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 2p1c_1_B DATA FIRST_RESID 1 DATA SEQUENCE MPMQMFMQVY DEIQMFLLEE LELKFDMDPN RVRYLRKMMD TTCLGGKYNR DATA SEQUENCE GLTVIDVAES LLSXXXXXXX XXXDGARRKR VLHDACVCGW MIEFLQAHYL DATA SEQUENCE VEDDIMDNSV TRRGKPCWYR HPDVTVQCAI NDGLLLKSWT HMMAMHFFAD DATA SEQUENCE RPFLQDLLCR FNRVDYTTAV GQLYDVTSMF DSNKLDPDVS QPTTTDFAEF DATA SEQUENCE TLSNYKRIVK YKTAYYTYLL PLVMGLIVSE ALPTVDMGVT EELAMLMGEY DATA SEQUENCE FQVQDDVMDC FTPPERLGKV GTDIQDAKCS WLAVTFLAKA SSAQVAEFKA DATA SEQUENCE NYGSGDSEKV ATVRRLYEEA DLQGDYVAYE AAVAEQVKEL IEKLRLCSPG DATA SEQUENCE FAASVETLWG KTYKRQK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.618 32.600 0.029 0.000 1.302 2 P HA -0.094 nan 4.420 nan 0.000 0.214 2 P C 1.597 178.927 177.300 0.050 0.000 1.163 2 P CA 1.757 64.864 63.100 0.012 0.000 0.883 2 P CB -0.272 31.404 31.700 -0.039 0.000 0.788 3 M N -0.578 119.047 119.600 0.042 0.000 2.108 3 M HA -0.208 4.273 4.480 0.001 0.000 0.261 3 M C 2.169 178.558 176.300 0.150 0.000 1.066 3 M CA 1.808 57.165 55.300 0.096 0.000 1.107 3 M CB -1.181 31.464 32.600 0.075 0.000 1.356 3 M HN -0.166 nan 8.290 nan 0.000 0.406 4 Q N -0.130 119.733 119.800 0.105 0.000 2.046 4 Q HA -0.212 4.128 4.340 0.001 0.000 0.200 4 Q C 2.230 178.297 176.000 0.112 0.000 0.975 4 Q CA 2.206 58.066 55.803 0.095 0.000 0.836 4 Q CB -0.510 28.269 28.738 0.068 0.000 0.896 4 Q HN 0.756 nan 8.270 nan 0.000 0.428 5 M N -0.666 119.006 119.600 0.119 0.000 2.296 5 M HA -0.136 4.345 4.480 0.001 0.000 0.265 5 M C 1.704 178.107 176.300 0.171 0.000 1.064 5 M CA 1.113 56.484 55.300 0.119 0.000 1.109 5 M CB -0.177 32.484 32.600 0.102 0.000 1.396 5 M HN 0.142 nan 8.290 nan 0.000 0.430 6 F N 1.220 121.196 119.950 0.042 0.000 2.163 6 F HA -0.077 4.451 4.527 0.001 0.000 0.297 6 F C 1.942 177.923 175.800 0.301 0.000 1.094 6 F CA 1.376 59.433 58.000 0.095 0.000 1.290 6 F CB -0.203 38.760 39.000 -0.062 0.000 1.017 6 F HN 0.099 nan 8.300 nan 0.000 0.483 7 M N -0.222 119.484 119.600 0.176 0.000 2.630 7 M HA -0.096 4.384 4.480 0.001 0.000 0.254 7 M C 1.693 178.034 176.300 0.069 0.000 1.092 7 M CA 1.106 56.463 55.300 0.095 0.000 1.087 7 M CB -0.876 31.764 32.600 0.066 0.000 1.453 7 M HN 0.360 nan 8.290 nan 0.000 0.509 8 Q N -0.965 118.869 119.800 0.058 0.000 2.259 8 Q HA 0.011 4.351 4.340 0.001 0.000 0.201 8 Q C 2.095 178.078 176.000 -0.028 0.000 0.938 8 Q CA 0.632 56.450 55.803 0.025 0.000 0.872 8 Q CB 0.405 29.170 28.738 0.044 0.000 0.971 8 Q HN 0.265 nan 8.270 nan 0.000 0.494 9 V N 0.603 120.486 119.914 -0.052 0.000 2.626 9 V HA -0.256 3.865 4.120 0.001 0.000 0.252 9 V C 1.845 177.760 176.094 -0.297 0.000 1.067 9 V CA 1.583 63.783 62.300 -0.168 0.000 1.081 9 V CB -0.631 31.024 31.823 -0.280 0.000 0.686 9 V HN 0.392 nan 8.190 nan 0.000 0.468 10 Y N 1.765 121.749 120.300 -0.527 0.000 2.053 10 Y HA -0.288 4.263 4.550 0.001 0.000 0.277 10 Y C 2.451 178.014 175.900 -0.562 0.000 1.159 10 Y CA 2.100 59.615 58.100 -0.975 0.000 1.125 10 Y CB -0.601 37.224 38.460 -1.059 0.000 0.969 10 Y HN 0.334 nan 8.280 nan 0.000 0.492 11 D N -0.007 120.143 120.400 -0.416 0.000 2.123 11 D HA -0.236 4.405 4.640 0.001 0.000 0.196 11 D C 2.036 178.161 176.300 -0.291 0.000 0.992 11 D CA 1.734 55.512 54.000 -0.370 0.000 0.833 11 D CB -0.356 40.357 40.800 -0.144 0.000 0.954 11 D HN 0.629 nan 8.370 nan 0.000 0.455 12 E N 0.356 120.449 120.200 -0.178 0.000 2.209 12 E HA -0.149 4.201 4.350 0.001 0.000 0.196 12 E C 2.204 178.796 176.600 -0.013 0.000 0.993 12 E CA 0.535 56.913 56.400 -0.036 0.000 0.819 12 E CB 0.059 29.804 29.700 0.074 0.000 0.745 12 E HN 0.300 nan 8.360 nan 0.000 0.477 13 I N 0.223 120.673 120.570 -0.199 0.000 2.585 13 I HA -0.176 3.995 4.170 0.001 0.000 0.254 13 I C 2.682 178.571 176.117 -0.380 0.000 1.129 13 I CA 0.617 61.796 61.300 -0.202 0.000 1.455 13 I CB -0.121 37.614 38.000 -0.442 0.000 1.111 13 I HN 0.180 nan 8.210 nan 0.000 0.433 14 Q N 1.033 120.479 119.800 -0.591 0.000 2.123 14 Q HA -0.225 4.116 4.340 0.001 0.000 0.199 14 Q C 2.343 178.093 176.000 -0.416 0.000 0.966 14 Q CA 1.440 56.874 55.803 -0.615 0.000 0.845 14 Q CB 0.043 28.329 28.738 -0.753 0.000 0.907 14 Q HN 0.426 nan 8.270 nan 0.000 0.439 15 M N -0.116 119.311 119.600 -0.289 0.000 2.059 15 M HA -0.176 4.305 4.480 0.001 0.000 0.259 15 M C 1.962 178.167 176.300 -0.158 0.000 1.072 15 M CA 1.802 56.995 55.300 -0.179 0.000 1.117 15 M CB -0.318 32.222 32.600 -0.101 0.000 1.320 15 M HN 0.409 nan 8.290 nan 0.000 0.408 16 F N 1.271 121.055 119.950 -0.277 0.000 2.091 16 F HA -0.270 4.258 4.527 0.001 0.000 0.299 16 F C 1.699 177.309 175.800 -0.317 0.000 1.103 16 F CA 1.894 59.697 58.000 -0.329 0.000 1.228 16 F CB -0.870 37.814 39.000 -0.527 0.000 0.984 16 F HN 0.149 nan 8.300 nan 0.000 0.477 17 L N -0.185 120.524 121.223 -0.856 0.000 1.970 17 L HA -0.261 4.079 4.340 0.001 0.000 0.212 17 L C 2.676 179.198 176.870 -0.580 0.000 1.071 17 L CA 1.673 55.950 54.840 -0.940 0.000 0.751 17 L CB -0.929 40.542 42.059 -0.979 0.000 0.889 17 L HN 0.239 nan 8.230 nan 0.000 0.432 18 L N -0.707 120.258 121.223 -0.429 0.000 2.093 18 L HA -0.177 4.163 4.340 0.001 0.000 0.208 18 L C 2.563 179.335 176.870 -0.163 0.000 1.085 18 L CA 1.163 55.854 54.840 -0.249 0.000 0.755 18 L CB -0.507 41.428 42.059 -0.206 0.000 0.904 18 L HN 0.314 nan 8.230 nan 0.000 0.435 19 E N -0.176 119.925 120.200 -0.165 0.000 2.204 19 E HA -0.253 4.097 4.350 0.001 0.000 0.194 19 E C 1.918 178.485 176.600 -0.054 0.000 0.989 19 E CA 0.871 57.222 56.400 -0.082 0.000 0.824 19 E CB 0.046 29.714 29.700 -0.053 0.000 0.756 19 E HN 0.512 nan 8.360 nan 0.000 0.477 20 E N 1.119 121.243 120.200 -0.127 0.000 2.072 20 E HA -0.140 4.210 4.350 0.001 0.000 0.190 20 E C 2.119 178.814 176.600 0.159 0.000 0.982 20 E CA 0.434 56.820 56.400 -0.022 0.000 0.803 20 E CB 0.053 29.639 29.700 -0.190 0.000 0.755 20 E HN 0.187 nan 8.360 nan 0.000 0.453 21 L N 0.768 122.040 121.223 0.082 0.000 2.265 21 L HA -0.146 4.194 4.340 0.001 0.000 0.215 21 L C 2.502 179.468 176.870 0.159 0.000 1.117 21 L CA 1.084 56.025 54.840 0.168 0.000 0.782 21 L CB -0.258 41.794 42.059 -0.013 0.000 0.914 21 L HN 0.235 nan 8.230 nan 0.000 0.441 22 E N 0.452 120.697 120.200 0.075 0.000 2.072 22 E HA -0.185 4.165 4.350 0.001 0.000 0.190 22 E C 2.017 178.650 176.600 0.054 0.000 0.982 22 E CA 1.174 57.606 56.400 0.052 0.000 0.803 22 E CB 0.157 29.869 29.700 0.019 0.000 0.755 22 E HN 0.553 nan 8.360 nan 0.000 0.453 23 L N -1.743 119.511 121.223 0.052 0.000 2.347 23 L HA 0.253 4.593 4.340 0.001 0.000 0.196 23 L C 1.926 178.794 176.870 -0.004 0.000 1.072 23 L CA 0.248 55.102 54.840 0.023 0.000 0.817 23 L CB -0.272 41.795 42.059 0.012 0.000 1.029 23 L HN -0.254 nan 8.230 nan 0.000 0.478 24 K N -0.396 119.996 120.400 -0.013 0.000 2.459 24 K HA 0.160 4.480 4.320 0.001 0.000 0.193 24 K C 0.684 177.013 176.600 -0.452 0.000 1.030 24 K CA 0.945 57.118 56.287 -0.191 0.000 1.026 24 K CB 0.074 32.455 32.500 -0.199 0.000 0.809 24 K HN 0.209 nan 8.250 nan 0.000 0.504 25 F N -0.005 119.942 119.950 -0.005 0.000 2.746 25 F HA 0.121 4.648 4.527 0.001 0.000 0.320 25 F C -0.208 175.594 175.800 0.003 0.000 1.097 25 F CA -0.579 57.422 58.000 0.001 0.000 1.195 25 F CB 0.622 39.625 39.000 0.005 0.000 1.056 25 F HN -0.079 nan 8.300 nan 0.000 0.562 26 D N 1.367 121.831 120.400 0.106 0.000 2.723 26 D HA -0.244 4.397 4.640 0.001 0.000 0.236 26 D C 0.195 176.543 176.300 0.081 0.000 1.138 26 D CA 0.558 54.599 54.000 0.067 0.000 0.676 26 D CB -0.663 40.159 40.800 0.037 0.000 1.069 26 D HN 0.229 nan 8.370 nan 0.000 0.430 27 M N 1.064 120.724 119.600 0.100 0.000 2.277 27 M HA 0.166 4.647 4.480 0.001 0.000 0.350 27 M C 0.029 176.361 176.300 0.054 0.000 1.180 27 M CA -0.633 54.715 55.300 0.079 0.000 1.103 27 M CB 0.692 33.344 32.600 0.087 0.000 1.577 27 M HN 0.107 nan 8.290 nan 0.000 0.459 28 D N 5.884 126.311 120.400 0.044 0.000 2.362 28 D HA 0.121 4.761 4.640 0.001 0.000 0.242 28 D C -2.089 174.234 176.300 0.040 0.000 1.132 28 D CA -1.354 52.667 54.000 0.036 0.000 0.907 28 D CB 0.478 41.295 40.800 0.029 0.000 1.195 28 D HN 0.421 nan 8.370 nan 0.000 0.429 29 P HA -0.220 nan 4.420 nan 0.000 0.218 29 P C 0.776 178.105 177.300 0.048 0.000 1.146 29 P CA 1.086 64.207 63.100 0.034 0.000 0.813 29 P CB 0.316 32.032 31.700 0.026 0.000 0.778 30 N N 0.402 119.133 118.700 0.052 0.000 2.135 30 N HA -0.072 4.668 4.740 0.001 0.000 0.186 30 N C 2.012 177.586 175.510 0.107 0.000 1.027 30 N CA 1.026 54.118 53.050 0.070 0.000 0.849 30 N CB -0.487 38.032 38.487 0.054 0.000 1.002 30 N HN 0.257 nan 8.380 nan 0.000 0.425 31 R N 0.712 121.265 120.500 0.089 0.000 2.148 31 R HA 0.025 4.365 4.340 0.001 0.000 0.227 31 R C 2.096 178.494 176.300 0.162 0.000 1.103 31 R CA 0.532 56.703 56.100 0.119 0.000 0.983 31 R CB -0.184 30.151 30.300 0.058 0.000 0.874 31 R HN 0.045 nan 8.270 nan 0.000 0.451 32 V N 0.831 120.808 119.914 0.105 0.000 2.626 32 V HA -0.193 3.928 4.120 0.001 0.000 0.252 32 V C 2.372 178.514 176.094 0.080 0.000 1.067 32 V CA 1.509 63.855 62.300 0.078 0.000 1.081 32 V CB -0.552 31.292 31.823 0.035 0.000 0.686 32 V HN 0.295 nan 8.190 nan 0.000 0.468 33 R N -0.818 119.744 120.500 0.103 0.000 2.075 33 R HA -0.148 4.192 4.340 0.001 0.000 0.226 33 R C 2.410 178.789 176.300 0.132 0.000 1.114 33 R CA 1.409 57.564 56.100 0.093 0.000 0.972 33 R CB -0.382 29.973 30.300 0.091 0.000 0.869 33 R HN 0.534 nan 8.270 nan 0.000 0.437 34 Y N 1.257 121.606 120.300 0.082 0.000 2.207 34 Y HA -0.170 4.380 4.550 0.001 0.000 0.287 34 Y C 1.733 177.726 175.900 0.155 0.000 1.156 34 Y CA 1.640 59.816 58.100 0.127 0.000 1.182 34 Y CB -0.074 38.457 38.460 0.118 0.000 0.979 34 Y HN 0.054 nan 8.280 nan 0.000 0.521 35 L N -0.279 121.101 121.223 0.262 0.000 2.179 35 L HA -0.102 4.239 4.340 0.001 0.000 0.208 35 L C 2.657 179.564 176.870 0.060 0.000 1.096 35 L CA 1.161 56.132 54.840 0.219 0.000 0.779 35 L CB -0.501 41.754 42.059 0.326 0.000 0.922 35 L HN 0.156 nan 8.230 nan 0.000 0.443 36 R N 1.010 121.514 120.500 0.007 0.000 2.075 36 R HA -0.195 4.146 4.340 0.001 0.000 0.232 36 R C 2.321 178.587 176.300 -0.057 0.000 1.126 36 R CA 1.525 57.589 56.100 -0.061 0.000 0.963 36 R CB -0.001 30.270 30.300 -0.048 0.000 0.858 36 R HN 0.166 nan 8.270 nan 0.000 0.435 37 K N 0.038 120.414 120.400 -0.040 0.000 2.097 37 K HA -0.115 4.206 4.320 0.001 0.000 0.205 37 K C 2.188 178.734 176.600 -0.090 0.000 1.050 37 K CA 1.201 57.476 56.287 -0.021 0.000 0.938 37 K CB -0.039 32.473 32.500 0.019 0.000 0.718 37 K HN 0.159 nan 8.250 nan 0.000 0.442 38 M N 0.848 120.309 119.600 -0.231 0.000 2.132 38 M HA -0.169 4.311 4.480 0.001 0.000 0.263 38 M C 1.996 177.979 176.300 -0.529 0.000 1.065 38 M CA 1.561 56.442 55.300 -0.698 0.000 1.122 38 M CB -0.308 31.926 32.600 -0.608 0.000 1.365 38 M HN 0.320 nan 8.290 nan 0.000 0.411 39 M N -0.036 119.433 119.600 -0.219 0.000 2.175 39 M HA -0.220 4.261 4.480 0.001 0.000 0.264 39 M C 1.000 177.220 176.300 -0.134 0.000 1.063 39 M CA 1.836 57.038 55.300 -0.163 0.000 1.119 39 M CB -0.342 32.152 32.600 -0.177 0.000 1.377 39 M HN 0.157 nan 8.290 nan 0.000 0.415 40 D N -0.573 119.787 120.400 -0.068 0.000 2.194 40 D HA -0.063 4.578 4.640 0.001 0.000 0.204 40 D C 1.790 178.082 176.300 -0.013 0.000 0.964 40 D CA 1.477 55.486 54.000 0.015 0.000 0.846 40 D CB -0.180 40.647 40.800 0.045 0.000 0.962 40 D HN 0.364 nan 8.370 nan 0.000 0.490 41 T N -0.253 114.264 114.554 -0.061 0.000 2.985 41 T HA -0.068 4.282 4.350 0.001 0.000 0.266 41 T C 2.037 176.702 174.700 -0.058 0.000 1.076 41 T CA 1.623 63.724 62.100 0.002 0.000 1.135 41 T CB 0.024 68.967 68.868 0.125 0.000 0.890 41 T HN 0.296 nan 8.240 nan 0.000 0.480 42 T N -1.863 112.556 114.554 -0.227 0.000 3.040 42 T HA 0.061 4.411 4.350 0.001 0.000 0.252 42 T C 2.045 176.675 174.700 -0.116 0.000 1.064 42 T CA 0.192 62.165 62.100 -0.212 0.000 1.110 42 T CB -0.623 67.994 68.868 -0.418 0.000 0.921 42 T HN 0.361 nan 8.240 nan 0.000 0.480 43 C N 1.020 120.246 119.300 -0.123 0.000 2.735 43 C HA 0.567 5.027 4.460 0.001 0.000 0.271 43 C C 0.704 175.817 174.990 0.205 0.000 1.281 43 C CA -0.678 58.335 59.018 -0.008 0.000 1.719 43 C CB -0.918 26.693 27.740 -0.216 0.000 2.024 43 C HN 0.508 nan 8.230 nan 0.000 0.566 44 L N -0.221 121.073 121.223 0.118 0.000 2.319 44 L HA 0.720 5.061 4.340 0.001 0.000 0.267 44 L C 1.082 178.024 176.870 0.120 0.000 1.011 44 L CA 0.398 55.364 54.840 0.211 0.000 0.818 44 L CB 1.317 43.432 42.059 0.095 0.000 1.316 44 L HN 0.288 nan 8.230 nan 0.000 0.432 45 G N 0.648 109.506 108.800 0.096 0.000 2.316 