349 651 A HA 0.451 4.647 4.320 -0.207 0.000 0.295 651 A C -1.365 176.230 177.584 0.019 0.000 0.941 651 A CA -0.462 51.582 52.037 0.013 0.000 0.525 651 A CB -0.287 18.706 19.000 -0.011 0.000 1.555 651 A HN 0.703 nan 8.150 nan 0.000 0.609 652 T N -1.366 113.181 114.554 -0.011 0.000 3.034 652 T HA 0.684 4.910 4.350 -0.207 0.000 0.329 652 T C -0.630 174.033 174.700 -0.062 0.000 1.789 652 T CA 0.281 62.367 62.100 -0.022 0.000 1.020 652 T CB 0.042 68.909 68.868 -0.002 0.000 1.965 652 T HN 2.639 nan 8.240 nan 0.000 0.540 653 A N 0.989 123.756 122.820 -0.088 0.000 2.606 653 A HA 0.971 5.167 4.320 -0.207 0.000 0.293 653 A C -0.648 177.005 177.584 0.116 0.000 1.082 653 A CA -0.493 51.567 52.037 0.039 0.000 0.685 653 A CB 2.437 21.519 19.000 0.136 0.000 1.284 653 A HN 0.965 nan 8.150 nan 0.000 0.408 654 T N 0.514 115.142 114.554 0.124 0.000 2.864 654 T HA 0.720 4.946 4.350 -0.207 0.000 0.299 654 T C -1.396 173.457 174.700 0.256 0.000 1.166 654 T CA -0.370 61.835 62.100 0.175 0.000 1.007 654 T CB 1.221 70.085 68.868 -0.007 0.000 1.219 654 T HN 0.998 nan 8.240 nan 0.000 0.506 655 M N 3.431 123.257 119.600 0.377 0.000 2.183 655 M HA 0.359 4.715 4.480 -0.207 0.000 0.277 655 M C -1.629 174.942 176.300 0.451 0.000 0.995 655 M CA -0.633 54.895 55.300 0.380 0.000 0.969 655 M CB 1.579 34.495 32.600 0.525 0.000 1.659 655 M HN 0.562 nan 8.290 nan 0.000 0.462 656 D N 4.736 125.400 120.400 0.441 0.000 2.498 656 D HA 0.119 4.635 4.640 -0.207 0.000 0.229 656 D C -1.317 175.225 176.300 0.404 0.000 1.188 656 D CA 0.212 54.530 54.000 0.530 0.000 1.028 656 D CB -0.183 40.927 40.800 0.517 0.000 1.087 656 D HN 0.404 nan 8.370 nan 0.000 0.510 657 F N 2.452 122.570 119.950 0.280 0.000 2.410 657 F HA 0.422 4.825 4.527 -0.207 0.000 0.348 657 F C -0.202 175.708 175.800 0.183 0.000 1.106 657 F CA -0.260 57.869 58.000 0.215 0.000 1.163 657 F CB 1.128 40.284 39.000 0.259 0.000 1.129 657 F HN -0.017 nan 8.300 nan 0.000 0.516 658 T N 6.390 120.532 114.554 -0.687 0.000 2.876 658 T HA 0.268 4.494 4.350 -0.207 0.000 0.289 658 T C -0.395 173.707 174.700 -0.996 0.000 1.014 658 T CA -0.946 60.755 62.100 -0.665 0.000 0.986 658 T CB 1.191 69.915 68.868 -0.241 0.000 1.021 658 T HN 0.717 nan 8.240 nan 0.000 0.458 659 N N 1.753 120.068 118.700 -0.641 0.000 2.364 659 N HA 0.087 4.703 4.740 -0.207 0.000 0.264 659 N C 1.578 177.116 175.510 0.046 0.000 1.263 659 N CA -0.946 52.005 53.050 -0.166 0.000 0.959 659 N CB 0.396 38.983 38.487 0.166 0.000 1.204 659 N HN 0.870 nan 8.380 nan 0.000 0.550 660 W N 0.108 121.519 121.300 0.185 0.000 2.392 660 W HA -0.068 4.468 4.660 -0.207 0.000 0.279 660 W C 0.068 176.662 176.519 0.125 0.000 1.225 660 W CA 1.069 58.536 57.345 0.203 0.000 1.233 660 W CB -1.172 28.439 29.460 0.251 0.000 1.122 660 W HN 0.618 nan 8.180 nan 0.000 0.561 661 N N 0.504 118.680 118.700 -0.874 0.000 2.235 661 N HA 0.018 4.634 4.740 -0.207 0.000 0.231 661 N C 0.040 175.287 175.510 -0.438 0.000 1.177 661 N CA -0.019 52.509 53.050 -0.870 0.000 0.874 661 N CB -0.617 36.941 38.487 -1.548 0.000 1.097 661 N HN -0.000 nan 8.380 nan 0.000 0.518 662 Q N -0.461 119.172 119.800 -0.278 0.000 2.435 662 Q HA -0.171 4.045 4.340 -0.207 0.000 0.312 662 Q C 0.324 176.229 176.000 -0.160 0.000 1.333 662 Q CA 1.473 57.173 55.803 -0.171 0.000 0.883 662 Q CB -2.679 25.991 28.738 -0.115 0.000 1.170 662 Q HN 0.733 nan 8.270 nan 0.000 0.443 663 T N -3.973 110.476 114.554 -0.175 0.000 2.985 663 T HA 0.457 4.683 4.350 -0.207 0.000 0.254 663 T C 0.345 175.017 174.700 -0.047 0.000 1.021 663 T CA 0.124 62.160 62.100 -0.107 0.000 0.957 663 T CB 0.549 69.350 68.868 -0.112 0.000 1.047 663 T HN 0.315 nan 8.240 nan 0.000 0.511 664 L N 2.165 123.365 121.223 -0.038 0.000 2.422 664 L HA 0.741 4.957 4.340 -0.207 0.000 0.264 664 L C -1.055 175.821 176.870 0.009 0.000 0.984 664 L CA -0.394 54.465 54.840 0.032 0.000 0.819 664 L CB 2.353 44.492 42.059 0.133 0.000 1.330 664 L HN 0.321 nan 8.230 nan 0.000 0.410 665 T N 1.468 116.049 114.554 0.045 0.000 2.916 665 T HA 0.971 5.197 4.350 -0.207 0.000 0.292 665 T C -0.688 174.102 174.700 0.151 0.000 1.055 665 T CA -0.374 61.764 62.100 0.063 0.000 1.009 665 T CB 2.017 70.881 68.868 -0.007 0.000 1.118 665 T HN 1.004 nan 8.240 nan 0.000 0.497 666 A N 1.198 124.175 122.820 0.262 0.000 2.589 666 A HA 0.610 4.805 4.320 -0.207 0.000 0.296 666 A C -1.465 176.268 177.584 0.248 0.000 1.062 666 A CA -0.907 51.230 52.037 0.167 0.000 0.686 666 A CB 0.962 20.102 19.000 0.234 0.000 1.282 666 A HN 0.917 nan 8.150 nan 0.000 0.404 667 H N 1.887 120.939 119.070 -0.031 0.000 2.820 667 H HA 0.340 4.772 4.556 -0.207 0.000 0.278 667 H C -0.410 174.884 175.328 -0.057 0.000 1.142 667 H CA 0.176 56.182 56.048 -0.069 0.000 1.346 667 H CB 0.387 29.888 29.762 -0.434 0.000 1.438 667 H HN 0.453 nan 8.280 nan 0.000 0.473 668 K N 2.264 122.739 120.400 0.126 0.000 2.213 668 K HA 0.526 4.722 4.320 -0.207 0.000 0.270 668 K C -0.284 176.005 176.600 -0.519 0.000 1.002 668 K CA -0.487 55.673 56.287 -0.211 0.000 0.868 668 K CB 1.599 34.025 32.500 -0.124 0.000 1.093 668 K HN 0.356 nan 8.250 nan 0.000 0.454 669 S N 1.695 116.972 115.700 -0.704 0.000 2.599 669 S HA 0.546 4.892 4.470 -0.207 0.000 0.287 669 S C -1.336 172.764 174.600 -0.834 0.000 1.105 669 S CA -0.936 56.930 58.200 -0.557 0.000 0.899 669 S CB 1.271 64.411 63.200 -0.099 0.000 1.100 669 S HN 0.446 nan 8.310 nan 0.000 0.482 670 W N 1.437 122.540 121.300 -0.328 0.000 2.883 670 W HA 0.501 5.037 4.660 -0.206 0.000 0.335 670 W C -1.949 174.222 176.519 -0.581 0.000 1.083 670 W CA -0.745 56.399 57.345 -0.336 0.000 1.233 670 W CB 1.310 30.613 29.460 -0.261 0.000 1.412 670 W HN 0.524 nan 8.180 nan 0.000 0.490 671 F N 2.515 122.509 119.950 0.072 0.000 2.532 671 F HA 0.381 4.784 4.527 -0.207 0.000 0.365 671 F C 0.233 176.041 175.800 0.013 0.000 1.112 671 F CA -0.688 57.352 58.000 0.068 0.000 1.082 671 F CB 0.907 39.948 39.000 0.069 0.000 1.319 671 F HN -0.063 nan 8.300 nan 0.000 0.457 672 M N 4.765 124.419 119.600 0.090 0.000 2.156 672 M HA 0.314 4.670 4.480 -0.207 0.000 0.345 672 M C -0.335 176.002 176.300 0.062 0.000 1.398 672 M CA 0.235 55.541 55.300 0.011 0.000 1.148 672 M CB 0.525 33.120 32.600 -0.009 0.000 1.663 672 M HN 0.497 nan 8.290 nan 0.000 0.464 673 L N 4.348 125.606 121.223 0.058 0.000 2.839 673 L HA 0.283 4.498 4.340 -0.207 0.000 0.259 673 L C 0.846 177.739 176.870 0.039 0.000 1.369 673 L CA -0.126 54.749 54.840 0.059 0.000 0.845 673 L CB -0.040 42.062 42.059 0.071 0.000 1.181 673 L HN 0.877 nan 8.230 nan 0.000 0.529 674 K N 1.238 121.654 120.400 0.027 0.000 10.062 674 K HA -0.295 3.901 4.320 -0.207 0.000 0.515 674 K C 0.519 177.160 176.600 0.068 0.000 0.373 674 K CA 2.455 58.746 56.287 0.007 0.000 1.953 674 K CB -0.864 31.631 32.500 -0.008 0.000 0.729 674 K HN 0.657 nan 8.250 nan 0.000 1.124 675 D N 1.113 121.592 120.400 0.133 0.000 2.501 675 D HA 0.197 4.713 4.640 -0.207 0.000 0.224 675 D C -0.248 176.176 176.300 0.207 0.000 1.202 675 D CA 0.092 54.260 54.000 0.279 0.000 0.829 675 D CB 0.275 41.171 40.800 0.160 0.000 1.023 675 D HN 0.561 nan 8.370 nan 0.000 0.499 676 K N -0.734 119.751 120.400 0.142 0.000 2.625 676 K HA 0.531 4.727 4.320 -0.207 0.000 0.284 676 K C -1.917 174.683 176.600 -0.000 0.000 0.984 676 K CA -0.915 55.383 56.287 0.019 0.000 0.865 676 K CB 0.764 33.287 32.500 0.037 0.000 1.468 676 K HN -0.116 nan 8.250 nan 0.000 0.407 677 I N 1.234 121.783 120.570 -0.035 0.000 2.499 677 I HA 0.430 4.476 4.170 -0.207 0.000 0.288 677 I C -0.588 175.606 176.117 0.128 0.000 1.048 677 I CA -0.479 60.771 61.300 -0.083 0.000 1.062 677 I CB 1.980 39.678 38.000 -0.504 0.000 1.238 677 I HN 0.839 nan 8.210 nan 0.000 0.426 678 A N 5.858 128.798 122.820 0.199 0.000 2.331 678 A HA 0.780 4.976 4.320 -0.207 0.000 0.283 678 A C -1.055 176.660 177.584 0.218 0.000 1.142 678 A CA -0.110 52.121 52.037 0.323 0.000 0.812 678 A CB 0.075 19.285 19.000 0.349 0.000 1.074 678 A HN 0.460 nan 8.150 nan 0.000 0.497 679 F N 2.231 122.136 119.950 -0.076 0.000 2.375 679 F HA 0.488 4.891 4.527 -0.207 0.000 0.361 679 F C -0.068 175.682 175.800 -0.083 0.000 1.117 679 F CA -0.341 57.531 58.000 -0.214 0.000 1.037 679 F CB 1.411 40.001 39.000 -0.682 0.000 1.192 679 F HN 0.320 nan 8.300 nan 0.000 0.452 680 L N 3.061 124.332 121.223 0.081 0.000 2.346 680 L HA 0.842 5.058 4.340 -0.207 0.000 0.276 680 L C 0.175 176.737 176.870 -0.514 0.000 1.006 680 L CA -0.837 53.940 54.840 -0.105 0.000 0.817 680 L CB 2.092 44.150 42.059 -0.002 0.000 1.272 680 L HN 0.716 nan 8.230 