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 2zdy_1_B DATA FIRST_RESID 21 DATA SEQUENCE PREVEHFSRY SPSPLSMKQL LDFGSENACE RTSFAFLRQE LPVRLANILK DATA SEQUENCE EIDILPTQLV NTSSVQLVKS WYIQSLMDLV EFHEKSPDDQ KALSDFVDTL DATA SEQUENCE IKVRNRHHNV VPTMAQGIIE YKDACTVDPV TNQNLQYFLD RFYMNRISTR DATA SEQUENCE MLMNQHILIF SXXXTGNPSH IGSIDPNCDV VAVVQDAFEC SRMLCDQYYL DATA SEQUENCE SSPELKLTQV NGKFPDQPIH IVYVPSHLHH MLFELFKNAM RATVEHQENQ DATA SEQUENCE PSLTPIEVIV VLGKEDLTIK ISDRGGGVPL RIIDRLFSYT YSTXXXXXXX DATA SEQUENCE XXXXXXXXGF GYGLPISRLY AKYFQGDLNL YSLSGYGTDA IIYLKALSSE DATA SEQUENCE SIEKLPVFNK SAFKHYXXXX XXDDWCIP 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 21 P HA 0.000 nan 4.420 nan 0.000 0.216 21 P C 0.000 177.343 177.300 0.071 0.000 1.155 21 P CA 0.000 63.134 63.100 0.057 0.000 0.800 21 P CB 0.000 31.736 31.700 0.060 0.000 0.726 22 R N 1.247 121.786 120.500 0.065 0.000 2.073 22 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 22 R C 1.618 177.992 176.300 0.124 0.000 1.134 22 R CA 2.604 58.743 56.100 0.065 0.000 0.952 22 R CB -0.557 29.760 30.300 0.027 0.000 0.850 22 R HN 0.596 nan 8.270 nan 0.000 0.433 23 E N 0.281 120.585 120.200 0.172 0.000 2.204 23 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 23 E C 1.963 178.794 176.600 0.384 0.000 0.989 23 E CA 1.206 57.808 56.400 0.337 0.000 0.824 23 E CB -0.619 29.304 29.700 0.371 0.000 0.756 23 E HN 0.282 nan 8.360 nan 0.000 0.477 24 V N 1.574 121.627 119.914 0.232 0.000 2.343 24 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 24 V C 2.483 178.690 176.094 0.188 0.000 1.051 24 V CA 2.226 64.642 62.300 0.193 0.000 1.036 24 V CB -0.554 31.344 31.823 0.124 0.000 0.654 24 V HN 0.214 nan 8.190 nan 0.000 0.451 25 E N -0.572 119.721 120.200 0.155 0.000 2.107 25 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 25 E C 2.188 178.864 176.600 0.127 0.000 0.982 25 E CA 1.293 57.768 56.400 0.125 0.000 0.809 25 E CB -0.389 29.363 29.700 0.088 0.000 0.756 25 E HN 0.737 nan 8.360 nan 0.000 0.459 26 H N -1.123 117.962 119.070 0.027 0.000 2.270 26 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 26 H C 1.505 176.800 175.328 -0.055 0.000 1.077 26 H CA 1.793 57.785 56.048 -0.093 0.000 1.294 26 H CB -0.256 29.375 29.762 -0.218 0.000 1.371 26 H HN 0.272 nan 8.280 nan 0.000 0.491 27 F N 1.119 121.085 119.950 0.026 0.000 2.502 27 F HA -0.111 4.415 4.527 -0.000 0.000 0.298 27 F C 2.873 178.761 175.800 0.146 0.000 1.111 27 F CA 0.925 58.990 58.000 0.108 0.000 1.445 27 F CB -0.010 39.028 39.000 0.063 0.000 1.081 27 F HN 0.243 nan 8.300 nan 0.000 0.558 28 S N -0.033 115.809 115.700 0.237 0.000 2.561 28 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 28 S C 1.833 176.512 174.600 0.131 0.000 0.977 28 S CA 0.185 58.506 58.200 0.201 0.000 0.926 28 S CB -0.326 62.992 63.200 0.198 0.000 0.769 28 S HN 0.369 nan 8.310 nan 0.000 0.533 29 R N -0.424 120.075 120.500 -0.001 0.000 2.200 29 R HA 0.158 4.498 4.340 -0.000 0.000 0.208 29 R C -0.260 175.913 176.300 -0.211 0.000 1.033 29 R CA 0.307 56.317 56.100 -0.149 0.000 1.000 29 R CB -0.143 29.979 30.300 -0.298 0.000 0.906 29 R HN 0.501 nan 8.270 nan 0.000 0.462 30 Y N 1.049 121.320 120.300 -0.047 0.000 2.304 30 Y HA 0.032 4.582 4.550 -0.000 0.000 0.327 30 Y C 1.031 176.949 175.900 0.030 0.000 1.209 30 Y CA -0.519 57.575 58.100 -0.011 0.000 1.299 30 Y CB 0.846 39.309 38.460 0.005 0.000 1.249 30 Y HN -0.081 nan 8.280 nan 0.000 0.519 31 S N 3.531 119.344 115.700 0.188 0.000 2.578 31 S HA 0.554 5.024 4.470 -0.000 0.000 0.283 31 S C -2.746 171.930 174.600 0.126 0.000 1.195 31 S CA -1.691 56.590 58.200 0.134 0.000 1.050 31 S CB 1.152 64.408 63.200 0.092 0.000 1.012 31 S HN 0.386 nan 8.310 nan 0.000 0.511 32 P HA 0.198 nan 4.420 nan 0.000 0.269 32 P C -0.810 176.537 177.300 0.079 0.000 1.209 32 P CA -0.332 62.809 63.100 0.067 0.000 0.776 32 P CB 0.443 32.172 31.700 0.049 0.000 0.876 33 S N 3.816 119.572 115.700 0.093 0.000 2.423 33 S HA 0.342 4.812 4.470 -0.000 0.000 0.317 33 S C -2.096 172.589 174.600 0.142 0.000 1.065 33 S CA -1.070 57.208 58.200 0.128 0.000 1.111 33 S CB 0.253 63.568 63.200 0.190 0.000 0.968 33 S HN 0.414 nan 8.310 nan 0.000 0.474 34 P HA 0.265 nan 4.420 nan 0.000 0.275 34 P C -0.923 176.415 177.300 0.064 0.000 1.227 34 P CA -0.343 62.797 63.100 0.068 0.000 0.781 34 P CB 0.677 32.396 31.700 0.032 0.000 0.906 35 L N 1.708 122.972 121.223 0.069 0.000 2.334 35 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 35 L C 1.077 177.997 176.870 0.082 0.000 1.013 35 L CA -0.835 54.033 54.840 0.047 0.000 0.816 35 L CB 1.870 43.953 42.059 0.039 0.000 1.278 35 L HN 0.432 nan 8.230 nan 0.000 0.431 36 S N 1.394 117.117 115.700 0.039 0.000 2.617 36 S HA 0.186 4.656 4.470 -0.000 0.000 0.269 36 S C 0.812 175.394 174.600 -0.029 0.000 1.292 36 S CA -0.595 57.620 58.200 0.026 0.000 1.010 36 S CB 1.259 64.454 63.200 -0.008 0.000 0.944 36 S HN 0.754 nan 8.310 nan 0.000 0.536 37 M N 1.403 120.889 119.600 -0.189 0.000 2.213 37 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 37 M C 2.116 178.324 176.300 -0.153 0.000 1.062 37 M CA 1.704 56.807 55.300 -0.328 0.000 1.105 37 M CB -0.361 31.894 32.600 -0.575 0.000 1.385 37 M HN 0.899 nan 8.290 nan 0.000 0.417 38 K N -0.466 119.874 120.400 -0.101 0.000 2.025 38 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 38 K C 1.923 178.509 176.600 -0.024 0.000 1.049 38 K CA 1.764 58.019 56.287 -0.054 0.000 0.933 38 K CB -0.152 32.326 32.500 -0.037 0.000 0.714 38 K HN 0.507 nan 8.250 nan 0.000 0.438 39 Q N 0.588 120.375 119.800 -0.022 0.000 2.061 39 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 39 Q C 2.279 178.294 176.000 0.024 0.000 0.984 39 Q CA 1.841 57.637 55.803 -0.010 0.000 0.846 39 Q CB -0.185 28.521 28.738 -0.053 0.000 0.902 39 Q HN 0.339 nan 8.270 nan 0.000 0.421 40 L N -0.008 121.222 121.223 0.011 0.000 2.079 40 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 40 L C 2.302 179.219 176.870 0.078 0.000 1.081 40 L CA 0.570 55.444 54.840 0.056 0.000 0.752 40 L CB -0.384 41.701 42.059 0.044 0.000 0.896 40 L HN 0.244 nan 8.230 nan 0.000 0.433 41 L N -0.102 121.133 121.223 0.020 0.000 1.982 41 L HA -0.189 4.151 4.340 -0.000 0.000 0.206 41 L C 2.102 178.989 176.870 0.029 0.000 1.078 41 L CA 1.838 56.680 54.840 0.004 0.000 0.749 41 L CB -0.735 41.306 42.059 -0.030 0.000 0.894 41 L HN 0.160 nan 8.230 nan 0.000 0.436 42 D N -0.870 119.550 120.400 0.033 0.000 2.220 42 D HA -0.267 4.373 4.640 -0.000 0.000 0.198 42 D C 0.588 176.936 176.300 0.080 0.000 1.001 42 D CA 1.344 55.369 54.000 0.042 0.000 0.875 42 D CB -0.271 40.557 40.800 0.046 0.000 0.921 42 D HN 0.216 nan 8.370 nan 0.000 0.454 43 F N -0.674 119.263 119.950 -0.021 0.000 2.293 43 F HA 0.499 5.026 4.527 -0.000 0.000 0.370 43 F C 1.091 176.895 175.800 0.008 0.000 1.090 43 F CA 0.152 58.153 58.000 0.002 0.000 1.133 43 F CB 1.040 40.037 39.000 -0.006 0.000 1.360 43 F HN 0.049 nan 8.300 nan 0.000 0.489 44 G N 2.425 111.079 108.800 -0.245 0.000 2.318 44 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.172 44 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.172 44 G C 0.953 175.763 174.900 -0.151 0.000 1.002 44 G CA 0.333 45.317 45.100 -0.194 0.000 0.697 44 G HN 0.893 nan 8.290 nan 0.000 0.483 45 S N -0.416 115.221 115.700 -0.106 0.000 2.460 45 S HA 0.364 4.834 4.470 -0.000 0.000 0.226 45 S C 1.587 176.139 174.600 -0.081 0.000 1.057 45 S CA 1.685 59.839 58.200 -0.078 0.000 0.948 45 S CB 0.538 63.709 63.200 -0.047 0.000 0.822 45 S HN 0.388 nan 8.310 nan 0.000 0.512 46 E N 2.215 122.361 120.200 -0.090 0.000 2.520 46 E HA 0.140 4.490 4.350 -0.000 0.000 0.201 46 E C 1.606 178.149 176.600 -0.094 0.000 0.894 46 E CA 0.955 57.309 56.400 -0.076 0.000 1.161 46 E CB -0.312 29.356 29.700 -0.054 0.000 1.137 46 E HN 0.626 nan 8.360 nan 0.000 0.510 47 N N 1.165 119.786 118.700 -0.132 0.000 2.197 47 N HA 0.044 4.784 4.740 -0.000 0.000 0.184 47 N C 0.427 175.813 175.510 -0.206 0.000 1.030 47 N CA 1.013 53.972 53.050 -0.151 0.000 0.851 47 N CB -0.445 37.947 38.487 -0.157 0.000 1.003 47 N HN 0.220 nan 8.380 nan 0.000 0.430 48 A N -0.485 122.106 122.820 -0.380 0.000 2.046 48 A HA -0.207 4.113 4.320 -0.000 0.000 0.265 48 A C 0.293 177.819 177.584 -0.098 0.000 1.343 48 A CA 0.714 52.552 52.037 -0.332 0.000 0.749 48 A CB -2.239 16.685 19.000 -0.126 0.000 1.171 48 A HN 0.760 nan 8.150 nan 0.000 0.316 49 C N 2.273 121.394 119.300 -0.298 0.000 2.322 49 C HA 0.442 4.902 4.460 -0.000 0.000 0.343 49 C C 1.629 176.612 174.990 -0.011 0.000 1.190 49 C CA 0.245 59.227 59.018 -0.060 0.000 1.704 49 C CB -0.668 27.088 27.740 0.027 0.000 2.293 49 C HN 0.960 nan 8.230 nan 0.000 0.523 50 E N 3.221 123.202 120.200 -0.365 0.000 2.209 50 E HA -0.203 4.146 4.350 -0.000 0.000 0.196 50 E C 1.834 178.312 176.600 -0.205 0.000 0.993 50 E CA 1.407 57.288 56.400 -0.864 0.000 0.819 50 E CB 0.188 29.312 29.700 -0.959 0.000 0.745 50 E HN 0.802 nan 8.360 nan 0.000 0.477 51 R N -0.359 120.104 120.500 -0.063 0.000 2.075 51 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 51 R C 2.443 178.852 176.300 0.181 0.000 1.126 51 R CA 1.986 58.114 56.100 0.046 0.000 0.963 51 R CB -0.608 29.706 30.300 0.024 0.000 0.858 51 R HN 0.133 nan 8.270 nan 0.000 0.435 52 T N -0.320 114.371 114.554 0.229 0.000 2.737 52 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 52 T C 1.920 176.745 174.700 0.210 0.000 1.038 52 T CA 1.574 63.821 62.100 0.245 0.000 1.144 52 T CB -0.392 68.710 68.868 0.391 0.000 0.866 52 T HN 0.232 nan 8.240 nan 0.000 0.434 53 S N 0.740 116.678 115.700 0.396 0.000 2.370 53 S HA -0.120 4.350 4.470 -0.000 0.000 0.226 53 S C 1.782 176.531 174.600 0.248 0.000 1.033 53 S CA 1.229 59.662 58.200 0.388 0.000 1.011 53 S CB -0.604 63.140 63.200 0.906 0.000 0.852 53 S HN 0.508 nan 8.310 nan 0.000 0.457 54 F N 2.221 122.175 119.950 0.008 0.000 2.102 54 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 54 F C 2.281 177.800 175.800 -0.469 0.000 1.105 54 F CA 1.477 59.219 58.000 -0.430 0.000 1.239 54 F CB -0.912 37.835 39.000 -0.421 0.000 0.991 54 F HN 0.258 nan 8.300 nan 0.000 0.474 55 A N 0.235 122.837 122.820 -0.364 0.000 1.902 55 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 55 A C 2.210 179.590 177.584 -0.341 0.000 1.181 55 A CA 1.634 53.411 52.037 -0.433 0.000 0.623 55 A CB -1.696 17.251 19.000 -0.088 0.000 0.818 55 A HN 0.642 nan 8.150 nan 0.000 0.443 56 F N 0.308 120.084 119.950 -0.291 0.000 2.102 56 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 56 F C 1.874 177.527 175.800 -0.246 0.000 1.105 56 F CA 1.778 59.638 58.000 -0.234 0.000 1.239 56 F CB -0.078 38.800 39.000 -0.203 0.000 0.991 56 F HN 0.129 nan 8.300 nan 0.000 0.474 57 L N 0.658 121.663 121.223 -0.363 0.000 2.240 57 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 57 L C 2.568 179.228 176.870 -0.349 0.000 1.106 57 L CA 1.034 55.657 54.840 -0.362 0.000 0.793 57 L CB -0.609 41.440 42.059 -0.017 0.000 0.927 57 L HN 0.211 nan 8.230 nan 0.000 0.446 58 R N -0.056 120.101 120.500 -0.571 0.000 2.189 58 R HA -0.200 4.139 4.340 -0.000 0.000 0.223 58 R C 2.043 178.056 176.300 -0.478 0.000 1.092 58 R CA 1.218 56.977 56.100 -0.569 0.000 0.989 58 R CB -0.243 29.412 30.300 -1.074 0.000 0.876 58 R HN 0.228 nan 8.270 nan 0.000 0.457 59 Q N 1.167 120.673 119.800 -0.490 0.000 2.134 59 Q HA -0.091 4.249 4.340 -0.000 0.000 0.195 59 Q C 1.866 177.643 176.000 -0.371 0.000 0.958 59 Q CA 1.630 57.251 55.803 -0.304 0.000 0.840 59 Q CB 0.050 28.613 28.738 -0.290 0.000 0.918 59 Q HN 0.360 nan 8.270 nan 0.000 0.467 60 E N -0.022 119.845 120.200 -0.555 0.000 2.072 60 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 60 E C 1.846 178.237 176.600 -0.348 0.000 0.985 60 E CA 1.327 57.397 56.400 -0.550 0.000 0.801 60 E CB -0.325 28.752 29.700 -1.037 0.000 0.750 60 E HN 0.472 nan 8.360 nan 0.000 0.452 61 L N 0.380 121.411 121.223 -0.320 0.000 2.017 61 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 61 L C -0.555 176.178 176.870 -0.229 0.000 1.073 61 L CA 1.351 56.054 54.840 -0.228 0.000 0.745 61 L CB -1.626 40.321 42.059 -0.187 0.000 0.894 61 L HN 0.185 nan 8.230 nan 0.000 0.432 62 P HA -0.151 nan 4.420 nan 0.000 0.216 62 P C 1.997 179.146 177.300 -0.253 0.000 1.153 62 P CA 1.215 64.084 63.100 -0.384 0.000 0.858 62 P CB 0.020 31.238 31.700 -0.804 0.000 0.789 63 V N -0.159 119.643 119.914 -0.188 0.000 2.332 63 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 63 V C 2.468 178.564 176.094 0.004 