45 G HA2 -0.163 3.798 3.960 0.001 0.000 0.203 45 G HA3 -0.163 3.798 3.960 0.001 0.000 0.203 45 G C 0.394 175.221 174.900 -0.121 0.000 0.999 45 G CA -0.254 44.853 45.100 0.012 0.000 0.649 45 G HN 1.005 nan 8.290 nan 0.000 0.489 46 G N -0.347 108.276 108.800 -0.296 0.000 2.508 46 G HA2 0.514 4.474 3.960 0.001 0.000 0.278 46 G HA3 0.514 4.474 3.960 0.001 0.000 0.278 46 G C 0.613 175.088 174.900 -0.708 0.000 1.389 46 G CA 0.427 45.287 45.100 -0.400 0.000 1.050 46 G HN 0.197 nan 8.290 nan 0.000 0.522 47 K N -1.445 118.640 120.400 -0.524 0.000 2.358 47 K HA 0.215 4.536 4.320 0.001 0.000 0.197 47 K C -0.461 175.959 176.600 -0.300 0.000 1.025 47 K CA -0.493 55.569 56.287 -0.375 0.000 1.104 47 K CB -0.251 32.163 32.500 -0.143 0.000 0.855 47 K HN 0.450 nan 8.250 nan 0.000 0.531 48 Y N -0.586 119.696 120.300 -0.029 0.000 3.589 48 Y HA -0.325 4.226 4.550 0.001 0.000 0.218 48 Y C 0.671 176.454 175.900 -0.195 0.000 1.234 48 Y CA 0.146 58.184 58.100 -0.103 0.000 1.576 48 Y CB -2.879 35.522 38.460 -0.099 0.000 1.487 48 Y HN 0.197 nan 8.280 nan 0.000 0.616 49 N N 0.302 118.950 118.700 -0.087 0.000 2.244 49 N HA -0.086 4.655 4.740 0.001 0.000 0.183 49 N C 1.817 177.203 175.510 -0.206 0.000 1.016 49 N CA 1.403 54.362 53.050 -0.151 0.000 0.866 49 N CB -0.056 38.332 38.487 -0.165 0.000 0.980 49 N HN 0.637 nan 8.380 nan 0.000 0.430 50 R N 0.199 120.594 120.500 -0.175 0.000 2.062 50 R HA 0.032 4.373 4.340 0.001 0.000 0.226 50 R C 2.403 178.606 176.300 -0.162 0.000 1.125 50 R CA 1.104 57.102 56.100 -0.170 0.000 0.966 50 R CB -0.547 29.710 30.300 -0.070 0.000 0.861 50 R HN 0.152 nan 8.270 nan 0.000 0.433 51 G N 1.646 110.333 108.800 -0.190 0.000 2.453 51 G HA2 -0.237 3.723 3.960 0.001 0.000 0.215 51 G HA3 -0.237 3.723 3.960 0.001 0.000 0.215 51 G C 1.477 176.013 174.900 -0.608 0.000 1.201 51 G CA 0.507 45.392 45.100 -0.358 0.000 0.784 51 G HN 0.096 nan 8.290 nan 0.000 0.545 52 L N 0.573 121.375 121.223 -0.702 0.000 2.081 52 L HA -0.144 4.196 4.340 0.001 0.000 0.212 52 L C 3.189 179.866 176.870 -0.322 0.000 1.080 52 L CA 1.613 56.109 54.840 -0.574 0.000 0.754 52 L CB -0.773 41.046 42.059 -0.400 0.000 0.893 52 L HN 0.208 nan 8.230 nan 0.000 0.433 53 T N -0.647 113.759 114.554 -0.246 0.000 2.746 53 T HA -0.152 4.199 4.350 0.001 0.000 0.267 53 T C 1.996 176.624 174.700 -0.120 0.000 1.039 53 T CA 1.444 63.447 62.100 -0.162 0.000 1.142 53 T CB -0.244 68.527 68.868 -0.162 0.000 0.866 53 T HN 0.108 nan 8.240 nan 0.000 0.444 54 V N 1.787 121.625 119.914 -0.127 0.000 2.332 54 V HA -0.175 3.945 4.120 0.001 0.000 0.248 54 V C 2.372 178.424 176.094 -0.070 0.000 1.055 54 V CA 1.553 63.811 62.300 -0.070 0.000 1.038 54 V CB -0.814 30.980 31.823 -0.048 0.000 0.651 54 V HN 0.527 nan 8.190 nan 0.000 0.450 55 I N 0.385 120.881 120.570 -0.122 0.000 2.252 55 I HA -0.208 3.962 4.170 0.001 0.000 0.245 55 I C 2.344 178.424 176.117 -0.061 0.000 1.102 55 I CA 2.028 63.273 61.300 -0.091 0.000 1.385 55 I CB -0.563 37.350 38.000 -0.144 0.000 1.064 55 I HN 0.339 nan 8.210 nan 0.000 0.414 56 D N 1.107 121.461 120.400 -0.078 0.000 2.084 56 D HA -0.146 4.495 4.640 0.001 0.000 0.194 56 D C 2.228 178.524 176.300 -0.007 0.000 0.990 56 D CA 1.263 55.235 54.000 -0.046 0.000 0.826 56 D CB 0.078 40.842 40.800 -0.060 0.000 0.971 56 D HN 0.029 nan 8.370 nan 0.000 0.453 57 V N 0.907 120.826 119.914 0.008 0.000 2.282 57 V HA -0.285 3.835 4.120 0.001 0.000 0.249 57 V C 2.540 178.670 176.094 0.060 0.000 1.057 57 V CA 1.994 64.341 62.300 0.079 0.000 1.032 57 V CB -1.086 30.813 31.823 0.126 0.000 0.645 57 V HN 0.356 nan 8.190 nan 0.000 0.447 58 A N 0.916 123.745 122.820 0.015 0.000 1.851 58 A HA -0.280 4.040 4.320 0.001 0.000 0.216 58 A C 2.244 179.831 177.584 0.005 0.000 1.195 58 A CA 2.073 54.108 52.037 -0.004 0.000 0.622 58 A CB -0.679 18.311 19.000 -0.018 0.000 0.831 58 A HN 0.780 nan 8.150 nan 0.000 0.444 59 E N -0.591 119.614 120.200 0.007 0.000 2.338 59 E HA -0.073 4.278 4.350 0.001 0.000 0.197 59 E C 1.689 178.299 176.600 0.016 0.000 1.007 59 E CA 1.231 57.638 56.400 0.012 0.000 0.849 59 E CB -0.278 29.429 29.700 0.011 0.000 0.774 59 E HN 0.411 nan 8.360 nan 0.000 0.506 60 S N 0.400 116.115 115.700 0.024 0.000 2.461 60 S HA 0.115 4.585 4.470 0.001 0.000 0.228 60 S C 1.610 176.235 174.600 0.040 0.000 1.005 60 S CA 0.398 58.619 58.200 0.035 0.000 0.942 60 S CB 0.049 63.281 63.200 0.053 0.000 0.776 60 S HN 0.274 nan 8.310 nan 0.000 0.514 61 L N 1.214 122.456 121.223 0.031 0.000 2.616 61 L HA 0.249 4.589 4.340 0.001 0.000 0.229 61 L C -0.436 176.433 176.870 -0.002 0.000 1.110 61 L CA -0.123 54.724 54.840 0.012 0.000 0.884 61 L CB -0.058 41.992 42.059 -0.016 0.000 1.115 61 L HN 0.238 nan 8.230 nan 0.000 0.481 62 L N -1.730 119.495 121.223 0.004 0.000 2.448 62 L HA 0.398 4.739 4.340 0.001 0.000 0.278 62 L C 0.048 176.922 176.870 0.007 0.000 1.201 62 L CA 0.652 55.494 54.840 0.004 0.000 1.036 62 L CB -0.388 41.678 42.059 0.011 0.000 1.325 62 L HN -0.123 nan 8.230 nan 0.000 0.441 75 G N 1.261 110.071 108.800 0.018 0.000 3.947 75 G HA2 -0.462 3.499 3.960 0.001 0.000 0.365 75 G HA3 -0.462 3.499 3.960 0.001 0.000 0.365 75 G C 1.610 176.524 174.900 0.024 0.000 1.532 75 G CA 1.260 46.371 45.100 0.019 0.000 1.426 75 G HN 1.020 nan 8.290 nan 0.000 0.794 76 A N 0.137 122.971 122.820 0.023 0.000 2.014 76 A HA 0.165 4.486 4.320 0.001 0.000 0.218 76 A C 2.295 179.899 177.584 0.035 0.000 1.163 76 A CA 2.141 54.194 52.037 0.027 0.000 0.652 76 A CB -0.468 18.544 19.000 0.020 0.000 0.808 76 A HN 0.663 nan 8.150 nan 0.000 0.449 77 R N 0.105 120.624 120.500 0.031 0.000 2.103 77 R HA -0.208 4.132 4.340 0.001 0.000 0.242 77 R C 2.365 178.692 176.300 0.046 0.000 1.142 77 R CA 1.901 58.024 56.100 0.038 0.000 0.960 77 R CB -0.367 29.951 30.300 0.030 0.000 0.858 77 R HN 0.599 nan 8.270 nan 0.000 0.439 78 R N 1.308 121.832 120.500 0.041 0.000 2.070 78 R HA -0.165 4.176 4.340 0.001 0.000 0.233 78 R C 2.302 178.637 176.300 0.058 0.000 1.137 78 R CA 2.271 58.397 56.100 0.043 0.000 0.945 78 R CB -0.231 30.090 30.300 0.035 0.000 0.845 78 R HN 0.328 nan 8.270 nan 0.000 0.430 79 K N 0.089 120.526 120.400 0.062 0.000 2.283 79 K HA -0.128 4.192 4.320 0.001 0.000 0.202 79 K C 2.191 178.858 176.600 0.112 0.000 1.048 79 K CA 0.962 57.298 56.287 0.082 0.000 0.948 79 K CB -0.241 32.302 32.500 0.071 0.000 0.742 79 K HN 0.084 nan 8.250 nan 0.000 0.458 80 R N 1.602 122.159 120.500 0.096 0.000 2.061 80 R HA -0.098 4.242 4.340 0.001 0.000 0.230 80 R C 2.002 178.398 176.300 0.160 0.000 1.140 80 R CA 1.854 58.024 56.100 0.118 0.000 0.940 80 R CB -0.505 29.849 30.300 0.089 0.000 0.839 80 R HN 0.156 nan 8.270 nan 0.000 0.429 81 V N 2.065 122.052 119.914 0.120 0.000 2.392 81 V HA -0.252 3.869 4.120 0.001 0.000 0.249 81 V C 2.593 178.749 176.094 0.105 0.000 1.059 81 V CA 1.245 63.608 62.300 0.105 0.000 1.051 81 V CB -0.536 31.324 31.823 0.061 0.000 0.658 81 V HN 0.350 nan 8.190 nan 0.000 0.455 82 L N -0.504 120.782 121.223 0.106 0.000 2.083 82 L HA -0.176 4.164 4.340 0.001 0.000 0.209 82 L C 2.480 179.421 176.870 0.118 0.000 1.083 82 L CA 2.153 57.050 54.840 0.095 0.000 0.752 82 L CB -1.397 40.715 42.059 0.089 0.000 0.899 82 L HN 0.508 nan 8.230 nan 0.000 0.433 83 H N 0.013 119.130 119.070 0.078 0.000 2.363 83 H HA -0.131 4.426 4.556 0.001 0.000 0.301 83 H C 1.620 177.009 175.328 0.101 0.000 1.074 83 H CA 1.562 57.647 56.048 0.062 0.000 1.354 83 H CB 0.389 30.175 29.762 0.040 0.000 1.397 83 H HN 0.278 nan 8.280 nan 0.000 0.516 84 D N 0.502 121.095 120.400 0.322 0.000 2.149 84 D HA -0.107 4.533 4.640 0.001 0.000 0.198 84 D C 2.172 178.621 176.300 0.250 0.000 0.990 84 D CA 1.228 55.485 54.000 0.428 0.000 0.839 84 D CB -0.406 40.594 40.800 0.334 0.000 0.948 84 D HN 0.440 nan 8.370 nan 0.000 0.460 85 A N -0.052 122.840 122.820 0.119 0.000 1.969 85 A HA -0.147 4.173 4.320 0.001 0.000 0.218 85 A C 2.424 180.067 177.584 0.098 0.000 1.169 85 A CA 1.003 53.078 52.037 0.064 0.000 0.635 85 A CB -0.731 18.283 19.000 0.023 0.000 0.810 85 A HN 0.345 nan 8.150 nan 0.000 0.445 86 C N -1.350 118.009 119.300 0.098 0.000 2.457 86 C HA -0.008 4.452 4.460 0.001 0.000 0.278 86 C C 2.713 177.811 174.990 0.181 0.000 1.309 86 C CA 0.877 60.009 59.018 0.189 0.000 1.735 86 C CB -1.063 26.713 27.740 0.060 0.000 1.992 86 C HN 0.464 nan 8.230 nan 0.000 0.493 87 V N 0.053 119.996 119.914 0.049 0.000 2.295 87 V HA -0.260 3.861 4.120 0.001 0.000 0.246 87 V C 2.469 178.674 176.094 0.185 0.000 1.049 87 V CA 2.230 64.541 62.300 0.017 0.000 1.024 87 V CB -0.952 30.794 31.823 -0.128 0.000 0.648 87 V HN 0.653 nan 8.190 nan 0.000 0.447 88 C N 0.935 120.394 119.300 0.264 0.000 2.425 88 C HA -0.041 4.420 4.460 0.001 0.000 0.277 88 C C 2.957 178.060 174.990 0.189 0.000 1.280 88 C CA 0.692 59.836 59.018 0.210 0.000 1.744 88 C CB -1.723 26.098 27.740 0.134 0.000 1.989 88 C HN 0.691 nan 8.230 nan 0.000 0.491 89 G N -0.903 108.003 108.800 0.177 0.000 2.442 89 G HA2 -0.270 3.690 3.960 0.001 0.000 0.219 89 G HA3 -0.270 3.690 3.960 0.001 0.000 0.219 89 G C 1.346 176.350 174.900 0.173 0.000 1.141 89 G CA 0.599 45.786 45.100 0.145 0.000 0.763 89 G HN 0.704 nan 8.290 nan 0.000 0.554 90 W N 0.020 121.487 121.300 0.278 0.000 2.658 90 W HA 0.314 4.975 4.660 0.001 0.000 0.263 90 W C 2.776 179.390 176.519 0.159 0.000 1.274 90 W CA -0.170 57.284 57.345 0.182 0.000 1.343 90 W CB 0.012 29.403 29.460 -0.115 0.000 1.106 90 W HN 0.095 nan 8.180 nan 0.000 0.615 91 M N -0.328 119.439 119.600 0.278 0.000 2.175 91 M HA -0.179 4.302 4.480 0.001 0.000 0.264 91 M C 1.730 178.310 176.300 0.467 0.000 1.063 91 M CA 1.693 57.118 55.300 0.209 0.000 1.119 91 M CB -0.454 32.113 32.600 -0.055 0.000 1.377 91 M HN 0.006 nan 8.290 nan 0.000 0.415 92 I N -0.707 120.135 120.570 0.453 0.000 2.406 92 I HA -0.177 3.993 4.170 0.001 0.000 0.249 92 I C 2.289 178.645 176.117 0.399 0.000 1.122 92 I CA 0.698 62.260 61.300 0.437 0.000 1.431 92 I CB -0.507 37.696 38.000 0.338 0.000 1.087 92 I HN 0.197 nan 8.210 nan 0.000 0.424 93 E N 0.924 121.382 120.200 0.430 0.000 2.077 93 E HA -0.185 4.165 4.350 0.001 0.000 0.193 93 E C 2.145 179.055 176.600 0.517 0.000 0.989 93 E CA 1.497 58.176 56.400 0.465 0.000 0.800 93 E CB -0.327 29.690 29.700 0.528 0.000 0.746 93 E HN 0.387 nan 8.360 nan 0.000 0.452 94 F N 0.529 120.690 119.950 0.353 0.000 2.186 94 F HA -0.113 4.415 4.527 0.001 0.000 0.299 94 F C 2.273 178.164 175.800 0.152 0.000 1.090 94 F CA 0.435 58.604 58.000 0.282 0.000 1.307 94 F CB -0.578 38.602 39.000 0.301 0.000 1.019 94 F HN 0.040 nan 8.300 nan 0.000 0.489 95 L N 0.228 121.628 121.223 0.296 0.000 2.056 95 L HA -0.195 4.145 4.340 0.001 0.000 0.207 95 L C 2.412 179.111 176.870 -0.285 0.000 1.078 95 L CA 1.792 56.590 54.840 -0.069 0.000 0.749 95 L CB -1.120 40.915 42.059 -0.041 0.000 0.901 95 L HN 0.191 nan 8.230 nan 0.000 0.433 96 Q N -0.264 119.569 119.800 0.055 0.000 2.124 96 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 96 Q C 2.065 178.147 176.000 0.136 0.000 0.977 96 Q CA 2.003 57.929 55.803 0.203 0.000 0.850 96 Q CB -0.393 28.548 28.738 0.339 0.000 0.901 96 Q HN 0.554 nan 8.270 nan 0.000 0.429 97 A N -0.607 122.268 122.820 0.092 0.000 1.969 97 A HA -0.178 4.142 4.320 0.001 0.000 0.218 97 A C 1.935 179.507 177.584 -0.020 0.000 1.169 97 A CA 1.605 53.654 52.037 0.019 0.000 0.635 97 A CB -0.944 18.015 19.000 -0.069 0.000 0.810 97 A HN 0.721 nan 8.150 nan 0.000 0.445 98 H N -1.704 117.288 119.070 -0.131 0.000 2.299 98 H HA -0.158 4.398 4.556 0.001 0.000 0.302 98 H C 1.745 177.030 175.328 -0.072 0.000 1.078 98 H CA 2.220 58.171 56.048 -0.162 0.000 1.323 98 H CB -0.373 29.228 29.762 -0.268 0.000 1.381 98 H HN 0.457 nan 8.280 nan 0.000 0.498 99 Y N 0.625 120.840 120.300 -0.142 0.000 2.145 99 Y HA -0.162 4.388 4.550 0.001 0.000 0.286 99 Y C 2.717 178.544 175.900 -0.122 0.000 1.145 99 Y CA 1.256 59.244 58.100 -0.186 0.000 1.148 99 Y CB -0.860 37.532 38.460 -0.115 0.000 0.981 99 Y HN 0.206 nan 8.280 nan 0.000 0.507 100 L N -1.023 120.281 121.223 0.134 0.000 2.127 100 L HA -0.198 4.143 4.340 0.001 0.000 0.211 100 L C 2.161 179.073 176.870 0.069 0.000 1.089 100 L CA 0.932 55.835 54.840 0.106 0.000 0.757 100 L CB -0.819 41.313 42.059 0.121 0.000 0.899 100 L HN 0.130 nan 8.230 nan 0.000 0.434 101 V N -0.794 119.130 119.914 0.016 0.000 2.346 101 V HA -0.152 3.969 4.120 0.001 0.000 0.244 101 V C 2.409 178.501 176.094 -0.003 0.000 1.037 101 V CA 1.364 63.696 62.300 0.052 0.000 1.029 101 V CB -0.425 31.399 31.823 0.002 0.000 0.663 101 V HN 0.387 nan 8.190 nan 