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 3d2r_1_A DATA FIRST_RESID 21 DATA SEQUENCE PREVEHFSRY SPSPLSMKQL LDFGSENXCE RTSFAFLRQE LPVRLANILK DATA SEQUENCE EIDILPTQLV NTSSVQLVKS WYIQSLMDLV EFHEKSPDDQ KALSDFVDTL DATA SEQUENCE IKVRNRHHNV VPTMAQGIIE YKDACXXDPV TNQNLQYFLD RFYMNRISTR DATA SEQUENCE MLMNQHILIF SDXXXXXXSH IGSIDPNCDV VAVVQDAFEC SRMLCDQYYL DATA SEQUENCE SSPELKLTQV NGKFPDQPIH IVYVPSHLHH MLFELFKNAM RATVEHQENQ DATA SEQUENCE PSLTPIEVIV VLGKEDLTIK ISDRGGGVPL RIIDRLFSYT YSTAPTXXXX DATA SEQUENCE XXXXAPLAGF GYGLPISRLY AKYFQGDLNL YSLSGYGTDA IIYLKALSSE DATA SEQUENCE SIEKLPVFNK SAFKHYXXXX XXDDWCI 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 0.000 177.336 177.300 0.061 0.000 1.155 21 P CA 0.000 63.126 63.100 0.043 0.000 0.800 21 P CB 0.000 31.731 31.700 0.051 0.000 0.726 22 R N 0.547 121.081 120.500 0.056 0.000 2.075 22 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 22 R C 1.055 177.417 176.300 0.103 0.000 1.126 22 R CA 1.731 57.867 56.100 0.059 0.000 0.963 22 R CB 0.053 30.371 30.300 0.030 0.000 0.858 22 R HN 0.575 nan 8.270 nan 0.000 0.435 23 E N -0.052 120.229 120.200 0.135 0.000 2.160 23 E HA -0.136 4.214 4.350 -0.001 0.000 0.195 23 E C 1.898 178.710 176.600 0.352 0.000 0.991 23 E CA 1.163 57.723 56.400 0.265 0.000 0.810 23 E CB -0.105 29.745 29.700 0.251 0.000 0.742 23 E HN 0.111 nan 8.360 nan 0.000 0.466 24 V N 0.351 120.397 119.914 0.219 0.000 2.379 24 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 24 V C 2.234 178.431 176.094 0.172 0.000 1.044 24 V CA 1.788 64.204 62.300 0.195 0.000 1.036 24 V CB -0.349 31.545 31.823 0.118 0.000 0.664 24 V HN 0.199 nan 8.190 nan 0.000 0.453 25 E N 0.160 120.439 120.200 0.131 0.000 2.028 25 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 25 E C 2.126 178.781 176.600 0.093 0.000 0.988 25 E CA 1.888 58.346 56.400 0.097 0.000 0.799 25 E CB -0.422 29.320 29.700 0.070 0.000 0.755 25 E HN 0.733 nan 8.360 nan 0.000 0.447 26 H N -0.868 118.192 119.070 -0.016 0.000 2.265 26 H HA -0.175 4.382 4.556 0.000 0.000 0.293 26 H C 1.751 177.011 175.328 -0.114 0.000 1.089 26 H CA 2.578 58.543 56.048 -0.139 0.000 1.244 26 H CB -0.619 28.978 29.762 -0.274 0.000 1.355 26 H HN 0.264 nan 8.280 nan 0.000 0.485 27 F N 0.197 120.259 119.950 0.186 0.000 2.293 27 F HA -0.140 4.386 4.527 -0.002 0.000 0.300 27 F C 2.841 178.748 175.800 0.178 0.000 1.086 27 F CA 0.985 59.120 58.000 0.224 0.000 1.375 27 F CB -0.307 38.807 39.000 0.190 0.000 1.045 27 F HN 0.320 nan 8.300 nan 0.000 0.516 28 S N 0.319 116.162 115.700 0.238 0.000 2.507 28 S HA -0.141 4.328 4.470 -0.001 0.000 0.235 28 S C 1.840 176.514 174.600 0.124 0.000 0.988 28 S CA 0.511 58.823 58.200 0.187 0.000 0.944 28 S CB -0.484 62.806 63.200 0.151 0.000 0.762 28 S HN 0.399 nan 8.310 nan 0.000 0.526 29 R N -0.537 119.951 120.500 -0.019 0.000 2.189 29 R HA 0.140 4.479 4.340 -0.001 0.000 0.218 29 R C -0.169 176.009 176.300 -0.203 0.000 1.074 29 R CA 0.544 56.538 56.100 -0.178 0.000 0.991 29 R CB -0.147 29.922 30.300 -0.384 0.000 0.883 29 R HN 0.498 nan 8.270 nan 0.000 0.457 30 Y N 0.355 120.643 120.300 -0.020 0.000 2.307 30 Y HA 0.104 4.653 4.550 -0.002 0.000 0.324 30 Y C 0.864 176.793 175.900 0.049 0.000 1.238 30 Y CA -0.778 57.329 58.100 0.012 0.000 1.280 30 Y CB 1.044 39.527 38.460 0.038 0.000 1.248 30 Y HN -0.100 nan 8.280 nan 0.000 0.508 31 S N 2.142 117.963 115.700 0.202 0.000 2.541 31 S HA 0.566 5.036 4.470 -0.001 0.000 0.283 31 S C -2.787 171.898 174.600 0.142 0.000 1.196 31 S CA -1.690 56.599 58.200 0.147 0.000 1.062 31 S CB 1.189 64.451 63.200 0.103 0.000 1.009 31 S HN 0.331 nan 8.310 nan 0.000 0.502 32 P HA 0.110 nan 4.420 nan 0.000 0.267 32 P C -0.782 176.578 177.300 0.100 0.000 1.195 32 P CA 0.076 63.228 63.100 0.086 0.000 0.773 32 P CB 0.348 32.093 31.700 0.075 0.000 0.837 33 S N 3.363 119.134 115.700 0.118 0.000 2.520 33 S HA 0.393 4.862 4.470 -0.001 0.000 0.324 33 S C -2.355 172.350 174.600 0.175 0.000 1.069 33 S CA -1.107 57.188 58.200 0.158 0.000 1.121 33 S CB 0.417 63.766 63.200 0.248 0.000 0.971 33 S HN 0.317 nan 8.310 nan 0.000 0.463 34 P HA 0.327 nan 4.420 nan 0.000 0.275 34 P C -0.893 176.460 177.300 0.088 0.000 1.228 34 P CA -0.392 62.769 63.100 0.101 0.000 0.786 34 P CB 0.564 32.303 31.700 0.065 0.000 0.927 35 L N 1.144 122.424 121.223 0.095 0.000 2.342 35 L HA 0.491 4.831 4.340 -0.001 0.000 0.271 35 L C 0.838 177.771 176.870 0.104 0.000 1.008 35 L CA -0.776 54.104 54.840 0.066 0.000 0.818 35 L CB 1.950 44.053 42.059 0.073 0.000 1.296 35 L HN 0.417 nan 8.230 nan 0.000 0.427 36 S N 1.426 117.161 115.700 0.058 0.000 2.672 36 S HA 0.329 4.799 4.470 -0.001 0.000 0.276 36 S C 0.754 175.343 174.600 -0.017 0.000 1.207 36 S CA -0.635 57.589 58.200 0.040 0.000 1.002 36 S CB 1.471 64.678 63.200 0.011 0.000 0.998 36 S HN 0.774 nan 8.310 nan 0.000 0.542 37 M N 0.955 120.454 119.600 -0.169 0.000 2.229 37 M HA -0.002 4.477 4.480 -0.001 0.000 0.264 37 M C 2.172 178.398 176.300 -0.123 0.000 1.063 37 M CA 1.411 56.549 55.300 -0.270 0.000 1.114 37 M CB -0.301 31.979 32.600 -0.534 0.000 1.387 37 