0.000 1.055 63 V CA 1.910 64.215 62.300 0.008 0.000 1.038 63 V CB -0.949 30.868 31.823 -0.011 0.000 0.651 63 V HN 0.092 nan 8.190 nan 0.000 0.450 64 R N -0.676 119.781 120.500 -0.071 0.000 2.090 64 R HA 0.020 4.360 4.340 -0.000 0.000 0.228 64 R C 2.276 178.516 176.300 -0.100 0.000 1.110 64 R CA 1.022 57.081 56.100 -0.069 0.000 0.973 64 R CB -0.293 29.948 30.300 -0.100 0.000 0.869 64 R HN 0.413 nan 8.270 nan 0.000 0.440 65 L N 0.085 121.216 121.223 -0.153 0.000 2.027 65 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 65 L C 2.641 179.485 176.870 -0.044 0.000 1.074 65 L CA 1.253 55.973 54.840 -0.200 0.000 0.745 65 L CB -0.536 41.383 42.059 -0.233 0.000 0.898 65 L HN 0.232 nan 8.230 nan 0.000 0.433 66 A N -0.223 122.603 122.820 0.010 0.000 1.930 66 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 66 A C 2.077 179.722 177.584 0.100 0.000 1.175 66 A CA 1.595 53.688 52.037 0.092 0.000 0.627 66 A CB -0.619 18.488 19.000 0.178 0.000 0.815 66 A HN 0.454 nan 8.150 nan 0.000 0.443 67 N N -0.551 118.209 118.700 0.101 0.000 2.120 67 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 67 N C 1.646 177.200 175.510 0.073 0.000 1.024 67 N CA 1.741 54.872 53.050 0.136 0.000 0.852 67 N CB -0.191 38.383 38.487 0.144 0.000 1.003 67 N HN 0.471 nan 8.380 nan 0.000 0.424 68 I N 1.437 122.044 120.570 0.062 0.000 2.500 68 I HA -0.070 4.100 4.170 -0.000 0.000 0.252 68 I C 2.078 178.277 176.117 0.136 0.000 1.142 68 I CA 0.571 61.932 61.300 0.101 0.000 1.451 68 I CB -0.094 37.979 38.000 0.120 0.000 1.093 68 I HN 0.071 nan 8.210 nan 0.000 0.430 69 L N 0.125 121.427 121.223 0.131 0.000 2.012 69 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 69 L C 2.560 179.404 176.870 -0.042 0.000 1.073 69 L CA 1.294 56.194 54.840 0.102 0.000 0.748 69 L CB -0.750 41.380 42.059 0.118 0.000 0.891 69 L HN 0.118 nan 8.230 nan 0.000 0.431 70 K N 0.017 120.347 120.400 -0.116 0.000 2.074 70 K HA -0.264 4.056 4.320 -0.000 0.000 0.209 70 K C 1.934 178.155 176.600 -0.632 0.000 1.048 70 K CA 1.585 57.688 56.287 -0.306 0.000 0.926 70 K CB -0.280 32.052 32.500 -0.280 0.000 0.713 70 K HN 0.373 nan 8.250 nan 0.000 0.444 71 E N 0.523 120.315 120.200 -0.680 0.000 2.204 71 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 71 E C 1.992 178.427 176.600 -0.274 0.000 0.989 71 E CA 0.386 56.427 56.400 -0.598 0.000 0.824 71 E CB 0.033 29.642 29.700 -0.152 0.000 0.756 71 E HN 0.225 nan 8.360 nan 0.000 0.477 72 I N 1.305 121.789 120.570 -0.144 0.000 2.286 72 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 72 I C 1.464 177.388 176.117 -0.321 0.000 1.115 72 I CA 1.021 62.185 61.300 -0.227 0.000 1.392 72 I CB -0.205 37.725 38.000 -0.118 0.000 1.065 72 I HN 0.095 nan 8.210 nan 0.000 0.418 73 D N 0.748 121.001 120.400 -0.244 0.000 2.310 73 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 73 D C 2.072 178.249 176.300 -0.204 0.000 0.965 73 D CA 0.855 54.738 54.000 -0.195 0.000 0.879 73 D CB 0.015 40.743 40.800 -0.121 0.000 0.921 73 D HN 0.281 nan 8.370 nan 0.000 0.510 74 I N 0.644 121.049 120.570 -0.275 0.000 2.830 74 I HA -0.072 4.098 4.170 -0.000 0.000 0.263 74 I C 1.133 177.037 176.117 -0.356 0.000 1.230 74 I CA 0.344 61.474 61.300 -0.283 0.000 1.480 74 I CB -0.571 37.159 38.000 -0.450 0.000 1.095 74 I HN -0.042 nan 8.210 nan 0.000 0.455 75 L N 1.737 122.698 121.223 -0.437 0.000 2.464 75 L HA 0.144 4.484 4.340 -0.000 0.000 0.264 75 L C -1.850 174.813 176.870 -0.344 0.000 1.199 75 L CA -1.553 53.001 54.840 -0.476 0.000 0.818 75 L CB -0.541 41.113 42.059 -0.675 0.000 1.102 75 L HN -0.095 nan 8.230 nan 0.000 0.473 76 P HA -0.024 nan 4.420 nan 0.000 0.265 76 P C 0.409 177.557 177.300 -0.254 0.000 1.187 76 P CA 0.159 63.115 63.100 -0.240 0.000 0.766 76 P CB 0.466 32.018 31.700 -0.246 0.000 0.820 77 T N 1.306 115.777 114.554 -0.139 0.000 2.708 77 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 77 T C 1.490 176.123 174.700 -0.112 0.000 1.037 77 T CA 1.489 63.518 62.100 -0.119 0.000 1.146 77 T CB -0.409 68.421 68.868 -0.064 0.000 0.865 77 T HN 0.546 nan 8.240 nan 0.000 0.435 78 Q N 0.203 119.977 119.800 -0.042 0.000 2.437 78 Q HA 0.063 4.403 4.340 -0.000 0.000 0.210 78 Q C 2.052 178.034 176.000 -0.031 0.000 0.972 78 Q CA 0.477 56.294 55.803 0.023 0.000 0.903 78 Q CB -0.165 28.666 28.738 0.155 0.000 0.967 78 Q HN 0.338 nan 8.270 nan 0.000 0.486 79 L N -1.078 119.963 121.223 -0.304 0.000 2.145 79 L HA -0.010 4.330 4.340 -0.000 0.000 0.201 79 L C 1.894 178.565 176.870 -0.333 0.000 1.075 79 L CA 1.135 55.688 54.840 -0.478 0.000 0.773 79 L CB -0.297 41.174 42.059 -0.980 0.000 0.936 79 L HN -0.092 nan 8.230 nan 0.000 0.451 80 V N 0.576 120.297 119.914 -0.321 0.000 2.594 80 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 80 V C 1.990 177.965 176.094 -0.199 0.000 1.069 80 V CA 2.164 64.300 62.300 -0.273 0.000 1.082 80 V CB -1.011 30.663 31.823 -0.248 0.000 0.680 80 V HN 0.564 nan 8.190 nan 0.000 0.469 81 N N -0.370 118.237 118.700 -0.154 0.000 2.446 81 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 81 N C 0.762 176.211 175.510 -0.101 0.000 1.054 81 N CA 0.491 53.474 53.050 -0.112 0.000 0.905 81 N CB 0.044 38.485 38.487 -0.078 0.000 0.973 81 N HN 0.629 nan 8.380 nan 0.000 0.448 82 T N -0.778 113.713 114.554 -0.105 0.000 2.934 82 T HA -0.078 4.272 4.350 -0.000 0.000 0.321 82 T C 1.485 176.116 174.700 -0.114 0.000 1.080 82 T CA 0.006 62.053 62.100 -0.088 0.000 1.132 82 T CB 1.040 69.858 68.868 -0.083 0.000 1.039 82 T HN 0.144 nan 8.240 nan 0.000 0.543 83 S N 1.898 117.541 115.700 -0.095 0.000 2.399 83 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 83 S C 2.199 176.702 174.600 -0.162 0.000 1.022 83 S CA 0.926 59.058 58.200 -0.114 0.000 0.983 83 S CB -0.864 62.290 63.200 -0.077 0.000 0.803 83 S HN 0.707 nan 8.310 nan 0.000 0.480 84 S N 1.593 117.210 115.700 -0.139 0.000 2.353 84 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 84 S C 1.974 176.423 174.600 -0.252 0.000 1.035 84 S CA 1.541 59.643 58.200 -0.163 0.000 1.025 84 S CB -0.648 62.495 63.200 -0.095 0.000 0.902 84 S HN 0.443 nan 8.310 nan 0.000 0.440 85 V N 1.958 121.728 119.914 -0.239 0.000 2.515 85 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 85 V C 2.545 178.449 176.094 -0.316 0.000 1.058 85 V CA 1.291 63.414 62.300 -0.296 0.000 1.064 85 V CB -0.583 31.064 31.823 -0.294 0.000 0.675 85 V HN 0.412 nan 8.190 nan 0.000 0.461 86 Q N -0.715 118.920 119.800 -0.275 0.000 2.119 86 Q HA -0.143 4.196 4.340 -0.000 0.000 0.201 86 Q C 2.246 178.020 176.000 -0.376 0.000 0.972 86 Q CA 1.304 56.949 55.803 -0.262 0.000 0.847 86 Q CB -0.387 28.235 28.738 -0.194 0.000 0.903 86 Q HN 0.444 nan 8.270 nan 0.000 0.433 87 L N -0.263 120.655 121.223 -0.507 0.000 1.976 87 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 87 L C 2.471 178.585 176.870 -1.260 0.000 1.071 87 L CA 1.294 55.565 54.840 -0.948 0.000 0.746 87 L CB -1.080 40.373 42.059 -1.011 0.000 0.890 87 L HN -0.020 nan 8.230 nan 0.000 0.432 88 V N -0.270 119.120 119.914 -0.873 0.000 2.282 88 V HA -0.382 3.738 4.120 -0.000 0.000 0.249 88 V C 2.566 178.386 176.094 -0.456 0.000 1.057 88 V CA 2.183 64.137 62.300 -0.577 0.000 1.032 88 V CB -0.702 30.863 31.823 -0.429 0.000 0.645 88 V HN 0.512 nan 8.190 nan 0.000 0.447 89 K N 0.576 120.762 120.400 -0.357 0.000 2.103 89 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 89 K C 2.357 178.922 176.600 -0.058 0.000 1.048 89 K CA 1.943 58.128 56.287 -0.170 0.000 0.930 89 K CB -0.224 32.181 32.500 -0.158 0.000 0.716 89 K HN 0.642 nan 8.250 nan 0.000 0.444 90 S N -0.644 114.963 115.700 -0.154 0.000 2.395 90 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 90 S C 1.768 176.468 174.600 0.166 0.000 1.027 90 S CA 0.298 58.477 58.200 -0.035 0.000 0.965 90 S CB -0.561 62.569 63.200 -0.117 0.000 0.812 90 S HN 0.412 nan 8.310 nan 0.000 0.482 91 W N 1.398 122.768 121.300 0.117 0.000 2.338 91 W HA 0.009 4.669 4.660 -0.000 0.000 0.304 91 W C 2.305 179.057 176.519 0.387 0.000 1.212 91 W CA 0.367 57.851 57.345 0.231 0.000 1.264 91 W CB -1.535 28.069 29.460 0.239 0.000 1.142 91 W HN 0.417 nan 8.180 nan 0.000 0.512 92 Y N -0.152 120.323 120.300 0.292 0.000 2.163 92 Y HA -0.220 4.330 4.550 -0.000 0.000 0.288 92 Y C 2.551 178.547 175.900 0.160 0.000 1.136 92 Y CA 0.923 59.131 58.100 0.180 0.000 1.147 92 Y CB -0.623 37.887 38.460 0.083 0.000 0.987 92 Y HN -0.245 nan 8.280 nan 0.000 0.509 93 I N -0.087 120.660 120.570 0.294 0.000 2.361 93 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 93 I C 2.411 178.631 176.117 0.173 0.000 1.133 93 I CA 1.154 62.563 61.300 0.182 0.000 1.413 93 I CB -0.273 37.805 38.000 0.130 0.000 1.073 93 I HN 0.275 nan 8.210 nan 0.000 0.424 94 Q N 0.950 120.883 119.800 0.223 0.000 2.046 94 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 94 Q C 2.271 178.376 176.000 0.175 0.000 0.975 94 Q CA 2.122 58.043 55.803 0.198 0.000 0.836 94 Q CB -0.211 28.674 28.738 0.245 0.000 0.896 94 Q HN 0.339 nan 8.270 nan 0.000 0.428 95 S N 0.430 116.265 115.700 0.225 0.000 2.368 95 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 95 S C 1.808 176.454 174.600 0.077 0.000 1.030 95 S CA 1.131 59.416 58.200 0.142 0.000 0.999 95 S CB -0.489 62.841 63.200 0.217 0.000 0.844 95 S HN 0.501 nan 8.310 nan 0.000 0.459 96 L N 0.878 122.145 121.223 0.073 0.000 2.042 96 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 96 L C 2.192 179.071 176.870 0.016 0.000 1.076 96 L CA 1.325 56.165 54.840 0.000 0.000 0.749 96 L CB -0.260 41.802 42.059 0.005 0.000 0.893 96 L HN 0.252 nan 8.230 nan 0.000 0.432 97 M N -0.654 118.986 119.600 0.066 0.000 2.099 97 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 97 M C 1.937 178.295 176.300 0.097 0.000 1.067 97 M CA 1.431 56.776 55.300 0.075 0.000 1.124 97 M CB -1.443 31.206 32.600 0.083 0.000 1.353 97 M HN 0.228 nan 8.290 nan 0.000 0.410 98 D N 0.686 121.154 120.400 0.113 0.000 2.133 98 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 98 D C 2.272 178.743 176.300 0.285 0.000 1.001 98 D CA 1.314 55.412 54.000 0.163 0.000 0.844 98 D CB -0.394 40.487 40.800 0.135 0.000 0.944 98 D HN 0.317 nan 8.370 nan 0.000 0.447 99 L N 0.106 121.459 121.223 0.217 0.000 2.044 99 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 99 L C 2.566 179.665 176.870 0.382 0.000 1.075 99 L CA 0.451 55.467 54.840 0.294 0.000 0.747 99 L CB -0.383 41.723 42.059 0.079 0.000 0.903 99 L HN -0.081 nan 8.230 nan 0.000 0.435 100 V N 0.012 120.041 119.914 0.192 0.000 2.568 100 V HA -0.310 3.810 4.120 -0.000 0.000 0.253 100 V C 2.372 178.643 176.094 0.294 0.000 1.072 100 V CA 1.736 64.119 62.300 0.138 0.000 1.084 100 V CB -0.516 31.259 31.823 -0.079 0.000 0.676 100 V HN 0.467 nan 8.190 nan 0.000 0.469 101 E N -0.652 119.687 120.200 0.231 0.000 2.333 101 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 101 E C 1.617 178.244 176.600 0.045 0.000 1.007 101 E CA 1.047 57.498 56.400 0.084 0.000 0.845 101 E CB -0.065 29.610 29.700 -0.043 0.000 0.766 101 E HN 0.710 nan 8.360 nan 0.000 0.507 102 F N -1.181 118.899 119.950 0.218 0.000 2.765 102 F HA 0.086 4.613 4.527 -0.000 0.000 0.302 102 F C 1.360 177.203 175.800 0.071 0.000 1.111 102 F CA 0.165 58.266 58.000 0.168 0.000 1.359 102 F CB 0.228 39.327 39.000 0.164 0.000 1.097 102 F HN 0.082 nan 8.300 nan 0.000 0.577 103 H N -0.948 118.207 119.070 0.141 0.000 2.521 103 H HA -0.082 4.474 4.556 -0.000 0.000 0.286 103 H C 1.888 177.269 175.328 0.089 0.000 1.034 103 H CA 1.043 57.141 56.048 0.083 0.000 1.278 103 H CB 0.004 29.827 29.762 0.101 0.000 1.386 103 H HN 0.133 nan 8.280 nan 0.000 0.567 104 E N 0.122 120.439 120.200 0.195 0.000 2.318 104 E HA 0.012 4.362 4.350 -0.000 0.000 0.193 104 E C 0.281 176.940 176.600 0.097 0.000 0.998 104 E CA 0.277 56.746 56.400 0.115 0.000 0.859 104 E CB 0.347 30.087 29.700 0.067 0.000 0.812 104 E HN 0.063 nan 8.360 nan 0.000 0.492 105 K N 0.228 120.707 120.400 0.132 0.000 2.107 105 K HA 0.192 4.512 4.320 -0.000 0.000 0.251 105 K C -0.035 176.663 176.600 0.165 0.000 1.012 105 K CA -0.178 56.192 56.287 0.138 0.000 0.920 105 K CB 1.395 34.013 32.500 0.197 0.000 1.033 105 K HN -0.022 nan 8.250 nan 0.000 0.478 106 S N 1.346 117.106 115.700 0.099 0.000 2.578 106 S HA 0.284 4.754 4.470 -0.000 0.000 0.283 106 S C -1.636 172.988 174.600 0.040 0.000 1.195 106 S CA -1.627 56.623 58.200 0.083 0.000 1.050 106 S CB 0.785 64.005 63.200 0.033 0.000 1.012 106 S HN 0.295 nan 8.310 nan 0.000 0.511 107 P HA 0.003 nan 4.420 nan 