0.000 0.454 102 E N 0.250 120.391 120.200 -0.098 0.000 2.208 102 E HA -0.215 4.136 4.350 0.001 0.000 0.193 102 E C 1.863 178.415 176.600 -0.081 0.000 0.988 102 E CA 1.394 57.725 56.400 -0.116 0.000 0.828 102 E CB -0.238 29.344 29.700 -0.196 0.000 0.763 102 E HN 0.693 nan 8.360 nan 0.000 0.478 103 D N 0.896 121.275 120.400 -0.036 0.000 2.194 103 D HA -0.115 4.526 4.640 0.001 0.000 0.204 103 D C 1.326 177.615 176.300 -0.017 0.000 0.964 103 D CA 0.802 54.795 54.000 -0.011 0.000 0.846 103 D CB 0.169 40.989 40.800 0.034 0.000 0.962 103 D HN -0.079 nan 8.370 nan 0.000 0.490 104 D N -0.275 120.126 120.400 0.002 0.000 2.183 104 D HA -0.052 4.589 4.640 0.001 0.000 0.203 104 D C 2.144 178.316 176.300 -0.212 0.000 0.969 104 D CA 0.467 54.490 54.000 0.038 0.000 0.842 104 D CB 0.064 40.999 40.800 0.225 0.000 0.957 104 D HN 0.388 nan 8.370 nan 0.000 0.484 105 I N 0.216 120.532 120.570 -0.424 0.000 2.286 105 I HA -0.199 3.972 4.170 0.001 0.000 0.245 105 I C 2.412 178.336 176.117 -0.322 0.000 1.104 105 I CA 0.719 61.595 61.300 -0.705 0.000 1.397 105 I CB -0.146 37.574 38.000 -0.467 0.000 1.072 105 I HN -0.069 nan 8.210 nan 0.000 0.417 106 M N 0.207 119.706 119.600 -0.169 0.000 2.099 106 M HA -0.174 4.307 4.480 0.001 0.000 0.262 106 M C 0.951 177.220 176.300 -0.051 0.000 1.067 106 M CA 1.604 56.855 55.300 -0.082 0.000 1.124 106 M CB -0.267 32.306 32.600 -0.046 0.000 1.353 106 M HN 0.109 nan 8.290 nan 0.000 0.410 107 D N 0.029 120.406 120.400 -0.039 0.000 2.319 107 D HA 0.021 4.661 4.640 0.001 0.000 0.230 107 D C -0.130 176.179 176.300 0.015 0.000 1.094 107 D CA 0.185 54.182 54.000 -0.004 0.000 0.856 107 D CB -0.820 39.989 40.800 0.015 0.000 0.915 107 D HN 0.274 nan 8.370 nan 0.000 0.517 108 N N 0.672 119.369 118.700 -0.004 0.000 2.700 108 N HA -0.217 4.523 4.740 0.001 0.000 0.265 108 N C -0.795 174.814 175.510 0.166 0.000 0.975 108 N CA 0.270 53.372 53.050 0.087 0.000 0.800 108 N CB -0.639 37.893 38.487 0.075 0.000 0.908 108 N HN -0.099 nan 8.380 nan 0.000 0.551 109 S N -1.031 114.796 115.700 0.211 0.000 2.681 109 S HA 0.504 4.975 4.470 0.001 0.000 0.270 109 S C 1.619 176.346 174.600 0.213 0.000 1.209 109 S CA -0.313 57.995 58.200 0.180 0.000 0.988 109 S CB 1.625 64.917 63.200 0.152 0.000 1.006 109 S HN 0.385 nan 8.310 nan 0.000 0.558 110 V N -2.181 117.795 119.914 0.103 0.000 3.090 110 V HA 0.328 4.449 4.120 0.001 0.000 0.237 110 V C 0.467 176.570 176.094 0.015 0.000 1.209 110 V CA 0.226 62.541 62.300 0.025 0.000 1.209 110 V CB -0.429 31.391 31.823 -0.004 0.000 0.971 110 V HN 0.643 nan 8.190 nan 0.000 0.477 111 T N 1.976 116.555 114.554 0.040 0.000 2.887 111 T HA 0.802 5.153 4.350 0.001 0.000 0.288 111 T C -0.895 173.849 174.700 0.073 0.000 1.021 111 T CA -0.303 61.822 62.100 0.040 0.000 1.000 111 T CB 2.464 71.342 68.868 0.017 0.000 1.034 111 T HN 0.494 nan 8.240 nan 0.000 0.467 112 R N 1.346 121.898 120.500 0.087 0.000 2.515 112 R HA 0.497 4.838 4.340 0.001 0.000 0.291 112 R C -0.308 176.043 176.300 0.084 0.000 1.046 112 R CA -0.648 55.511 56.100 0.099 0.000 0.914 112 R CB 0.365 30.752 30.300 0.144 0.000 1.191 112 R HN 0.670 nan 8.270 nan 0.000 0.435 113 R N 3.296 123.831 120.500 0.059 0.000 3.627 113 R HA -0.268 4.073 4.340 0.001 0.000 0.281 113 R C 0.773 177.096 176.300 0.038 0.000 1.140 113 R CA 1.149 57.274 56.100 0.041 0.000 0.761 113 R CB -1.774 28.551 30.300 0.042 0.000 1.181 113 R HN 1.223 nan 8.270 nan 0.000 0.472 114 G N -0.648 108.172 108.800 0.034 0.000 2.729 114 G HA2 -0.423 3.538 3.960 0.001 0.000 0.216 114 G HA3 -0.423 3.538 3.960 0.001 0.000 0.216 114 G C 0.008 174.923 174.900 0.024 0.000 1.252 114 G CA 0.361 45.476 45.100 0.025 0.000 0.751 114 G HN 0.442 nan 8.290 nan 0.000 0.527 115 K N 3.083 123.510 120.400 0.045 0.000 2.126 115 K HA 0.653 4.974 4.320 0.001 0.000 0.257 115 K C -2.322 174.300 176.600 0.036 0.000 1.007 115 K CA -1.978 54.332 56.287 0.037 0.000 0.928 115 K CB 0.364 32.920 32.500 0.093 0.000 1.013 115 K HN 0.346 nan 8.250 nan 0.000 0.473 116 P HA -0.015 nan 4.420 nan 0.000 0.268 116 P C -0.341 177.013 177.300 0.090 0.000 1.205 116 P CA -0.428 62.632 63.100 -0.067 0.000 0.771 116 P CB 0.446 32.007 31.700 -0.232 0.000 0.858 117 C N 3.205 122.568 119.300 0.105 0.000 2.674 117 C HA -0.099 4.361 4.460 0.001 0.000 0.405 117 C C 2.249 177.468 174.990 0.382 0.000 1.285 117 C CA -0.327 58.838 59.018 0.246 0.000 1.845 117 C CB -1.303 26.592 27.740 0.258 0.000 2.689 117 C HN 0.773 nan 8.230 nan 0.000 0.643 118 W N 2.003 123.442 121.300 0.231 0.000 2.318 118 W HA -0.206 4.455 4.660 0.001 0.000 0.313 118 W C 2.087 178.701 176.519 0.158 0.000 1.221 118 W CA 2.293 59.686 57.345 0.080 0.000 1.266 118 W CB -0.466 28.987 29.460 -0.013 0.000 1.150 118 W HN 1.000 nan 8.180 nan 0.000 0.496 119 Y N 0.590 120.933 120.300 0.071 0.000 2.509 119 Y HA 0.128 4.679 4.550 0.001 0.000 0.293 119 Y C 2.015 177.893 175.900 -0.037 0.000 1.133 119 Y CA 0.844 58.925 58.100 -0.032 0.000 1.283 119 Y CB -1.231 37.264 38.460 0.060 0.000 1.001 119 Y HN -0.256 nan 8.280 nan 0.000 0.555 120 R N 0.299 120.442 120.500 -0.596 0.000 2.276 120 R HA 0.048 4.389 4.340 0.001 0.000 0.196 120 R C -0.078 176.064 176.300 -0.263 0.000 0.961 120 R CA 0.145 55.914 56.100 -0.551 0.000 1.024 120 R CB -0.701 29.293 30.300 -0.509 0.000 0.940 120 R HN 0.529 nan 8.270 nan 0.000 0.480 121 H N 1.329 120.185 119.070 -0.357 0.000 3.001 121 H HA -0.026 4.531 4.556 0.001 0.000 0.334 121 H C -1.338 173.834 175.328 -0.261 0.000 1.034 121 H CA -0.952 54.900 56.048 -0.326 0.000 1.420 121 H CB 0.966 30.410 29.762 -0.529 0.000 1.405 121 H HN -0.148 nan 8.280 nan 0.000 0.593 122 P HA -0.193 nan 4.420 nan 0.000 0.217 122 P C 0.840 178.103 177.300 -0.063 0.000 1.162 122 P CA 2.315 65.361 63.100 -0.090 0.000 0.901 122 P CB 0.063 31.716 31.700 -0.079 0.000 0.793 123 D N -1.450 118.921 120.400 -0.048 0.000 2.424 123 D HA 0.279 4.919 4.640 0.001 0.000 0.220 123 D C 0.072 176.359 176.300 -0.021 0.000 1.150 123 D CA -0.098 53.891 54.000 -0.017 0.000 0.831 123 D CB -0.212 40.606 40.800 0.030 0.000 0.981 123 D HN -0.017 nan 8.370 nan 0.000 0.500 124 V N 2.482 122.325 119.914 -0.117 0.000 2.311 124 V HA 0.409 4.530 4.120 0.001 0.000 0.275 124 V C 0.856 176.901 176.094 -0.081 0.000 1.022 124 V CA -0.602 61.600 62.300 -0.163 0.000 0.830 124 V CB 0.521 31.963 31.823 -0.636 0.000 1.012 124 V HN 0.523 nan 8.190 nan 0.000 0.452 125 T N 1.971 116.521 114.554 -0.007 0.000 2.898 125 T HA 0.292 4.643 4.350 0.001 0.000 0.301 125 T C 1.369 176.109 174.700 0.066 0.000 1.049 125 T CA -0.472 61.640 62.100 0.020 0.000 1.095 125 T CB 1.540 70.418 68.868 0.016 0.000 0.976 125 T HN 0.187 nan 8.240 nan 0.000 0.539 126 V N 2.494 122.465 119.914 0.094 0.000 2.287 126 V HA -0.232 3.888 4.120 0.001 0.000 0.248 126 V C 3.119 179.272 176.094 0.099 0.000 1.053 126 V CA 2.081 64.463 62.300 0.137 0.000 1.027 126 V CB -1.169 30.733 31.823 0.132 0.000 0.646 126 V HN 1.027 nan 8.190 nan 0.000 0.447 127 Q N -0.114 119.726 119.800 0.067 0.000 2.170 127 Q HA -0.265 4.076 4.340 0.001 0.000 0.203 127 Q C 2.330 178.369 176.000 0.066 0.000 0.976 127 Q CA 2.481 58.315 55.803 0.052 0.000 0.858 127 Q CB -1.307 27.450 28.738 0.032 0.000 0.907 127 Q HN 0.620 nan 8.270 nan 0.000 0.433 128 C N 0.815 120.163 119.300 0.080 0.000 2.486 128 C HA 0.254 4.714 4.460 0.001 0.000 0.279 128 C C 3.014 178.128 174.990 0.207 0.000 1.302 128 C CA 0.918 59.999 59.018 0.107 0.000 1.720 128 C CB -1.096 26.693 27.740 0.081 0.000 2.030 128 C HN 0.674 nan 8.230 nan 0.000 0.490 129 A N 0.837 123.803 122.820 0.244 0.000 1.883 129 A HA -0.143 4.178 4.320 0.001 0.000 0.217 129 A C 2.036 179.770 177.584 0.249 0.000 1.186 129 A CA 2.138 54.405 52.037 0.383 0.000 0.624 129 A CB -0.763 18.446 19.000 0.348 0.000 0.822 129 A HN 0.659 nan 8.150 nan 0.000 0.444 130 I N -0.402 120.253 120.570 0.141 0.000 2.163 130 I HA -0.292 3.879 4.170 0.001 0.000 0.243 130 I C 2.437 178.592 176.117 0.063 0.000 1.085 130 I CA 1.945 63.288 61.300 0.072 0.000 1.347 130 I CB -0.504 37.522 38.000 0.044 0.000 1.044 130 I HN 0.460 nan 8.210 nan 0.000 0.408 131 N N 0.833 119.573 118.700 0.067 0.000 2.244 131 N HA -0.188 4.552 4.740 0.001 0.000 0.183 131 N C 1.448 176.962 175.510 0.007 0.000 1.016 131 N CA 1.270 54.339 53.050 0.032 0.000 0.866 131 N CB -0.026 38.476 38.487 0.025 0.000 0.980 131 N HN 0.198 nan 8.380 nan 0.000 0.430 132 D N -0.767 119.672 120.400 0.066 0.000 2.144 132 D HA -0.060 4.581 4.640 0.001 0.000 0.199 132 D C 1.795 178.028 176.300 -0.113 0.000 0.984 132 D CA 1.224 55.227 54.000 0.004 0.000 0.834 132 D CB -0.670 40.228 40.800 0.164 0.000 0.955 132 D HN 0.461 nan 8.370 nan 0.000 0.465 133 G N 0.618 109.399 108.800 -0.031 0.000 2.408 133 G HA2 -0.157 3.804 3.960 0.001 0.000 0.217 133 G HA3 -0.157 3.804 3.960 0.001 0.000 0.217 133 G C 1.783 176.785 174.900 0.169 0.000 1.150 133 G CA 0.138 45.237 45.100 -0.002 0.000 0.776 133 G HN 0.248 nan 8.290 nan 0.000 0.542 134 L N -0.182 121.085 121.223 0.073 0.000 2.156 134 L HA 0.091 4.432 4.340 0.001 0.000 0.208 134 L C 2.794 179.581 176.870 -0.138 0.000 1.095 134 L CA 0.266 55.129 54.840 0.038 0.000 0.770 134 L CB -0.286 41.782 42.059 0.015 0.000 0.914 134 L HN 0.165 nan 8.230 nan 0.000 0.439 135 L N -0.561 120.501 121.223 -0.269 0.000 2.056 135 L HA -0.213 4.127 4.340 0.001 0.000 0.207 135 L C 2.481 178.844 176.870 -0.846 0.000 1.078 135 L CA 1.145 55.613 54.840 -0.619 0.000 0.749 135 L CB -0.327 41.309 42.059 -0.706 0.000 0.901 135 L HN 0.255 nan 8.230 nan 0.000 0.433 136 L N -0.323 120.608 121.223 -0.487 0.000 2.083 136 L HA -0.253 4.087 4.340 0.001 0.000 0.209 136 L C 2.679 179.572 176.870 0.038 0.000 1.083 136 L CA 1.313 56.069 54.840 -0.139 0.000 0.752 136 L CB -0.434 41.603 42.059 -0.036 0.000 0.899 136 L HN 0.257 nan 8.230 nan 0.000 0.433 137 K N -0.383 119.946 120.400 -0.119 0.000 2.062 137 K HA -0.111 4.209 4.320 0.001 0.000 0.205 137 K C 2.267 178.845 176.600 -0.038 0.000 1.051 137 K CA 1.283 57.445 56.287 -0.208 0.000 0.941 137 K CB 0.114 32.270 32.500 -0.574 0.000 0.719 137 K HN 0.137 nan 8.250 nan 0.000 0.440 138 S N 0.351 116.009 115.700 -0.070 0.000 2.383 138 S HA -0.144 4.326 4.470 0.001 0.000 0.229 138 S C 1.349 176.038 174.600 0.147 0.000 1.030 138 S CA 1.064 59.284 58.200 0.034 0.000 1.002 138 S CB -0.253 62.860 63.200 -0.144 0.000 0.829 138 S HN 0.424 nan 8.310 nan 0.000 0.467 139 W N 2.201 123.544 121.300 0.072 0.000 2.392 139 W HA -0.066 4.594 4.660 0.001 0.000 0.279 139 W C 2.783 179.283 176.519 -0.032 0.000 1.225 139 W CA 1.399 58.771 57.345 0.046 0.000 1.233 139 W CB -1.844 27.717 29.460 0.169 0.000 1.122 139 W HN 0.506 nan 8.180 nan 0.000 0.561 140 T N -3.019 111.632 114.554 0.162 0.000 2.788 140 T HA -0.223 4.127 4.350 0.001 0.000 0.268 140 T C 1.481 176.083 174.700 -0.163 0.000 1.044 140 T CA 1.828 63.890 62.100 -0.063 0.000 1.139 140 T CB -0.709 68.115 68.868 -0.073 0.000 0.867 140 T HN 0.237 nan 8.240 nan 0.000 0.454 141 H N 0.369 119.492 119.070 0.089 0.000 2.403 141 H HA 0.207 4.763 4.556 0.001 0.000 0.298 141 H C 2.428 177.821 175.328 0.109 0.000 1.059 141 H CA 1.301 57.398 56.048 0.080 0.000 1.363 141 H CB -0.133 29.688 29.762 0.098 0.000 1.410 141 H HN 0.161 nan 8.280 nan 0.000 0.528 142 M N 0.562 120.319 119.600 0.262 0.000 2.086 142 M HA -0.145 4.336 4.480 0.001 0.000 0.261 142 M C 2.451 178.912 176.300 0.269 0.000 1.067 142 M CA 1.561 57.019 55.300 0.264 0.000 1.116 142 M CB -0.937 31.825 32.600 0.270 0.000 1.348 142 M HN 0.492 nan 8.290 nan 0.000 0.407 143 M N -0.938 118.772 119.600 0.183 0.000 2.175 143 M HA 0.045 4.526 4.480 0.001 0.000 0.264 143 M C 2.238 178.588 176.300 0.084 0.000 1.063 143 M CA 1.822 57.224 55.300 0.169 0.000 1.119 143 M CB -0.954 31.658 32.600 0.020 0.000 1.377 143 M HN 0.074 nan 8.290 nan 0.000 0.415 144 A N 1.266 124.097 122.820 0.019 0.000 1.841 144 A HA -0.172 4.149 4.320 0.001 0.000 0.216 144 A C 2.275 179.881 177.584 0.037 0.000 1.199 144 A CA 2.302 54.336 52.037 -0.005 0.000 0.621 144 A CB -0.822 18.246 19.000 0.114 0.000 0.835 144 A HN 0.597 nan 8.150 nan 0.000 0.445 145 M N -0.899 118.771 119.600 0.116 0.000 2.149 145 M HA -0.172 4.309 4.480 0.001 0.000 0.261 145 M C 2.005 178.307 176.300 0.003 0.000 1.064 145 M CA 2.144 57.504 55.300 0.099 0.000 1.102 145 M CB -0.662 32.011 32.600 0.121 0.000 1.369 145 M HN 0.672 nan 8.290 nan 0.000 0.408 146 H N -1.008 117.964 119.070 -0.163 0.000 2.293 146 H HA -0.153 4.403 4.556 0.001 0.000 0.300 146 H C 1.520 176.523 175.328 -0.541 0.000 1.082 146 