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 1pyd_1_B DATA FIRST_RESID 2 DATA SEQUENCE SEITLGKYLF ERLKQVNVNT VFGLPGDFNL SLLDKIYEVE GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARIKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSISXXXXXX XXHHTLGNGD FTVFHRMSAN ISETTAMITD IATAPAEIDR DATA SEQUENCE CIRTTYVTQR PVYLGLPANL VDLNVPAKLL QTPIDMSLKP NDAESEKEVI DATA SEQUENCE DTILALVKDA KNPVILADAC CSRHDVKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE ISEQHPRYGG VYVGTLSKPE VKEAVESADL ILSVGALLSD XXXXXXXXXX DATA SEQUENCE KTKNIVEFHS DHMKIRNATF PGVQMKFVLQ KLLTNIADAA KGYKPVAVPA DATA SEQUENCE RTPANAAVPA STPLKQEWMW NQLGNFLQEG DVVIAETGTS AFGINQTTFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIEKLIH GPKAQYNEIQ GWDHLSLLPT DATA SEQUENCE FGAKDYETHR VATTGEWDKL TQDKSFNDNS KIRMIEIMLP VFDAPQNLVK DATA SEQUENCE QAKLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.604 174.600 0.006 0.000 1.055 2 S CA 0.000 58.204 58.200 0.007 0.000 1.107 2 S CB 0.000 63.207 63.200 0.012 0.000 0.593 3 E N 1.191 121.394 120.200 0.006 0.000 2.256 3 E HA 0.731 5.061 4.350 -0.033 0.000 0.267 3 E C -1.054 175.554 176.600 0.014 0.000 0.892 3 E CA -0.797 55.604 56.400 0.002 0.000 0.775 3 E CB 2.765 32.461 29.700 -0.007 0.000 1.207 3 E HN 0.580 nan 8.360 nan 0.000 0.420 4 I N 0.915 121.497 120.570 0.019 0.000 2.785 4 I HA 0.323 4.473 4.170 -0.033 0.000 0.302 4 I C -0.271 175.863 176.117 0.028 0.000 1.069 4 I CA -0.538 60.787 61.300 0.042 0.000 1.045 4 I CB 2.000 40.050 38.000 0.083 0.000 1.236 4 I HN 0.642 nan 8.210 nan 0.000 0.429 5 T N 3.536 118.113 114.554 0.038 0.000 2.899 5 T HA 0.136 4.466 4.350 -0.033 0.000 0.295 5 T C 0.933 175.655 174.700 0.036 0.000 1.033 5 T CA -0.534 61.581 62.100 0.024 0.000 1.084 5 T CB 1.284 70.171 68.868 0.030 0.000 0.979 5 T HN 0.621 nan 8.240 nan 0.000 0.532 6 L N 2.434 123.657 121.223 -0.000 0.000 2.083 6 L HA 0.135 4.455 4.340 -0.033 0.000 0.209 6 L C 2.569 179.462 176.870 0.039 0.000 1.083 6 L CA 2.376 57.215 54.840 -0.001 0.000 0.752 6 L CB -1.242 40.788 42.059 -0.049 0.000 0.899 6 L HN 0.967 nan 8.230 nan 0.000 0.433 7 G N -0.637 108.173 108.800 0.017 0.000 2.469 7 G HA2 -0.394 3.547 3.960 -0.033 0.000 0.219 7 G HA3 -0.394 3.547 3.960 -0.033 0.000 0.219 7 G C 1.703 176.629 174.900 0.043 0.000 1.150 7 G CA 1.071 46.175 45.100 0.005 0.000 0.763 7 G HN 0.488 nan 8.290 nan 0.000 0.561 8 K N -0.987 119.480 120.400 0.111 0.000 2.228 8 K HA -0.017 4.283 4.320 -0.033 0.000 0.202 8 K C 2.108 178.781 176.600 0.123 0.000 1.051 8 K CA 0.498 56.878 56.287 0.155 0.000 0.960 8 K CB -0.346 32.230 32.500 0.126 0.000 0.743 8 K HN 0.306 nan 8.250 nan 0.000 0.458 9 Y N 1.372 121.657 120.300 -0.024 0.000 2.128 9 Y HA -0.278 4.251 4.550 -0.034 0.000 0.284 9 Y C 1.873 177.722 175.900 -0.085 0.000 1.154 9 Y CA 1.768 59.843 58.100 -0.041 0.000 1.149 9 Y CB -0.508 37.922 38.460 -0.050 0.000 0.976 9 Y HN 0.136 nan 8.280 nan 0.000 0.505 10 L N -0.308 120.839 121.223 -0.126 0.000 1.978 10 L HA -0.285 4.035 4.340 -0.033 0.000 0.218 10 L C 2.142 178.772 176.870 -0.400 0.000 1.075 10 L CA 2.182 56.812 54.840 -0.349 0.000 0.767 10 L CB -1.264 40.481 42.059 -0.524 0.000 0.890 10 L HN 0.234 nan 8.230 nan 0.000 0.434 11 F N 0.001 119.895 119.950 -0.093 0.000 2.171 11 F HA -0.151 4.357 4.527 -0.032 0.000 0.300 11 F C 2.551 178.278 175.800 -0.123 0.000 1.090 11 F CA 1.279 59.215 58.000 -0.106 0.000 1.293 11 F CB -0.805 38.133 39.000 -0.104 0.000 1.013 11 F HN 0.184 nan 8.300 nan 0.000 0.486 12 E N 0.054 120.252 120.200 -0.003 0.000 2.028 12 E HA -0.138 4.192 4.350 -0.033 0.000 0.191 12 E C 2.469 178.985 176.600 -0.140 0.000 0.988 12 E CA 0.702 57.062 56.400 -0.066 0.000 0.799 12 E CB -0.304 29.344 29.700 -0.086 0.000 0.755 12 E HN 0.218 nan 8.360 nan 0.000 0.447 13 R N 0.521 120.857 120.500 -0.273 0.000 2.091 13 R HA -0.098 4.222 4.340 -0.033 0.000 0.238 13 R C 2.340 178.552 176.300 -0.148 0.000 1.136 13 R CA 0.580 56.516 56.100 -0.275 0.000 0.959 13 R CB -0.839 29.191 30.300 -0.450 0.000 0.856 13 R HN 0.160 nan 8.270 nan 0.000 0.437 14 L N 1.230 122.391 121.223 -0.104 0.000 2.017 14 L HA -0.139 4.181 4.340 -0.033 0.000 0.208 14 L C 2.390 179.249 176.870 -0.019 0.000 1.073 14 L CA 1.684 56.504 54.840 -0.032 0.000 0.745 14 L CB -1.035 41.042 42.059 0.029 0.000 0.894 14 L HN 0.145 nan 8.230 nan 0.000 0.432 15 K N -0.533 119.858 120.400 -0.015 0.000 2.044 15 K HA -0.239 4.061 4.320 -0.033 0.000 0.210 15 K C 2.026 178.605 176.600 -0.036 0.000 1.049 15 K CA 1.726 58.001 56.287 -0.020 0.000 0.927 15 K CB -0.059 32.430 32.500 -0.019 0.000 0.713 15 K HN 0.407 nan 8.250 nan 0.000 0.443 16 Q N -0.088 119.678 119.800 -0.056 0.000 2.226 16 Q HA -0.106 4.214 4.340 -0.033 0.000 0.204 16 Q C 1.888 177.843 176.000 -0.075 0.000 0.975 16 Q CA 1.532 57.296 55.803 -0.065 0.000 0.866 16 Q CB 0.107 28.797 28.738 -0.081 0.000 0.915 16 Q HN 0.416 nan 8.270 nan 0.000 0.440 17 V N -2.738 117.129 119.914 -0.078 0.000 3.649 17 V HA 0.149 4.249 4.120 -0.033 0.000 0.275 17 V C 0.148 176.195 176.094 -0.078 0.000 1.281 17 V CA 0.068 62.303 62.300 -0.108 0.000 1.143 17 V CB -0.096 31.653 31.823 -0.123 0.000 0.892 17 V HN 0.351 nan 8.190 nan 0.000 0.441 18 N N -0.673 118.004 118.700 -0.038 0.000 2.882 18 N HA -0.134 4.586 4.740 -0.033 0.000 0.249 18 N C -0.039 175.511 175.510 0.066 0.000 1.079 18 N CA 0.963 54.011 53.050 -0.004 0.000 0.800 18 N CB -1.467 37.005 38.487 -0.026 0.000 1.124 18 N HN 0.500 nan 8.380 nan 0.000 0.557 19 V N 2.200 122.162 119.914 0.080 0.000 2.338 19 V HA 0.154 4.254 4.120 -0.033 0.000 0.255 19 V C 1.256 177.376 176.094 0.044 0.000 1.082 19 V CA -0.211 62.183 62.300 0.157 0.000 0.951 19 V CB 0.877 32.773 31.823 0.121 0.000 1.102 19 V HN 0.215 nan 8.190 nan 0.000 0.489 20 N N 2.482 121.215 118.700 0.056 0.000 2.282 20 N HA 0.031 4.751 4.740 -0.033 0.000 0.185 20 N C 0.784 176.112 175.510 -0.305 0.000 1.099 20 N CA 0.188 53.187 53.050 -0.086 0.000 0.878 20 N CB 1.193 39.653 38.487 -0.046 0.000 0.993 20 N HN 0.625 nan 8.380 nan 0.000 0.481 21 T N 0.372 114.597 114.554 -0.549 0.000 2.841 21 T HA 0.514 4.844 4.350 -0.033 0.000 0.283 21 T C -1.004 172.980 174.700 -1.193 0.000 1.000 21 T CA -0.507 60.976 62.100 -1.028 0.000 0.977 21 T CB 1.663 69.696 68.868 -1.393 0.000 0.979 21 T HN -0.251 nan 8.240 nan 0.000 0.446 22 V N 5.449 124.729 119.914 -1.058 0.000 2.448 22 V HA 0.584 4.684 4.120 -0.033 0.000 0.295 22 V C -0.635 174.822 176.094 -1.062 0.000 1.025 22 V CA -0.871 60.998 62.300 -0.718 0.000 0.859 22 V CB 1.041 32.795 31.823 -0.116 0.000 0.988 22 V HN 0.843 nan 8.190 nan 0.000 0.431 23 F N 2.294 122.047 119.950 -0.329 0.000 2.378 23 F HA 0.892 5.398 4.527 -0.034 0.000 0.325 23 F C 0.993 176.608 175.800 -0.308 0.000 1.097 23 F CA 0.519 58.287 58.000 -0.386 0.000 1.079 23 F CB 1.607 40.467 39.000 -0.233 0.000 1.240 23 F HN 0.838 nan 8.300 nan 0.000 0.519 24 G N 1.022 109.705 108.800 -0.196 0.000 2.347 24 G HA2 0.214 4.154 3.960 -0.033 0.000 0.341 24 G HA3 0.214 4.154 3.960 -0.033 0.000 0.341 24 G C -2.463 172.501 174.900 0.107 0.000 1.287 24 G CA -1.175 43.956 45.100 0.052 0.000 0.984 24 G HN 0.551 nan 8.290 nan 0.000 0.526 25 L N 0.991 122.415 121.223 0.334 0.000 2.370 25 L HA 0.599 4.919 4.340 -0.033 0.000 0.266 25 L C -2.092 175.011 176.870 0.389 0.000 1.002 25 L CA -1.589 53.469 54.840 0.364 0.000 0.818 25 L CB 2.232 44.399 42.059 0.180 0.000 1.325 25 L HN 0.422 nan 8.230 nan 0.000 0.418 26 P HA 0.453 nan 4.420 nan 0.000 0.274 26 P C -0.407 176.950 177.300 0.095 0.000 1.237 26 P CA -0.084 63.103 63.100 0.145 0.000 0.793 26 P CB 1.125 32.884 31.700 0.099 0.000 0.977 27 G N -0.058 108.765 108.800 0.039 0.000 2.495 27 G HA2 0.185 4.125 3.960 -0.033 0.000 0.294 27 G HA3 0.185 4.125 3.960 -0.033 0.000 0.294 27 G C -0.141 174.727 174.900 -0.054 0.000 1.397 27 G CA -0.476 44.626 45.100 0.002 0.000 0.790 27 G HN 0.262 nan 8.290 nan 0.000 0.486 28 D N -0.422 119.904 120.400 -0.122 0.000 2.192 28 D HA -0.131 4.489 4.640 -0.033 0.000 0.189 28 D C 1.707 177.648 176.300 -0.598 0.000 1.007 28 D CA 1.834 55.606 54.000 -0.380 0.000 0.859 28 D CB -0.141 40.401 40.800 -0.430 0.000 0.936 28 D HN 0.238 nan 8.370 nan 0.000 0.447 29 F N -0.133 119.872 119.950 0.092 0.000 2.660 29 F HA 0.157 4.666 4.527 -0.030 0.000 0.302 29 F C 1.288 177.104 175.800 0.027 0.000 1.103 29 F CA -0.112 57.922 58.000 0.057 0.000 1.340 29 F CB -0.165 38.879 39.000 0.073 0.000 1.048 29 F HN -0.010 nan 8.300 nan 0.000 0.551 30 N N -0.459 118.289 118.700 0.080 0.000 2.159 30 N HA 0.039 4.759 4.740 -0.033 0.000 0.217 30 N C 1.130 176.629 175.510 -0.019 0.000 1.223 30 N CA 0.152 53.229 53.050 0.046 0.000 0.896 30 N CB -0.762 37.762 38.487 0.061 0.000 1.064 30 N HN 0.263 nan 8.380 nan 0.000 0.518 31 L N 0.270 121.469 121.223 -0.039 0.000 2.043 31 L HA -0.102 4.218 4.340 -0.033 0.000 0.212 31 L C 1.771 178.612 176.870 -0.047 0.000 1.075 31 L CA 1.478 56.281 54.840 -0.063 0.000 0.752 31 L CB -0.626 41.398 42.059 -0.058 0.000 0.891 31 L HN 0.125 nan 8.230 nan 0.000 0.432 32 S N -0.276 115.412 115.700 -0.020 0.000 2.428 32 S HA -0.044 4.406 4.470 -0.033 0.000 0.230 32 S C 1.909 176.518 174.600 0.015 0.000 1.014 32 S CA 0.627 58.825 58.200 -0.003 0.000 0.957 32 S CB -0.070 63.133 63.200 0.005 0.000 0.784 32 S HN 0.295 nan 8.310 nan 0.000 0.499 33 L N 0.779 122.013 121.223 0.018 0.000 2.023 33 L HA -0.047 4.273 4.340 -0.033 0.000 0.205 33 L C 2.113 179.042 176.870 0.099 0.000 1.073 33 L CA 1.214 56.103 54.840 0.083 0.000 0.745 33 L CB -0.467 41.622 42.059 0.052 0.000 0.900 33 L HN 0.293 nan 8.230 nan 0.000 0.435 34 L N 0.376 121.550 121.223 -0.082 0.000 2.043 34 L HA -0.306 4.014 4.340 -0.033 0.000 0.212 34 L C 2.246 178.958 176.870 -0.264 0.000 1.075 34 L CA 1.837 56.472 54.840 -0.342 0.000 0.752 34 L CB -0.967 40.826 42.059 -0.443 0.000 0.891 34 L HN 0.321 nan 8.230 nan 0.000 0.432 35 D N -0.719 119.638 120.400 -0.071 0.000 2.218 35 D HA -0.163 4.458 4.640 -0.033 0.000 0.204 35 D C 1.995 178.298 176.300 0.006 0.000 0.976 35 D CA 0.752 54.778 54.000 0.043 0.000 0.853 35 D CB -0.074 40.752 40.800 0.045 0.000 0.939 35 D HN 0.340 nan 8.370 nan 0.000 0.481 36 K N 0.742 121.134 120.400 -0.014 0.000 2.211 36 K HA -0.005 4.295 4.320 -0.033 0.000 0.203 36 K C 2.320 178.809 176.600 -0.185 0.000 1.050 36 K CA 0.123 56.430 56.287 0.033 0.000 0.945 36 K CB -0.178 32.460 32.500 0.230 0.000 0.732 36 K HN 0.307 nan 8.250 nan 0.000 0.451 37 I N 0.526 120.684 120.570 -0.686 0.000 2.194 37 I HA -0.318 3.832 4.170 -0.033 0.000 0.246 37 I C 1.936 177.653 176.117 -0.667 0.000 1.093 37 I CA 1.669 62.300 61.300 -1.116 0.000 1.355 37 I CB -0.614 36.564 38.000 -1.371 0.000 1.046 37 I HN 0.066 nan 8.210 nan 0.000 0.413 38 Y N 0.829 120.990 120.300 -0.231 0.000 2.509 38 Y HA -0.109 4.422 4.550 -0.033 0.000 0.293 38 Y C 2.313 178.164 175.900 -0.082 0.000 1.133 38 Y CA 0.608 58.632 58.100 -0.126 0.000 1.283 38 Y CB -0.616 37.790 38.460 -0.091 0.000 1.001 38 Y HN 0.238 nan 8.280 nan 0.000 0.555 39 E N -0.172 120.042 120.200 0.024 0.000 2.371 39 E HA 0.025 4.355 4.350 -0.033 0.000 0.194 39 E C -0.180 176.426 176.600 0.010 0.000 1.012 39 E CA 0.209 56.628 56.400 0.031 0.000 0.860 39 E CB 0.287 30.009 29.700 0.037 0.000 0.811 39 E HN 0.076 nan 8.360 nan 0.000 0.502 40 V N 2.270 122.168 119.914 -0.027 0.000 2.383 40 V HA 0.099 4.199 4.120 -0.033 0.000 0.275 40 V C 0.119 176.189 176.094 -0.041 0.000 1.036 40 V CA -0.580 61.706 62.300 -0.025 0.000 0.889 40 V CB 1.317 33.134 31.823 -0.010 0.000 0.985 40 V HN 0.079 nan 8.190 nan 0.000 0.459 41 E N 3.247 123.438 120.200 -0.014 0.000 2.299 41 E HA 0.378 4.708 4.350 -0.033 0.000 0.272 41 E C 1.214 177.803 176.600 -0.018 0.000 1.043 41 E CA 0.953 57.349 56.400 -0.006 0.000 0.895 41 E CB 0.505 30.208 29.700 0.004 0.000 1.011 41 E HN 1.053 nan 8.360 nan 0.000 0.432 42 G N 4.128 112.916 108.800 -0.020 0.000 2.194 42 G HA2 -0.216 3.724 3.960 -0.033 0.000 0.236 42 G HA3 -0.216 3.724 3.960 -0.033 0.000 0.236 42 G C 0.283 175.139 174.900 -0.073 0.000 0.987 42 G CA -0.021 45.060 45.100 -0.030 0.000 0.635 42 G HN 0.446 nan 8.290 nan 0.000 0.520 43 M N 0.576 120.113 119.600 -0.105 0.000 2.274 43 M HA 0.623 5.083 4.480 -0.033 0.000 0.344 43 M C 0.765 176.929 176.300 -0.227 0.000 1.161 43 M CA -0.150 55.035 55.300 -0.190 0.000 1.126 43 M CB 1.178 33.647 32.600 -0.219 0.000 1.522 43 M HN 0.608 nan 8.290 nan 0.000 0.461 44 R N 0.928 121.235 120.500 -0.321 0.000 2.629 44 R HA 0.427 4.747 4.340 -0.033 0.000 0.266 44 R C -1.854 174.221 176.300 -0.374 0.000 1.051 44 R CA -0.917 55.006 56.100 -0.295 0.000 0.895 44 R CB 1.490 31.599 30.300 -0.317 0.000 1.246 44 R HN 0.846 nan 8.270 nan 0.000 0.459 45 W N 3.494 124.550 121.300 -0.406 0.000 2.283 45 W HA 0.418 5.057 4.660 -0.035 0.000 0.317 45 W C 0.006 176.446 176.519 -0.130 0.000 1.042 45 W CA -0.266 56.885 57.345 -0.323 0.000 1.348 45 W CB 1.718 31.060 29.460 -0.197 0.000 1.216 45 W HN 0.987 nan 8.180 nan 0.000 0.404 46 A N 4.570 126.872 122.820 -0.864 0.000 1.883 46 A HA 0.091 4.391 4.320 -0.033 0.000 0.217 46 A C 1.387 178.874 177.584 -0.162 0.000 1.186 46 A CA 1.621 53.355 52.037 -0.506 0.000 0.624 46 A CB -1.190 17.436 19.000 -0.624 0.000 0.822 46 A HN 1.462 nan 8.150 nan 0.000 0.444 47 G N -0.177 108.177 108.800 -0.743 0.000 2.689 47 G HA2 -0.170 3.770 3.960 -0.033 0.000 0.273 47 G HA3 -0.170 3.770 3.960 -0.033 0.000 0.273 47 G C -0.500 174.330 174.900 -0.117 0.000 1.062 47 G CA 0.120 45.024 45.100 -0.327 0.000 1.279 47 G HN 0.706 nan 8.290 nan 0.000 0.547 48 N N -0.053 118.554 118.700 -0.155 0.000 2.408 48 N HA 0.620 5.340 4.740 -0.033 0.000 0.260 48 N C 1.581 177.091 175.510 0.000 0.000 1.242 48 N CA 0.113 53.149 53.050 -0.023 0.000 0.959 48 N CB 0.758 39.243 38.487 -0.003 0.000 1.201 48 N HN 0.645 nan 8.380 nan 0.000 0.511 49 A N 0.199 123.016 122.820 -0.005 0.000 2.119 49 A HA 0.005 4.305 4.320 -0.033 0.000 0.216 49 A C 0.228 177.813 177.584 0.003 0.000 1.152 49 A CA 1.152 53.176 52.037 -0.021 0.000 0.708 49 A CB -0.860 18.094 19.000 -0.075 0.000 0.805 49 A HN 0.873 nan 8.150 nan 0.000 0.460 50 N N -3.230 115.477 118.700 0.011 0.000 3.348 50 N HA 0.223 4.943 4.740 -0.033 0.000 0.233 50 N C -0.527 174.985 175.510 0.003 0.000 1.440 50 N CA -0.221 52.838 53.050 0.015 0.000 0.887 50 N CB 0.146 38.645 38.487 0.020 0.000 1.410 50 N HN -0.162 nan 8.380 nan 0.000 0.502 51 E N 0.093 120.290 120.200 -0.005 0.000 2.152 51 E HA 0.146 4.476 4.350 -0.033 0.000 0.192 51 E C 1.301 177.843 176.600 -0.097 0.000 0.983 51 E CA 0.577 56.961 56.400 -0.027 0.000 0.818 51 E CB 0.007 29.706 29.700 -0.001 0.000 0.758 51 E HN 0.517 nan 8.360 nan 0.000 0.467 52 L N 0.830 121.978 121.223 -0.125 0.000 1.994 52 L HA -0.231 4.089 4.340 -0.033 0.000 0.208 52 L C 1.712 178.354 176.870 -0.382 0.000 1.071 52 L CA 1.287 55.953 54.840 -0.289 0.000 0.745 52 L CB -0.261 41.652 42.059 -0.244 0.000 0.892 52 L HN 0.189 nan 8.230 nan 0.000 0.431 53 N N 0.474 119.101 118.700 -0.121 0.000 2.021 53 N HA -0.236 4.484 4.740 -0.033 0.000 0.198 53 N C 1.727 177.241 175.510 0.006 0.000 1.041 53 N CA 1.942 55.019 53.050 0.045 0.000 0.862 53 N CB -0.591 37.935 38.487 0.065 0.000 1.048 53 N HN 0.433 nan 8.380 nan 0.000 0.427 54 A N 0.453 123.252 122.820 -0.034 0.000 1.978 54 A HA 0.010 4.310 4.320 -0.033 0.000 0.220 54 A C 2.313 179.826 177.584 -0.117 0.000 1.170 54 A CA 2.011 54.023 52.037 -0.042 0.000 0.636 54 A CB -0.803 18.200 19.000 0.004 0.000 0.810 54 A HN 0.376 nan 8.150 nan 0.000 0.448 55 A N -0.982 121.755 122.820 -0.137 0.000 1.855 55 A HA -0.032 4.268 4.320 -0.033 0.000 0.215 55 A C 2.058 179.635 177.584 -0.011 0.000 1.191 55 A CA 1.529 53.484 52.037 -0.137 0.000 0.613 55 A CB -0.865 18.010 19.000 -0.208 0.000 0.829 55 A HN 0.498 nan 8.150 nan 0.000 0.442 56 Y N 0.079 120.366 120.300 -0.021 0.000 2.081 56 Y HA -0.229 4.301 4.550 -0.033 0.000 0.280 56 Y C 3.056 178.839 175.900 -0.195 0.000 1.163 56 Y CA 0.591 58.691 58.100 0.000 0.000 1.135 56 Y CB -1.349 37.106 38.460 -0.009 0.000 0.970 56 Y HN 0.345 nan 8.280 nan 0.000 0.498 57 A N 0.067 122.821 122.820 -0.110 0.000 1.865 57 A HA -0.177 4.123 4.320 -0.033 0.000 0.217 57 A C 2.565 179.706 177.584 -0.738 0.000 1.191 57 A CA 2.525 54.306 52.037 -0.427 0.000 0.623 57 A CB -1.400 17.261 19.000 -0.565 0.000 0.826 57 A HN 0.421 nan 8.150 nan 0.000 0.444 58 A N -0.181 122.173 122.820 -0.777 0.000 1.948 58 A HA -0.273 4.027 4.320 -0.033 0.000 0.220 58 A C 1.949 179.459 177.584 -0.123 0.000 1.177 58 A CA 2.240 53.971 52.037 -0.510 0.000 0.636 58 A CB -0.686 18.238 19.000 -0.126 0.000 0.815 58 A HN 0.636 nan 8.150 nan 0.000 0.449 59 D N -0.322 120.063 120.400 -0.026 0.000 2.084 59 D HA -0.099 4.521 4.640 -0.033 0.000 0.194 59 D C 2.117 178.477 176.300 0.099 0.000 0.990 59 D CA 1.819 55.890 54.000 0.119 0.000 0.826 59 D CB -0.752 40.220 40.800 0.286 0.000 0.971 59 D HN 0.294 nan 8.370 nan 0.000 0.453 60 G N -0.508 108.296 108.800 0.006 0.000 2.513 60 G HA2 -0.352 3.588 3.960 -0.033 0.000 0.219 60 G HA3 -0.352 3.588 3.960 -0.033 0.000 0.219 60 G C 1.721 176.620 174.900 -0.002 0.000 1.160 60 G CA 1.244 46.319 45.100 -0.042 0.000 0.767 60 G HN 0.437 nan 8.290 nan 0.000 0.571 61 Y N 1.903 122.135 120.300 -0.113 0.000 2.114 61 Y HA -0.011 4.518 4.550 -0.034 0.000 0.284 61 Y C 3.033 178.931 175.900 -0.003 0.000 1.143 61 Y CA 1.794 59.886 58.100 -0.014 0.000 1.135 61 Y CB -0.500 38.018 38.460 0.097 0.000 0.980 61 Y HN 0.269 nan 8.280 nan 0.000 0.499 62 A N 0.808 123.715 122.820 0.145 0.000 1.892 62 A HA -0.284 4.016 4.320 -0.033 0.000 0.218 62 A C 2.284 179.857 177.584 -0.019 0.000 1.188 62 A CA 2.210 54.297 52.037 0.083 0.000 0.631 62 A CB -0.812 18.257 19.000 0.115 0.000 0.822 62 A HN 0.580 nan 8.150 nan 0.000 0.447 63 R N -0.794 119.693 120.500 -0.021 0.000 2.096 63 R HA -0.170 4.150 4.340 -0.033 0.000 0.240 63 R C 1.986 178.122 176.300 -0.273 0.000 1.139 63 R CA 1.730 57.804 56.100 -0.044 0.000 0.952 63 R CB -0.489 29.832 30.300 0.034 0.000 0.854 63 R HN 0.524 nan 8.270 nan 0.000 0.436 64 I N 0.663 120.998 120.570 -0.393 0.000 2.188 64 I HA -0.155 3.995 4.170 -0.033 0.000 0.237 64 I C 2.086 178.002 176.117 -0.335 0.000 1.073 64 I CA 1.279 62.273 61.300 -0.511 0.000 1.359 64 I CB -1.021 36.718 38.000 -0.436 0.000 1.083 64 I HN -0.011 nan 8.210 nan 0.000 0.412 65 K N 0.283 120.473 120.400 -0.350 0.000 2.155 65 K HA 0.063 4.363 4.320 -0.033 0.000 0.203 65 K C 1.604 178.153 176.600 -0.085 0.000 1.052 65 K CA 1.185 57.304 56.287 -0.279 0.000 0.948 65 K CB -0.130 32.090 32.500 -0.466 0.000 0.728 65 K HN 0.560 nan 8.250 nan 0.000 0.448 66 G N 0.386 109.186 108.800 0.001 0.000 2.905 66 G HA2 -0.164 3.776 3.960 -0.033 0.000 0.196 66 G HA3 -0.164 3.776 3.960 -0.033 0.000 0.196 66 G C 0.230 175.268 174.900 0.230 0.000 1.044 