M HN 0.932 nan 8.290 nan 0.000 0.420 38 K N -0.132 120.222 120.400 -0.076 0.000 2.057 38 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 38 K C 1.812 178.421 176.600 0.014 0.000 1.049 38 K CA 1.690 57.959 56.287 -0.030 0.000 0.931 38 K CB -0.017 32.474 32.500 -0.015 0.000 0.714 38 K HN 0.449 nan 8.250 nan 0.000 0.440 39 Q N 0.235 120.056 119.800 0.035 0.000 2.119 39 Q HA -0.098 4.242 4.340 -0.001 0.000 0.201 39 Q C 2.170 178.255 176.000 0.142 0.000 0.972 39 Q CA 1.288 57.154 55.803 0.105 0.000 0.847 39 Q CB 0.005 28.764 28.738 0.035 0.000 0.903 39 Q HN 0.324 nan 8.270 nan 0.000 0.433 40 L N 0.141 121.403 121.223 0.065 0.000 2.093 40 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 40 L C 2.232 179.142 176.870 0.066 0.000 1.085 40 L CA 0.783 55.669 54.840 0.076 0.000 0.755 40 L CB -0.322 41.771 42.059 0.056 0.000 0.904 40 L HN 0.255 nan 8.230 nan 0.000 0.435 41 L N -0.468 120.765 121.223 0.017 0.000 1.961 41 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 41 L C 2.367 179.240 176.870 0.005 0.000 1.072 41 L CA 1.409 56.244 54.840 -0.008 0.000 0.749 41 L CB -0.683 41.354 42.059 -0.037 0.000 0.889 41 L HN 0.291 nan 8.230 nan 0.000 0.432 42 D N 0.012 120.419 120.400 0.011 0.000 2.133 42 D HA -0.229 4.410 4.640 -0.001 0.000 0.192 42 D C 1.675 177.904 176.300 -0.119 0.000 1.001 42 D CA 1.756 55.722 54.000 -0.057 0.000 0.844 42 D CB -0.284 40.495 40.800 -0.035 0.000 0.944 42 D HN 0.227 nan 8.370 nan 0.000 0.447 43 F N -0.538 119.406 119.950 -0.011 0.000 2.693 43 F HA 0.287 4.812 4.527 -0.003 0.000 0.303 43 F C 1.948 177.786 175.800 0.063 0.000 1.143 43 F CA -0.075 57.939 58.000 0.023 0.000 1.389 43 F CB 0.661 39.662 39.000 0.001 0.000 1.060 43 F HN -0.058 nan 8.300 nan 0.000 0.535 44 G N -1.509 107.362 108.800 0.119 0.000 3.274 44 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.250 44 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.250 44 G C 1.404 176.284 174.900 -0.034 0.000 1.024 44 G CA 0.549 45.667 45.100 0.030 0.000 0.840 44 G HN 0.322 nan 8.290 nan 0.000 0.522 45 S N 0.965 116.652 115.700 -0.021 0.000 2.362 45 S HA -0.005 4.465 4.470 -0.001 0.000 0.221 45 S C 1.817 176.401 174.600 -0.026 0.000 1.032 45 S CA 1.256 59.431 58.200 -0.041 0.000 0.973 45 S CB -0.209 62.956 63.200 -0.058 0.000 0.849 45 S HN 0.453 nan 8.310 nan 0.000 0.465 46 E N 1.413 121.609 120.200 -0.006 0.000 2.024 46 E HA 0.241 4.591 4.350 -0.001 0.000 0.190 46 E C 0.151 176.786 176.600 0.058 0.000 0.974 46 E CA 0.262 56.667 56.400 0.008 0.000 0.810 46 E CB -0.207 29.487 29.700 -0.010 0.000 0.775 46 E HN 0.493 nan 8.360 nan 0.000 0.453 50 E N 2.439 122.332 120.200 -0.511 0.000 2.058 50 E HA -0.280 4.070 4.350 -0.001 0.000 0.194 50 E C 2.258 178.652 176.600 -0.343 0.000 0.997 50 E CA 1.983 57.724 56.400 -1.098 0.000 0.801 50 E CB -0.043 29.077 29.700 -0.966 0.000 0.746 50 E HN 0.729 nan 8.360 nan 0.000 0.450 51 R N -0.094 120.317 120.500 -0.148 0.000 2.091 51 R HA -0.116 4.224 4.340 -0.001 0.000 0.238 51 R C 2.104 178.460 176.300 0.093 0.000 1.136 51 R CA 2.112 58.216 56.100 0.006 0.000 0.959 51 R CB -0.840 29.465 30.300 0.009 0.000 0.856 51 R HN 0.042 nan 8.270 nan 0.000 0.437 52 T N 0.382 114.984 114.554 0.080 0.000 2.737 52 T HA -0.158 4.191 4.350 -0.001 0.000 0.265 52 T C 1.999 176.772 174.700 0.122 0.000 1.038 52 T CA 1.564 63.731 62.100 0.111 0.000 1.144 52 T CB -0.368 68.622 68.868 0.204 0.000 0.866 52 T HN 0.425 nan 8.240 nan 0.000 0.434 53 S N 0.727 116.534 115.700 0.178 0.000 2.368 53 S HA -0.111 4.358 4.470 -0.001 0.000 0.225 53 S C 1.785 176.551 174.600 0.276 0.000 1.030 53 S CA 0.977 59.369 58.200 0.320 0.000 0.999 53 S CB -0.654 62.866 63.200 0.533 0.000 0.844 53 S HN 0.413 nan 8.310 nan 0.000 0.459 54 F N 2.811 122.766 119.950 0.007 0.000 2.043 54 F HA -0.134 4.392 4.527 -0.000 0.000 0.297 54 F C 2.393 177.930 175.800 -0.439 0.000 1.118 54 F CA 1.709 59.441 58.000 -0.447 0.000 1.202 54 F CB -1.285 37.441 39.000 -0.457 0.000 0.965 54 F HN 0.270 nan 8.300 nan 0.000 0.482 55 A N 0.005 122.568 122.820 -0.429 0.000 1.892 55 A HA -0.271 4.049 4.320 -0.001 0.000 0.218 55 A C 2.287 179.650 177.584 -0.368 0.000 1.188 55 A CA 1.922 53.667 52.037 -0.486 0.000 0.631 55 A CB -1.793 17.111 19.000 -0.161 0.000 0.822 55 A HN 0.638 nan 8.150 nan 0.000 0.447 56 F N 0.232 120.006 119.950 -0.294 0.000 2.084 56 F HA -0.090 4.436 4.527 -0.001 0.000 0.296 56 F C 1.916 177.590 175.800 -0.211 0.000 1.111 56 F CA 1.792 59.661 58.000 -0.219 0.000 1.224 56 F CB -0.140 38.766 39.000 -0.158 0.000 0.991 56 F HN 0.130 nan 8.300 nan 0.000 0.471 57 L N 0.811 121.876 121.223 -0.264 0.000 2.217 57 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 57 L C 2.617 179.338 176.870 -0.249 0.000 1.107 57 L CA 1.289 55.971 54.840 -0.263 0.000 0.783 57 L CB -0.694 41.418 42.059 0.089 0.000 0.919 57 L HN 0.231 nan 8.230 nan 0.000 0.442 58 R N 0.071 120.324 120.500 -0.411 0.000 2.148 58 R HA -0.216 4.123 4.340 -0.001 0.000 0.227 58 R C 2.058 178.236 176.300 -0.203 0.000 1.103 58 R CA 1.405 57.325 56.100 -0.300 0.000 0.983 58 R CB -0.252 29.652 30.300 -0.660 0.000 0.874 58 R HN 0.263 nan 8.270 nan 0.000 0.451 59 Q N 1.117 120.672 119.800 -0.408 0.000 2.084 59 Q HA -0.092 4.247 4.340 -0.001 0.000 0.194 59 Q C 1.906 177.651 176.000 -0.424 0.000 0.969 59 Q CA 1.588 57.163 55.803 -0.380 0.000 0.829 59 Q CB -0.028 28.467 28.738 -0.406 0.000 0.904 59 Q HN 0.341 nan 8.270 nan 0.000 0.464 60 E N 0.093 119.933 120.200 -0.600 0.000 2.077 60 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 60 E C 1.844 178.229 176.600 -0.358 0.000 0.989 60 E CA 1.406 57.451 56.400 -0.592 0.000 0.800 60 E CB -0.355 28.665 29.700 -1.132 0.000 0.746 60 E HN 0.486 nan 8.360 nan 0.000 0.452 61 L N 0.197 121.229 121.223 -0.319 0.000 1.994 61 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 61 L C -0.545 176.193 176.870 -0.221 0.000 1.071 61 L CA 1.428 56.137 54.840 -0.218 0.000 0.745 61 L CB -1.481 40.477 42.059 -0.167 0.000 0.892 61 L HN 0.184 nan 8.230 nan 0.000 0.431 62 P HA -0.149 nan 4.420 nan 0.000 0.215 62 P C 1.967 179.149 177.300 -0.196 0.000 1.153 62 P CA 1.195 64.072 63.100 -0.372 0.000 0.853 62 P CB 0.050 31.228 31.700 -0.869 0.000 0.788 63 V N -0.092 119.738 119.914 -0.141 0.000 2.287 63 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 63 V C 2.449 178.568 176.094 0.041 0.000 1.053 63 V CA 1.943 64.283 62.300 0.067 0.000 1.027 63 V CB -0.966 30.879 31.823 0.038 0.000 0.646 63 V HN 0.088 nan 8.190 nan 0.000 0.447 64 R N -0.547 119.928 120.500 -0.041 0.000 2.092 64 R HA -0.041 4.298 4.340 -0.001 0.000 0.231 64 R C 2.282 178.542 176.300 -0.066 0.000 1.119 64 R CA 1.217 57.292 56.100 -0.042 0.000 0.970 64 R CB -0.381 29.872 30.300 -0.079 0.000 0.864 64 R HN 0.425 nan 8.270 nan 0.000 0.440 65 L N 0.054 121.208 121.223 -0.115 0.000 2.056 65 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 65 L C 2.678 179.552 176.870 0.006 0.000 1.078 65 L CA 1.282 56.036 54.840 -0.143 0.000 0.749 65 L CB -0.568 41.377 42.059 -0.189 0.000 0.901 65 L HN 0.224 nan 8.230 nan 0.000 0.433 66 A N -0.091 122.760 122.820 0.052 0.000 1.930 66 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 66 A C 2.115 179.758 177.584 0.099 0.000 1.175 66 A CA 1.633 53.739 52.037 0.114 0.000 0.627 66 A CB -0.640 18.488 19.000 0.212 0.000 0.815 66 A HN 0.448 nan 8.150 nan 0.000 0.443 67 N N -0.470 118.298 118.700 0.113 0.000 2.069 67 N HA -0.177 4.562 4.740 -0.001 0.000 0.191 67 N C 1.633 177.200 175.510 0.095 0.000 1.031 67 N CA 1.860 54.993 53.050 0.138 0.000 0.852 67 N CB -0.246 38.338 38.487 0.160 0.000 1.018 67 N HN 0.447 nan 8.380 nan 0.000 0.423 68 I N 1.475 122.104 120.570 0.099 0.000 2.500 68 I HA -0.060 4.110 4.170 -0.001 0.000 0.252 68 I C 2.090 178.303 176.117 0.160 0.000 1.142 68 I CA 0.598 61.990 61.300 0.153 0.000 1.451 68 I CB -0.187 37.913 38.000 0.166 0.000 1.093 68 I HN 0.069 nan 8.210 nan 0.000 0.430 69 L N -0.061 121.243 121.223 0.136 0.000 2.042 69 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 69 L C 2.437 179.259 176.870 -0.079 0.000 1.076 69 L CA 1.372 56.260 54.840 0.080 0.000 0.749 69 L CB -0.590 41.530 42.059 0.103 0.000 0.893 69 L HN 0.110 nan 8.230 nan 0.000 0.432 70 K N 0.153 120.435 120.400 -0.196 0.000 2.148 70 K HA -0.199 4.120 4.320 -0.001 0.000 0.204 70 K C 1.970 178.120 176.600 -0.751 0.000 1.050 70 K CA 1.251 57.252 56.287 -0.476 0.000 0.942 70 K CB -0.006 32.129 32.500 -0.608 0.000 0.724 70 K HN 0.230 nan 8.250 nan 0.000 0.446 71 E N -0.096 119.760 120.200 -0.573 0.000 2.047 71 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 71 E C 1.808 178.282 176.600 -0.211 0.000 0.987 71 E CA 1.120 57.334 56.400 -0.309 0.000 0.799 71 E CB -0.066 29.731 29.700 0.162 0.000 0.752 71 E HN 0.248 nan 8.360 nan 0.000 0.449 72 I N 1.563 122.076 120.570 -0.097 0.000 2.236 72 I HA -0.311 3.859 4.170 -0.001 0.000 0.249 72 I C 1.552 177.461 176.117 -0.346 0.000 1.102 72 I CA 1.241 62.384 61.300 -0.262 0.000 1.365 72 I CB -0.217 37.707 38.000 -0.126 0.000 1.051 72 I HN 0.123 nan 8.210 nan 0.000 0.420 73 D N 0.219 120.456 120.400 -0.272 0.000 2.348 73 D HA -0.045 4.595 4.640 -0.001 0.000 0.216 73 D C 1.857 178.019 176.300 -0.231 0.000 0.970 73 D CA 0.739 54.601 54.000 -0.230 0.000 0.889 73 D CB 0.091 40.792 40.800 -0.166 0.000 0.912 73 D HN 0.261 nan 8.370 nan 0.000 0.524 74 I N 0.400 120.793 120.570 -0.296 0.000 3.419 74 I HA 0.027 4.196 4.170 -0.001 0.000 0.286 74 I C 1.055 176.913 176.117 -0.431 0.000 1.268 74 I CA 0.174 61.290 61.300 -0.307 0.000 1.414 74 I CB -0.945 36.823 38.000 -0.386 0.000 1.074 74 I HN -0.055 nan 8.210 nan 0.000 0.457 75 L N 2.005 122.920 121.223 -0.512 0.000 2.476 75 L HA 0.138 4.478 4.340 -0.001 0.000 0.264 75 L C -1.759 174.870 176.870 -0.401 0.000 1.224 75 L CA -1.473 53.040 54.840 -0.545 0.000 0.821 75 L CB -0.590 41.035 42.059 -0.723 0.000 1.101 75 L HN -0.087 nan 8.230 nan 0.000 0.488 76 P HA -0.038 nan 4.420 nan 0.000 0.263 76 P C 0.510 177.620 177.300 -0.315 0.000 1.175 76 P CA 0.274 63.196 63.100 -0.298 0.000 0.761 76 P CB 0.453 31.954 31.700 -0.332 0.000 0.794 77 T N 1.141 115.583 114.554 -0.187 0.000 