0.000 0.228 107 P C 0.182 177.388 177.300 -0.156 0.000 1.151 107 P CA 0.873 63.956 63.100 -0.029 0.000 0.770 107 P CB 0.115 31.911 31.700 0.160 0.000 0.786 108 D N -0.687 119.661 120.400 -0.086 0.000 2.355 108 D HA -0.027 4.613 4.640 -0.000 0.000 0.206 108 D C 0.405 176.651 176.300 -0.091 0.000 1.010 108 D CA 0.356 54.309 54.000 -0.078 0.000 0.875 108 D CB -0.087 40.693 40.800 -0.034 0.000 0.966 108 D HN 0.160 nan 8.370 nan 0.000 0.512 109 D N 1.478 121.822 120.400 -0.094 0.000 2.401 109 D HA -0.026 4.614 4.640 -0.000 0.000 0.254 109 D C 1.066 177.292 176.300 -0.124 0.000 1.192 109 D CA 0.448 54.400 54.000 -0.081 0.000 0.885 109 D CB 0.984 41.754 40.800 -0.051 0.000 1.147 109 D HN -0.003 nan 8.370 nan 0.000 0.478 110 Q N 2.910 122.659 119.800 -0.085 0.000 2.204 110 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 110 Q C 1.438 177.411 176.000 -0.044 0.000 0.946 110 Q CA 0.448 56.200 55.803 -0.085 0.000 0.859 110 Q CB 0.064 28.767 28.738 -0.058 0.000 0.946 110 Q HN 0.330 nan 8.270 nan 0.000 0.474 111 K N 1.529 121.920 120.400 -0.016 0.000 2.286 111 K HA -0.163 4.157 4.320 -0.000 0.000 0.203 111 K C 1.517 178.151 176.600 0.057 0.000 1.045 111 K CA 1.389 57.688 56.287 0.020 0.000 0.935 111 K CB -0.189 32.320 32.500 0.016 0.000 0.737 111 K HN 0.190 nan 8.250 nan 0.000 0.460 112 A N 0.133 122.963 122.820 0.017 0.000 1.887 112 A HA 0.103 4.423 4.320 -0.000 0.000 0.212 112 A C 2.069 179.648 177.584 -0.009 0.000 1.198 112 A CA 0.760 52.847 52.037 0.083 0.000 0.628 112 A CB -0.389 18.595 19.000 -0.026 0.000 0.847 112 A HN 0.258 nan 8.150 nan 0.000 0.449 113 L N -0.300 120.788 121.223 -0.224 0.000 2.079 113 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 113 L C 2.875 179.775 176.870 0.049 0.000 1.081 113 L CA 1.727 56.435 54.840 -0.220 0.000 0.752 113 L CB -0.459 41.464 42.059 -0.227 0.000 0.896 113 L HN 0.521 nan 8.230 nan 0.000 0.433 114 S N -0.523 115.211 115.700 0.057 0.000 2.395 114 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 114 S C 1.549 176.234 174.600 0.142 0.000 1.027 114 S CA 1.163 59.419 58.200 0.093 0.000 0.965 114 S CB -0.072 63.163 63.200 0.059 0.000 0.812 114 S HN 0.369 nan 8.310 nan 0.000 0.482 115 D N 0.378 120.902 120.400 0.205 0.000 2.178 115 D HA -0.008 4.632 4.640 -0.000 0.000 0.202 115 D C 1.466 177.947 176.300 0.303 0.000 0.974 115 D CA 0.627 54.799 54.000 0.286 0.000 0.841 115 D CB -0.436 40.598 40.800 0.390 0.000 0.953 115 D HN 0.447 nan 8.370 nan 0.000 0.478 116 F N 1.339 121.306 119.950 0.027 0.000 2.134 116 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 116 F C 2.159 177.885 175.800 -0.124 0.000 1.097 116 F CA 0.872 58.644 58.000 -0.380 0.000 1.264 116 F CB -0.330 38.465 39.000 -0.343 0.000 1.001 116 F HN -0.214 nan 8.300 nan 0.000 0.479 117 V N 0.495 120.459 119.914 0.084 0.000 2.287 117 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 117 V C 2.138 178.210 176.094 -0.037 0.000 1.053 117 V CA 2.299 64.638 62.300 0.065 0.000 1.027 117 V CB -0.730 31.188 31.823 0.157 0.000 0.646 117 V HN 0.286 nan 8.190 nan 0.000 0.447 118 D N -0.312 120.091 120.400 0.006 0.000 2.117 118 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 118 D C 2.284 178.558 176.300 -0.043 0.000 0.987 118 D CA 1.834 55.836 54.000 0.003 0.000 0.829 118 D CB -0.507 40.325 40.800 0.054 0.000 0.961 118 D HN 0.389 nan 8.370 nan 0.000 0.460 119 T N 1.146 115.664 114.554 -0.060 0.000 2.788 119 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 119 T C 1.883 176.440 174.700 -0.237 0.000 1.044 119 T CA 0.369 62.417 62.100 -0.087 0.000 1.139 119 T CB -0.160 68.707 68.868 -0.001 0.000 0.867 119 T HN -0.012 nan 8.240 nan 0.000 0.454 120 L N 0.678 121.665 121.223 -0.394 0.000 2.046 120 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 120 L C 2.212 178.957 176.870 -0.209 0.000 1.077 120 L CA 1.342 55.959 54.840 -0.372 0.000 0.747 120 L CB -0.729 41.075 42.059 -0.426 0.000 0.896 120 L HN 0.310 nan 8.230 nan 0.000 0.432 121 I N -0.795 119.689 120.570 -0.144 0.000 2.226 121 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 121 I C 2.538 178.589 176.117 -0.110 0.000 1.100 121 I CA 1.246 62.487 61.300 -0.098 0.000 1.374 121 I CB -0.317 37.648 38.000 -0.060 0.000 1.057 121 I HN 0.287 nan 8.210 nan 0.000 0.413 122 K N 1.081 121.418 120.400 -0.106 0.000 2.057 122 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 122 K C 2.050 178.552 176.600 -0.162 0.000 1.049 122 K CA 1.556 57.781 56.287 -0.104 0.000 0.931 122 K CB -0.009 32.453 32.500 -0.063 0.000 0.714 122 K HN 0.108 nan 8.250 nan 0.000 0.440 123 V N 1.399 121.185 119.914 -0.213 0.000 2.358 123 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 123 V C 2.578 178.404 176.094 -0.446 0.000 1.047 123 V CA 1.894 63.974 62.300 -0.366 0.000 1.035 123 V CB -0.588 31.024 31.823 -0.352 0.000 0.658 123 V HN 0.394 nan 8.190 nan 0.000 0.452 124 R N 0.135 120.482 120.500 -0.254 0.000 2.115 124 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 124 R C 2.020 178.264 176.300 -0.092 0.000 1.111 124 R CA 1.782 57.794 56.100 -0.145 0.000 0.976 124 R CB -0.235 30.018 30.300 -0.079 0.000 0.870 124 R HN 0.656 nan 8.270 nan 0.000 0.445 125 N N -0.292 118.332 118.700 -0.127 0.000 2.300 125 N HA -0.112 4.628 4.740 -0.000 0.000 0.179 125 N C 1.827 177.261 175.510 -0.125 0.000 1.016 125 N CA 0.399 53.383 53.050 -0.111 0.000 0.876 125 N CB 0.018 38.432 38.487 -0.122 0.000 0.979 125 N HN 0.128 nan 8.380 nan 0.000 0.432 126 R N 0.588 120.969 120.500 -0.200 0.000 2.115 126 R HA -0.039 4.301 4.340 -0.000 0.000 0.226 126 R C 0.827 177.013 176.300 -0.189 0.000 1.100 126 R CA 1.242 57.174 56.100 -0.281 0.000 0.980 126 R CB 0.004 30.166 30.300 -0.230 0.000 0.875 126 R HN 0.495 nan 8.270 nan 0.000 0.445 127 H N -2.224 116.794 119.070 -0.087 0.000 2.551 127 H HA -0.010 4.546 4.556 -0.000 0.000 0.271 127 H C 1.182 176.546 175.328 0.060 0.000 0.984 127 H CA -0.004 56.072 56.048 0.046 0.000 1.164 127 H CB 0.347 30.207 29.762 0.163 0.000 1.437 127 H HN 0.312 nan 8.280 nan 0.000 0.550 128 H N 1.810 120.897 119.070 0.027 0.000 2.353 128 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 128 H C 1.277 176.640 175.328 0.058 0.000 1.103 128 H CA 1.558 57.622 56.048 0.027 0.000 1.293 128 H CB 0.153 29.899 29.762 -0.027 0.000 1.372 128 H HN 0.223 nan 8.280 nan 0.000 0.501 129 N N -0.052 118.618 118.700 -0.050 0.000 2.268 129 N HA 0.002 4.741 4.740 -0.000 0.000 0.204 129 N C 1.510 177.135 175.510 0.191 0.000 1.124 129 N CA 0.352 53.393 53.050 -0.015 0.000 0.838 129 N CB 0.588 39.092 38.487 0.029 0.000 0.994 129 N HN 0.201 nan 8.380 nan 0.000 0.489 130 V N 0.446 120.509 119.914 0.247 0.000 2.287 130 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 130 V C 2.340 178.670 176.094 0.393 0.000 1.053 130 V CA 1.427 63.964 62.300 0.395 0.000 1.027 130 V CB -0.255 31.785 31.823 0.361 0.000 0.646 130 V HN 0.070 nan 8.190 nan 0.000 0.447 131 V N 0.963 121.072 119.914 0.325 0.000 2.255 131 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 131 V C 0.252 176.537 176.094 0.318 0.000 1.051 131 V CA 2.674 65.198 62.300 0.374 0.000 1.018 131 V CB -1.957 29.958 31.823 0.153 0.000 0.641 131 V HN 0.556 nan 8.190 nan 0.000 0.445 132 P HA -0.066 nan 4.420 nan 0.000 0.222 132 P C 1.620 179.004 177.300 0.141 0.000 1.153 132 P CA 1.372 64.546 63.100 0.124 0.000 0.798 132 P CB -0.196 31.544 31.700 0.068 0.000 0.796 133 T N 0.041 114.707 114.554 0.187 0.000 2.777 133 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 133 T C 1.827 176.580 174.700 0.088 0.000 1.040 133 T CA 1.597 63.788 62.100 0.151 0.000 1.141 133 T CB -0.610 68.399 68.868 0.236 0.000 0.868 133 T HN 0.038 nan 8.240 nan 0.000 0.444 134 M N 2.111 121.794 119.600 0.139 0.000 2.132 134 M HA 0.223 4.703 4.480 -0.000 0.000 0.263 134 M C 2.333 178.726 176.300 0.155 0.000 1.065 134 M CA 1.295 56.627 55.300 0.053 0.000 1.122 134 M CB -0.905 31.706 32.600 0.018 0.000 1.365 134 M HN 0.172 nan 8.290 nan 0.000 0.411 135 A N -0.519 122.479 122.820 0.297 0.000 1.940 135 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 135 A C 2.119 179.809 177.584 0.176 0.000 1.176 135 A CA 2.047 54.287 52.037 0.339 0.000 0.631 135 A CB -0.933 18.165 19.000 0.163 0.000 0.814 135 A HN 0.639 nan 8.150 nan 0.000 0.446 136 Q N -0.069 119.780 119.800 0.081 0.000 2.119 136 Q HA 0.002 4.342 4.340 -0.000 0.000 0.201 136 Q C 1.940 177.954 176.000 0.023 0.000 0.972 136 Q CA 1.998 57.811 55.803 0.017 0.000 0.847 136 Q CB -1.021 27.721 28.738 0.006 0.000 0.903 136 Q HN 0.485 nan 8.270 nan 0.000 0.433 137 G N 0.974 109.784 108.800 0.017 0.000 2.459 137 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 137 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 137 G C 1.342 176.276 174.900 0.056 0.000 1.183 137 G CA 0.966 46.061 45.100 -0.008 0.000 0.776 137 G HN 0.373 nan 8.290 nan 0.000 0.552 138 I N 1.171 121.801 120.570 0.100 0.000 2.163 138 I HA -0.143 4.027 4.170 -0.000 0.000 0.243 138 I C 2.845 179.091 176.117 0.215 0.000 1.085 138 I CA 1.035 62.450 61.300 0.191 0.000 1.347 138 I CB -0.959 37.203 38.000 0.271 0.000 1.044 138 I HN 0.207 nan 8.210 nan 0.000 0.408 139 I N 0.439 121.097 120.570 0.147 0.000 2.202 139 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 139 I C 2.599 178.740 176.117 0.040 0.000 1.091 139 I CA 1.398 62.735 61.300 0.061 0.000 1.368 139 I CB -0.455 37.490 38.000 -0.092 0.000 1.058 139 I HN 0.290 nan 8.210 nan 0.000 0.410 140 E N 0.957 121.179 120.200 0.037 0.000 2.065 140 E HA -0.345 4.004 4.350 -0.000 0.000 0.201 140 E C 2.318 178.960 176.600 0.070 0.000 1.016 140 E CA 2.060 58.480 56.400 0.034 0.000 0.818 140 E CB -0.436 29.282 29.700 0.030 0.000 0.749 140 E HN 0.539 nan 8.360 nan 0.000 0.453 141 Y N 0.860 121.151 120.300 -0.015 0.000 2.145 141 Y HA -0.182 4.367 4.550 -0.000 0.000 0.286 141 Y C 2.151 178.055 175.900 0.006 0.000 1.145 141 Y CA 1.979 60.070 58.100 -0.014 0.000 1.148 141 Y CB 0.078 38.523 38.460 -0.024 0.000 0.981 141 Y HN -0.064 nan 8.280 nan 0.000 0.507 142 K N -0.128 120.250 120.400 -0.037 0.000 2.057 142 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 142 K C 1.533 178.071 176.600 -0.103 0.000 1.050 142 K CA 1.562 57.784 56.287 -0.107 0.000 0.935 142 K CB -0.193 32.351 32.500 0.072 0.000 0.715 142 K HN 0.354 nan 8.250 nan 0.000 0.439 143 D N 0.676 121.045 120.400 -0.052 0.000 2.097 143 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 143 D C 1.749 178.004 176.300 -0.075 0.000 0.989 143 D CA 1.460 55.430 54.000 -0.050 0.000 0.827 143 D CB -0.124 40.654 40.800 -0.036 0.000 0.966 143 D HN 0.210 nan 8.370 nan 0.000 0.456 144 A N -0.509 122.254 122.820 -0.094 0.000 1.930 144 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 144 A C 1.189 178.696 177.584 -0.129 0.000 1.176 144 A CA 0.525 52.510 52.037 -0.088 0.000 0.632 144 A CB -0.006 18.960 19.000 -0.055 0.000 0.819 144 A HN 0.323 nan 8.150 nan 0.000 0.445 145 C N -0.119 119.034 119.300 -0.245 0.000 2.454 145 C HA 0.625 5.085 4.460 -0.000 0.000 0.336 145 C C 0.555 175.394 174.990 -0.252 0.000 1.189 145 C CA -0.439 58.413 59.018 -0.276 0.000 1.877 145 C CB 1.232 28.697 27.740 -0.459 0.000 2.348 145 C HN 0.563 nan 8.230 nan 0.000 0.508 146 T N -0.120 114.340 114.554 -0.156 0.000 2.869 146 T HA 0.577 4.927 4.350 -0.000 0.000 0.295 146 T C -0.582 174.060 174.700 -0.097 0.000 0.987 146 T CA -0.427 61.611 62.100 -0.102 0.000 1.109 146 T CB 0.598 69.435 68.868 -0.051 0.000 0.932 146 T HN 0.467 nan 8.240 nan 0.000 0.518 147 V N 3.208 123.087 119.914 -0.059 0.000 2.443 147 V HA 0.279 4.399 4.120 -0.000 0.000 0.293 147 V C -0.452 175.660 176.094 0.030 0.000 1.021 147 V CA -1.224 61.072 62.300 -0.007 0.000 0.848 147 V CB 1.227 33.055 31.823 0.009 0.000 0.998 147 V HN 0.977 nan 8.190 nan 0.000 0.424 148 D N 6.264 126.690 120.400 0.043 0.000 2.419 148 D HA 0.112 4.752 4.640 -0.000 0.000 0.236 148 D C -1.674 174.660 176.300 0.056 0.000 1.165 148 D CA -0.996 53.030 54.000 0.043 0.000 0.882 148 D CB 0.326 41.151 40.800 0.042 0.000 1.201 148 D HN 0.249 nan 8.370 nan 0.000 0.443 149 P HA -0.176 nan 4.420 nan 0.000 0.216 149 P C 1.323 178.661 177.300 0.062 0.000 1.150 149 P CA 0.712 63.844 63.100 0.054 0.000 0.843 149 P CB 0.131 31.855 31.700 0.040 0.000 0.787 150 V N -0.562 119.383 119.914 0.052 0.000 2.287 150 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 150 V C 2.308 178.452 176.094 0.083 0.000 1.053 150 V CA 2.619 64.949 62.300 0.051 0.000 1.027 