66 G CA 0.184 45.388 45.100 0.173 0.000 0.778 66 G HN 0.347 nan 8.290 nan 0.000 0.474 67 M N -0.862 118.858 119.600 0.200 0.000 3.084 67 M HA 0.777 5.237 4.480 -0.033 0.000 0.273 67 M C -0.596 175.875 176.300 0.286 0.000 1.242 67 M CA -0.011 55.426 55.300 0.228 0.000 0.819 67 M CB 1.690 34.461 32.600 0.284 0.000 1.625 67 M HN 1.262 nan 8.290 nan 0.000 0.493 68 S N -0.156 115.711 115.700 0.278 0.000 2.727 68 S HA 0.828 5.278 4.470 -0.033 0.000 0.278 68 S C -1.715 173.011 174.600 0.210 0.000 1.186 68 S CA -0.558 57.845 58.200 0.339 0.000 0.836 68 S CB 1.616 65.057 63.200 0.402 0.000 1.186 68 S HN 1.473 nan 8.310 nan 0.000 0.499 69 C N 1.490 120.908 119.300 0.196 0.000 2.701 69 C HA 0.780 5.220 4.460 -0.033 0.000 0.336 69 C C -1.152 173.962 174.990 0.206 0.000 1.123 69 C CA -0.491 58.624 59.018 0.161 0.000 1.326 69 C CB 0.052 27.857 27.740 0.108 0.000 1.833 69 C HN 0.965 nan 8.230 nan 0.000 0.473 70 I N 6.858 127.546 120.570 0.197 0.000 2.465 70 I HA 0.609 4.759 4.170 -0.033 0.000 0.291 70 I C -1.179 175.103 176.117 0.274 0.000 1.014 70 I CA -0.844 60.581 61.300 0.208 0.000 1.093 70 I CB 1.399 39.449 38.000 0.083 0.000 1.267 70 I HN 0.671 nan 8.210 nan 0.000 0.431 71 I N 7.321 128.080 120.570 0.314 0.000 2.362 71 I HA 0.339 4.489 4.170 -0.033 0.000 0.289 71 I C 0.128 176.446 176.117 0.336 0.000 0.994 71 I CA -0.173 61.325 61.300 0.330 0.000 1.158 71 I CB 1.910 40.128 38.000 0.363 0.000 1.315 71 I HN 0.634 nan 8.210 nan 0.000 0.451 72 T N 0.869 115.593 114.554 0.283 0.000 2.742 72 T HA 0.490 4.820 4.350 -0.033 0.000 0.282 72 T C -0.390 174.414 174.700 0.174 0.000 1.025 72 T CA -0.716 61.535 62.100 0.251 0.000 1.020 72 T CB 2.192 71.251 68.868 0.318 0.000 1.317 72 T HN 0.381 nan 8.240 nan 0.000 0.538 73 T N 0.310 114.959 114.554 0.157 0.000 2.885 73 T HA 0.545 4.875 4.350 -0.033 0.000 0.285 73 T C -0.866 173.950 174.700 0.195 0.000 1.019 73 T CA -0.716 61.496 62.100 0.186 0.000 1.010 73 T CB 0.419 69.374 68.868 0.144 0.000 1.022 73 T HN 0.554 nan 8.240 nan 0.000 0.466 74 F N 3.979 124.013 119.950 0.140 0.000 2.623 74 F HA 0.302 4.808 4.527 -0.036 0.000 0.381 74 F C 1.439 177.230 175.800 -0.015 0.000 1.081 74 F CA 2.052 60.124 58.000 0.120 0.000 1.293 74 F CB -0.270 38.835 39.000 0.175 0.000 1.006 74 F HN 0.962 nan 8.300 nan 0.000 0.578 75 G N 3.957 112.258 108.800 -0.832 0.000 3.879 75 G HA2 -0.381 3.559 3.960 -0.033 0.000 0.318 75 G HA3 -0.381 3.559 3.960 -0.033 0.000 0.318 75 G C 1.075 175.597 174.900 -0.631 0.000 1.344 75 G CA 1.363 45.738 45.100 -1.208 0.000 1.024 75 G HN 1.624 nan 8.290 nan 0.000 0.681 76 V N -0.101 119.609 119.914 -0.339 0.000 2.453 76 V HA 0.156 4.256 4.120 -0.033 0.000 0.252 76 V C 2.702 178.722 176.094 -0.122 0.000 1.068 76 V CA 2.955 65.140 62.300 -0.191 0.000 1.070 76 V CB -1.479 30.260 31.823 -0.139 0.000 0.664 76 V HN 1.695 nan 8.190 nan 0.000 0.461 77 G N 1.144 109.893 108.800 -0.086 0.000 2.447 77 G HA2 -0.096 3.844 3.960 -0.033 0.000 0.211 77 G HA3 -0.096 3.844 3.960 -0.033 0.000 0.211 77 G C 1.455 176.379 174.900 0.041 0.000 1.184 77 G CA 0.699 45.804 45.100 0.009 0.000 0.813 77 G HN 0.736 nan 8.290 nan 0.000 0.540 78 E N 0.561 120.783 120.200 0.035 0.000 2.051 78 E HA -0.053 4.277 4.350 -0.033 0.000 0.192 78 E C 2.422 179.058 176.600 0.059 0.000 0.991 78 E CA 0.680 57.166 56.400 0.143 0.000 0.799 78 E CB -0.569 29.223 29.700 0.153 0.000 0.748 78 E HN 0.364 nan 8.360 nan 0.000 0.449 79 L N 1.385 122.540 121.223 -0.114 0.000 2.079 79 L HA -0.151 4.169 4.340 -0.033 0.000 0.210 79 L C 2.541 179.391 176.870 -0.034 0.000 1.081 79 L CA 1.324 56.109 54.840 -0.092 0.000 0.752 79 L CB -0.369 41.565 42.059 -0.208 0.000 0.896 79 L HN 0.178 nan 8.230 nan 0.000 0.433 80 S N -0.330 115.345 115.700 -0.041 0.000 2.447 80 S HA -0.072 4.378 4.470 -0.033 0.000 0.233 80 S C 1.946 176.518 174.600 -0.048 0.000 1.006 80 S CA 0.985 59.166 58.200 -0.032 0.000 0.957 80 S CB -0.058 63.125 63.200 -0.029 0.000 0.773 80 S HN 0.505 nan 8.310 nan 0.000 0.507 81 A N 1.098 123.893 122.820 -0.041 0.000 2.081 81 A HA 0.277 4.577 4.320 -0.033 0.000 0.214 81 A C 1.856 179.386 177.584 -0.088 0.000 1.158 81 A CA 0.154 52.125 52.037 -0.110 0.000 0.724 81 A CB -0.411 18.469 19.000 -0.199 0.000 0.826 81 A HN 0.421 nan 8.150 nan 0.000 0.463 82 L N 0.341 121.558 121.223 -0.010 0.000 2.089 82 L HA -0.284 4.036 4.340 -0.033 0.000 0.213 82 L C 2.522 179.403 176.870 0.019 0.000 1.079 82 L CA 1.922 56.773 54.840 0.020 0.000 0.758 82 L CB -0.840 41.251 42.059 0.053 0.000 0.891 82 L HN 0.650 nan 8.230 nan 0.000 0.433 83 N N 0.384 119.108 118.700 0.040 0.000 2.188 83 N HA -0.137 4.583 4.740 -0.033 0.000 0.184 83 N C 1.830 177.413 175.510 0.122 0.000 1.018 83 N CA 1.235 54.385 53.050 0.166 0.000 0.858 83 N CB 0.071 38.691 38.487 0.222 0.000 0.989 83 N HN 0.327 nan 8.380 nan 0.000 0.426 84 G N 2.129 110.893 108.800 -0.061 0.000 2.484 84 G HA2 -0.159 3.781 3.960 -0.033 0.000 0.215 84 G HA3 -0.159 3.781 3.960 -0.033 0.000 0.215 84 G C 1.584 176.458 174.900 -0.043 0.000 1.219 84 G CA 0.520 45.578 45.100 -0.069 0.000 0.791 84 G HN 0.219 nan 8.290 nan 0.000 0.550 85 I N 2.109 122.631 120.570 -0.080 0.000 2.208 85 I HA -0.198 3.952 4.170 -0.033 0.000 0.245 85 I C 3.291 179.330 176.117 -0.130 0.000 1.097 85 I CA 1.359 62.622 61.300 -0.062 0.000 1.363 85 I CB -1.389 36.607 38.000 -0.007 0.000 1.051 85 I HN 0.271 nan 8.210 nan 0.000 0.413 86 A N 1.068 123.748 122.820 -0.232 0.000 1.940 86 A HA -0.117 4.183 4.320 -0.033 0.000 0.219 86 A C 2.533 179.565 177.584 -0.919 0.000 1.176 86 A CA 1.898 53.649 52.037 -0.476 0.000 0.631 86 A CB -1.304 17.408 19.000 -0.481 0.000 0.814 86 A HN 0.442 nan 8.150 nan 0.000 0.446 87 G N -0.686 107.474 108.800 -1.067 0.000 2.421 87 G HA2 -0.160 3.780 3.960 -0.033 0.000 0.216 87 G HA3 -0.160 3.780 3.960 -0.033 0.000 0.216 87 G C 1.818 176.454 174.900 -0.441 0.000 1.171 87 G CA 1.312 45.752 45.100 -1.100 0.000 0.775 87 G HN 0.507 nan 8.290 nan 0.000 0.543 88 S N -0.377 115.197 115.700 -0.210 0.000 2.383 88 S HA -0.106 4.344 4.470 -0.033 0.000 0.227 88 S C 1.945 176.500 174.600 -0.075 0.000 1.026 88 S CA 1.060 59.219 58.200 -0.068 0.000 0.981 88 S CB -0.399 62.807 63.200 0.010 0.000 0.818 88 S HN 0.495 nan 8.310 nan 0.000 0.472 89 Y N 2.429 122.600 120.300 -0.215 0.000 2.114 89 Y HA -0.127 4.407 4.550 -0.028 0.000 0.284 89 Y C 2.512 178.311 175.900 -0.168 0.000 1.143 89 Y CA 1.085 59.070 58.100 -0.192 0.000 1.135 89 Y CB -0.842 37.497 38.460 -0.202 0.000 0.980 89 Y HN 0.213 nan 8.280 nan 0.000 0.499 90 A N 0.166 122.897 122.820 -0.148 0.000 1.908 90 A HA -0.204 4.096 4.320 -0.033 0.000 0.218 90 A C 1.848 179.469 177.584 0.062 0.000 1.181 90 A CA 2.050 54.063 52.037 -0.041 0.000 0.627 90 A CB -0.597 18.415 19.000 0.020 0.000 0.818 90 A HN 0.651 nan 8.150 nan 0.000 0.445 91 E N -1.395 118.829 120.200 0.042 0.000 2.444 91 E HA 0.145 4.475 4.350 -0.033 0.000 0.191 91 E C -0.838 175.904 176.600 0.237 0.000 1.041 91 E CA -0.168 56.312 56.400 0.134 0.000 0.883 91 E CB 0.072 29.797 29.700 0.041 0.000 1.024 91 E HN 0.697 nan 8.360 nan 0.000 0.470 92 H N -1.033 117.973 119.070 -0.106 0.000 2.827 92 H HA -0.120 4.417 4.556 -0.031 0.000 0.330 92 H C -1.118 174.156 175.328 -0.089 0.000 1.236 92 H CA 0.191 56.184 56.048 -0.091 0.000 1.165 92 H CB -2.161 27.599 29.762 -0.003 0.000 1.532 92 H HN -0.066 nan 8.280 nan 0.000 0.434 93 V N -0.328 119.593 119.914 0.011 0.000 2.448 93 V HA 0.522 4.622 4.120 -0.033 0.000 0.295 93 V C 1.338 177.444 176.094 0.020 0.000 1.025 93 V CA -0.309 62.005 62.300 0.023 0.000 0.859 93 V CB 2.234 34.094 31.823 0.062 0.000 0.988 93 V HN 0.710 nan 8.190 nan 0.000 0.431 94 G N 4.146 112.957 108.800 0.019 0.000 2.734 94 G HA2 0.371 4.311 3.960 -0.033 0.000 0.287 94 G HA3 0.371 4.311 3.960 -0.033 0.000 0.287 94 G C -0.280 174.681 174.900 0.101 0.000 0.728 94 G CA 0.053 45.184 45.100 0.051 0.000 1.999 94 G HN 0.537 nan 8.290 nan 0.000 0.535 95 V N 3.890 123.863 119.914 0.099 0.000 2.384 95 V HA 0.298 4.398 4.120 -0.033 0.000 0.287 95 V C -0.111 176.063 176.094 0.133 0.000 1.020 95 V CA -1.012 61.357 62.300 0.116 0.000 0.850 95 V CB 1.570 33.446 31.823 0.088 0.000 0.987 95 V HN 0.520 nan 8.190 nan 0.000 0.436 96 L N 5.210 126.517 121.223 0.140 0.000 2.261 96 L HA 0.439 4.759 4.340 -0.033 0.000 0.289 96 L C -0.079 176.895 176.870 0.173 0.000 1.059 96 L CA 0.199 55.121 54.840 0.138 0.000 0.816 96 L CB 0.401 42.522 42.059 0.102 0.000 1.191 96 L HN 0.750 nan 8.230 nan 0.000 0.431 97 H N 4.617 123.720 119.070 0.055 0.000 2.594 97 H HA 0.452 4.988 4.556 -0.034 0.000 0.304 97 H C -1.182 174.098 175.328 -0.080 0.000 1.068 97 H CA -0.932 55.131 56.048 0.025 0.000 1.308 97 H CB 1.116 30.919 29.762 0.067 0.000 1.409 97 H HN 0.479 nan 8.280 nan 0.000 0.460 98 V N 7.128 127.068 119.914 0.043 0.000 2.383 98 V HA 0.160 4.260 4.120 -0.033 0.000 0.275 98 V C -0.285 175.681 176.094 -0.213 0.000 1.036 98 V CA -0.520 61.700 62.300 -0.135 0.000 0.889 98 V CB 1.310 33.104 31.823 -0.049 0.000 0.985 98 V HN 0.500 nan 8.190 nan 0.000 0.459 99 V N 3.851 123.519 119.914 -0.410 0.000 2.555 99 V HA 0.701 4.801 4.120 -0.033 0.000 0.302 99 V C 0.601 176.625 176.094 -0.118 0.000 1.038 99 V CA -0.583 61.545 62.300 -0.287 0.000 0.887 99 V CB 1.941 33.490 31.823 -0.457 0.000 0.991 99 V HN 0.893 nan 8.190 nan 0.000 0.434 100 G N 2.843 111.658 108.800 0.024 0.000 2.329 100 G HA2 0.594 4.534 3.960 -0.033 0.000 0.309 100 G HA3 0.594 4.534 3.960 -0.033 0.000 0.309 100 G C -0.495 174.492 174.900 0.145 0.000 1.110 100 G CA -0.318 44.826 45.100 0.073 0.000 0.923 100 G HN 0.984 nan 8.290 nan 0.000 0.430 101 V N 0.706 120.625 119.914 0.008 0.000 2.815 101 V HA 0.817 4.917 4.120 -0.033 0.000 0.314 101 V C -2.386 173.445 176.094 -0.439 0.000 1.064 101 V CA -2.941 59.214 62.300 -0.242 0.000 0.952 101 V CB 2.319 34.044 31.823 -0.164 0.000 1.020 101 V HN 0.564 nan 8.190 nan 0.000 0.439 102 P HA 0.021 nan 4.420 nan 0.000 0.266 102 P C 0.293 177.343 177.300 -0.416 0.000 1.186 102 P CA 0.459 63.014 63.100 -0.907 0.000 0.767 102 P CB 0.274 31.220 31.700 -1.257 0.000 0.820 103 S N 1.703 117.287 115.700 -0.193 0.000 2.549 103 S HA -0.005 4.445 4.470 -0.033 0.000 0.278 103 S C 0.959 175.430 174.600 -0.215 0.000 1.344 103 S CA -0.296 57.814 58.200 -0.150 0.000 1.025 103 S CB -0.172 62.979 63.200 -0.081 0.000 0.851 103 S HN 0.298 nan 8.310 nan 0.000 0.530 104 I N 3.281 123.756 120.570 -0.158 0.000 2.933 104 I HA 0.066 4.216 4.170 -0.033 0.000 0.301 104 I C 0.697 176.706 176.117 -0.180 0.000 1.163 104 I CA 1.042 62.246 61.300 -0.161 0.000 1.629 104 I CB -2.367 35.570 38.000 -0.105 0.000 1.530 104 I HN 0.428 nan 8.210 nan 0.000 0.755 115 H N 0.204 119.339 119.070 0.108 0.000 3.007 115 H HA -0.124 4.411 4.556 -0.034 0.000 0.267 115 H C -0.126 175.318 175.328 0.193 0.000 1.266 115 H CA 1.075 57.200 56.048 0.128 0.000 1.116 115 H CB -1.806 28.104 29.762 0.245 0.000 1.282 115 H HN 0.646 nan 8.280 nan 0.000 0.372 116 T N -2.762 111.930 114.554 0.230 0.000 2.916 116 T HA 0.546 4.876 4.350 -0.033 0.000 0.292 116 T C 0.839 175.591 174.700 0.086 0.000 1.064 116 T CA -1.090 61.111 62.100 0.170 0.000 1.011 116 T CB 2.033 70.906 68.868 0.007 0.000 1.152 116 T HN -0.022 nan 8.240 nan 0.000 0.510 117 L N 1.855 123.092 121.223 0.023 0.000 2.675 117 L HA 0.335 4.655 4.340 -0.033 0.000 0.239 117 L C 2.101 178.953 176.870 -0.031 0.000 1.151 117 L CA 1.427 56.264 54.840 -0.005 0.000 0.905 117 L CB -1.138 40.881 42.059 -0.067 0.000 1.057 117 L HN 1.255 nan 8.230 nan 0.000 0.435 118 G N 0.309 109.089 108.800 -0.033 0.000 2.180 118 G HA2 -0.403 3.537 3.960 -0.033 0.000 0.263 118 G HA3 -0.403 3.537 3.960 -0.033 0.000 0.263 118 G C 0.795 175.670 174.900 -0.041 0.000 0.989 118 G CA 0.790 45.876 45.100 -0.022 0.000 0.692 118 G HN 0.611 nan 8.290 nan 0.000 0.526 119 N N -0.581 118.070 118.700 -0.083 0.000 2.184 119 N HA 0.402 5.122 4.740 -0.033 0.000 0.206 119 N C 1.465 176.925 175.510 -0.085 0.000 1.151 119 N CA 0.649 53.656 53.050 -0.072 0.000 0.878 119 N CB -0.085 38.358 38.487 -0.074 0.000 1.014 119 N HN 1.460 nan 8.380 nan 0.000 0.512 120 G N 0.273 108.982 108.800 -0.153 0.000 2.249 120 G HA2 -0.273 3.667 3.960 -0.033 0.000 0.273 120 G HA3 -0.273 3.667 3.960 -0.033 0.000 0.273 120 G C -0.873 173.969 174.900 -0.096 0.000 1.036 120 G CA 0.388 45.411 45.100 -0.129 0.000 0.824 120 G HN 0.581 nan 8.290 nan 0.000 0.504 121 D N -0.880 119.383 120.400 -0.228 0.000 2.329 121 D HA 0.570 5.190 4.640 -0.033 0.000 0.232 121 D C 0.549 176.714 176.300 -0.225 0.000 1.088 121 D CA -0.866 53.054 54.000 -0.133 0.000 0.835 121 D CB 0.322 41.026 40.800 -0.161 0.000 1.078 121 D HN 0.018 nan 8.370 nan 0.000 0.495 122 F N 1.032 120.999 119.950 0.028 0.000 2.661 122 F HA 0.086 4.591 4.527 -0.036 0.000 0.306 122 F C 2.138 178.018 175.800 0.133 0.000 1.094 122 F CA -0.051 58.038 58.000 0.149 0.000 1.254 122 F CB 0.702 39.747 39.000 0.075 0.000 1.040 122 F HN 0.364 nan 8.300 nan 0.000 0.562 123 T N -4.144 110.499 114.554 0.149 0.000 3.054 123 T HA 0.070 4.400 4.350 -0.033 0.000 0.255 123 T C 1.822 176.507 174.700 -0.027 0.000 1.035 123 T CA 0.648 62.826 62.100 0.129 0.000 0.941 123 T CB -0.299 68.627 68.868 0.097 0.000 1.026 123 T HN 0.061 nan 8.240 nan 0.000 0.533 124 V N 1.314 121.077 119.914 -0.252 0.000 2.223 124 V HA -0.065 4.035 4.120 -0.033 0.000 0.244 124 V C 2.084 177.992 176.094 -0.311 0.000 1.045 124 V CA 1.988 64.043 62.300 -0.408 0.000 1.000 124 V CB -0.862 30.619 31.823 -0.570 0.000 0.635 124 V HN 0.505 nan 8.190 nan 0.000 0.445 125 F N 0.507 120.445 119.950 -0.021 0.000 2.120 125 F HA -0.153 4.357 4.527 -0.028 0.000 0.300 125 F C 2.482 178.255 175.800 -0.045 0.000 1.095 125 F CA 1.897 59.877 58.000 -0.033 0.000 1.249 125 F CB -1.718 37.234 39.000 -0.080 0.000 0.995 125 F HN 0.393 nan 8.300 nan 0.000 0.480 126 H N 1.253 120.306 119.070 -0.029 0.000 2.319 126 H HA -0.104 4.442 4.556 -0.016 0.000 0.297 126 H C 2.251 177.375 175.328 -0.338 0.000 1.097 126 H CA 1.949 57.785 56.048 -0.354 0.000 1.285 126 H CB -0.234 29.475 29.762 -0.089 0.000 1.368 126 H HN 0.167 nan 8.280 nan 0.000 0.495 127 R N -0.805 119.612 120.500 -0.139 0.000 2.096 127 R HA -0.095 4.225 4.340 -0.033 0.000 0.235 127 R C 2.642 178.854 176.300 -0.147 0.000 1.127 127 R CA 1.654 57.629 56.100 -0.208 0.000 0.968 127 R CB -0.158 30.047 30.300 -0.158 0.000 0.861 127 R HN 0.377 nan 8.270 nan 0.000 0.440 128 M N -0.181 119.369 119.600 -0.083 0.000 2.193 128 M HA -0.067 4.393 4.480 -0.033 0.000 0.265 128 M C 2.242 178.496 176.300 -0.078 0.000 1.071 128 M CA 1.358 56.632 55.300 -0.044 0.000 1.140 128 M CB 0.062 32.685 32.600 0.037 0.000 1.369 128 M HN 0.001 nan 8.290 nan 0.000 0.423 129 S N 0.736 116.362 115.700 -0.124 0.000 2.382 129 S HA -0.093 4.357 4.470 -0.033 0.000 0.228 129 S C 2.091 176.587 174.600 -0.172 0.000 1.027 129 S CA 1.246 59.357 58.200 -0.148 0.000 0.991 129 S CB -0.440 62.580 63.200 -0.300 0.000 0.823 129 S HN 0.554 nan 8.310 nan 0.000 0.469 130 A N 2.622 125.311 122.820 -0.218 0.000 2.032 130 A HA -0.190 4.110 4.320 -0.033 0.000 0.221 130 A C 1.768 179.246 177.584 -0.175 0.000 1.165 130 A CA 1.539 53.470 52.037 -0.177 0.000 0.645 130 A CB -0.570 18.301 19.000 -0.215 0.000 0.807 130 A HN 0.506 nan 8.150 nan 0.000 0.453 131 N N -0.165 118.424 118.700 -0.185 0.000 2.457 131 N HA -0.013 4.707 4.740 -0.033 0.000 0.180 131 N C 0.986 176.251 175.510 -0.408 0.000 1.050 131 N CA 1.426 54.344 53.050 -0.221 0.000 0.906 131 N CB -0.099 38.297 38.487 -0.152 0.000 0.968 131 N HN 0.820 nan 8.380 nan 0.000 0.445 132 I N -2.589 117.739 120.570 -0.403 0.000 3.283 132 I HA 0.407 4.557 4.170 -0.033 0.000 0.342 132 I C -0.668 175.202 176.117 -0.412 0.000 1.510 132 I CA -0.428 60.494 61.300 -0.630 0.000 1.006 132 I CB 0.411 38.228 38.000 -0.306 0.000 1.596 132 I HN -0.308 nan 8.210 nan 0.000 0.509 133 S N 0.525 116.032 115.700 -0.323 0.000 2.549 133 S HA 0.319 4.769 4.470 -0.033 0.000 0.280 133 S C 0.455 175.112 174.600 0.095 0.000 1.109 133 S CA -0.422 57.778 58.200 0.000 0.000 0.905 133 S CB 2.607 65.839 63.200 0.054 0.000 1.081 133 S HN 0.366 nan 8.310 nan 0.000 0.477 134 E N 1.398 121.714 120.200 0.194 0.000 2.158 134 E HA 0.097 4.427 4.350 -0.033 0.000 0.191 134 E C 0.480 177.148 176.600 0.113 0.000 0.982 134 E CA 1.115 57.624 56.400 0.182 0.000 0.823 134 E CB 0.321 30.102 29.700 0.136 0.000 0.766 134 E HN 0.567 nan 8.360 nan 0.000 0.468 135 T N -1.646 112.977 114.554 0.114 0.000 2.840 135 T HA 0.428 4.758 4.350 -0.033 0.000 0.317 135 T C -1.503 173.284 174.700 0.145 0.000 1.401 135 T CA -0.348 61.816 62.100 0.106 0.000 1.028 135 T CB 1.507 70.434 68.868 0.097 0.000 1.317 135 T HN -0.030 nan 8.240 nan 0.000 0.495 136 T N 1.076 115.726 114.554 0.159 0.000 2.916 136 T HA 0.861 5.191 4.350 -0.033 0.000 0.292 136 T C -1.702 173.142 174.700 0.240 0.000 1.055 136 T CA -0.080 62.176 62.100 0.261 0.000 1.009 136 T CB 1.291 70.306 68.868 0.246 0.000 1.118 136 T HN 1.116 nan 8.240 nan 0.000 0.497 137 A N 3.255 126.238 122.820 0.271 0.000 2.491 137 A HA 0.692 4.992 4.320 -0.033 0.000 0.293 137 A C -1.264 176.371 177.584 0.085 0.000 1.047 137 A CA -0.681 51.451 52.037 0.158 0.000 0.735 137 A CB 1.569 20.626 19.000 0.095 0.000 1.281 137 A HN 0.759 nan 8.150 nan 0.000 0.398 138 M N 3.483 123.121 119.600 0.064 0.000 2.125 138 M HA 0.588 5.048 4.480 -0.033 0.000 0.321 138 M C -1.368 174.934 176.300 0.003 0.000 0.983 138 M CA -0.602 54.688 55.300 -0.017 0.000 0.934 138 M CB 0.384 32.982 32.600 -0.004 0.000 1.542 138 M HN 0.566 nan 8.290 nan 0.000 0.424 139 I N 4.684 125.239 120.570 -0.026 0.000 2.416 139 I HA 0.259 4.409 4.170 -0.033 0.000 0.288 139 I C 0.551 176.648 176.117 -0.034 0.000 1.051 139 I CA 0.098 61.383 61.300 -0.026 0.000 1.375 139 I CB 1.139 39.116 38.000 -0.037 0.000 1.407 139 I HN 0.912 nan 8.210 nan 0.000 0.516 140 T N -0.373 114.164 114.554 -0.027 0.000 3.130 140 T HA 0.234 4.564 4.350 -0.033 0.000 0.288 140 T C -0.147 174.533 174.700 -0.033 0.000 0.936 140 T CA -0.378 61.702 62.100 -0.033 0.000 0.897 140 T CB 0.224 69.079 68.868 -0.021 0.000 1.178 140 T HN 0.477 nan 8.240 nan 0.000 0.543 141 D N 0.910 121.290 120.400 -0.033 0.000 2.966 141 D HA 0.298 4.918 4.640 -0.033 0.000 0.222 141 D C 0.380 176.654 176.300 -0.044 0.000 1.292 141 D CA -0.535 53.444 54.000 -0.035 0.000 0.907 141 D CB 1.904 42.688 40.800 -0.027 0.000 1.621 141 D HN 0.150 nan 8.370 nan 0.000 0.557 142 I N 1.269 121.809 120.570 -0.051 0.000 3.564 142 I HA 0.207 4.357 4.170 -0.033 0.000 0.294 142 I C 1.932 178.005 176.117 -0.073 0.000 1.289 142 I CA 0.292 61.551 61.300 -0.068 0.000 1.325 142 I CB -0.476 37.481 38.000 -0.071 0.000 1.039 142 I HN 0.286 nan 8.210 nan 0.000 0.474 143 A N 1.429 124.217 122.820 -0.054 0.000 1.930 143 A HA -0.076 4.224 4.320 -0.033 0.000 0.215 143 A C 2.372 179.924 177.584 -0.053 0.000 1.176 143 A CA 1.997 54.004 52.037 -0.051 0.000 0.632 143 A CB -0.998 17.980 19.000 -0.036 0.000 0.819 143 A HN 0.538 nan 8.150 nan 0.000 0.445 144 T N -3.633 110.894 114.554 -0.044 0.000 2.990 144 T HA 0.456 4.786 4.350 -0.033 0.000 0.250 144 T C 1.889 176.564 174.700 -0.040 0.000 1.041 144 T CA 0.933 63.012 62.100 -0.035 0.000 1.010 144 T CB -0.082 68.776 68.868 -0.016 0.000 1.003 144 T HN 0.511 nan 8.240 nan 0.000 0.499 145 A N 3.448 126.235 122.820 -0.054 0.000 1.906 145 A HA -0.131 4.170 4.320 -0.033 0.000 0.222 145 A C 0.227 177.777 177.584 -0.058 0.000 1.282 145 A CA 2.171 54.174 52.037 -0.057 0.000 0.675 145 A CB -1.924 17.032 19.000 -0.073 0.000 0.838 145 A HN 0.472 nan 8.150 nan 0.000 0.469 146 P HA -0.144 nan 4.420 nan 0.000 0.216 146 P C 1.760 179.080 177.300 0.032 0.000 1.153 146 P CA 2.096 65.076 63.100 -0.200 0.000 0.858 146 P CB -0.174 31.232 31.700 -0.490 0.000 0.789 147 A N -0.367 122.453 122.820 0.000 0.000 1.902 147 A HA -0.215 4.085 4.320 -0.033 0.000 0.217 147 A C 2.203 179.817 177.584 0.049 0.000 1.181 147 A CA 1.520 53.578 52.037 0.035 0.000 0.623 147 A CB -1.051 17.955 19.000 0.010 0.000 0.818 147 A HN 0.067 nan 8.150 nan 0.000 0.443 148 E N 0.104 120.326 120.200 0.036 0.000 2.001 148 E HA -0.164 4.166 4.350 -0.033 0.000 0.195 148 E C 2.047 178.681 176.600 0.056 0.000 1.002 148 E CA 1.179 57.603 56.400 0.040 0.000 0.819 148 E CB -0.623 29.093 29.700 0.026 0.000 0.769 148 E HN 0.660 nan 8.360 nan 0.000 0.454 149 I N 1.743 122.352 120.570 0.065 0.000 2.103 149 I HA -0.370 3.780 4.170 -0.033 0.000 0.241 149 I C 2.049 178.212 176.117 0.077 0.000 1.036 149 I CA 1.823 63.169 61.300 0.076 0.000 1.300 149 I CB -0.495 37.596 38.000 0.152 0.000 1.010 149 I HN 0.059 nan 8.210 nan 0.000 0.406 150 D N 0.024 120.493 120.400 0.116 0.000 2.133 150 D HA -0.226 4.394 4.640 -0.033 0.000 0.195 150 D C 2.160 178.500 176.300 0.068 0.000 0.997 150 D CA 1.239 55.290 54.000 0.085 0.000 0.840 150 D CB -0.367 40.498 40.800 0.108 0.000 0.947 150 D HN 0.308 nan 8.370 nan 0.000 0.452 151 R N 0.389 120.931 120.500 0.070 0.000 2.070 151 R HA -0.124 4.196 4.340 -0.033 0.000 0.232 151 R C 2.197 178.542 176.300 0.074 0.000 1.138 151 R CA 1.653 57.794 56.100 0.069 0.000 0.936 151 R CB -0.813 29.526 30.300 0.064 0.000 0.839 151 R HN 0.205 nan 8.270 nan 0.000 0.429 152 C N 0.771 120.113 119.300 0.070 0.000 2.401 152 C HA -0.120 4.320 4.460 -0.033 0.000 0.276 152 C C 2.697 177.736 174.990 0.082 0.000 1.233 152 C CA 0.789 59.852 59.018 0.075 0.000 1.753 152 C CB -0.929 26.849 27.740 0.062 0.000 2.029 152 C HN 0.548 nan 8.230 nan 0.000 0.478 153 I N 0.153 120.764 120.570 0.068 0.000 2.286 153 I HA -0.203 3.947 4.170 -0.033 0.000 0.248 153 I C 2.886 179.074 176.117 0.119 0.000 1.115 153 I CA 1.417 62.762 61.300 0.075 0.000 1.392 153 I CB -0.621 37.396 38.000 0.028 0.000 1.065 153 I HN 0.366 nan 8.210 nan 0.000 0.418 154 R N 0.661 121.227 120.500 0.109 0.000 2.075 154 R HA -0.140 4.180 4.340 -0.033 0.000 0.232 154 R C 2.204 178.601 176.300 0.161 0.000 1.126 154 R CA 1.956 58.143 56.100 0.146 0.000 0.963 154 R CB -0.287 30.081 30.300 0.113 0.000 0.858 154 R HN 0.241 nan 8.270 nan 0.000 0.435 155 T N 0.328 114.956 114.554 0.123 0.000 2.746 155 T HA -0.101 4.229 4.350 -0.033 0.000 0.267 155 T C 1.700 176.462 174.700 0.105 0.000 1.039 155 T CA 1.884 64.049 62.100 0.108 0.000 1.142 155 T CB -0.328 68.597 68.868 0.096 0.000 0.866 155 T HN 0.376 nan 8.240 nan 0.000 0.444 156 T N 1.091 115.717 114.554 0.121 0.000 2.652 156 T HA -0.136 4.194 4.350 -0.033 0.000 0.267 156 T C 1.561 176.322 174.700 0.101 0.000 1.039 156 T CA 1.402 63.571 62.100 0.115 0.000 1.153 156 T CB -0.542 68.411 68.868 0.141 0.000 0.863 156 T HN 0.379 nan 8.240 nan 0.000 0.428 157 Y N 2.460 122.789 120.300 0.050 0.000 2.034 157 Y HA -0.228 4.302 4.550 -0.033 0.000 0.269 157 Y C 2.619 178.546 175.900 0.045 0.000 1.125 157 Y CA 1.643 59.768 58.100 0.041 0.000 1.097 157 Y CB -1.005 37.480 38.460 0.041 0.000 0.978 157 Y HN 0.080 nan 8.280 nan 0.000 0.480 158 V N -2.977 116.913 119.914 -0.040 0.000 2.469 158 V HA -0.235 3.865 4.120 -0.033 0.000 0.251 158 V C 1.780 177.868 176.094 -0.011 0.000 1.064 158 V CA 2.623 64.894 62.300 -0.048 0.000 1.066 158 V CB -1.413 30.467 31.823 0.095 0.000 0.667 158 V HN 0.515 nan 8.190 nan 0.000 0.461 159 T N -1.387 113.177 114.554 0.016 0.000 3.044 159 T HA 0.108 4.438 4.350 -0.033 0.000 0.255 159 T C 0.547 175.276 174.700 0.049 0.000 1.073 159 T CA 0.611 62.758 62.100 0.078 0.000 1.125 159 T CB -0.187 68.713 68.868 0.054 0.000 0.908 159 T HN 0.590 nan 8.240 nan 0.000 0.480 160 Q N 0.534 120.282 119.800 -0.086 0.000 2.464 160 Q HA -0.128 4.192 4.340 -0.033 0.000 0.304 160 Q C -0.262 175.687 176.000 -0.085 0.000 1.401 160 Q CA 0.678 56.388 55.803 -0.154 0.000 0.806 160 Q CB -1.186 27.314 28.738 -0.397 0.000 1.134 160 Q HN 0.472 nan 8.270 nan 0.000 0.411 161 R N -0.403 120.074 120.500 -0.039 0.000 2.626 161 R HA 0.481 4.801 4.340 -0.033 0.000 0.274 161 R C -2.593 173.748 176.300 0.068 0.000 1.031 161 R CA -1.898 54.182 56.100 -0.034 0.000 0.898 161 R CB 1.640 31.898 30.300 -0.069 0.000 1.222 161 R HN -0.148 nan 8.270 nan 0.000 0.455 162 P HA -0.027 nan 4.420 nan 0.000 0.266 162 P C -1.148 176.254 177.300 0.169 0.000 1.186 162 P CA 0.038 63.228 63.100 0.151 0.000 0.767 162 P CB 0.562 32.367 31.700 0.175 0.000 0.820 163 V N 2.876 122.896 119.914 0.176 0.000 2.808 163 V HA 0.280 4.380 4.120 -0.033 0.000 0.308 163 V C -1.170 175.059 176.094 0.224 0.000 1.099 163 V CA -0.625 61.785 62.300 0.183 0.000 0.920 163 V CB 1.955 33.863 31.823 0.140 0.000 1.014 163 V HN 0.367 nan 8.190 nan 0.000 0.425 164 Y N 4.922 125.279 120.300 0.094 0.000 2.342 164 Y HA 0.745 5.282 4.550 -0.023 0.000 0.338 164 Y C -0.759 175.149 175.900 0.013 0.000 0.965 164 Y CA -0.634 57.500 58.100 0.058 0.000 1.159 164 Y CB 1.558 40.065 38.460 0.078 0.000 1.157 164 Y HN 0.620 nan 8.280 nan 0.000 0.486 165 L N 6.806 127.847 121.223 -0.304 0.000 2.345 165 L HA 0.688 5.008 4.340 -0.033 0.000 0.274 165 L C -0.119 176.492 176.870 -0.431 0.000 0.999 165 L CA -0.217 54.488 54.840 -0.226 0.000 0.849 165 L CB 1.100 43.088 42.059 -0.119 0.000 1.220 165 L HN 0.776 nan 8.230 nan 0.000 0.422 166 G N 4.782 113.376 108.800 -0.342 0.000 2.353 166 G HA2 0.492 4.432 3.960 -0.033 0.000 0.284 166 G HA3 0.492 4.432 3.960 -0.033 0.000 0.284 166 G C -1.285 173.520 174.900 -0.158 0.000 1.172 166 G CA -0.322 44.611 45.100 -0.278 0.000 0.854 166 G HN 0.458 nan 8.290 nan 0.000 0.485 167 L N 4.718 125.863 121.223 -0.129 0.000 2.442 167 L HA 0.475 4.795 4.340 -0.033 0.000 0.261 167 L C -2.427 174.403 176.870 -0.068 0.000 1.000 167 L CA -3.006 51.780 54.840 -0.089 0.000 0.882 167 L CB 1.711 43.715 42.059 -0.092 0.000 1.207 167 L HN 0.215 nan 8.230 nan 0.000 0.443 168 P HA 0.065 nan 4.420 nan 0.000 0.261 168 P C 0.685 177.960 177.300 -0.042 0.000 1.183 168 P CA 0.429 63.479 63.100 -0.084 0.000 0.761 168 P CB 0.743 32.381 31.700 -0.104 0.000 0.785 169 A N 5.137 127.955 122.820 -0.004 0.000 1.971 169 A HA -0.297 4.003 4.320 -0.033 0.000 0.222 169 A C 1.982 179.574 177.584 0.013 0.000 1.182 169 A CA 2.295 54.358 52.037 0.044 0.000 0.649 169 A CB -1.139 17.938 19.000 0.128 0.000 0.818 169 A HN 0.699 nan 8.150 nan 0.000 0.458 170 N N 0.381 119.075 118.700 -0.010 0.000 2.216 170 N HA -0.096 4.624 4.740 -0.033 0.000 0.183 170 N C 1.607 177.103 175.510 -0.023 0.000 1.017 170 N CA 1.649 54.689 53.050 -0.018 0.000 0.861 170 N CB -0.724 37.744 38.487 -0.031 0.000 0.986 170 N HN 0.523 nan 8.380 nan 0.000 0.428 171 L N 0.670 121.874 121.223 -0.032 0.000 2.291 171 L HA 0.001 4.321 4.340 -0.033 0.000 0.214 171 L C 2.342 179.194 176.870 -0.030 0.000 1.120 171 L CA 0.297 55.116 54.840 -0.035 0.000 0.799 171 L CB -0.222 41.810 42.059 -0.045 0.000 0.925 171 L HN -0.036 nan 8.230 nan 0.000 0.446 172 V N -0.338 119.563 119.914 -0.022 0.000 2.453 172 V HA -0.313 3.787 4.120 -0.033 0.000 0.252 172 V C 1.622 177.714 176.094 -0.004 0.000 1.068 172 V CA 1.822 64.114 62.300 -0.014 0.000 1.070 172 V CB -0.394 31.428 31.823 -0.003 0.000 0.664 172 V HN 0.471 nan 8.190 nan 0.000 0.461 173 D N -0.727 119.670 120.400 -0.005 0.000 2.349 173 D HA 0.151 4.771 4.640 -0.033 0.000 0.214 173 D C 0.332 176.627 176.300 -0.009 0.000 1.063 173 D CA -0.059 53.940 54.000 -0.002 0.000 0.847 173 D CB 0.532 41.332 40.800 -0.000 0.000 0.933 173 D HN 0.240 nan 8.370 nan 0.000 0.513 174 L N 1.342 122.554 121.223 -0.019 0.000 2.371 174 L HA 0.148 4.468 4.340 -0.033 0.000 0.272 174 L C 0.514 177.365 176.870 -0.032 0.000 1.124 174 L CA 0.011 54.834 54.840 -0.028 0.000 0.816 174 L CB 0.732 42.770 42.059 -0.035 0.000 1.129 174 L HN -0.179 nan 8.230 nan 0.000 0.448 175 N N 1.162 119.842 118.700 -0.034 0.000 2.515 175 N HA 0.568 5.288 4.740 -0.033 0.000 0.279 175 N C -1.218 174.254 175.510 -0.063 0.000 1.164 175 N CA -0.564 52.464 53.050 -0.037 0.000 0.982 175 N CB 1.631 40.103 38.487 -0.024 0.000 1.170 175 N HN 0.241 nan 8.380 nan 0.000 0.474 176 V N 2.191 122.062 119.914 -0.071 0.000 2.971 176 V HA 0.380 4.480 4.120 -0.033 0.000 0.309 176 V C -2.395 173.654 176.094 -0.075 0.000 1.130 176 V CA -1.878 60.353 62.300 -0.115 0.000 0.964 176 V CB 2.476 34.163 31.823 -0.226 0.000 1.029 176 V HN 0.590 nan 8.190 nan 0.000 0.427 177 P HA 0.090 nan 4.420 nan 0.000 0.261 177 P C 0.404 177.699 177.300 -0.009 0.000 1.203 177 P CA 0.275 63.354 63.100 -0.035 0.000 0.767 177 P CB 0.762 32.441 31.700 -0.035 0.000 0.785 178 A N 5.448 128.279 122.820 0.018 0.000 2.070 178 A HA -0.225 4.075 4.320 -0.033 0.000 0.220 178 A C 1.910 179.532 177.584 0.063 0.000 1.159 178 A CA 1.568 53.637 52.037 0.054 0.000 0.656 178 A CB -0.909 18.118 19.000 0.045 0.000 0.800 178 A HN 0.619 nan 8.150 nan 0.000 0.453 179 K N 0.088 120.511 120.400 0.039 0.000 2.211 179 K HA -0.064 4.236 4.320 -0.033 0.000 0.204 179 K C 1.507 178.140 176.600 0.055 0.000 1.047 179 K CA 1.497 57.806 56.287 0.037 0.000 0.935 179 K CB -0.639 31.874 32.500 0.021 0.000 0.728 179 K HN 0.446 nan 8.250 nan 0.000 0.452 180 L N 1.078 122.345 121.223 0.073 0.000 2.265 180 L HA -0.117 4.203 4.340 -0.033 0.000 0.215 180 L C 2.299 179.271 176.870 0.170 0.000 1.117 180 L CA 0.873 55.781 54.840 0.114 0.000 0.782 180 L CB -0.493 41.630 42.059 0.106 0.000 0.914 180 L HN 0.221 nan 8.230 nan 0.000 0.441 181 L N -0.815 120.508 121.223 0.167 0.000 2.291 181 L HA -0.154 4.166 4.340 -0.033 0.000 0.214 181 L C 2.306 179.201 176.870 0.042 0.000 1.120 181 L CA 0.659 55.555 54.840 0.094 0.000 0.799 181 L CB -0.286 41.816 42.059 0.072 0.000 0.925 181 L HN 0.311 nan 8.230 nan 0.000 0.446 182 Q N -0.624 119.202 119.800 0.044 0.000 2.436 182 Q HA -0.027 4.293 4.340 -0.033 0.000 0.209 182 Q C 0.162 176.175 176.000 0.023 0.000 0.965 182 Q CA 0.656 56.475 55.803 0.026 0.000 0.910 182 Q CB -0.076 28.676 28.738 0.023 0.000 0.980 182 Q HN 0.351 nan 8.270 nan 0.000 0.491 183 T N 2.155 116.728 114.554 0.032 0.000 2.771 183 T HA 0.421 4.751 4.350 -0.033 0.000 0.281 183 T C -2.527 172.186 174.700 0.022 0.000 0.982 183 T CA -1.868 60.249 62.100 0.028 0.000 0.978 183 T CB 1.426 70.315 68.868 0.035 0.000 0.930 183 T HN -0.090 nan 8.240 nan 0.000 0.447 184 P HA 0.418 nan 4.420 nan 0.000 0.282 184 P C -0.219 177.084 177.300 0.006 0.000 1.249 184 P CA -0.788 62.310 63.100 -0.003 0.000 0.806 184 P CB 0.557 32.251 31.700 -0.010 0.000 0.984 185 I N 1.110 121.676 120.570 -0.006 0.000 2.696 185 I HA 0.043 4.193 4.170 -0.033 0.000 0.284 185 I C 0.906 177.032 176.117 0.015 0.000 1.129 185 I CA 0.116 61.422 61.300 0.011 0.000 1.410 185 I CB 0.076 38.075 38.000 -0.002 0.000 1.399 185 I HN 0.316 nan 8.210 nan 0.000 0.579 186 D N 6.061 126.483 120.400 0.037 0.000 2.325 186 D HA 0.171 4.791 4.640 -0.033 0.000 0.251 186 D C 0.321 176.663 176.300 0.071 0.000 1.196 186 D CA -0.077 53.953 54.000 0.050 0.000 0.866 186 D CB 0.843 41.677 40.800 0.057 0.000 1.101 186 D HN 0.292 nan 8.370 nan 0.000 0.476 187 M N 1.665 121.306 119.600 0.068 0.000 2.333 187 M HA 0.061 4.521 4.480 -0.033 0.000 0.257 187 M C 0.375 176.811 176.300 0.227 0.000 1.078 187 M CA -0.051 55.318 55.300 0.117 0.000 1.005 187 M CB -0.650 31.906 32.600 -0.074 0.000 1.444 187 M HN 0.400 nan 8.290 nan 0.000 0.496 188 S N 1.070 116.870 115.700 0.166 0.000 2.537 188 S HA 0.489 4.939 4.470 -0.033 0.000 0.275 188 S C 0.017 174.736 174.600 0.199 0.000 1.272 188 S CA -0.709 57.603 58.200 0.187 0.000 1.050 188 S CB 1.401 64.688 63.200 0.145 0.000 0.961 188 S HN 0.149 nan 8.310 nan 0.000 0.496 189 L N 2.799 124.168 121.223 0.244 0.000 2.483 189 L HA 0.325 4.645 4.340 -0.033 0.000 0.275 189 L C 0.882 177.920 176.870 0.280 0.000 1.220 189 L CA 0.545 55.546 54.840 0.268 0.000 0.833 189 L CB 0.093 42.344 42.059 0.321 0.000 1.102 189 L HN 0.765 nan 8.230 nan 0.000 0.490 190 K N 4.343 124.876 120.400 0.222 0.000 2.237 190 K HA 0.284 4.584 4.320 -0.033 0.000 0.270 190 K C -2.349 174.312 176.600 0.102 0.000 1.015 190 K CA -1.520 54.844 56.287 0.128 0.000 0.949 190 K CB 0.892 33.457 32.500 0.108 0.000 0.976 190 K HN 0.329 nan 8.250 nan 0.000 0.472 191 P HA 0.080 nan 4.420 nan 0.000 0.275 191 P C -0.492 176.725 177.300 -0.137 0.000 1.227 191 P CA -0.304 62.572 63.100 -0.373 0.000 0.781 191 P CB 0.453 31.961 31.700 -0.319 0.000 0.906 192 N N 1.345 119.986 118.700 -0.098 0.000 2.326 192 N HA -0.003 4.717 4.740 -0.033 0.000 0.239 192 N C 0.072 175.589 175.510 0.012 0.000 1.301 192 N CA 0.164 53.243 53.050 0.049 0.000 0.909 192 N CB -0.077 38.482 38.487 0.120 0.000 1.156 192 N HN 0.511 nan 8.380 nan 0.000 0.462 193 D N -0.363 120.062 120.400 0.042 0.000 2.417 193 D HA 0.197 4.817 4.640 -0.033 0.000 0.250 193 D C 0.710 177.026 176.300 0.026 0.000 1.166 193 D CA -0.263 53.756 54.000 0.032 0.000 0.881 193 D CB 0.708 41.537 40.800 0.048 0.000 1.164 193 D HN 0.473 nan 8.370 nan 0.000 0.467 194 A N 4.002 126.828 122.820 0.010 0.000 1.902 194 A HA -0.177 4.123 4.320 -0.033 0.000 0.217 194 A C 1.886 179.480 177.584 0.016 0.000 1.181 194 A CA 1.342 53.382 52.037 0.006 0.000 0.623 194 A CB -0.496 18.501 19.000 -0.005 0.000 0.818 194 A HN 0.663 nan 8.150 nan 0.000 0.443 195 E N 0.425 120.640 120.200 0.024 0.000 2.072 195 E HA -0.081 4.249 4.350 -0.033 0.000 0.191 195 E C 2.389 179.015 176.600 0.043 0.000 0.985 195 E CA 1.526 57.944 56.400 0.030 0.000 0.801 195 E CB -0.319 29.401 29.700 0.034 0.000 0.750 195 E HN 0.615 nan 8.360 nan 0.000 0.452 196 S N 0.685 116.421 115.700 0.060 0.000 2.345 196 S HA -0.206 4.244 4.470 -0.033 0.000 0.220 196 S C 1.974 176.588 174.600 0.023 0.000 1.031 196 S CA 1.244 59.499 58.200 0.091 0.000 0.996 196 S CB -0.395 62.884 63.200 0.130 0.000 0.882 196 S HN 0.295 nan 8.310 nan 0.000 0.445 197 E N 1.346 121.559 120.200 0.022 0.000 2.086 197 E HA -0.244 4.086 4.350 -0.033 0.000 0.200 197 E C 2.086 178.670 176.600 -0.028 0.000 1.012 197 E CA 1.125 57.525 56.400 0.000 0.000 0.812 197 E CB 0.005 29.724 29.700 0.032 0.000 0.743 197 E HN 0.169 nan 8.360 nan 0.000 0.453 198 K N 0.545 120.939 120.400 -0.010 0.000 1.991 198 K HA -0.191 4.109 4.320 -0.033 0.000 0.212 198 K C 2.092 178.671 176.600 -0.035 0.000 1.049 198 K CA 1.093 57.372 56.287 -0.014 0.000 0.932 198 K CB -0.444 32.057 32.500 0.002 0.000 0.717 198 K HN 0.167 nan 8.250 nan 0.000 0.441 199 E N 0.634 120.820 120.200 -0.024 0.000 2.113 199 E HA -0.206 4.124 4.350 -0.033 0.000 0.210 199 E C 2.086 178.604 176.600 -0.136 0.000 1.040 199 E CA 1.564 57.950 56.400 -0.024 0.000 0.847 199 E CB -0.303 29.433 29.700 0.060 0.000 0.755 199 E HN 0.040 nan 8.360 nan 0.000 0.459 200 V N 1.182 120.924 119.914 -0.287 0.000 2.223 200 V HA -0.276 3.824 4.120 -0.033 0.000 0.244 200 V C 2.590 178.545 176.094 -0.231 0.000 1.045 200 V CA 1.932 63.962 62.300 -0.450 0.000 1.000 200 V CB -0.583 30.901 31.823 -0.565 0.000 0.635 200 V HN 0.225 nan 8.190 nan 0.000 0.445 201 I N 0.400 120.889 120.570 -0.135 0.000 2.091 201 I HA -0.371 3.779 4.170 -0.033 0.000 0.240 201 I C 2.368 178.456 176.117 -0.048 0.000 1.046 201 I CA 2.157 63.422 61.300 -0.059 0.000 1.306 201 I CB -0.652 37.338 38.000 -0.017 0.000 1.018 201 I HN 0.345 nan 8.210 nan 0.000 0.404 202 D N 0.226 120.599 120.400 -0.045 0.000 2.116 202 D HA -0.172 4.448 4.640 -0.033 0.000 0.193 202 D C 2.246 178.530 176.300 -0.026 0.000 0.998 202 D CA 2.000 55.985 54.000 -0.025 0.000 0.836 202 D CB -0.484 40.307 40.800 -0.015 0.000 0.951 202 D HN 0.341 nan 8.370 nan 0.000 0.449 203 T N 0.518 115.043 114.554 -0.048 0.000 2.904 203 T HA 0.015 4.345 4.350 -0.033 0.000 0.267 203 T C 2.205 176.875 174.700 -0.049 0.000 1.059 203 T CA 0.216 62.292 62.100 -0.040 0.000 1.137 203 T CB -0.020 68.823 68.868 -0.042 0.000 0.879 203 T HN 0.139 nan 8.240 nan 0.000 0.467 204 I N 0.868 121.395 120.570 -0.072 0.000 2.142 204 I HA -0.153 3.997 4.170 -0.033 0.000 0.240 204 I C 2.240 178.357 176.117 -0.001 0.000 1.078 204 I CA 1.274 62.546 61.300 -0.048 0.000 1.343 204 I CB -0.314 37.653 38.000 -0.054 0.000 1.046 204 I HN 0.206 nan 8.210 nan 0.000 0.405 205 L N 0.383 121.610 121.223 0.007 0.000 2.013 205 L HA -0.266 4.054 4.340 -0.033 0.000 0.212 205 L C 2.831 179.713 176.870 0.021 0.000 1.073 205 L CA 1.563 56.417 54.840 0.024 0.000 0.753 205 L CB -0.905 41.166 42.059 0.020 0.000 0.890 205 L HN 0.279 nan 8.230 nan 0.000 0.432 206 A N -0.173 122.652 122.820 0.008 0.000 1.858 206 A HA -0.193 4.107 4.320 -0.033 0.000 0.216 206 A C 2.160 179.746 177.584 0.004 0.000 1.190 206 A CA 1.469 53.511 52.037 0.008 0.000 0.617 206 A CB -0.721 18.281 19.000 0.004 0.000 0.827 206 A HN 0.258 nan 8.150 nan 0.000 0.443 207 L N -0.267 120.952 121.223 -0.007 0.000 2.131 207 L HA -0.098 4.222 4.340 -0.033 0.000 0.210 207 L C 2.519 179.372 176.870 -0.027 0.000 1.092 207 L CA 1.298 56.125 54.840 -0.021 0.000 0.759 207 L CB -0.733 41.306 42.059 -0.034 0.000 0.903 207 L HN 0.202 nan 8.230 nan 0.000 0.435 208 V N -0.776 119.135 119.914 -0.004 0.000 2.515 208 V HA -0.259 3.842 4.120 -0.033 0.000 0.250 208 V C 2.529 178.644 176.094 0.034 0.000 1.058 208 V CA 1.409 63.716 62.300 0.012 0.000 1.064 208 V CB -0.450 31.435 31.823 0.104 0.000 0.675 208 V HN 0.446 nan 8.190 nan 0.000 0.461 209 K N -0.527 119.896 120.400 0.038 0.000 2.365 209 K HA -0.139 4.161 4.320 -0.033 0.000 0.199 209 K C 1.252 177.875 176.600 0.039 0.000 1.045 209 K CA 1.233 57.550 56.287 0.049 0.000 0.962 209 K CB 0.044 32.567 32.500 0.038 0.000 0.759 209 K HN 0.481 nan 8.250 nan 0.000 0.469 210 D N -0.003 120.407 120.400 0.016 0.000 2.392 210 D HA 0.057 4.677 4.640 -0.033 0.000 0.206 210 D C 0.055 176.353 176.300 -0.004 0.000 1.046 210 D CA 0.112 54.117 54.000 0.009 0.000 0.865 210 D CB 0.398 41.198 40.800 -0.001 0.000 0.969 210 D HN 0.130 nan 8.370 nan 0.000 