2.759 77 T HA -0.163 4.187 4.350 -0.001 0.000 0.269 77 T C 1.516 176.127 174.700 -0.149 0.000 1.042 77 T CA 1.300 63.307 62.100 -0.154 0.000 1.140 77 T CB -0.265 68.549 68.868 -0.089 0.000 0.864 77 T HN 0.453 nan 8.240 nan 0.000 0.455 78 Q N 0.224 119.961 119.800 -0.105 0.000 2.369 78 Q HA 0.143 4.482 4.340 -0.001 0.000 0.206 78 Q C 2.163 178.088 176.000 -0.126 0.000 0.963 78 Q CA 0.479 56.265 55.803 -0.028 0.000 0.894 78 Q CB -0.391 28.436 28.738 0.149 0.000 0.965 78 Q HN 0.409 nan 8.270 nan 0.000 0.475 79 L N -0.663 120.258 121.223 -0.503 0.000 2.102 79 L HA -0.011 4.329 4.340 -0.001 0.000 0.202 79 L C 2.005 178.643 176.870 -0.386 0.000 1.076 79 L CA 1.137 55.605 54.840 -0.621 0.000 0.761 79 L CB -0.668 40.738 42.059 -1.089 0.000 0.921 79 L HN -0.114 nan 8.230 nan 0.000 0.444 80 V N 0.994 120.681 119.914 -0.378 0.000 2.392 80 V HA -0.283 3.837 4.120 -0.001 0.000 0.249 80 V C 2.093 178.053 176.094 -0.223 0.000 1.059 80 V CA 1.943 64.060 62.300 -0.304 0.000 1.051 80 V CB -0.983 30.676 31.823 -0.274 0.000 0.658 80 V HN 0.533 nan 8.190 nan 0.000 0.455 81 N N 0.024 118.617 118.700 -0.179 0.000 2.515 81 N HA -0.033 4.707 4.740 -0.001 0.000 0.185 81 N C 1.019 176.460 175.510 -0.115 0.000 1.109 81 N CA 0.789 53.761 53.050 -0.129 0.000 0.903 81 N CB -0.425 38.007 38.487 -0.092 0.000 0.969 81 N HN 0.750 nan 8.380 nan 0.000 0.450 82 T N -1.726 112.753 114.554 -0.125 0.000 2.903 82 T HA 0.018 4.368 4.350 -0.001 0.000 0.314 82 T C 1.624 176.251 174.700 -0.121 0.000 1.078 82 T CA 0.062 62.105 62.100 -0.094 0.000 1.114 82 T CB 1.004 69.823 68.868 -0.082 0.000 0.987 82 T HN 0.173 nan 8.240 nan 0.000 0.548 83 S N 1.292 116.932 115.700 -0.099 0.000 2.402 83 S HA -0.123 4.347 4.470 -0.001 0.000 0.229 83 S C 2.128 176.625 174.600 -0.172 0.000 1.021 83 S CA 1.133 59.263 58.200 -0.117 0.000 0.974 83 S CB -0.991 62.161 63.200 -0.079 0.000 0.800 83 S HN 0.688 nan 8.310 nan 0.000 0.484 84 S N 1.214 116.817 115.700 -0.161 0.000 2.356 84 S HA -0.012 4.458 4.470 -0.001 0.000 0.223 84 S C 1.931 176.354 174.600 -0.296 0.000 1.032 84 S CA 1.344 59.421 58.200 -0.205 0.000 1.005 84 S CB -0.545 62.575 63.200 -0.133 0.000 0.867 84 S HN 0.458 nan 8.310 nan 0.000 0.449 85 V N 2.004 121.756 119.914 -0.269 0.000 2.379 85 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 85 V C 2.592 178.488 176.094 -0.331 0.000 1.044 85 V CA 1.274 63.381 62.300 -0.321 0.000 1.036 85 V CB -0.625 31.009 31.823 -0.314 0.000 0.664 85 V HN 0.383 nan 8.190 nan 0.000 0.453 86 Q N -0.566 119.066 119.800 -0.280 0.000 2.096 86 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 86 Q C 2.282 178.062 176.000 -0.366 0.000 0.982 86 Q CA 1.478 57.125 55.803 -0.261 0.000 0.850 86 Q CB -0.633 27.990 28.738 -0.192 0.000 0.901 86 Q HN 0.408 nan 8.270 nan 0.000 0.422 87 L N -0.081 120.850 121.223 -0.488 0.000 1.990 87 L HA -0.178 4.162 4.340 -0.001 0.000 0.213 87 L C 2.506 178.625 176.870 -1.252 0.000 1.072 87 L CA 1.377 55.680 54.840 -0.896 0.000 0.755 87 L CB -1.323 40.156 42.059 -0.967 0.000 0.889 87 L HN 0.017 nan 8.230 nan 0.000 0.432 88 V N -0.387 118.985 119.914 -0.904 0.000 2.332 88 V HA -0.342 3.777 4.120 -0.001 0.000 0.248 88 V C 2.610 178.441 176.094 -0.438 0.000 1.055 88 V CA 2.073 63.996 62.300 -0.629 0.000 1.038 88 V CB -0.609 30.938 31.823 -0.460 0.000 0.651 88 V HN 0.512 nan 8.190 nan 0.000 0.450 89 K N 0.588 120.779 120.400 -0.348 0.000 2.057 89 K HA -0.190 4.130 4.320 -0.001 0.000 0.206 89 K C 2.415 178.978 176.600 -0.062 0.000 1.050 89 K CA 1.792 57.980 56.287 -0.165 0.000 0.935 89 K CB -0.249 32.154 32.500 -0.161 0.000 0.715 89 K HN 0.615 nan 8.250 nan 0.000 0.439 90 S N -0.228 115.384 115.700 -0.145 0.000 2.382 90 S HA -0.146 4.324 4.470 -0.001 0.000 0.228 90 S C 1.784 176.487 174.600 0.172 0.000 1.027 90 S CA 0.739 58.923 58.200 -0.026 0.000 0.991 90 S CB -0.657 62.493 63.200 -0.084 0.000 0.823 90 S HN 0.411 nan 8.310 nan 0.000 0.469 91 W N 1.036 122.394 121.300 0.095 0.000 2.354 91 W HA 0.050 4.709 4.660 -0.002 0.000 0.315 91 W C 2.375 179.103 176.519 0.348 0.000 1.206 91 W CA 0.228 57.694 57.345 0.201 0.000 1.290 91 W CB -1.745 27.838 29.460 0.205 0.000 1.152 91 W HN 0.294 nan 8.180 nan 0.000 0.489 92 Y N 0.184 120.643 120.300 0.266 0.000 2.151 92 Y HA -0.216 4.333 4.550 -0.001 0.000 0.284 92 Y C 2.471 178.461 175.900 0.149 0.000 1.166 92 Y CA 0.906 59.101 58.100 0.158 0.000 1.163 92 Y CB -1.431 37.066 38.460 0.063 0.000 0.974 92 Y HN -0.056 nan 8.280 nan 0.000 0.511 93 I N -0.812 119.927 120.570 0.282 0.000 2.286 93 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 93 I C 2.462 178.671 176.117 0.153 0.000 1.104 93 I CA 1.326 62.730 61.300 0.172 0.000 1.397 93 I CB -0.334 37.736 38.000 0.118 0.000 1.072 93 I HN 0.103 nan 8.210 nan 0.000 0.417 94 Q N 1.008 120.921 119.800 0.188 0.000 2.096 94 Q HA -0.172 4.167 4.340 -0.001 0.000 0.204 94 Q C 2.240 178.320 176.000 0.133 0.000 0.982 94 Q CA 2.201 58.098 55.803 0.157 0.000 0.850 94 Q CB -0.250 28.602 28.738 0.189 0.000 0.901 94 Q HN 0.339 nan 8.270 nan 0.000 0.422 95 S N 0.069 115.877 