150 V CB -1.904 29.939 31.823 0.034 0.000 0.646 150 V HN 0.185 nan 8.190 nan 0.000 0.447 151 T N -0.075 114.536 114.554 0.095 0.000 2.867 151 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 151 T C 1.835 176.632 174.700 0.161 0.000 1.057 151 T CA 1.654 63.831 62.100 0.128 0.000 1.136 151 T CB -0.412 68.539 68.868 0.138 0.000 0.874 151 T HN 0.475 nan 8.240 nan 0.000 0.466 152 N N 0.864 119.653 118.700 0.148 0.000 2.331 152 N HA -0.043 4.697 4.740 -0.000 0.000 0.180 152 N C 1.841 177.457 175.510 0.176 0.000 1.019 152 N CA 0.809 53.960 53.050 0.169 0.000 0.881 152 N CB -0.075 38.497 38.487 0.141 0.000 0.972 152 N HN 0.421 nan 8.380 nan 0.000 0.435 153 Q N -0.303 119.587 119.800 0.149 0.000 2.187 153 Q HA 0.067 4.407 4.340 -0.000 0.000 0.199 153 Q C 1.436 177.553 176.000 0.195 0.000 0.957 153 Q CA 1.017 56.910 55.803 0.150 0.000 0.857 153 Q CB -0.010 28.788 28.738 0.099 0.000 0.929 153 Q HN 0.512 nan 8.270 nan 0.000 0.453 154 N N -0.417 118.405 118.700 0.204 0.000 2.244 154 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 154 N C 1.444 177.184 175.510 0.383 0.000 1.016 154 N CA 0.429 53.658 53.050 0.298 0.000 0.866 154 N CB 0.141 38.826 38.487 0.329 0.000 0.980 154 N HN 0.130 nan 8.380 nan 0.000 0.430 155 L N 1.376 122.768 121.223 0.281 0.000 2.017 155 L HA -0.170 4.169 4.340 -0.000 0.000 0.208 155 L C 2.532 179.574 176.870 0.287 0.000 1.073 155 L CA 1.587 56.586 54.840 0.266 0.000 0.745 155 L CB -1.004 41.188 42.059 0.220 0.000 0.894 155 L HN 0.134 nan 8.230 nan 0.000 0.432 156 Q N -1.275 118.699 119.800 0.290 0.000 2.002 156 Q HA -0.305 4.035 4.340 -0.000 0.000 0.204 156 Q C 2.313 178.477 176.000 0.272 0.000 0.988 156 Q CA 2.090 58.087 55.803 0.323 0.000 0.843 156 Q CB -0.698 28.213 28.738 0.288 0.000 0.908 156 Q HN 0.486 nan 8.270 nan 0.000 0.420 157 Y N -0.015 120.350 120.300 0.108 0.000 2.114 157 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 157 Y C 1.964 177.884 175.900 0.033 0.000 1.165 157 Y CA 2.217 60.309 58.100 -0.012 0.000 1.148 157 Y CB -0.730 37.625 38.460 -0.175 0.000 0.972 157 Y HN 0.351 nan 8.280 nan 0.000 0.504 158 F N -0.744 119.266 119.950 0.101 0.000 2.171 158 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 158 F C 1.771 177.489 175.800 -0.136 0.000 1.090 158 F CA 1.264 59.286 58.000 0.036 0.000 1.293 158 F CB -0.385 38.681 39.000 0.110 0.000 1.013 158 F HN 0.111 nan 8.300 nan 0.000 0.486 159 L N 0.657 121.689 121.223 -0.318 0.000 2.095 159 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 159 L C 2.018 178.598 176.870 -0.484 0.000 1.080 159 L CA 1.576 56.006 54.840 -0.683 0.000 0.759 159 L CB -1.331 40.216 42.059 -0.853 0.000 0.914 159 L HN 0.066 nan 8.230 nan 0.000 0.439 160 D N -0.498 119.825 120.400 -0.129 0.000 2.133 160 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 160 D C 2.360 178.546 176.300 -0.190 0.000 0.997 160 D CA 1.213 55.205 54.000 -0.013 0.000 0.840 160 D CB 0.037 40.837 40.800 0.001 0.000 0.947 160 D HN 0.289 nan 8.370 nan 0.000 0.452 161 R N -0.895 119.394 120.500 -0.352 0.000 2.075 161 R HA 0.016 4.356 4.340 -0.000 0.000 0.226 161 R C 2.237 178.310 176.300 -0.378 0.000 1.114 161 R CA 0.364 56.248 56.100 -0.360 0.000 0.972 161 R CB -0.399 29.646 30.300 -0.424 0.000 0.869 161 R HN 0.145 nan 8.270 nan 0.000 0.437 162 F N 0.415 119.899 119.950 -0.777 0.000 2.102 162 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 162 F C 1.588 177.126 175.800 -0.436 0.000 1.105 162 F CA 1.463 59.012 58.000 -0.751 0.000 1.239 162 F CB -0.133 38.105 39.000 -1.271 0.000 0.991 162 F HN -0.066 nan 8.300 nan 0.000 0.474 163 Y N -0.793 119.333 120.300 -0.290 0.000 2.263 163 Y HA -0.154 4.396 4.550 -0.000 0.000 0.292 163 Y C 2.397 178.070 175.900 -0.379 0.000 1.130 163 Y CA 1.278 59.197 58.100 -0.302 0.000 1.179 163 Y CB -1.123 37.230 38.460 -0.178 0.000 0.998 163 Y HN 0.157 nan 8.280 nan 0.000 0.532 164 M N 0.730 120.217 119.600 -0.189 0.000 2.108 164 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 164 M C 1.827 177.964 176.300 -0.271 0.000 1.066 164 M CA 1.832 56.984 55.300 -0.245 0.000 1.107 164 M CB -0.823 31.680 32.600 -0.162 0.000 1.356 164 M HN 0.293 nan 8.290 nan 0.000 0.406 165 N N -0.621 117.910 118.700 -0.280 0.000 2.166 165 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 165 N C 1.977 177.313 175.510 -0.290 0.000 1.019 165 N CA 1.374 54.267 53.050 -0.261 0.000 0.856 165 N CB -0.188 38.128 38.487 -0.284 0.000 0.993 165 N HN 0.424 nan 8.380 nan 0.000 0.426 166 R N 0.326 120.612 120.500 -0.356 0.000 2.090 166 R HA 0.018 4.358 4.340 -0.000 0.000 0.228 166 R C 1.967 178.135 176.300 -0.221 0.000 1.110 166 R CA 0.871 56.815 56.100 -0.261 0.000 0.973 166 R CB -0.210 29.953 30.300 -0.228 0.000 0.869 166 R HN 0.332 nan 8.270 nan 0.000 0.440 167 I N 1.194 121.561 120.570 -0.338 0.000 2.226 167 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 167 I C 2.501 178.327 176.117 -0.485 0.000 1.100 167 I CA 1.673 62.690 61.300 -0.473 0.000 1.374 167 I CB -0.224 37.285 38.000 -0.819 0.000 1.057 167 I HN 0.318 nan 8.210 nan 0.000 0.413 168 S N -0.124 115.315 115.700 -0.434 0.000 2.387 168 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 168 S C 2.088 176.672 174.600 -0.026 0.000 1.026 168 S CA 1.387 59.487 58.200 -0.167 0.000 0.972 168 S CB -0.929 62.308 63.200 0.063 0.000 0.814 168 S HN 0.566 nan 8.310 nan 0.000 0.477 169 T N -0.169 114.338 114.554 -0.078 0.000 2.942 169 T HA 0.090 4.440 4.350 -0.000 0.000 0.265 169 T C 1.920 176.614 174.700 -0.009 0.000 1.062 169 T CA 0.831 62.902 62.100 -0.048 0.000 1.139 169 T CB -0.438 68.370 68.868 -0.099 0.000 0.883 169 T HN 0.455 nan 8.240 nan 0.000 0.468 170 R N 0.206 120.701 120.500 -0.009 0.000 2.081 170 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 170 R C 2.488 178.832 176.300 0.073 0.000 1.131 170 R CA 1.593 57.715 56.100 0.036 0.000 0.960 170 R CB -0.482 29.848 30.300 0.049 0.000 0.856 170 R HN 0.397 nan 8.270 nan 0.000 0.436 171 M N 0.573 120.225 119.600 0.087 0.000 2.065 171 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 171 M C 1.802 178.201 176.300 0.164 0.000 1.071 171 M CA 1.794 57.195 55.300 0.168 0.000 1.109 171 M CB -0.358 32.408 32.600 0.277 0.000 1.313 171 M HN 0.255 nan 8.290 nan 0.000 0.408 172 L N -0.942 120.377 121.223 0.161 0.000 2.012 172 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 172 L C 2.567 179.531 176.870 0.157 0.000 1.073 172 L CA 1.743 56.690 54.840 0.178 0.000 0.748 172 L CB -0.692 41.467 42.059 0.167 0.000 0.891 172 L HN 0.455 nan 8.230 nan 0.000 0.431 173 M N -0.679 118.974 119.600 0.089 0.000 2.117 173 M HA -0.214 4.266 4.480 -0.000 0.000 0.262 173 M C 1.896 178.256 176.300 0.099 0.000 1.065 173 M CA 1.862 57.196 55.300 0.057 0.000 1.114 173 M CB -0.588 31.994 32.600 -0.029 0.000 1.361 173 M HN 0.336 nan 8.290 nan 0.000 0.408 174 N N -0.499 118.253 118.700 0.087 0.000 2.188 174 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 174 N C 1.797 177.358 175.510 0.086 0.000 1.018 174 N CA 0.676 53.771 53.050 0.076 0.000 0.858 174 N CB 0.023 38.550 38.487 0.067 0.000 0.989 174 N HN 0.316 nan 8.380 nan 0.000 0.426 175 Q N 0.394 120.263 119.800 0.116 0.000 2.096 175 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 175 Q C 1.773 177.837 176.000 0.106 0.000 0.982 175 Q CA 1.536 57.400 55.803 0.101 0.000 0.850 175 Q CB -0.519 28.307 28.738 0.147 0.000 0.901 175 Q HN 0.591 nan 8.270 nan 0.000 0.422 176 H N 0.039 119.197 119.070 0.146 0.000 2.333 176 H HA 0.040 4.596 4.556 -0.000 0.000 0.302 176 H C 2.074 177.525 175.328 0.205 0.000 1.075 176 H CA 1.363 57.581 56.048 0.282 0.000 1.348 176 H CB -0.063 29.921 29.762 0.370 0.000 1.393 176 H HN 0.103 nan 8.280 nan 0.000 0.509 177 I N 0.262 120.972 120.570 0.232 0.000 2.091 177 I HA -0.331 3.839 4.170 -0.000 0.000 0.239 177 I C 2.179 178.310 176.117 0.022 0.000 1.061 177 I CA 1.507 62.879 61.300 0.119 0.000 1.317 177 I CB -0.366 37.674 38.000 0.066 0.000 1.031 177 I HN 0.296 nan 8.210 nan 0.000 0.401 178 L N 0.112 121.330 121.223 -0.009 0.000 2.191 178 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 178 L C 2.359 179.149 176.870 -0.134 0.000 1.103 178 L CA 1.313 56.122 54.840 -0.051 0.000 0.769 178 L CB -0.374 41.665 42.059 -0.033 0.000 0.908 178 L HN 0.313 nan 8.230 nan 0.000 0.438 179 I N -1.972 118.436 120.570 -0.270 0.000 2.852 179 I HA -0.122 4.048 4.170 -0.000 0.000 0.264 179 I C 1.371 177.123 176.117 -0.608 0.000 1.179 179 I CA 0.832 61.813 61.300 -0.531 0.000 1.480 179 I CB 0.198 37.678 38.000 -0.866 0.000 1.111 179 I HN 0.115 nan 8.210 nan 0.000 0.441 180 F N -0.001 119.866 119.950 -0.137 0.000 2.728 180 F HA 0.187 4.714 4.527 -0.000 0.000 0.314 180 F C 1.506 177.263 175.800 -0.071 0.000 1.094 180 F CA -0.577 57.335 58.000 -0.146 0.000 1.217 180 F CB -0.189 38.624 39.000 -0.312 0.000 1.056 180 F HN -0.114 nan 8.300 nan 0.000 0.577 186 G N 2.500 111.277 108.800 -0.039 0.000 2.542 186 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.235 186 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.235 186 G C -0.664 174.197 174.900 -0.066 0.000 1.286 186 G CA -0.109 44.966 45.100 -0.041 0.000 0.904 186 G HN 0.932 nan 8.290 nan 0.000 0.577 187 N N 1.741 120.385 118.700 -0.093 0.000 2.458 187 N HA 0.490 5.230 4.740 -0.000 0.000 0.270 187 N C -0.873 174.548 175.510 -0.147 0.000 1.102 187 N CA -1.706 51.234 53.050 -0.184 0.000 0.967 187 N CB 1.447 39.683 38.487 -0.418 0.000 1.078 187 N HN 0.105 nan 8.380 nan 0.000 0.471 188 P HA -0.008 nan 4.420 nan 0.000 0.220 188 P C 0.837 178.100 177.300 -0.062 0.000 1.148 188 P CA 0.920 63.973 63.100 -0.078 0.000 0.803 188 P CB 0.368 32.028 31.700 -0.067 0.000 0.782 189 S N -2.099 113.541 115.700 -0.100 0.000 2.428 189 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 189 S C 0.744 175.426 174.600 0.137 0.000 1.014 189 S CA 0.696 58.886 58.200 -0.018 0.000 0.957 189 S CB -0.788 62.384 63.200 -0.047 0.000 0.784 189 S HN 0.413 nan 8.310 nan 0.000 0.499 190 H N -0.676 118.374 119.070 -0.032 0.000 2.483 190 H HA 0.363 4.919 4.556 0.000 0.000 0.338 190 H C -0.929 174.367 175.328 -0.053 0.000 1.152 190 H CA -1.097 54.929 56.048 -0.036 0.000 1.264 190 H CB 0.883 30.626 29.762 -0.031 0.000 1.510 190 H HN 0.049 nan 8.280 nan 0.000 0.530 191 I N 2.911 123.519 120.570 0.063 0.000 2.276 191 I HA 0.125 4.294 4.170 -0.000 0.000 0.290 191 I C 1.084 177.190 176.117 -0.019 0.000 1.109 191 I CA 0.798 62.092 61.300 -0.011 0.000 1.229 191 I CB 0.090 38.071 38.000 -0.032 0.000 1.452 191 I HN 1.037 nan 8.210 nan 0.000 0.497 192 G N 4.808 113.591 108.800 -0.028 0.000 2.543 192 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.286 192 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.286 192 G C 0.867 175.780 174.900 0.022 0.000 1.153 192 G CA 0.462 45.549 45.100 -0.021 0.000 0.968 192 G HN 0.731 nan 8.290 nan 0.000 0.544 193 S N -0.010 115.692 115.700 0.002 0.000 2.556 193 S HA 0.509 4.979 4.470 -0.000 0.000 0.216 193 S C 0.984 175.525 174.600 -0.099 0.000 0.970 193 S CA 0.497 58.689 58.200 -0.014 0.000 0.912 193 S CB 0.036 63.214 63.200 -0.036 0.000 0.790 193 S HN 0.695 nan 8.310 nan 0.000 0.504 194 I N 2.806 123.312 120.570 -0.107 0.000 2.342 194 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 194 I C -0.423 175.538 176.117 -0.259 0.000 1.010 194 I CA -0.486 60.706 61.300 -0.180 0.000 1.308 194 I CB 0.935 38.855 38.000 -0.133 0.000 1.400 194 I HN 0.091 nan 8.210 nan 0.000 0.488 195 D N 9.548 129.713 120.400 -0.391 0.000 2.373 195 D HA 0.226 4.865 4.640 -0.000 0.000 0.227 195 D C -1.653 174.556 176.300 -0.151 0.000 1.091 195 D CA -2.382 51.349 54.000 -0.448 0.000 0.840 195 D CB 1.789 42.199 40.800 -0.651 0.000 1.060 195 D HN 0.215 nan 8.370 nan 0.000 0.502 196 P HA -0.043 nan 4.420 nan 0.000 0.226 196 P C -0.501 176.791 177.300 -0.013 0.000 1.153 196 P CA 0.594 63.671 63.100 -0.039 0.000 0.777 196 P CB 0.303 31.985 31.700 -0.031 0.000 0.794 197 N N -0.884 117.816 118.700 0.000 0.000 2.757 197 N HA 0.141 4.881 4.740 -0.000 0.000 0.296 197 N C -0.878 174.736 175.510 0.172 0.000 1.874 197 N CA -0.348 52.714 53.050 0.020 0.000 0.885 197 N CB -0.142 38.265 38.487 -0.134 0.000 1.242 197 N HN -0.005 nan 8.380 nan 0.000 0.488 198 C N 1.238 120.629 119.300 0.151 0.000 2.651 198 C HA 0.078 4.538 4.460 -0.000 0.000 0.410 198 C C 0.607 175.712 174.990 0.190 0.000 1.372 198 C CA -0.330 58.775 59.018 0.145 0.000 1.707 198 C CB -0.776 27.028 27.740 0.107 0.000 2.501 