nan 0.000 0.421 681 G N 0.907 108.979 108.800 -1.213 0.000 2.643 681 G HA2 0.638 4.474 3.960 -0.207 0.000 0.305 681 G HA3 0.638 4.474 3.960 -0.207 0.000 0.305 681 G C -0.869 173.660 174.900 -0.619 0.000 1.387 681 G CA -0.266 44.134 45.100 -1.167 0.000 0.982 681 G HN 0.603 nan 8.290 nan 0.000 0.501 682 S N 0.719 116.217 115.700 -0.337 0.000 2.704 682 S HA 0.593 4.939 4.470 -0.207 0.000 0.296 682 S C 0.367 174.791 174.600 -0.293 0.000 1.138 682 S CA -0.389 57.658 58.200 -0.255 0.000 0.875 682 S CB 1.644 64.738 63.200 -0.176 0.000 1.151 682 S HN 1.135 nan 8.310 nan 0.000 0.500 683 N N -0.364 118.167 118.700 -0.282 0.000 2.747 683 N HA -0.141 4.475 4.740 -0.207 0.000 0.249 683 N C -1.043 174.315 175.510 -0.254 0.000 1.107 683 N CA 0.321 53.165 53.050 -0.343 0.000 0.707 683 N CB -1.098 36.953 38.487 -0.726 0.000 1.054 683 N HN 0.709 nan 8.380 nan 0.000 0.555 684 I N 1.837 122.294 120.570 -0.189 0.000 2.379 684 I HA 0.074 4.120 4.170 -0.207 0.000 0.290 684 I C 0.416 176.488 176.117 -0.075 0.000 1.063 684 I CA 0.426 61.647 61.300 -0.133 0.000 1.351 684 I CB 1.016 38.876 38.000 -0.234 0.000 1.410 684 I HN 0.131 nan 8.210 nan 0.000 0.505 685 Q N 5.173 124.952 119.800 -0.036 0.000 2.397 685 Q HA 0.482 4.697 4.340 -0.207 0.000 0.275 685 Q C -0.956 175.051 176.000 0.012 0.000 1.090 685 Q CA -1.032 54.759 55.803 -0.019 0.000 0.809 685 Q CB 2.805 31.517 28.738 -0.043 0.000 1.362 685 Q HN 0.470 nan 8.270 nan 0.000 0.431 686 N N 0.046 118.755 118.700 0.016 0.000 2.500 686 N HA 0.173 4.789 4.740 -0.207 0.000 0.291 686 N C -0.583 174.932 175.510 0.008 0.000 1.092 686 N CA -0.291 52.775 53.050 0.026 0.000 0.890 686 N CB 1.674 40.193 38.487 0.052 0.000 1.466 686 N HN 0.651 nan 8.380 nan 0.000 0.507 687 T N -0.905 113.645 114.554 -0.007 0.000 3.086 687 T HA 0.174 4.400 4.350 -0.207 0.000 0.250 687 T C 0.827 175.518 174.700 -0.014 0.000 1.074 687 T CA 0.002 62.093 62.100 -0.015 0.000 0.988 687 T CB -0.293 68.558 68.868 -0.027 0.000 0.988 687 T HN 0.412 nan 8.240 nan 0.000 0.530 688 S N 1.254 116.950 115.700 -0.006 0.000 2.730 688 S HA 0.429 4.775 4.470 -0.207 0.000 0.284 688 S C 1.136 175.742 174.600 0.010 0.000 1.153 688 S CA -0.016 58.182 58.200 -0.003 0.000 0.995 688 S CB 1.307 64.506 63.200 -0.001 0.000 1.058 688 S HN 0.349 nan 8.310 nan 0.000 0.552 689 T N -1.920 112.641 114.554 0.011 0.000 3.122 689 T HA 0.219 4.445 4.350 -0.207 0.000 0.250 689 T C -0.102 174.611 174.700 0.021 0.000 1.067 689 T CA -0.379 61.729 62.100 0.014 0.000 0.966 689 T CB -0.602 68.272 68.868 0.009 0.000 1.002 689 T HN 0.572 nan 8.240 nan 0.000 0.542 690 D N 3.206 123.625 120.400 0.032 0.000 2.329 690 D HA 0.248 4.764 4.640 -0.207 0.000 0.246 690 D C 0.471 176.797 176.300 0.043 0.000 1.111 690 D CA 0.044 54.070 54.000 0.042 0.000 0.941 690 D CB 1.385 42.227 40.800 0.071 0.000 1.169 690 D HN 0.424 nan 8.370 nan 0.000 0.441 691 T N -2.290 112.286 114.554 0.037 0.000 2.909 691 T HA 0.595 4.821 4.350 -0.207 0.000 0.289 691 T C -0.171 174.565 174.700 0.060 0.000 1.005 691 T CA -0.947 61.175 62.100 0.036 0.000 1.084 691 T CB 1.494 70.369 68.868 0.013 0.000 0.975 691 T HN 0.398 nan 8.240 nan 0.000 0.509 692 A N 1.533 124.402 122.820 0.081 0.000 2.325 692 A HA 0.952 5.148 4.320 -0.207 0.000 0.333 692 A C -0.043 177.599 177.584 0.097 0.000 1.155 692 A CA -0.638 51.478 52.037 0.131 0.000 0.814 692 A CB 0.943 20.059 19.000 0.194 0.000 1.206 692 A HN 1.706 nan 8.150 nan 0.000 0.482 693 A N 0.667 123.549 122.820 0.103 0.000 2.608 693 A HA 0.775 4.971 4.320 -0.207 0.000 0.292 693 A C -0.542 177.082 177.584 0.066 0.000 1.066 693 A CA -0.430 51.566 52.037 -0.069 0.000 0.676 693 A CB 0.932 19.874 19.000 -0.098 0.000 1.277 693 A HN 0.875 nan 8.150 nan 0.000 0.413 694 T N 1.797 116.339 114.554 -0.020 0.000 2.779 694 T HA 0.532 4.758 4.350 -0.207 0.000 0.280 694 T C -0.214 174.463 174.700 -0.039 0.000 0.987 694 T CA -0.018 62.124 62.100 0.070 0.000 0.966 694 T CB 1.088 70.035 68.868 0.133 0.000 0.933 694 T HN 0.586 nan 8.240 nan 0.000 0.442 695 T N 4.475 119.026 114.554 -0.005 0.000 2.738 695 T HA 0.228 4.454 4.350 -0.207 0.000 0.294 695 T C 1.681 176.372 174.700 -0.015 0.000 0.914 695 T CA -0.251 61.837 62.100 -0.020 0.000 1.052 695 T CB -0.019 68.857 68.868 0.014 0.000 0.897 695 T HN 0.457 nan 8.240 nan 0.000 0.522 696 I N 1.475 121.966 120.570 -0.131 0.000 2.353 696 I HA 0.021 4.067 4.170 -0.207 0.000 0.248 696 I C 1.050 177.136 176.117 -0.051 0.000 1.119 696 I CA 1.075 62.227 61.300 -0.245 0.000 1.417 696 I CB 0.248 37.899 38.000 -0.580 0.000 1.078 696 I HN 0.511 nan 8.210 nan 0.000 0.421 697 D N -0.844 119.519 120.400 -0.062 0.000 2.623 697 D HA 0.235 4.751 4.640 -0.207 0.000 0.241 697 D C -1.397 174.905 176.300 0.003 0.000 1.241 697 D CA -0.421 53.615 54.000 0.061 0.000 0.788 697 D CB 1.778 42.637 40.800 0.099 0.000 1.413 697 D HN -0.091 nan 8.370 nan 0.000 0.429 698 Q N 2.327 122.150 119.800 0.039 0.000 2.786 698 Q HA 0.366 4.582 4.340 -0.207 0.000 0.240 698 Q C -1.421 174.726 176.000 0.246 0.000 0.928 698 Q CA -0.673 55.183 55.803 0.088 0.000 0.721 698 Q CB 1.133 29.863 28.738 -0.014 0.000 1.318 698 Q HN 0.168 nan 8.270 nan 0.000 0.474 699 R N 2.298 122.948 120.500 0.249 0.000 2.338 699 R HA 0.316 4.532 4.340 -0.207 0.000 0.317 699 R C -1.045 175.351 176.300 0.160 0.000 0.968 699 R CA -0.376 55.895 56.100 0.284 0.000 0.849 699 R CB 1.064 31.437 30.300 0.121 0.000 1.128 699 R HN 0.342 nan 8.270 nan 0.000 0.448 700 K N 4.681 125.058 120.400 -0.039 0.000 2.322 700 K HA 0.233 4.429 4.320 -0.207 0.000 0.283 700 K C -0.679 175.700 176.600 -0.367 0.000 1.042 700 K CA -0.253 55.569 56.287 -0.776 0.000 0.958 700 K CB 0.487 32.334 32.500 -1.088 0.000 0.984 700 K HN 0.506 nan 8.250 nan 0.000 0.473 701 L N 3.130 124.135 121.223 -0.364 0.000 2.375 701 L HA 0.379 4.595 4.340 -0.207 0.000 0.268 701 L C -0.034 176.716 176.870 -0.198 0.000 1.058 701 L CA -0.829 53.910 54.840 -0.168 0.000 0.803 701 L CB 1.483 43.485 42.059 -0.096 0.000 1.212 701 L HN 0.650 nan 8.230 nan 0.000 0.451 702 E N -0.240 119.861 120.200 -0.165 0.000 2.151 702 E HA 0.140 4.366 4.350 -0.207 0.000 0.275 702 E C 0.348 176.874 176.600 -0.123 0.000 0.936 702 E CA -0.265 56.049 56.400 -0.144 0.000 0.777 702 E CB 1.757 31.373 29.700 -0.141 0.000 1.108 702 E HN 0.685 nan 8.360 nan 0.000 0.401 703 S N 1.447 117.091 115.700 -0.094 0.000 2.419 703 S HA -0.207 4.139 4.470 -0.207 0.000 0.233 703 S C 1.938 176.497 174.600 -0.068 0.000 1.016 703 S CA 1.329 59.485 58.200 -0.073 0.000 0.974 703 S CB -0.208 62.960 63.200 -0.053 0.000 0.786 703 S HN 0.496 nan 8.310 nan 0.000 0.492 704 S N 1.328 116.987 115.700 -0.067 0.000 2.428 704 S HA 0.064 4.410 4.470 -0.207 0.000 0.230 704 S C 0.883 175.436 174.600 -0.078 0.000 1.014 704 S CA 0.508 58.674 58.200 -0.057 0.000 0.957 704 S CB -0.491 62.684 63.200 -0.041 0.000 0.784 704 S HN 0.472 nan 8.310 nan 0.000 0.499 705 N N 2.664 121.291 118.700 -0.122 0.000 2.841 705 N HA 0.418 5.034 4.740 -0.207 0.000 0.257 705 N C -3.127 172.228 175.510 -0.258 0.000 1.396 705 N CA -1.635 51.310 53.050 -0.175 0.000 0.823 705 N CB 1.316 39.687 38.487 -0.194 0.000 1.162 705 N HN 0.270 nan 8.380 nan 0.000 0.503 706 P HA 0.102 nan 4.420 nan 0.000 0.269 706 P C -0.702 176.498 177.300 -0.167 0.000 1.209 706 P CA 0.129 63.142 63.100 -0.143 0.000 0.776 706 P CB 0.627 32.290 31.700 -0.061 0.000 0.876 707 Y N 0.807 121.079 120.300 -0.047 0.000 2.308 707 Y HA 0.287 4.713 4.550 -0.207 0.000 0.329 707 Y C 1.325 177.196 175.900 -0.049 0.000 1.111 707 Y CA -0.145 57.925 58.100 -0.050 0.000 1.179 707 Y CB 1.143 39.560 38.460 -0.071 0.000 1.201 707 Y HN 0.257 nan 8.280 nan 0.000 0.483 708 K N 2.916 123.412 120.400 0.159 0.000 2.227 708 K HA 0.539 4.735 4.320 -0.207 0.000 0.280 708 K C -1.445 175.142 176.600 -0.022 0.000 1.041 708 K CA -0.417 55.878 56.287 0.013 0.000 0.905 708 K CB 0.586 33.092 32.500 0.009 0.000 1.068 708 K HN 0.489 nan 8.250 nan 0.000 0.470 709 V N 5.644 125.459 119.914 -0.164 0.000 2.427 709 V HA 0.311 4.307 4.120 -0.207 0.000 0.286 709 V C -1.019 174.924 176.094 -0.252 0.000 1.034 709 V CA -0.697 61.526 62.300 -0.130 0.000 0.893 709 V CB 0.577 32.324 31.823 -0.128 0.000 0.982 709 V HN 0.613 nan 8.190 nan 0.000 0.452 710 Y N 2.819 123.131 120.300 0.020 0.000 2.393 710 Y HA 0.701 5.127 4.550 -0.207 0.000 0.341 710 Y C -0.096 175.811 175.900 0.011 0.000 0.988 710 Y CA -1.096 57.032 58.100 0.046 0.000 1.078 710 Y CB 2.070 40.600 38.460 0.118 0.000 1.203 710 Y HN 0.334 nan 8.280 nan 0.000 0.453 