0.509 211 A N 1.137 123.936 122.820 -0.035 0.000 2.450 211 A HA 0.114 4.414 4.320 -0.033 0.000 0.255 211 A C 1.156 178.729 177.584 -0.019 0.000 1.096 211 A CA 0.025 52.017 52.037 -0.074 0.000 0.778 211 A CB 0.610 19.494 19.000 -0.194 0.000 1.031 211 A HN -0.076 nan 8.150 nan 0.000 0.494 212 K N 0.790 121.196 120.400 0.009 0.000 2.334 212 K HA 0.026 4.326 4.320 -0.033 0.000 0.195 212 K C 0.090 176.785 176.600 0.159 0.000 1.045 212 K CA 0.471 56.817 56.287 0.100 0.000 1.004 212 K CB 0.304 32.843 32.500 0.065 0.000 0.837 212 K HN 0.664 nan 8.250 nan 0.000 0.510 213 N N 1.263 119.979 118.700 0.027 0.000 2.765 213 N HA 0.166 4.886 4.740 -0.033 0.000 0.277 213 N C -2.998 172.410 175.510 -0.171 0.000 1.750 213 N CA -2.126 50.931 53.050 0.011 0.000 0.827 213 N CB 0.887 39.390 38.487 0.027 0.000 1.200 213 N HN -0.154 nan 8.380 nan 0.000 0.494 214 P HA 0.211 nan 4.420 nan 0.000 0.274 214 P C -0.668 176.366 177.300 -0.443 0.000 1.231 214 P CA -0.351 62.373 63.100 -0.628 0.000 0.790 214 P CB 1.633 32.487 31.700 -1.411 0.000 0.951 215 V N 3.118 122.861 119.914 -0.285 0.000 2.925 215 V HA 0.414 4.514 4.120 -0.033 0.000 0.311 215 V C -0.082 176.001 176.094 -0.020 0.000 1.104 215 V CA -0.748 61.511 62.300 -0.068 0.000 0.954 215 V CB 2.264 34.052 31.823 -0.058 0.000 1.022 215 V HN 0.373 nan 8.190 nan 0.000 0.427 216 I N 4.370 124.994 120.570 0.091 0.000 2.377 216 I HA 0.482 4.632 4.170 -0.033 0.000 0.293 216 I C -1.004 175.162 176.117 0.083 0.000 0.987 216 I CA -0.578 60.761 61.300 0.065 0.000 1.185 216 I CB 1.723 39.762 38.000 0.064 0.000 1.341 216 I HN 0.351 nan 8.210 nan 0.000 0.455 217 L N 6.782 128.027 121.223 0.038 0.000 2.356 217 L HA 0.766 5.086 4.340 -0.033 0.000 0.277 217 L C -0.487 176.388 176.870 0.009 0.000 0.996 217 L CA -0.179 54.689 54.840 0.047 0.000 0.822 217 L CB 1.579 43.641 42.059 0.005 0.000 1.256 217 L HN 0.647 nan 8.230 nan 0.000 0.413 218 A N 3.508 126.339 122.820 0.018 0.000 2.303 218 A HA 0.696 4.996 4.320 -0.033 0.000 0.320 218 A C -1.003 176.576 177.584 -0.009 0.000 1.192 218 A CA -0.507 51.517 52.037 -0.023 0.000 0.821 218 A CB 0.832 19.811 19.000 -0.034 0.000 1.188 218 A HN 0.666 nan 8.150 nan 0.000 0.492 219 D N 1.497 121.881 120.400 -0.027 0.000 2.654 219 D HA 0.641 5.261 4.640 -0.033 0.000 0.255 219 D C 1.533 177.812 176.300 -0.035 0.000 1.101 219 D CA 0.236 54.224 54.000 -0.020 0.000 1.116 219 D CB 1.831 42.625 40.800 -0.010 0.000 1.348 219 D HN 0.480 nan 8.370 nan 0.000 0.609 220 A N -0.011 122.787 122.820 -0.037 0.000 1.935 220 A HA -0.303 3.997 4.320 -0.033 0.000 0.224 220 A C 2.301 179.862 177.584 -0.037 0.000 1.324 220 A CA 2.656 54.667 52.037 -0.044 0.000 0.686 220 A CB -1.382 17.581 19.000 -0.061 0.000 0.837 220 A HN 0.675 nan 8.150 nan 0.000 0.481 221 C N -1.842 117.437 119.300 -0.036 0.000 2.472 221 C HA 0.006 4.446 4.460 -0.033 0.000 0.278 221 C C 2.809 177.818 174.990 0.031 0.000 1.447 221 C CA 0.022 59.062 59.018 0.036 0.000 1.773 221 C CB -2.215 25.546 27.740 0.035 0.000 1.793 221 C HN 0.822 nan 8.230 nan 0.000 0.544 222 C N 2.020 121.303 119.300 -0.027 0.000 2.440 222 C HA -0.074 4.366 4.460 -0.033 0.000 0.278 222 C C 2.984 177.951 174.990 -0.038 0.000 1.295 222 C CA 2.004 60.989 59.018 -0.054 0.000 1.738 222 C CB -1.155 26.538 27.740 -0.078 0.000 1.987 222 C HN 0.710 nan 8.230 nan 0.000 0.492 223 S N 0.755 116.432 115.700 -0.038 0.000 2.356 223 S HA -0.000 4.450 4.470 -0.033 0.000 0.219 223 S C 1.908 176.515 174.600 0.013 0.000 1.036 223 S CA 0.594 58.775 58.200 -0.032 0.000 0.965 223 S CB -0.558 62.587 63.200 -0.092 0.000 0.864 223 S HN 0.491 nan 8.310 nan 0.000 0.471 224 R N 1.497 121.999 120.500 0.004 0.000 2.096 224 R HA -0.013 4.307 4.340 -0.033 0.000 0.240 224 R C 0.805 176.990 176.300 -0.192 0.000 1.139 224 R CA 1.557 57.622 56.100 -0.059 0.000 0.952 224 R CB -0.974 29.300 30.300 -0.043 0.000 0.854 224 R HN 0.612 nan 8.270 nan 0.000 0.436 225 H N 0.738 119.786 119.070 -0.036 0.000 2.655 225 H HA 0.095 4.631 4.556 -0.034 0.000 0.309 225 H C -0.561 174.724 175.328 -0.070 0.000 1.180 225 H CA 0.153 56.165 56.048 -0.059 0.000 1.087 225 H CB -0.517 29.217 29.762 -0.047 0.000 1.494 225 H HN 0.248 nan 8.280 nan 0.000 0.515 226 D N -1.224 119.176 120.400 0.001 0.000 2.713 226 D HA -0.213 4.407 4.640 -0.033 0.000 0.231 226 D C 0.231 176.514 176.300 -0.027 0.000 1.173 226 D CA 0.512 54.509 54.000 -0.005 0.000 0.628 226 D CB -1.614 39.185 40.800 -0.002 0.000 1.033 226 D HN 0.348 nan 8.370 nan 0.000 0.419 227 V N -0.709 119.181 119.914 -0.040 0.000 3.578 227 V HA 0.006 4.106 4.120 -0.033 0.000 0.290 227 V C 1.863 177.905 176.094 -0.086 0.000 1.376 227 V CA 0.671 62.923 62.300 -0.081 0.000 1.083 227 V CB 0.124 31.885 31.823 -0.104 0.000 0.911 227 V HN 0.318 nan 8.190 nan 0.000 0.433 228 K N 2.039 122.402 120.400 -0.061 0.000 2.030 228 K HA -0.260 4.040 4.320 -0.033 0.000 0.222 228 K C 2.062 178.625 176.600 -0.063 0.000 1.056 228 K CA 2.243 58.495 56.287 -0.059 0.000 0.957 228 K CB -1.449 31.033 32.500 -0.030 0.000 0.727 228 K HN 0.361 nan 8.250 nan 0.000 0.452 229 A N 0.905 123.697 122.820 -0.046 0.000 1.972 229 A HA -0.161 4.139 4.320 -0.033 0.000 0.219 229 A C 1.964 179.514 177.584 -0.056 0.000 1.169 229 A CA 1.717 53.729 52.037 -0.041 0.000 0.635 229 A CB -0.475 18.511 19.000 -0.023 0.000 0.810 229 A HN 0.396 nan 8.150 nan 0.000 0.446 230 E N -0.317 119.839 120.200 -0.072 0.000 2.107 230 E HA -0.052 4.278 4.350 -0.033 0.000 0.191 230 E C 2.080 178.606 176.600 -0.122 0.000 0.982 230 E CA 1.595 57.941 56.400 -0.089 0.000 0.809 230 E CB -0.894 28.744 29.700 -0.103 0.000 0.756 230 E HN 0.579 nan 8.360 nan 0.000 0.459 231 T N 1.068 115.537 114.554 -0.142 0.000 2.746 231 T HA -0.140 4.190 4.350 -0.033 0.000 0.267 231 T C 1.690 176.304 174.700 -0.144 0.000 1.039 231 T CA 1.429 63.429 62.100 -0.166 0.000 1.142 231 T CB -0.127 68.642 68.868 -0.165 0.000 0.866 231 T HN -0.047 nan 8.240 nan 0.000 0.444 232 K N 1.382 121.709 120.400 -0.121 0.000 2.009 232 K HA -0.023 4.277 4.320 -0.033 0.000 0.210 232 K C 2.278 178.814 176.600 -0.106 0.000 1.049 232 K CA 1.213 57.428 56.287 -0.119 0.000 0.929 232 K CB -0.182 32.278 32.500 -0.068 0.000 0.714 232 K HN 0.142 nan 8.250 nan 0.000 0.440 233 K N 0.519 120.872 120.400 -0.079 0.000 2.288 233 K HA -0.022 4.278 4.320 -0.033 0.000 0.201 233 K C 2.051 178.596 176.600 -0.091 0.000 1.048 233 K CA 0.573 56.823 56.287 -0.062 0.000 0.956 233 K CB -0.351 32.122 32.500 -0.044 0.000 0.746 233 K HN 0.199 nan 8.250 nan 0.000 0.461 234 L N 1.263 122.416 121.223 -0.117 0.000 2.056 234 L HA -0.104 4.216 4.340 -0.033 0.000 0.207 234 L C 2.372 179.138 176.870 -0.174 0.000 1.078 234 L CA 1.077 55.835 54.840 -0.138 0.000 0.749 234 L CB -0.240 41.733 42.059 -0.144 0.000 0.901 234 L HN 0.092 nan 8.230 nan 0.000 0.433 235 I N -0.904 119.562 120.570 -0.173 0.000 2.286 235 I HA -0.297 3.853 4.170 -0.033 0.000 0.248 235 I C 1.843 177.869 176.117 -0.151 0.000 1.115 235 I CA 1.818 62.997 61.300 -0.201 0.000 1.392 235 I CB -0.305 37.538 38.000 -0.260 0.000 1.065 235 I HN 0.201 nan 8.210 nan 0.000 0.418 236 D N 0.904 121.255 120.400 -0.082 0.000 2.144 236 D HA -0.087 4.533 4.640 -0.033 0.000 0.200 236 D C 2.204 178.477 176.300 -0.045 0.000 0.978 236 D CA 1.345 55.352 54.000 0.012 0.000 0.833 236 D CB -0.105 40.715 40.800 0.034 0.000 0.961 236 D HN 0.425 nan 8.370 nan 0.000 0.470 237 L N 0.212 121.374 121.223 -0.101 0.000 2.446 237 L HA -0.002 4.318 4.340 -0.033 0.000 0.219 237 L C 2.079 178.819 176.870 -0.217 0.000 1.116 237 L CA 1.095 55.862 54.840 -0.121 0.000 0.844 237 L CB -0.024 41.972 42.059 -0.106 0.000 0.970 237 L HN 0.159 nan 8.230 nan 0.000 0.457 238 T N -6.310 108.020 114.554 -0.373 0.000 3.026 238 T HA 0.033 4.363 4.350 -0.033 0.000 0.245 238 T C 0.931 175.306 174.700 -0.541 0.000 1.004 238 T CA -0.185 61.449 62.100 -0.777 0.000 1.069 238 T CB 0.442 68.298 68.868 -1.686 0.000 1.005 238 T HN 0.047 nan 8.240 nan 0.000 0.472 239 Q N 0.419 120.054 119.800 -0.275 0.000 2.506 239 Q HA -0.105 4.215 4.340 -0.033 0.000 0.268 239 Q C -1.089 175.029 176.000 0.196 0.000 1.002 239 Q CA 0.372 56.184 55.803 0.015 0.000 1.052 239 Q CB -2.535 26.259 28.738 0.094 0.000 1.383 239 Q HN 0.604 nan 8.270 nan 0.000 0.537 240 F N 0.900 120.871 119.950 0.035 0.000 2.399 240 F HA 0.377 4.884 4.527 -0.034 0.000 0.342 240 F C -1.322 174.475 175.800 -0.005 0.000 1.106 240 F CA -2.690 55.278 58.000 -0.054 0.000 1.196 240 F CB -0.250 38.638 39.000 -0.186 0.000 1.163 240 F HN -0.180 nan 8.300 nan 0.000 0.547 241 P HA 0.200 nan 4.420 nan 0.000 0.266 241 P C -1.124 176.169 177.300 -0.013 0.000 1.193 241 P CA 0.017 63.152 63.100 0.058 0.000 0.770 241 P CB 0.505 32.308 31.700 0.171 0.000 0.836 242 A N 3.083 125.754 122.820 -0.248 0.000 2.343 242 A HA 0.730 5.030 4.320 -0.033 0.000 0.308 242 A C -1.270 175.994 177.584 -0.534 0.000 1.092 242 A CA -0.372 51.550 52.037 -0.192 0.000 0.751 242 A CB 0.404 19.342 19.000 -0.103 0.000 1.203 242 A HN 0.344 nan 8.150 nan 0.000 0.452 243 F N 1.397 121.295 119.950 -0.086 0.000 2.551 243 F HA 0.624 5.131 4.527 -0.033 0.000 0.316 243 F C 0.388 176.190 175.800 0.004 0.000 1.089 243 F CA -0.668 57.264 58.000 -0.112 0.000 0.915 243 F CB 2.497 41.428 39.000 -0.115 0.000 1.186 243 F HN 0.572 nan 8.300 nan 0.000 0.456 244 V N -1.107 118.937 119.914 0.217 0.000 3.019 244 V HA 0.909 5.009 4.120 -0.033 0.000 0.317 244 V C -0.264 175.915 176.094 0.143 0.000 1.094 244 V CA -0.642 61.753 62.300 0.159 0.000 1.000 244 V CB 1.503 33.407 31.823 0.135 0.000 1.060 244 V HN 0.871 nan 8.190 nan 0.000 0.443 245 T N -0.915 113.689 114.554 0.083 0.000 2.936 245 T HA 0.618 4.948 4.350 -0.033 0.000 0.282 245 T C -1.931 172.762 174.700 -0.012 0.000 1.003 245 T CA -1.761 60.366 62.100 0.045 0.000 1.005 245 T CB 1.408 70.294 68.868 0.029 0.000 1.097 245 T HN 0.524 nan 8.240 nan 0.000 0.532 246 P HA -0.052 nan 4.420 nan 0.000 0.216 246 P C 1.744 179.001 177.300 -0.073 0.000 1.153 246 P CA 1.360 64.398 63.100 -0.103 0.000 0.858 246 P CB -0.045 31.552 31.700 -0.171 0.000 0.789 247 M N -1.691 117.877 119.600 -0.053 0.000 2.200 247 M HA -0.008 4.452 4.480 -0.033 0.000 0.265 247 M C 1.963 178.248 176.300 -0.024 0.000 1.066 247 M CA 1.886 57.167 55.300 -0.033 0.000 1.127 247 M CB -0.838 31.744 32.600 -0.029 0.000 1.379 247 M HN -0.018 nan 8.290 nan 0.000 0.420 248 G N -0.188 108.597 108.800 -0.025 0.000 2.985 248 G HA2 -0.021 3.919 3.960 -0.033 0.000 0.209 248 G HA3 -0.021 3.919 3.960 -0.033 0.000 0.209 248 G C 0.478 175.365 174.900 -0.022 0.000 1.165 248 G CA -0.270 44.813 45.100 -0.029 0.000 0.776 248 G HN 0.257 nan 8.290 nan 0.000 0.541 249 K N 0.585 120.980 120.400 -0.009 0.000 2.447 249 K HA 0.354 4.654 4.320 -0.033 0.000 0.281 249 K C 1.319 177.981 176.600 0.103 0.000 1.031 249 K CA 0.878 57.172 56.287 0.012 0.000 1.019 249 K CB 0.203 32.668 32.500 -0.058 0.000 0.918 249 K HN 0.208 nan 8.250 nan 0.000 0.476 250 G N 1.963 110.836 108.800 0.122 0.000 2.213 250 G HA2 -0.262 3.678 3.960 -0.033 0.000 0.226 250 G HA3 -0.262 3.678 3.960 -0.033 0.000 0.226 250 G C 0.911 175.754 174.900 -0.094 0.000 0.992 250 G CA 0.337 45.485 45.100 0.080 0.000 0.632 250 G HN 0.608 nan 8.290 nan 0.000 0.511 251 S N -0.148 115.499 115.700 -0.088 0.000 2.402 251 S HA 0.225 4.675 4.470 -0.033 0.000 0.229 251 S C 0.897 175.449 174.600 -0.079 0.000 1.021 251 S CA 0.940 59.080 58.200 -0.099 0.000 0.974 251 S CB 0.238 63.389 63.200 -0.081 0.000 0.800 251 S HN 0.426 nan 8.310 nan 0.000 0.484 252 I N 1.582 122.113 120.570 -0.064 0.000 2.441 252 I HA 0.332 4.482 4.170 -0.033 0.000 0.295 252 I C 0.101 176.133 176.117 -0.142 0.000 0.994 252 I CA -1.235 60.016 61.300 -0.082 0.000 1.144 252 I CB 1.272 39.268 38.000 -0.006 0.000 1.314 252 I HN -0.123 nan 8.210 nan 0.000 0.445 253 S N 5.141 120.771 115.700 -0.118 0.000 2.465 253 S HA 0.115 4.565 4.470 -0.033 0.000 0.280 253 S C 1.103 175.573 174.600 -0.217 0.000 1.232 253 S CA -0.374 57.763 58.200 -0.105 0.000 1.066 253 S CB 0.147 63.329 63.200 -0.030 0.000 0.929 253 S HN 0.480 nan 8.310 nan 0.000 0.494 254 E N 1.796 121.776 120.200 -0.366 0.000 2.511 254 E HA -0.055 4.275 4.350 -0.033 0.000 0.196 254 E C 0.823 177.229 176.600 -0.324 0.000 1.066 254 E CA 0.356 56.309 56.400 -0.745 0.000 0.871 254 E CB 0.134 29.327 29.700 -0.846 0.000 0.863 254 E HN 0.520 nan 8.360 nan 0.000 0.520 255 Q N 0.187 119.917 119.800 -0.117 0.000 2.280 255 Q HA 0.035 4.355 4.340 -0.033 0.000 0.201 255 Q C 0.114 176.111 176.000 -0.005 0.000 0.890 255 Q CA 0.143 55.924 55.803 -0.037 0.000 0.947 255 Q CB 0.143 28.860 28.738 -0.035 0.000 1.081 255 Q HN 0.344 nan 8.270 nan 0.000 0.502 256 H N 2.667 121.712 119.070 -0.042 0.000 2.886 256 H HA 0.032 4.568 4.556 -0.033 0.000 0.329 256 H C -1.471 173.881 175.328 0.040 0.000 1.044 256 H CA -1.295 54.751 56.048 -0.003 0.000 1.456 256 H CB 1.414 31.177 29.762 0.000 0.000 1.464 256 H HN -0.092 nan 8.280 nan 0.000 0.573 257 P HA -0.072 nan 4.420 nan 0.000 0.225 257 P C 0.793 178.171 177.300 0.130 0.000 1.148 257 P CA 1.045 64.164 63.100 0.033 0.000 0.779 257 P CB 0.349 32.021 31.700 -0.048 0.000 0.780 258 R N -1.943 118.730 120.500 0.288 0.000 2.509 258 R HA 0.148 4.468 4.340 -0.033 0.000 0.300 258 R C 0.011 176.325 176.300 0.023 0.000 0.985 258 R CA -0.463 55.730 56.100 0.155 0.000 1.092 258 R CB -0.268 30.134 30.300 0.169 0.000 1.237 258 R HN 0.261 nan 8.270 nan 0.000 0.546 259 Y N 0.186 120.449 120.300 -0.062 0.000 2.365 259 Y HA 0.361 4.890 4.550 -0.034 0.000 0.340 259 Y C 1.014 176.736 175.900 -0.297 0.000 1.016 259 Y CA -0.364 57.617 58.100 -0.199 0.000 1.196 259 Y CB 1.144 39.550 38.460 -0.089 0.000 1.167 259 Y HN 0.055 nan 8.280 nan 0.000 0.509 260 G N 2.974 110.990 108.800 -1.307 0.000 3.453 260 G HA2 0.483 4.423 3.960 -0.033 0.000 0.263 260 G HA3 0.483 4.423 3.960 -0.033 0.000 0.263 260 G C 0.268 174.622 174.900 -0.910 0.000 1.060 260 G CA 0.183 44.656 45.100 -1.045 0.000 0.793 260 G HN 1.328 nan 8.290 nan 0.000 0.532 261 G N -1.137 106.859 108.800 -1.340 0.000 2.316 261 G HA2 0.157 4.097 3.960 -0.033 0.000 0.349 261 G HA3 0.157 4.097 3.960 -0.033 0.000 0.349 261 G C -1.384 173.461 174.900 -0.091 0.000 1.274 261 G CA -0.351 44.472 45.100 -0.462 0.000 1.018 261 G HN 0.614 nan 8.290 nan 0.000 0.486 262 V N 1.162 121.121 119.914 0.075 0.000 2.350 262 V HA 0.521 4.621 4.120 -0.033 0.000 0.276 262 V C -0.370 175.814 176.094 0.150 0.000 1.028 262 V CA -0.469 61.892 62.300 0.101 0.000 0.860 262 V CB 0.997 32.827 31.823 0.011 0.000 0.990 262 V HN 0.823 nan 8.190 nan 0.000 0.453 263 Y N 4.748 125.078 120.300 0.049 0.000 2.320 263 Y HA 0.550 5.080 4.550 -0.034 0.000 0.334 263 Y C 0.291 176.171 175.900 -0.034 0.000 1.055 263 Y CA -0.284 57.803 58.100 -0.021 0.000 1.143 263 Y CB 1.824 40.225 38.460 -0.098 0.000 1.193 263 Y HN 0.306 nan 8.280 nan 0.000 0.477 264 V N 6.517 126.105 119.914 -0.544 0.000 3.157 264 V HA 0.486 4.586 4.120 -0.033 0.000 0.361 264 V C 0.442 176.174 176.094 -0.603 0.000 1.421 264 V CA 0.783 62.812 62.300 -0.450 0.000 1.213 264 V CB -0.334 31.362 31.823 -0.211 0.000 1.164 264 V HN 1.348 nan 8.190 nan 0.000 0.559 265 G N 1.312 109.370 108.800 -1.237 0.000 2.554 265 G HA2 -0.323 3.617 3.960 -0.033 0.000 0.253 265 G HA3 -0.323 3.617 3.960 -0.033 0.000 0.253 265 G C 0.763 175.405 174.900 -0.429 0.000 1.172 265 G CA 0.455 45.037 45.100 -0.863 0.000 0.950 265 G HN 0.444 nan 8.290 nan 0.000 0.557 266 T N 0.856 115.289 114.554 -0.200 0.000 3.055 266 T HA 0.172 4.502 4.350 -0.033 0.000 0.265 266 T C 2.078 176.724 174.700 -0.090 0.000 1.111 266 T CA 1.408 63.449 62.100 -0.097 0.000 1.118 266 T CB -0.080 68.757 68.868 -0.052 0.000 0.909 266 T HN 0.436 nan 8.240 nan 0.000 0.501 267 L N 1.328 122.480 121.223 -0.118 0.000 2.629 267 L HA 0.253 4.573 4.340 -0.033 0.000 0.230 267 L C 0.044 176.863 176.870 -0.084 0.000 1.151 267 L CA -0.102 54.693 54.840 -0.076 0.000 0.924 267 L CB 0.067 42.093 42.059 -0.055 0.000 1.137 267 L HN 0.057 nan 8.230 nan 0.000 0.457 268 S N -0.110 115.518 115.700 -0.120 0.000 2.616 268 S HA 0.250 4.700 4.470 -0.033 0.000 0.277 268 S C -0.140 174.449 174.600 -0.019 0.000 1.234 268 S CA -0.751 57.399 58.200 -0.083 0.000 1.028 268 S CB 1.274 64.414 63.200 -0.100 0.000 0.988 268 S HN 0.107 nan 8.310 nan 0.000 0.522 269 K N 2.247 122.650 120.400 0.004 0.000 2.511 269 K HA -0.058 4.242 4.320 -0.033 0.000 0.277 269 K C -1.722 174.894 176.600 0.026 0.000 1.025 269 K CA -0.756 55.542 56.287 0.017 0.000 1.112 269 K CB 0.016 32.533 32.500 0.028 0.000 0.859 269 K HN 0.313 nan 8.250 nan 0.000 0.485 270 P HA -0.281 nan 4.420 nan 0.000 0.217 270 P C 0.996 178.311 177.300 0.025 0.000 1.158 270 P CA 1.502 64.613 63.100 0.018 0.000 0.887 270 P CB 0.130 31.837 31.700 0.011 0.000 0.792 271 E N -0.474 119.745 120.200 0.032 0.000 2.347 271 E HA -0.067 4.263 4.350 -0.033 0.000 0.196 271 E C 1.791 178.425 176.600 0.056 0.000 1.008 271 E CA 0.880 57.303 56.400 0.038 0.000 0.852 271 E CB -1.248 28.477 29.700 0.041 0.000 0.783 271 E HN 0.124 nan 8.360 nan 0.000 0.505 272 V N 1.412 121.370 119.914 0.073 0.000 2.346 272 V HA -0.191 3.909 4.120 -0.033 0.000 0.244 272 V C 2.353 178.449 176.094 0.004 0.000 1.037 272 V CA 1.908 64.265 62.300 0.094 0.000 1.029 272 V CB -0.392 31.534 31.823 0.171 0.000 0.663 272 V HN 0.178 nan 8.190 nan 0.000 0.454 273 K N 0.132 120.577 120.400 0.073 0.000 1.987 273 K HA -0.286 4.014 4.320 -0.033 0.000 0.216 273 K C 2.199 178.786 176.600 -0.023 0.000 1.051 273 K CA 2.221 58.574 56.287 0.110 0.000 0.942 273 K CB -0.356 32.190 32.500 0.076 0.000 0.722 273 K HN 0.447 nan 8.250 nan 0.000 0.444 274 E N 0.277 120.463 120.200 -0.024 0.000 2.086 274 E HA -0.286 4.044 4.350 -0.033 0.000 0.200 274 E C 1.998 178.551 176.600 -0.078 0.000 1.012 274 E CA 1.486 57.862 56.400 -0.039 0.000 0.812 274 E CB -0.106 29.589 29.700 -0.009 0.000 0.743 274 E HN 0.400 nan 8.360 nan 0.000 0.453 275 A N 0.053 122.819 122.820 -0.090 0.000 1.898 275 A HA -0.128 4.172 4.320 -0.033 0.000 0.216 275 A C 2.367 179.787 177.584 -0.274 0.000 1.181 275 A CA 1.475 53.458 52.037 -0.090 0.000 0.620 275 A CB -0.447 18.608 19.000 0.091 0.000 0.819 275 A HN 0.211 nan 8.150 nan 0.000 0.442 276 V N -0.245 119.347 119.914 -0.537 0.000 2.302 276 V HA -0.205 3.895 4.120 -0.033 0.000 0.243 276 V C 2.353 178.194 176.094 -0.422 0.000 1.036 276 V CA 2.067 63.948 62.300 -0.698 0.000 1.020 276 V CB -0.904 30.190 31.823 -1.215 0.000 0.657 276 V HN 0.610 nan 8.190 nan 0.000 0.453 277 E N 0.927 120.944 120.200 -0.306 0.000 2.118 277 E HA -0.209 4.121 4.350 -0.033 0.000 0.195 277 E C 2.195 178.717 176.600 -0.130 0.000 0.992 277 E CA 1.728 58.026 56.400 -0.170 0.000 0.804 277 E CB -0.219 29.435 29.700 -0.078 0.000 0.741 277 E HN 0.717 nan 8.360 nan 0.000 0.458 278 S N 0.132 