198 C HN 0.515 nan 8.230 nan 0.000 0.598 199 D N 5.093 125.595 120.400 0.170 0.000 2.470 199 D HA 0.090 4.729 4.640 -0.000 0.000 0.226 199 D C 1.172 177.474 176.300 0.004 0.000 1.196 199 D CA 0.103 54.120 54.000 0.029 0.000 0.979 199 D CB 0.815 41.662 40.800 0.078 0.000 1.059 199 D HN 0.518 nan 8.370 nan 0.000 0.515 200 V N 3.662 123.556 119.914 -0.034 0.000 2.282 200 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 200 V C 2.565 178.658 176.094 -0.002 0.000 1.057 200 V CA 1.395 63.686 62.300 -0.016 0.000 1.032 200 V CB -0.398 31.397 31.823 -0.046 0.000 0.645 200 V HN 0.468 nan 8.190 nan 0.000 0.447 201 V N 0.252 120.147 119.914 -0.031 0.000 2.392 201 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 201 V C 2.645 178.751 176.094 0.019 0.000 1.059 201 V CA 2.102 64.394 62.300 -0.013 0.000 1.051 201 V CB -1.182 30.616 31.823 -0.042 0.000 0.658 201 V HN 0.587 nan 8.190 nan 0.000 0.455 202 A N -0.333 122.501 122.820 0.024 0.000 1.968 202 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 202 A C 2.323 179.964 177.584 0.095 0.000 1.169 202 A CA 1.680 53.749 52.037 0.053 0.000 0.638 202 A CB -0.465 18.570 19.000 0.059 0.000 0.812 202 A HN 0.374 nan 8.150 nan 0.000 0.446 203 V N -0.471 119.508 119.914 0.107 0.000 2.427 203 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 203 V C 2.511 178.702 176.094 0.161 0.000 1.051 203 V CA 1.735 64.129 62.300 0.156 0.000 1.048 203 V CB -0.862 31.051 31.823 0.150 0.000 0.666 203 V HN 0.348 nan 8.190 nan 0.000 0.456 204 V N -0.119 119.882 119.914 0.144 0.000 2.255 204 V HA -0.365 3.755 4.120 -0.000 0.000 0.247 204 V C 2.532 178.759 176.094 0.223 0.000 1.051 204 V CA 2.351 64.789 62.300 0.230 0.000 1.018 204 V CB -0.760 31.171 31.823 0.180 0.000 0.641 204 V HN 0.549 nan 8.190 nan 0.000 0.445 205 Q N -0.678 119.186 119.800 0.107 0.000 2.096 205 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 205 Q C 2.222 178.297 176.000 0.125 0.000 0.982 205 Q CA 1.903 57.741 55.803 0.058 0.000 0.850 205 Q CB -0.276 28.471 28.738 0.016 0.000 0.901 205 Q HN 0.643 nan 8.270 nan 0.000 0.422 206 D N -0.257 120.231 120.400 0.147 0.000 2.117 206 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 206 D C 1.707 178.131 176.300 0.206 0.000 0.982 206 D CA 1.212 55.321 54.000 0.181 0.000 0.828 206 D CB 0.181 41.111 40.800 0.217 0.000 0.967 206 D HN 0.239 nan 8.370 nan 0.000 0.464 207 A N 0.094 122.995 122.820 0.136 0.000 1.930 207 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 207 A C 2.100 179.823 177.584 0.231 0.000 1.175 207 A CA 0.676 52.715 52.037 0.004 0.000 0.627 207 A CB -1.042 17.917 19.000 -0.068 0.000 0.815 207 A HN 0.340 nan 8.150 nan 0.000 0.443 208 F N 0.757 120.649 119.950 -0.098 0.000 2.126 208 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 208 F C 2.362 178.047 175.800 -0.192 0.000 1.096 208 F CA 2.087 59.763 58.000 -0.540 0.000 1.255 208 F CB 0.061 38.613 39.000 -0.746 0.000 0.997 208 F HN 0.209 nan 8.300 nan 0.000 0.479 209 E N -0.195 120.073 120.200 0.113 0.000 2.051 209 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 209 E C 2.449 179.079 176.600 0.050 0.000 0.991 209 E CA 1.477 57.926 56.400 0.082 0.000 0.799 209 E CB -0.867 28.901 29.700 0.114 0.000 0.748 209 E HN 0.457 nan 8.360 nan 0.000 0.449 210 C N 0.229 119.603 119.300 0.123 0.000 2.413 210 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 210 C C 3.081 178.254 174.990 0.306 0.000 1.265 210 C CA 1.195 60.317 59.018 0.173 0.000 1.752 210 C CB -0.937 26.850 27.740 0.077 0.000 1.998 210 C HN 0.400 nan 8.230 nan 0.000 0.489 211 S N -0.203 115.636 115.700 0.232 0.000 2.362 211 S HA -0.116 4.354 4.470 -0.000 0.000 0.221 211 S C 2.239 176.744 174.600 -0.157 0.000 1.032 211 S CA 0.909 59.108 58.200 -0.002 0.000 0.973 211 S CB -0.400 62.665 63.200 -0.226 0.000 0.849 211 S HN 0.617 nan 8.310 nan 0.000 0.465 212 R N 0.356 120.675 120.500 -0.303 0.000 2.083 212 R HA -0.082 4.258 4.340 -0.000 0.000 0.237 212 R C 2.376 178.637 176.300 -0.065 0.000 1.137 212 R CA 1.734 57.689 56.100 -0.242 0.000 0.951 212 R CB -0.486 29.682 30.300 -0.221 0.000 0.851 212 R HN 0.455 nan 8.270 nan 0.000 0.434 213 M N 0.615 120.207 119.600 -0.014 0.000 2.110 213 M HA -0.270 4.210 4.480 -0.000 0.000 0.257 213 M C 2.385 178.706 176.300 0.036 0.000 1.071 213 M CA 1.967 57.282 55.300 0.025 0.000 1.096 213 M CB -0.422 32.205 32.600 0.045 0.000 1.300 213 M HN 0.219 nan 8.290 nan 0.000 0.411 214 L N -1.103 120.150 121.223 0.050 0.000 2.131 214 L HA -0.257 4.083 4.340 -0.000 0.000 0.210 214 L C 2.771 179.660 176.870 0.033 0.000 1.092 214 L CA 0.852 55.724 54.840 0.053 0.000 0.759 214 L CB -0.730 41.370 42.059 0.067 0.000 0.903 214 L HN 0.560 nan 8.230 nan 0.000 0.435 215 C N 0.434 119.745 119.300 0.018 0.000 2.453 215 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 215 C C 2.453 177.531 174.990 0.147 0.000 1.262 215 C CA 1.180 60.255 59.018 0.096 0.000 1.718 215 C CB -0.578 27.187 27.740 0.042 0.000 2.031 215 C HN 0.516 nan 8.230 nan 0.000 0.480 216 D N -0.398 120.051 120.400 0.082 0.000 2.144 216 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 216 D C 2.076 178.414 176.300 0.064 0.000 0.984 216 D CA 0.964 55.011 54.000 0.078 0.000 0.834 216 D CB -0.571 40.257 40.800 0.046 0.000 0.955 216 D HN 0.603 nan 8.370 nan 0.000 0.465 217 Q N -1.062 118.770 119.800 0.053 0.000 2.387 217 Q HA -0.095 4.245 4.340 -0.000 0.000 0.211 217 Q C 0.115 176.128 176.000 0.022 0.000 0.952 217 Q CA 0.331 56.153 55.803 0.031 0.000 0.957 217 Q CB 0.138 28.898 28.738 0.035 0.000 1.002 217 Q HN 0.398 nan 8.270 nan 0.000 0.502 218 Y N -2.178 118.025 120.300 -0.162 0.000 2.476 218 Y HA 0.082 4.632 4.550 0.000 0.000 0.281 218 Y C 0.156 175.778 175.900 -0.462 0.000 1.126 218 Y CA 0.019 57.906 58.100 -0.356 0.000 1.084 218 Y CB 0.675 38.818 38.460 -0.528 0.000 1.339 218 Y HN 0.074 nan 8.280 nan 0.000 0.556 219 Y N 0.010 120.430 120.300 0.201 0.000 2.527 219 Y HA 0.341 4.891 4.550 -0.000 0.000 0.247 219 Y C 0.766 176.697 175.900 0.051 0.000 1.138 219 Y CA 0.198 58.372 58.100 0.123 0.000 1.228 219 Y CB 0.862 39.386 38.460 0.106 0.000 1.252 219 Y HN -0.112 nan 8.280 nan 0.000 0.531 220 L N 0.291 121.603 121.223 0.147 0.000 4.696 220 L HA -0.298 4.042 4.340 -0.000 0.000 0.425 220 L C 0.012 176.935 176.870 0.089 0.000 1.115 220 L CA 0.957 55.849 54.840 0.086 0.000 0.996 220 L CB -1.908 40.187 42.059 0.061 0.000 2.077 220 L HN 0.277 nan 8.230 nan 0.000 0.792 221 S N -0.823 114.951 115.700 0.123 0.000 2.578 221 S HA 0.767 5.237 4.470 -0.000 0.000 0.272 221 S C -0.941 173.710 174.600 0.086 0.000 1.145 221 S CA 0.269 58.520 58.200 0.084 0.000 0.835 221 S CB 2.174 65.411 63.200 0.061 0.000 1.104 221 S HN 0.708 nan 8.310 nan 0.000 0.458 222 S N 2.247 117.974 115.700 0.044 0.000 2.543 222 S HA 0.708 5.178 4.470 -0.000 0.000 0.274 222 S C -3.359 171.256 174.600 0.025 0.000 1.149 222 S CA -1.064 57.147 58.200 0.018 0.000 0.866 222 S CB 1.341 64.538 63.200 -0.005 0.000 1.111 222 S HN 0.628 nan 8.310 nan 0.000 0.457 223 P HA 0.314 nan 4.420 nan 0.000 0.272 223 P C -0.463 176.950 177.300 0.187 0.000 1.230 223 P CA -0.132 63.013 63.100 0.074 0.000 0.788 223 P CB 0.413 32.151 31.700 0.064 0.000 0.949 224 E N 0.112 120.395 120.200 0.139 0.000 2.312 224 E HA 0.382 4.732 4.350 -0.000 0.000 0.259 224 E C -0.376 176.221 176.600 -0.006 0.000 1.122 224 E CA -0.959 55.507 56.400 0.111 0.000 0.922 224 E CB 0.662 30.366 29.700 0.006 0.000 1.109 224 E HN 0.346 nan 8.360 nan 0.000 0.442 225 L N 1.518 122.500 121.223 -0.401 0.000 2.282 225 L HA 0.293 4.632 4.340 -0.000 0.000 0.288 225 L C -0.831 175.845 176.870 -0.323 0.000 1.033 225 L CA -0.456 53.971 54.840 -0.687 0.000 0.807 225 L CB 0.509 41.736 42.059 -1.387 0.000 1.209 225 L HN 0.380 nan 8.230 nan 0.000 0.423 226 K N 7.216 127.496 120.400 -0.200 0.000 2.404 226 K HA 0.368 4.688 4.320 -0.000 0.000 0.257 226 K C -1.005 175.532 176.600 -0.106 0.000 1.026 226 K CA -0.472 55.740 56.287 -0.124 0.000 0.951 226 K CB 2.039 34.499 32.500 -0.067 0.000 1.203 226 K HN 0.527 nan 8.250 nan 0.000 0.446 227 L N 2.578 123.730 121.223 -0.118 0.000 2.317 227 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 227 L C -0.265 176.570 176.870 -0.059 0.000 1.024 227 L CA -0.092 54.699 54.840 -0.082 0.000 0.810 227 L CB 1.588 43.588 42.059 -0.098 0.000 1.240 227 L HN 0.659 nan 8.230 nan 0.000 0.427 228 T N 1.101 115.631 114.554 -0.040 0.000 2.901 228 T HA 0.638 4.988 4.350 -0.000 0.000 0.293 228 T C -1.142 173.539 174.700 -0.032 0.000 1.084 228 T CA -0.847 61.232 62.100 -0.036 0.000 1.008 228 T CB 1.896 70.747 68.868 -0.028 0.000 1.170 228 T HN 0.714 nan 8.240 nan 0.000 0.509 229 Q N 0.153 119.932 119.800 -0.034 0.000 2.379 229 Q HA 0.737 5.077 4.340 -0.000 0.000 0.278 229 Q C -1.906 174.073 176.000 -0.034 0.000 1.068 229 Q CA -1.196 54.586 55.803 -0.035 0.000 0.816 229 Q CB 2.474 31.184 28.738 -0.046 0.000 1.387 229 Q HN 0.515 nan 8.270 nan 0.000 0.413 230 V N 2.148 122.046 119.914 -0.028 0.000 2.577 230 V HA 0.350 4.470 4.120 -0.000 0.000 0.303 230 V C -0.932 175.150 176.094 -0.019 0.000 1.042 230 V CA -0.786 61.499 62.300 -0.024 0.000 0.872 230 V CB 1.837 33.653 31.823 -0.011 0.000 0.998 230 V HN 0.846 nan 8.190 nan 0.000 0.423 231 N N 3.262 121.946 118.700 -0.026 0.000 2.817 231 N HA 0.258 4.998 4.740 -0.000 0.000 0.234 231 N C 1.217 176.737 175.510 0.017 0.000 1.066 231 N CA 0.413 53.459 53.050 -0.006 0.000 0.926 231 N CB 1.646 40.122 38.487 -0.020 0.000 1.176 231 N HN 0.804 nan 8.380 nan 0.000 0.506 232 G N 2.515 111.331 108.800 0.027 0.000 2.442 232 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 232 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 232 G C 1.415 176.354 174.900 0.066 0.000 1.141 232 G CA 0.629 45.752 45.100 0.039 0.000 0.763 232 G HN 0.487 nan 8.290 nan 0.000 0.554 233 K N -0.148 120.301 120.400 0.081 0.000 1.975 233 K HA -0.112 4.208 4.320 -0.000 0.000 0.224 233 K C 0.142 176.864 176.600 0.202 0.000 1.038 233 K CA 0.523 56.879 56.287 0.115 0.000 1.009 233 K CB -0.539 32.029 32.500 0.113 0.000 0.750 233 K HN 0.169 nan 8.250 nan 0.000 0.445 234 F N 2.690 122.651 119.950 0.017 0.000 2.303 234 F HA 0.335 4.862 4.527 -0.000 0.000 0.368 234 F C -2.166 173.642 175.800 0.014 0.000 1.105 234 F CA -3.379 54.631 58.000 0.017 0.000 1.153 234 F CB 1.196 40.209 39.000 0.022 0.000 1.362 234 F HN 0.106 nan 8.300 nan 0.000 0.511 235 P HA -0.064 nan 4.420 nan 0.000 0.240 235 P C -0.106 177.005 177.300 -0.316 0.000 1.186 235 P CA 1.258 64.267 63.100 -0.151 0.000 0.755 235 P CB 0.223 31.892 31.700 -0.052 0.000 0.870 236 D N -3.565 116.439 120.400 -0.660 0.000 2.401 236 D HA -0.005 4.635 4.640 -0.000 0.000 0.269 236 D C 0.724 176.736 176.300 -0.479 0.000 1.117 236 D CA -0.024 53.641 54.000 -0.559 0.000 0.829 236 D CB -0.119 40.299 40.800 -0.637 0.000 1.350 236 D HN 0.210 nan 8.370 nan 0.000 0.529 237 Q N 2.871 122.330 119.800 -0.569 0.000 2.337 237 Q HA 0.117 4.457 4.340 -0.000 0.000 0.270 237 Q C -2.306 173.663 176.000 -0.053 0.000 1.002 237 Q CA -1.206 54.523 55.803 -0.124 0.000 0.888 237 Q CB 1.034 29.904 28.738 0.219 0.000 1.222 237 Q HN -0.090 nan 8.270 nan 0.000 0.400 238 P HA 0.023 nan 4.420 nan 0.000 0.270 238 P C -0.586 176.644 177.300 -0.118 0.000 1.223 238 P CA 0.413 63.473 63.100 -0.065 0.000 0.785 238 P CB 0.520 32.202 31.700 -0.031 0.000 0.923 239 I N 2.766 123.190 120.570 -0.244 0.000 2.297 239 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 239 I C 0.681 176.589 176.117 -0.349 0.000 1.033 239 I CA -0.281 60.906 61.300 -0.189 0.000 1.253 239 I CB 0.112 38.045 38.000 -0.110 0.000 1.396 239 I HN 0.268 nan 8.210 nan 0.000 0.476 240 H N 7.275 126.364 119.070 0.033 0.000 2.637 240 H HA 0.657 5.213 4.556 -0.000 0.000 0.363 240 H C -0.487 174.858 175.328 0.028 0.000 1.131 240 H CA -0.533 55.534 56.048 0.031 0.000 1.183 240 H CB 2.857 32.641 29.762 0.036 0.000 1.637 240 H HN 0.543 nan 8.280 nan 0.000 0.531 241 I N -1.674 118.984 120.570 0.147 0.000 3.264 241 I HA 0.505 4.675 4.170 -0.000 0.000 0.315 241 I C -0.780 175.396 176.117 0.098 0.000 1.154 241 I CA -1.326 60.035 61.300 0.102 0.000 0.962 241 I CB 1.980 40.021 38.000 0.068 0.000 1.265 241 I HN 0.112 nan 8.210 nan 0.000 0.463 242 V N 2.839 122.794 119.914 0.068 0.000 2.470 242 V HA 0.337 4.457 4.120 -0.000 0.000 0.276 242 V C -0.677 175.484 176.094 0.112 0.000 1.040 242 V CA 0.433 62.753 62.300 0.033 0.000 1.008 242 V CB -0.000 31.803 31.823 -0.033 0.000 0.990 242 V HN 0.646 nan 8.190 nan 0.000 0.477 243 Y N 2.704 122.941 120.300 -0.104 0.000 2.750 243 Y HA 0.489 5.038 4.550 -0.000 0.000 0.335 243 Y C -0.582 175.249 175.900 -0.116 0.000 1.252 243 Y CA -0.936 57.105 58.100 -0.098 0.000 1.064 243 Y CB 1.896 40.347 38.460 -0.016 0.000 1.321 243 Y HN 0.219 nan 8.280 nan 0.000 0.451 244 V N 5.678 125.297 119.914 -0.492 0.000 2.304 244 V HA 0.203 4.322 4.120 -0.000 0.000 0.262 244 V C -1.816 174.270 176.094 -0.013 0.000 1.061 244 V CA -1.137 60.964 62.300 -0.331 0.000 0.872 244 V CB 0.747 32.191 31.823 -0.632 0.000 1.077 244 V HN 0.638 nan 8.190 nan 0.000 0.480 245 P HA -0.157 nan 4.420 nan 0.000 0.218 245 P C 1.879 179.279 177.300 0.166 0.000 1.148 245 P CA 1.269 64.457 63.100 0.148 0.000 0.822 245 P CB 0.429 32.179 31.700 0.084 0.000 0.784 246 S N -0.754 114.991 115.700 0.076 0.000 2.359 246 S HA -0.231 4.239 4.470 -0.000 0.000 0.224 246 S C 1.968 176.667 174.600 0.165 0.000 1.035 246 S CA 1.306 59.561 58.200 0.091 0.000 1.018 246 S CB -1.134 62.091 63.200 0.042 0.000 0.876 246 S HN 0.314 nan 8.310 nan 0.000 0.448 247 H N -0.383 118.682 119.070 -0.008 0.000 2.353 247 H HA -0.058 4.497 4.556 -0.000 0.000 0.300 247 H C 2.168 177.535 175.328 0.064 0.000 1.090 247 H CA 1.338 57.284 56.048 -0.169 0.000 1.327 247 H CB -0.142 29.659 29.762 0.065 0.000 1.383 247 H HN 0.313 nan 8.280 nan 0.000 0.508 248 L N 0.490 121.955 121.223 0.403 0.000 2.093 248 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 248 L C 2.248 179.245 176.870 0.212 0.000 1.085 248 L CA 1.769 56.783 54.840 0.291 0.000 0.755 248 L CB -0.645 41.557 42.059 0.240 0.000 0.904 248 L HN 0.245 nan 8.230 nan 0.000 0.435 249 H N -2.015 117.145 119.070 0.149 0.000 2.357 249 H HA -0.215 4.341 4.556 -0.000 0.000 0.301 249 H C 2.294 177.719 175.328 0.162 0.000 1.082 249 H CA 2.031 58.161 56.048 0.137 0.000 1.342 249 H CB -0.030 29.786 29.762 0.090 0.000 1.389 249 H HN 0.635 nan 8.280 nan 0.000 0.511 250 H N -0.563 118.612 119.070 0.175 0.000 2.353 250 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 250 H C 2.175 177.575 175.328 0.119 0.000 1.090 250 H CA 2.081 58.205 56.048 0.127 0.000 1.327 250 H CB 0.031 29.712 29.762 -0.135 0.000 1.383 250 H HN 0.345 nan 8.280 nan 0.000 0.508 251 M N -0.255 119.505 119.600 0.266 0.000 2.086 251 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 251 M C 2.293 178.601 176.300 0.013 0.000 1.067 251 M CA 1.481 56.890 55.300 0.181 0.000 1.116 251 M CB -0.195 32.494 32.600 0.148 0.000 1.348 251 M HN 0.281 nan 8.290 nan 0.000 0.407 252 L N -1.027 120.172 121.223 -0.041 0.000 2.027 252 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 252 L C 2.509 179.266 176.870 -0.188 0.000 1.074 252 L CA 1.081 55.773 54.840 -0.247 0.000 0.745 252 L CB -0.735 41.242 42.059 -0.136 0.000 0.898 252 L HN 0.167 nan 8.230 nan 0.000 0.433 253 F N 1.257 121.116 119.950 -0.153 0.000 2.091 253 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 253 F C 2.586 178.345 175.800 -0.069 0.000 1.103 253 F CA 1.741 59.699 58.000 -0.069 0.000 1.228 253 F CB -0.204 38.714 39.000 -0.137 0.000 0.984 253 F HN 0.051 nan 8.300 nan 0.000 0.477 254 E N 0.498 120.597 120.200 -0.168 0.000 2.077 254 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 254 E C 2.492 178.947 176.600 -0.243 0.000 0.989 254 E CA 1.360 57.611 56.400 -0.250 0.000 0.800 254 E CB -0.692 28.958 29.700 -0.084 0.000 0.746 254 E HN 0.470 nan 8.360 nan 0.000 0.452 255 L N -0.539 120.541 121.223 -0.238 0.000 2.156 255 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 255 L C 2.410 179.139 176.870 -0.234 0.000 1.095 255 L CA 0.785 55.466 54.840 -0.265 0.000 0.770 255 L CB -0.379 41.477 42.059 -0.338 0.000 0.914 255 L HN 0.070 nan 8.230 nan 0.000 0.439 256 F N 0.337 120.184 119.950 -0.171 0.000 2.163 256 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 256 F C 2.563 178.190 175.800 -0.288 0.000 1.094 256 F CA 0.745 58.630 58.000 -0.191 0.000 1.290 256 F CB -0.058 38.834 39.000 -0.180 0.000 1.017 256 F HN -0.091 nan 8.300 nan 0.000 0.483 257 K N 0.353 120.615 120.400 -0.230 0.000 2.044 257 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 257 K C 1.733 178.221 176.600 -0.186 0.000 1.049 257 K CA 1.734 57.837 56.287 -0.306 0.000 0.927 257 K CB -0.263 31.950 32.500 -0.477 0.000 0.713 257 K HN 0.137 nan 8.250 nan 0.000 0.443 258 N N 0.586 119.184 118.700 -0.170 0.000 2.084 258 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 258 N C 1.693 177.142 175.510 -0.101 0.000 1.030 258 N CA 1.542 54.513 53.050 -0.133 0.000 0.849 258 N CB -0.441 37.961 38.487 -0.142 0.000 1.012 258 N HN 0.211 nan 8.380 nan 0.000 0.423 259 A N 0.741 123.518 122.820 -0.072 0.000 1.969 259 A HA -0.029 4.290 4.320 -0.000 0.000 0.218 259 A C 2.279 179.837 177.584 -0.043 0.000 1.169 259 A CA 1.067 53.080 52.037 -0.039 0.000 0.635 259 A CB -0.367 18.655 19.000 0.037 0.000 0.810 259 A HN 0.192 nan 8.150 nan 0.000 0.445 260 M N -1.522 118.043 119.600 -0.058 0.000 2.156 260 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 260 M C 2.416 178.644 176.300 -0.119 0.000 1.067 260 M CA 1.515 56.762 55.300 -0.088 0.000 1.131 260 M CB -0.248 32.275 32.600 -0.129 0.000 1.368 260 M HN 0.492 nan 8.290 nan 0.000 0.416 261 R N 0.728 121.162 120.500 -0.111 0.000 2.073 261 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 261 R C 2.083 178.291 176.300 -0.154 0.000 1.134 261 R CA 1.752 57.772 56.100 -0.133 0.000 0.952 261 R CB -0.276 29.978 30.300 -0.077 0.000 0.850 261 R HN 0.336 nan 8.270 nan 0.000 0.433 262 A N 0.159 122.913 122.820 -0.109 0.000 1.902 262 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 262 A C 2.199 179.738 177.584 -0.075 0.000 1.181 262 A CA 2.019 54.002 52.037 -0.090 0.000 0.623 262 A CB -0.899 18.044 19.000 -0.095 0.000 0.818 262 A HN 0.474 nan 8.150 nan 0.000 0.443 263 T N -0.434 114.069 114.554 -0.084 0.000 2.746 263 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 263 T C 1.866 176.512 174.700 -0.090 0.000 1.039 263 T CA 1.579 63.643 62.100 -0.060 0.000 1.142 263 T CB -0.368 68.466 68.868 -0.057 0.000 0.866 263 T HN 0.148 nan 8.240 nan 0.000 0.444 264 V N 1.385 121.186 119.914 -0.188 0.000 2.358 264 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 264 V C 2.448 178.382 176.094 -0.266 0.000 1.047 264 V CA 1.605 63.729 62.300 -0.293 0.000 1.035 264 V CB -0.479 30.978 31.823 -0.611 0.000 0.658 264 V HN 0.539 nan 8.190 nan 0.000 0.452 265 E N -0.770 119.289 120.200 -0.234 0.000 2.152 265 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 265 E C 2.130 178.707 176.600 -0.038 0.000 0.983 265 E CA 1.155 57.474 56.400 -0.134 0.000 0.818 265 E CB -0.121 29.524 29.700 -0.092 0.000 0.758 265 E HN 0.729 nan 8.360 nan 0.000 0.467 266 H N 0.896 119.899 119.070 -0.112 0.000 2.436 266 H HA 0.049 4.605 4.556 -0.000 0.000 0.294 266 H C 0.902 176.185 175.328 -0.075 0.000 1.048 266 H CA 1.157 57.156 56.048 -0.082 0.000 1.353 266 H CB 0.324 30.034 29.762 -0.086 0.000 1.414 266 H HN -0.031 nan 8.280 nan 0.000 0.536 267 Q N 0.132 119.838 119.800 -0.157 0.000 2.286 267 Q HA 0.054 4.394 4.340 -0.000 0.000 0.281 267 Q C 1.092 177.011 176.000 -0.136 0.000 0.897 267 Q CA -0.133 55.555 55.803 -0.193 0.000 1.023 267 Q CB 0.581 29.249 28.738 -0.116 0.000 1.151 267 Q HN 0.556 nan 8.270 nan 0.000 0.445 268 E N 1.714 121.837 120.200 -0.127 0.000 2.160 268 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 268 E C 0.954 177.513 176.600 -0.069 0.000 0.991 268 E CA 1.335 57.683 56.400 -0.086 0.000 0.810 268 E CB 0.252 29.913 29.700 -0.065 0.000 0.742 268 E HN 0.437 nan 8.360 nan 0.000 0.466 269 N N 0.672 119.321 118.700 -0.084 0.000 2.327 269 N HA -0.013 4.727 4.740 -0.000 0.000 0.231 269 N C -0.575 174.899 175.510 -0.061 0.000 1.130 269 N CA 0.061 53.073 53.050 -0.063 0.000 0.845 269 N CB 0.497 38.945 38.487 -0.064 0.000 1.073 269 N HN 0.005 nan 8.380 nan 0.000 0.496 270 Q N 0.777 120.539 119.800 -0.063 0.000 2.348 270 Q HA 0.422 4.762 4.340 -0.000 0.000 0.271 270 Q C -1.318 174.661 176.000 -0.035 0.000 1.067 270 Q CA -1.493 54.278 55.803 -0.053 0.000 0.839 270 Q CB 2.072 30.770 28.738 -0.066 0.000 1.354 270 Q HN 0.073 nan 8.270 nan 0.000 0.447 271 P HA -0.052 nan 4.420 nan 0.000 0.215 271 P C -0.026 177.265 177.300 -0.015 0.000 1.157 271 P CA 0.775 63.865 63.100 -0.017 0.000 0.856 271 P CB 0.446 32.138 31.700 -0.013 0.000 0.786 272 S N -0.750 114.939 115.700 -0.017 0.000 2.599 272 S HA 0.565 5.035 4.470 -0.000 0.000 0.294 272 S C -0.546 174.041 174.600 -0.021 0.000 1.094 272 S CA -0.935 57.257 58.200 -0.014 0.000 0.931 272 S CB 1.209 64.404 63.200 -0.008 0.000 1.093 272 S HN -0.174 nan 8.310 nan 0.000 0.488 273 L N 2.718 123.931 121.223 -0.017 0.000 2.334 273 L HA 0.471 4.811 4.340 -0.000 0.000 0.277 273 L C 1.101 177.962 176.870 -0.014 0.000 1.075 273 L CA -0.055 54.771 54.840 -0.022 0.000 0.804 273 L CB 0.843 42.891 42.059 -0.019 0.000 1.174 273 L HN 1.059 nan 8.230 nan 0.000 0.438 274 T N 1.282 115.824 114.554 -0.021 0.000 2.932 274 T HA 0.320 4.670 4.350 -0.000 0.000 0.312 274 T C -2.381 172.316 174.700 -0.005 0.000 1.071 274 T CA -1.220 60.869 62.100 -0.019 0.000 1.128 274 T CB 0.218 69.062 68.868 -0.040 0.000 0.984 274 T HN 0.333 nan 8.240 nan 0.000 0.549 275 P HA 0.269 nan 4.420 nan 0.000 0.269 275 P C -0.251 177.064 177.300 0.026 0.000 1.209 275 P CA -0.430 62.678 63.100 0.013 0.000 0.776 275 P CB 0.298 31.992 31.700 -0.009 0.000 0.876 276 I N 2.417 123.033 120.570 0.076 0.000 2.396 276 I HA 0.118 4.288 4.170 -0.000 0.000 0.289 276 I C 0.817 176.970 176.117 0.061 0.000 1.056 276 I CA 0.028 61.393 61.300 0.109 0.000 1.365 276 I CB 0.257 38.414 38.000 0.262 0.000 1.407 276 I HN 0.241 nan 8.210 nan 0.000 0.509 277 E N 5.763 125.990 120.200 0.044 0.000 2.175 277 E HA 0.531 4.881 4.350 -0.000 0.000 0.278 277 E C -1.154 175.470 176.600 0.040 0.000 0.969 277 E CA -0.635 55.776 56.400 0.017 0.000 0.796 277 E CB 2.497 32.202 29.700 0.008 0.000 1.104 277 E HN 0.275 nan 8.360 nan 0.000 0.395 278 V N 4.311 124.241 119.914 0.028 0.000 2.656 278 V HA 0.465 4.585 4.120 -0.000 0.000 0.307 278 V C -0.426 175.672 176.094 0.007 0.000 1.051 278 V CA -0.828 61.498 62.300 0.044 0.000 0.893 278 V CB 1.896 33.787 31.823 0.113 0.000 0.999 278 V HN 0.637 nan 8.190 nan 0.000 0.426 279 I N 4.227 124.796 120.570 -0.002 0.000 2.509 279 I HA 0.677 4.847 4.170 -0.000 0.000 0.293 279 I C -1.190 174.916 176.117 -0.018 0.000 1.020 279 I CA -0.651 60.643 61.300 -0.010 0.000 1.088 279 I CB 1.949 39.945 38.000 -0.006 0.000 1.267 279 I HN 0.403 nan 8.210 nan 0.000 0.430 280 V N 7.755 127.657 119.914 -0.021 0.000 2.384 280 V HA 0.467 4.587 4.120 -0.000 0.000 0.287 280 V C -0.349 175.731 176.094 -0.023 0.000 1.020 280 V CA -0.527 61.756 62.300 -0.027 0.000 0.850 280 V CB 1.485 33.289 31.823 -0.030 0.000 0.987 280 V HN 0.478 nan 8.190 nan 0.000 0.436 281 V N 6.045 125.949 119.914 -0.017 0.000 2.588 281 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 281 V C -0.672 175.426 176.094 0.006 0.000 1.042 281 V CA -0.680 61.618 62.300 -0.002 0.000 0.877 281 V CB 1.998 33.828 31.823 0.011 0.000 0.996 281 V HN 0.658 nan 8.190 nan 0.000 0.425 282 L N 4.603 125.833 121.223 0.011 0.000 2.298 282 L HA 0.913 5.253 4.340 -0.000 0.000 0.284 282 L C 0.384 177.275 176.870 0.035 0.000 1.013 282 L CA 0.551 55.405 54.840 0.023 0.000 0.824 282 L CB 1.014 43.087 42.059 0.023 0.000 1.221 282 L HN 0.729 nan 8.230 nan 0.000 0.418 283 G N 3.304 112.130 108.800 0.042 0.000 2.828 283 G HA2 0.336 4.296 3.960 -0.000 0.000 0.244 283 G HA3 0.336 4.296 3.960 -0.000 0.000 0.244 283 G C 0.216 175.141 174.900 0.043 0.000 1.365 283 G CA -0.183 44.943 45.100 0.043 0.000 1.041 283 G HN 0.645 nan 8.290 nan 0.000 0.560 284 K N 0.026 120.449 120.400 0.038 0.000 1.991 284 K HA -0.072 4.248 4.320 -0.000 0.000 0.212 284 K C 1.825 178.445 176.600 0.033 0.000 1.049 284 K CA 2.110 58.417 56.287 0.033 0.000 0.932 284 K CB -0.114 32.402 32.500 0.026 0.000 0.717 284 K HN 0.659 nan 8.250 nan 0.000 0.441 285 E N 0.042 120.261 120.200 0.032 0.000 2.562 285 E HA 0.145 4.495 4.350 -0.000 0.000 0.214 285 E C -0.579 176.047 176.600 0.044 0.000 0.979 285 E CA -0.275 56.144 56.400 0.033 0.000 1.002 285 E CB 0.445 30.159 29.700 0.023 0.000 1.048 285 E HN 0.079 nan 8.360 nan 0.000 0.488 286 D N 1.331 121.763 120.400 0.053 0.000 2.481 286 D HA 0.348 4.988 4.640 -0.000 0.000 0.244 286 D C -1.352 174.990 176.300 0.069 0.000 1.057 