711 V N 3.319 123.309 119.914 0.126 0.000 2.444 711 V HA 0.277 4.272 4.120 -0.207 0.000 0.294 711 V C -0.438 175.738 176.094 0.136 0.000 1.022 711 V CA -1.333 60.997 62.300 0.050 0.000 0.850 711 V CB 1.331 33.063 31.823 -0.152 0.000 0.992 711 V HN 0.923 nan 8.190 nan 0.000 0.426 712 N N 3.283 122.084 118.700 0.168 0.000 2.721 712 N HA -0.213 4.402 4.740 -0.207 0.000 0.249 712 N C 0.470 176.073 175.510 0.155 0.000 1.072 712 N CA 1.407 54.555 53.050 0.162 0.000 0.710 712 N CB -1.073 37.490 38.487 0.126 0.000 0.993 712 N HN 1.074 nan 8.380 nan 0.000 0.547 713 D N -2.013 118.502 120.400 0.190 0.000 3.041 713 D HA -0.202 4.314 4.640 -0.207 0.000 0.220 713 D C -0.896 175.550 176.300 0.244 0.000 1.157 713 D CA 1.530 55.621 54.000 0.151 0.000 0.876 713 D CB -0.625 40.204 40.800 0.048 0.000 1.107 713 D HN 0.675 nan 8.370 nan 0.000 0.422 714 K N 0.638 121.206 120.400 0.280 0.000 2.345 714 K HA 0.364 4.560 4.320 -0.207 0.000 0.255 714 K C -0.121 176.585 176.600 0.177 0.000 0.934 714 K CA -0.848 55.583 56.287 0.239 0.000 0.801 714 K CB 1.919 34.501 32.500 0.137 0.000 1.137 714 K HN 0.121 nan 8.250 nan 0.000 0.424 715 E N 1.701 121.922 120.200 0.035 0.000 2.452 715 E HA 0.107 4.333 4.350 -0.207 0.000 0.261 715 E C -1.029 175.507 176.600 -0.105 0.000 0.987 715 E CA -0.121 56.127 56.400 -0.254 0.000 0.926 715 E CB 0.617 30.150 29.700 -0.278 0.000 0.934 715 E HN 0.625 nan 8.360 nan 0.000 0.452 716 A N 3.145 125.884 122.820 -0.136 0.000 2.374 716 A HA 0.480 4.676 4.320 -0.207 0.000 0.317 716 A C -0.981 176.576 177.584 -0.044 0.000 1.094 716 A CA -0.781 51.234 52.037 -0.036 0.000 0.765 716 A CB 1.821 20.786 19.000 -0.057 0.000 1.268 716 A HN 0.531 nan 8.150 nan 0.000 0.438 717 S N 2.327 118.035 115.700 0.013 0.000 2.474 717 S HA 0.495 4.840 4.470 -0.207 0.000 0.320 717 S C -0.218 174.403 174.600 0.035 0.000 1.067 717 S CA -0.469 57.734 58.200 0.005 0.000 1.127 717 S CB 0.095 63.297 63.200 0.004 0.000 0.971 717 S HN 0.548 nan 8.310 nan 0.000 0.472 718 L N 3.441 124.675 121.223 0.019 0.000 2.395 718 L HA 0.494 4.710 4.340 -0.207 0.000 0.269 718 L C 0.974 177.856 176.870 0.020 0.000 1.133 718 L CA -0.290 54.570 54.840 0.033 0.000 0.812 718 L CB 0.833 42.897 42.059 0.009 0.000 1.125 718 L HN 0.677 nan 8.230 nan 0.000 0.452 719 T N -3.060 111.508 114.554 0.022 0.000 2.888 719 T HA 0.243 4.469 4.350 -0.207 0.000 0.288 719 T C 0.641 175.345 174.700 0.007 0.000 1.063 719 T CA -0.841 61.265 62.100 0.009 0.000 1.010 719 T CB 1.993 70.863 68.868 0.003 0.000 1.214 719 T HN 0.528 nan 8.240 nan 0.000 0.533 720 E N -0.008 120.192 120.200 0.001 0.000 2.085 720 E HA -0.130 4.096 4.350 -0.207 0.000 0.194 720 E C 0.803 177.399 176.600 -0.007 0.000 0.994 720 E CA 0.984 57.384 56.400 -0.001 0.000 0.801 720 E CB 0.069 29.766 29.700 -0.004 0.000 0.743 720 E HN 0.633 nan 8.360 nan 0.000 0.453 721 Q N 1.443 121.237 119.800 -0.011 0.000 2.311 721 Q HA -0.020 4.196 4.340 -0.207 0.000 0.272 721 Q C -0.596 175.394 176.000 -0.015 0.000 1.012 721 Q CA 0.051 55.843 55.803 -0.018 0.000 0.891 721 Q CB 0.713 29.437 28.738 -0.023 0.000 1.201 721 Q HN -0.025 nan 8.270 nan 0.000 0.391 722 E N 3.298 123.485 120.200 -0.022 0.000 2.465 722 E HA -0.053 4.173 4.350 -0.207 0.000 0.260 722 E C -1.025 175.554 176.600 -0.036 0.000 0.980 722 E CA 0.513 56.901 56.400 -0.020 0.000 0.927 722 E CB 0.533 30.214 29.700 -0.032 0.000 0.934 722 E HN 0.351 nan 8.360 nan 0.000 0.459 723 K N 3.798 124.184 120.400 -0.022 0.000 2.270 723 K HA 0.270 4.466 4.320 -0.207 0.000 0.255 723 K C -1.236 175.248 176.600 -0.194 0.000 0.936 723 K CA -1.013 55.200 56.287 -0.123 0.000 0.809 723 K CB 1.384 33.808 32.500 -0.127 0.000 1.131 723 K HN 0.506 nan 8.250 nan 0.000 0.427 724 D N 1.519 121.731 120.400 -0.314 0.000 2.210 724 D HA 0.185 4.701 4.640 -0.207 0.000 0.249 724 D C -0.794 175.173 176.300 -0.555 0.000 1.062 724 D CA 0.131 53.965 54.000 -0.277 0.000 0.891 724 D CB 0.695 41.387 40.800 -0.181 0.000 1.186 724 D HN 0.332 nan 8.370 nan 0.000 0.432 725 Y N 1.467 121.709 120.300 -0.097 0.000 2.749 725 Y HA 0.245 4.671 4.550 -0.207 0.000 0.343 725 Y C -2.080 173.750 175.900 -0.117 0.000 1.015 725 Y CA -2.080 55.962 58.100 -0.096 0.000 1.270 725 Y CB 1.488 39.886 38.460 -0.103 0.000 1.097 725 Y HN 0.100 nan 8.280 nan 0.000 0.571 726 P HA 0.055 nan 4.420 nan 0.000 0.274 726 P C -0.159 177.132 177.300 -0.016 0.000 1.231 726 P CA 0.114 63.193 63.100 -0.036 0.000 0.790 726 P CB 0.960 32.633 31.700 -0.044 0.000 0.951 727 E N -1.574 118.606 120.200 -0.034 0.000 2.320 727 E HA -0.126 4.100 4.350 -0.207 0.000 0.234 727 E C -0.640 175.953 176.600 -0.012 0.000 1.183 727 E CA 0.883 57.274 56.400 -0.016 0.000 0.713 727 E CB -2.766 26.939 29.700 0.008 0.000 1.226 727 E HN 0.447 nan 8.360 nan 0.000 0.382 728 T N 0.700 115.203 114.554 -0.084 0.000 2.780 728 T HA 0.257 4.483 4.350 -0.207 0.000 0.294 728 T C 1.338 176.013 174.700 -0.042 0.000 0.949 728 T CA -0.107 61.935 62.100 -0.097 0.000 1.074 728 T CB 1.578 70.283 68.868 -0.270 0.000 0.910 728 T HN 0.191 nan 8.240 nan 0.000 0.501 729 Q N 2.512 122.392 119.800 0.133 0.000 2.373 729 Q HA 0.173 4.389 4.340 -0.207 0.000 0.210 729 Q C 0.478 176.768 176.000 0.483 0.000 0.913 729 Q CA 0.187 56.151 55.803 0.268 0.000 0.911 729 Q CB 0.582 29.468 28.738 0.246 0.000 1.040 729 Q HN 0.758 nan 8.270 nan 0.000 0.521 730 S N -1.882 114.090 115.700 0.452 0.000 2.547 730 S HA 0.706 5.052 4.470 -0.207 0.000 0.270 730 S C -1.263 173.596 174.600 0.433 0.000 1.150 730 S CA -0.924 57.612 58.200 0.559 0.000 0.850 730 S CB 1.775 65.327 63.200 0.587 0.000 1.118 730 S HN -0.081 nan 8.310 nan 0.000 0.461 731 V N 2.451 122.634 119.914 0.449 0.000 2.656 731 V HA 0.734 4.730 4.120 -0.207 0.000 0.307 731 V C -1.477 174.755 176.094 0.230 0.000 1.051 731 V CA -0.573 61.890 62.300 0.272 0.000 0.893 731 V CB 1.620 33.528 31.823 0.142 0.000 0.999 731 V HN 0.912 nan 8.190 nan 0.000 0.426 732 F N 5.159 125.088 119.950 -0.034 0.000 2.539 732 F HA 0.669 5.072 4.527 -0.207 0.000 0.318 732 F C -0.791 174.966 175.800 -0.072 0.000 1.135 732 F CA -0.718 57.131 58.000 -0.250 0.000 0.915 732 F CB 1.559 40.317 39.000 -0.402 0.000 1.176 732 F HN 0.302 nan 8.300 nan 0.000 0.440 733 L N 5.702 126.451 121.223 -0.790 0.000 2.264 733 L HA 0.423 4.639 4.340 -0.207 0.000 0.287 733 L C -0.361 176.133 176.870 -0.627 0.000 1.039 733 L CA -0.429 54.008 54.840 -0.672 0.000 0.829 733 L CB 1.299 42.750 42.059 -1.013 0.000 1.211 733 L HN 0.604 nan 8.230 nan 0.000 0.427 734 E N 2.866 123.052 120.200 -0.023 0.000 2.113 734 E HA 0.302 4.528 4.350 -0.207 0.000 0.273 734 E C -0.868 175.911 176.600 0.299 0.000 0.924 734 E CA -0.231 56.290 56.400 0.201 0.000 0.764 734 E CB 1.671 31.679 29.700 0.515 0.000 1.104 734 E HN 0.518 nan 8.360 nan 0.000 0.406 735 S N 2.107 117.927 115.700 0.201 0.000 2.687 735 S HA 0.145 4.491 4.470 -0.207 0.000 0.283 735 S C 1.226 175.851 174.600 0.042 0.000 1.170 735 S CA -0.006 58.206 58.200 0.020 0.000 1.008 735 S CB 1.319 64.474 63.200 -0.075 0.000 1.026 735 S HN 0.636 nan 8.310 nan 0.000 0.541 736 S N 1.216 116.913 115.700 -0.005 0.000 2.442 736 S HA -0.058 4.288 4.470 -0.207 0.000 0.236 736 S C 0.325 174.938 174.600 0.022 0.000 1.007 736 S CA 0.760 58.970 58.200 0.016 0.000 0.965 736 S CB -0.347 62.852 63.200 -0.003 0.000 0.773 736 S HN 0.731 nan 8.310 nan 0.000 0.504 737 D N 0.692 121.098 120.400 0.009 0.000 2.349 737 D HA 0.466 4.982 4.640 -0.207 0.000 0.232 737 D C 0.470 176.797 176.300 0.046 0.000 1.071 737 D CA -0.344 53.670 54.000 0.024 0.000 0.832 737 D CB 1.658 42.463 40.800 0.008 0.000 1.086 737 D HN 0.016 nan 8.370 nan 0.000 0.504 738 S N 2.878 118.616 115.700 0.063 0.000 2.419 738 S HA -0.120 4.226 4.470 -0.207 0.000 0.235 738 S C 1.501 176.146 174.600 0.076 0.000 1.019 738 S CA 0.779 59.029 58.200 0.082 0.000 0.982 738 S CB 0.083 63.332 63.200 0.082 0.000 0.789 738 S HN 0.454 nan 8.310 nan 0.000 0.490 739 K N 1.260 121.704 120.400 0.074 0.000 2.555 739 K HA 0.111 4.307 4.320 -0.207 0.000 0.193 739 K C 1.015 177.663 176.600 0.080 0.000 1.032 739 K CA 0.559 56.899 56.287 0.089 0.000 1.004 739 K CB -0.024 32.536 32.500 0.100 0.000 0.804 739 K HN 0.386 nan 8.250 nan 0.000 0.496 740 K N 0.133 120.570 120.400 0.061 0.000 2.374 740 K HA 0.119 4.315 4.320 -0.207 0.000 0.202 740 K C -0.094 176.567 176.600 0.102 0.000 1.040 740 K CA -0.283 56.047 56.287 0.072 0.000 1.085 740 K CB 0.484 32.996 32.500 0.020 0.000 0.873 740 K HN -0.016 nan 8.250 nan 0.000 0.539 741 N N 1.585 120.298 118.700 0.020 