115.760 115.700 -0.120 0.000 2.603 278 S HA 0.210 4.660 4.470 -0.033 0.000 0.220 278 S C 0.807 175.354 174.600 -0.088 0.000 0.967 278 S CA -0.030 58.121 58.200 -0.082 0.000 0.920 278 S CB 0.124 63.291 63.200 -0.054 0.000 0.773 278 S HN 0.232 nan 8.310 nan 0.000 0.529 279 A N 2.363 125.106 122.820 -0.128 0.000 2.425 279 A HA 0.384 4.684 4.320 -0.033 0.000 0.242 279 A C 0.845 178.363 177.584 -0.109 0.000 1.077 279 A CA 0.088 52.049 52.037 -0.127 0.000 0.781 279 A CB 0.200 19.100 19.000 -0.167 0.000 1.020 279 A HN 0.550 nan 8.150 nan 0.000 0.494 280 D N 0.075 120.412 120.400 -0.105 0.000 2.395 280 D HA 0.229 4.849 4.640 -0.033 0.000 0.213 280 D C -0.044 176.191 176.300 -0.107 0.000 1.110 280 D CA 0.107 54.054 54.000 -0.088 0.000 0.835 280 D CB 0.254 41.015 40.800 -0.066 0.000 0.965 280 D HN 0.265 nan 8.370 nan 0.000 0.505 281 L N 0.427 121.564 121.223 -0.142 0.000 2.592 281 L HA 0.423 4.743 4.340 -0.033 0.000 0.258 281 L C -1.942 174.827 176.870 -0.170 0.000 0.926 281 L CA -0.583 54.164 54.840 -0.155 0.000 0.885 281 L CB 2.296 44.234 42.059 -0.201 0.000 1.380 281 L HN -0.166 nan 8.230 nan 0.000 0.415 282 I N 5.186 125.681 120.570 -0.125 0.000 2.499 282 I HA 0.331 4.481 4.170 -0.033 0.000 0.288 282 I C -0.949 175.144 176.117 -0.040 0.000 1.048 282 I CA -0.840 60.397 61.300 -0.105 0.000 1.062 282 I CB 2.205 40.139 38.000 -0.110 0.000 1.238 282 I HN 0.291 nan 8.210 nan 0.000 0.426 283 L N 4.994 126.220 121.223 0.005 0.000 2.264 283 L HA 0.310 4.630 4.340 -0.033 0.000 0.287 283 L C 0.433 177.381 176.870 0.130 0.000 1.039 283 L CA -0.071 54.868 54.840 0.164 0.000 0.829 283 L CB 0.669 42.859 42.059 0.218 0.000 1.211 283 L HN 0.534 nan 8.230 nan 0.000 0.427 284 S N 3.320 119.110 115.700 0.150 0.000 2.464 284 S HA 0.332 4.782 4.470 -0.033 0.000 0.313 284 S C 0.341 175.001 174.600 0.101 0.000 1.078 284 S CA -0.446 57.788 58.200 0.056 0.000 1.096 284 S CB 0.380 63.579 63.200 -0.001 0.000 1.032 284 S HN 0.341 nan 8.310 nan 0.000 0.498 285 V N 6.128 126.022 119.914 -0.033 0.000 2.847 285 V HA 0.335 4.435 4.120 -0.033 0.000 0.364 285 V C 1.396 177.420 176.094 -0.117 0.000 1.374 285 V CA 0.094 62.280 62.300 -0.191 0.000 1.542 285 V CB -0.601 31.013 31.823 -0.349 0.000 1.471 285 V HN 0.862 nan 8.190 nan 0.000 0.557 286 G N 0.259 108.999 108.800 -0.100 0.000 2.509 286 G HA2 0.792 4.732 3.960 -0.033 0.000 0.269 286 G HA3 0.792 4.732 3.960 -0.033 0.000 0.269 286 G C -0.139 174.695 174.900 -0.110 0.000 1.416 286 G CA 0.424 45.466 45.100 -0.096 0.000 1.052 286 G HN 0.770 nan 8.290 nan 0.000 0.542 287 A N -2.344 120.444 122.820 -0.054 0.000 3.281 287 A HA 0.531 4.831 4.320 -0.033 0.000 0.302 287 A C -0.870 176.759 177.584 0.076 0.000 1.115 287 A CA -0.772 51.267 52.037 0.005 0.000 0.595 287 A CB -0.489 18.480 19.000 -0.053 0.000 1.518 287 A HN 1.050 nan 8.150 nan 0.000 0.674 288 L N 1.366 122.590 121.223 0.001 0.000 3.677 288 L HA -0.141 4.179 4.340 -0.033 0.000 0.321 288 L C 0.989 177.895 176.870 0.061 0.000 0.979 288 L CA 0.217 55.063 54.840 0.011 0.000 1.067 288 L CB -0.864 41.161 42.059 -0.057 0.000 1.664 288 L HN 0.532 nan 8.230 nan 0.000 0.412 289 L N 2.243 123.526 121.223 0.101 0.000 5.992 289 L HA -0.113 4.207 4.340 -0.033 0.000 0.263 289 L C 1.268 178.180 176.870 0.068 0.000 1.599 289 L CA 0.808 55.710 54.840 0.103 0.000 0.806 289 L CB -0.870 41.257 42.059 0.113 0.000 1.433 289 L HN 0.672 nan 8.230 nan 0.000 0.360 290 S N 0.890 116.623 115.700 0.055 0.000 4.069 290 S HA 0.157 4.607 4.470 -0.033 0.000 0.192 290 S C -0.171 174.451 174.600 0.038 0.000 1.441 290 S CA -0.342 57.883 58.200 0.043 0.000 0.994 290 S CB -0.244 62.977 63.200 0.035 0.000 1.456 290 S HN 0.628 nan 8.310 nan 0.000 0.458 303 T N 0.471 114.991 114.554 -0.056 0.000 0.541 303 T HA -0.156 4.174 4.350 -0.033 0.000 0.774 303 T C 0.429 175.106 174.700 -0.038 0.000 0.992 303 T CA 1.162 63.235 62.100 -0.045 0.000 4.077 303 T CB -0.843 67.995 68.868 -0.051 0.000 2.303 303 T HN 0.298 nan 8.240 nan 0.000 0.398 304 K N 0.395 120.777 120.400 -0.030 0.000 2.305 304 K HA 0.235 4.535 4.320 -0.033 0.000 0.199 304 K C 1.172 177.757 176.600 -0.025 0.000 1.047 304 K CA 0.792 57.066 56.287 -0.022 0.000 0.976 304 K CB -0.400 32.090 32.500 -0.017 0.000 0.765 304 K HN 0.619 nan 8.250 nan 0.000 0.474 305 N N 0.960 119.638 118.700 -0.037 0.000 2.950 305 N HA 0.055 4.775 4.740 -0.033 0.000 0.313 305 N C -1.153 174.324 175.510 -0.055 0.000 1.213 305 N CA 0.092 53.114 53.050 -0.045 0.000 1.184 305 N CB -0.284 38.170 38.487 -0.055 0.000 1.454 305 N HN 0.021 nan 8.380 nan 0.000 0.532 306 I N 0.262 120.807 120.570 -0.042 0.000 2.460 306 I HA 0.287 4.437 4.170 -0.033 0.000 0.298 306 I C -0.253 175.833 176.117 -0.052 0.000 0.989 306 I CA -0.925 60.349 61.300 -0.043 0.000 1.173 306 I CB 1.862 39.846 38.000 -0.026 0.000 1.338 306 I HN -0.140 nan 8.210 nan 0.000 0.456 307 V N 5.088 124.960 119.914 -0.071 0.000 2.350 307 V HA 0.353 4.453 4.120 -0.033 0.000 0.285 307 V C -0.279 175.710 176.094 -0.177 0.000 1.014 307 V CA -0.741 61.458 62.300 -0.169 0.000 0.831 307 V CB 1.062 32.741 31.823 -0.239 0.000 1.000 307 V HN 0.669 nan 8.190 nan 0.000 0.433 308 E N 4.458 124.541 120.200 -0.194 0.000 2.146 308 E HA 0.477 4.807 4.350 -0.033 0.000 0.282 308 E C -1.323 175.038 176.600 -0.398 0.000 0.989 308 E CA -0.401 55.869 56.400 -0.218 0.000 0.799 308 E CB 1.490 31.159 29.700 -0.052 0.000 1.088 308 E HN 0.500 nan 8.360 nan 0.000 0.397 309 F N 3.021 122.720 119.950 -0.418 0.000 2.410 309 F HA 0.287 4.794 4.527 -0.034 0.000 0.349 309 F C 0.757 176.255 175.800 -0.504 0.000 1.117 309 F CA -0.285 57.512 58.000 -0.339 0.000 1.104 309 F CB 0.775 39.639 39.000 -0.226 0.000 1.122 309 F HN 0.363 nan 8.300 nan 0.000 0.483 310 H N 0.154 119.144 119.070 -0.134 0.000 2.865 310 H HA 0.182 4.719 4.556 -0.032 0.000 0.372 310 H C 0.730 175.960 175.328 -0.164 0.000 1.173 310 H CA -0.280 55.641 56.048 -0.212 0.000 1.147 310 H CB 1.953 31.461 29.762 -0.424 0.000 1.805 310 H HN 0.552 nan 8.280 nan 0.000 0.553 311 S N 0.336 115.984 115.700 -0.087 0.000 2.407 311 S HA -0.233 4.217 4.470 -0.033 0.000 0.235 311 S C 0.983 175.549 174.600 -0.057 0.000 1.036 311 S CA 2.042 60.115 58.200 -0.211 0.000 1.013 311 S CB -0.134 62.651 63.200 -0.692 0.000 0.820 311 S HN 0.822 nan 8.310 nan 0.000 0.476 312 D N 0.308 120.733 120.400 0.042 0.000 2.520 312 D HA 0.055 4.675 4.640 -0.033 0.000 0.223 312 D C 0.329 176.753 176.300 0.208 0.000 1.186 312 D CA -0.254 53.814 54.000 0.113 0.000 0.821 312 D CB -0.069 40.792 40.800 0.102 0.000 1.072 312 D HN 0.718 nan 8.370 nan 0.000 0.518 313 H N -1.680 117.438 119.070 0.080 0.000 3.003 313 H HA 0.514 5.050 4.556 -0.032 0.000 0.327 313 H C -1.578 173.845 175.328 0.158 0.000 1.353 313 H CA -0.859 55.251 56.048 0.103 0.000 1.142 313 H CB 1.085 30.880 29.762 0.056 0.000 1.864 313 H HN -0.215 nan 8.280 nan 0.000 0.529 314 M N 1.362 121.007 119.600 0.075 0.000 2.644 314 M HA 0.439 4.899 4.480 -0.033 0.000 0.304 314 M C -0.744 175.702 176.300 0.244 0.000 1.215 314 M CA -0.692 54.597 55.300 -0.019 0.000 0.871 314 M CB 2.846 35.340 32.600 -0.176 0.000 1.740 314 M HN 0.710 nan 8.290 nan 0.000 0.464 315 K N 2.214 122.695 120.400 0.136 0.000 2.578 315 K HA 0.661 4.961 4.320 -0.033 0.000 0.250 315 K C -1.941 174.731 176.600 0.120 0.000 0.955 315 K CA -0.330 56.091 56.287 0.223 0.000 0.825 315 K CB 1.614 34.243 32.500 0.216 0.000 1.151 315 K HN 0.719 nan 8.250 nan 0.000 0.432 316 I N 5.685 126.402 120.570 0.245 0.000 2.382 316 I HA 0.346 4.496 4.170 -0.033 0.000 0.285 316 I C 0.525 176.706 176.117 0.106 0.000 1.007 316 I CA -0.612 60.762 61.300 0.122 0.000 1.142 316 I CB 1.376 39.432 38.000 0.093 0.000 1.289 316 I HN 0.857 nan 8.210 nan 0.000 0.453 317 R N 3.483 124.007 120.500 0.041 0.000 3.869 317 R HA -0.334 3.986 4.340 -0.033 0.000 0.424 317 R C 0.680 177.001 176.300 0.034 0.000 0.241 317 R CA 2.205 58.320 56.100 0.026 0.000 1.351 317 R CB -0.925 29.386 30.300 0.019 0.000 0.979 317 R HN 0.671 nan 8.270 nan 0.000 0.572 318 N N 0.667 119.378 118.700 0.019 0.000 2.422 318 N HA 0.241 4.961 4.740 -0.033 0.000 0.181 318 N C -0.332 175.163 175.510 -0.026 0.000 1.080 318 N CA 0.442 53.492 53.050 0.001 0.000 0.893 318 N CB 0.521 39.001 38.487 -0.013 0.000 0.973 318 N HN 0.493 nan 8.380 nan 0.000 0.456 319 A N 1.373 124.172 122.820 -0.035 0.000 2.396 319 A HA 0.304 4.604 4.320 -0.033 0.000 0.279 319 A C 0.515 177.979 177.584 -0.199 0.000 1.165 319 A CA -0.313 51.614 52.037 -0.182 0.000 0.824 319 A CB -0.316 18.574 19.000 -0.183 0.000 1.100 319 A HN 0.240 nan 8.150 nan 0.000 0.516 320 T N -0.314 114.065 114.554 -0.292 0.000 2.902 320 T HA 0.711 5.041 4.350 -0.033 0.000 0.283 320 T C -0.726 173.757 174.700 -0.363 0.000 1.009 320 T CA -0.453 61.594 62.100 -0.089 0.000 1.051 320 T CB 0.638 69.503 68.868 -0.004 0.000 0.999 320 T HN 0.291 nan 8.240 nan 0.000 0.474 321 F N 2.612 122.602 119.950 0.067 0.000 2.434 321 F HA 0.434 4.941 4.527 -0.033 0.000 0.367 321 F C -2.501 173.349 175.800 0.082 0.000 1.093 321 F CA -2.804 55.226 58.000 0.049 0.000 1.085 321 F CB 1.204 40.221 39.000 0.029 0.000 1.322 321 F HN 0.363 nan 8.300 nan 0.000 0.452 322 P HA 0.234 nan 4.420 nan 0.000 0.271 322 P C 0.900 178.283 177.300 0.139 0.000 1.216 322 P CA 0.466 63.634 63.100 0.112 0.000 0.771 322 P CB 1.024 32.739 31.700 0.024 0.000 0.864 323 G N 1.379 110.264 108.800 0.143 0.000 2.162 323 G HA2 -0.206 3.734 3.960 -0.033 0.000 0.260 323 G HA3 -0.206 3.734 3.960 -0.033 0.000 0.260 323 G C -0.062 174.923 174.900 0.141 0.000 0.976 323 G CA -0.115 45.062 45.100 0.128 0.000 0.655 323 G HN 0.518 nan 8.290 nan 0.000 0.533 324 V N 1.919 121.928 119.914 0.159 0.000 2.320 324 V HA 0.335 4.435 4.120 -0.033 0.000 0.265 324 V C 0.605 176.766 176.094 0.112 0.000 1.048 324 V CA -0.314 62.064 62.300 0.131 0.000 0.865 324 V CB 1.118 33.005 31.823 0.108 0.000 1.043 324 V HN 0.461 nan 8.190 nan 0.000 0.474 325 Q N 5.038 124.915 119.800 0.129 0.000 2.295 325 Q HA 0.254 4.574 4.340 -0.033 0.000 0.259 325 Q C 1.387 177.409 176.000 0.037 0.000 0.976 325 Q CA -0.254 55.596 55.803 0.079 0.000 0.923 325 Q CB 1.297 30.095 28.738 0.100 0.000 1.185 325 Q HN 0.878 nan 8.270 nan 0.000 0.410 326 M N 1.028 120.638 119.600 0.018 0.000 2.267 326 M HA -0.192 4.268 4.480 -0.033 0.000 0.263 326 M C 1.576 177.856 176.300 -0.033 0.000 1.063 326 M CA 1.468 56.815 55.300 0.079 0.000 1.090 326 M CB -0.256 32.424 32.600 0.133 0.000 1.392 326 M HN 0.378 nan 8.290 nan 0.000 0.422 327 K N 1.010 121.283 120.400 -0.211 0.000 2.044 327 K HA -0.134 4.166 4.320 -0.033 0.000 0.210 327 K C 1.591 177.963 176.600 -0.380 0.000 1.049 327 K CA 1.936 57.985 56.287 -0.397 0.000 0.927 327 K CB -0.320 31.787 32.500 -0.656 0.000 0.713 327 K HN 0.472 nan 8.250 nan 0.000 0.443 328 F N 0.230 120.206 119.950 0.044 0.000 2.416 328 F HA -0.068 4.439 4.527 -0.034 0.000 0.296 328 F C 2.265 178.089 175.800 0.040 0.000 1.099 328 F CA 0.187 58.209 58.000 0.036 0.000 1.427 328 F CB -0.841 38.179 39.000 0.033 0.000 1.079 328 F HN -0.234 nan 8.300 nan 0.000 0.536 329 V N 0.486 120.503 119.914 0.172 0.000 2.261 329 V HA -0.292 3.808 4.120 -0.033 0.000 0.246 329 V C 2.462 178.638 176.094 0.137 0.000 1.047 329 V CA 1.650 64.039 62.300 0.148 0.000 1.015 329 V CB -0.919 30.982 31.823 0.129 0.000 0.642 329 V HN 0.275 nan 8.190 nan 0.000 0.446 330 L N -0.385 120.898 121.223 0.100 0.000 1.971 330 L HA -0.309 4.011 4.340 -0.033 0.000 0.215 330 L C 2.838 179.717 176.870 0.014 0.000 1.072 330 L CA 2.080 56.923 54.840 0.006 0.000 0.758 330 L CB -0.802 41.185 42.059 -0.120 0.000 0.889 330 L HN 0.377 nan 8.230 nan 0.000 0.433 331 Q N -0.037 119.780 119.800 0.029 0.000 2.096 331 Q HA -0.292 4.028 4.340 -0.033 0.000 0.208 331 Q C 2.227 178.263 176.000 0.060 0.000 0.993 331 Q CA 1.928 57.762 55.803 0.051 0.000 0.862 331 Q CB -0.218 28.585 28.738 0.109 0.000 0.915 331 Q HN 0.486 nan 8.270 nan 0.000 0.416 332 K N 0.387 120.837 120.400 0.083 0.000 2.148 332 K HA -0.067 4.233 4.320 -0.033 0.000 0.204 332 K C 2.059 178.688 176.600 0.048 0.000 1.050 332 K CA 0.755 57.083 56.287 0.068 0.000 0.942 332 K CB -0.038 32.515 32.500 0.089 0.000 0.724 332 K HN 0.155 nan 8.250 nan 0.000 0.446 333 L N 0.917 122.171 121.223 0.053 0.000 2.141 333 L HA -0.161 4.159 4.340 -0.033 0.000 0.209 333 L C 2.055 178.937 176.870 0.019 0.000 1.094 333 L CA 0.961 55.828 54.840 0.045 0.000 0.763 333 L CB -0.301 41.799 42.059 0.069 0.000 0.908 333 L HN 0.190 nan 8.230 nan 0.000 0.437 334 L N -0.736 120.492 121.223 0.007 0.000 2.191 334 L HA -0.162 4.158 4.340 -0.033 0.000 0.212 334 L C 2.629 179.497 176.870 -0.003 0.000 1.103 334 L CA 1.569 56.403 54.840 -0.009 0.000 0.769 334 L CB -1.072 40.977 42.059 -0.015 0.000 0.908 334 L HN 0.428 nan 8.230 nan 0.000 0.438 335 T N -2.763 111.797 114.554 0.009 0.000 3.055 335 T HA -0.032 4.298 4.350 -0.033 0.000 0.265 335 T C 1.272 175.977 174.700 0.008 0.000 1.111 335 T CA 1.146 63.252 62.100 0.010 0.000 1.118 335 T CB -0.208 68.670 68.868 0.016 0.000 0.909 335 T HN 0.494 nan 8.240 nan 0.000 0.501 336 N N -0.269 118.437 118.700 0.010 0.000 2.211 336 N HA 0.267 4.987 4.740 -0.033 0.000 0.216 336 N C 1.442 176.958 175.510 0.010 0.000 1.240 336 N CA -0.264 52.793 53.050 0.011 0.000 0.895 336 N CB -0.566 37.931 38.487 0.016 0.000 1.102 336 N HN 0.334 nan 8.380 nan 0.000 0.498 337 I N 1.013 121.586 120.570 0.006 0.000 2.208 337 I HA -0.233 3.917 4.170 -0.033 0.000 0.245 337 I C 2.083 178.190 176.117 -0.017 0.000 1.097 337 I CA 1.430 62.731 61.300 0.002 0.000 1.363 337 I CB -0.085 37.915 38.000 -0.000 0.000 1.051 337 I HN 0.258 nan 8.210 nan 0.000 0.413 338 A N -0.250 122.549 122.820 -0.036 0.000 1.978 338 A HA -0.303 3.997 4.320 -0.033 0.000 0.220 338 A C 2.134 179.715 177.584 -0.005 0.000 1.170 338 A CA 2.094 54.105 52.037 -0.042 0.000 0.636 338 A CB -0.768 18.210 19.000 -0.035 0.000 0.810 338 A HN 0.594 nan 8.150 nan 0.000 0.448 339 D N 0.031 120.434 120.400 0.005 0.000 2.084 339 D HA -0.084 4.536 4.640 -0.033 0.000 0.196 339 D C 2.134 178.454 176.300 0.033 0.000 0.985 339 D CA 1.374 55.384 54.000 0.018 0.000 0.826 339 D CB -0.095 40.714 40.800 0.014 0.000 0.978 339 D HN 0.327 nan 8.370 nan 0.000 0.456 340 A N 0.658 123.500 122.820 0.037 0.000 2.024 340 A HA -0.017 4.283 4.320 -0.033 0.000 0.220 340 A C 2.121 179.755 177.584 0.084 0.000 1.164 340 A CA 1.992 54.062 52.037 0.054 0.000 0.643 340 A CB -0.375 18.658 19.000 0.055 0.000 0.806 340 A HN 0.348 nan 8.150 nan 0.000 0.451 341 A N -0.283 122.587 122.820 0.083 0.000 2.303 341 A HA 0.266 4.566 4.320 -0.033 0.000 0.217 341 A C 0.842 178.503 177.584 0.128 0.000 1.205 341 A CA 0.368 52.486 52.037 0.135 0.000 0.875 341 A CB -0.208 18.840 19.000 0.081 0.000 0.910 341 A HN 0.439 nan 8.150 nan 0.000 0.501 342 K N 0.349 120.796 120.400 0.078 0.000 2.062 342 K HA 0.431 4.731 4.320 -0.033 0.000 0.251 342 K C 0.562 177.209 176.600 0.078 0.000 1.113 342 K CA 0.689 57.016 56.287 0.066 0.000 1.096 342 K CB -0.826 31.697 32.500 0.039 0.000 1.099 342 K HN 0.494 nan 8.250 nan 0.000 0.350 343 G N 1.408 110.272 108.800 0.106 0.000 3.800 343 G HA2 -0.144 3.796 3.960 -0.033 0.000 0.221 343 G HA3 -0.144 3.796 3.960 -0.033 0.000 0.221 343 G C -1.317 173.677 174.900 0.157 0.000 0.893 343 G CA -0.657 44.502 45.100 0.099 0.000 0.986 343 G HN 0.559 nan 8.290 nan 0.000 0.719 344 Y N 1.896 122.241 120.300 0.076 0.000 2.326 344 Y HA 0.743 5.273 4.550 -0.033 0.000 0.337 344 Y C -0.089 175.859 175.900 0.080 0.000 1.023 344 Y CA -1.736 56.432 58.100 0.113 0.000 1.143 344 Y CB 1.485 40.084 38.460 0.231 0.000 1.183 344 Y HN 0.001 nan 8.280 nan 0.000 0.485 345 K N 8.651 128.739 120.400 -0.520 0.000 2.263 345 K HA 0.489 4.789 4.320 -0.033 0.000 0.272 345 K C -3.072 172.944 176.600 -0.973 0.000 1.033 345 K CA -2.738 53.244 56.287 -0.509 0.000 0.884 345 K CB 0.886 33.247 32.500 -0.232 0.000 1.107 345 K HN 0.394 nan 8.250 nan 0.000 0.460 346 P HA -0.036 nan 4.420 nan 0.000 0.261 346 P C -0.717 176.478 177.300 -0.175 0.000 1.203 346 P CA -0.214 62.598 63.100 -0.479 0.000 0.767 346 P CB 0.617 32.230 31.700 -0.144 0.000 0.785 347 V N 3.627 123.530 119.914 -0.019 0.000 2.811 347 V HA 0.260 4.360 4.120 -0.033 0.000 0.302 347 V C 0.837 176.969 176.094 0.065 0.000 1.063 347 V CA -0.343 61.990 62.300 0.054 0.000 1.088 347 V CB 0.789 32.702 31.823 0.149 0.000 0.982 347 V HN 0.609 nan 8.190 nan 0.000 0.485 348 A N 4.697 127.542 122.820 0.042 0.000 2.454 348 A HA 0.430 4.730 4.320 -0.033 0.000 0.260 348 A C -0.109 177.507 177.584 0.054 0.000 1.106 348 A CA -0.029 52.029 52.037 0.036 0.000 0.780 348 A CB 0.257 19.272 19.000 0.024 0.000 1.044 348 A HN 0.652 nan 8.150 nan 0.000 0.498 349 V N 5.094 125.030 119.914 0.038 0.000 2.775 349 V HA 0.231 4.331 4.120 -0.033 0.000 0.299 349 V C -1.761 174.338 176.094 0.009 0.000 1.062 349 V CA -1.169 61.137 62.300 0.009 0.000 1.063 349 V CB 1.113 32.918 31.823 -0.030 0.000 0.994 349 V HN 0.871 nan 8.190 nan 0.000 0.483 350 P HA 0.241 nan 4.420 nan 0.000 0.268 350 P C -0.662 176.633 177.300 -0.007 0.000 1.205 350 P CA -0.113 63.005 63.100 0.030 0.000 0.771 350 P CB 0.442 32.193 31.700 0.085 0.000 0.858 351 A N 3.652 126.477 122.820 0.008 0.000 2.498 351 A HA 0.101 4.401 4.320 -0.033 0.000 0.239 351 A C 0.559 178.148 177.584 0.008 0.000 1.068 351 A CA -0.034 52.008 52.037 0.008 0.000 0.766 351 A CB -0.164 18.843 19.000 0.012 0.000 1.003 351 A HN 0.498 nan 8.150 nan 0.000 0.497 352 R N 0.673 121.183 120.500 0.016 0.000 2.641 352 R HA 0.236 4.556 4.340 -0.033 0.000 0.269 352 R C 0.026 176.335 176.300 0.015 0.000 1.074 352 R CA 0.085 56.201 56.100 0.026 0.000 1.133 352 R CB 0.433 30.755 30.300 0.037 0.000 1.029 352 R HN 0.768 nan 8.270 nan 0.000 0.488 353 T N 5.002 119.563 114.554 0.012 0.000 2.901 353 T HA 0.131 4.461 4.350 -0.033 0.000 0.301 353 T C -1.844 172.854 174.700 -0.003 0.000 1.012 353 T CA -0.862 61.240 62.100 0.004 0.000 1.135 353 T CB 0.655 69.522 68.868 -0.002 0.000 0.936 353 T HN 0.456 nan 8.240 nan 0.000 0.539 354 P HA 0.375 nan 4.420 nan 0.000 0.274 354 P C -0.516 176.771 177.300 -0.022 0.000 1.231 354 P CA -0.630 62.466 63.100 -0.006 0.000 0.790 354 P CB 0.530 32.231 31.700 0.002 0.000 0.951 355 A N 3.303 126.107 122.820 -0.026 0.000 2.547 355 A HA 0.034 4.335 4.320 -0.033 0.000 0.233 355 A C 0.648 178.201 177.584 -0.051 0.000 1.067 355 A CA -0.095 51.911 52.037 -0.052 0.000 0.763 355 A CB -0.522 18.459 19.000 -0.031 0.000 1.007 355 A HN 0.632 nan 8.150 nan 0.000 0.506 356 N N 0.404 119.043 118.700 -0.100 0.000 2.508 356 N HA 0.365 5.085 4.740 -0.033 0.000 0.264 356 N C 0.149 175.692 175.510 0.055 0.000 1.216 356 N CA 0.596 53.623 53.050 -0.039 0.000 0.943 356 N CB 0.863 39.268 38.487 -0.136 0.000 1.113 356 N HN 0.790 nan 8.380 nan 0.000 0.447 357 A N 0.897 123.775 