115.700 0.180 0.000 2.368 95 S HA -0.093 4.377 4.470 -0.001 0.000 0.224 95 S C 1.751 176.375 174.600 0.041 0.000 1.029 95 S CA 1.056 59.317 58.200 0.102 0.000 0.988 95 S CB -0.414 62.888 63.200 0.170 0.000 0.838 95 S HN 0.534 nan 8.310 nan 0.000 0.462 96 L N 0.823 122.074 121.223 0.046 0.000 2.046 96 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 96 L C 2.170 179.020 176.870 -0.033 0.000 1.077 96 L CA 1.314 56.139 54.840 -0.026 0.000 0.747 96 L CB -0.271 41.785 42.059 -0.005 0.000 0.896 96 L HN 0.235 nan 8.230 nan 0.000 0.432 97 M N -0.324 119.287 119.600 0.018 0.000 2.067 97 M HA -0.198 4.281 4.480 -0.001 0.000 0.260 97 M C 1.964 178.272 176.300 0.014 0.000 1.069 97 M CA 1.555 56.863 55.300 0.013 0.000 1.117 97 M CB -1.507 31.115 32.600 0.036 0.000 1.334 97 M HN 0.239 nan 8.290 nan 0.000 0.407 98 D N 0.490 120.916 120.400 0.043 0.000 2.172 98 D HA -0.168 4.472 4.640 -0.001 0.000 0.196 98 D C 2.216 178.623 176.300 0.178 0.000 0.999 98 D CA 1.230 55.279 54.000 0.082 0.000 0.856 98 D CB -0.292 40.555 40.800 0.079 0.000 0.934 98 D HN 0.342 nan 8.370 nan 0.000 0.453 99 L N -0.232 121.065 121.223 0.123 0.000 2.209 99 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 99 L C 2.361 179.326 176.870 0.158 0.000 1.094 99 L CA 0.201 55.170 54.840 0.216 0.000 0.790 99 L CB 0.073 42.156 42.059 0.040 0.000 0.932 99 L HN -0.084 nan 8.230 nan 0.000 0.447 100 V N -0.056 119.797 119.914 -0.102 0.000 2.667 100 V HA -0.193 3.926 4.120 -0.001 0.000 0.252 100 V C 2.277 178.244 176.094 -0.211 0.000 1.065 100 V CA 1.343 63.387 62.300 -0.427 0.000 1.083 100 V CB -0.424 31.191 31.823 -0.347 0.000 0.692 100 V HN 0.466 nan 8.190 nan 0.000 0.468 101 E N -0.145 120.024 120.200 -0.051 0.000 2.171 101 E HA -0.249 4.101 4.350 -0.001 0.000 0.197 101 E C 1.952 178.517 176.600 -0.058 0.000 0.997 101 E CA 1.407 57.755 56.400 -0.087 0.000 0.810 101 E CB -0.303 29.291 29.700 -0.178 0.000 0.738 101 E HN 0.636 nan 8.360 nan 0.000 0.467 102 F N 0.592 120.637 119.950 0.158 0.000 2.699 102 F HA -0.046 4.481 4.527 -0.000 0.000 0.298 102 F C 1.968 177.916 175.800 0.247 0.000 1.154 102 F CA 0.770 58.926 58.000 0.260 0.000 1.457 102 F CB -0.248 38.972 39.000 0.367 0.000 1.106 102 F HN 0.149 nan 8.300 nan 0.000 0.585 103 H N -0.303 118.843 119.070 0.126 0.000 2.521 103 H HA -0.112 4.444 4.556 -0.001 0.000 0.286 103 H C 1.758 177.127 175.328 0.069 0.000 1.034 103 H CA 1.092 57.174 56.048 0.057 0.000 1.278 103 H CB 0.007 29.807 29.762 0.064 0.000 1.386 103 H HN 0.468 nan 8.280 nan 0.000 0.567 104 E N 1.129 121.442 120.200 0.188 0.000 2.489 104 E HA 0.046 4.396 4.350 -0.001 0.000 0.193 104 E C 0.100 176.767 176.600 0.111 0.000 1.057 104 E CA 0.054 56.522 56.400 0.112 0.000 0.866 104 E CB 0.309 30.043 29.700 0.057 0.000 0.916 104 E HN 0.071 nan 8.360 nan 0.000 0.500 105 K N 1.042 121.551 120.400 0.182 0.000 2.123 105 K HA 0.252 4.571 4.320 -0.001 0.000 0.259 105 K C -0.389 176.340 176.600 0.216 0.000 0.960 105 K CA -0.686 55.717 56.287 0.194 0.000 0.872 105 K CB 1.845 34.512 32.500 0.279 0.000 1.079 105 K HN 0.015 nan 8.250 nan 0.000 0.440 106 S N 1.903 117.684 115.700 0.135 0.000 2.564 106 S HA 0.149 4.618 4.470 -0.001 0.000 0.278 106 S C -1.728 172.956 174.600 0.140 0.000 1.333 106 S CA -1.179 57.093 58.200 0.120 0.000 1.048 106 S CB 0.494 63.729 63.200 0.058 0.000 0.900 106 S HN 0.248 nan 8.310 nan 0.000 0.505 107 P HA 0.056 nan 4.420 nan 0.000 0.234 107 P C 0.035 177.317 177.300 -0.030 0.000 1.167 107 P CA 0.657 63.853 63.100 0.159 0.000 0.763 107 P CB 0.085 31.940 31.700 0.259 0.000 0.835 108 D N -1.490 118.902 120.400 -0.012 0.000 2.349 108 D HA -0.015 4.625 4.640 -0.001 0.000 0.214 108 D C 0.249 176.520 176.300 -0.049 0.000 1.063 108 D CA 0.459 54.440 54.000 -0.031 0.000 0.847 108 D CB -0.164 40.633 40.800 -0.005 0.000 0.933 108 D HN 0.158 nan 8.370 nan 0.000 0.513 109 D N 1.214 121.576 120.400 -0.064 0.000 2.325 109 D HA 0.015 4.655 4.640 -0.001 0.000 0.251 109 D C 1.154 177.397 176.300 -0.095 0.000 1.196 109 D CA -0.036 53.931 54.000 -0.056 0.000 0.866 109 D CB 1.060 41.844 40.800 -0.027 0.000 1.101 109 D HN -0.181 nan 8.370 nan 0.000 0.476 110 Q N 3.515 123.277 119.800 -0.063 0.000 2.187 110 Q HA -0.107 4.232 4.340 -0.001 0.000 0.199 110 Q C 1.594 177.566 176.000 -0.046 0.000 0.957 110 Q CA 0.705 56.469 55.803 -0.065 0.000 0.857 110 Q CB -0.057 28.658 28.738 -0.038 0.000 0.929 110 Q HN 0.596 nan 8.270 nan 0.000 0.453 111 K N 1.080 121.467 120.400 -0.022 0.000 2.063 111 K HA -0.133 4.187 4.320 -0.001 0.000 0.208 111 K C 2.041 178.658 176.600 0.028 0.000 1.048 111 K CA 1.328 57.620 56.287 0.008 0.000 0.928 111 K CB -0.096 32.413 32.500 0.014 0.000 0.713 111 K HN 0.114 nan 8.250 nan 0.000 0.442 112 A N 1.312 124.132 122.820 -0.001 0.000 1.877 112 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 112 A C 2.157 179.680 177.584 -0.102 0.000 1.186 112 A CA 1.490 53.555 52.037 0.046 0.000 0.620 112 A CB -0.706 18.270 19.000 -0.041 0.000 0.822 112 A HN 0.346 nan 8.150 nan 0.000 0.443 113 L N -0.810 120.237 121.223 -0.293 0.000 2.046 