0.000 2.508 741 N HA 0.183 4.799 4.740 -0.207 0.000 0.264 741 N C -0.481 174.834 175.510 -0.325 0.000 1.216 741 N CA 0.382 53.340 53.050 -0.154 0.000 0.943 741 N CB 0.730 39.141 38.487 -0.127 0.000 1.113 741 N HN 0.045 nan 8.380 nan 0.000 0.447 742 I N 0.128 120.319 120.570 -0.633 0.000 2.478 742 I HA 0.436 4.482 4.170 -0.207 0.000 0.287 742 I C 0.475 176.021 176.117 -0.951 0.000 1.042 742 I CA -0.841 60.050 61.300 -0.681 0.000 1.067 742 I CB 2.160 39.812 38.000 -0.579 0.000 1.233 742 I HN 0.377 nan 8.210 nan 0.000 0.431 743 G N 4.745 113.062 108.800 -0.806 0.000 2.453 743 G HA2 0.740 4.576 3.960 -0.207 0.000 0.323 743 G HA3 0.740 4.576 3.960 -0.207 0.000 0.323 743 G C -1.799 172.746 174.900 -0.593 0.000 1.198 743 G CA -0.393 44.243 45.100 -0.773 0.000 0.959 743 G HN 0.412 nan 8.290 nan 0.000 0.482 744 Y N 0.259 120.550 120.300 -0.015 0.000 2.346 744 Y HA 0.500 4.926 4.550 -0.207 0.000 0.332 744 Y C -0.968 174.980 175.900 0.080 0.000 0.985 744 Y CA -1.299 56.753 58.100 -0.079 0.000 1.112 744 Y CB 2.223 40.480 38.460 -0.337 0.000 1.170 744 Y HN 0.482 nan 8.280 nan 0.000 0.447 745 F N 4.917 124.806 119.950 -0.102 0.000 2.375 745 F HA 0.618 5.020 4.527 -0.207 0.000 0.361 745 F C -1.559 173.946 175.800 -0.493 0.000 1.117 745 F CA -2.389 55.506 58.000 -0.174 0.000 1.037 745 F CB 0.277 39.139 39.000 -0.231 0.000 1.192 745 F HN 0.299 nan 8.300 nan 0.000 0.452 746 F N 7.488 127.146 119.950 -0.487 0.000 2.421 746 F HA 0.252 4.655 4.527 -0.207 0.000 0.358 746 F C 0.691 175.962 175.800 -0.881 0.000 1.115 746 F CA -0.312 57.380 58.000 -0.514 0.000 1.160 746 F CB 0.245 39.154 39.000 -0.151 0.000 1.123 746 F HN 0.452 nan 8.300 nan 0.000 0.508 747 F N 1.011 120.658 119.950 -0.505 0.000 2.126 747 F HA -0.122 4.280 4.527 -0.207 0.000 0.299 747 F C 1.098 176.794 175.800 -0.172 0.000 1.096 747 F CA 1.181 58.898 58.000 -0.472 0.000 1.255 747 F CB -0.451 38.422 39.000 -0.212 0.000 0.997 747 F HN 0.163 nan 8.300 nan 0.000 0.479 748 K N -0.013 120.464 120.400 0.128 0.000 2.270 748 K HA 0.298 4.494 4.320 -0.207 0.000 0.255 748 K C -0.471 176.191 176.600 0.104 0.000 0.936 748 K CA -0.654 55.699 56.287 0.110 0.000 0.809 748 K CB 1.338 33.905 32.500 0.113 0.000 1.131 748 K HN -0.155 nan 8.250 nan 0.000 0.427 749 K N 1.204 121.649 120.400 0.074 0.000 2.511 749 K HA 0.108 4.304 4.320 -0.207 0.000 0.280 749 K C -0.408 176.188 176.600 -0.006 0.000 1.008 749 K CA 0.499 56.808 56.287 0.037 0.000 1.050 749 K CB 0.341 32.861 32.500 0.034 0.000 0.889 749 K HN 0.473 nan 8.250 nan 0.000 0.484 750 S N 0.807 116.433 115.700 -0.125 0.000 2.599 750 S HA 0.250 4.596 4.470 -0.207 0.000 0.287 750 S C -0.940 173.515 174.600 -0.242 0.000 1.105 750 S CA -0.879 57.218 58.200 -0.172 0.000 0.899 750 S CB 2.009 65.070 63.200 -0.232 0.000 1.100 750 S HN 0.496 nan 8.310 nan 0.000 0.482 751 S N 2.112 117.719 115.700 -0.154 0.000 2.410 751 S HA 0.628 4.974 4.470 -0.207 0.000 0.304 751 S C -0.248 174.253 174.600 -0.165 0.000 1.095 751 S CA -0.755 57.366 58.200 -0.132 0.000 1.089 751 S CB -0.950 62.206 63.200 -0.073 0.000 0.968 751 S HN 0.575 nan 8.310 nan 0.000 0.480 752 I N 2.132 122.595 120.570 -0.179 0.000 3.170 752 I HA 0.908 4.954 4.170 -0.207 0.000 0.312 752 I C -0.466 175.622 176.117 -0.047 0.000 1.085 752 I CA -0.964 60.236 61.300 -0.167 0.000 0.999 752 I CB 2.275 40.100 38.000 -0.292 0.000 1.233 752 I HN 0.556 nan 8.210 nan 0.000 0.467 753 S N 2.586 118.260 115.700 -0.043 0.000 2.569 753 S HA 0.817 5.163 4.470 -0.207 0.000 0.280 753 S C -0.896 173.714 174.600 0.017 0.000 1.111 753 S CA -0.832 57.384 58.200 0.027 0.000 0.887 753 S CB 1.962 65.143 63.200 -0.031 0.000 1.095 753 S HN 0.764 nan 8.310 nan 0.000 0.476 754 M N 2.047 121.700 119.600 0.089 0.000 2.520 754 M HA 0.607 4.963 4.480 -0.207 0.000 0.283 754 M C -1.199 175.127 176.300 0.044 0.000 1.237 754 M CA -0.486 54.829 55.300 0.025 0.000 0.885 754 M CB 2.730 35.309 32.600 -0.035 0.000 1.727 754 M HN 1.058 nan 8.290 nan 0.000 0.468 755 S N 1.120 116.823 115.700 0.004 0.000 2.570 755 S HA 0.692 5.038 4.470 -0.207 0.000 0.270 755 S C -1.546 173.059 174.600 0.008 0.000 1.149 755 S CA -0.996 57.210 58.200 0.010 0.000 0.837 755 S CB 2.774 65.974 63.200 0.000 0.000 1.124 755 S HN 0.747 nan 8.310 nan 0.000 0.465 756 K N 0.950 121.359 120.400 0.015 0.000 2.502 756 K HA 0.747 4.943 4.320 -0.207 0.000 0.254 756 K C -1.250 175.365 176.600 0.026 0.000 0.947 756 K CA -0.575 55.726 56.287 0.023 0.000 0.834 756 K CB 1.396 33.905 32.500 0.015 0.000 1.112 756 K HN 1.053 nan 8.250 nan 0.000 0.427 757 A N 3.810 126.658 122.820 0.046 0.000 2.549 757 A HA 0.452 4.648 4.320 -0.207 0.000 0.297 757 A C -1.863 175.761 177.584 0.067 0.000 1.061 757 A CA -0.812 51.249 52.037 0.040 0.000 0.690 757 A CB 1.343 20.359 19.000 0.026 0.000 1.287 757 A HN 0.667 nan 8.150 nan 0.000 0.402 758 L N 1.436 122.684 121.223 0.041 0.000 2.361 758 L HA 0.371 4.587 4.340 -0.207 0.000 0.278 758 L C 0.022 176.922 176.870 0.050 0.000 1.113 758 L CA 0.948 55.815 54.840 0.045 0.000 0.849 758 L CB 0.318 42.386 42.059 0.016 0.000 1.155 758 L HN 0.687 nan 8.230 nan 0.000 0.452 759 Q N 5.298 125.155 119.800 0.094 0.000 2.322 759 Q HA 0.473 4.689 4.340 -0.207 0.000 0.265 759 Q C -0.954 175.056 176.000 0.017 0.000 0.985 759 Q CA -0.687 55.138 55.803 0.037 0.000 0.849 759 Q CB 2.136 30.864 28.738 -0.017 0.000 1.274 759 Q HN 0.529 nan 8.270 nan 0.000 0.449 760 K N 0.733 121.119 120.400 -0.023 0.000 2.208 760 K HA 0.862 5.058 4.320 -0.207 0.000 0.247 760 K C -0.404 176.160 176.600 -0.060 0.000 0.953 760 K CA -0.754 55.515 56.287 -0.030 0.000 0.837 760 K CB 2.029 34.519 32.500 -0.017 0.000 1.131 760 K HN 0.748 nan 8.250 nan 0.000 0.431 761 G N -0.162 108.596 108.800 -0.070 0.000 2.451 761 G HA2 0.593 4.429 3.960 -0.207 0.000 0.292 761 G HA3 0.593 4.429 3.960 -0.207 0.000 0.292 761 G C -1.994 172.851 174.900 -0.091 0.000 1.427 761 G CA -0.677 44.365 45.100 -0.096 0.000 0.792 761 G HN 0.620 nan 8.290 nan 0.000 0.498 762 A N -1.042 121.731 122.820 -0.078 0.000 2.413 762 A HA 0.671 4.867 4.320 -0.207 0.000 0.307 762 A C 0.230 177.801 177.584 -0.021 0.000 1.087 762 A CA -0.678 51.349 52.037 -0.017 0.000 0.750 762 A CB 0.915 19.942 19.000 0.046 0.000 1.296 762 A HN 0.850 nan 8.150 nan 0.000 0.423 763 W N 0.898 122.210 121.300 0.019 0.000 2.342 763 W HA -0.119 4.417 4.660 -0.206 0.000 0.297 763 W C 2.113 178.631 176.519 -0.002 0.000 1.213 763 W CA 1.769 59.126 57.345 0.019 0.000 1.251 763 W CB 0.203 29.680 29.460 0.029 0.000 1.136 763 W HN 0.814 nan 8.180 nan 0.000 0.526 764 K N 0.567 121.091 120.400 0.208 0.000 2.211 764 K HA -0.214 3.982 4.320 -0.207 0.000 0.204 764 K C 1.321 177.955 176.600 0.058 0.000 1.047 764 K CA 1.812 58.166 56.287 0.111 0.000 0.935 764 K CB -0.259 32.289 32.500 0.079 0.000 0.728 764 K HN 0.028 nan 8.250 nan 0.000 0.452 765 D N 0.611 121.028 120.400 0.028 0.000 2.158 765 D HA -0.188 4.328 4.640 -0.207 0.000 0.197 765 D C 1.691 177.959 176.300 -0.054 0.000 0.995 765 D CA 1.588 55.576 54.000 -0.019 0.000 0.846 765 D CB -0.052 40.717 40.800 -0.052 0.000 0.941 765 D HN 0.580 nan 8.370 nan 0.000 0.456 766 I N -3.883 116.662 120.570 -0.042 0.000 4.082 766 I HA 0.256 4.301 4.170 -0.207 0.000 0.337 766 I C 0.038 176.136 176.117 -0.032 0.000 1.352 766 I CA -0.279 60.966 61.300 -0.091 0.000 1.097 766 I CB 0.451 38.385 38.000 -0.111 0.000 1.048 766 I HN -0.258 nan 8.210 nan 0.000 0.393 767 N N 1.887 120.610 118.700 0.037 0.000 2.655 767 N HA 0.036 4.652 4.740 -0.207 0.000 0.277 767 N C 0.317 175.861 175.510 0.057 0.000 1.177 767 N CA -0.043 53.040 53.050 0.055 0.000 0.882 767 N CB 1.592 40.132 38.487 0.089 0.000 1.481 767 N HN 0.098 nan 8.380 nan 0.000 0.547 768 E N 2.504 122.731 120.200 0.046 0.000 2.219 768 E HA -0.042 4.184 4.350 -0.207 0.000 0.198 768 E C 1.472 178.094 176.600 0.036 0.000 0.998 768 E CA 2.032 58.458 56.400 0.042 0.000 0.818 768 E CB -0.332 29.396 29.700 0.046 0.000 0.741 768 E HN 0.738 nan 8.360 nan 0.000 0.477 769 G N -0.302 108.515 108.800 0.028 0.000 2.848 769 G HA2 -0.086 3.750 3.960 -0.207 0.000 0.208 769 G HA3 -0.086 3.750 3.960 -0.207 0.000 0.208 769 G C 0.563 175.469 174.900 0.010 0.000 1.152 769 G CA -0.115 44.993 45.100 0.013 0.000 0.789 769 G HN 0.116 nan 8.290 nan 0.000 0.531 770 Q N -0.049 119.772 119.800 0.034 0.000 2.166 770 Q HA 0.370 4.585 4.340 -0.207 0.000 0.226 770 Q C -0.052 175.987 176.000 0.064 0.000 0.989 770 Q CA -0.507 55.320 55.803 0.039 0.000 0.966 770 Q CB 1.016 29.815 28.738 0.103 0.000 1.173 770 Q HN 