H CA 2.296 58.072 56.048 -0.454 0.000 1.308 146 H CB -0.235 29.008 29.762 -0.864 0.000 1.375 146 H HN 0.436 nan 8.280 nan 0.000 0.495 147 F N -0.521 119.232 119.950 -0.328 0.000 2.473 147 F HA 0.016 4.543 4.527 0.001 0.000 0.294 147 F C 1.202 176.844 175.800 -0.263 0.000 1.103 147 F CA 0.284 58.042 58.000 -0.404 0.000 1.442 147 F CB 0.115 38.795 39.000 -0.533 0.000 1.097 147 F HN 0.070 nan 8.300 nan 0.000 0.547 148 F N -0.936 119.093 119.950 0.132 0.000 2.708 148 F HA 0.439 4.967 4.527 0.001 0.000 0.300 148 F C 1.682 177.440 175.800 -0.068 0.000 1.118 148 F CA -0.855 57.161 58.000 0.027 0.000 1.307 148 F CB -1.312 37.749 39.000 0.101 0.000 0.986 148 F HN -0.106 nan 8.300 nan 0.000 0.522 149 A N -0.501 122.348 122.820 0.049 0.000 2.216 149 A HA -0.080 4.241 4.320 0.001 0.000 0.214 149 A C 1.554 179.113 177.584 -0.040 0.000 1.160 149 A CA 1.632 53.663 52.037 -0.010 0.000 0.725 149 A CB -0.382 18.578 19.000 -0.068 0.000 0.784 149 A HN 0.205 nan 8.150 nan 0.000 0.472 150 D N -1.224 119.146 120.400 -0.051 0.000 2.470 150 D HA 0.113 4.754 4.640 0.001 0.000 0.238 150 D C 0.342 176.552 176.300 -0.149 0.000 1.054 150 D CA 0.162 54.113 54.000 -0.083 0.000 0.896 150 D CB -0.020 40.738 40.800 -0.070 0.000 1.118 150 D HN 0.162 nan 8.370 nan 0.000 0.497 151 R N 1.706 122.058 120.500 -0.245 0.000 2.484 151 R HA 0.124 4.465 4.340 0.001 0.000 0.293 151 R C -1.565 174.399 176.300 -0.561 0.000 1.023 151 R CA -0.620 55.132 56.100 -0.580 0.000 1.037 151 R CB 0.243 29.764 30.300 -1.298 0.000 0.951 151 R HN 0.001 nan 8.270 nan 0.000 0.418 152 P HA -0.187 nan 4.420 nan 0.000 0.216 152 P C 0.524 177.751 177.300 -0.121 0.000 1.150 152 P CA 1.115 64.103 63.100 -0.186 0.000 0.837 152 P CB -0.012 31.634 31.700 -0.090 0.000 0.786 153 F N -1.395 118.534 119.950 -0.034 0.000 2.641 153 F HA 0.045 4.572 4.527 0.001 0.000 0.298 153 F C 1.642 177.419 175.800 -0.038 0.000 1.146 153 F CA -0.099 57.874 58.000 -0.046 0.000 1.464 153 F CB -1.775 37.173 39.000 -0.087 0.000 1.101 153 F HN -0.205 nan 8.300 nan 0.000 0.585 154 L N 1.167 122.406 121.223 0.026 0.000 2.021 154 L HA -0.265 4.075 4.340 0.001 0.000 0.215 154 L C 2.646 179.621 176.870 0.175 0.000 1.074 154 L CA 2.234 57.158 54.840 0.140 0.000 0.760 154 L CB -1.305 40.776 42.059 0.036 0.000 0.889 154 L HN 0.505 nan 8.230 nan 0.000 0.433 155 Q N -1.105 118.767 119.800 0.120 0.000 2.020 155 Q HA -0.271 4.070 4.340 0.001 0.000 0.202 155 Q C 2.009 178.091 176.000 0.136 0.000 0.982 155 Q CA 2.189 58.060 55.803 0.115 0.000 0.838 155 Q CB -0.196 28.590 28.738 0.079 0.000 0.899 155 Q HN 0.646 nan 8.270 nan 0.000 0.423 156 D N -0.085 120.397 120.400 0.137 0.000 2.092 156 D HA -0.203 4.438 4.640 0.001 0.000 0.193 156 D C 1.934 178.323 176.300 0.148 0.000 0.994 156 D CA 1.073 55.150 54.000 0.128 0.000 0.828 156 D CB -0.319 40.547 40.800 0.110 0.000 0.963 156 D HN 0.267 nan 8.370 nan 0.000 0.450 157 L N 0.449 121.772 121.223 0.167 0.000 2.051 157 L HA -0.193 4.147 4.340 0.001 0.000 0.214 157 L C 2.087 179.085 176.870 0.212 0.000 1.076 157 L CA 1.630 56.557 54.840 0.145 0.000 0.758 157 L CB -0.795 41.354 42.059 0.150 0.000 0.890 157 L HN 0.287 nan 8.230 nan 0.000 0.433 158 L N -1.398 119.960 121.223 0.226 0.000 2.341 158 L HA -0.177 4.164 4.340 0.001 0.000 0.214 158 L C 2.802 179.844 176.870 0.287 0.000 1.115 158 L CA 0.570 55.574 54.840 0.273 0.000 0.820 158 L CB -0.115 42.089 42.059 0.241 0.000 0.944 158 L HN 0.455 nan 8.230 nan 0.000 0.452 159 C N 0.516 119.944 119.300 0.213 0.000 2.476 159 C HA -0.104 4.356 4.460 0.001 0.000 0.278 159 C C 2.927 178.033 174.990 0.194 0.000 1.274 159 C CA 0.592 59.716 59.018 0.177 0.000 1.713 159 C CB -0.545 27.272 27.740 0.130 0.000 2.039 159 C HN 0.433 nan 8.230 nan 0.000 0.484 160 R N -0.928 119.691 120.500 0.198 0.000 2.152 160 R HA -0.078 4.262 4.340 0.001 0.000 0.232 160 R C 2.006 178.450 176.300 0.239 0.000 1.117 160 R CA 1.650 57.866 56.100 0.193 0.000 0.981 160 R CB -0.546 29.856 30.300 0.170 0.000 0.870 160 R HN 0.636 nan 8.270 nan 0.000 0.451 161 F N 1.811 121.848 119.950 0.145 0.000 2.084 161 F HA -0.120 4.407 4.527 0.001 0.000 0.296 161 F C 1.545 177.449 175.800 0.173 0.000 1.111 161 F CA 1.688 59.783 58.000 0.158 0.000 1.224 161 F CB -0.241 38.850 39.000 0.152 0.000 0.991 161 F HN -0.041 nan 8.300 nan 0.000 0.471 162 N N -0.504 118.372 118.700 0.295 0.000 2.166 162 N HA -0.156 4.585 4.740 0.001 0.000 0.186 162 N C 1.957 177.554 175.510 0.144 0.000 1.019 162 N CA 0.580 53.755 53.050 0.209 0.000 0.856 162 N CB -0.113 38.520 38.487 0.243 0.000 0.993 162 N HN 0.120 nan 8.380 nan 0.000 0.426 163 R N 0.920 121.508 120.500 0.147 0.000 2.113 163 R HA -0.114 4.226 4.340 0.001 0.000 0.231 163 R C 2.180 178.550 176.300 0.118 0.000 1.129 163 R CA 1.276 57.465 56.100 0.149 0.000 0.915 163 R CB -1.040 29.336 30.300 0.126 0.000 0.837 163 R HN 0.130 nan 8.270 nan 0.000 0.430 164 V N 1.665 121.624 119.914 0.075 0.000 2.380 164 V HA -0.275 3.845 4.120 0.001 0.000 0.251 164 V C 2.107 178.243 176.094 0.069 0.000 1.063 164 V CA 2.238 64.582 62.300 0.073 0.000 1.055 164 V CB -0.677 31.223 31.823 0.129 0.000 0.657 164 V HN 0.395 nan 8.190 nan 0.000 0.455 165 D N -1.092 119.319 120.400 0.017 0.000 2.144 165 D HA -0.224 4.416 4.640 0.001 0.000 0.200 165 D C 1.975 178.371 176.300 0.161 0.000 0.978 165 D CA 1.251 55.292 54.000 0.068 0.000 0.833 165 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 165 D HN 0.503 nan 8.370 nan 0.000 0.470 166 Y N 1.014 121.323 120.300 0.015 0.000 2.109 166 Y HA -0.150 4.401 4.550 0.001 0.000 0.285 166 Y C 2.553 178.439 175.900 -0.024 0.000 1.131 166 Y CA 2.497 60.598 58.100 0.003 0.000 1.121 166 Y CB -1.297 37.160 38.460 -0.004 0.000 0.987 166 Y HN 0.071 nan 8.280 nan 0.000 0.495 167 T N -1.538 112.895 114.554 -0.202 0.000 2.822 167 T HA -0.195 4.156 4.350 0.001 0.000 0.270 167 T C 1.716 176.343 174.700 -0.121 0.000 1.064 167 T CA 2.399 64.322 62.100 -0.294 0.000 1.131 167 T CB -0.755 67.969 68.868 -0.240 0.000 0.858 167 T HN 0.492 nan 8.240 nan 0.000 0.483 168 T N 1.199 115.728 114.554 -0.042 0.000 2.857 168 T HA 0.269 4.619 4.350 0.001 0.000 0.266 168 T C 2.378 176.995 174.700 -0.139 0.000 1.048 168 T CA 1.004 63.074 62.100 -0.050 0.000 1.139 168 T CB -0.646 68.124 68.868 -0.164 0.000 0.874 168 T HN 0.572 nan 8.240 nan 0.000 0.455 169 A N 0.973 123.730 122.820 -0.105 0.000 1.968 169 A HA 0.032 4.352 4.320 0.001 0.000 0.217 169 A C 2.483 179.951 177.584 -0.193 0.000 1.169 169 A CA 0.871 52.858 52.037 -0.083 0.000 0.638 169 A CB -0.791 18.232 19.000 0.037 0.000 0.812 169 A HN 0.353 nan 8.150 nan 0.000 0.446 170 V N -0.205 119.511 119.914 -0.331 0.000 2.515 170 V HA -0.140 3.980 4.120 0.001 0.000 0.250 170 V C 2.702 178.444 176.094 -0.586 0.000 1.058 170 V CA 1.781 63.762 62.300 -0.532 0.000 1.064 170 V CB -1.129 30.275 31.823 -0.699 0.000 0.675 170 V HN 0.601 nan 8.190 nan 0.000 0.461 171 G N -0.877 107.782 108.800 -0.235 0.000 2.394 171 G HA2 -0.286 3.674 3.960 0.001 0.000 0.215 171 G HA3 -0.286 3.674 3.960 0.001 0.000 0.215 171 G C 1.489 176.369 174.900 -0.035 0.000 1.165 171 G CA 0.797 45.906 45.100 0.015 0.000 0.784 171 G HN 0.486 nan 8.290 nan 0.000 0.535 172 Q N -0.131 119.615 119.800 -0.091 0.000 2.226 172 Q HA -0.016 4.325 4.340 0.001 0.000 0.204 172 Q C 2.226 178.183 176.000 -0.072 0.000 0.975 172 Q CA 0.888 56.652 55.803 -0.065 0.000 0.866 172 Q CB -0.351 28.340 28.738 -0.080 0.000 0.915 172 Q HN 0.416 nan 8.270 nan 0.000 0.440 173 L N -0.850 120.267 121.223 -0.176 0.000 2.109 173 L HA -0.088 4.253 4.340 0.001 0.000 0.207 173 L C 1.373 178.189 176.870 -0.090 0.000 1.086 173 L CA 1.727 56.457 54.840 -0.184 0.000 0.760 173 L CB -0.629 41.226 42.059 -0.339 0.000 0.910 173 L HN 0.222 nan 8.230 nan 0.000 0.437 174 Y N -0.455 119.834 120.300 -0.018 0.000 2.373 174 Y HA -0.132 4.419 4.550 0.001 0.000 0.293 174 Y C 2.550 178.443 175.900 -0.010 0.000 1.129 174 Y CA 0.969 59.064 58.100 -0.009 0.000 1.226 174 Y CB -0.859 37.595 38.460 -0.009 0.000 1.000 174 Y HN 0.362 nan 8.280 nan 0.000 0.549 175 D N 0.309 120.786 120.400 0.127 0.000 2.097 175 D HA -0.126 4.514 4.640 0.001 0.000 0.197 175 D C 2.044 178.361 176.300 0.029 0.000 0.984 175 D CA 1.849 55.885 54.000 0.061 0.000 0.826 175 D CB 0.125 40.950 40.800 0.041 0.000 0.973 175 D HN 0.262 nan 8.370 nan 0.000 0.460 176 V N -0.422 119.509 119.914 0.030 0.000 2.871 176 V HA 0.004 4.125 4.120 0.001 0.000 0.256 176 V C 2.100 178.213 176.094 0.031 0.000 1.082 176 V CA 1.861 64.174 62.300 0.022 0.000 1.105 176 V CB -0.878 30.971 31.823 0.043 0.000 0.713 176 V HN 0.290 nan 8.190 nan 0.000 0.473 177 T N -1.894 112.712 114.554 0.086 0.000 3.069 177 T HA 0.122 4.473 4.350 0.001 0.000 0.252 177 T C 1.718 176.488 174.700 0.116 0.000 1.053 177 T CA 0.663 62.866 62.100 0.172 0.000 0.964 177 T CB -0.008 68.987 68.868 0.212 0.000 1.005 177 T HN 0.699 nan 8.240 nan 0.000 0.532 178 S N 2.177 117.902 115.700 0.041 0.000 2.406 178 S HA -0.067 4.403 4.470 0.001 0.000 0.228 178 S C 1.673 176.350 174.600 0.128 0.000 1.020 178 S CA 0.599 58.827 58.200 0.047 0.000 0.965 178 S CB -0.699 62.469 63.200 -0.052 0.000 0.798 178 S HN 0.479 nan 8.310 nan 0.000 0.488 179 M N 0.592 120.181 119.600 -0.019 0.000 2.618 179 M HA 0.421 4.902 4.480 0.001 0.000 0.240 179 M C -0.785 175.436 176.300 -0.132 0.000 1.123 179 M CA 0.156 55.481 55.300 0.042 0.000 1.060 179 M CB -0.750 31.731 32.600 -0.198 0.000 1.535 179 M HN 0.107 nan 8.290 nan 0.000 0.507 180 F N 0.439 120.483 119.950 0.157 0.000 2.458 180 F HA 0.370 4.898 4.527 0.001 0.000 0.336 180 F C 0.254 176.104 175.800 0.083 0.000 1.114 180 F CA -2.477 55.572 58.000 0.081 0.000 0.987 180 F CB 0.583 39.620 39.000 0.062 0.000 1.130 180 F HN -0.124 nan 8.300 nan 0.000 0.458 181 D N 1.370 121.918 120.400 0.248 0.000 2.402 181 D HA -0.023 4.617 4.640 0.001 0.000 0.268 181 D C 1.296 177.683 176.300 0.145 0.000 1.294 181 D CA 0.402 54.493 54.000 0.152 0.000 0.945 181 D CB 0.761 41.615 40.800 0.089 0.000 1.112 181 D HN 0.522 nan 8.370 nan 0.000 0.517 182 S N 2.773 118.560 115.700 0.145 0.000 2.493 182 S HA -0.226 4.245 4.470 0.001 0.000 0.243 182 S C 1.308 175.957 174.600 0.083 0.000 0.991 182 S CA 0.886 59.160 58.200 0.123 0.000 0.957 182 S CB -0.313 62.959 63.200 0.119 0.000 0.756 182 S HN 0.543 nan 8.310 nan 0.000 0.521 183 N N 1.601 120.343 118.700 0.070 0.000 2.354 183 N HA 0.083 4.823 4.740 0.001 0.000 0.179 183 N C 1.449 176.979 175.510 0.034 0.000 1.021 183 N CA 0.880 53.959 53.050 0.048 0.000 0.887 183 N CB -0.076 38.436 38.487 0.042 0.000 0.974 183 N HN 0.521 nan 8.380 nan 0.000 0.437 184 K N 0.317 120.736 120.400 0.032 0.000 2.404 184 K HA 0.160 4.480 4.320 0.001 0.000 0.194 184 K C -0.076 176.521 176.600 -0.004 0.000 1.023 184 K CA -0.135 56.157 56.287 0.008 0.000 1.094 184 K CB 0.484 32.983 32.500 -0.002 0.000 0.841 184 K HN 0.172 nan 8.250 nan 0.000 0.523 185 L N 3.017 124.251 121.223 0.019 0.000 2.654 185 L HA -0.059 4.282 4.340 0.001 0.000 0.271 185 L C -0.875 175.996 176.870 0.001 0.000 1.169 185 L CA 0.582 55.430 54.840 0.014 0.000 0.947 185 L CB 0.020 42.114 42.059 0.058 0.000 1.232 185 L HN 0.151 nan 8.230 nan 0.000 0.486 186 D N 5.043 125.429 120.400 -0.022 0.000 2.548 186 D HA 0.256 4.897 4.640 0.001 0.000 0.214 186 D C -1.852 174.430 176.300 -0.030 0.000 1.345 186 D CA -0.969 53.020 54.000 -0.018 0.000 0.945 186 D CB 1.756 42.546 40.800 -0.016 0.000 1.499 186 D HN 0.087 nan 8.370 nan 0.000 0.579 187 P HA -0.176 nan 4.420 nan 0.000 0.219 187 P C 0.327 177.611 177.300 -0.028 0.000 1.149 187 P CA 1.120 64.207 63.100 -0.022 0.000 0.835 187 P CB 0.245 31.939 31.700 -0.009 0.000 0.778 188 D N -1.866 118.518 120.400 -0.026 0.000 2.327 188 D HA 0.052 4.692 4.640 0.001 0.000 0.205 188 D C 0.323 176.602 176.300 -0.034 0.000 0.989 188 D CA 0.610 54.594 54.000 -0.026 0.000 0.873 188 D CB 0.641 41.431 40.800 -0.017 0.000 0.955 188 D HN 0.072 nan 8.370 nan 0.000 0.515 189 V N 1.783 121.670 119.914 -0.044 0.000 2.483 189 V HA 0.214 4.335 4.120 0.001 0.000 0.297 189 V C 0.201 176.244 176.094 -0.085 0.000 1.027 189 V CA -0.957 61.311 62.300 -0.053 0.000 0.855 189 V CB 1.828 33.626 31.823 -0.043 0.000 0.995 189 V HN 0.032 nan 8.190 nan 0.000 0.424 190 S N 3.478 119.122 115.700 -0.094 0.000 2.601 190 S HA 0.835 5.305 4.470 0.001 0.000 0.271 190 S C -0.172 174.342 174.600 -0.143 0.000 1.305 190 S CA -0.063 58.050 58.200 -0.144 0.000 1.022 190 S CB 1.586 64.713 63.200 -0.121 0.000 0.940 190 S HN 1.389 nan 8.310 nan 0.000 0.525 191 