113 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 113 L C 2.941 179.784 176.870 -0.045 0.000 1.077 113 L CA 1.628 56.271 54.840 -0.329 0.000 0.747 113 L CB -0.501 41.393 42.059 -0.275 0.000 0.896 113 L HN 0.515 nan 8.230 nan 0.000 0.432 114 S N -0.360 115.340 115.700 -0.000 0.000 2.355 114 S HA -0.181 4.288 4.470 -0.001 0.000 0.222 114 S C 1.590 176.250 174.600 0.100 0.000 1.031 114 S CA 1.387 59.619 58.200 0.055 0.000 0.993 114 S CB -0.172 63.050 63.200 0.037 0.000 0.859 114 S HN 0.393 nan 8.310 nan 0.000 0.453 115 D N 0.329 120.822 120.400 0.155 0.000 2.182 115 D HA -0.086 4.553 4.640 -0.001 0.000 0.201 115 D C 1.472 177.959 176.300 0.311 0.000 0.986 115 D CA 0.795 54.958 54.000 0.272 0.000 0.847 115 D CB -0.395 40.637 40.800 0.387 0.000 0.942 115 D HN 0.476 nan 8.370 nan 0.000 0.467 116 F N 1.210 121.105 119.950 -0.091 0.000 2.163 116 F HA -0.159 4.367 4.527 -0.002 0.000 0.297 116 F C 2.227 177.905 175.800 -0.203 0.000 1.094 116 F CA 0.733 58.421 58.000 -0.520 0.000 1.290 116 F CB -0.309 38.322 39.000 -0.616 0.000 1.017 116 F HN -0.233 nan 8.300 nan 0.000 0.483 117 V N 0.641 120.574 119.914 0.033 0.000 2.252 117 V HA -0.364 3.756 4.120 -0.001 0.000 0.249 117 V C 2.142 178.205 176.094 -0.051 0.000 1.056 117 V CA 2.358 64.678 62.300 0.034 0.000 1.022 117 V CB -0.739 31.173 31.823 0.149 0.000 0.641 117 V HN 0.285 nan 8.190 nan 0.000 0.445 118 D N -0.378 120.018 120.400 -0.007 0.000 2.149 118 D HA -0.147 4.492 4.640 -0.001 0.000 0.198 118 D C 2.274 178.546 176.300 -0.046 0.000 0.990 118 D CA 1.884 55.879 54.000 -0.008 0.000 0.839 118 D CB -0.427 40.397 40.800 0.040 0.000 0.948 118 D HN 0.417 nan 8.370 nan 0.000 0.460 119 T N 0.981 115.498 114.554 -0.062 0.000 2.777 119 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 119 T C 2.200 176.757 174.700 -0.237 0.000 1.040 119 T CA 0.478 62.526 62.100 -0.086 0.000 1.141 119 T CB -0.205 68.692 68.868 0.049 0.000 0.868 119 T HN 0.125 nan 8.240 nan 0.000 0.444 120 L N 0.293 121.274 121.223 -0.404 0.000 2.046 120 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 120 L C 2.441 179.180 176.870 -0.218 0.000 1.077 120 L CA 1.224 55.838 54.840 -0.377 0.000 0.747 120 L CB -0.612 41.185 42.059 -0.436 0.000 0.896 120 L HN 0.273 nan 8.230 nan 0.000 0.432 121 I N 0.075 120.553 120.570 -0.154 0.000 2.286 121 I HA -0.314 3.855 4.170 -0.001 0.000 0.248 121 I C 2.743 178.786 176.117 -0.123 0.000 1.115 121 I CA 1.372 62.608 61.300 -0.108 0.000 1.392 121 I CB -0.234 37.725 38.000 -0.069 0.000 1.065 121 I HN 0.269 nan 8.210 nan 0.000 0.418 122 K N 0.921 121.247 120.400 -0.124 0.000 2.057 122 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 122 K C 2.060 178.554 176.600 -0.177 0.000 1.050 122 K CA 1.294 57.508 56.287 -0.121 0.000 0.935 122 K CB 0.038 32.490 32.500 -0.080 0.000 0.715 122 K HN 0.083 nan 8.250 nan 0.000 0.439 123 V N 1.836 121.608 119.914 -0.236 0.000 2.295 123 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 123 V C 2.636 178.445 176.094 -0.474 0.000 1.049 123 V CA 2.195 64.255 62.300 -0.400 0.000 1.024 123 V CB -0.655 30.926 31.823 -0.404 0.000 0.648 123 V HN 0.457 nan 8.190 nan 0.000 0.447 124 R N 0.410 120.740 120.500 -0.283 0.000 2.091 124 R HA -0.217 4.123 4.340 -0.001 0.000 0.238 124 R C 2.156 178.393 176.300 -0.105 0.000 1.136 124 R CA 2.212 58.214 56.100 -0.164 0.000 0.959 124 R CB -0.355 29.889 30.300 -0.093 0.000 0.856 124 R HN 0.522 nan 8.270 nan 0.000 0.437 125 N N 0.698 119.318 118.700 -0.133 0.000 2.120 125 N HA -0.196 4.543 4.740 -0.001 0.000 0.188 125 N C 1.760 177.190 175.510 -0.134 0.000 1.024 125 N CA 1.335 54.311 53.050 -0.123 0.000 0.852 125 N CB -0.439 37.965 38.487 -0.138 0.000 1.003 125 N HN 0.313 nan 8.380 nan 0.000 0.424 126 R N 0.384 120.764 120.500 -0.199 0.000 2.105 126 R HA -0.079 4.260 4.340 -0.001 0.000 0.239 126 R C 1.193 177.347 176.300 -0.243 0.000 1.135 126 R CA 1.420 57.350 56.100 -0.283 0.000 0.967 126 R CB -0.181 29.995 30.300 -0.207 0.000 0.861 126 R HN 0.527 nan 8.270 nan 0.000 0.442 127 H N -2.285 116.704 119.070 -0.134 0.000 2.539 127 H HA -0.040 4.515 4.556 -0.001 0.000 0.267 127 H C 1.414 176.747 175.328 0.009 0.000 0.982 127 H CA 0.180 56.231 56.048 0.004 0.000 1.146 127 H CB 0.220 30.062 29.762 0.133 0.000 1.382 127 H HN 0.374 nan 8.280 nan 0.000 0.577 128 H N 1.631 120.689 119.070 -0.019 0.000 2.390 128 H HA -0.115 4.440 4.556 -0.001 0.000 0.298 128 H C 1.302 176.630 175.328 -0.001 0.000 1.106 128 H CA 1.448 57.484 56.048 -0.020 0.000 1.297 128 H CB 0.132 29.853 29.762 -0.068 0.000 1.375 128 H HN 0.201 nan 8.280 nan 0.000 0.509 129 N N 0.034 118.673 118.700 -0.102 0.000 2.276 129 N HA 0.001 4.740 4.740 -0.001 0.000 0.212 129 N C 1.396 176.997 175.510 0.152 0.000 1.127 129 N CA 0.321 53.336 53.050 -0.059 0.000 0.834 129 N CB 0.567 39.062 38.487 0.014 0.000 1.014 129 N HN 0.205 nan 8.380 nan 0.000 0.491 130 V N 0.256 120.296 119.914 0.211 0.000 2.287 130 V HA -0.212 3.907 4.120 -0.001 0.000 0.248 130 V C 2.302 178.575 176.094 0.298 0.000 1.053 130 V CA 1.448 63.958 62.300 0.351 0.000 1.027 