0.096 nan 8.270 nan 0.000 0.509 771 S N 0.750 116.493 115.700 0.072 0.000 2.562 771 S HA -0.013 4.333 4.470 -0.207 0.000 0.281 771 S C 0.321 174.993 174.600 0.120 0.000 1.333 771 S CA -0.324 57.924 58.200 0.079 0.000 1.052 771 S CB 0.238 63.483 63.200 0.075 0.000 0.884 771 S HN 0.571 nan 8.310 nan 0.000 0.506 772 D N 2.777 123.224 120.400 0.078 0.000 2.328 772 D HA 0.034 4.550 4.640 -0.207 0.000 0.226 772 D C 0.389 176.730 176.300 0.070 0.000 1.066 772 D CA -0.029 54.013 54.000 0.070 0.000 0.861 772 D CB -0.192 40.633 40.800 0.043 0.000 0.912 772 D HN 0.471 nan 8.370 nan 0.000 0.521 773 K N 1.151 121.604 120.400 0.088 0.000 2.401 773 K HA -0.025 4.171 4.320 -0.207 0.000 0.278 773 K C 0.219 176.868 176.600 0.082 0.000 1.018 773 K CA -0.416 55.918 56.287 0.079 0.000 0.981 773 K CB 0.579 33.132 32.500 0.088 0.000 0.933 773 K HN 0.013 nan 8.250 nan 0.000 0.477 774 E N 2.990 123.221 120.200 0.052 0.000 2.384 774 E HA 0.060 4.286 4.350 -0.207 0.000 0.266 774 E C -1.050 175.576 176.600 0.043 0.000 1.012 774 E CA -0.256 56.164 56.400 0.034 0.000 0.901 774 E CB 0.859 30.571 29.700 0.020 0.000 0.967 774 E HN 0.312 nan 8.360 nan 0.000 0.435 775 V N 4.034 123.960 119.914 0.020 0.000 2.864 775 V HA 0.401 4.397 4.120 -0.207 0.000 0.314 775 V C -0.391 175.697 176.094 -0.010 0.000 1.073 775 V CA -0.650 61.660 62.300 0.017 0.000 0.956 775 V CB 1.905 33.722 31.823 -0.009 0.000 1.023 775 V HN 0.792 nan 8.190 nan 0.000 0.435 776 E N 2.483 122.683 120.200 0.000 0.000 2.356 776 E HA 0.625 4.851 4.350 -0.207 0.000 0.275 776 E C -1.741 174.854 176.600 -0.009 0.000 0.904 776 E CA -1.052 55.348 56.400 0.001 0.000 0.757 776 E CB 2.728 32.430 29.700 0.003 0.000 1.232 776 E HN 0.538 nan 8.360 nan 0.000 0.442 777 N N 1.015 119.720 118.700 0.008 0.000 2.484 777 N HA 0.191 4.807 4.740 -0.207 0.000 0.269 777 N C -1.605 173.863 175.510 -0.070 0.000 1.237 777 N CA -0.683 52.308 53.050 -0.099 0.000 0.838 777 N CB 2.445 40.785 38.487 -0.246 0.000 1.593 777 N HN 0.648 nan 8.380 nan 0.000 0.485 778 E N 0.593 120.682 120.200 -0.185 0.000 2.259 778 E HA 0.468 4.694 4.350 -0.207 0.000 0.281 778 E C -1.338 175.091 176.600 -0.284 0.000 1.027 778 E CA -0.062 56.274 56.400 -0.107 0.000 0.838 778 E CB 0.491 30.139 29.700 -0.086 0.000 1.066 778 E HN 0.264 nan 8.360 nan 0.000 0.401 779 F N 3.373 123.283 119.950 -0.066 0.000 2.546 779 F HA 0.369 4.772 4.527 -0.207 0.000 0.320 779 F C -0.705 175.069 175.800 -0.043 0.000 1.076 779 F CA -1.188 56.774 58.000 -0.062 0.000 0.928 779 F CB 1.398 40.339 39.000 -0.098 0.000 1.189 779 F HN 0.284 nan 8.300 nan 0.000 0.465 780 L N 3.023 124.332 121.223 0.144 0.000 2.276 780 L HA 0.576 4.792 4.340 -0.207 0.000 0.286 780 L C -0.597 176.297 176.870 0.040 0.000 1.024 780 L CA -0.113 54.760 54.840 0.054 0.000 0.826 780 L CB 0.346 42.408 42.059 0.004 0.000 1.211 780 L HN 0.588 nan 8.230 nan 0.000 0.422 781 T N 6.818 121.375 114.554 0.005 0.000 2.824 781 T HA 0.689 4.915 4.350 -0.207 0.000 0.280 781 T C 0.013 174.659 174.700 -0.090 0.000 0.995 781 T CA -0.213 61.866 62.100 -0.035 0.000 1.009 781 T CB 1.314 70.162 68.868 -0.034 0.000 0.955 781 T HN 0.484 nan 8.240 nan 0.000 0.452 782 I N 2.864 123.352 120.570 -0.137 0.000 2.499 782 I HA 0.524 4.570 4.170 -0.207 0.000 0.288 782 I C -0.052 175.957 176.117 -0.181 0.000 1.048 782 I CA -0.729 60.448 61.300 -0.204 0.000 1.062 782 I CB 1.994 39.769 38.000 -0.376 0.000 1.238 782 I HN 0.708 nan 8.210 nan 0.000 0.426 783 S N 4.667 120.272 115.700 -0.158 0.000 2.588 783 S HA 0.624 4.970 4.470 -0.207 0.000 0.275 783 S C -1.110 173.391 174.600 -0.165 0.000 1.130 783 S CA -0.815 57.298 58.200 -0.145 0.000 0.855 783 S CB 2.504 65.640 63.200 -0.107 0.000 1.116 783 S HN 0.676 nan 8.310 nan 0.000 0.472 784 Q N 0.896 120.581 119.800 -0.191 0.000 2.290 784 Q HA 0.648 4.864 4.340 -0.207 0.000 0.269 784 Q C -0.859 174.892 176.000 -0.416 0.000 1.016 784 Q CA -0.822 54.844 55.803 -0.228 0.000 0.754 784 Q CB 1.793 30.451 28.738 -0.132 0.000 1.247 784 Q HN 1.074 nan 8.270 nan 0.000 0.451 785 A N 3.400 126.035 122.820 -0.308 0.000 2.371 785 A HA 0.396 4.592 4.320 -0.207 0.000 0.257 785 A C -0.921 176.462 177.584 -0.334 0.000 1.089 785 A CA -0.209 51.654 52.037 -0.290 0.000 0.794 785 A CB 0.359 19.285 19.000 -0.123 0.000 1.029 785 A HN 0.812 nan 8.150 nan 0.000 0.488 786 H N 2.036 121.137 119.070 0.053 0.000 2.675 786 H HA 0.249 4.680 4.556 -0.207 0.000 0.258 786 H C 0.020 175.373 175.328 0.042 0.000 1.271 786 H CA -0.420 55.665 56.048 0.063 0.000 1.462 786 H CB 0.930 30.748 29.762 0.094 0.000 1.467 786 H HN 0.792 nan 8.280 nan 0.000 0.501 787 K N 0.551 121.021 120.400 0.116 0.000 2.400 787 K HA 0.054 4.250 4.320 -0.207 0.000 0.194 787 K C 0.241 176.877 176.600 0.060 0.000 1.033 787 K CA 0.418 56.745 56.287 0.067 0.000 1.021 787 K CB 0.648 33.169 32.500 0.035 0.000 0.808 787 K HN 0.318 nan 8.250 nan 0.000 0.505 788 Q N 0.350 120.191 119.800 0.069 0.000 2.394 788 Q HA 0.243 4.459 4.340 -0.207 0.000 0.273 788 Q C -1.047 174.971 176.000 0.031 0.000 1.089 788 Q CA -0.565 55.262 55.803 0.041 0.000 0.812 788 Q CB 1.537 30.294 28.738 0.031 0.000 1.353 788 Q HN 0.110 nan 8.270 nan 0.000 0.438 789 N N -0.170 118.537 118.700 0.010 0.000 2.492 789 N HA 0.311 4.927 4.740 -0.207 0.000 0.262 789 N C 0.725 176.222 175.510 -0.023 0.000 1.202 789 N CA 0.857 53.902 53.050 -0.009 0.000 0.926 789 N CB 0.364 38.841 38.487 -0.016 0.000 1.078 789 N HN 0.846 nan 8.380 nan 0.000 0.454 790 G N 0.793 109.564 108.800 -0.049 0.000 2.141 790 G HA2 -0.237 3.599 3.960 -0.207 0.000 0.242 790 G HA3 -0.237 3.599 3.960 -0.207 0.000 0.242 790 G C -0.212 174.653 174.900 -0.059 0.000 0.982 790 G CA -0.345 44.717 45.100 -0.065 0.000 0.662 790 G HN 0.571 nan 8.290 nan 0.000 0.527 791 D N 0.142 120.514 120.400 -0.047 0.000 2.363 791 D HA 0.617 5.133 4.640 -0.207 0.000 0.240 791 D C 0.438 176.676 176.300 -0.103 0.000 1.236 791 D CA 0.824 54.808 54.000 -0.027 0.000 0.927 791 D CB 1.232 42.057 40.800 0.041 0.000 1.150 791 D HN 0.151 nan 8.370 nan 0.000 0.458 792 S N -0.749 114.925 115.700 -0.043 0.000 2.541 792 S HA 0.559 4.905 4.470 -0.207 0.000 0.271 792 S C -1.651 173.019 174.600 0.116 0.000 1.133 792 S CA -0.761 57.398 58.200 -0.068 0.000 0.876 792 S CB 0.679 63.861 63.200 -0.029 0.000 1.105 792 S HN 0.371 nan 8.310 nan 0.000 0.470 793 Y N -0.586 119.799 120.300 0.142 0.000 2.576 793 Y HA 0.920 5.346 4.550 -0.207 0.000 0.346 793 Y C -0.249 175.799 175.900 0.247 0.000 1.018 793 Y CA -1.199 57.073 58.100 0.286 0.000 1.050 793 Y CB 1.329 40.055 38.460 0.443 0.000 1.280 793 Y HN 0.791 nan 8.280 nan 0.000 0.474 794 G N 1.941 111.102 108.800 0.602 0.000 2.635 794 G HA2 0.518 4.354 3.960 -0.207 0.000 0.295 794 G HA3 0.518 4.354 3.960 -0.207 0.000 0.295 794 G C -2.317 172.839 174.900 0.426 0.000 1.359 794 G CA -0.787 44.600 45.100 0.480 0.000 1.232 794 G HN 1.159 nan 8.290 nan 0.000 0.597 795 Y N -0.347 120.037 120.300 0.139 0.000 2.624 795 Y HA 0.833 5.259 4.550 -0.207 0.000 0.334 795 Y C -1.010 174.718 175.900 -0.287 0.000 1.155 795 Y CA -2.020 55.773 58.100 -0.511 0.000 1.046 795 Y CB 1.930 39.939 38.460 -0.751 0.000 1.316 795 Y HN 0.552 nan 8.280 nan 0.000 0.457 796 M N 3.511 122.904 119.600 -0.345 0.000 2.149 796 M HA 0.505 4.861 4.480 -0.207 0.000 0.342 796 M C -1.874 174.481 176.300 0.091 0.000 1.068 796 M CA -1.064 54.239 55.300 0.004 0.000 0.991 796 M CB 1.244 33.878 32.600 0.056 0.000 1.596 796 M HN 0.757 nan 8.290 nan 0.000 0.439 797 L N 7.385 128.686 121.223 0.129 0.000 2.278 797 L HA 0.576 4.792 4.340 -0.207 0.000 0.287 797 L C -1.432 175.385 176.870 -0.088 0.000 1.072 797 L CA 0.466 55.279 54.840 -0.045 0.000 0.819 797 L CB 0.065 42.124 42.059 0.000 0.000 1.176 797 L HN 0.721 nan 8.230 nan 0.000 0.435 798 I N 8.249 128.741 120.570 -0.129 0.000 2.437 798 I HA 0.400 4.446 4.170 -0.207 0.000 0.279 798 I C -2.296 173.709 176.117 -0.186 0.000 1.028 798 I CA -1.566 59.691 61.300 -0.072 0.000 1.142 798 I CB 1.357 39.460 38.000 0.171 0.000 1.266 798 I HN 0.509 nan 8.210 nan 0.000 0.461 799 P HA 0.409 nan 4.420 nan 0.000 0.283 799 P C -0.553 176.634 177.300 -0.187 0.000 1.271 799 P CA -0.495 62.387 63.100 -0.363 0.000 0.841 799 P CB 1.024 32.350 31.700 -0.625 0.000 1.122 800 N N -2.633 116.021 118.700 -0.077 0.000 2.818 800 N HA -0.103 4.513 4.740 -0.207 0.000 0.250 800 N C -0.221 175.337 175.510 0.079 0.000 1.108 800 N CA 1.282 54.355 53.050 0.038 0.000 0.745 800 N CB -2.129 36.430 38.487 0.119 0.000 1.104 800 N HN 0.411 nan 8.380 nan 0.000 0.557 