Q N 0.481 120.152 119.800 -0.215 0.000 2.379 191 Q HA 0.761 5.101 4.340 0.001 0.000 0.278 191 Q C -3.202 172.702 176.000 -0.161 0.000 1.068 191 Q CA -1.874 53.837 55.803 -0.154 0.000 0.816 191 Q CB -0.427 28.234 28.738 -0.127 0.000 1.387 191 Q HN 0.744 nan 8.270 nan 0.000 0.413 192 P HA 0.393 nan 4.420 nan 0.000 0.286 192 P C -0.341 177.084 177.300 0.208 0.000 1.293 192 P CA -0.276 62.856 63.100 0.053 0.000 0.770 192 P CB 0.395 32.109 31.700 0.023 0.000 1.206 193 T N 0.533 115.221 114.554 0.223 0.000 2.834 193 T HA 0.093 4.444 4.350 0.001 0.000 0.298 193 T C 0.402 175.068 174.700 -0.057 0.000 0.966 193 T CA 0.119 62.321 62.100 0.170 0.000 1.141 193 T CB -0.326 68.556 68.868 0.022 0.000 0.905 193 T HN 0.467 nan 8.240 nan 0.000 0.535 194 T N 2.885 117.391 114.554 -0.080 0.000 2.828 194 T HA -0.087 4.264 4.350 0.001 0.000 0.282 194 T C 1.642 175.989 174.700 -0.588 0.000 1.031 194 T CA 0.889 62.836 62.100 -0.255 0.000 1.136 194 T CB 0.165 68.883 68.868 -0.250 0.000 1.057 194 T HN 0.843 nan 8.240 nan 0.000 0.499 195 T N 0.960 115.295 114.554 -0.364 0.000 3.010 195 T HA 0.024 4.374 4.350 0.001 0.000 0.252 195 T C 1.439 176.019 174.700 -0.200 0.000 1.047 195 T CA 0.741 62.660 62.100 -0.301 0.000 1.140 195 T CB -0.046 68.766 68.868 -0.095 0.000 0.885 195 T HN 0.758 nan 8.240 nan 0.000 0.464 196 D N 0.927 121.252 120.400 -0.126 0.000 2.323 196 D HA -0.034 4.607 4.640 0.001 0.000 0.209 196 D C 0.566 176.967 176.300 0.168 0.000 0.973 196 D CA -0.229 53.803 54.000 0.055 0.000 0.874 196 D CB -0.884 39.938 40.800 0.037 0.000 0.930 196 D HN 0.412 nan 8.370 nan 0.000 0.521 197 F N -0.354 119.546 119.950 -0.083 0.000 3.093 197 F HA -0.282 4.246 4.527 0.001 0.000 0.287 197 F C 1.789 177.557 175.800 -0.054 0.000 0.882 197 F CA 0.245 58.101 58.000 -0.239 0.000 1.063 197 F CB -1.896 36.873 39.000 -0.386 0.000 1.097 197 F HN 0.186 nan 8.300 nan 0.000 0.604 198 A N -0.426 122.482 122.820 0.145 0.000 2.019 198 A HA -0.152 4.168 4.320 0.001 0.000 0.219 198 A C 2.026 179.726 177.584 0.193 0.000 1.164 198 A CA 1.719 53.841 52.037 0.143 0.000 0.644 198 A CB -0.319 18.736 19.000 0.093 0.000 0.805 198 A HN 0.624 nan 8.150 nan 0.000 0.449 199 E N -1.281 119.079 120.200 0.267 0.000 2.502 199 E HA 0.020 4.370 4.350 0.001 0.000 0.194 199 E C -0.567 176.270 176.600 0.395 0.000 1.062 199 E CA -0.280 56.293 56.400 0.288 0.000 0.867 199 E CB -0.018 29.837 29.700 0.258 0.000 0.888 199 E HN 0.578 nan 8.360 nan 0.000 0.510 200 F N 1.987 122.025 119.950 0.147 0.000 2.668 200 F HA 0.028 4.556 4.527 0.001 0.000 0.365 200 F C 0.836 176.673 175.800 0.063 0.000 1.165 200 F CA -0.075 58.005 58.000 0.135 0.000 1.344 200 F CB -0.773 38.328 39.000 0.168 0.000 1.658 200 F HN -0.214 nan 8.300 nan 0.000 0.620 201 T N -2.561 112.099 114.554 0.178 0.000 2.907 201 T HA 0.288 4.638 4.350 0.001 0.000 0.284 201 T C 1.149 175.901 174.700 0.086 0.000 1.004 201 T CA -0.825 61.335 62.100 0.099 0.000 1.063 201 T CB 1.801 70.717 68.868 0.080 0.000 0.992 201 T HN 0.194 nan 8.240 nan 0.000 0.483 202 L N 2.524 123.779 121.223 0.053 0.000 2.081 202 L HA -0.101 4.240 4.340 0.001 0.000 0.212 202 L C 2.663 179.613 176.870 0.134 0.000 1.080 202 L CA 2.637 57.531 54.840 0.089 0.000 0.754 202 L CB -1.230 40.853 42.059 0.040 0.000 0.893 202 L HN 0.974 nan 8.230 nan 0.000 0.433 203 S N -1.520 114.228 115.700 0.081 0.000 2.402 203 S HA -0.129 4.341 4.470 0.001 0.000 0.229 203 S C 1.860 176.484 174.600 0.040 0.000 1.021 203 S CA 1.062 59.299 58.200 0.061 0.000 0.974 203 S CB -0.666 62.558 63.200 0.040 0.000 0.800 203 S HN 0.538 nan 8.310 nan 0.000 0.484 204 N N 0.473 119.200 118.700 0.045 0.000 2.300 204 N HA 0.036 4.777 4.740 0.001 0.000 0.179 204 N C 1.365 176.876 175.510 0.001 0.000 1.016 204 N CA 1.038 54.086 53.050 -0.003 0.000 0.876 204 N CB -0.559 37.938 38.487 0.016 0.000 0.979 204 N HN 0.613 nan 8.380 nan 0.000 0.432 205 Y N 2.058 122.338 120.300 -0.033 0.000 2.163 205 Y HA -0.087 4.463 4.550 0.001 0.000 0.288 205 Y C 2.097 178.012 175.900 0.025 0.000 1.136 205 Y CA 1.646 59.736 58.100 -0.017 0.000 1.147 205 Y CB -0.137 38.324 38.460 0.003 0.000 0.987 205 Y HN -0.127 nan 8.280 nan 0.000 0.509 206 K N -0.042 120.361 120.400 0.006 0.000 2.113 206 K HA -0.267 4.054 4.320 0.001 0.000 0.208 206 K C 2.372 178.915 176.600 -0.096 0.000 1.047 206 K CA 1.783 58.042 56.287 -0.047 0.000 0.928 206 K CB -0.230 32.306 32.500 0.060 0.000 0.716 206 K HN 0.297 nan 8.250 nan 0.000 0.446 207 R N 1.251 121.712 120.500 -0.064 0.000 2.062 207 R HA -0.095 4.246 4.340 0.001 0.000 0.231 207 R C 2.376 178.732 176.300 0.092 0.000 1.136 207 R CA 1.467 57.565 56.100 -0.003 0.000 0.948 207 R CB -0.282 29.919 30.300 -0.164 0.000 0.845 207 R HN 0.289 nan 8.270 nan 0.000 0.430 208 I N 0.027 120.577 120.570 -0.032 0.000 2.286 208 I HA -0.197 3.974 4.170 0.001 0.000 0.248 208 I C 1.653 177.786 176.117 0.027 0.000 1.115 208 I CA 1.277 62.636 61.300 0.097 0.000 1.392 208 I CB 0.007 38.015 38.000 0.013 0.000 1.065 208 I HN 0.073 nan 8.210 nan 0.000 0.418 209 V N 1.760 121.551 119.914 -0.205 0.000 2.379 209 V HA -0.264 3.857 4.120 0.001 0.000 0.245 209 V C 2.617 178.669 176.094 -0.070 0.000 1.044 209 V CA 2.256 64.432 62.300 -0.207 0.000 1.036 209 V CB -0.711 30.849 31.823 -0.439 0.000 0.664 209 V HN 0.488 nan 8.190 nan 0.000 0.453 210 K N -0.973 119.360 120.400 -0.112 0.000 2.103 210 K HA -0.222 4.098 4.320 0.001 0.000 0.207 210 K C 2.032 178.548 176.600 -0.141 0.000 1.048 210 K CA 2.069 58.232 56.287 -0.207 0.000 0.930 210 K CB -0.216 32.063 32.500 -0.368 0.000 0.716 210 K HN 0.533 nan 8.250 nan 0.000 0.444 211 Y N 0.549 120.978 120.300 0.215 0.000 2.436 211 Y HA 0.020 4.571 4.550 0.001 0.000 0.288 211 Y C 1.970 177.974 175.900 0.173 0.000 1.112 211 Y CA 1.052 59.299 58.100 0.245 0.000 1.220 211 Y CB 0.209 38.792 38.460 0.205 0.000 1.073 211 Y HN 0.122 nan 8.280 nan 0.000 0.552 212 K N -1.541 119.010 120.400 0.252 0.000 2.393 212 K HA 0.185 4.505 4.320 0.001 0.000 0.193 212 K C 0.565 177.313 176.600 0.246 0.000 1.026 212 K CA 1.206 57.596 56.287 0.172 0.000 1.064 212 K CB 0.193 32.754 32.500 0.101 0.000 0.833 212 K HN 0.043 nan 8.250 nan 0.000 0.521 213 T N -0.164 114.514 114.554 0.206 0.000 3.409 213 T HA 0.229 4.580 4.350 0.001 0.000 0.242 213 T C 1.832 176.558 174.700 0.042 0.000 1.000 213 T CA 0.285 62.465 62.100 0.134 0.000 1.180 213 T CB -0.398 68.577 68.868 0.178 0.000 1.210 213 T HN 0.173 nan 8.240 nan 0.000 0.373 214 A N 1.182 124.038 122.820 0.059 0.000 1.906 214 A HA -0.254 4.067 4.320 0.001 0.000 0.222 214 A C 1.958 179.509 177.584 -0.055 0.000 1.282 214 A CA 2.408 54.427 52.037 -0.031 0.000 0.675 214 A CB -1.486 17.387 19.000 -0.210 0.000 0.838 214 A HN 0.573 nan 8.150 nan 0.000 0.469 215 Y N -1.177 119.147 120.300 0.040 0.000 2.097 215 Y HA -0.268 4.283 4.550 0.001 0.000 0.282 215 Y C 2.532 178.504 175.900 0.119 0.000 1.152 215 Y CA 2.365 60.516 58.100 0.084 0.000 1.136 215 Y CB -0.914 37.614 38.460 0.114 0.000 0.975 215 Y HN 0.684 nan 8.280 nan 0.000 0.498 216 Y N -2.058 118.378 120.300 0.228 0.000 2.490 216 Y HA 0.100 4.651 4.550 0.001 0.000 0.285 216 Y C 1.934 177.888 175.900 0.091 0.000 1.117 216 Y CA 1.096 59.292 58.100 0.159 0.000 1.262 216 Y CB -0.937 37.636 38.460 0.189 0.000 1.043 216 Y HN -0.111 nan 8.280 nan 0.000 0.553 217 T N -0.531 113.620 114.554 -0.672 0.000 3.009 217 T HA 0.023 4.373 4.350 0.001 0.000 0.258 217 T C 0.720 175.021 174.700 -0.665 0.000 1.063 217 T CA 1.595 63.263 62.100 -0.720 0.000 1.139 217 T CB -0.211 68.207 68.868 -0.751 0.000 0.890 217 T HN 0.449 nan 8.240 nan 0.000 0.471 218 Y N -0.521 119.637 120.300 -0.237 0.000 2.673 218 Y HA 0.425 4.975 4.550 0.001 0.000 0.278 218 Y C 1.862 177.709 175.900 -0.087 0.000 1.127 218 Y CA -0.430 57.570 58.100 -0.167 0.000 1.261 218 Y CB -0.070 38.288 38.460 -0.171 0.000 1.412 218 Y HN -0.035 nan 8.280 nan 0.000 0.496 219 L N 0.173 121.441 121.223 0.076 0.000 2.156 219 L HA -0.110 4.230 4.340 0.001 0.000 0.208 219 L C 1.882 178.825 176.870 0.122 0.000 1.095 219 L CA 1.501 56.386 54.840 0.076 0.000 0.770 219 L CB -0.465 41.610 42.059 0.026 0.000 0.914 219 L HN 0.339 nan 8.230 nan 0.000 0.439 220 L N 0.735 122.037 121.223 0.132 0.000 2.023 220 L HA 0.023 4.363 4.340 0.001 0.000 0.205 220 L C -0.549 176.394 176.870 0.122 0.000 1.073 220 L CA 1.563 56.498 54.840 0.160 0.000 0.745 220 L CB -1.696 40.486 42.059 0.205 0.000 0.900 220 L HN 0.037 nan 8.230 nan 0.000 0.435 221 P HA -0.199 nan 4.420 nan 0.000 0.215 221 P C 2.093 179.425 177.300 0.052 0.000 1.157 221 P CA 1.718 64.836 63.100 0.030 0.000 0.874 221 P CB -0.068 31.594 31.700 -0.064 0.000 0.790 222 L N -1.462 119.808 121.223 0.078 0.000 2.046 222 L HA -0.159 4.181 4.340 0.001 0.000 0.208 222 L C 2.401 179.373 176.870 0.170 0.000 1.077 222 L CA 1.368 56.314 54.840 0.176 0.000 0.747 222 L CB -1.172 41.019 42.059 0.221 0.000 0.896 222 L HN -0.109 nan 8.230 nan 0.000 0.432 223 V N -0.295 119.693 119.914 0.123 0.000 2.307 223 V HA -0.301 3.820 4.120 0.001 0.000 0.245 223 V C 2.497 178.602 176.094 0.017 0.000 1.045 223 V CA 1.906 64.251 62.300 0.075 0.000 1.024 223 V CB -0.361 31.525 31.823 0.105 0.000 0.651 223 V HN 0.380 nan 8.190 nan 0.000 0.449 224 M N 0.154 119.776 119.600 0.037 0.000 2.117 224 M HA -0.086 4.394 4.480 0.001 0.000 0.262 224 M C 2.281 178.523 176.300 -0.096 0.000 1.065 224 M CA 2.047 57.331 55.300 -0.025 0.000 1.114 224 M CB -0.915 31.714 32.600 0.049 0.000 1.361 224 M HN 0.495 nan 8.290 nan 0.000 0.408 225 G N 0.322 109.101 108.800 -0.035 0.000 2.432 225 G HA2 -0.146 3.814 3.960 0.001 0.000 0.219 225 G HA3 -0.146 3.814 3.960 0.001 0.000 0.219 225 G C 1.517 176.366 174.900 -0.084 0.000 1.135 225 G CA 0.511 45.586 45.100 -0.043 0.000 0.767 225 G HN 0.336 nan 8.290 nan 0.000 0.550 226 L N -0.155 121.009 121.223 -0.099 0.000 2.179 226 L HA 0.139 4.480 4.340 0.001 0.000 0.208 226 L C 2.755 179.508 176.870 -0.195 0.000 1.096 226 L CA 0.315 55.049 54.840 -0.177 0.000 0.779 226 L CB -0.182 41.734 42.059 -0.237 0.000 0.922 226 L HN 0.195 nan 8.230 nan 0.000 0.443 227 I N -0.241 120.192 120.570 -0.229 0.000 2.163 227 I HA -0.218 3.953 4.170 0.001 0.000 0.240 227 I C 2.384 178.153 176.117 -0.581 0.000 1.081 227 I CA 1.353 62.441 61.300 -0.352 0.000 1.353 227 I CB -0.223 37.545 38.000 -0.386 0.000 1.054 227 I HN 0.148 nan 8.210 nan 0.000 0.407 228 V N -2.944 116.603 119.914 -0.612 0.000 3.078 228 V HA -0.081 4.039 4.120 0.001 0.000 0.265 228 V C 1.730 177.688 176.094 -0.226 0.000 1.122 228 V CA 1.594 63.538 62.300 -0.593 0.000 1.141 228 V CB -0.418 31.183 31.823 -0.370 0.000 0.735 228 V HN 0.275 nan 8.190 nan 0.000 0.498 229 S N -0.488 115.107 115.700 -0.176 0.000 2.540 229 S HA 0.218 4.689 4.470 0.001 0.000 0.218 229 S C 0.547 175.106 174.600 -0.069 0.000 0.977 229 S CA 0.236 58.386 58.200 -0.084 0.000 0.918 229 S CB -0.196 62.958 63.200 -0.077 0.000 0.806 229 S HN 0.792 nan 8.310 nan 0.000 0.496 230 E N 0.189 120.336 120.200 -0.088 0.000 2.440 230 E HA -0.261 4.090 4.350 0.001 0.000 0.246 230 E C 0.550 177.111 176.600 -0.064 0.000 1.165 230 E CA 0.452 56.825 56.400 -0.045 0.000 0.726 230 E CB -1.352 28.356 29.700 0.013 0.000 1.271 230 E HN 0.573 nan 8.360 nan 0.000 0.397 231 A N -0.300 122.454 122.820 -0.109 0.000 2.469 231 A HA 0.244 4.565 4.320 0.001 0.000 0.245 231 A C 1.539 179.015 177.584 -0.180 0.000 1.221 231 A CA 0.242 52.199 52.037 -0.134 0.000 0.946 231 A CB 0.231 19.138 19.000 -0.155 0.000 1.049 231 A HN 0.205 nan 8.150 nan 0.000 0.529 232 L N 1.409 122.533 121.223 -0.165 0.000 2.034 232 L HA -0.122 4.218 4.340 0.001 0.000 0.217 232 L C -0.596 176.194 176.870 -0.134 0.000 1.077 232 L CA 3.069 57.811 54.840 -0.162 0.000 0.769 232 L CB -0.744 41.253 42.059 -0.102 0.000 0.890 232 L HN 0.313 nan 8.230 nan 0.000 0.435 233 P HA -0.037 nan 4.420 nan 0.000 0.245 233 P C 0.868 178.127 177.300 -0.069 0.000 1.212 233 P CA 1.359 64.422 63.100 -0.062 0.000 0.774 233 P CB -0.372 31.306 31.700 -0.037 0.000 0.999 234 T N -2.847 111.645 114.554 -0.103 0.000 3.086 234 T HA 0.228 4.579 4.350 0.001 0.000 0.250 234 T C 0.700 175.340 174.700 -0.100 0.000 1.074 234 T CA -0.218 61.828 62.100 -0.091 0.000 0.988 234 T CB -0.717 68.096 68.868 -0.092 0.000 0.988 234 T HN -0.002 nan 8.240 nan 0.000 0.530 235 V N -2.084 117.750 119.914 -0.133 0.000 2.960 235 V HA 0.625 4.745 4.120 0.001 0.000 0.315 235 V C -0.889 175.191 176.094 -0.023 0.000 1.087 235 V CA -1.237 61.007 62.300 -0.093 0.000 0.982 235 V CB 1.915 33.583 31.823 -0.258 