122.820 0.097 0.000 2.440 357 A HA 0.484 4.784 4.320 -0.033 0.000 0.251 357 A C 0.511 178.180 177.584 0.142 0.000 1.089 357 A CA -0.603 51.490 52.037 0.094 0.000 0.779 357 A CB -0.045 19.004 19.000 0.081 0.000 1.022 357 A HN 0.756 nan 8.150 nan 0.000 0.492 358 A N 1.767 124.657 122.820 0.117 0.000 2.540 358 A HA 0.467 4.767 4.320 -0.033 0.000 0.239 358 A C 0.448 178.091 177.584 0.098 0.000 1.061 358 A CA 0.592 52.705 52.037 0.126 0.000 0.758 358 A CB -0.558 18.494 19.000 0.088 0.000 0.991 358 A HN 2.077 nan 8.150 nan 0.000 0.502 359 V N 0.060 120.028 119.914 0.090 0.000 3.102 359 V HA 0.764 4.864 4.120 -0.033 0.000 0.312 359 V C -2.745 173.345 176.094 -0.007 0.000 1.135 359 V CA -2.403 59.907 62.300 0.016 0.000 1.022 359 V CB 1.163 32.966 31.823 -0.034 0.000 1.056 359 V HN 0.746 nan 8.190 nan 0.000 0.436 360 P HA 0.307 nan 4.420 nan 0.000 0.268 360 P C 0.934 178.201 177.300 -0.055 0.000 1.205 360 P CA 0.388 63.472 63.100 -0.028 0.000 0.771 360 P CB 0.935 32.616 31.700 -0.031 0.000 0.858 361 A N 2.806 125.605 122.820 -0.034 0.000 1.971 361 A HA -0.252 4.048 4.320 -0.033 0.000 0.222 361 A C 2.071 179.613 177.584 -0.070 0.000 1.182 361 A CA 2.499 54.513 52.037 -0.038 0.000 0.649 361 A CB -1.555 17.438 19.000 -0.013 0.000 0.818 361 A HN 0.655 nan 8.150 nan 0.000 0.458 362 S N -0.776 114.884 115.700 -0.066 0.000 2.607 362 S HA 0.045 4.495 4.470 -0.033 0.000 0.224 362 S C 0.605 175.146 174.600 -0.098 0.000 0.969 362 S CA 0.653 58.812 58.200 -0.068 0.000 0.927 362 S CB -0.966 62.206 63.200 -0.046 0.000 0.772 362 S HN 0.440 nan 8.310 nan 0.000 0.533 363 T N 5.332 119.799 114.554 -0.144 0.000 2.834 363 T HA 0.307 4.637 4.350 -0.033 0.000 0.298 363 T C -2.619 171.949 174.700 -0.221 0.000 0.966 363 T CA -1.141 60.848 62.100 -0.185 0.000 1.141 363 T CB 0.677 69.389 68.868 -0.261 0.000 0.905 363 T HN 0.266 nan 8.240 nan 0.000 0.535 364 P HA 0.080 nan 4.420 nan 0.000 0.267 364 P C 0.024 177.199 177.300 -0.209 0.000 1.200 364 P CA -0.265 62.751 63.100 -0.139 0.000 0.772 364 P CB 0.525 32.173 31.700 -0.087 0.000 0.855 365 L N 2.950 124.071 121.223 -0.171 0.000 2.439 365 L HA 0.194 4.514 4.340 -0.033 0.000 0.269 365 L C 1.007 177.805 176.870 -0.121 0.000 1.179 365 L CA 0.207 54.925 54.840 -0.203 0.000 0.828 365 L CB 0.189 42.179 42.059 -0.115 0.000 1.106 365 L HN 0.246 nan 8.230 nan 0.000 0.467 366 K N 2.253 122.589 120.400 -0.106 0.000 2.371 366 K HA 0.257 4.557 4.320 -0.033 0.000 0.251 366 K C 0.331 176.924 176.600 -0.012 0.000 0.934 366 K CA -0.679 55.593 56.287 -0.025 0.000 0.798 366 K CB 1.975 34.480 32.500 0.008 0.000 1.204 366 K HN 0.470 nan 8.250 nan 0.000 0.427 367 Q N 0.648 120.456 119.800 0.014 0.000 2.112 367 Q HA -0.235 4.085 4.340 -0.033 0.000 0.206 367 Q C 1.041 177.081 176.000 0.066 0.000 0.987 367 Q CA 1.772 57.587 55.803 0.019 0.000 0.858 367 Q CB 0.187 29.068 28.738 0.239 0.000 0.905 367 Q HN 0.471 nan 8.270 nan 0.000 0.420 368 E N 0.152 120.432 120.200 0.133 0.000 2.077 368 E HA -0.190 4.140 4.350 -0.033 0.000 0.193 368 E C 1.405 178.059 176.600 0.090 0.000 0.989 368 E CA 1.294 57.776 56.400 0.137 0.000 0.800 368 E CB -0.367 29.399 29.700 0.110 0.000 0.746 368 E HN 0.489 nan 8.360 nan 0.000 0.452 369 W N -0.074 121.150 121.300 -0.127 0.000 2.418 369 W HA -0.049 4.591 4.660 -0.033 0.000 0.292 369 W C 2.158 178.486 176.519 -0.319 0.000 1.213 369 W CA 1.400 58.641 57.345 -0.173 0.000 1.283 369 W CB -0.214 29.149 29.460 -0.162 0.000 1.119 369 W HN 0.059 nan 8.180 nan 0.000 0.542 370 M N -0.321 119.198 119.600 -0.135 0.000 2.086 370 M HA -0.203 4.257 4.480 -0.033 0.000 0.261 370 M C 1.725 177.525 176.300 -0.834 0.000 1.067 370 M CA 2.405 57.281 55.300 -0.707 0.000 1.116 370 M CB -0.743 31.334 32.600 -0.871 0.000 1.348 370 M HN 0.191 nan 8.290 nan 0.000 0.407 371 W N 0.192 121.293 121.300 -0.333 0.000 2.425 371 W HA -0.137 4.503 4.660 -0.033 0.000 0.277 371 W C 2.205 178.569 176.519 -0.258 0.000 1.231 371 W CA 0.574 57.745 57.345 -0.291 0.000 1.248 371 W CB -0.808 28.521 29.460 -0.218 0.000 1.117 371 W HN 0.365 nan 8.180 nan 0.000 0.568 372 N N 0.993 119.616 118.700 -0.128 0.000 2.062 372 N HA -0.214 4.506 4.740 -0.033 0.000 0.191 372 N C 1.722 177.073 175.510 -0.265 0.000 1.042 372 N CA 1.774 54.718 53.050 -0.177 0.000 0.845 372 N CB -0.592 37.771 38.487 -0.206 0.000 1.024 372 N HN 0.091 nan 8.380 nan 0.000 0.424 373 Q N -0.082 119.403 119.800 -0.524 0.000 2.291 373 Q HA -0.018 4.302 4.340 -0.033 0.000 0.206 373 Q C 1.878 177.796 176.000 -0.136 0.000 0.976 373 Q CA 0.687 56.173 55.803 -0.529 0.000 0.875 373 Q CB -0.395 27.581 28.738 -1.269 0.000 0.927 373 Q HN 0.406 nan 8.270 nan 0.000 0.450 374 L N -0.575 120.609 121.223 -0.064 0.000 2.083 374 L HA 0.007 4.327 4.340 -0.033 0.000 0.209 374 L C 1.966 178.980 176.870 0.241 0.000 1.083 374 L CA 2.257 57.239 54.840 0.236 0.000 0.752 374 L CB -1.119 41.012 42.059 0.120 0.000 0.899 374 L HN 0.269 nan 8.230 nan 0.000 0.433 375 G N -0.497 108.375 108.800 0.121 0.000 2.507 375 G HA2 -0.375 3.565 3.960 -0.033 0.000 0.221 375 G HA3 -0.375 3.565 3.960 -0.033 0.000 0.221 375 G C 1.326 176.287 174.900 0.101 0.000 1.119 375 G CA 1.341 46.506 45.100 0.108 0.000 0.751 375 G HN 0.674 nan 8.290 nan 0.000 0.574 376 N N -0.717 118.052 118.700 0.116 0.000 2.354 376 N HA 0.021 4.741 4.740 -0.033 0.000 0.179 376 N C 1.723 177.349 175.510 0.193 0.000 1.021 376 N CA 0.704 53.829 53.050 0.125 0.000 0.887 376 N CB -0.124 38.431 38.487 0.114 0.000 0.974 376 N HN 0.422 nan 8.380 nan 0.000 0.437 377 F N 1.970 121.980 119.950 0.101 0.000 2.473 377 F HA 0.269 4.776 4.527 -0.034 0.000 0.294 377 F C 0.440 176.266 175.800 0.042 0.000 1.103 377 F CA -0.169 57.877 58.000 0.077 0.000 1.442 377 F CB -0.092 38.967 39.000 0.098 0.000 1.097 377 F HN -0.195 nan 8.300 nan 0.000 0.547 378 L N 3.199 124.311 121.223 -0.185 0.000 2.490 378 L HA 0.094 4.414 4.340 -0.033 0.000 0.274 378 L C 0.105 176.844 176.870 -0.219 0.000 1.201 378 L CA 0.312 54.990 54.840 -0.271 0.000 0.869 378 L CB 0.456 42.494 42.059 -0.035 0.000 1.123 378 L HN 0.364 nan 8.230 nan 0.000 0.484 379 Q N 2.414 122.054 119.800 -0.267 0.000 2.484 379 Q HA 0.387 4.707 4.340 -0.033 0.000 0.285 379 Q C -0.947 174.965 176.000 -0.147 0.000 1.097 379 Q CA -0.987 54.710 55.803 -0.177 0.000 0.802 379 Q CB 1.869 30.500 28.738 -0.180 0.000 1.444 379 Q HN 0.514 nan 8.270 nan 0.000 0.429 380 E N -0.305 119.835 120.200 -0.101 0.000 2.366 380 E HA 0.277 4.607 4.350 -0.033 0.000 0.266 380 E C 0.337 176.891 176.600 -0.077 0.000 1.015 380 E CA 1.450 57.803 56.400 -0.079 0.000 0.906 380 E CB 0.017 29.684 29.700 -0.054 0.000 0.979 380 E HN 0.886 nan 8.360 nan 0.000 0.443 381 G N 3.736 112.493 108.800 -0.071 0.000 2.143 381 G HA2 -0.219 3.721 3.960 -0.033 0.000 0.249 381 G HA3 -0.219 3.721 3.960 -0.033 0.000 0.249 381 G C -0.191 174.670 174.900 -0.066 0.000 0.981 381 G CA 0.093 45.161 45.100 -0.052 0.000 0.665 381 G HN 0.606 nan 8.290 nan 0.000 0.528 382 D N -0.563 119.773 120.400 -0.108 0.000 2.358 382 D HA 0.485 5.105 4.640 -0.033 0.000 0.244 382 D C 0.533 176.781 176.300 -0.086 0.000 1.163 382 D CA -0.031 53.899 54.000 -0.117 0.000 0.945 382 D CB 1.646 42.333 40.800 -0.188 0.000 1.152 382 D HN 0.106 nan 8.370 nan 0.000 0.451 383 V N 1.893 121.779 119.914 -0.047 0.000 2.334 383 V HA 0.237 4.337 4.120 -0.033 0.000 0.281 383 V C -0.036 176.067 176.094 0.016 0.000 1.016 383 V CA -0.668 61.634 62.300 0.003 0.000 0.832 383 V CB 1.507 33.329 31.823 -0.001 0.000 0.999 383 V HN 0.201 nan 8.190 nan 0.000 0.439 384 V N 6.848 126.762 119.914 -0.001 0.000 2.398 384 V HA 0.532 4.633 4.120 -0.033 0.000 0.286 384 V C -0.117 176.081 176.094 0.173 0.000 1.026 384 V CA -0.396 61.954 62.300 0.084 0.000 0.868 384 V CB 1.746 33.557 31.823 -0.019 0.000 0.982 384 V HN 0.661 nan 8.190 nan 0.000 0.443 385 I N 4.022 124.728 120.570 0.226 0.000 2.406 385 I HA 0.792 4.942 4.170 -0.033 0.000 0.290 385 I C 0.032 176.340 176.117 0.318 0.000 0.999 385 I CA -0.655 60.774 61.300 0.216 0.000 1.124 385 I CB 1.913 39.983 38.000 0.116 0.000 1.289 385 I HN 0.645 nan 8.210 nan 0.000 0.441 386 A N 4.744 127.734 122.820 0.283 0.000 2.335 386 A HA 0.600 4.900 4.320 -0.033 0.000 0.304 386 A C -0.591 177.113 177.584 0.201 0.000 1.118 386 A CA -0.535 51.676 52.037 0.290 0.000 0.757 386 A CB 1.408 20.510 19.000 0.169 0.000 1.188 386 A HN 0.699 nan 8.150 nan 0.000 0.460 387 E N 1.452 121.781 120.200 0.214 0.000 2.373 387 E HA 0.394 4.724 4.350 -0.033 0.000 0.263 387 E C 0.058 176.727 176.600 0.116 0.000 1.073 387 E CA 0.151 56.650 56.400 0.165 0.000 0.894 387 E CB 0.582 30.375 29.700 0.155 0.000 1.008 387 E HN 0.542 nan 8.360 nan 0.000 0.420 388 T N 2.912 117.519 114.554 0.088 0.000 2.831 388 T HA 0.461 4.791 4.350 -0.033 0.000 0.291 388 T C 0.289 175.033 174.700 0.074 0.000 0.981 388 T CA 0.856 62.989 62.100 0.055 0.000 1.174 388 T CB -0.101 68.778 68.868 0.018 0.000 0.929 388 T HN 0.690 nan 8.240 nan 0.000 0.532 389 G N 2.699 111.567 108.800 0.113 0.000 2.347 389 G HA2 0.068 4.008 3.960 -0.033 0.000 0.224 389 G HA3 0.068 4.008 3.960 -0.033 0.000 0.224 389 G C 0.966 175.979 174.900 0.188 0.000 1.318 389 G CA 0.263 45.440 45.100 0.129 0.000 1.016 389 G HN 0.685 nan 8.290 nan 0.000 0.469 390 T N -1.315 113.337 114.554 0.163 0.000 2.821 390 T HA -0.008 4.322 4.350 -0.033 0.000 0.267 390 T C 2.368 177.107 174.700 0.065 0.000 1.046 390 T CA 2.743 64.937 62.100 0.156 0.000 1.139 390 T CB -0.489 68.485 68.868 0.177 0.000 0.871 390 T HN 0.624 nan 8.240 nan 0.000 0.454 391 S N 1.890 117.640 115.700 0.083 0.000 2.365 391 S HA -0.005 4.445 4.470 -0.033 0.000 0.225 391 S C 2.561 176.957 174.600 -0.339 0.000 1.039 391 S CA 1.261 59.389 58.200 -0.120 0.000 1.033 391 S CB -0.911 62.436 63.200 0.244 0.000 0.887 391 S HN 0.814 nan 8.310 nan 0.000 0.447 392 A N -0.109 122.634 122.820 -0.128 0.000 2.067 392 A HA 0.059 4.359 4.320 -0.033 0.000 0.219 392 A C 1.765 179.111 177.584 -0.397 0.000 1.158 392 A CA 0.963 52.873 52.037 -0.213 0.000 0.661 392 A CB -0.582 18.332 19.000 -0.144 0.000 0.801 392 A HN 0.454 nan 8.150 nan 0.000 0.452 393 F N -0.025 119.750 119.950 -0.292 0.000 2.074 393 F HA 0.103 4.610 4.527 -0.034 0.000 0.290 393 F C 2.689 178.202 175.800 -0.478 0.000 1.118 393 F CA 1.443 59.268 58.000 -0.291 0.000 1.199 393 F CB -0.935 37.951 39.000 -0.189 0.000 1.012 393 F HN 0.263 nan 8.300 nan 0.000 0.472 394 G N -0.051 108.363 108.800 -0.643 0.000 2.442 394 G HA2 -0.298 3.642 3.960 -0.033 0.000 0.219 394 G HA3 -0.298 3.642 3.960 -0.033 0.000 0.219 394 G C 1.666 175.865 174.900 -1.169 0.000 1.141 394 G CA 1.026 45.313 45.100 -1.355 0.000 0.763 394 G HN 0.276 nan 8.290 nan 0.000 0.554 395 I N 1.744 121.669 120.570 -1.074 0.000 2.315 395 I HA -0.181 3.969 4.170 -0.033 0.000 0.251 395 I C 2.050 177.955 176.117 -0.352 0.000 1.125 395 I CA 0.969 61.956 61.300 -0.521 0.000 1.392 395 I CB -0.240 37.583 38.000 -0.295 0.000 1.065 395 I HN 0.088 nan 8.210 nan 0.000 0.424 396 N N 0.342 118.835 118.700 -0.345 0.000 2.443 396 N HA -0.162 4.558 4.740 -0.033 0.000 0.184 396 N C 1.286 176.672 175.510 -0.206 0.000 1.037 396 N CA 0.898 53.786 53.050 -0.270 0.000 0.896 396 N CB -0.181 38.168 38.487 -0.231 0.000 0.959 396 N HN 0.635 nan 8.380 nan 0.000 0.442 397 Q N -0.335 119.358 119.800 -0.178 0.000 2.319 397 Q HA 0.121 4.441 4.340 -0.033 0.000 0.202 397 Q C -0.168 175.794 176.000 -0.063 0.000 0.896 397 Q CA 0.246 55.998 55.803 -0.084 0.000 0.942 397 Q CB 0.444 29.164 28.738 -0.029 0.000 1.083 397 Q HN 0.080 nan 8.270 nan 0.000 0.510 398 T N 1.702 116.186 114.554 -0.116 0.000 2.806 398 T HA 0.228 4.558 4.350 -0.033 0.000 0.290 398 T C -0.001 174.601 174.700 -0.164 0.000 0.966 398 T CA -0.232 61.828 62.100 -0.066 0.000 1.060 398 T CB 1.492 70.401 68.868 0.068 0.000 0.927 398 T HN -0.055 nan 8.240 nan 0.000 0.485 399 T N 4.560 119.086 114.554 -0.047 0.000 2.743 399 T HA 0.430 4.760 4.350 -0.033 0.000 0.293 399 T C -0.316 174.436 174.700 0.087 0.000 0.945 399 T CA -0.441 61.635 62.100 -0.041 0.000 1.030 399 T CB -0.096 68.771 68.868 -0.001 0.000 0.912 399 T HN 0.246 nan 8.240 nan 0.000 0.483 400 F N 3.791 123.697 119.950 -0.073 0.000 2.379 400 F HA 0.458 4.965 4.527 -0.034 0.000 0.332 400 F C -1.888 173.848 175.800 -0.106 0.000 1.096 400 F CA -3.096 54.855 58.000 -0.081 0.000 1.105 400 F CB 0.271 39.214 39.000 -0.095 0.000 1.189 400 F HN 0.327 nan 8.300 nan 0.000 0.515 401 P HA 0.091 nan 4.420 nan 0.000 0.274 401 P C -0.640 176.652 177.300 -0.012 0.000 1.260 401 P CA -0.375 62.728 63.100 0.005 0.000 0.793 401 P CB 0.528 32.208 31.700 -0.033 0.000 1.048 402 N N 0.596 119.278 118.700 -0.031 0.000 2.482 402 N HA 0.081 4.801 4.740 -0.033 0.000 0.260 402 N C -0.087 175.397 175.510 -0.042 0.000 1.236 402 N CA 0.318 53.347 53.050 -0.036 0.000 0.938 402 N CB -0.976 37.496 38.487 -0.025 0.000 1.128 402 N HN 0.371 nan 8.380 nan 0.000 0.448 403 N N -1.218 117.458 118.700 -0.041 0.000 2.738 403 N HA -0.174 4.546 4.740 -0.033 0.000 0.249 403 N C -1.346 174.129 175.510 -0.058 0.000 1.047 403 N CA 0.806 53.834 53.050 -0.037 0.000 0.707 403 N CB -0.799 37.673 38.487 -0.024 0.000 0.937 403 N HN 0.428 nan 8.380 nan 0.000 0.545 404 T N 0.667 115.159 114.554 -0.102 0.000 2.794 404 T HA 0.278 4.608 4.350 -0.033 0.000 0.280 404 T C -0.611 173.976 174.700 -0.189 0.000 0.987 404 T CA -0.268 61.706 62.100 -0.210 0.000 0.993 404 T CB 0.976 69.575 68.868 -0.448 0.000 0.939 404 T HN 0.170 nan 8.240 nan 0.000 0.449 405 Y N 2.107 122.278 120.300 -0.215 0.000 2.335 405 Y HA 0.562 5.092 4.550 -0.034 0.000 0.339 405 Y C 0.467 176.274 175.900 -0.155 0.000 0.987 405 Y CA -0.468 57.552 58.100 -0.133 0.000 1.140 405 Y CB 0.770 39.180 38.460 -0.083 0.000 1.173 405 Y HN 0.789 nan 8.280 nan 0.000 0.486 406 G N 6.071 114.781 108.800 -0.150 0.000 2.400 406 G HA2 0.634 4.574 3.960 -0.033 0.000 0.333 406 G HA3 0.634 4.574 3.960 -0.033 0.000 0.333 406 G C -1.444 173.561 174.900 0.175 0.000 1.143 406 G CA -0.759 44.375 45.100 0.056 0.000 0.914 406 G HN 0.640 nan 8.290 nan 0.000 0.480 407 I N 0.978 121.687 120.570 0.231 0.000 2.478 407 I HA 0.454 4.604 4.170 -0.033 0.000 0.287 407 I C -0.388 175.866 176.117 0.228 0.000 1.042 407 I CA -0.613 60.844 61.300 0.261 0.000 1.067 407 I CB 2.285 40.452 38.000 0.279 0.000 1.233 407 I HN 0.441 nan 8.210 nan 0.000 0.431 408 S N 5.024 120.837 115.700 0.188 0.000 2.689 408 S HA 0.163 4.613 4.470 -0.033 0.000 0.274 408 S C -0.453 174.191 174.600 0.073 0.000 1.176 408 S CA -0.521 57.756 58.200 0.128 0.000 1.014 408 S CB 1.430 64.657 63.200 0.044 0.000 1.071 408 S HN 0.696 nan 8.310 nan 0.000 0.478 409 Q N 4.670 124.501 119.800 0.052 0.000 3.047 409 Q HA 0.114 4.434 4.340 -0.033 0.000 0.273 409 Q C 1.118 177.084 176.000 -0.057 0.000 1.243 409 Q CA -0.124 55.617 55.803 -0.105 0.000 0.929 409 Q CB -0.404 28.057 28.738 -0.460 0.000 1.721 409 Q HN 0.779 nan 8.270 nan 0.000 0.471 410 V N 0.771 120.658 119.914 -0.045 0.000 2.380 410 V HA -0.319 3.781 4.120 -0.033 0.000 0.251 410 V C 1.894 177.968 176.094 -0.033 0.000 1.063 410 V CA 1.794 64.054 62.300 -0.067 0.000 1.055 410 V CB -0.624 31.142 31.823 -0.095 0.000 0.657 410 V HN 0.625 nan 8.190 nan 0.000 0.455 411 L N -1.382 119.850 121.223 0.015 0.000 2.130 411 L HA -0.016 4.304 4.340 -0.033 0.000 0.200 411 L C 2.324 179.275 176.870 0.135 0.000 1.075 411 L CA 1.410 56.291 54.840 0.069 0.000 0.768 411 L CB -0.175 41.942 42.059 0.097 0.000 0.933 411 L HN 0.496 nan 8.230 nan 0.000 0.451 412 W N 1.091 122.344 121.300 -0.079 0.000 2.453 412 W HA -0.009 4.630 4.660 -0.035 0.000 0.289 412 W C 1.114 177.589 176.519 -0.072 0.000 1.215 412 W CA 1.040 58.343 57.345 -0.071 0.000 1.297 412 W CB -0.031 29.369 29.460 -0.100 0.000 1.113 412 W HN 0.429 nan 8.180 nan 0.000 0.551 413 G N 2.136 110.885 108.800 -0.085 0.000 2.371 413 G HA2 -0.296 3.644 3.960 -0.033 0.000 0.299 413 G HA3 -0.296 3.644 3.960 -0.033 0.000 0.299 413 G C -0.131 174.655 174.900 -0.189 0.000 1.014 413 G CA 0.674 45.690 45.100 -0.140 0.000 1.097 413 G HN 0.264 nan 8.290 nan 0.000 0.512 414 S N -0.111 115.521 115.700 -0.114 0.000 2.411 414 S HA 0.578 5.028 4.470 -0.033 0.000 0.294 414 S C 0.961 175.586 174.600 0.042 0.000 1.115 414 S CA -0.546 57.646 58.200 -0.014 0.000 1.071 414 S CB -0.038 63.311 63.200 0.248 0.000 0.967 414 S HN 1.110 nan 8.310 nan 0.000 0.488 415 I N 2.986 123.560 120.570 0.007 0.000 2.588 415 I HA 0.649 4.799 4.170 -0.033 0.000 0.283 415 I C 1.227 177.372 176.117 0.047 0.000 1.119 415 I CA 0.494 61.801 61.300 0.011 0.000 1.419 415 I CB 0.280 38.250 38.000 -0.050 0.000 1.394 415 I HN 0.793 nan 8.210 nan 0.000 0.562 416 G N 4.715 113.532 108.800 0.029 0.000 2.339 416 G HA2 -0.340 3.600 3.960 -0.033 0.000 0.209 416 G HA3 -0.340 3.600 3.960 -0.033 0.000 0.209 416 G C 0.519 175.292 174.900 -0.212 0.000 1.015 416 G CA 0.369 45.485 45.100 0.027 0.000 0.635 416 G HN 0.820 nan 8.290 nan 0.000 0.499 417 F N 3.347 122.906 119.950 -0.652 0.000 2.063 417 F HA -0.226 4.281 4.527 -0.033 0.000 0.297 417 F C 2.903 178.388 175.800 -0.524 0.000 1.099 417 F CA 3.866 61.185 58.000 -1.136 0.000 1.220 417 F CB -0.825 37.839 39.000 -0.559 0.000 0.972 417 F HN 0.511 nan 8.300 nan 0.000 0.487 418 T N -2.690 111.595 114.554 -0.447 0.000 2.699 418 T HA -0.238 4.092 4.350 -0.033 0.000 0.268 418 T C 1.879 176.427 174.700 -0.254 0.000 1.036 418 T CA 2.137 64.021 62.100 -0.360 0.000 1.147 418 T CB -1.473 67.367 68.868 -0.047 0.000 0.862 418 T HN 0.422 nan 8.240 nan 0.000 0.446 419 T N 1.471 115.939 114.554 -0.143 0.000 2.652 419 T HA 0.036 4.366 4.350 -0.033 0.000 0.267 419 T C 2.312 176.963 174.700 -0.081 0.000 1.039 419 T CA 1.366 63.434 62.100 -0.053 0.000 1.153 419 T CB -1.201 67.688 68.868 0.036 0.000 0.863 419 T HN 0.610 nan 8.240 nan 0.000 0.428 420 G N 1.230 109.977 108.800 -0.087 0.000 2.414 420 G HA2 0.005 3.945 3.960 -0.033 0.000 0.215 420 G HA3 0.005 3.945 3.960 -0.033 0.000 0.215 420 G C 1.903 176.699 174.900 -0.172 0.000 1.188 420 G CA 0.821 45.898 45.100 -0.038 0.000 0.783 420 G HN 0.595 nan 8.290 nan 0.000 0.537 421 A N 0.355 122.945 122.820 -0.383 0.000 1.986 421 A HA -0.064 4.236 4.320 -0.033 0.000 0.220 421 A C 2.497 179.952 177.584 -0.216 0.000 1.171 421 A CA 2.506 54.304 52.037 -0.399 0.000 0.640 421 A CB -0.959 17.558 19.000 -0.806 0.000 0.811 421 A HN 0.320 nan 8.150 nan 0.000 0.451 422 T N 0.254 114.705 114.554 -0.171 0.000 2.788 422 T HA -0.118 4.212 4.350 -0.033 0.000 0.268 422 T C 1.828 176.477 174.700 -0.085 0.000 1.044 422 T CA 1.227 63.272 62.100 -0.093 0.000 1.139 422 T CB -0.283 68.550 68.868 -0.057 0.000 0.867 422 T HN 0.395 nan 8.240 nan 0.000 0.454 423 L N 1.130 122.300 121.223 -0.089 0.000 2.027 423 L HA 0.012 4.332 4.340 -0.033 0.000 0.206 423 L C 2.586 179.450 176.870 -0.010 0.000 1.074 423 L CA 2.260 