801 V N -3.025 116.952 119.914 0.106 0.000 3.001 801 V HA 0.802 4.798 4.120 -0.207 0.000 0.314 801 V C 0.279 176.503 176.094 0.218 0.000 1.099 801 V CA -1.123 61.259 62.300 0.138 0.000 0.989 801 V CB 2.353 34.255 31.823 0.132 0.000 1.040 801 V HN 0.163 nan 8.190 nan 0.000 0.434 802 D N 2.092 122.574 120.400 0.138 0.000 2.398 802 D HA 0.178 4.694 4.640 -0.207 0.000 0.247 802 D C 1.031 177.289 176.300 -0.070 0.000 1.227 802 D CA -0.507 53.566 54.000 0.122 0.000 0.980 802 D CB 1.104 41.939 40.800 0.058 0.000 1.106 802 D HN 0.704 nan 8.370 nan 0.000 0.493 803 R N 0.039 120.375 120.500 -0.275 0.000 2.073 803 R HA -0.160 4.056 4.340 -0.207 0.000 0.234 803 R C 2.017 178.058 176.300 -0.432 0.000 1.134 803 R CA 1.633 57.259 56.100 -0.790 0.000 0.952 803 R CB -0.587 29.328 30.300 -0.642 0.000 0.850 803 R HN 0.576 nan 8.270 nan 0.000 0.433 804 A N -0.139 122.539 122.820 -0.237 0.000 1.933 804 A HA -0.124 4.072 4.320 -0.207 0.000 0.218 804 A C 2.159 179.657 177.584 -0.143 0.000 1.175 804 A CA 1.989 53.926 52.037 -0.166 0.000 0.628 804 A CB -0.768 18.166 19.000 -0.109 0.000 0.814 804 A HN 0.463 nan 8.150 nan 0.000 0.444 805 T N -0.904 113.585 114.554 -0.107 0.000 2.777 805 T HA -0.081 4.145 4.350 -0.207 0.000 0.266 805 T C 1.596 176.245 174.700 -0.085 0.000 1.040 805 T CA 1.373 63.428 62.100 -0.076 0.000 1.141 805 T CB -0.387 68.465 68.868 -0.026 0.000 0.868 805 T HN 0.479 nan 8.240 nan 0.000 0.444 806 F N 3.276 123.076 119.950 -0.249 0.000 2.091 806 F HA -0.199 4.204 4.527 -0.207 0.000 0.299 806 F C 2.026 177.657 175.800 -0.282 0.000 1.103 806 F CA 1.307 59.148 58.000 -0.266 0.000 1.228 806 F CB -0.531 38.207 39.000 -0.436 0.000 0.984 806 F HN 0.050 nan 8.300 nan 0.000 0.477 807 N N 0.403 118.903 118.700 -0.333 0.000 2.149 807 N HA -0.218 4.398 4.740 -0.207 0.000 0.188 807 N C 1.871 177.170 175.510 -0.352 0.000 1.019 807 N CA 1.518 54.346 53.050 -0.371 0.000 0.857 807 N CB -0.612 37.743 38.487 -0.221 0.000 0.997 807 N HN 0.492 nan 8.380 nan 0.000 0.426 808 Q N 0.113 119.753 119.800 -0.267 0.000 2.079 808 Q HA 0.102 4.318 4.340 -0.207 0.000 0.200 808 Q C 2.095 177.930 176.000 -0.275 0.000 0.974 808 Q CA 1.119 56.787 55.803 -0.224 0.000 0.840 808 Q CB 0.028 28.673 28.738 -0.155 0.000 0.898 808 Q HN 0.335 nan 8.270 nan 0.000 0.430 809 M N -0.004 119.408 119.600 -0.315 0.000 2.159 809 M HA -0.147 4.209 4.480 -0.207 0.000 0.263 809 M C 2.097 178.111 176.300 -0.477 0.000 1.063 809 M CA 1.313 56.421 55.300 -0.320 0.000 1.110 809 M CB -0.358 32.087 32.600 -0.259 0.000 1.374 809 M HN 0.396 nan 8.290 nan 0.000 0.411 810 I N -2.284 117.842 120.570 -0.739 0.000 2.546 810 I HA -0.167 3.878 4.170 -0.207 0.000 0.255 810 I C 1.908 177.544 176.117 -0.801 0.000 1.163 810 I CA 1.083 61.706 61.300 -1.127 0.000 1.457 810 I CB -0.487 36.588 38.000 -1.542 0.000 1.092 810 I HN 0.073 nan 8.210 nan 0.000 0.434 811 K N 1.807 121.925 120.400 -0.470 0.000 2.097 811 K HA -0.090 4.106 4.320 -0.207 0.000 0.205 811 K C 1.904 178.387 176.600 -0.195 0.000 1.050 811 K CA 1.462 57.590 56.287 -0.266 0.000 0.938 811 K CB -0.370 32.017 32.500 -0.189 0.000 0.718 811 K HN 0.564 nan 8.250 nan 0.000 0.442 812 E N 0.393 120.467 120.200 -0.209 0.000 2.160 812 E HA -0.136 4.090 4.350 -0.207 0.000 0.195 812 E C 0.994 177.525 176.600 -0.115 0.000 0.991 812 E CA 0.629 56.941 56.400 -0.147 0.000 0.810 812 E CB 0.054 29.663 29.700 -0.151 0.000 0.742 812 E HN -0.005 nan 8.360 nan 0.000 0.466 813 L N 0.750 121.884 121.223 -0.149 0.000 2.653 813 L HA 0.058 4.274 4.340 -0.207 0.000 0.231 813 L C 1.775 178.764 176.870 0.199 0.000 1.153 813 L CA 0.685 55.528 54.840 0.004 0.000 0.933 813 L CB -0.229 41.829 42.059 -0.002 0.000 1.175 813 L HN 0.058 nan 8.230 nan 0.000 0.473 814 E N -0.288 119.976 120.200 0.106 0.000 2.160 814 E HA -0.149 4.077 4.350 -0.207 0.000 0.195 814 E C 1.235 177.986 176.600 0.252 0.000 0.991 814 E CA 1.437 57.979 56.400 0.237 0.000 0.810 814 E CB 0.273 30.041 29.700 0.112 0.000 0.742 814 E HN 0.235 nan 8.360 nan 0.000 0.466 815 S N -0.636 115.160 115.700 0.160 0.000 2.601 815 S HA 0.059 4.405 4.470 -0.207 0.000 0.244 815 S C 1.179 175.833 174.600 0.090 0.000 1.001 815 S CA 0.217 58.487 58.200 0.116 0.000 0.984 815 S CB 0.635 63.889 63.200 0.089 0.000 0.842 815 S HN 0.389 nan 8.310 nan 0.000 0.474 816 S N 1.263 117.028 115.700 0.108 0.000 2.399 816 S HA 0.047 4.392 4.470 -0.207 0.000 0.231 816 S C 0.870 175.353 174.600 -0.196 0.000 1.022 816 S CA 0.253 58.464 58.200 0.018 0.000 0.983 816 S CB -0.377 62.889 63.200 0.110 0.000 0.803 816 S HN 0.467 nan 8.310 nan 0.000 0.480 817 L N 2.970 123.957 121.223 -0.393 0.000 2.385 817 L HA 0.220 4.436 4.340 -0.207 0.000 0.281 817 L C 0.720 177.438 176.870 -0.254 0.000 1.106 817 L CA 0.101 54.592 54.840 -0.582 0.000 0.856 817 L CB 0.006 41.631 42.059 -0.723 0.000 1.186 817 L HN 0.195 nan 8.230 nan 0.000 0.453 818 I N 3.348 123.795 120.570 -0.205 0.000 2.429 818 I HA 0.102 4.148 4.170 -0.207 0.000 0.247 818 I C 0.701 176.756 176.117 -0.102 0.000 1.099 818 I CA 0.725 61.969 61.300 -0.093 0.000 1.422 818 I CB -0.230 37.760 38.000 -0.017 0.000 1.112 818 I HN 0.636 nan 8.210 nan 0.000 0.430 819 E N 0.176 120.300 120.200 -0.127 0.000 2.375 819 E HA 0.338 4.563 4.350 -0.207 0.000 0.280 819 E C -0.789 175.747 176.600 -0.108 0.000 0.972 819 E CA -0.413 55.932 56.400 -0.092 0.000 0.782 819 E CB 1.668 31.337 29.700 -0.051 0.000 1.229 819 E HN 0.140 nan 8.360 nan 0.000 0.439 820 N N 3.321 121.973 118.700 -0.081 0.000 2.732 820 N HA 0.157 4.773 4.740 -0.207 0.000 0.235 820 N C -1.460 174.013 175.510 -0.061 0.000 1.466 820 N CA -0.231 52.773 53.050 -0.077 0.000 0.751 820 N CB -0.002 38.422 38.487 -0.106 0.000 1.317 820 N HN 0.532 nan 8.380 nan 0.000 0.525 821 N N -0.267 118.410 118.700 -0.038 0.000 3.091 821 N HA 0.257 4.873 4.740 -0.207 0.000 0.329 821 N C 0.667 176.157 175.510 -0.032 0.000 1.430 821 N CA -0.532 52.493 53.050 -0.042 0.000 0.755 821 N CB 0.248 38.716 38.487 -0.031 0.000 1.626 821 N HN 0.064 nan 8.380 nan 0.000 0.614 822 E N -1.676 118.496 120.200 -0.047 0.000 2.265 822 E HA -0.104 4.122 4.350 -0.207 0.000 0.196 822 E C 0.825 177.453 176.600 0.045 0.000 0.996 822 E CA 1.984 58.352 56.400 -0.054 0.000 0.832 822 E CB -0.575 29.083 29.700 -0.070 0.000 0.756 822 E HN 0.808 nan 8.360 nan 0.000 0.491 823 T N -2.872 111.715 114.554 0.055 0.000 2.958 823 T HA 0.321 4.547 4.350 -0.207 0.000 0.256 823 T C 0.049 174.848 174.700 0.165 0.000 0.983 823 T CA -0.428 61.740 62.100 0.114 0.000 0.924 823 T CB 0.252 69.169 68.868 0.082 0.000 1.136 823 T HN 0.079 nan 8.240 nan 0.000 0.506 824 L N 1.368 122.664 121.223 0.121 0.000 2.470 824 L HA 0.616 4.832 4.340 -0.207 0.000 0.268 824 L C -1.956 174.983 176.870 0.116 0.000 0.964 824 L CA -0.538 54.382 54.840 0.132 0.000 0.839 824 L CB 2.360 44.457 42.059 0.062 0.000 1.276 824 L HN 0.144 nan 8.230 nan 0.000 0.403 825 Q N 2.930 122.844 119.800 0.189 0.000 2.304 825 Q HA 0.767 4.983 4.340 -0.207 0.000 0.270 825 Q C -1.475 174.651 176.000 0.210 0.000 1.035 825 Q CA -0.596 55.312 55.803 0.174 0.000 0.781 825 Q CB 2.389 31.305 28.738 0.297 0.000 1.261 825 Q HN 0.653 nan 8.270 nan 0.000 0.444 826 S N 1.612 117.279 115.700 -0.056 0.000 2.535 826 S HA 0.698 5.044 4.470 -0.207 0.000 0.272 826 S C -1.651 172.718 174.600 -0.385 0.000 1.149 826 S CA -0.483 57.671 58.200 -0.077 0.000 0.888 826 S CB 1.589 64.850 63.200 0.101 0.000 1.110 826 S HN 0.303 nan 8.310 nan 0.000 0.463 827 V N 4.363 124.011 119.914 -0.442 0.000 2.735 827 V HA 0.597 4.592 4.120 -0.207 0.000 0.310 827 V C -1.421 174.685 176.094 0.020 0.000 1.061 827 V CA -0.717 61.364 62.300 -0.364 0.000 0.913 827 V CB 1.786 33.239 31.823 -0.616 0.000 1.005 827 V HN 0.871 nan 8.190 nan 0.000 0.428 828 Y N 2.924 123.127 120.300 -0.162 0.000 2.350 828 Y HA 0.605 5.030 4.550 -0.207 0.000 0.338 828 Y C -0.594 175.170 175.900 -0.226 0.000 0.961 828 Y CA -1.444 56.490 58.100 -0.276 0.000 1.100 828 Y CB 1.760 40.025 38.460 -0.325 0.000 1.179 828 Y HN 0.711 nan 8.280 nan 0.000 0.454 829 D N 4.972 124.967 120.400 -0.675 0.000 2.473 829 D HA 0.352 4.868 4.640 -0.207 0.000 0.226 829 D C 0.583 176.257 176.300 -1.044 0.000 1.089 829 D CA 0.216 53.842 54.000 -0.624 0.000 0.883 829 D CB 1.306 41.933 40.800 -0.289 0.000 1.029 829 D HN 0.786 nan 8.370 nan 0.000 0.517 830 A N 4.435 126.561 122.820 -1.157 0.000 1.972 830 A HA -0.171 4.025 4.320 -0.207 0.000 0.219 830 A C 2.012 179.351 177.584 -0.407 0.000 1.169 830 A CA 1.374 52.859 52.037 -0.919 0.000 0.635 830 