0.000 1.039 235 V HN 0.059 nan 8.190 nan 0.000 0.437 236 D N 2.784 123.205 120.400 0.034 0.000 2.470 236 D HA 0.143 4.784 4.640 0.001 0.000 0.226 236 D C 0.910 177.241 176.300 0.051 0.000 1.196 236 D CA -0.261 53.759 54.000 0.033 0.000 0.979 236 D CB 0.980 41.800 40.800 0.033 0.000 1.059 236 D HN 0.677 nan 8.370 nan 0.000 0.515 237 M N 3.022 122.643 119.600 0.037 0.000 2.192 237 M HA -0.090 4.391 4.480 0.001 0.000 0.259 237 M C 1.834 178.163 176.300 0.048 0.000 1.071 237 M CA 1.782 57.113 55.300 0.051 0.000 1.082 237 M CB -0.735 31.889 32.600 0.039 0.000 1.373 237 M HN 0.374 nan 8.290 nan 0.000 0.408 238 G N -1.293 107.527 108.800 0.033 0.000 2.446 238 G HA2 -0.164 3.796 3.960 0.001 0.000 0.217 238 G HA3 -0.164 3.796 3.960 0.001 0.000 0.217 238 G C 1.404 176.308 174.900 0.007 0.000 1.168 238 G CA 1.238 46.351 45.100 0.021 0.000 0.771 238 G HN 0.428 nan 8.290 nan 0.000 0.551 239 V N 0.870 120.789 119.914 0.008 0.000 2.548 239 V HA -0.129 3.992 4.120 0.001 0.000 0.249 239 V C 3.078 179.164 176.094 -0.013 0.000 1.055 239 V CA 2.145 64.437 62.300 -0.013 0.000 1.065 239 V CB -0.817 31.001 31.823 -0.009 0.000 0.681 239 V HN 0.366 nan 8.190 nan 0.000 0.462 240 T N -0.164 114.415 114.554 0.042 0.000 2.777 240 T HA -0.174 4.176 4.350 0.001 0.000 0.266 240 T C 1.808 176.512 174.700 0.006 0.000 1.040 240 T CA 1.554 63.696 62.100 0.069 0.000 1.141 240 T CB -0.198 68.797 68.868 0.211 0.000 0.868 240 T HN 0.586 nan 8.240 nan 0.000 0.444 241 E N 0.892 121.093 120.200 0.002 0.000 2.150 241 E HA -0.107 4.243 4.350 0.001 0.000 0.193 241 E C 2.286 178.825 176.600 -0.103 0.000 0.985 241 E CA 0.786 57.159 56.400 -0.045 0.000 0.814 241 E CB -0.070 29.627 29.700 -0.006 0.000 0.752 241 E HN 0.619 nan 8.360 nan 0.000 0.466 242 E N 0.796 120.944 120.200 -0.086 0.000 2.106 242 E HA -0.150 4.201 4.350 0.001 0.000 0.192 242 E C 2.207 178.713 176.600 -0.158 0.000 0.984 242 E CA 0.629 56.962 56.400 -0.112 0.000 0.806 242 E CB -0.013 29.631 29.700 -0.093 0.000 0.750 242 E HN 0.220 nan 8.360 nan 0.000 0.458 243 L N 0.597 121.724 121.223 -0.160 0.000 2.027 243 L HA -0.168 4.173 4.340 0.001 0.000 0.206 243 L C 2.605 179.342 176.870 -0.221 0.000 1.074 243 L CA 1.004 55.715 54.840 -0.214 0.000 0.745 243 L CB -0.430 41.507 42.059 -0.203 0.000 0.898 243 L HN 0.144 nan 8.230 nan 0.000 0.433 244 A N -0.273 122.448 122.820 -0.165 0.000 1.883 244 A HA -0.248 4.072 4.320 0.001 0.000 0.217 244 A C 2.269 179.708 177.584 -0.242 0.000 1.186 244 A CA 1.781 53.728 52.037 -0.150 0.000 0.624 244 A CB -0.430 18.509 19.000 -0.102 0.000 0.822 244 A HN 0.301 nan 8.150 nan 0.000 0.444 245 M N -1.250 118.190 119.600 -0.266 0.000 2.159 245 M HA -0.090 4.390 4.480 0.001 0.000 0.263 245 M C 2.147 178.326 176.300 -0.202 0.000 1.063 245 M CA 1.206 56.342 55.300 -0.274 0.000 1.110 245 M CB -1.423 31.020 32.600 -0.261 0.000 1.374 245 M HN 0.438 nan 8.290 nan 0.000 0.411 246 L N 0.183 121.282 121.223 -0.207 0.000 2.072 246 L HA -0.044 4.296 4.340 0.001 0.000 0.205 246 L C 2.266 179.018 176.870 -0.197 0.000 1.079 246 L CA 1.615 56.341 54.840 -0.189 0.000 0.752 246 L CB -0.470 41.440 42.059 -0.250 0.000 0.906 246 L HN 0.207 nan 8.230 nan 0.000 0.436 247 M N -1.430 117.976 119.600 -0.324 0.000 2.254 247 M HA -0.046 4.435 4.480 0.001 0.000 0.265 247 M C 2.066 178.050 176.300 -0.527 0.000 1.066 247 M CA 1.344 56.404 55.300 -0.401 0.000 1.123 247 M CB -0.789 31.419 32.600 -0.655 0.000 1.388 247 M HN 0.429 nan 8.290 nan 0.000 0.425 248 G N 0.009 108.515 108.800 -0.491 0.000 2.402 248 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 248 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 248 G C 1.335 176.276 174.900 0.068 0.000 1.162 248 G CA 0.768 45.772 45.100 -0.160 0.000 0.777 248 G HN 0.518 nan 8.290 nan 0.000 0.539 249 E N -0.611 119.613 120.200 0.041 0.000 2.051 249 E HA -0.213 4.137 4.350 0.001 0.000 0.192 249 E C 2.101 178.856 176.600 0.259 0.000 0.991 249 E CA 0.988 57.467 56.400 0.132 0.000 0.799 249 E CB -0.344 29.445 29.700 0.148 0.000 0.748 249 E HN 0.448 nan 8.360 nan 0.000 0.449 250 Y N 0.570 120.972 120.300 0.171 0.000 2.128 250 Y HA -0.283 4.267 4.550 0.001 0.000 0.284 250 Y C 1.966 177.999 175.900 0.221 0.000 1.154 250 Y CA 2.004 60.244 58.100 0.234 0.000 1.149 250 Y CB -0.842 37.692 38.460 0.125 0.000 0.976 250 Y HN 0.200 nan 8.280 nan 0.000 0.505 251 F N 1.304 121.201 119.950 -0.089 0.000 2.095 251 F HA -0.249 4.279 4.527 0.001 0.000 0.298 251 F C 2.450 178.211 175.800 -0.065 0.000 1.104 251 F CA 2.398 60.328 58.000 -0.115 0.000 1.232 251 F CB -0.889 38.187 39.000 0.128 0.000 0.987 251 F HN 0.217 nan 8.300 nan 0.000 0.475 252 Q N 0.358 120.113 119.800 -0.075 0.000 2.167 252 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 252 Q C 2.067 178.025 176.000 -0.069 0.000 0.970 252 Q CA 1.848 57.576 55.803 -0.125 0.000 0.855 252 Q CB -0.651 28.110 28.738 0.038 0.000 0.911 252 Q HN 0.357 nan 8.270 nan 0.000 0.438 253 V N 0.650 120.549 119.914 -0.024 0.000 2.407 253 V HA -0.279 3.841 4.120 0.001 0.000 0.248 253 V C 2.126 178.094 176.094 -0.210 0.000 1.055 253 V CA 2.112 64.343 62.300 -0.115 0.000 1.049 253 V CB -0.523 31.100 31.823 -0.333 0.000 0.662 253 V HN 0.461 nan 8.190 nan 0.000 0.455 254 Q N -0.499 119.138 119.800 -0.270 0.000 2.167 254 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 254 Q C 2.031 177.864 176.000 -0.277 0.000 0.970 254 Q CA 1.747 57.371 55.803 -0.299 0.000 0.855 254 Q CB -0.223 28.302 28.738 -0.355 0.000 0.911 254 Q HN 0.689 nan 8.270 nan 0.000 0.438 255 D N 0.745 120.953 120.400 -0.320 0.000 2.117 255 D HA -0.180 4.461 4.640 0.001 0.000 0.197 255 D C 1.196 177.420 176.300 -0.126 0.000 0.987 255 D CA 1.318 55.164 54.000 -0.257 0.000 0.829 255 D CB 0.104 40.722 40.800 -0.304 0.000 0.961 255 D HN 0.119 nan 8.370 nan 0.000 0.460 256 D N -0.596 119.760 120.400 -0.072 0.000 2.117 256 D HA -0.097 4.544 4.640 0.001 0.000 0.198 256 D C 2.258 178.534 176.300 -0.039 0.000 0.982 256 D CA 0.550 54.547 54.000 -0.004 0.000 0.828 256 D CB -0.304 40.548 40.800 0.088 0.000 0.967 256 D HN 0.168 nan 8.370 nan 0.000 0.464 257 V N 0.932 120.800 119.914 -0.076 0.000 2.358 257 V HA -0.189 3.931 4.120 0.001 0.000 0.246 257 V C 2.417 178.489 176.094 -0.036 0.000 1.047 257 V CA 1.223 63.491 62.300 -0.053 0.000 1.035 257 V CB -0.403 31.291 31.823 -0.216 0.000 0.658 257 V HN 0.207 nan 8.190 nan 0.000 0.452 258 M N -0.202 119.347 119.600 -0.084 0.000 2.374 258 M HA -0.166 4.315 4.480 0.001 0.000 0.264 258 M C 1.822 178.092 176.300 -0.051 0.000 1.067 258 M CA 1.658 56.925 55.300 -0.056 0.000 1.103 258 M CB -0.531 32.019 32.600 -0.084 0.000 1.402 258 M HN 0.352 nan 8.290 nan 0.000 0.444 259 D N -0.602 119.759 120.400 -0.066 0.000 2.224 259 D HA -0.129 4.511 4.640 0.001 0.000 0.205 259 D C 1.974 178.217 176.300 -0.096 0.000 0.965 259 D CA 0.861 54.826 54.000 -0.057 0.000 0.852 259 D CB 0.271 41.051 40.800 -0.033 0.000 0.947 259 D HN 0.384 nan 8.370 nan 0.000 0.494 260 C N -1.303 117.883 119.300 -0.189 0.000 2.535 260 C HA 0.263 4.723 4.460 0.001 0.000 0.310 260 C C 1.639 176.325 174.990 -0.507 0.000 1.344 260 C CA -0.188 58.595 59.018 -0.392 0.000 1.831 260 C CB -1.068 26.308 27.740 -0.606 0.000 2.284 260 C HN 0.265 nan 8.230 nan 0.000 0.523 261 F N 0.883 120.831 119.950 -0.004 0.000 2.717 261 F HA 0.292 4.819 4.527 0.001 0.000 0.297 261 F C 1.243 177.028 175.800 -0.027 0.000 1.113 261 F CA 0.250 58.242 58.000 -0.014 0.000 1.319 261 F CB -0.614 38.366 39.000 -0.033 0.000 1.097 261 F HN -0.062 nan 8.300 nan 0.000 0.595 262 T N 2.987 117.603 114.554 0.103 0.000 2.856 262 T HA 0.273 4.624 4.350 0.001 0.000 0.292 262 T C -2.397 172.323 174.700 0.032 0.000 0.980 262 T CA -1.193 60.938 62.100 0.052 0.000 1.091 262 T CB 1.091 69.966 68.868 0.012 0.000 0.936 262 T HN -0.277 nan 8.240 nan 0.000 0.503 263 P HA 0.152 nan 4.420 nan 0.000 0.267 263 P C -1.868 175.438 177.300 0.009 0.000 1.209 263 P CA -1.198 61.914 63.100 0.020 0.000 0.763 263 P CB 0.355 32.066 31.700 0.019 0.000 0.816 264 P HA -0.265 nan 4.420 nan 0.000 0.219 264 P C 1.129 178.432 177.300 0.004 0.000 1.161 264 P CA 1.606 64.707 63.100 0.003 0.000 0.909 264 P CB 0.006 31.706 31.700 0.001 0.000 0.793 265 E N -1.539 118.663 120.200 0.003 0.000 2.273 265 E HA -0.195 4.156 4.350 0.001 0.000 0.198 265 E C 2.327 178.929 176.600 0.003 0.000 1.002 265 E CA 1.940 58.342 56.400 0.003 0.000 0.828 265 E CB -0.656 29.046 29.700 0.003 0.000 0.747 265 E HN 0.245 nan 8.360 nan 0.000 0.491 266 R N -0.068 120.433 120.500 0.003 0.000 2.123 266 R HA 0.242 4.583 4.340 0.001 0.000 0.209 266 R C 2.034 178.333 176.300 -0.001 0.000 1.078 266 R CA 0.813 56.913 56.100 0.001 0.000 1.028 266 R CB -1.057 29.243 30.300 -0.000 0.000 0.939 266 R HN 0.177 nan 8.270 nan 0.000 0.463 267 L N -0.334 120.889 121.223 -0.001 0.000 2.156 267 L HA 0.285 4.626 4.340 0.001 0.000 0.208 267 L C 1.705 178.576 176.870 0.002 0.000 1.095 267 L CA 2.202 57.040 54.840 -0.004 0.000 0.770 267 L CB 0.084 42.139 42.059 -0.007 0.000 0.914 267 L HN 0.700 nan 8.230 nan 0.000 0.439 268 G N -0.633 108.171 108.800 0.006 0.000 2.157 268 G HA2 -0.266 3.694 3.960 0.001 0.000 0.239 268 G HA3 -0.266 3.694 3.960 0.001 0.000 0.239 268 G C 0.232 175.145 174.900 0.021 0.000 0.982 268 G CA 0.416 45.524 45.100 0.013 0.000 0.650 268 G HN 0.636 nan 8.290 nan 0.000 0.527 269 K N -1.621 118.789 120.400 0.017 0.000 2.597 269 K HA 0.681 5.002 4.320 0.001 0.000 0.282 269 K C -1.272 175.336 176.600 0.014 0.000 0.975 269 K CA -1.091 55.210 56.287 0.023 0.000 0.867 269 K CB 1.750 34.271 32.500 0.034 0.000 1.465 269 K HN 0.294 nan 8.250 nan 0.000 0.417 270 V N 1.784 121.708 119.914 0.016 0.000 2.383 270 V HA 0.370 4.491 4.120 0.001 0.000 0.275 270 V C 0.747 176.845 176.094 0.007 0.000 1.036 270 V CA -0.065 62.239 62.300 0.007 0.000 0.889 270 V CB 1.101 32.927 31.823 0.005 0.000 0.985 270 V HN 0.873 nan 8.190 nan 0.000 0.459 271 G N 3.150 111.946 108.800 -0.006 0.000 2.559 271 G HA2 0.360 4.321 3.960 0.001 0.000 0.235 271 G HA3 0.360 4.321 3.960 0.001 0.000 0.235 271 G C 0.740 175.635 174.900 -0.008 0.000 1.266 271 G CA 0.577 45.671 45.100 -0.010 0.000 0.847 271 G HN 0.951 nan 8.290 nan 0.000 0.583 272 T N -2.462 112.090 114.554 -0.002 0.000 3.186 272 T HA 0.129 4.479 4.350 0.001 0.000 0.292 272 T C 0.896 175.586 174.700 -0.017 0.000 0.915 272 T CA 0.238 62.332 62.100 -0.010 0.000 0.902 272 T CB 0.436 69.309 68.868 0.008 0.000 1.192 272 T HN 0.296 nan 8.240 nan 0.000 0.563 273 D N 2.056 122.461 120.400 0.008 0.000 2.149 273 D HA 0.020 4.661 4.640 0.001 0.000 0.198 273 D C 1.823 178.127 176.300 0.007 0.000 0.990 273 D CA 1.041 55.067 54.000 0.044 0.000 0.839 273 D CB -0.012 40.846 40.800 0.097 0.000 0.948 273 D HN 0.487 nan 8.370 nan 0.000 0.460 274 I N 0.337 120.884 120.570 -0.037 0.000 2.353 274 I HA -0.229 3.941 4.170 0.001 0.000 0.248 274 I C 2.053 177.897 176.117 -0.454 0.000 1.119 274 I CA 0.835 61.999 61.300 -0.227 0.000 1.417 274 I CB -0.054 37.908 38.000 -0.064 0.000 1.078 274 I HN -0.118 nan 8.210 nan 0.000 0.421 275 Q N 0.469 120.128 119.800 -0.236 0.000 2.187 275 Q HA -0.122 4.219 4.340 0.001 0.000 0.199 275 Q C 1.261 177.147 176.000 -0.190 0.000 0.957 275 Q CA 1.009 56.689 55.803 -0.204 0.000 0.857 275 Q CB -0.091 28.581 28.738 -0.109 0.000 0.929 275 Q HN 0.357 nan 8.270 nan 0.000 0.453 276 D N -0.091 120.222 120.400 -0.146 0.000 2.349 276 D HA 0.176 4.817 4.640 0.001 0.000 0.224 276 D C 0.009 176.247 176.300 -0.104 0.000 1.029 276 D CA 0.690 54.634 54.000 -0.093 0.000 0.879 276 D CB 0.079 40.855 40.800 -0.039 0.000 0.906 276 D HN 0.206 nan 8.370 nan 0.000 0.528 277 A N 0.867 123.536 122.820 -0.252 0.000 2.704 277 A HA -0.251 4.070 4.320 0.001 0.000 0.299 277 A C 0.419 178.196 177.584 0.322 0.000 1.507 277 A CA 0.663 52.605 52.037 -0.158 0.000 0.776 277 A CB -1.556 17.456 19.000 0.019 0.000 1.027 277 A HN 0.046 nan 8.150 nan 0.000 0.475 278 K N -0.588 119.950 120.400 0.230 0.000 2.326 278 K HA 0.203 4.523 4.320 0.001 0.000 0.275 278 K C 0.606 177.359 176.600 0.255 0.000 1.018 278 K CA 0.025 56.438 56.287 0.211 0.000 0.962 278 K CB 0.845 33.422 32.500 0.128 0.000 0.953 278 K HN 0.784 nan 8.250 nan 0.000 0.475 279 C N 4.349 123.571 119.300 -0.132 0.000 2.485 279 C HA 0.101 4.562 4.460 0.001 0.000 0.408 279 C C 0.831 175.807 174.990 -0.023 0.000 1.034 279 C CA -0.386 58.283 59.018 -0.582 0.000 1.267 279 C CB -2.390 24.875 27.740 -0.790 0.000 1.703 279 C HN 0.664 nan 8.230 nan 0.000 0.530 280 S N 3.711 119.467 115.700 