286 D CA -0.673 53.373 54.000 0.077 0.000 0.848 286 D CB 2.666 43.532 40.800 0.110 0.000 1.388 286 D HN 0.035 nan 8.370 nan 0.000 0.475 287 L N 1.744 123.004 121.223 0.061 0.000 2.296 287 L HA 0.553 4.893 4.340 -0.000 0.000 0.286 287 L C -0.344 176.545 176.870 0.032 0.000 1.023 287 L CA -0.077 54.780 54.840 0.028 0.000 0.812 287 L CB 1.350 43.398 42.059 -0.019 0.000 1.223 287 L HN 0.455 nan 8.230 nan 0.000 0.421 288 T N 3.109 117.669 114.554 0.010 0.000 2.861 288 T HA 0.707 5.057 4.350 -0.000 0.000 0.287 288 T C -0.491 174.151 174.700 -0.096 0.000 1.003 288 T CA -0.550 61.514 62.100 -0.060 0.000 0.977 288 T CB 1.119 69.970 68.868 -0.028 0.000 0.996 288 T HN 0.435 nan 8.240 nan 0.000 0.448 289 I N 2.420 122.899 120.570 -0.152 0.000 2.418 289 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 289 I C -0.247 175.782 176.117 -0.146 0.000 1.008 289 I CA -0.889 60.340 61.300 -0.119 0.000 1.104 289 I CB 2.127 40.062 38.000 -0.109 0.000 1.264 289 I HN 0.620 nan 8.210 nan 0.000 0.438 290 K N 7.450 127.791 120.400 -0.098 0.000 2.307 290 K HA 0.649 4.969 4.320 -0.000 0.000 0.263 290 K C -1.275 175.284 176.600 -0.068 0.000 0.973 290 K CA -0.426 55.807 56.287 -0.090 0.000 0.846 290 K CB 1.226 33.701 32.500 -0.042 0.000 1.100 290 K HN 0.574 nan 8.250 nan 0.000 0.438 291 I N 3.292 123.804 120.570 -0.096 0.000 2.355 291 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 291 I C -0.611 175.469 176.117 -0.062 0.000 0.999 291 I CA -0.600 60.668 61.300 -0.054 0.000 1.163 291 I CB 1.970 39.892 38.000 -0.131 0.000 1.316 291 I HN 0.535 nan 8.210 nan 0.000 0.454 292 S N 4.673 120.362 115.700 -0.019 0.000 2.454 292 S HA 0.488 4.958 4.470 -0.000 0.000 0.306 292 S C -0.841 173.745 174.600 -0.025 0.000 1.100 292 S CA -0.792 57.382 58.200 -0.044 0.000 1.087 292 S CB 1.446 64.631 63.200 -0.025 0.000 1.019 292 S HN 0.724 nan 8.310 nan 0.000 0.480 293 D N 0.552 120.912 120.400 -0.066 0.000 2.490 293 D HA 0.379 5.018 4.640 -0.000 0.000 0.232 293 D C -0.485 175.712 176.300 -0.171 0.000 1.053 293 D CA -1.039 52.913 54.000 -0.081 0.000 0.914 293 D CB 0.862 41.622 40.800 -0.067 0.000 1.431 293 D HN 0.216 nan 8.370 nan 0.000 0.483 294 R N 1.004 121.381 120.500 -0.206 0.000 3.760 294 R HA 0.383 4.723 4.340 -0.000 0.000 0.310 294 R C 0.336 176.502 176.300 -0.223 0.000 1.414 294 R CA -0.367 55.517 56.100 -0.360 0.000 1.410 294 R CB 0.983 31.051 30.300 -0.387 0.000 1.459 294 R HN 0.671 nan 8.270 nan 0.000 0.663 295 G N -0.686 107.969 108.800 -0.242 0.000 3.523 295 G HA2 0.269 4.229 3.960 -0.000 0.000 0.270 295 G HA3 0.269 4.229 3.960 -0.000 0.000 0.270 295 G C 0.963 175.546 174.900 -0.528 0.000 1.134 295 G CA 0.320 45.288 45.100 -0.220 0.000 0.825 295 G HN 0.550 nan 8.290 nan 0.000 0.534 296 G N -0.956 107.370 108.800 -0.790 0.000 2.241 296 G HA2 0.177 4.137 3.960 -0.000 0.000 0.244 296 G HA3 0.177 4.137 3.960 -0.000 0.000 0.244 296 G C 1.210 175.915 174.900 -0.325 0.000 0.998 296 G CA 0.655 45.228 45.100 -0.878 0.000 0.621 296 G HN 2.134 nan 8.290 nan 0.000 0.519 297 G N -1.775 106.892 108.800 -0.222 0.000 2.752 297 G HA2 0.344 4.304 3.960 -0.000 0.000 0.234 297 G HA3 0.344 4.304 3.960 -0.000 0.000 0.234 297 G C 0.423 175.281 174.900 -0.070 0.000 1.367 297 G CA 1.446 46.482 45.100 -0.106 0.000 0.879 297 G HN 2.288 nan 8.290 nan 0.000 0.563 298 V N -3.449 116.447 119.914 -0.030 0.000 3.049 298 V HA 0.893 5.013 4.120 -0.000 0.000 0.309 298 V C -2.441 173.655 176.094 0.004 0.000 1.148 298 V CA -1.494 60.801 62.300 -0.008 0.000 0.990 298 V CB 2.250 34.073 31.823 0.001 0.000 1.039 298 V HN 1.028 nan 8.190 nan 0.000 0.430 299 P HA 0.128 nan 4.420 nan 0.000 0.269 299 P C 0.756 178.061 177.300 0.008 0.000 1.209 299 P CA -0.131 62.976 63.100 0.012 0.000 0.776 299 P CB 1.007 32.715 31.700 0.014 0.000 0.876 300 L N 3.469 124.700 121.223 0.013 0.000 2.129 300 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 300 L C 2.592 179.461 176.870 -0.002 0.000 1.087 300 L CA 1.823 56.669 54.840 0.011 0.000 0.757 300 L CB -0.980 41.085 42.059 0.010 0.000 0.896 300 L HN 0.391 nan 8.230 nan 0.000 0.434 301 R N -0.567 119.930 120.500 -0.005 0.000 2.127 301 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 301 R C 2.071 178.352 176.300 -0.031 0.000 1.134 301 R CA 1.937 58.029 56.100 -0.012 0.000 0.975 301 R CB -0.251 30.047 30.300 -0.003 0.000 0.865 301 R HN 0.518 nan 8.270 nan 0.000 0.447 302 I N 0.212 120.758 120.570 -0.040 0.000 3.645 302 I HA -0.119 4.051 4.170 -0.000 0.000 0.300 302 I C 1.747 177.784 176.117 -0.134 0.000 1.260 302 I CA -0.196 61.044 61.300 -0.100 0.000 1.365 302 I CB 0.049 38.010 38.000 -0.064 0.000 1.077 302 I HN 0.146 nan 8.210 nan 0.000 0.439 303 I N 1.530 122.070 120.570 -0.050 0.000 2.091 303 I HA -0.378 3.792 4.170 -0.000 0.000 0.240 303 I C 2.145 178.279 176.117 0.029 0.000 1.046 303 I CA 1.990 63.291 61.300 0.002 0.000 1.306 303 I CB -1.025 37.010 38.000 0.058 0.000 1.018 303 I HN 0.299 nan 8.210 nan 0.000 0.404 304 D N 0.310 120.722 120.400 0.020 0.000 2.149 304 D HA -0.187 4.452 4.640 -0.000 0.000 0.198 304 D C 2.257 178.557 176.300 0.001 0.000 0.990 304 D CA 1.027 55.060 54.000 0.054 0.000 0.839 304 D CB -0.288 40.516 40.800 0.006 0.000 0.948 304 D HN 0.422 nan 8.370 nan 0.000 0.460 305 R N 0.261 120.655 120.500 -0.177 0.000 2.193 305 R HA -0.021 4.319 4.340 -0.000 0.000 0.229 305 R C 2.465 178.501 176.300 -0.440 0.000 1.110 305 R CA 0.369 56.243 56.100 -0.376 0.000 0.988 305 R CB -0.231 29.625 30.300 -0.741 0.000 0.871 305 R HN 0.269 nan 8.270 nan 0.000 0.458 306 L N -0.555 120.467 121.223 -0.334 0.000 2.083 306 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 306 L C 1.481 178.187 176.870 -0.274 0.000 1.083 306 L CA 1.344 56.041 54.840 -0.238 0.000 0.752 306 L CB -0.341 41.544 42.059 -0.291 0.000 0.899 306 L HN 0.127 nan 8.230 nan 0.000 0.433 307 F N -0.338 119.538 119.950 -0.124 0.000 2.773 307 F HA 0.072 4.599 4.527 0.000 0.000 0.304 307 F C 1.536 177.194 175.800 -0.236 0.000 1.129 307 F CA -0.095 57.802 58.000 -0.172 0.000 1.378 307 F CB -0.015 38.906 39.000 -0.132 0.000 1.095 307 F HN -0.102 nan 8.300 nan 0.000 0.565 308 S N -0.938 114.752 115.700 -0.018 0.000 2.565 308 S HA 0.098 4.568 4.470 -0.000 0.000 0.274 308 S C 1.022 175.604 174.600 -0.032 0.000 1.309 308 S CA -0.462 57.751 58.200 0.023 0.000 1.043 308 S CB 0.549 63.820 63.200 0.117 0.000 0.939 308 S HN 0.286 nan 8.310 nan 0.000 0.504 309 Y N 2.394 122.745 120.300 0.085 0.000 2.352 309 Y HA -0.044 4.506 4.550 -0.000 0.000 0.292 309 Y C 2.523 178.490 175.900 0.112 0.000 1.136 309 Y CA 1.584 59.694 58.100 0.017 0.000 1.227 309 Y CB -0.147 38.345 38.460 0.054 0.000 0.991 309 Y HN 0.804 nan 8.280 nan 0.000 0.545 310 T N -3.644 111.160 114.554 0.416 0.000 3.214 310 T HA 0.108 4.458 4.350 -0.000 0.000 0.264 310 T C -0.527 174.428 174.700 0.426 0.000 1.012 310 T CA -0.240 62.196 62.100 0.560 0.000 0.901 310 T CB -0.905 68.268 68.868 0.508 0.000 1.070 310 T HN 0.154 nan 8.240 nan 0.000 0.561 311 Y N 1.939 122.342 120.300 0.171 0.000 2.369 311 Y HA 0.616 5.167 4.550 0.000 0.000 0.337 311 Y C -0.201 175.745 175.900 0.077 0.000 0.961 311 Y CA -0.682 57.485 58.100 0.111 0.000 1.186 311 Y CB 1.067 39.559 38.460 0.052 0.000 1.139 311 Y HN 0.245 nan 8.280 nan 0.000 0.494 312 S N 3.751 119.211 115.700 -0.399 0.000 2.607 312 S HA 0.809 5.279 4.470 -0.000 0.000 0.273 312 S C -0.738 173.607 174.600 -0.424 0.000 1.148 312 S CA -0.109 57.906 58.200 -0.307 0.000 0.833 312 S CB 1.333 64.525 63.200 -0.014 0.000 1.130 312 S HN 0.854 nan 8.310 nan 0.000 0.470 330 F N 2.846 122.779 119.950 -0.028 0.000 2.385 330 F HA 0.658 5.185 4.527 0.000 0.000 0.336 330 F C 0.963 176.800 175.800 0.061 0.000 1.100 330 F CA -1.309 56.678 58.000 -0.023 0.000 1.116 330 F CB 1.769 40.698 39.000 -0.119 0.000 1.166 330 F HN -0.008 nan 8.300 nan 0.000 0.511 331 G N 4.725 113.447 108.800 -0.130 0.000 2.991 331 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.262 331 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.262 331 G C -0.132 174.649 174.900 -0.198 0.000 0.765 331 G CA 0.137 45.128 45.100 -0.183 0.000 2.051 331 G HN 0.658 nan 8.290 nan 0.000 0.602 332 Y N 0.269 120.333 120.300 -0.393 0.000 2.444 332 Y HA 0.197 4.747 4.550 0.000 0.000 0.249 332 Y C 2.397 178.227 175.900 -0.116 0.000 1.134 332 Y CA -0.585 57.372 58.100 -0.239 0.000 1.261 332 Y CB 0.184 38.559 38.460 -0.141 0.000 1.143 332 Y HN 0.349 nan 8.280 nan 0.000 0.523 333 G N 0.805 109.622 108.800 0.027 0.000 2.679 333 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.217 333 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.217 333 G C 1.764 176.646 174.900 -0.030 0.000 1.267 333 G CA 1.305 46.411 45.100 0.010 0.000 0.799 333 G HN 0.320 nan 8.290 nan 0.000 0.606 334 L N 1.611 122.734 121.223 -0.167 0.000 1.989 334 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 334 L C 0.459 177.278 176.870 -0.085 0.000 1.071 334 L CA 1.741 56.425 54.840 -0.259 0.000 0.749 334 L CB -1.166 40.466 42.059 -0.713 0.000 0.890 334 L HN 0.279 nan 8.230 nan 0.000 0.431 335 P HA -0.168 nan 4.420 nan 0.000 0.217 335 P C 1.837 179.077 177.300 -0.100 0.000 1.150 335 P CA 1.504 64.489 63.100 -0.193 0.000 0.832 335 P CB -0.034 31.146 31.700 -0.866 0.000 0.787 336 I N 0.042 120.553 120.570 -0.100 0.000 2.286 336 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 336 I C 2.347 178.482 176.117 0.030 0.000 1.104 336 I CA 1.357 62.612 61.300 -0.074 0.000 1.397 336 I CB -1.567 36.416 38.000 -0.029 0.000 1.072 336 I HN -0.024 nan 8.210 nan 0.000 0.417 337 S N 0.547 116.361 115.700 0.190 0.000 2.383 337 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 337 S C 2.091 176.824 174.600 0.221 0.000 1.030 337 S CA 1.465 59.842 58.200 0.294 0.000 1.002 337 S CB -0.408 62.932 63.200 0.233 0.000 0.829 337 S HN 0.400 nan 8.310 nan 0.000 0.467 338 R N 0.898 121.503 120.500 0.175 0.000 2.115 338 R HA 0.032 4.372 4.340 -0.000 0.000 0.230 338 R C 2.042 178.396 176.300 0.090 0.000 1.111 338 R CA 0.882 57.078 56.100 0.160 0.000 0.976 338 R CB -0.277 30.132 30.300 0.181 0.000 0.870 338 R HN 0.362 nan 8.270 nan 0.000 0.445 339 L N -0.396 120.834 121.223 0.011 0.000 2.027 339 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 339 L C 2.149 178.963 176.870 -0.093 0.000 1.074 339 L CA 1.187 55.977 54.840 -0.083 0.000 0.745 339 L CB -0.641 41.296 42.059 -0.202 0.000 0.898 339 L HN 0.177 nan 8.230 nan 0.000 0.433 340 Y N 0.267 120.540 120.300 -0.046 0.000 2.151 340 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 340 Y C 2.666 178.681 175.900 0.191 0.000 1.166 340 Y CA 1.300 59.384 58.100 -0.026 0.000 1.163 340 Y CB -0.863 37.555 38.460 -0.071 0.000 0.974 340 Y HN 0.148 nan 8.280 nan 0.000 0.511 341 A N -0.131 122.888 122.820 0.331 0.000 1.902 341 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 341 A C 2.170 179.917 177.584 0.273 0.000 1.181 341 A CA 1.834 54.055 52.037 0.307 0.000 0.623 341 A CB -0.477 18.656 19.000 0.223 0.000 0.818 341 A HN 0.420 nan 8.150 nan 0.000 0.443 342 K N -1.921 118.591 120.400 0.187 0.000 2.296 342 K HA -0.035 4.285 4.320 -0.000 0.000 0.200 342 K C 1.744 178.419 176.600 0.126 0.000 1.048 342 K CA 0.946 57.312 56.287 0.132 0.000 0.966 342 K CB -0.250 32.290 32.500 0.066 0.000 0.754 342 K HN 0.681 nan 8.250 nan 0.000 0.466 343 Y N 0.052 120.335 120.300 -0.029 0.000 2.241 343 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 343 Y C 0.643 176.348 175.900 -0.325 0.000 1.166 343 Y CA 1.316 59.285 58.100 -0.218 0.000 1.203 343 Y CB 0.134 38.406 38.460 -0.312 0.000 0.977 343 Y HN -0.081 nan 8.280 nan 0.000 0.529 344 F N 1.430 121.392 119.950 0.020 0.000 2.963 344 F HA 0.193 4.720 4.527 -0.000 0.000 0.321 344 F C 0.097 175.923 175.800 0.044 0.000 1.234 344 F CA -0.586 57.379 58.000 -0.060 0.000 1.296 344 F CB 0.293 39.303 39.000 0.016 0.000 0.981 344 F HN 0.013 nan 8.300 nan 0.000 0.507 345 Q N -0.909 118.982 119.800 0.152 0.000 2.489 345 Q HA -0.161 4.179 4.340 -0.000 0.000 0.259 345 Q C 0.555 176.640 176.000 0.142 0.000 0.934 345 Q CA 0.813 56.686 55.803 0.116 0.000 1.131 345 Q CB -1.966 26.830 28.738 0.097 0.000 1.472 345 Q HN 0.671 nan 8.270 nan 0.000 0.560 346 G N -0.546 108.375 108.800 0.201 0.000 2.543 346 G HA2 0.531 4.491 3.960 -0.000 0.000 0.267 346 G HA3 0.531 4.491 3.960 -0.000 0.000 0.267 346 G C -0.474 174.532 174.900 0.177 0.000 1.406 346 G CA 0.339 45.562 45.100 0.206 0.000 1.048 346 G HN 0.127 nan 8.290 nan 