A CB -0.214 18.517 19.000 -0.449 0.000 0.810 830 A HN 0.551 nan 8.150 nan 0.000 0.446 831 K N -0.558 119.659 120.400 -0.305 0.000 2.025 831 K HA -0.141 4.055 4.320 -0.207 0.000 0.207 831 K C 2.139 178.648 176.600 -0.152 0.000 1.049 831 K CA 1.645 57.827 56.287 -0.176 0.000 0.933 831 K CB -0.169 32.247 32.500 -0.139 0.000 0.714 831 K HN 0.589 nan 8.250 nan 0.000 0.438 832 Q N -1.055 118.635 119.800 -0.184 0.000 2.331 832 Q HA 0.055 4.270 4.340 -0.207 0.000 0.203 832 Q C 0.545 176.479 176.000 -0.110 0.000 0.944 832 Q CA 0.696 56.427 55.803 -0.121 0.000 0.892 832 Q CB 0.588 29.267 28.738 -0.099 0.000 0.983 832 Q HN 0.617 nan 8.270 nan 0.000 0.482 833 G N 0.979 109.657 108.800 -0.204 0.000 2.225 833 G HA2 -0.216 3.620 3.960 -0.207 0.000 0.264 833 G HA3 -0.216 3.620 3.960 -0.207 0.000 0.264 833 G C -0.307 174.548 174.900 -0.074 0.000 1.060 833 G CA 0.098 45.123 45.100 -0.125 0.000 0.833 833 G HN 0.181 nan 8.290 nan 0.000 0.498 834 V N 0.726 120.531 119.914 -0.182 0.000 2.540 834 V HA 0.708 4.704 4.120 -0.207 0.000 0.302 834 V C 0.053 176.202 176.094 0.092 0.000 1.035 834 V CA -1.068 61.276 62.300 0.072 0.000 0.873 834 V CB 1.687 33.551 31.823 0.069 0.000 0.992 834 V HN 0.331 nan 8.190 nan 0.000 0.428 835 W N 2.173 123.705 121.300 0.386 0.000 2.606 835 W HA 0.699 5.234 4.660 -0.207 0.000 0.332 835 W C 0.358 177.084 176.519 0.346 0.000 1.052 835 W CA -0.809 56.777 57.345 0.402 0.000 1.223 835 W CB 2.452 32.186 29.460 0.456 0.000 1.383 835 W HN 0.735 nan 8.180 nan 0.000 0.524 836 G N 2.570 111.732 108.800 0.604 0.000 2.379 836 G HA2 0.780 4.616 3.960 -0.207 0.000 0.327 836 G HA3 0.780 4.616 3.960 -0.207 0.000 0.327 836 G C -1.348 173.979 174.900 0.711 0.000 1.145 836 G CA -0.614 44.876 45.100 0.651 0.000 0.905 836 G HN 0.398 nan 8.290 nan 0.000 0.466 837 I N 1.089 122.012 120.570 0.588 0.000 2.656 837 I HA 0.344 4.390 4.170 -0.207 0.000 0.292 837 I C -0.785 175.619 176.117 0.479 0.000 1.144 837 I CA -1.062 60.535 61.300 0.495 0.000 1.038 837 I CB 2.715 40.868 38.000 0.255 0.000 1.244 837 I HN 0.144 nan 8.210 nan 0.000 0.420 838 V N 5.294 125.470 119.914 0.437 0.000 2.444 838 V HA 0.437 4.433 4.120 -0.207 0.000 0.294 838 V C -0.287 176.049 176.094 0.403 0.000 1.022 838 V CA -0.777 61.756 62.300 0.389 0.000 0.850 838 V CB 1.770 33.789 31.823 0.327 0.000 0.992 838 V HN 0.613 nan 8.190 nan 0.000 0.426 839 K N 3.436 124.088 120.400 0.419 0.000 2.307 839 K HA 0.453 4.649 4.320 -0.207 0.000 0.263 839 K C -0.648 176.119 176.600 0.278 0.000 0.973 839 K CA -0.598 55.897 56.287 0.347 0.000 0.846 839 K CB 1.778 34.468 32.500 0.317 0.000 1.100 839 K HN 0.603 nan 8.250 nan 0.000 0.438 840 Y N 0.984 121.319 120.300 0.059 0.000 2.466 840 Y HA -0.018 4.408 4.550 -0.207 0.000 0.272 840 Y C 0.331 176.135 175.900 -0.160 0.000 1.169 840 Y CA -0.013 57.984 58.100 -0.172 0.000 1.285 840 Y CB 0.339 38.663 38.460 -0.226 0.000 1.078 840 Y HN 0.668 nan 8.280 nan 0.000 0.523 841 D N -3.368 117.074 120.400 0.069 0.000 2.652 841 D HA 0.139 4.655 4.640 -0.207 0.000 0.285 841 D C -0.593 175.736 176.300 0.049 0.000 1.173 841 D CA -0.680 53.336 54.000 0.028 0.000 0.981 841 D CB 0.457 41.278 40.800 0.033 0.000 1.440 841 D HN -0.264 nan 8.370 nan 0.000 0.485 842 D N -0.321 120.097 120.400 0.029 0.000 2.395 842 D HA 0.121 4.637 4.640 -0.207 0.000 0.226 842 D C 0.191 176.501 176.300 0.017 0.000 1.146 842 D CA 0.019 54.038 54.000 0.032 0.000 0.830 842 D CB -0.103 40.708 40.800 0.018 0.000 0.958 842 D HN 0.422 nan 8.370 nan 0.000 0.501 843 S N -0.762 114.947 115.700 0.015 0.000 2.589 843 S HA 0.190 4.536 4.470 -0.207 0.000 0.265 843 S C 0.505 175.094 174.600 -0.017 0.000 1.342 843 S CA -0.751 57.447 58.200 -0.003 0.000 1.005 843 S CB 1.503 64.701 63.200 -0.004 0.000 0.909 843 S HN -0.098 nan 8.310 nan 0.000 0.555 844 V N 2.632 122.523 119.914 -0.038 0.000 2.470 844 V HA 0.262 4.257 4.120 -0.207 0.000 0.276 844 V C 0.201 176.247 176.094 -0.081 0.000 1.040 844 V CA -0.177 62.085 62.300 -0.064 0.000 1.008 844 V CB 0.450 32.229 31.823 -0.073 0.000 0.990 844 V HN 0.922 nan 8.190 nan 0.000 0.477 845 S N 3.556 119.192 115.700 -0.106 0.000 2.433 845 S HA 0.423 4.769 4.470 -0.207 0.000 0.310 845 S C 0.163 174.637 174.600 -0.211 0.000 1.097 845 S CA -0.526 57.594 58.200 -0.134 0.000 1.103 845 S CB 1.293 64.422 63.200 -0.118 0.000 0.992 845 S HN 0.785 nan 8.310 nan 0.000 0.469 846 T N 4.591 119.011 114.554 -0.223 0.000 2.767 846 T HA 0.425 4.651 4.350 -0.207 0.000 0.288 846 T C -0.189 174.276 174.700 -0.391 0.000 0.963 846 T CA -0.427 61.489 62.100 -0.308 0.000 1.019 846 T CB 0.173 68.901 68.868 -0.234 0.000 0.923 846 T HN 0.341 nan 8.240 nan 0.000 0.468 847 I N 2.638 122.808 120.570 -0.667 0.000 2.389 847 I HA 0.284 4.329 4.170 -0.207 0.000 0.288 847 I C 0.866 176.497 176.117 -0.811 0.000 0.999 847 I CA -0.660 60.158 61.300 -0.804 0.000 1.129 847 I CB 0.922 38.169 38.000 -1.255 0.000 1.288 847 I HN 0.776 nan 8.210 nan 0.000 0.444 848 S N 4.389 119.845 115.700 -0.408 0.000 3.533 848 S HA -0.282 4.064 4.470 -0.207 0.000 0.347 848 S C 0.779 175.256 174.600 -0.205 0.000 1.101 848 S CA 1.169 59.231 58.200 -0.229 0.000 1.009 848 S CB -1.590 61.561 63.200 -0.081 0.000 0.916 848 S HN 0.899 nan 8.310 nan 0.000 0.496 849 N N -0.504 118.052 118.700 -0.240 0.000 2.696 849 N HA -0.268 4.348 4.740 -0.207 0.000 0.249 849 N C 0.722 176.141 175.510 -0.153 0.000 1.090 849 N CA 1.396 54.341 53.050 -0.174 0.000 0.716 849 N CB -0.431 38.001 38.487 -0.093 0.000 1.020 849 N HN 0.762 nan 8.380 nan 0.000 0.548 850 Q N -1.696 117.942 119.800 -0.268 0.000 2.459 850 Q HA 0.233 4.449 4.340 -0.207 0.000 0.260 850 Q C -0.156 175.754 176.000 -0.151 0.000 0.828 850 Q CA 0.611 56.347 55.803 -0.111 0.000 0.987 850 Q CB 0.800 29.576 28.738 0.064 0.000 1.216 850 Q HN 0.444 nan 8.270 nan 0.000 0.558 851 F N -1.310 118.378 119.950 -0.437 0.000 2.745 851 F HA 0.577 4.980 4.527 -0.207 0.000 0.316 851 F C -1.604 173.857 175.800 -0.563 0.000 1.155 851 F CA -1.285 56.331 58.000 -0.639 0.000 0.937 851 F CB 1.155 39.541 39.000 -1.025 0.000 1.361 851 F HN -0.351 nan 8.300 nan 0.000 0.472 852 Q N 1.428 121.006 119.800 -0.369 0.000 2.365 852 Q HA 0.716 4.932 4.340 -0.207 0.000 0.269 852 Q C -1.269 174.589 176.000 -0.236 0.000 1.061 852 Q CA -1.401 54.219 55.803 -0.306 0.000 0.816 852 Q CB 3.262 31.841 28.738 -0.265 0.000 1.325 852 Q HN 0.720 nan 8.270 nan 0.000 0.446 853 V N 0.009 119.814 119.914 -0.182 0.000 2.628 853 V HA 0.503 4.499 4.120 -0.207 0.000 0.306 853 V C -0.076 175.952 176.094 -0.111 0.000 1.045 853 V CA -0.638 61.550 62.300 -0.186 0.000 0.905 853 V CB 1.263 32.754 31.823 -0.552 0.000 0.997 853 V HN 0.858 nan 8.190 nan 0.000 0.436 854 L N 1.185 122.412 121.223 0.008 0.000 2.781 854 L HA 0.474 4.690 4.340 -0.207 0.000 0.245 854 L C 0.707 177.613 176.870 0.060 0.000 1.118 854 L CA 0.155 55.002 54.840 0.011 0.000 0.918 854 L CB 0.260 42.309 42.059 -0.016 0.000 1.246 854 L HN 0.672 nan 8.230 nan 0.000 0.526 855 K N 0.923 121.422 120.400 0.166 0.000 2.426 855 K HA 0.387 4.583 4.320 -0.207 0.000 0.251 855 K C -0.634 176.158 176.600 0.320 0.000 0.941 855 K CA -0.901 55.486 56.287 0.166 0.000 0.808 855 K CB 2.826 35.348 32.500 0.038 0.000 1.265 855 K HN -0.106 nan 8.250 nan 0.000 0.432 856 R N 1.031 121.659 120.500 0.214 0.000 2.523 856 R HA 0.135 4.351 4.340 -0.207 0.000 0.281 856 R C 0.070 176.588 176.300 0.363 0.000 0.969 856 R CA 1.450 57.675 56.100 0.208 0.000 1.093 856 R CB -0.105 30.201 30.300 0.010 0.000 0.917 856 R HN 0.889 nan 8.270 nan 0.000 0.408 857 G N 1.470 110.533 108.800 0.439 0.000 2.320 857 G HA2 0.104 3.940 3.960 -0.207 0.000 0.274 857 G HA3 0.104 3.940 3.960 -0.207 0.000 0.274 857 G C -1.728 173.262 174.900 0.151 0.000 1.324 857 G CA -0.432 44.801 45.100 0.221 0.000 0.957 857 G HN 0.565 nan 8.290 nan 0.000 0.481 858 V N 0.498 120.286 119.914 -0.210 0.000 2.588 858 V HA 0.766 4.762 4.120 -0.207 0.000 0.304 858 V C -1.236 174.792 176.094 -0.111 0.000 1.042 858 V CA -0.681 61.590 62.300 -0.048 0.000 0.877 858 V CB 1.314 33.055 31.823 -0.136 0.000 0.996 858 V HN 0.714 nan 8.190 nan 0.000 0.425 859 Y N 1.139 121.528 120.300 0.148 0.000 2.512 859 Y HA 0.748 5.174 4.550 -0.207 0.000 0.348 859 Y C 0.262 176.274 175.900 0.188 0.000 0.990 859 Y CA -0.951 57.270 58.100 0.203 0.000 1.033 859 Y CB 2.639 41.262 38.460 0.272 0.000 1.259 859 Y HN 0.538 nan 8.280 nan 0.000 0.461 860 T N 4.170 118.916 114.554 0.319 0.000 2.937 860 T HA 0.678 4.904 4.350 -0.207 0.000 0.297 860 T C -0.816 174.034 174.700 