0.093 0.000 2.672 280 S HA 0.310 4.781 4.470 0.001 0.000 0.276 280 S C 0.521 175.017 174.600 -0.173 0.000 1.207 280 S CA -0.667 57.599 58.200 0.110 0.000 1.002 280 S CB 0.579 63.865 63.200 0.144 0.000 0.998 280 S HN 0.900 nan 8.310 nan 0.000 0.542 281 W N 1.586 122.548 121.300 -0.563 0.000 2.335 281 W HA -0.072 4.589 4.660 0.001 0.000 0.311 281 W C 1.673 177.914 176.519 -0.463 0.000 1.213 281 W CA 1.280 58.113 57.345 -0.853 0.000 1.274 281 W CB -0.632 28.427 29.460 -0.668 0.000 1.148 281 W HN 0.712 nan 8.180 nan 0.000 0.498 282 L N 0.421 121.488 121.223 -0.260 0.000 2.043 282 L HA -0.267 4.074 4.340 0.001 0.000 0.212 282 L C 2.719 179.249 176.870 -0.567 0.000 1.075 282 L CA 1.679 56.180 54.840 -0.565 0.000 0.752 282 L CB -1.400 40.202 42.059 -0.762 0.000 0.891 282 L HN 0.115 nan 8.230 nan 0.000 0.432 283 A N -0.156 122.515 122.820 -0.248 0.000 1.902 283 A HA -0.167 4.154 4.320 0.001 0.000 0.217 283 A C 2.310 179.826 177.584 -0.114 0.000 1.181 283 A CA 2.037 54.054 52.037 -0.033 0.000 0.623 283 A CB -0.885 18.266 19.000 0.251 0.000 0.818 283 A HN 0.344 nan 8.150 nan 0.000 0.443 284 V N -3.065 116.731 119.914 -0.197 0.000 2.407 284 V HA -0.110 4.011 4.120 0.001 0.000 0.245 284 V C 2.150 178.028 176.094 -0.360 0.000 1.041 284 V CA 2.513 64.690 62.300 -0.204 0.000 1.040 284 V CB -1.680 30.006 31.823 -0.229 0.000 0.671 284 V HN 0.388 nan 8.190 nan 0.000 0.455 285 T N 0.639 114.818 114.554 -0.626 0.000 2.821 285 T HA -0.067 4.284 4.350 0.001 0.000 0.267 285 T C 1.494 175.943 174.700 -0.419 0.000 1.046 285 T CA 2.058 63.752 62.100 -0.677 0.000 1.139 285 T CB -0.476 67.641 68.868 -1.251 0.000 0.871 285 T HN 0.594 nan 8.240 nan 0.000 0.454 286 F N 2.000 121.662 119.950 -0.480 0.000 2.031 286 F HA -0.017 4.510 4.527 0.001 0.000 0.295 286 F C 1.969 177.547 175.800 -0.371 0.000 1.133 286 F CA 1.170 58.958 58.000 -0.354 0.000 1.188 286 F CB -0.664 38.173 39.000 -0.272 0.000 0.974 286 F HN -0.011 nan 8.300 nan 0.000 0.473 287 L N 0.416 121.391 121.223 -0.414 0.000 2.051 287 L HA -0.289 4.052 4.340 0.001 0.000 0.214 287 L C 2.699 179.338 176.870 -0.385 0.000 1.076 287 L CA 1.378 55.937 54.840 -0.468 0.000 0.758 287 L CB -1.276 40.601 42.059 -0.304 0.000 0.890 287 L HN 0.348 nan 8.230 nan 0.000 0.433 288 A N 0.260 122.896 122.820 -0.307 0.000 2.178 288 A HA -0.184 4.136 4.320 0.001 0.000 0.218 288 A C 2.173 179.608 177.584 -0.247 0.000 1.157 288 A CA 1.904 53.800 52.037 -0.235 0.000 0.689 288 A CB -0.275 18.603 19.000 -0.203 0.000 0.787 288 A HN 0.651 nan 8.150 nan 0.000 0.465 289 K N -2.339 117.858 120.400 -0.338 0.000 2.511 289 K HA 0.539 4.860 4.320 0.001 0.000 0.206 289 K C 0.838 177.223 176.600 -0.358 0.000 1.333 289 K CA 0.408 56.520 56.287 -0.292 0.000 0.957 289 K CB -0.231 32.123 32.500 -0.243 0.000 1.172 289 K HN 0.184 nan 8.250 nan 0.000 0.547 290 A N 2.300 124.753 122.820 -0.612 0.000 2.536 290 A HA 0.218 4.539 4.320 0.001 0.000 0.234 290 A C 0.418 177.783 177.584 -0.365 0.000 1.076 290 A CA 0.270 51.911 52.037 -0.661 0.000 0.769 290 A CB 0.019 18.189 19.000 -1.383 0.000 1.020 290 A HN 0.556 nan 8.150 nan 0.000 0.508 291 S N 0.793 116.348 115.700 -0.242 0.000 2.652 291 S HA 0.354 4.824 4.470 0.001 0.000 0.270 291 S C 1.197 175.735 174.600 -0.103 0.000 1.243 291 S CA -0.035 58.084 58.200 -0.135 0.000 0.999 291 S CB 1.177 64.329 63.200 -0.080 0.000 0.973 291 S HN 0.742 nan 8.310 nan 0.000 0.544 292 S N 1.476 117.138 115.700 -0.064 0.000 2.378 292 S HA -0.232 4.239 4.470 0.001 0.000 0.229 292 S C 2.254 176.851 174.600 -0.005 0.000 1.052 292 S CA 1.699 59.880 58.200 -0.033 0.000 1.084 292 S CB -1.299 61.889 63.200 -0.020 0.000 0.950 292 S HN 0.943 nan 8.310 nan 0.000 0.440 293 A N 1.345 124.166 122.820 0.003 0.000 1.865 293 A HA -0.237 4.084 4.320 0.001 0.000 0.217 293 A C 2.155 179.777 177.584 0.063 0.000 1.191 293 A CA 1.848 53.903 52.037 0.029 0.000 0.623 293 A CB -0.873 18.142 19.000 0.025 0.000 0.826 293 A HN 0.608 nan 8.150 nan 0.000 0.444 294 Q N -0.572 119.269 119.800 0.069 0.000 2.077 294 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 294 Q C 2.115 178.273 176.000 0.263 0.000 0.989 294 Q CA 1.848 57.763 55.803 0.187 0.000 0.853 294 Q CB -0.503 28.323 28.738 0.146 0.000 0.907 294 Q HN 0.476 nan 8.270 nan 0.000 0.418 295 V N 0.874 120.835 119.914 0.078 0.000 2.490 295 V HA -0.268 3.852 4.120 0.001 0.000 0.250 295 V C 2.138 178.337 176.094 0.174 0.000 1.061 295 V CA 1.701 64.053 62.300 0.086 0.000 1.064 295 V CB -0.884 30.902 31.823 -0.063 0.000 0.670 295 V HN 0.406 nan 8.190 nan 0.000 0.461 296 A N -0.538 122.357 122.820 0.124 0.000 1.855 296 A HA -0.188 4.133 4.320 0.001 0.000 0.213 296 A C 2.263 179.920 177.584 0.122 0.000 1.195 296 A CA 1.539 53.643 52.037 0.113 0.000 0.610 296 A CB -0.492 18.550 19.000 0.069 0.000 0.837 296 A HN 0.520 nan 8.150 nan 0.000 0.444 297 E N -1.234 119.035 120.200 0.114 0.000 2.118 297 E HA -0.206 4.145 4.350 0.001 0.000 0.195 297 E C 1.682 178.323 176.600 0.068 0.000 0.992 297 E CA 1.208 57.654 56.400 0.077 0.000 0.804 297 E CB -0.237 29.502 29.700 0.064 0.000 0.741 297 E HN 0.587 nan 8.360 nan 0.000 0.458 298 F N 1.936 121.857 119.950 -0.048 0.000 2.043 298 F HA -0.263 4.265 4.527 0.001 0.000 0.297 298 F C 1.894 177.618 175.800 -0.127 0.000 1.121 298 F CA 1.964 59.858 58.000 -0.177 0.000 1.199 298 F CB -0.127 38.770 39.000 -0.173 0.000 0.968 298 F HN -0.148 nan 8.300 nan 0.000 0.478 299 K N 0.059 120.454 120.400 -0.008 0.000 2.281 299 K HA -0.083 4.237 4.320 0.001 0.000 0.203 299 K C 1.979 178.612 176.600 0.055 0.000 1.046 299 K CA 1.029 57.373 56.287 0.095 0.000 0.938 299 K CB -0.469 32.232 32.500 0.335 0.000 0.737 299 K HN 0.388 nan 8.250 nan 0.000 0.458 300 A N 0.877 123.699 122.820 0.004 0.000 2.218 300 A HA 0.027 4.347 4.320 0.001 0.000 0.209 300 A C 1.264 178.821 177.584 -0.045 0.000 1.168 300 A CA 0.573 52.608 52.037 -0.003 0.000 0.804 300 A CB 0.041 19.046 19.000 0.009 0.000 0.834 300 A HN 0.249 nan 8.150 nan 0.000 0.482 301 N N -2.496 116.140 118.700 -0.107 0.000 2.211 301 N HA 0.087 4.828 4.740 0.001 0.000 0.216 301 N C -0.686 174.729 175.510 -0.158 0.000 1.240 301 N CA -0.085 52.891 53.050 -0.123 0.000 0.895 301 N CB 0.488 38.897 38.487 -0.130 0.000 1.102 301 N HN 0.442 nan 8.380 nan 0.000 0.498 302 Y N 1.492 121.530 120.300 -0.436 0.000 2.304 302 Y HA 0.375 4.926 4.550 0.001 0.000 0.327 302 Y C 1.476 177.272 175.900 -0.174 0.000 1.209 302 Y CA 1.226 59.042 58.100 -0.474 0.000 1.299 302 Y CB 0.822 38.637 38.460 -1.074 0.000 1.249 302 Y HN 0.324 nan 8.280 nan 0.000 0.519 303 G N 2.338 110.815 108.800 -0.537 0.000 2.159 303 G HA2 -0.262 3.698 3.960 0.001 0.000 0.256 303 G HA3 -0.262 3.698 3.960 0.001 0.000 0.256 303 G C 0.040 174.835 174.900 -0.175 0.000 0.977 303 G CA 0.355 45.278 45.100 -0.295 0.000 0.652 303 G HN 0.839 nan 8.290 nan 0.000 0.531 304 S N -0.872 114.721 115.700 -0.178 0.000 2.593 304 S HA 0.664 5.134 4.470 0.001 0.000 0.297 304 S C 1.355 175.888 174.600 -0.112 0.000 1.112 304 S CA 0.701 58.835 58.200 -0.111 0.000 1.043 304 S CB 1.531 64.679 63.200 -0.087 0.000 1.054 304 S HN 1.236 nan 8.310 nan 0.000 0.516 305 G N 1.610 110.365 108.800 -0.075 0.000 3.088 305 G HA2 0.123 4.084 3.960 0.001 0.000 0.217 305 G HA3 0.123 4.084 3.960 0.001 0.000 0.217 305 G C 0.060 174.928 174.900 -0.053 0.000 1.159 305 G CA -0.226 44.836 45.100 -0.063 0.000 0.760 305 G HN 0.733 nan 8.290 nan 0.000 0.550 306 D N -0.004 120.363 120.400 -0.055 0.000 2.390 306 D HA 0.211 4.852 4.640 0.001 0.000 0.249 306 D C 1.752 178.023 176.300 -0.048 0.000 1.144 306 D CA 0.298 54.271 54.000 -0.045 0.000 0.880 306 D CB 1.209 41.984 40.800 -0.041 0.000 1.182 306 D HN -0.067 nan 8.370 nan 0.000 0.451 307 S N 3.093 118.771 115.700 -0.038 0.000 2.389 307 S HA -0.328 4.143 4.470 0.001 0.000 0.229 307 S C 1.670 176.247 174.600 -0.038 0.000 1.048 307 S CA 2.093 60.272 58.200 -0.035 0.000 1.117 307 S CB -0.481 62.703 63.200 -0.026 0.000 1.020 307 S HN 0.731 nan 8.310 nan 0.000 0.430 308 E N 0.598 120.777 120.200 -0.035 0.000 2.106 308 E HA -0.165 4.186 4.350 0.001 0.000 0.192 308 E C 2.141 178.712 176.600 -0.048 0.000 0.984 308 E CA 1.039 57.418 56.400 -0.035 0.000 0.806 308 E CB -0.401 29.282 29.700 -0.027 0.000 0.750 308 E HN 0.535 nan 8.360 nan 0.000 0.458 309 K N 0.925 121.292 120.400 -0.056 0.000 2.032 309 K HA -0.097 4.223 4.320 0.001 0.000 0.209 309 K C 2.282 178.825 176.600 -0.095 0.000 1.048 309 K CA 1.559 57.802 56.287 -0.073 0.000 0.927 309 K CB -0.142 32.312 32.500 -0.076 0.000 0.712 309 K HN -0.011 nan 8.250 nan 0.000 0.441 310 V N 1.235 121.095 119.914 -0.091 0.000 2.490 310 V HA -0.253 3.868 4.120 0.001 0.000 0.250 310 V C 2.284 178.321 176.094 -0.095 0.000 1.061 310 V CA 1.985 64.224 62.300 -0.101 0.000 1.064 310 V CB -0.690 31.082 31.823 -0.086 0.000 0.670 310 V HN 0.365 nan 8.190 nan 0.000 0.461 311 A N -0.255 122.523 122.820 -0.070 0.000 1.898 311 A HA -0.188 4.133 4.320 0.001 0.000 0.216 311 A C 2.398 179.942 177.584 -0.066 0.000 1.181 311 A CA 2.244 54.250 52.037 -0.053 0.000 0.620 311 A CB -0.908 18.073 19.000 -0.031 0.000 0.819 311 A HN 0.473 nan 8.150 nan 0.000 0.442 312 T N -0.105 114.402 114.554 -0.078 0.000 2.803 312 T HA -0.116 4.235 4.350 0.001 0.000 0.269 312 T C 1.813 176.419 174.700 -0.156 0.000 1.052 312 T CA 1.628 63.676 62.100 -0.088 0.000 1.136 312 T CB -0.349 68.471 68.868 -0.080 0.000 0.864 312 T HN 0.191 nan 8.240 nan 0.000 0.467 313 V N 1.312 121.094 119.914 -0.220 0.000 2.548 313 V HA -0.115 4.006 4.120 0.001 0.000 0.249 313 V C 2.496 178.265 176.094 -0.541 0.000 1.055 313 V CA 1.393 63.439 62.300 -0.423 0.000 1.065 313 V CB -0.575 31.034 31.823 -0.358 0.000 0.681 313 V HN 0.402 nan 8.190 nan 0.000 0.462 314 R N -0.071 120.286 120.500 -0.239 0.000 2.062 314 R HA -0.084 4.256 4.340 0.001 0.000 0.231 314 R C 2.580 178.915 176.300 0.058 0.000 1.136 314 R CA 1.183 57.253 56.100 -0.051 0.000 0.948 314 R CB -0.512 29.790 30.300 0.004 0.000 0.845 314 R HN 0.262 nan 8.270 nan 0.000 0.430 315 R N 1.520 122.025 120.500 0.008 0.000 2.133 315 R HA -0.164 4.177 4.340 0.001 0.000 0.247 315 R C 1.984 178.309 176.300 0.042 0.000 1.151 315 R CA 1.599 57.722 56.100 0.039 0.000 0.971 315 R CB -0.389 29.915 30.300 0.006 0.000 0.866 315 R HN 0.289 nan 8.270 nan 0.000 0.447 316 L N -0.866 120.322 121.223 -0.058 0.000 2.240 316 L HA -0.110 4.231 4.340 0.001 0.000 0.211 316 L C 2.150 179.077 176.870 0.095 0.000 1.106 316 L CA 0.512 55.334 54.840 -0.030 0.000 0.793 316 L CB -0.429 41.492 42.059 -0.231 0.000 0.927 316 L HN 0.097 nan 8.230 nan 0.000 0.446 317 Y N 0.693 120.978 120.300 -0.026 0.000 2.263 317 Y HA -0.162 4.388 4.550 0.001 0.000 0.292 317 Y C 2.491 178.525 175.900 0.222 0.000 1.130 317 Y CA 0.622 58.781 58.100 0.099 0.000 1.179 317 Y CB -0.431 38.121 38.460 0.152 0.000 0.998 317 Y HN 0.249 nan 8.280 nan 0.000 0.532 318 E N 0.037 120.462 120.200 0.375 0.000 2.016 318 E HA -0.172 4.179 4.350 0.001 0.000 0.190 318 E C 1.985 178.664 176.600 0.132 0.000 0.985 318 E CA 1.270 57.786 56.400 0.193 0.000 0.802 318 E CB -0.156 29.634 29.700 0.150 0.000 0.762 318 E HN 0.520 nan 8.360 nan 0.000 0.448 319 E N 0.674 120.957 120.200 0.138 0.000 2.160 319 E HA -0.183 4.168 4.350 0.001 0.000 0.195 319 E C 1.824 178.496 176.600 0.121 0.000 0.991 319 E CA 0.847 57.312 56.400 0.108 0.000 0.810 319 E CB -0.142 29.620 29.700 0.103 0.000 0.742 319 E HN 0.198 nan 8.360 nan 0.000 0.466 320 A N 1.785 124.723 122.820 0.196 0.000 2.239 320 A HA -0.110 4.211 4.320 0.001 0.000 0.209 320 A C 0.544 178.191 177.584 0.104 0.000 1.171 320 A CA 0.801 52.945 52.037 0.179 0.000 0.768 320 A CB -0.460 18.769 19.000 0.382 0.000 0.790 320 A HN 0.361 nan 8.150 nan 0.000 0.478 321 D N -1.426 119.030 120.400 0.094 0.000 2.904 321 D HA -0.171 4.470 4.640 0.001 0.000 0.231 321 D C 0.210 176.551 176.300 0.068 0.000 1.185 321 D CA 0.558 54.591 54.000 0.056 0.000 0.783 321 D CB -1.426 39.397 40.800 0.037 0.000 0.961 321 D HN 0.446 nan 8.370 nan 0.000 0.409 322 L N 1.017 122.292 121.223 0.086 0.000 2.599 322 L HA -0.015 4.326 4.340 0.001 0.000 0.230 322 L C 2.307 179.309 176.870 0.220 0.000 1.141 322 L CA 0.271 55.181 54.840 0.116 0.000 0.877 322 L CB -0.242 41.870 42.059 0.089 0.000 1.009 322 L HN 0.443 nan 8.230 nan 0.000 0.447 323 Q N -0.224 119.657 119.800 0.135 0.000 2.163 323 Q HA -0.024 4.317 4.340 0.001 0.000 0.198 323 Q C 2.335 178.470 176.000 0.225 0.000 0.954 323 Q CA 1.185 57.094 55.803 0.177 0.000 0.851 323 Q CB -0.229 28.535 28.738 0.042 0.000 