0.000 0.548 347 D N -2.338 118.203 120.400 0.235 0.000 2.671 347 D HA 0.484 5.124 4.640 -0.000 0.000 0.273 347 D C -1.695 174.764 176.300 0.266 0.000 1.264 347 D CA -0.445 53.686 54.000 0.219 0.000 0.788 347 D CB 1.932 42.837 40.800 0.176 0.000 1.324 347 D HN 0.326 nan 8.370 nan 0.000 0.424 348 L N 1.864 123.201 121.223 0.191 0.000 2.470 348 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 348 L C -1.573 175.383 176.870 0.144 0.000 0.964 348 L CA -0.519 54.420 54.840 0.166 0.000 0.839 348 L CB 1.459 43.623 42.059 0.175 0.000 1.276 348 L HN 0.277 nan 8.230 nan 0.000 0.403 349 N N 4.406 123.213 118.700 0.178 0.000 2.229 349 N HA 0.581 5.321 4.740 -0.000 0.000 0.298 349 N C -1.645 174.022 175.510 0.262 0.000 1.114 349 N CA -0.548 52.617 53.050 0.192 0.000 0.776 349 N CB 2.842 41.465 38.487 0.227 0.000 1.501 349 N HN 0.294 nan 8.380 nan 0.000 0.474 350 L N 2.054 123.472 121.223 0.324 0.000 2.322 350 L HA 0.491 4.831 4.340 -0.000 0.000 0.281 350 L C -1.024 176.023 176.870 0.294 0.000 1.014 350 L CA -0.719 54.266 54.840 0.243 0.000 0.815 350 L CB 0.725 42.921 42.059 0.228 0.000 1.247 350 L HN 0.488 nan 8.230 nan 0.000 0.421 351 Y N 0.531 120.866 120.300 0.060 0.000 2.457 351 Y HA 0.826 5.377 4.550 0.001 0.000 0.343 351 Y C -0.470 175.451 175.900 0.034 0.000 0.994 351 Y CA -0.949 57.177 58.100 0.043 0.000 1.031 351 Y CB 1.920 40.402 38.460 0.036 0.000 1.246 351 Y HN 0.457 nan 8.280 nan 0.000 0.449 352 S N 2.875 118.644 115.700 0.116 0.000 2.536 352 S HA 0.721 5.191 4.470 -0.000 0.000 0.298 352 S C -1.539 173.107 174.600 0.077 0.000 1.083 352 S CA -0.692 57.528 58.200 0.032 0.000 0.995 352 S CB 0.930 64.137 63.200 0.013 0.000 1.058 352 S HN 0.631 nan 8.310 nan 0.000 0.488 353 L N 3.463 124.732 121.223 0.076 0.000 2.321 353 L HA 0.437 4.777 4.340 -0.000 0.000 0.272 353 L C 0.566 177.482 176.870 0.076 0.000 1.050 353 L CA -0.016 54.879 54.840 0.092 0.000 0.893 353 L CB 0.851 42.986 42.059 0.127 0.000 1.272 353 L HN 0.619 nan 8.230 nan 0.000 0.435 354 S N 2.144 117.870 115.700 0.043 0.000 2.575 354 S HA 0.332 4.802 4.470 -0.000 0.000 0.295 354 S C 1.340 175.963 174.600 0.039 0.000 1.267 354 S CA 1.012 59.226 58.200 0.022 0.000 1.074 354 S CB -0.064 63.148 63.200 0.020 0.000 0.829 354 S HN 1.083 nan 8.310 nan 0.000 0.497 355 G N 3.651 112.461 108.800 0.017 0.000 2.179 355 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 355 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 355 G C 0.148 175.117 174.900 0.116 0.000 0.990 355 G CA 0.529 45.664 45.100 0.058 0.000 0.646 355 G HN 0.881 nan 8.290 nan 0.000 0.517 356 Y N -0.307 119.937 120.300 -0.094 0.000 3.260 356 Y HA 0.481 5.031 4.550 0.000 0.000 0.202 356 Y C 1.196 177.024 175.900 -0.121 0.000 0.962 356 Y CA 1.517 59.577 58.100 -0.065 0.000 1.582 356 Y CB 0.687 39.134 38.460 -0.021 0.000 1.478 356 Y HN 0.944 nan 8.280 nan 0.000 0.384 357 G N -0.268 108.491 108.800 -0.069 0.000 2.341 357 G HA2 0.452 4.412 3.960 -0.000 0.000 0.299 357 G HA3 0.452 4.412 3.960 -0.000 0.000 0.299 357 G C -1.653 173.204 174.900 -0.072 0.000 1.274 357 G CA -0.261 44.730 45.100 -0.180 0.000 0.853 357 G HN 0.027 nan 8.290 nan 0.000 0.493 358 T N 0.928 115.412 114.554 -0.116 0.000 2.912 358 T HA 0.621 4.971 4.350 -0.000 0.000 0.299 358 T C -1.842 172.727 174.700 -0.218 0.000 1.052 358 T CA -0.576 61.438 62.100 -0.143 0.000 0.996 358 T CB 1.992 70.784 68.868 -0.127 0.000 1.070 358 T HN 0.391 nan 8.240 nan 0.000 0.465 359 D N 1.947 122.102 120.400 -0.408 0.000 2.344 359 D HA 0.598 5.238 4.640 -0.000 0.000 0.239 359 D C -0.647 175.397 176.300 -0.427 0.000 1.064 359 D CA -0.305 53.367 54.000 -0.545 0.000 0.829 359 D CB 1.736 41.873 40.800 -1.105 0.000 1.129 359 D HN 0.667 nan 8.370 nan 0.000 0.506 360 A N 2.587 125.265 122.820 -0.236 0.000 2.303 360 A HA 0.647 4.967 4.320 -0.000 0.000 0.320 360 A C -0.605 176.904 177.584 -0.126 0.000 1.192 360 A CA -0.597 51.361 52.037 -0.132 0.000 0.821 360 A CB 0.261 19.186 19.000 -0.124 0.000 1.188 360 A HN 0.434 nan 8.150 nan 0.000 0.492 361 I N 2.534 123.052 120.570 -0.086 0.000 2.433 361 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 361 I C -0.308 175.639 176.117 -0.283 0.000 1.001 361 I CA -0.248 60.916 61.300 -0.226 0.000 1.119 361 I CB 1.586 39.397 38.000 -0.316 0.000 1.289 361 I HN 0.485 nan 8.210 nan 0.000 0.438 362 I N 5.830 126.213 120.570 -0.311 0.000 2.377 362 I HA 0.374 4.544 4.170 -0.000 0.000 0.293 362 I C -1.039 174.891 176.117 -0.312 0.000 0.987 362 I CA -0.597 60.577 61.300 -0.209 0.000 1.185 362 I CB 0.993 38.927 38.000 -0.110 0.000 1.341 362 I HN 0.416 nan 8.210 nan 0.000 0.455 363 Y N 6.286 126.602 120.300 0.027 0.000 2.364 363 Y HA 0.663 5.213 4.550 0.000 0.000 0.340 363 Y C -0.356 175.558 175.900 0.023 0.000 0.975 363 Y CA -0.772 57.341 58.100 0.020 0.000 1.089 363 Y CB 1.404 39.882 38.460 0.030 0.000 1.192 363 Y HN 0.254 nan 8.280 nan 0.000 0.454 364 L N 3.550 124.856 121.223 0.139 0.000 2.370 364 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 364 L C -0.545 176.387 176.870 0.104 0.000 1.002 364 L CA -1.566 53.323 54.840 0.082 0.000 0.818 364 L CB 1.582 43.550 42.059 -0.150 0.000 1.325 364 L HN 0.411 nan 8.230 nan 0.000 0.418 365 K N 1.153 121.637 120.400 0.139 0.000 2.448 365 K HA 0.158 4.477 4.320 -0.000 0.000 0.278 365 K C 0.637 177.285 176.600 0.080 0.000 1.009 365 K CA 0.109 56.460 56.287 0.106 0.000 0.995 365 K CB 1.419 33.989 32.500 0.116 0.000 0.917 365 K HN 0.800 nan 8.250 nan 0.000 0.481 366 A N 4.342 127.198 122.820 0.059 0.000 1.975 366 A HA 0.077 4.397 4.320 -0.000 0.000 0.215 366 A C 0.809 178.418 177.584 0.042 0.000 1.170 366 A CA 0.577 52.642 52.037 0.048 0.000 0.656 366 A CB 0.008 19.035 19.000 0.044 0.000 0.821 366 A HN 0.575 nan 8.150 nan 0.000 0.449 367 L N 0.633 121.876 121.223 0.034 0.000 2.312 367 L HA 0.233 4.573 4.340 -0.000 0.000 0.281 367 L C 1.634 178.508 176.870 0.005 0.000 1.070 367 L CA -0.008 54.843 54.840 0.019 0.000 0.805 367 L CB 1.577 43.646 42.059 0.016 0.000 1.174 367 L HN 0.376 nan 8.230 nan 0.000 0.434 368 S N -0.571 115.120 115.700 -0.015 0.000 2.453 368 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 368 S C 1.741 176.309 174.600 -0.053 0.000 1.005 368 S CA 0.763 58.930 58.200 -0.055 0.000 0.949 368 S CB -0.225 62.936 63.200 -0.064 0.000 0.774 368 S HN 0.793 nan 8.310 nan 0.000 0.510 369 S N 1.790 117.476 115.700 -0.024 0.000 2.453 369 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 369 S C 1.473 176.072 174.600 -0.002 0.000 1.005 369 S CA 0.671 58.862 58.200 -0.014 0.000 0.949 369 S CB -0.446 62.750 63.200 -0.006 0.000 0.774 369 S HN 0.711 nan 8.310 nan 0.000 0.510 370 E N 1.286 121.490 120.200 0.007 0.000 2.472 370 E HA 0.172 4.522 4.350 -0.000 0.000 0.196 370 E C -0.220 176.409 176.600 0.048 0.000 1.033 370 E CA -0.077 56.339 56.400 0.026 0.000 0.886 370 E CB 0.287 30.004 29.700 0.029 0.000 0.944 370 E HN 0.344 nan 8.360 nan 0.000 0.492 371 S N 1.906 117.620 115.700 0.025 0.000 3.919 371 S HA 0.207 4.677 4.470 -0.000 0.000 0.245 371 S C 0.087 174.780 174.600 0.155 0.000 1.344 371 S CA 0.120 58.353 58.200 0.055 0.000 0.896 371 S CB -0.402 62.694 63.200 -0.174 0.000 1.557 371 S HN 0.142 nan 8.310 nan 0.000 0.468 372 I N 1.828 122.513 120.570 0.192 0.000 2.412 372 I HA 0.222 4.392 4.170 -0.000 0.000 0.296 372 I C 0.563 176.713 176.117 0.056 0.000 0.987 372 I CA -0.809 60.576 61.300 0.142 0.000 1.180 372 I CB 1.229 39.264 38.000 0.058 0.000 1.340 372 I HN 0.333 nan 8.210 nan 0.000 0.455 373 E N 4.969 125.108 120.200 -0.102 0.000 2.568 373 E HA -0.088 4.261 4.350 -0.000 0.000 0.262 373 E C -0.220 176.252 176.600 -0.214 0.000 0.961 373 E CA 0.417 56.537 56.400 -0.467 0.000 0.945 373 E CB 0.523 30.034 29.700 -0.314 0.000 0.924 373 E HN 0.326 nan 8.360 nan 0.000 0.467 374 K N 4.871 125.143 120.400 -0.213 0.000 2.268 374 K HA 0.236 4.555 4.320 -0.000 0.000 0.276 374 K C -1.092 175.499 176.600 -0.014 0.000 1.080 374 K CA -0.265 55.984 56.287 -0.062 0.000 0.910 374 K CB 0.203 32.686 32.500 -0.029 0.000 1.163 374 K HN 0.406 nan 8.250 nan 0.000 0.465 375 L N 6.252 127.472 121.223 -0.005 0.000 2.346 375 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 375 L C -1.924 174.946 176.870 0.001 0.000 1.006 375 L CA -2.286 52.559 54.840 0.009 0.000 0.817 375 L CB 1.723 43.798 42.059 0.026 0.000 1.272 375 L HN 0.627 nan 8.230 nan 0.000 0.421 376 P HA 0.150 nan 4.420 nan 0.000 0.276 376 P C -0.893 176.437 177.300 0.050 0.000 1.230 376 P CA -0.185 62.909 63.100 -0.010 0.000 0.776 376 P CB 2.133 33.792 31.700 -0.070 0.000 0.888 377 V N 4.963 124.931 119.914 0.090 0.000 2.555 377 V HA 0.422 4.542 4.120 -0.000 0.000 0.302 377 V C -1.057 175.173 176.094 0.227 0.000 1.038 377 V CA -1.214 61.169 62.300 0.138 0.000 0.887 377 V CB 1.320 33.204 31.823 0.101 0.000 0.991 377 V HN 0.474 nan 8.190 nan 0.000 0.434 378 F N 8.828 128.842 119.950 0.107 0.000 2.434 378 F HA 0.535 5.062 4.527 0.000 0.000 0.358 378 F C 0.214 176.095 175.800 0.134 0.000 1.136 378 F CA -0.023 58.069 58.000 0.153 0.000 1.157 378 F CB 0.184 39.276 39.000 0.153 0.000 1.167 378 F HN 0.864 nan 8.300 nan 0.000 0.539 379 N N 3.629 122.152 118.700 -0.294 0.000 2.934 379 N HA 0.175 4.915 4.740 -0.000 0.000 0.253 379 N C 0.215 175.596 175.510 -0.214 0.000 1.466 379 N CA -0.967 51.932 53.050 -0.251 0.000 0.858 379 N CB 0.880 39.328 38.487 -0.065 0.000 1.459 379 N HN 0.411 nan 8.380 nan 0.000 0.532 380 K N -0.121 120.199 120.400 -0.133 0.000 2.090 380 K HA -0.299 4.021 4.320 -0.000 0.000 0.218 380 K C 1.547 178.187 176.600 0.067 0.000 1.055 380 K CA 2.594 58.861 56.287 -0.033 0.000 0.941 380 K CB -0.550 31.936 32.500 -0.024 0.000 0.722 380 K HN 0.501 nan 8.250 nan 0.000 0.458 381 S N -0.803 114.928 115.700 0.051 0.000 2.382 381 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 381 S C 1.849 176.537 174.600 0.147 0.000 1.027 381 S CA 1.243 59.495 58.200 0.088 0.000 0.991 381 S CB -0.293 62.951 63.200 0.074 0.000 0.823 381 S HN 0.524 nan 8.310 nan 0.000 0.469 382 A N 0.293 123.215 122.820 0.169 0.000 1.898 382 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 382 A C 1.928 179.754 177.584 0.403 0.000 1.183 382 A CA 1.087 53.301 52.037 0.296 0.000 0.622 382 A CB -1.042 18.171 19.000 0.356 0.000 0.824 382 A HN 0.649 nan 8.150 nan 0.000 0.444 383 F N 1.249 121.301 119.950 0.171 0.000 2.095 383 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 383 F C 2.308 178.253 175.800 0.241 0.000 1.104 383 F CA 2.379 60.537 58.000 0.263 0.000 1.232 383 F CB 0.012 39.011 39.000 -0.001 0.000 0.987 383 F HN 0.173 nan 8.300 nan 0.000 0.475 384 K N -0.027 120.502 120.400 0.215 0.000 2.074 384 K HA -0.319 4.001 4.320 -0.000 0.000 0.209 384 K C 2.212 178.789 176.600 -0.038 0.000 1.048 384 K CA 2.101 58.427 56.287 0.065 0.000 0.926 384 K CB -1.201 31.354 32.500 0.091 0.000 0.713 384 K HN 0.474 nan 8.250 nan 0.000 0.444 385 H N -0.339 118.653 119.070 -0.130 0.000 2.423 385 H HA -0.054 4.502 4.556 -0.000 0.000 0.297 385 H C 0.162 175.231 175.328 -0.431 0.000 1.075 385 H CA 0.806 56.648 56.048 -0.343 0.000 1.342 385 H CB -0.132 29.298 29.762 -0.553 0.000 1.395 385 H HN 0.120 nan 8.280 nan 0.000 0.530 394 D N -0.567 119.886 120.400 0.088 0.000 2.123 394 D HA -0.043 4.597 4.640 -0.000 0.000 0.196 394 D C -0.022 176.265 176.300 -0.021 0.000 0.992 394 D CA 1.206 55.248 54.000 0.069 0.000 0.833 394 D CB 0.246 41.171 40.800 0.208 0.000 0.954 394 D HN 0.220 nan 8.370 nan 0.000 0.455 395 W N -0.693 120.600 121.300 -0.012 0.000 2.736 395 W HA 0.400 5.060 4.660 -0.001 0.000 0.355 395 W C -0.229 176.286 176.519 -0.008 0.000 1.102 395 W CA -0.944 56.395 57.345 -0.009 0.000 1.164 395 W CB 0.875 30.330 29.460 -0.009 0.000 1.422 395 W HN -0.308 nan 8.180 nan 0.000 0.572 396 C N 3.120 122.551 119.300 0.219 0.000 2.627 396 C HA 0.335 4.794 4.460 -0.000 0.000 0.404 396 C C 0.297 175.371 174.990 0.140 0.000 1.340 396 C CA -0.202 58.896 59.018 0.133 0.000 1.758 396 C CB -2.078 25.718 27.740 0.093 0.000 2.501 396 C HN 0.205 nan 8.230 nan 0.000 0.588 397 I N 6.187 126.814 120.570 0.094 0.000 2.412 397 I HA 0.408 4.578 4.170 -0.000 0.000 0.296 397 I C -0.747 175.398 176.117 0.046 0.000 0.987 397 I CA -1.149 60.191 61.300 0.067 0.000 1.180 397 I CB 0.540 38.572 38.000 0.054 0.000 1.340 397 I HN 0.621 nan 8.210 nan 0.000 0.455 398 P HA 0.000 nan 4.420 nan 0.000 0.216 398 P CA 0.000 63.117 63.100 0.028 0.000 0.800 398 P CB 0.000 31.714 31.700 0.023 0.000 0.726