0.249 0.000 0.991 860 T CA -0.442 61.827 62.100 0.282 0.000 0.990 860 T CB 0.695 69.671 68.868 0.179 0.000 0.991 860 T HN 0.398 nan 8.240 nan 0.000 0.440 861 I N 2.306 123.066 120.570 0.316 0.000 2.545 861 I HA 0.583 4.629 4.170 -0.207 0.000 0.292 861 I C -0.138 176.220 176.117 0.403 0.000 1.040 861 I CA -0.920 60.527 61.300 0.244 0.000 1.068 861 I CB 2.456 40.497 38.000 0.068 0.000 1.251 861 I HN 0.304 nan 8.210 nan 0.000 0.424 862 R N 5.036 125.712 120.500 0.294 0.000 2.534 862 R HA 0.427 4.643 4.340 -0.207 0.000 0.301 862 R C -1.015 175.464 176.300 0.298 0.000 0.961 862 R CA -0.817 55.469 56.100 0.311 0.000 0.871 862 R CB 1.679 32.071 30.300 0.154 0.000 1.170 862 R HN 0.519 nan 8.270 nan 0.000 0.446 863 K N 3.052 123.682 120.400 0.383 0.000 2.227 863 K HA 0.159 4.355 4.320 -0.207 0.000 0.280 863 K C -1.061 175.548 176.600 0.015 0.000 1.041 863 K CA -0.201 56.137 56.287 0.084 0.000 0.905 863 K CB 1.046 33.696 32.500 0.250 0.000 1.068 863 K HN 0.564 nan 8.250 nan 0.000 0.470 864 E N 3.241 123.392 120.200 -0.082 0.000 2.267 864 E HA 0.228 4.454 4.350 -0.207 0.000 0.248 864 E C 0.250 176.811 176.600 -0.065 0.000 0.899 864 E CA -0.302 56.073 56.400 -0.043 0.000 0.764 864 E CB 1.468 31.152 29.700 -0.026 0.000 1.227 864 E HN 0.969 nan 8.360 nan 0.000 0.421 865 G N 3.705 112.481 108.800 -0.040 0.000 2.634 865 G HA2 -0.395 3.441 3.960 -0.207 0.000 0.318 865 G HA3 -0.395 3.441 3.960 -0.207 0.000 0.318 865 G C 0.573 175.429 174.900 -0.073 0.000 1.207 865 G CA 0.567 45.646 45.100 -0.035 0.000 0.987 865 G HN 0.633 nan 8.290 nan 0.000 0.547 866 D N 1.434 121.793 120.400 -0.069 0.000 2.349 866 D HA 0.155 4.671 4.640 -0.207 0.000 0.214 866 D C 0.795 177.013 176.300 -0.136 0.000 1.063 866 D CA 0.199 54.154 54.000 -0.075 0.000 0.847 866 D CB 0.429 41.228 40.800 -0.002 0.000 0.933 866 D HN 0.326 nan 8.370 nan 0.000 0.513 867 E N 0.117 120.220 120.200 -0.161 0.000 2.250 867 E HA 0.259 4.485 4.350 -0.207 0.000 0.269 867 E C -1.108 175.301 176.600 -0.317 0.000 1.018 867 E CA -0.469 55.852 56.400 -0.132 0.000 0.873 867 E CB 1.351 31.028 29.700 -0.038 0.000 1.134 867 E HN -0.034 nan 8.360 nan 0.000 0.403 868 Y N 0.829 121.113 120.300 -0.028 0.000 2.376 868 Y HA 0.289 4.715 4.550 -0.207 0.000 0.340 868 Y C 0.427 176.201 175.900 -0.210 0.000 0.965 868 Y CA -0.701 57.315 58.100 -0.139 0.000 1.078 868 Y CB 1.471 39.740 38.460 -0.318 0.000 1.193 868 Y HN -0.014 nan 8.280 nan 0.000 0.452 869 K N 4.960 125.354 120.400 -0.010 0.000 2.211 869 K HA 0.555 4.751 4.320 -0.207 0.000 0.275 869 K C -1.009 175.537 176.600 -0.089 0.000 1.024 869 K CA -0.415 55.845 56.287 -0.045 0.000 0.887 869 K CB 1.698 34.201 32.500 0.004 0.000 1.084 869 K HN 0.640 nan 8.250 nan 0.000 0.463 870 I N 1.704 122.194 120.570 -0.133 0.000 2.436 870 I HA 0.316 4.362 4.170 -0.207 0.000 0.289 870 I C -0.454 175.658 176.117 -0.009 0.000 1.010 870 I CA -0.779 60.438 61.300 -0.138 0.000 1.098 870 I CB 2.031 39.859 38.000 -0.286 0.000 1.266 870 I HN 0.533 nan 8.210 nan 0.000 0.434 871 A N 6.280 129.135 122.820 0.058 0.000 2.323 871 A HA 0.551 4.746 4.320 -0.207 0.000 0.305 871 A C -1.450 176.190 177.584 0.092 0.000 1.275 871 A CA -0.369 51.707 52.037 0.065 0.000 0.804 871 A CB 0.432 19.458 19.000 0.043 0.000 1.152 871 A HN 0.639 nan 8.150 nan 0.000 0.487 872 Y N 2.507 122.765 120.300 -0.070 0.000 2.377 872 Y HA 0.656 5.082 4.550 -0.207 0.000 0.339 872 Y C -1.561 174.303 175.900 -0.060 0.000 1.011 872 Y CA -1.172 56.799 58.100 -0.216 0.000 1.093 872 Y CB 1.381 39.654 38.460 -0.311 0.000 1.201 872 Y HN 0.618 nan 8.280 nan 0.000 0.455 873 Y N 5.778 125.391 120.300 -1.145 0.000 2.386 873 Y HA 0.343 4.769 4.550 -0.207 0.000 0.334 873 Y C -1.255 173.999 175.900 -1.075 0.000 1.002 873 Y CA -1.529 56.041 58.100 -0.883 0.000 1.068 873 Y CB 1.405 39.599 38.460 -0.443 0.000 1.203 873 Y HN 0.783 nan 8.280 nan 0.000 0.443 874 N N 7.750 125.775 118.700 -1.125 0.000 2.469 874 N HA 0.284 4.900 4.740 -0.207 0.000 0.239 874 N C -2.099 172.813 175.510 -0.996 0.000 1.053 874 N CA -1.889 50.721 53.050 -0.734 0.000 0.937 874 N CB 1.229 39.556 38.487 -0.266 0.000 1.163 874 N HN 0.342 nan 8.380 nan 0.000 0.509 875 P HA -0.090 nan 4.420 nan 0.000 0.223 875 P C 0.159 177.272 177.300 -0.312 0.000 1.151 875 P CA 1.130 63.832 63.100 -0.662 0.000 0.787 875 P CB 0.331 31.732 31.700 -0.499 0.000 0.788 876 E N -0.831 119.267 120.200 -0.169 0.000 2.102 876 E HA -0.055 4.171 4.350 -0.207 0.000 0.190 876 E C 1.672 178.235 176.600 -0.061 0.000 0.971 876 E CA 1.581 57.957 56.400 -0.040 0.000 0.821 876 E CB -0.478 29.250 29.700 0.046 0.000 0.777 876 E HN 0.313 nan 8.360 nan 0.000 0.460 877 T N -1.643 112.852 114.554 -0.099 0.000 3.100 877 T HA 0.005 4.231 4.350 -0.207 0.000 0.253 877 T C 0.492 175.144 174.700 -0.080 0.000 1.118 877 T CA -0.139 61.922 62.100 -0.065 0.000 1.058 877 T CB 0.018 68.861 68.868 -0.042 0.000 0.953 877 T HN 0.057 nan 8.240 nan 0.000 0.515 878 Q N 0.849 120.535 119.800 -0.190 0.000 2.452 878 Q HA -0.162 4.054 4.340 -0.207 0.000 0.318 878 Q C -0.825 175.189 176.000 0.024 0.000 1.386 878 Q CA 0.705 56.450 55.803 -0.097 0.000 0.872 878 Q CB -1.732 27.053 28.738 0.079 0.000 1.151 878 Q HN 0.751 nan 8.270 nan 0.000 0.417 879 E N -0.575 119.555 120.200 -0.117 0.000 2.356 879 E HA 0.503 4.729 4.350 -0.207 0.000 0.275 879 E C -0.693 175.922 176.600 0.024 0.000 0.904 879 E CA -0.439 55.978 56.400 0.028 0.000 0.757 879 E CB 2.153 31.870 29.700 0.028 0.000 1.232 879 E HN 0.123 nan 8.360 nan 0.000 0.442 880 S N 0.448 116.233 115.700 0.142 0.000 2.549 880 S HA 0.781 5.127 4.470 -0.207 0.000 0.260 880 S C -0.664 174.095 174.600 0.266 0.000 1.217 880 S CA 0.179 58.500 58.200 0.201 0.000 1.001 880 S CB 0.718 64.020 63.200 0.170 0.000 1.059 880 S HN 0.567 nan 8.310 nan 0.000 0.537 881 A N 0.719 123.706 122.820 0.279 0.000 2.612 881 A HA 0.690 4.886 4.320 -0.207 0.000 0.293 881 A C -3.068 174.552 177.584 0.060 0.000 1.075 881 A CA -1.323 50.788 52.037 0.123 0.000 0.680 881 A CB 0.295 19.305 19.000 0.018 0.000 1.279 881 A HN 0.569 nan 8.150 nan 0.000 0.411 882 P HA 0.125 nan 4.420 nan 0.000 0.265 882 P C -0.028 177.277 177.300 0.007 0.000 1.187 882 P CA 0.103 63.215 63.100 0.021 0.000 0.766 882 P CB 0.534 32.244 31.700 0.016 0.000 0.820 883 D N 1.892 122.304 120.400 0.021 0.000 2.149 883 D HA -0.216 4.300 4.640 -0.207 0.000 0.194 883 D C 1.790 178.132 176.300 0.070 0.000 1.001 883 D CA 1.410 55.430 54.000 0.034 0.000 0.849 883 D CB -0.268 40.545 40.800 0.021 0.000 0.939 883 D HN 0.563 nan 8.370 nan 0.000 0.449 884 Q N 1.167 120.998 119.800 0.052 0.000 2.364 884 Q HA -0.129 4.086 4.340 -0.207 0.000 0.207 884 Q C 1.432 177.441 176.000 0.016 0.000 0.970 884 Q CA 1.048 56.880 55.803 0.049 0.000 0.888 884 Q CB -0.366 28.392 28.738 0.033 0.000 0.951 884 Q HN 0.380 nan 8.270 nan 0.000 0.469 885 E N 0.558 120.750 120.200 -0.013 0.000 2.208 885 E HA -0.075 4.151 4.350 -0.207 0.000 0.193 885 E C 1.788 178.343 176.600 -0.075 0.000 0.988 885 E CA 1.423 57.794 56.400 -0.048 0.000 0.828 885 E CB 0.427 30.085 29.700 -0.070 0.000 0.763 885 E HN 0.437 nan 8.360 nan 0.000 0.478 886 V N -2.993 116.882 119.914 -0.065 0.000 3.548 886 V HA 0.312 4.308 4.120 -0.207 0.000 0.279 886 V C -0.092 176.107 176.094 0.174 0.000 1.446 886 V CA -0.484 61.791 62.300 -0.041 0.000 1.023 886 V CB 0.194 31.790 31.823 -0.378 0.000 0.820 886 V HN 0.040 nan 8.190 nan 0.000 0.438 887 F N 1.377 121.308 119.950 -0.032 0.000 2.569 887 F HA 0.752 5.155 4.527 -0.207 0.000 0.312 887 F C -0.751 175.003 175.800 -0.077 0.000 1.109 887 F CA -0.779 57.185 58.000 -0.060 0.000 0.919 887 F CB 1.854 40.802 39.000 -0.088 0.000 1.211 887 F HN -0.096 nan 8.300 nan 0.000 0.446 888 K N 5.279 125.217 120.400 -0.770 0.000 2.578 888 K HA 0.292 4.488 4.320 -0.207 0.000 0.250 888 K C -1.198 174.903 176.600 -0.831 0.000 0.955 888 K CA -0.908 55.032 56.287 -0.579 0.000 0.825 888 K CB 1.202 33.535 32.500 -0.279 0.000 1.151 888 K HN 0.590 nan 8.250 nan 0.000 0.432 889 K N 1.860 121.884 120.400 -0.626 0.000 2.485 889 K HA 0.191 4.387 4.320 -0.207 0.000 0.277 889 K C 0.529 177.022 176.600 -0.177 0.000 0.990 889 K CA -0.072 56.021 56.287 -0.322 0.000 0.994 889 K CB -0.728 31.799 32.500 0.044 0.000 0.906 889 K HN 0.390 nan 8.250 nan 0.000 0.488 890 L N 0.000 121.148 121.223 -0.125 0.000 2.949 890 L HA 0.000 4.216 4.340 -0.207 0.000 0.249 890 L CA 0.000 54.790 54.840 -0.084 0.000 0.813 890 L CB 0.000 41.992 42.059 -0.112 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502