57.042 54.840 -0.097 0.000 0.745 423 L CB -1.473 40.560 42.059 -0.043 0.000 0.898 423 L HN 0.374 nan 8.230 nan 0.000 0.433 424 G N -0.633 108.198 108.800 0.051 0.000 2.404 424 G HA2 -0.246 3.694 3.960 -0.033 0.000 0.215 424 G HA3 -0.246 3.694 3.960 -0.033 0.000 0.215 424 G C 1.687 176.732 174.900 0.243 0.000 1.174 424 G CA 0.896 46.116 45.100 0.200 0.000 0.780 424 G HN 0.594 nan 8.290 nan 0.000 0.537 425 A N 1.066 123.912 122.820 0.043 0.000 1.978 425 A HA 0.246 4.546 4.320 -0.033 0.000 0.220 425 A C 2.751 180.336 177.584 0.003 0.000 1.170 425 A CA 2.250 54.275 52.037 -0.019 0.000 0.636 425 A CB -0.625 18.338 19.000 -0.062 0.000 0.810 425 A HN 0.767 nan 8.150 nan 0.000 0.448 426 A N -1.559 121.266 122.820 0.008 0.000 1.968 426 A HA 0.136 4.436 4.320 -0.033 0.000 0.217 426 A C 1.866 179.473 177.584 0.039 0.000 1.169 426 A CA 1.242 53.261 52.037 -0.030 0.000 0.638 426 A CB -0.570 18.366 19.000 -0.106 0.000 0.812 426 A HN 0.423 nan 8.150 nan 0.000 0.446 427 F N 0.057 120.061 119.950 0.089 0.000 2.163 427 F HA 0.053 4.560 4.527 -0.033 0.000 0.297 427 F C 2.725 178.607 175.800 0.137 0.000 1.094 427 F CA 0.622 58.688 58.000 0.110 0.000 1.290 427 F CB -0.595 38.496 39.000 0.152 0.000 1.017 427 F HN 0.252 nan 8.300 nan 0.000 0.483 428 A N -0.100 122.893 122.820 0.289 0.000 1.873 428 A HA 0.009 4.309 4.320 -0.033 0.000 0.215 428 A C 2.418 179.964 177.584 -0.063 0.000 1.186 428 A CA 1.599 53.566 52.037 -0.116 0.000 0.616 428 A CB -1.345 17.343 19.000 -0.520 0.000 0.823 428 A HN 0.264 nan 8.150 nan 0.000 0.442 429 A N -0.261 122.537 122.820 -0.037 0.000 1.940 429 A HA -0.227 4.073 4.320 -0.033 0.000 0.219 429 A C 2.045 179.625 177.584 -0.006 0.000 1.176 429 A CA 1.898 53.911 52.037 -0.040 0.000 0.631 429 A CB -0.554 18.423 19.000 -0.038 0.000 0.814 429 A HN 0.694 nan 8.150 nan 0.000 0.446 430 E N -0.087 120.132 120.200 0.031 0.000 2.150 430 E HA -0.203 4.127 4.350 -0.033 0.000 0.193 430 E C 1.719 178.343 176.600 0.040 0.000 0.985 430 E CA 1.245 57.671 56.400 0.043 0.000 0.814 430 E CB -0.108 29.639 29.700 0.078 0.000 0.752 430 E HN 0.778 nan 8.360 nan 0.000 0.466 431 E N 0.012 120.236 120.200 0.040 0.000 2.208 431 E HA -0.130 4.200 4.350 -0.033 0.000 0.193 431 E C 1.920 178.515 176.600 -0.007 0.000 0.988 431 E CA 0.502 56.915 56.400 0.021 0.000 0.828 431 E CB 0.176 29.897 29.700 0.034 0.000 0.763 431 E HN 0.303 nan 8.360 nan 0.000 0.478 432 I N 0.768 121.322 120.570 -0.026 0.000 2.296 432 I HA 0.003 4.153 4.170 -0.033 0.000 0.242 432 I C 0.596 176.702 176.117 -0.017 0.000 1.087 432 I CA 0.966 62.246 61.300 -0.033 0.000 1.393 432 I CB -0.508 37.459 38.000 -0.054 0.000 1.093 432 I HN -0.025 nan 8.210 nan 0.000 0.421 433 D N -0.633 119.760 120.400 -0.012 0.000 2.804 433 D HA 0.214 4.834 4.640 -0.033 0.000 0.209 433 D C -2.338 173.963 176.300 0.002 0.000 1.314 433 D CA -1.380 52.618 54.000 -0.004 0.000 0.894 433 D CB 1.998 42.793 40.800 -0.009 0.000 1.615 433 D HN -0.221 nan 8.370 nan 0.000 0.571 434 P HA -0.119 nan 4.420 nan 0.000 0.220 434 P C 0.774 178.079 177.300 0.009 0.000 1.144 434 P CA 1.096 64.204 63.100 0.014 0.000 0.800 434 P CB 0.275 31.986 31.700 0.018 0.000 0.772 435 K N 0.226 120.629 120.400 0.005 0.000 2.417 435 K HA 0.015 4.315 4.320 -0.033 0.000 0.196 435 K C 0.594 177.195 176.600 0.002 0.000 1.023 435 K CA -0.060 56.231 56.287 0.005 0.000 1.122 435 K CB -0.385 32.117 32.500 0.003 0.000 0.850 435 K HN -0.079 nan 8.250 nan 0.000 0.521 436 K N 1.647 122.045 120.400 -0.002 0.000 2.312 436 K HA 0.120 4.420 4.320 -0.033 0.000 0.287 436 K C -0.757 175.848 176.600 0.008 0.000 1.062 436 K CA -0.501 55.780 56.287 -0.010 0.000 0.934 436 K CB 0.610 33.097 32.500 -0.021 0.000 1.027 436 K HN 0.082 nan 8.250 nan 0.000 0.478 437 R N 2.438 122.945 120.500 0.011 0.000 2.459 437 R HA 0.316 4.636 4.340 -0.033 0.000 0.281 437 R C -0.755 175.579 176.300 0.056 0.000 1.050 437 R CA -0.832 55.311 56.100 0.071 0.000 1.055 437 R CB 1.399 31.726 30.300 0.045 0.000 1.045 437 R HN 0.322 nan 8.270 nan 0.000 0.495 438 V N 4.742 124.736 119.914 0.134 0.000 2.443 438 V HA 0.390 4.490 4.120 -0.033 0.000 0.293 438 V C -0.242 175.970 176.094 0.196 0.000 1.021 438 V CA -0.635 61.727 62.300 0.102 0.000 0.848 438 V CB 1.474 33.326 31.823 0.048 0.000 0.998 438 V HN 0.607 nan 8.190 nan 0.000 0.424 439 I N 5.746 126.410 120.570 0.157 0.000 2.378 439 I HA 0.491 4.641 4.170 -0.033 0.000 0.291 439 I C -0.629 175.565 176.117 0.129 0.000 0.992 439 I CA -0.487 60.931 61.300 0.198 0.000 1.154 439 I CB 1.805 39.919 38.000 0.190 0.000 1.315 439 I HN 0.371 nan 8.210 nan 0.000 0.448 440 L N 7.112 128.375 121.223 0.067 0.000 2.356 440 L HA 0.568 4.888 4.340 -0.033 0.000 0.277 440 L C -1.762 175.042 176.870 -0.110 0.000 0.996 440 L CA -0.393 54.473 54.840 0.043 0.000 0.822 440 L CB 1.626 43.728 42.059 0.072 0.000 1.256 440 L HN 0.438 nan 8.230 nan 0.000 0.413 441 F N 6.284 126.433 119.950 0.332 0.000 2.347 441 F HA 0.504 5.011 4.527 -0.034 0.000 0.366 441 F C 0.251 176.216 175.800 0.276 0.000 1.107 441 F CA -0.413 57.810 58.000 0.373 0.000 1.058 441 F CB 1.533 40.827 39.000 0.491 0.000 1.236 441 F HN 0.318 nan 8.300 nan 0.000 0.456 442 I N 2.055 122.828 120.570 0.339 0.000 2.545 442 I HA 0.684 4.834 4.170 -0.033 0.000 0.292 442 I C 0.288 176.534 176.117 0.214 0.000 1.040 442 I CA -0.554 60.886 61.300 0.233 0.000 1.068 442 I CB 1.542 39.628 38.000 0.143 0.000 1.251 442 I HN 0.611 nan 8.210 nan 0.000 0.424 443 G N 3.843 112.753 108.800 0.185 0.000 2.569 443 G HA2 0.058 3.998 3.960 -0.033 0.000 0.249 443 G HA3 0.058 3.998 3.960 -0.033 0.000 0.249 443 G C 0.633 175.587 174.900 0.091 0.000 1.216 443 G CA 0.054 45.247 45.100 0.155 0.000 0.845 443 G HN 0.812 nan 8.290 nan 0.000 0.568 444 D N 0.479 120.919 120.400 0.067 0.000 2.178 444 D HA -0.095 4.525 4.640 -0.033 0.000 0.202 444 D C 2.161 178.483 176.300 0.037 0.000 0.974 444 D CA 1.271 55.283 54.000 0.020 0.000 0.841 444 D CB -0.858 39.995 40.800 0.089 0.000 0.953 444 D HN 0.465 nan 8.370 nan 0.000 0.478 445 G N 0.535 109.415 108.800 0.133 0.000 2.433 445 G HA2 -0.257 3.683 3.960 -0.033 0.000 0.216 445 G HA3 -0.257 3.683 3.960 -0.033 0.000 0.216 445 G C 1.826 176.812 174.900 0.143 0.000 1.186 445 G CA 1.301 46.576 45.100 0.293 0.000 0.779 445 G HN 0.379 nan 8.290 nan 0.000 0.543 446 S N 0.445 116.188 115.700 0.071 0.000 2.382 446 S HA 0.004 4.454 4.470 -0.033 0.000 0.228 446 S C 2.138 176.777 174.600 0.065 0.000 1.027 446 S CA 0.598 58.827 58.200 0.048 0.000 0.991 446 S CB -0.283 62.946 63.200 0.048 0.000 0.823 446 S HN 0.272 nan 8.310 nan 0.000 0.469 447 L N 1.772 123.032 121.223 0.061 0.000 2.079 447 L HA -0.195 4.125 4.340 -0.033 0.000 0.210 447 L C 2.397 179.355 176.870 0.146 0.000 1.081 447 L CA 1.637 56.538 54.840 0.103 0.000 0.752 447 L CB -0.643 41.470 42.059 0.090 0.000 0.896 447 L HN 0.437 nan 8.230 nan 0.000 0.433 448 Q N -0.510 119.288 119.800 -0.003 0.000 2.135 448 Q HA -0.256 4.064 4.340 -0.033 0.000 0.204 448 Q C 2.157 178.278 176.000 0.202 0.000 0.981 448 Q CA 1.455 57.220 55.803 -0.063 0.000 0.856 448 Q CB -0.128 28.349 28.738 -0.436 0.000 0.902 448 Q HN 0.434 nan 8.270 nan 0.000 0.425 449 L N -0.299 121.018 121.223 0.157 0.000 2.156 449 L HA -0.099 4.221 4.340 -0.033 0.000 0.208 449 L C 1.936 178.935 176.870 0.215 0.000 1.095 449 L CA 1.696 56.646 54.840 0.183 0.000 0.770 449 L CB -0.068 42.087 42.059 0.158 0.000 0.914 449 L HN 0.298 nan 8.230 nan 0.000 0.439 450 T N -6.397 108.284 114.554 0.211 0.000 3.275 450 T HA 0.133 4.463 4.350 -0.033 0.000 0.298 450 T C 1.377 176.195 174.700 0.197 0.000 0.988 450 T CA 0.192 62.415 62.100 0.205 0.000 0.936 450 T CB -0.200 68.799 68.868 0.219 0.000 1.159 450 T HN -0.113 nan 8.240 nan 0.000 0.519 451 V N 2.939 123.019 119.914 0.278 0.000 2.252 451 V HA -0.344 3.756 4.120 -0.033 0.000 0.255 451 V C 2.940 179.177 176.094 0.239 0.000 1.071 451 V CA 2.927 65.439 62.300 0.354 0.000 1.050 451 V CB -0.496 31.682 31.823 0.590 0.000 0.654 451 V HN 0.797 nan 8.190 nan 0.000 0.448 452 Q N -0.638 119.220 119.800 0.096 0.000 2.376 452 Q HA -0.296 4.024 4.340 -0.033 0.000 0.211 452 Q C 1.774 177.619 176.000 -0.257 0.000 0.986 452 Q CA 2.226 57.883 55.803 -0.243 0.000 0.886 452 Q CB -0.649 27.980 28.738 -0.181 0.000 0.927 452 Q HN 0.699 nan 8.270 nan 0.000 0.457 453 E N 0.985 121.146 120.200 -0.064 0.000 2.268 453 E HA 0.001 4.331 4.350 -0.033 0.000 0.195 453 E C 1.848 178.417 176.600 -0.051 0.000 0.995 453 E CA 0.592 56.968 56.400 -0.040 0.000 0.836 453 E CB -0.307 29.407 29.700 0.023 0.000 0.763 453 E HN 0.514 nan 8.360 nan 0.000 0.491 454 I N -0.307 120.250 120.570 -0.022 0.000 2.208 454 I HA -0.342 3.808 4.170 -0.033 0.000 0.245 454 I C 2.401 178.498 176.117 -0.032 0.000 1.097 454 I CA 1.251 62.581 61.300 0.051 0.000 1.363 454 I CB -0.416 37.734 38.000 0.250 0.000 1.051 454 I HN 0.134 nan 8.210 nan 0.000 0.413 455 S N 0.403 115.930 115.700 -0.288 0.000 2.378 455 S HA -0.286 4.164 4.470 -0.033 0.000 0.229 455 S C 2.081 176.627 174.600 -0.090 0.000 1.052 455 S CA 2.629 60.665 58.200 -0.273 0.000 1.084 455 S CB -0.509 62.384 63.200 -0.513 0.000 0.950 455 S HN 0.499 nan 8.310 nan 0.000 0.440 456 T N 2.343 116.867 114.554 -0.050 0.000 2.759 456 T HA -0.108 4.222 4.350 -0.033 0.000 0.269 456 T C 1.841 176.615 174.700 0.123 0.000 1.042 456 T CA 1.826 63.970 62.100 0.075 0.000 1.140 456 T CB -0.376 68.560 68.868 0.112 0.000 0.864 456 T HN 0.443 nan 8.240 nan 0.000 0.455 457 M N 0.323 119.934 119.600 0.018 0.000 2.067 457 M HA -0.012 4.448 4.480 -0.033 0.000 0.260 457 M C 2.277 178.581 176.300 0.006 0.000 1.069 457 M CA 1.787 57.064 55.300 -0.038 0.000 1.117 457 M CB -0.652 31.915 32.600 -0.056 0.000 1.334 457 M HN 0.184 nan 8.290 nan 0.000 0.407 458 I N -0.132 120.442 120.570 0.005 0.000 2.179 458 I HA -0.294 3.856 4.170 -0.033 0.000 0.242 458 I C 2.489 178.594 176.117 -0.021 0.000 1.088 458 I CA 1.430 62.730 61.300 0.001 0.000 1.357 458 I CB -0.509 37.497 38.000 0.010 0.000 1.051 458 I HN 0.240 nan 8.210 nan 0.000 0.409 459 R N 0.072 120.545 120.500 -0.045 0.000 2.094 459 R HA -0.213 4.107 4.340 -0.033 0.000 0.239 459 R C 1.833 177.953 176.300 -0.300 0.000 1.137 459 R CA 2.059 58.054 56.100 -0.175 0.000 0.943 459 R CB -0.663 29.501 30.300 -0.227 0.000 0.850 459 R HN 0.386 nan 8.270 nan 0.000 0.433 460 W N 0.115 121.416 121.300 0.001 0.000 3.180 460 W HA 0.235 4.875 4.660 -0.033 0.000 0.254 460 W C 0.840 177.350 176.519 -0.016 0.000 1.318 460 W CA 0.568 57.927 57.345 0.023 0.000 1.608 460 W CB 0.129 29.628 29.460 0.065 0.000 1.124 460 W HN 0.342 nan 8.180 nan 0.000 0.694 461 G N 1.467 110.326 108.800 0.099 0.000 2.298 461 G HA2 -0.301 3.639 3.960 -0.033 0.000 0.287 461 G HA3 -0.301 3.639 3.960 -0.033 0.000 0.287 461 G C -0.200 174.730 174.900 0.049 0.000 1.075 461 G CA -0.324 44.810 45.100 0.057 0.000 0.960 461 G HN 0.197 nan 8.290 nan 0.000 0.502 462 L N -1.138 120.091 121.223 0.010 0.000 2.379 462 L HA 0.549 4.870 4.340 -0.033 0.000 0.269 462 L C 0.999 177.830 176.870 -0.064 0.000 1.084 462 L CA -0.641 54.167 54.840 -0.053 0.000 0.802 462 L CB 1.377 43.337 42.059 -0.166 0.000 1.175 462 L HN 0.122 nan 8.230 nan 0.000 0.448 463 K N 2.285 122.638 120.400 -0.080 0.000 3.205 463 K HA 0.275 4.575 4.320 -0.033 0.000 0.202 463 K C -2.431 174.062 176.600 -0.178 0.000 1.160 463 K CA -1.337 54.873 56.287 -0.127 0.000 0.995 463 K CB 0.411 32.841 32.500 -0.117 0.000 1.041 463 K HN 0.302 nan 8.250 nan 0.000 0.507 464 P HA 0.007 nan 4.420 nan 0.000 0.274 464 P C -0.867 176.338 177.300 -0.159 0.000 1.246 464 P CA -0.203 62.856 63.100 -0.067 0.000 0.795 464 P CB 0.540 32.224 31.700 -0.026 0.000 1.006 465 Y N 0.561 120.832 120.300 -0.047 0.000 2.367 465 Y HA 0.254 4.784 4.550 -0.034 0.000 0.342 465 Y C 0.295 176.133 175.900 -0.104 0.000 0.979 465 Y CA -0.649 57.386 58.100 -0.108 0.000 1.161 465 Y CB 0.572 39.041 38.460 0.014 0.000 1.155 465 Y HN 0.047 nan 8.280 nan 0.000 0.503 466 L N 5.594 126.772 121.223 -0.074 0.000 2.270 466 L HA 0.331 4.652 4.340 -0.033 0.000 0.286 466 L C -0.877 175.917 176.870 -0.126 0.000 1.059 466 L CA -0.930 53.885 54.840 -0.043 0.000 0.839 466 L CB -0.875 41.173 42.059 -0.020 0.000 1.221 466 L HN 0.396 nan 8.230 nan 0.000 0.431 467 F N 2.879 122.778 119.950 -0.084 0.000 2.410 467 F HA 0.500 5.006 4.527 -0.034 0.000 0.349 467 F C 0.410 176.243 175.800 0.054 0.000 1.117 467 F CA -0.654 57.323 58.000 -0.039 0.000 1.104 467 F CB 1.416 40.302 39.000 -0.189 0.000 1.122 467 F HN 0.026 nan 8.300 nan 0.000 0.483 468 V N 5.249 125.295 119.914 0.220 0.000 2.378 468 V HA 0.303 4.403 4.120 -0.033 0.000 0.288 468 V C -0.466 175.729 176.094 0.168 0.000 1.016 468 V CA -0.844 61.522 62.300 0.111 0.000 0.840 468 V CB 1.367 33.122 31.823 -0.113 0.000 0.994 468 V HN 0.386 nan 8.190 nan 0.000 0.431 469 L N 4.815 126.163 121.223 0.207 0.000 2.342 469 L HA 0.362 4.683 4.340 -0.033 0.000 0.285 469 L C 0.544 177.495 176.870 0.135 0.000 1.095 469 L CA 0.332 55.298 54.840 0.211 0.000 0.843 469 L CB -0.101 42.121 42.059 0.272 0.000 1.201 469 L HN 0.548 nan 8.230 nan 0.000 0.445 470 N N 3.455 122.229 118.700 0.125 0.000 2.420 470 N HA 0.133 4.853 4.740 -0.033 0.000 0.249 470 N C -0.004 175.558 175.510 0.086 0.000 1.033 470 N CA -0.137 52.983 53.050 0.117 0.000 0.944 470 N CB 0.567 39.148 38.487 0.157 0.000 1.113 470 N HN 0.607 nan 8.380 nan 0.000 0.502 471 N N 1.919 120.657 118.700 0.063 0.000 2.232 471 N HA 0.085 4.805 4.740 -0.033 0.000 0.240 471 N C -0.585 174.900 175.510 -0.041 0.000 1.307 471 N CA -0.336 52.721 53.050 0.012 0.000 0.859 471 N CB 0.012 38.511 38.487 0.021 0.000 1.260 471 N HN 0.321 nan 8.380 nan 0.000 0.501 472 D N -0.494 119.896 120.400 -0.017 0.000 2.746 472 D HA -0.073 4.547 4.640 -0.033 0.000 0.236 472 D C 0.374 176.615 176.300 -0.099 0.000 1.129 472 D CA 1.940 55.908 54.000 -0.053 0.000 0.691 472 D CB -1.252 39.506 40.800 -0.071 0.000 1.077 472 D HN 0.887 nan 8.370 nan 0.000 0.432 473 G N -0.892 107.863 108.800 -0.075 0.000 2.302 473 G HA2 0.127 4.067 3.960 -0.033 0.000 0.264 473 G HA3 0.127 4.067 3.960 -0.033 0.000 0.264 473 G C -1.450 173.482 174.900 0.054 0.000 1.335 473 G CA -0.532 44.479 45.100 -0.147 0.000 0.982 473 G HN 0.061 nan 8.290 nan 0.000 0.473 474 Y N 2.118 122.408 120.300 -0.017 0.000 2.821 474 Y HA 0.412 4.942 4.550 -0.033 0.000 0.331 474 Y C 2.161 178.070 175.900 0.015 0.000 1.251 474 Y CA -0.323 57.786 58.100 0.015 0.000 1.494 474 Y CB 0.125 38.611 38.460 0.043 0.000 1.493 474 Y HN 0.731 nan 8.280 nan 0.000 0.496 475 T N -2.084 112.552 114.554 0.137 0.000 2.915 475 T HA -0.192 4.138 4.350 -0.033 0.000 0.269 475 T C 1.916 176.677 174.700 0.102 0.000 1.071 475 T CA 1.238 63.383 62.100 0.074 0.000 1.132 475 T CB -0.215 68.649 68.868 -0.007 0.000 0.878 475 T HN 0.488 nan 8.240 nan 0.000 0.479 476 I N 0.940 121.567 120.570 0.095 0.000 2.252 476 I HA -0.024 4.126 4.170 -0.033 0.000 0.245 476 I C 2.573 178.735 176.117 0.075 0.000 1.102 476 I CA 1.644 62.976 61.300 0.053 0.000 1.385 476 I CB -0.228 37.802 38.000 0.051 0.000 1.064 476 I HN 0.287 nan 8.210 nan 0.000 0.414 477 E N 0.181 120.452 120.200 0.119 0.000 2.150 477 E HA -0.234 4.096 4.350 -0.033 0.000 0.193 477 E C 2.093 178.811 176.600 0.197 0.000 0.985 477 E CA 0.950 57.445 56.400 0.158 0.000 0.814 477 E CB 0.063 29.887 29.700 0.205 0.000 0.752 477 E HN 0.449 nan 8.360 nan 0.000 0.466 478 K N -0.101 120.415 120.400 0.194 0.000 2.155 478 K HA -0.101 4.200 4.320 -0.033 0.000 0.203 478 K C 1.760 178.479 176.600 0.198 0.000 1.052 478 K CA 0.549 56.962 56.287 0.211 0.000 0.948 478 K CB 0.086 32.729 32.500 0.240 0.000 0.728 478 K HN 0.078 nan 8.250 nan 0.000 0.448 479 L N 0.423 121.743 121.223 0.163 0.000 2.554 479 L HA 0.010 4.330 4.340 -0.033 0.000 0.226 479 L C 1.578 178.478 176.870 0.051 0.000 1.137 479 L CA 0.949 55.849 54.840 0.100 0.000 0.863 479 L CB 0.167 42.277 42.059 0.086 0.000 0.985 479 L HN 0.138 nan 8.230 nan 0.000 0.451 480 I N -2.897 117.723 120.570 0.083 0.000 3.443 480 I HA 0.095 4.245 4.170 -0.033 0.000 0.277 480 I C 0.327 176.544 176.117 0.166 0.000 1.169 480 I CA 0.009 61.365 61.300 0.093 0.000 1.419 480 I CB 0.471 38.524 38.000 0.088 0.000 1.331 480 I HN 0.039 nan 8.210 nan 0.000 0.458 481 H N 0.674 119.796 119.070 0.086 0.000 3.099 481 H HA 0.314 4.850 4.556 -0.033 0.000 0.342 481 H C -0.452 174.954 175.328 0.129 0.000 1.054 481 H CA 0.118 56.229 56.048 0.105 0.000 1.328 481 H CB 1.825 31.662 29.762 0.125 0.000 1.876 481 H HN 0.277 nan 8.280 nan 0.000 0.495 482 G N 6.197 114.952 108.800 -0.074 0.000 2.438 482 G HA2 -0.184 3.756 3.960 -0.033 0.000 0.272 482 G HA3 -0.184 3.756 3.960 -0.033 0.000 0.272 482 G C -2.070 172.829 174.900 -0.003 0.000 0.991 482 G CA -0.140 44.943 45.100 -0.029 0.000 1.348 482 G HN 0.504 nan 8.290 nan 0.000 0.483 483 P HA -0.052 nan 4.420 nan 0.000 0.218 483 P C 1.323 178.719 177.300 0.160 0.000 1.148 483 P CA 1.346 64.543 63.100 0.161 0.000 0.822 483 P CB 0.202 31.929 31.700 0.044 0.000 0.784 484 K N -1.766 118.652 120.400 0.030 0.000 2.676 484 K HA 0.391 4.691 4.320 -0.033 0.000 0.205 484 K C 0.098 176.639 176.600 -0.097 0.000 1.084 484 K CA -0.332 55.954 56.287 -0.002 0.000 1.057 484 K CB 1.081 33.605 32.500 0.040 0.000 0.791 484 K HN -0.017 nan 8.250 nan 0.000 0.484 485 A N 1.647 124.342 122.820 -0.209 0.000 2.440 485 A HA 0.032 4.332 4.320 -0.033 0.000 0.251 485 A C 1.459 178.812 177.584 -0.385 0.000 1.089 485 A CA -0.137 51.664 52.037 -0.393 0.000 0.779 485 A CB 0.628 19.077 19.000 -0.918 0.000 1.022 485 A HN 0.275 nan 8.150 nan 0.000 0.492 486 Q N 1.823 121.477 119.800 -0.243 0.000 2.181 486 Q HA -0.234 4.086 4.340 -0.033 0.000 0.205 486 Q C 1.250 177.198 176.000 -0.087 0.000 0.980 486 Q CA 2.584 58.316 55.803 -0.118 0.000 0.862 486 Q CB -0.283 28.441 28.738 -0.024 0.000 0.905 486 Q HN 1.023 nan 8.270 nan 0.000 0.429 487 Y N -1.290 119.023 120.300 0.021 0.000 2.516 487 Y HA 0.174 4.705 4.550 -0.032 0.000 0.291 487 Y C 1.259 177.174 175.900 0.025 0.000 1.131 487 Y CA 0.619 58.741 58.100 0.037 0.000 1.281 487 Y CB -0.480 38.027 38.460 0.078 0.000 1.013 487 Y HN 0.026 nan 8.280 nan 0.000 0.554 488 N N 0.096 118.712 118.700 -0.140 0.000 2.336 488 N HA -0.002 4.718 4.740 -0.033 0.000 0.189 488 N C -0.312 175.008 175.510 -0.315 0.000 1.113 488 N CA 0.396 53.402 53.050 -0.072 0.000 0.858 488 N CB 0.090 38.560 38.487 -0.028 0.000 0.970 488 N HN 0.386 nan 8.380 nan 0.000 0.471 489 E N 0.401 120.409 120.200 -0.320 0.000 2.212 489 E HA 0.403 4.733 4.350 -0.033 0.000 0.270 489 E C 0.320 176.692 176.600 -0.380 0.000 0.956 489 E CA -0.659 55.552 56.400 -0.314 0.000 0.825 489 E CB 2.031 31.624 29.700 -0.179 0.000 1.167 489 E HN 0.173 nan 8.360 nan 0.000 0.400 490 I N -1.733 118.641 120.570 -0.327 0.000 2.846 490 I HA 0.470 4.620 4.170 -0.033 0.000 0.307 490 I C -0.157 175.872 176.117 -0.146 0.000 1.053 490 I CA -1.467 59.671 61.300 -0.270 0.000 1.050 490 I CB 1.737 39.541 38.000 -0.327 0.000 1.239 490 I HN 0.093 nan 8.210 nan 0.000 0.439 491 Q N 2.583 122.325 119.800 -0.097 0.000 2.313 491 Q HA 0.424 4.744 4.340 -0.033 0.000 0.266 491 Q C -0.079 175.908 176.000 -0.021 0.000 0.989 491 Q CA 0.141 55.952 55.803 0.014 0.000 0.890 491 Q CB 1.287 30.117 28.738 0.154 0.000 1.200 491 Q HN 0.914 nan 8.270 nan 0.000 0.396 492 G N 4.385 113.207 108.800 0.036 0.000 2.394 492 G HA2 0.272 4.212 3.960 -0.033 0.000 0.298 492 G HA3 0.272 4.212 3.960 -0.033 0.000 0.298 492 G C -1.143 173.856 174.900 0.165 0.000 1.087 492 G CA -0.518 44.605 45.100 0.038 0.000 1.035 492 G HN 0.486 nan 8.290 nan 0.000 0.420 493 W N 0.763 121.935 121.300 -0.214 0.000 2.415 493 W HA 0.385 5.025 4.660 -0.034 0.000 0.355 493 W C -0.133 176.119 176.519 -0.444 0.000 1.161 493 W CA -1.385 55.779 57.345 -0.301 0.000 1.315 493 W CB 1.301 30.559 29.460 -0.338 0.000 1.261 493 W HN 0.387 nan 8.180 nan 0.000 0.636 494 D N 0.198 120.535 120.400 -0.105 0.000 2.524 494 D HA 0.121 4.741 4.640 -0.033 0.000 0.222 494 D C 1.057 177.316 176.300 -0.068 0.000 1.142 494 D CA 0.018 53.954 54.000 -0.106 0.000 0.973 494 D CB -0.167 40.586 40.800 -0.079 0.000 1.025 494 D HN 0.359 nan 8.370 nan 0.000 0.519 495 H N 1.672 120.810 119.070 0.113 0.000 2.353 495 H HA -0.095 4.441 4.556 -0.033 0.000 0.298 495 H C 1.661 177.005 175.328 0.027 0.000 1.103 495 H CA 1.042 57.154 56.048 0.106 0.000 1.293 495 H CB 0.237 30.085 29.762 0.142 0.000 1.372 495 H HN 0.357 nan 8.280 nan 0.000 0.501 496 L N 0.238 121.542 121.223 0.135 0.000 2.633 496 L HA -0.067 4.253 4.340 -0.033 0.000 0.235 496 L C 1.352 178.216 176.870 -0.009 0.000 1.163 496 L CA 0.405 55.282 54.840 0.063 0.000 0.859 496 L CB -0.003 42.096 42.059 0.066 0.000 0.973 496 L HN 0.220 nan 8.230 nan 0.000 0.451 497 S N -0.794 114.871 115.700 -0.059 0.000 2.524 497 S HA 0.170 4.620 4.470 -0.033 0.000 0.215 497 S C 1.837 176.279 174.600 -0.263 0.000 0.986 497 S CA -0.171 57.943 58.200 -0.143 0.000 0.911 497 S CB 0.290 63.395 63.200 -0.157 0.000 0.805 497 S HN 0.286 nan 8.310 nan 0.000 0.501 498 L N 1.378 122.443 121.223 -0.265 0.000 1.970 498 L HA -0.153 4.167 4.340 -0.033 0.000 0.212 498 L C 2.195 178.776 176.870 -0.482 0.000 1.071 498 L CA 1.392 55.953 54.840 -0.465 0.000 0.751 498 L CB -0.915 41.017 42.059 -0.211 0.000 0.889 498 L HN 0.307 nan 8.230 nan 0.000 0.432 499 L N -0.371 120.659 121.223 -0.321 0.000 1.991 499 L HA -0.225 4.095 4.340 -0.033 0.000 0.221 499 L C -0.009 176.567 176.870 -0.491 0.000 1.079 499 L CA 1.878 56.472 54.840 -0.409 0.000 0.778 499 L CB -2.273 39.463 42.059 -0.539 0.000 0.893 499 L HN 0.277 nan 8.230 nan 0.000 0.437 500 P HA -0.105 nan 4.420 nan 0.000 0.216 500 P C 1.618 178.778 177.300 -0.234 0.000 1.153 500 P CA 1.439 64.326 63.100 -0.354 0.000 0.848 500 P CB -0.210 31.351 31.700 -0.231 0.000 0.787 501 T N -0.754 113.613 114.554 -0.311 0.000 2.803 501 T HA -0.124 4.206 4.350 -0.033 0.000 0.269 501 T C 0.965 175.574 174.700 -0.151 0.000 1.052 501 T CA 1.179 63.095 62.100 -0.306 0.000 1.136 501 T CB -0.808 67.786 68.868 -0.457 0.000 0.864 501 T HN -0.013 nan 8.240 nan 0.000 0.467 502 F N 0.754 120.636 119.950 -0.114 0.000 2.797 502 F HA 0.403 4.911 4.527 -0.033 0.000 0.302 502 F C 1.932 177.678 175.800 -0.090 0.000 1.130 502 F CA -0.720 57.226 58.000 -0.090 0.000 1.387 502 F CB -0.852 38.100 39.000 -0.081 0.000 1.107 502 F HN 0.301 nan 8.300 nan 0.000 0.577 503 G N 0.238 109.068 108.800 0.050 0.000 2.132 503 G HA2 -0.089 3.851 3.960 -0.033 0.000 0.228 503 G HA3 -0.089 3.851 3.960 -0.033 0.000 0.228 503 G C 0.403 175.289 174.900 -0.023 0.000 1.000 503 G CA -0.108 44.993 45.100 0.002 0.000 0.693 503 G HN 0.639 nan 8.290 nan 0.000 0.515 504 A N -0.430 122.335 122.820 -0.092 0.000 2.488 504 A HA 0.640 4.940 4.320 -0.033 0.000 0.249 504 A C 1.324 178.943 177.584 0.058 0.000 1.083 504 A CA 1.175 53.165 52.037 -0.078 0.000 0.768 504 A CB 0.464 19.329 19.000 -0.225 0.000 1.017 504 A HN 0.748 nan 8.150 nan 0.000 0.496 505 K N 1.396 121.890 120.400 0.156 0.000 2.172 505 K HA 0.193 4.493 4.320 -0.033 0.000 0.203 505 K C -0.129 176.599 176.600 0.214 0.000 1.040 505 K CA 0.965 57.349 56.287 0.161 0.000 0.974 505 K CB -0.053 32.487 32.500 0.066 0.000 0.857 505 K HN 0.504 nan 8.250 nan 0.000 0.464 506 D N -0.041 120.479 120.400 0.200 0.000 2.471 506 D HA 0.344 4.964 4.640 -0.033 0.000 0.245 506 D C -1.258 175.140 176.300 0.164 0.000 1.116 506 D CA -0.741 53.307 54.000 0.080 0.000 0.853 506 D CB 0.596 41.408 40.800 0.019 0.000 1.123 506 D HN 0.204 nan 8.370 nan 0.000 0.540 507 Y N -0.050 120.219 120.300 -0.051 0.000 2.871 507 Y HA 0.680 5.211 4.550 -0.033 0.000 0.331 507 Y C -1.409 174.448 175.900 -0.071 0.000 1.378 507 Y CA -1.155 56.906 58.100 -0.064 0.000 1.079 507 Y CB 0.912 39.338 38.460 -0.056 0.000 1.441 507 Y HN 0.131 nan 8.280 nan 0.000 0.446 508 E N 0.328 120.546 120.200 0.030 0.000 2.331 508 E HA 0.615 4.945 4.350 -0.033 0.000 0.275 508 E C -1.569 175.034 176.600 0.005 0.000 0.895 508 E CA -1.069 55.272 56.400 -0.099 0.000 0.753 508 E CB 2.746 32.421 29.700 -0.042 0.000 1.216 508 E HN 0.767 nan 8.360 nan 0.000 0.434 509 T N -0.538 113.915 114.554 -0.169 0.000 2.907 509 T HA 0.634 4.964 4.350 -0.033 0.000 0.292 509 T C -0.613 173.866 174.700 -0.368 0.000 1.043 509 T CA -0.875 61.172 62.100 -0.089 0.000 1.003 509 T CB 1.402 70.301 68.868 0.051 0.000 1.084 509 T HN 0.421 nan 8.240 nan 0.000 0.483 510 H N 0.316 119.393 119.070 0.011 0.000 3.042 510 H HA 0.570 5.106 4.556 -0.033 0.000 0.346 510 H C -0.985 174.344 175.328 0.002 0.000 1.294 510 H CA -0.886 55.154 56.048 -0.014 0.000 1.141 510 H CB 2.568 32.291 29.762 -0.065 0.000 1.872 510 H HN 0.699 nan 8.280 nan 0.000 0.541 511 R N 1.498 122.089 120.500 0.152 0.000 2.628 511 R HA 0.595 4.915 4.340 -0.033 0.000 0.288 511 R C -1.962 174.398 176.300 0.099 0.000 0.980 511 R CA -0.668 55.501 56.100 0.115 0.000 0.891 511 R CB 2.072 32.424 30.300 0.087 0.000 1.188 511 R HN 0.332 nan 8.270 nan 0.000 0.450 512 V N 3.158 123.144 119.914 0.120 0.000 2.709 512 V HA 0.627 4.728 4.120 -0.033 0.000 0.308 512 V C -0.171 175.995 176.094 0.120 0.000 1.062 512 V CA -0.041 62.331 62.300 0.120 0.000 0.901 512 V CB 1.780 33.701 31.823 0.164 0.000 1.003 512 V HN 1.019 nan 8.190 nan 0.000 0.425 513 A N 3.197 126.061 122.820 0.074 0.000 2.474 513 A HA 0.482 4.782 4.320 -0.033 0.000 0.221 513 A C 0.711 178.289 177.584 -0.010 0.000 1.298 513 A CA 0.747 52.807 52.037 0.039 0.000 1.008 513 A CB 0.466 19.483 19.000 0.028 0.000 1.217 513 A HN 0.833 nan 8.150 nan 0.000 0.553 514 T N -3.684 110.860 114.554 -0.017 0.000 2.926 514 T HA 0.444 4.774 4.350 -0.033 0.000 0.289 514 T C 1.227 175.843 174.700 -0.140 0.000 1.054 514 T CA 0.416 62.455 62.100 -0.102 0.000 1.015 514 T CB 1.073 69.894 68.868 -0.078 0.000 1.167 514 T HN 0.388 nan 8.240 nan 0.000 0.526 515 T N -1.289 113.051 114.554 -0.357 0.000 2.708 515 T HA 0.009 4.339 4.350 -0.033 0.000 0.266 515 T C 2.292 176.952 174.700 -0.065 0.000 1.037 515 T CA 1.657 63.402 62.100 -0.591 0.000 1.146 515 T CB -1.433 66.868 68.868 -0.945 0.000 0.865 515 T HN 0.877 nan 8.240 nan 0.000 0.435 516 G N 1.168 109.933 108.800 -0.057 0.000 2.440 516 G HA2 -0.176 3.764 3.960 -0.033 0.000 0.218 516 G HA3 -0.176 3.764 3.960 -0.033 0.000 0.218 516 G C 1.544 176.473 174.900 0.049 0.000 1.154 516 G CA 0.882 45.995 45.100 0.020 0.000 0.767 516 G HN 0.653 nan 8.290 nan 0.000 0.552 517 E N -0.748 119.475 120.200 0.039 0.000 2.072 517 E HA -0.097 4.233 4.350 -0.033 0.000 0.191 517 E C 1.962 178.579 176.600 0.029 0.000 0.985 517 E CA 0.489 56.904 56.400 0.026 0.000 0.801 517 E CB -0.252 29.463 29.700 0.026 0.000 0.750 517 E HN 0.602 nan 8.360 nan 0.000 0.452 518 W N 2.366 123.652 121.300 -0.024 0.000 2.301 518 W HA -0.287 4.352 4.660 -0.034 0.000 0.325 518 W C 1.329 177.848 176.519 -0.001 0.000 1.250 518 W CA 1.868 59.230 57.345 0.029 0.000 1.261 518 W CB -0.331 29.258 29.460 0.214 0.000 1.157 518 W HN 0.075 nan 8.180 nan 0.000 0.473 519 D N 0.035 120.594 120.400 0.264 0.000 2.117 519 D HA -0.161 4.459 4.640 -0.033 0.000 0.197 519 D C 2.185 178.461 176.300 -0.040 0.000 0.987 519 D CA 1.603 55.691 54.000 0.145 0.000 0.829 519 D CB -0.341 40.623 40.800 0.275 0.000 0.961 519 D HN 0.213 nan 8.370 nan 0.000 0.460 520 K N -0.028 120.340 120.400 -0.053 0.000 2.097 520 K HA -0.125 4.175 4.320 -0.033 0.000 0.206 520 K C 2.102 178.577 176.600 -0.209 0.000 1.049 520 K CA 0.387 56.620 56.287 -0.090 0.000 0.933 520 K CB -0.146 32.322 32.500 -0.054 0.000 0.717 520 K HN 0.101 nan 8.250 nan 0.000 0.442 521 L N 1.095 122.091 121.223 -0.379 0.000 2.007 521 L HA -0.153 4.167 4.340 -0.033 0.000 0.205 521 L C 2.458 178.805 176.870 -0.872 0.000 1.073 521 L CA 2.144 56.542 54.840 -0.736 0.000 0.744 521 L CB -0.875 40.608 42.059 -0.958 0.000 0.898 521 L HN 0.242 nan 8.230 nan 0.000 0.435 522 T N -3.429 110.649 114.554 -0.794 0.000 2.977 522 T HA -0.188 4.142 4.350 -0.033 0.000 0.271 522 T C 1.665 176.332 174.700 -0.056 0.000 1.105 522 T CA 1.537 63.314 62.100 -0.540 0.000 1.116 522 T CB -0.358 68.002 68.868 -0.847 0.000 0.878 522 T HN 0.558 nan 8.240 nan 0.000 0.509 523 Q N 0.571 120.335 119.800 -0.059 0.000 2.396 523 Q HA 0.150 4.470 4.340 -0.033 0.000 0.209 523 Q C 0.239 176.278 176.000 0.064 0.000 0.906 523 Q CA -0.012 55.820 55.803 0.048 0.000 0.927 523 Q CB 0.148 28.909 28.738 0.039 0.000 1.069 523 Q HN 0.590 nan 8.270 nan 0.000 0.523 524 D N 0.777 121.192 120.400 0.024 0.000 2.412 524 D HA -0.046 4.574 4.640 -0.033 0.000 0.257 524 D C 0.416 176.818 176.300 0.169 0.000 1.217 524 D CA 0.121 54.160 54.000 0.066 0.000 0.897 524 D CB 0.890 41.696 40.800 0.009 0.000 1.132 524 D HN -0.142 nan 8.370 nan 0.000 0.493 525 K N 1.572 122.049 120.400 0.127 0.000 2.113 525 K HA -0.168 4.132 4.320 -0.033 0.000 0.208 525 K C 1.929 178.610 176.600 0.135 0.000 1.047 525 K CA 1.594 57.954 56.287 0.121 0.000 0.928 525 K CB -0.419 32.128 32.500 0.079 0.000 0.716 525 K HN 0.440 nan 8.250 nan 0.000 0.446 526 S N -0.479 115.305 115.700 0.141 0.000 2.501 526 S HA 0.034 4.484 4.470 -0.033 0.000 0.220 526 S C 1.810 176.518 174.600 0.180 0.000 0.997 526 S CA -0.118 58.158 58.200 0.128 0.000 0.919 526 S CB -0.411 62.846 63.200 0.097 0.000 0.778 526 S HN 0.323 nan 8.310 nan 0.000 0.523 527 F N 2.990 122.993 119.950 0.087 0.000 2.293 527 F HA 0.271 4.778 4.527 -0.033 0.000 0.297 527 F C 1.875 177.848 175.800 0.288 0.000 1.089 527 F CA 0.814 58.890 58.000 0.126 0.000 1.377 527 F CB -0.328 38.677 39.000 0.008 0.000 1.051 527 F HN 0.150 nan 8.300 nan 0.000 0.511 528 N N 0.371 119.258 118.700 0.312 0.000 2.550 528 N HA -0.112 4.608 4.740 -0.033 0.000 0.186 528 N C -0.413 175.191 175.510 0.157 0.000 1.110 528 N CA 0.601 53.806 53.050 0.258 0.000 0.912 528 N CB -0.313 38.316 38.487 0.237 0.000 0.968 528 N HN 0.323 nan 8.380 nan 0.000 0.448 529 D N 0.985 121.463 120.400 0.130 0.000 2.280 529 D HA 0.028 4.648 4.640 -0.033 0.000 0.236 529 D C 0.052 176.384 176.300 0.053 0.000 1.082 529 D CA -0.668 53.381 54.000 0.082 0.000 0.834 529 D CB 0.417 41.250 40.800 0.055 0.000 1.100 529 D HN 0.061 nan 8.370 nan 0.000 0.486 530 N N 2.843 121.574 118.700 0.053 0.000 3.127 530 N HA -0.089 4.631 4.740 -0.033 0.000 0.317 530 N C 0.540 176.002 175.510 -0.081 0.000 1.242 530 N CA -0.030 52.990 53.050 -0.049 0.000 1.203 530 N CB 0.111 38.611 38.487 0.022 0.000 1.462 530 N HN 0.310 nan 8.380 nan 0.000 0.546 531 S N -0.447 115.200 115.700 -0.088 0.000 2.425 531 S HA -0.057 4.393 4.470 -0.033 0.000 0.225 531 S C 0.731 175.287 174.600 -0.074 0.000 1.024 531 S CA 0.280 58.445 58.200 -0.059 0.000 0.951 531 S CB 0.072 63.252 63.200 -0.032 0.000 0.796 531 S HN 0.684 nan 8.310 nan 0.000 0.498 532 K N -0.292 120.035 120.400 -0.123 0.000 2.499 532 K HA 0.503 4.803 4.320 -0.033 0.000 0.277 532 K C -1.290 175.214 176.600 -0.160 0.000 1.025 532 K CA -1.061 55.167 56.287 -0.099 0.000 0.900 532 K CB 1.061 33.523 32.500 -0.063 0.000 1.494 532 K HN 0.196 nan 8.250 nan 0.000 0.442 533 I N 1.420 121.936 120.570 -0.091 0.000 2.529 533 I HA 0.192 4.342 4.170 -0.033 0.000 0.284 533 I C -0.682 175.379 176.117 -0.093 0.000 1.082 533 I CA -0.324 60.910 61.300 -0.111 0.000 1.406 533 I CB 0.411 38.386 38.000 -0.042 0.000 1.405 533 I HN 0.580 nan 8.210 nan 0.000 0.548 534 R N 7.250 127.644 120.500 -0.176 0.000 2.795 534 R HA 0.611 4.931 4.340 -0.033 0.000 0.275 534 R C -1.213 175.048 176.300 -0.065 0.000 0.981 534 R CA -0.916 55.134 56.100 -0.083 0.000 0.917 534 R CB 2.352 32.572 30.300 -0.132 0.000 1.202 534 R HN 0.618 nan 8.270 nan 0.000 0.469 535 M N 2.403 122.009 119.600 0.010 0.000 2.326 535 M HA 0.496 4.956 4.480 -0.033 0.000 0.306 535 M C -1.746 174.555 176.300 0.003 0.000 1.054 535 M CA -0.792 54.495 55.300 -0.021 0.000 0.922 535 M CB 1.576 34.187 32.600 0.019 0.000 1.632 535 M HN 0.545 nan 8.290 nan 0.000 0.436 536 I N 3.711 124.217 120.570 -0.106 0.000 2.448 536 I HA 0.358 4.508 4.170 -0.033 0.000 0.281 536 I C -0.495 175.649 176.117 0.045 0.000 1.027 536 I CA -0.202 61.053 61.300 -0.076 0.000 1.111 536 I CB 1.684 39.453 38.000 -0.386 0.000 1.236 536 I HN 0.661 nan 8.210 nan 0.000 0.452 537 E N 5.759 126.023 120.200 0.106 0.000 2.259 537 E HA 0.411 4.741 4.350 -0.033 0.000 0.281 537 E C -0.797 175.912 176.600 0.182 0.000 1.027 537 E CA -0.590 55.893 56.400 0.138 0.000 0.838 537 E CB 0.911 30.702 29.700 0.152 0.000 1.066 537 E HN 0.332 nan 8.360 nan 0.000 0.401 538 I N 4.551 125.252 120.570 0.218 0.000 2.336 538 I HA 0.210 4.360 4.170 -0.033 0.000 0.292 538 I C -0.116 176.098 176.117 0.162 0.000 0.991 538 I CA -0.746 60.698 61.300 0.239 0.000 1.227 538 I CB 1.061 39.239 38.000 0.297 0.000 1.366 538 I HN 0.511 nan 8.210 nan 0.000 0.466 539 M N 7.894 127.572 119.600 0.130 0.000 2.055 539 M HA 0.483 4.943 4.480 -0.033 0.000 0.347 539 M C -0.514 175.822 176.300 0.059 0.000 1.123 539 M CA -0.216 55.136 55.300 0.088 0.000 1.035 539 M CB 0.481 33.127 32.600 0.076 0.000 1.484 539 M HN 0.345 nan 8.290 nan 0.000 0.428 540 L N 4.971 126.226 121.223 0.054 0.000 2.354 540 L HA 0.672 4.992 4.340 -0.033 0.000 0.264 540 L C -2.231 174.648 176.870 0.015 0.000 1.008 540 L CA -2.013 52.847 54.840 0.034 0.000 0.819 540 L CB 2.327 44.418 42.059 0.052 0.000 1.339 540 L HN 0.368 nan 8.230 nan 0.000 0.420 541 P HA 0.151 nan 4.420 nan 0.000 0.278 541 P C 0.898 178.162 177.300 -0.060 0.000 1.238 541 P CA -0.512 62.579 63.100 -0.015 0.000 0.794 541 P CB 1.090 32.797 31.700 0.012 0.000 0.955 542 V N 1.829 121.646 119.914 -0.162 0.000 2.226 542 V HA -0.294 3.806 4.120 -0.033 0.000 0.254 542 V C 1.600 177.401 176.094 -0.488 0.000 1.065 542 V CA 2.138 64.198 62.300 -0.401 0.000 1.039 542 V CB -1.339 30.096 31.823 -0.646 0.000 0.653 542 V HN 0.493 nan 8.190 nan 0.000 0.450 543 F N -0.094 119.867 119.950 0.018 0.000 2.731 543 F HA 0.269 4.775 4.527 -0.034 0.000 0.304 543 F C 0.746 176.556 175.800 0.017 0.000 1.133 543 F CA -0.593 57.414 58.000 0.013 0.000 1.380 543 F CB -0.467 38.533 39.000 0.000 0.000 1.079 543 F HN 0.159 nan 8.300 nan 0.000 0.550 544 D N 1.044 121.514 120.400 0.118 0.000 2.264 544 D HA 0.575 5.195 4.640 -0.033 0.000 0.250 544 D C -0.404 175.956 176.300 0.100 0.000 1.113 544 D CA 0.071 54.132 54.000 0.101 0.000 0.871 544 D CB 0.980 41.823 40.800 0.071 0.000 1.167 544 D HN 0.166 nan 8.370 nan 0.000 0.447 545 A N 3.555 126.434 122.820 0.097 0.000 2.609 545 A HA 0.667 4.967 4.320 -0.033 0.000 0.291 545 A C -2.752 174.887 177.584 0.092 0.000 1.096 545 A CA -1.344 50.748 52.037 0.092 0.000 0.684 545 A CB 1.239 20.254 19.000 0.025 0.000 1.282 545 A HN 0.489 nan 8.150 nan 0.000 0.412 546 P HA 0.051 nan 4.420 nan 0.000 0.269 546 P C 0.581 177.900 177.300 0.030 0.000 1.209 546 P CA 0.093 63.251 63.100 0.096 0.000 0.776 546 P CB 0.600 32.326 31.700 0.044 0.000 0.876 547 Q N 3.101 122.926 119.800 0.042 0.000 2.118 547 Q HA -0.290 4.030 4.340 -0.033 0.000 0.211 547 Q C 1.683 177.679 176.000 -0.007 0.000 0.998 547 Q CA 2.600 58.413 55.803 0.017 0.000 0.872 547 Q CB -0.324 28.428 28.738 0.023 0.000 0.925 547 Q HN 0.616 nan 8.270 nan 0.000 0.414 548 N N -0.381 118.325 118.700 0.009 0.000 2.149 548 N HA -0.206 4.514 4.740 -0.033 0.000 0.188 548 N C 1.880 177.338 175.510 -0.087 0.000 1.019 548 N CA 1.041 54.105 53.050 0.023 0.000 0.857 548 N CB -0.317 38.245 38.487 0.124 0.000 0.997 548 N HN 0.208 nan 8.380 nan 0.000 0.426 549 L N 0.941 122.016 121.223 -0.246 0.000 2.395 549 L HA 0.142 4.462 4.340 -0.033 0.000 0.218 549 L C 1.786 178.483 176.870 -0.289 0.000 1.130 549 L CA 0.681 55.178 54.840 -0.572 0.000 0.826 549 L CB 0.007 41.652 42.059 -0.690 0.000 0.941 549 L HN 0.041 nan 8.230 nan 0.000 0.451 550 V N -0.859 118.963 119.914 -0.153 0.000 2.871 550 V HA -0.127 3.973 4.120 -0.033 0.000 0.256 550 V C 2.258 178.308 176.094 -0.073 0.000 1.082 550 V CA 1.344 63.594 62.300 -0.083 0.000 1.105 550 V CB -0.441 31.359 31.823 -0.038 0.000 0.713 550 V HN 0.433 nan 8.190 nan 0.000 0.473 551 K N -0.285 120.068 120.400 -0.077 0.000 2.214 551 K HA -0.021 4.279 4.320 -0.033 0.000 0.201 551 K C 2.151 178.714 176.600 -0.062 0.000 1.049 551 K CA 0.669 56.923 56.287 -0.055 0.000 0.978 551 K CB -0.000 32.478 32.500 -0.035 0.000 0.842 551 K HN 0.341 nan 8.250 nan 0.000 0.474 552 Q N 1.712 121.462 119.800 -0.083 0.000 2.124 552 Q HA -0.129 4.191 4.340 -0.033 0.000 0.202 552 Q C 1.858 177.812 176.000 -0.076 0.000 0.977 552 Q CA 1.886 57.650 55.803 -0.066 0.000 0.850 552 Q CB -0.250 28.448 28.738 -0.066 0.000 0.901 552 Q HN 0.249 nan 8.270 nan 0.000 0.429 553 A N 0.971 123.720 122.820 -0.118 0.000 1.929 553 A HA -0.392 3.908 4.320 -0.033 0.000 0.221 553 A C 1.914 179.469 177.584 -0.049 0.000 1.211 553 A CA 2.361 54.342 52.037 -0.094 0.000 0.657 553 A CB -0.790 18.156 19.000 -0.090 0.000 0.827 553 A HN 0.555 nan 8.150 nan 0.000 0.462 554 K N -1.239 119.133 120.400 -0.047 0.000 2.044 554 K HA -0.257 4.043 4.320 -0.033 0.000 0.224 554 K C 1.858 178.446 176.600 -0.020 0.000 1.056 554 K CA 1.985 58.253 56.287 -0.032 0.000 0.962 554 K CB -0.574 31.908 32.500 -0.029 0.000 0.730 554 K HN 0.442 nan 8.250 nan 0.000 0.453 555 L N 1.112 122.324 121.223 -0.018 0.000 2.179 555 L HA -0.005 4.315 4.340 -0.033 0.000 0.208 555 L C 1.275 178.144 176.870 -0.001 0.000 1.096 555 L CA 1.468 56.303 54.840 -0.008 0.000 0.779 555 L CB -0.726 41.328 42.059 -0.009 0.000 0.922 555 L HN 0.221 nan 8.230 nan 0.000 0.443 556 T N 0.000 114.551 114.554 -0.005 0.000 3.816 556 T HA 0.000 4.330 4.350 -0.033 0.000 0.228 556 T CA 0.000 62.104 62.100 0.006 0.000 1.349 556 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 556 T HN 0.000 nan 8.240 nan 0.000 0.658