0.928 323 Q HN 0.536 nan 8.270 nan 0.000 0.459 324 G N 1.952 110.839 108.800 0.145 0.000 2.450 324 G HA2 -0.256 3.704 3.960 0.001 0.000 0.220 324 G HA3 -0.256 3.704 3.960 0.001 0.000 0.220 324 G C 0.919 175.919 174.900 0.166 0.000 1.130 324 G CA 1.193 46.367 45.100 0.123 0.000 0.760 324 G HN 0.250 nan 8.290 nan 0.000 0.557 325 D N -0.934 119.605 120.400 0.230 0.000 2.213 325 D HA -0.036 4.604 4.640 0.001 0.000 0.205 325 D C 1.884 178.467 176.300 0.472 0.000 0.961 325 D CA 0.386 54.564 54.000 0.296 0.000 0.853 325 D CB -0.313 40.630 40.800 0.238 0.000 0.967 325 D HN 0.383 nan 8.370 nan 0.000 0.496 326 Y N 2.199 122.748 120.300 0.415 0.000 2.114 326 Y HA -0.211 4.340 4.550 0.001 0.000 0.284 326 Y C 2.191 178.212 175.900 0.200 0.000 1.143 326 Y CA 1.175 59.432 58.100 0.261 0.000 1.135 326 Y CB -0.460 38.080 38.460 0.134 0.000 0.980 326 Y HN -0.233 nan 8.280 nan 0.000 0.499 327 V N 0.713 120.667 119.914 0.068 0.000 2.469 327 V HA -0.330 3.790 4.120 0.001 0.000 0.251 327 V C 2.644 178.712 176.094 -0.044 0.000 1.064 327 V CA 1.754 64.022 62.300 -0.053 0.000 1.066 327 V CB -1.656 30.201 31.823 0.056 0.000 0.667 327 V HN 0.584 nan 8.190 nan 0.000 0.461 328 A N -0.701 122.150 122.820 0.050 0.000 1.898 328 A HA -0.229 4.091 4.320 0.001 0.000 0.216 328 A C 2.171 179.788 177.584 0.054 0.000 1.181 328 A CA 1.873 53.945 52.037 0.058 0.000 0.620 328 A CB -0.733 18.329 19.000 0.103 0.000 0.819 328 A HN 0.621 nan 8.150 nan 0.000 0.442 329 Y N 0.766 121.052 120.300 -0.024 0.000 2.145 329 Y HA -0.217 4.333 4.550 0.001 0.000 0.286 329 Y C 2.277 178.091 175.900 -0.143 0.000 1.145 329 Y CA 2.230 60.307 58.100 -0.039 0.000 1.148 329 Y CB -0.560 37.903 38.460 0.005 0.000 0.981 329 Y HN 0.516 nan 8.280 nan 0.000 0.507 330 E N 0.092 120.038 120.200 -0.423 0.000 2.085 330 E HA -0.253 4.097 4.350 0.001 0.000 0.194 330 E C 2.247 178.648 176.600 -0.331 0.000 0.994 330 E CA 1.355 57.456 56.400 -0.499 0.000 0.801 330 E CB -0.383 29.077 29.700 -0.400 0.000 0.743 330 E HN 0.576 nan 8.360 nan 0.000 0.453 331 A N 1.149 123.854 122.820 -0.191 0.000 1.898 331 A HA -0.069 4.252 4.320 0.001 0.000 0.216 331 A C 2.430 179.909 177.584 -0.174 0.000 1.181 331 A CA 1.779 53.744 52.037 -0.120 0.000 0.620 331 A CB -0.851 18.112 19.000 -0.061 0.000 0.819 331 A HN 0.434 nan 8.150 nan 0.000 0.442 332 A N -0.430 122.278 122.820 -0.186 0.000 1.883 332 A HA -0.056 4.265 4.320 0.001 0.000 0.217 332 A C 2.251 179.669 177.584 -0.276 0.000 1.186 332 A CA 2.058 53.989 52.037 -0.177 0.000 0.624 332 A CB -1.017 17.921 19.000 -0.103 0.000 0.822 332 A HN 0.435 nan 8.150 nan 0.000 0.444 333 V N -0.201 119.447 119.914 -0.443 0.000 2.307 333 V HA -0.204 3.917 4.120 0.001 0.000 0.245 333 V C 3.062 178.841 176.094 -0.524 0.000 1.045 333 V CA 1.820 63.801 62.300 -0.531 0.000 1.024 333 V CB -1.477 29.885 31.823 -0.769 0.000 0.651 333 V HN 0.624 nan 8.190 nan 0.000 0.449 334 A N -0.106 122.462 122.820 -0.420 0.000 1.903 334 A HA -0.338 3.982 4.320 0.001 0.000 0.219 334 A C 2.345 179.713 177.584 -0.361 0.000 1.191 334 A CA 2.359 54.199 52.037 -0.328 0.000 0.638 334 A CB -0.604 18.283 19.000 -0.188 0.000 0.823 334 A HN 0.640 nan 8.150 nan 0.000 0.451 335 E N -0.749 119.285 120.200 -0.276 0.000 2.106 335 E HA -0.241 4.110 4.350 0.001 0.000 0.192 335 E C 2.149 178.597 176.600 -0.252 0.000 0.984 335 E CA 1.363 57.628 56.400 -0.225 0.000 0.806 335 E CB -0.177 29.426 29.700 -0.161 0.000 0.750 335 E HN 0.789 nan 8.360 nan 0.000 0.458 336 Q N -0.025 119.601 119.800 -0.290 0.000 2.123 336 Q HA -0.079 4.261 4.340 0.001 0.000 0.199 336 Q C 2.230 178.020 176.000 -0.351 0.000 0.966 336 Q CA 1.044 56.682 55.803 -0.275 0.000 0.845 336 Q CB 0.341 28.927 28.738 -0.255 0.000 0.907 336 Q HN 0.175 nan 8.270 nan 0.000 0.439 337 V N 0.962 120.565 119.914 -0.518 0.000 2.307 337 V HA -0.239 3.882 4.120 0.001 0.000 0.245 337 V C 2.347 178.127 176.094 -0.523 0.000 1.045 337 V CA 1.422 63.322 62.300 -0.666 0.000 1.024 337 V CB -0.484 30.580 31.823 -1.265 0.000 0.651 337 V HN 0.260 nan 8.190 nan 0.000 0.449 338 K N 0.750 120.876 120.400 -0.457 0.000 2.015 338 K HA -0.255 4.066 4.320 0.001 0.000 0.216 338 K C 2.214 178.679 176.600 -0.225 0.000 1.052 338 K CA 2.475 58.581 56.287 -0.301 0.000 0.937 338 K CB -0.526 31.838 32.500 -0.226 0.000 0.719 338 K HN 0.833 nan 8.250 nan 0.000 0.446 339 E N 0.296 120.374 120.200 -0.202 0.000 2.153 339 E HA -0.166 4.184 4.350 0.001 0.000 0.194 339 E C 2.338 178.847 176.600 -0.150 0.000 0.988 339 E CA 0.833 57.142 56.400 -0.152 0.000 0.811 339 E CB -0.434 29.187 29.700 -0.131 0.000 0.746 339 E HN 0.224 nan 8.360 nan 0.000 0.466 340 L N 0.781 121.890 121.223 -0.189 0.000 2.056 340 L HA -0.116 4.225 4.340 0.001 0.000 0.207 340 L C 2.665 179.440 176.870 -0.158 0.000 1.078 340 L CA 0.938 55.676 54.840 -0.170 0.000 0.749 340 L CB -0.257 41.679 42.059 -0.206 0.000 0.901 340 L HN 0.179 nan 8.230 nan 0.000 0.433 341 I N -0.483 119.970 120.570 -0.196 0.000 2.335 341 I HA -0.261 3.909 4.170 0.001 0.000 0.251 341 I C 2.463 178.511 176.117 -0.115 0.000 1.129 341 I CA 0.968 62.165 61.300 -0.171 0.000 1.402 341 I CB -0.244 37.639 38.000 -0.195 0.000 1.069 341 I HN 0.308 nan 8.210 nan 0.000 0.424 342 E N 1.055 121.191 120.200 -0.108 0.000 2.106 342 E HA -0.167 4.184 4.350 0.001 0.000 0.192 342 E C 2.089 178.655 176.600 -0.058 0.000 0.984 342 E CA 0.985 57.340 56.400 -0.076 0.000 0.806 342 E CB -0.150 29.504 29.700 -0.075 0.000 0.750 342 E HN 0.493 nan 8.360 nan 0.000 0.458 343 K N 0.575 120.937 120.400 -0.064 0.000 2.026 343 K HA -0.074 4.247 4.320 0.001 0.000 0.208 343 K C 2.394 178.978 176.600 -0.025 0.000 1.048 343 K CA 0.813 57.074 56.287 -0.044 0.000 0.929 343 K CB -0.244 32.226 32.500 -0.050 0.000 0.713 343 K HN 0.090 nan 8.250 nan 0.000 0.439 344 L N 0.760 121.965 121.223 -0.030 0.000 2.012 344 L HA -0.222 4.119 4.340 0.001 0.000 0.210 344 L C 2.724 179.606 176.870 0.020 0.000 1.073 344 L CA 1.309 56.153 54.840 0.008 0.000 0.748 344 L CB -0.343 41.707 42.059 -0.016 0.000 0.891 344 L HN 0.235 nan 8.230 nan 0.000 0.431 345 R N -0.417 120.079 120.500 -0.008 0.000 2.117 345 R HA -0.222 4.119 4.340 0.001 0.000 0.243 345 R C 2.216 178.519 176.300 0.005 0.000 1.143 345 R CA 1.262 57.362 56.100 -0.001 0.000 0.968 345 R CB -0.292 29.997 30.300 -0.020 0.000 0.863 345 R HN 0.195 nan 8.270 nan 0.000 0.444 346 L N -0.584 120.638 121.223 -0.002 0.000 2.051 346 L HA -0.306 4.035 4.340 0.001 0.000 0.214 346 L C 2.023 178.897 176.870 0.006 0.000 1.076 346 L CA 1.825 56.664 54.840 -0.002 0.000 0.758 346 L CB -0.326 41.729 42.059 -0.007 0.000 0.890 346 L HN 0.307 nan 8.230 nan 0.000 0.433 347 C N -2.999 116.310 119.300 0.015 0.000 3.559 347 C HA 0.317 4.777 4.460 0.001 0.000 0.314 347 C C 0.938 175.945 174.990 0.028 0.000 1.419 347 C CA -0.369 58.658 59.018 0.016 0.000 1.775 347 C CB -0.134 27.613 27.740 0.011 0.000 2.430 347 C HN 0.334 nan 8.230 nan 0.000 0.686 348 S N 1.320 117.052 115.700 0.053 0.000 2.235 348 S HA 0.208 4.678 4.470 0.001 0.000 0.152 348 S C -2.233 172.430 174.600 0.105 0.000 1.649 348 S CA -0.306 57.950 58.200 0.093 0.000 1.277 348 S CB 0.753 64.052 63.200 0.166 0.000 1.299 348 S HN 0.186 nan 8.310 nan 0.000 0.388 349 P HA -0.074 nan 4.420 nan 0.000 0.214 349 P C 1.900 179.235 177.300 0.059 0.000 1.163 349 P CA 1.198 64.324 63.100 0.043 0.000 0.883 349 P CB -0.040 31.675 31.700 0.025 0.000 0.788 350 G N -1.041 107.802 108.800 0.073 0.000 2.440 350 G HA2 -0.304 3.656 3.960 0.001 0.000 0.218 350 G HA3 -0.304 3.656 3.960 0.001 0.000 0.218 350 G C 1.423 176.409 174.900 0.144 0.000 1.154 350 G CA 0.449 45.599 45.100 0.083 0.000 0.767 350 G HN 0.137 nan 8.290 nan 0.000 0.552 351 F N 2.470 122.410 119.950 -0.017 0.000 2.113 351 F HA 0.100 4.628 4.527 0.001 0.000 0.297 351 F C 2.845 178.634 175.800 -0.018 0.000 1.103 351 F CA 0.827 58.815 58.000 -0.019 0.000 1.248 351 F CB -0.729 38.258 39.000 -0.021 0.000 0.999 351 F HN 0.241 nan 8.300 nan 0.000 0.475 352 A N 0.377 123.190 122.820 -0.011 0.000 1.917 352 A HA -0.172 4.148 4.320 0.001 0.000 0.219 352 A C 2.469 179.985 177.584 -0.114 0.000 1.182 352 A CA 2.270 54.234 52.037 -0.122 0.000 0.633 352 A CB -1.600 17.371 19.000 -0.049 0.000 0.819 352 A HN 0.497 nan 8.150 nan 0.000 0.448 353 A N 0.272 123.064 122.820 -0.048 0.000 1.883 353 A HA -0.132 4.188 4.320 0.001 0.000 0.217 353 A C 2.533 180.087 177.584 -0.049 0.000 1.186 353 A CA 2.565 54.582 52.037 -0.033 0.000 0.624 353 A CB -1.067 17.931 19.000 -0.003 0.000 0.822 353 A HN 1.109 nan 8.150 nan 0.000 0.444 354 S N -0.477 115.185 115.700 -0.063 0.000 2.402 354 S HA -0.090 4.380 4.470 0.001 0.000 0.229 354 S C 1.675 176.199 174.600 -0.125 0.000 1.021 354 S CA 1.351 59.508 58.200 -0.071 0.000 0.974 354 S CB -0.782 62.400 63.200 -0.029 0.000 0.800 354 S HN 0.259 nan 8.310 nan 0.000 0.484 355 V N 2.198 121.975 119.914 -0.228 0.000 2.548 355 V HA -0.080 4.041 4.120 0.001 0.000 0.249 355 V C 2.867 178.930 176.094 -0.053 0.000 1.055 355 V CA 1.650 63.822 62.300 -0.215 0.000 1.065 355 V CB -0.713 30.897 31.823 -0.355 0.000 0.681 355 V HN 0.489 nan 8.190 nan 0.000 0.462 356 E N 0.356 120.534 120.200 -0.037 0.000 2.051 356 E HA -0.197 4.153 4.350 0.001 0.000 0.192 356 E C 2.343 178.994 176.600 0.085 0.000 0.991 356 E CA 2.006 58.437 56.400 0.050 0.000 0.799 356 E CB -0.413 29.296 29.700 0.016 0.000 0.748 356 E HN 0.576 nan 8.360 nan 0.000 0.449 357 T N 2.234 116.803 114.554 0.025 0.000 2.684 357 T HA -0.181 4.170 4.350 0.001 0.000 0.267 357 T C 1.896 176.614 174.700 0.030 0.000 1.036 357 T CA 1.140 63.247 62.100 0.012 0.000 1.148 357 T CB -0.372 68.487 68.868 -0.016 0.000 0.863 357 T HN 0.036 nan 8.240 nan 0.000 0.436 358 L N 0.589 121.837 121.223 0.042 0.000 2.042 358 L HA -0.023 4.317 4.340 0.001 0.000 0.210 358 L C 2.067 179.065 176.870 0.213 0.000 1.076 358 L CA 1.676 56.562 54.840 0.077 0.000 0.749 358 L CB -0.917 41.179 42.059 0.063 0.000 0.893 358 L HN 0.541 nan 8.230 nan 0.000 0.432 359 W N 0.050 121.358 121.300 0.014 0.000 2.381 359 W HA -0.100 4.560 4.660 0.001 0.000 0.301 359 W C 1.924 178.490 176.519 0.079 0.000 1.205 359 W CA 0.923 58.284 57.345 0.027 0.000 1.285 359 W CB -0.338 29.078 29.460 -0.073 0.000 1.133 359 W HN 0.334 nan 8.180 nan 0.000 0.521 360 G N 1.120 109.882 108.800 -0.063 0.000 2.462 360 G HA2 -0.305 3.656 3.960 0.001 0.000 0.220 360 G HA3 -0.305 3.656 3.960 0.001 0.000 0.220 360 G C 1.492 176.319 174.900 -0.122 0.000 1.121 360 G CA 0.925 45.933 45.100 -0.153 0.000 0.758 360 G HN 0.294 nan 8.290 nan 0.000 0.559 361 K N -0.370 119.996 120.400 -0.057 0.000 2.361 361 K HA 0.079 4.400 4.320 0.001 0.000 0.196 361 K C 2.324 178.922 176.600 -0.003 0.000 1.039 361 K CA 0.947 57.215 56.287 -0.033 0.000 1.001 361 K CB 0.239 32.723 32.500 -0.026 0.000 0.795 361 K HN 0.198 nan 8.250 nan 0.000 0.495 362 T N -0.176 114.382 114.554 0.007 0.000 2.953 362 T HA -0.061 4.289 4.350 0.001 0.000 0.247 362 T C 0.107 174.819 174.700 0.020 0.000 1.029 362 T CA 0.070 62.247 62.100 0.128 0.000 1.144 362 T CB -0.222 68.867 68.868 0.368 0.000 0.870 362 T HN 0.087 nan 8.240 nan 0.000 0.446 363 Y N 3.872 123.809 120.300 -0.604 0.000 2.804 363 Y HA 0.041 4.591 4.550 0.001 0.000 0.338 363 Y C 0.779 176.547 175.900 -0.220 0.000 1.252 363 Y CA -0.434 57.269 58.100 -0.661 0.000 1.576 363 Y CB -0.639 37.061 38.460 -1.267 0.000 1.223 363 Y HN 0.202 nan 8.280 nan 0.000 0.536 364 K N 3.152 123.351 120.400 -0.335 0.000 3.088 364 K HA -0.298 4.022 4.320 0.001 0.000 0.273 364 K C 0.210 176.714 176.600 -0.160 0.000 1.111 364 K CA 1.010 57.111 56.287 -0.311 0.000 0.803 364 K CB -1.069 31.080 32.500 -0.585 0.000 1.226 364 K HN 0.867 nan 8.250 nan 0.000 0.485 365 R N 0.279 120.726 120.500 -0.088 0.000 2.827 365 R HA 0.046 4.386 4.340 0.001 0.000 0.269 365 R C 0.602 176.873 176.300 -0.049 0.000 1.048 365 R CA -0.044 56.026 56.100 -0.050 0.000 1.173 365 R CB 0.420 30.726 30.300 0.010 0.000 1.070 365 R HN 0.045 nan 8.270 nan 0.000 0.498 366 Q N 0.444 120.222 119.800 -0.037 0.000 2.580 366 Q HA 0.212 4.553 4.340 0.001 0.000 0.239 366 Q C -0.301 175.684 176.000 -0.026 0.000 0.873 366 Q CA 0.275 56.056 55.803 -0.036 0.000 0.951 366 Q CB 0.468 29.186 28.738 -0.033 0.000 1.172 366 Q HN 0.594 nan 8.270 nan 0.000 0.616 367 K N 0.000 120.391 120.400 -0.015 0.000 2.780 367 K HA 0.000 4.321 4.320 0.001 0.000 0.191 367 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 367 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 367 K HN 0.000 nan 8.250 nan 0.000 0.543