130 V CB -0.220 31.806 31.823 0.338 0.000 0.646 130 V HN 0.091 nan 8.190 nan 0.000 0.447 131 V N 0.222 120.250 119.914 0.189 0.000 2.307 131 V HA -0.120 4.000 4.120 -0.001 0.000 0.245 131 V C 0.121 176.247 176.094 0.053 0.000 1.045 131 V CA 2.333 64.736 62.300 0.171 0.000 1.024 131 V CB -1.871 29.912 31.823 -0.067 0.000 0.651 131 V HN 0.519 nan 8.190 nan 0.000 0.449 132 P HA -0.108 nan 4.420 nan 0.000 0.216 132 P C 1.765 179.048 177.300 -0.029 0.000 1.150 132 P CA 1.620 64.647 63.100 -0.122 0.000 0.837 132 P CB -0.218 31.404 31.700 -0.130 0.000 0.786 133 T N -0.773 113.817 114.554 0.059 0.000 2.812 133 T HA -0.119 4.231 4.350 -0.001 0.000 0.264 133 T C 1.746 176.439 174.700 -0.012 0.000 1.042 133 T CA 1.393 63.523 62.100 0.049 0.000 1.140 133 T CB -0.635 68.322 68.868 0.149 0.000 0.870 133 T HN 0.016 nan 8.240 nan 0.000 0.445 134 M N 2.220 121.838 119.600 0.029 0.000 2.086 134 M HA 0.092 4.572 4.480 -0.001 0.000 0.261 134 M C 2.379 178.697 176.300 0.029 0.000 1.067 134 M CA 1.596 56.864 55.300 -0.053 0.000 1.116 134 M CB -1.033 31.508 32.600 -0.099 0.000 1.348 134 M HN 0.195 nan 8.290 nan 0.000 0.407 135 A N -0.671 122.227 122.820 0.129 0.000 1.917 135 A HA -0.277 4.043 4.320 -0.001 0.000 0.219 135 A C 2.130 179.743 177.584 0.048 0.000 1.182 135 A CA 2.248 54.358 52.037 0.121 0.000 0.633 135 A CB -1.049 17.895 19.000 -0.092 0.000 0.819 135 A HN 0.658 nan 8.150 nan 0.000 0.448 136 Q N -0.287 119.511 119.800 -0.003 0.000 2.050 136 Q HA -0.037 4.303 4.340 -0.001 0.000 0.202 136 Q C 2.005 178.005 176.000 0.000 0.000 0.980 136 Q CA 2.180 57.980 55.803 -0.004 0.000 0.840 136 Q CB -1.086 27.640 28.738 -0.020 0.000 0.898 136 Q HN 0.516 nan 8.270 nan 0.000 0.424 137 G N 1.062 109.843 108.800 -0.033 0.000 2.513 137 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 137 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 137 G C 1.341 176.252 174.900 0.017 0.000 1.160 137 G CA 1.143 46.212 45.100 -0.052 0.000 0.767 137 G HN 0.399 nan 8.290 nan 0.000 0.571 138 I N 0.875 121.474 120.570 0.049 0.000 2.208 138 I HA -0.136 4.034 4.170 -0.001 0.000 0.245 138 I C 2.824 179.032 176.117 0.152 0.000 1.097 138 I CA 1.029 62.412 61.300 0.137 0.000 1.363 138 I CB -0.930 37.166 38.000 0.159 0.000 1.051 138 I HN 0.194 nan 8.210 nan 0.000 0.413 139 I N 0.974 121.608 120.570 0.107 0.000 2.179 139 I HA -0.282 3.888 4.170 -0.001 0.000 0.242 139 I C 2.576 178.731 176.117 0.063 0.000 1.088 139 I CA 1.326 62.674 61.300 0.081 0.000 1.357 139 I CB -0.434 37.606 38.000 0.065 0.000 1.051 139 I HN 0.271 nan 8.210 nan 0.000 0.409 140 E N 0.200 120.436 120.200 0.059 0.000 2.110 140 E HA -0.289 4.061 4.350 -0.001 0.000 0.193 140 E C 2.164 178.815 176.600 0.085 0.000 0.988 140 E CA 1.527 57.956 56.400 0.049 0.000 0.804 140 E CB -0.667 29.048 29.700 0.026 0.000 0.745 140 E HN 0.533 nan 8.360 nan 0.000 0.458 141 Y N 2.356 122.637 120.300 -0.032 0.000 2.114 141 Y HA -0.174 4.375 4.550 -0.001 0.000 0.284 141 Y C 2.047 177.939 175.900 -0.013 0.000 1.143 141 Y CA 1.666 59.745 58.100 -0.035 0.000 1.135 141 Y CB -0.144 38.286 38.460 -0.051 0.000 0.980 141 Y HN -0.169 nan 8.280 nan 0.000 0.499 142 K N -0.329 119.983 120.400 -0.147 0.000 2.217 142 K HA -0.104 4.215 4.320 -0.001 0.000 0.202 142 K C 1.393 177.913 176.600 -0.133 0.000 1.051 142 K CA 1.407 57.559 56.287 -0.225 0.000 0.952 142 K CB -0.029 32.427 32.500 -0.074 0.000 0.736 142 K HN 0.336 nan 8.250 nan 0.000 0.453 143 D N 0.299 120.661 120.400 -0.063 0.000 2.194 143 D HA -0.053 4.587 4.640 -0.001 0.000 0.204 143 D C 1.669 177.937 176.300 -0.052 0.000 0.964 143 D CA 0.932 54.907 54.000 -0.040 0.000 0.846 143 D CB 0.002 40.797 40.800 -0.008 0.000 0.962 143 D HN 0.162 nan 8.370 nan 0.000 0.490 144 A N -0.482 122.306 122.820 -0.054 0.000 1.968 144 A HA 0.044 4.364 4.320 -0.001 0.000 0.217 144 A C 1.264 178.802 177.584 -0.078 0.000 1.169 144 A CA 0.633 52.647 52.037 -0.039 0.000 0.638 144 A CB -0.164 18.845 19.000 0.013 0.000 0.812 144 A HN 0.315 nan 8.150 nan 0.000 0.446 149 P HA -0.004 nan 4.420 nan 0.000 0.229 149 P C 1.474 178.806 177.300 0.054 0.000 1.160 149 P CA 0.248 63.378 63.100 0.049 0.000 0.777 149 P CB 0.628 32.351 31.700 0.038 0.000 0.814 150 V N 0.722 120.662 119.914 0.044 0.000 2.283 150 V HA -0.168 3.952 4.120 -0.001 0.000 0.243 150 V C 2.596 178.729 176.094 0.065 0.000 1.039 150 V CA 2.560 64.883 62.300 0.038 0.000 1.016 150 V CB -1.683 30.152 31.823 0.020 0.000 0.650 150 V HN 0.157 nan 8.190 nan 0.000 0.449 151 T N 0.178 114.779 114.554 0.079 0.000 2.699 151 T HA -0.257 4.092 4.350 -0.001 0.000 0.268 151 T C 1.780 176.570 174.700 0.150 0.000 1.036 151 T CA 2.061 64.233 62.100 0.120 0.000 1.147 151 T CB -0.484 68.464 68.868 0.134 0.000 0.862 151 T HN 0.418 nan 8.240 nan 0.000 0.446 152 N N 0.630 119.407 118.700 0.129 0.000 2.149 152 N HA -0.086 4.653 4.740 -0.001 0.000 0.188 152 N C 2.026 177.633 175.510 0.162 0.000 1.019 152 N CA 1.064 54.202 53.050 0.147 0.000 0.857 152 N CB -0.155 38.402 38.487 0.115 0.000 0.997 152 N HN 0.448 nan 8.380 nan 0.000 0.426 153 Q N -0.329 119.549 119.800 0.131 0.000 2.119 153 Q HA -0.038 4.301 4.340 -0.001 0.000 0.201 153 Q C 1.278 177.388 176.000 0.184 0.000 0.972 153 Q CA 0.969 56.853 55.803 0.134 0.000 0.847 153 Q CB 0.048 28.834 28.738 0.080 0.000 0.903 153 Q HN 0.414 nan 8.270 nan 0.000 0.433 154 N N 0.173 118.984 118.700 0.185 0.000 2.166 154 N HA -0.119 4.620 4.740 -0.001 0.000 0.186 154 N C 1.637 177.382 175.510 0.391 0.000 1.019 154 N CA 0.911 54.124 53.050 0.272 0.000 0.856 154 N CB -0.110 38.549 38.487 0.287 0.000 0.993 154 N HN 0.250 nan 8.380 nan 0.000 0.426 155 L N 0.413 121.821 121.223 0.308 0.000 2.093 155 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 155 L C 2.468 179.534 176.870 0.326 0.000 1.085 155 L CA 0.932 55.959 54.840 0.313 0.000 0.755 155 L CB -0.346 41.864 42.059 0.252 0.000 0.904 155 L HN 0.137 nan 8.230 nan 0.000 0.435 156 Q N -0.229 119.757 119.800 0.311 0.000 2.050 156 Q HA -0.274 4.065 4.340 -0.001 0.000 0.202 156 Q C 2.128 178.315 176.000 0.313 0.000 0.980 156 Q CA 1.938 57.948 55.803 0.345 0.000 0.840 156 Q CB -0.458 28.453 28.738 0.288 0.000 0.898 156 Q HN 0.483 nan 8.270 nan 0.000 0.424 157 Y N -0.249 120.139 120.300 0.146 0.000 2.181 157 Y HA -0.231 4.317 4.550 -0.003 0.000 0.288 157 Y C 1.835 177.783 175.900 0.079 0.000 1.146 157 Y CA 1.859 59.982 58.100 0.039 0.000 1.164 157 Y CB -0.565 37.849 38.460 -0.076 0.000 0.982 157 Y HN 0.296 nan 8.280 nan 0.000 0.515 158 F N 0.207 120.248 119.950 0.151 0.000 2.134 158 F HA -0.197 4.331 4.527 0.000 0.000 0.299 158 F C 1.793 177.540 175.800 -0.088 0.000 1.097 158 F CA 1.727 59.781 58.000 0.090 0.000 1.264 158 F CB -0.560 38.573 39.000 0.221 0.000 1.001 158 F HN 0.064 nan 8.300 nan 0.000 0.479 159 L N -0.053 120.981 121.223 -0.316 0.000 2.056 159 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 159 L C 2.206 178.794 176.870 -0.471 0.000 1.078 159 L CA 1.252 55.665 54.840 -0.711 0.000 0.749 159 L CB -0.875 40.709 42.059 -0.792 0.000 0.901 159 L HN 0.062 nan 8.230 nan 0.000 0.433 160 D N 0.288 120.641 120.400 -0.078 0.000 2.116 160 D HA -0.194 4.445 4.640 -0.001 0.000 0.193 160 D C 2.351 178.554 176.300 -0.161 0.000 0.998 160 D CA 1.392 55.403 54.000 0.018 0.000 0.836 160 D CB -0.075 40.748 40.800 0.039 0.000 0.951 160 D HN 0.277 nan 8.370 nan 0.000 0.449 161 R N -0.728 119.581 120.500 -0.319 0.000 2.073 161 R HA -0.023 4.316 4.340 -0.001 0.000 0.229 161 R C 2.297 178.400 176.300 -0.327 0.000 1.120 161 R CA 0.524 56.437 56.100 -0.313 0.000 0.967 161 R CB -0.423 29.661 30.300 -0.359 0.000 0.862 161 R HN 0.172 nan 8.270 nan 0.000 0.436 162 F N 0.440 119.953 119.950 -0.729 0.000 2.146 162 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 162 F C 1.597 177.163 175.800 -0.390 0.000 1.096 162 F CA 1.421 58.996 58.000 -0.708 0.000 1.275 162 F CB -0.185 38.044 39.000 -1.284 0.000 1.008 162 F HN -0.033 nan 8.300 nan 0.000 0.480 163 Y N -1.291 118.861 120.300 -0.247 0.000 2.263 163 Y HA -0.210 4.338 4.550 -0.002 0.000 0.292 163 Y C 2.418 178.109 175.900 -0.348 0.000 1.130 163 Y CA 0.667 58.608 58.100 -0.267 0.000 1.179 163 Y CB -0.329 38.055 38.460 -0.128 0.000 0.998 163 Y HN 0.160 nan 8.280 nan 0.000 0.532 164 M N 0.973 120.477 119.600 -0.159 0.000 2.117 164 M HA -0.232 4.247 4.480 -0.001 0.000 0.262 164 M C 1.992 178.132 176.300 -0.266 0.000 1.065 164 M CA 1.585 56.751 55.300 -0.224 0.000 1.114 164 M CB -0.633 31.887 32.600 -0.133 0.000 1.361 164 M HN 0.157 nan 8.290 nan 0.000 0.408 165 N N 0.374 118.921 118.700 -0.255 0.000 2.084 165 N HA -0.252 4.487 4.740 -0.001 0.000 0.190 165 N C 1.999 177.339 175.510 -0.283 0.000 1.030 165 N CA 1.914 54.820 53.050 -0.240 0.000 0.849 165 N CB -0.363 37.982 38.487 -0.237 0.000 1.012 165 N HN 0.564 nan 8.380 nan 0.000 0.423 166 R N 0.604 120.894 120.500 -0.350 0.000 2.081 166 R HA -0.026 4.314 4.340 -0.001 0.000 0.235 166 R C 2.490 178.645 176.300 -0.241 0.000 1.131 166 R CA 1.126 57.068 56.100 -0.264 0.000 0.960 166 R CB -0.355 29.803 30.300 -0.236 0.000 0.856 166 R HN 0.256 nan 8.270 nan 0.000 0.436 167 I N 1.377 121.737 120.570 -0.351 0.000 2.194 167 I HA -0.336 3.834 4.170 -0.001 0.000 0.246 167 I C 2.644 178.458 176.117 -0.506 0.000 1.093 167 I CA 1.834 62.844 61.300 -0.483 0.000 1.355 167 I CB -0.383 37.144 38.000 -0.790 0.000 1.046 167 I HN 0.430 nan 8.210 nan 0.000 0.413 168 S N 0.153 115.553 115.700 -0.499 0.000 2.355 168 S HA -0.210 4.260 4.470 -0.001 0.000 0.222 168 S C 2.152 176.718 174.600 -0.058 0.000 1.031 168 S CA 1.742 59.803 58.200 -0.232 0.000 0.993 168 S CB -1.076 62.119 63.200 -0.009 0.000 0.859 168 S HN 0.594 nan 8.310 nan 0.000 0.453 169 T N 0.051 114.547 114.554 -0.097 0.000 2.857 169 T HA 0.002 4.351 4.350 -0.001 0.000 0.266 169 T C 2.009 176.697 174.700 -0.019 0.000 1.048 169 T CA 1.003 63.068 62.100 -0.058 0.000 1.139 169 T CB -0.569 68.231 68.868 -0.113 0.000 0.874 169 T HN 0.504 nan 8.240 nan 0.000 0.455 170 R N 0.114 120.599 120.500 -0.025 0.000 2.081 170 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 170 R C 2.488 178.829 176.300 0.067 0.000 1.131 170 R CA 1.678 57.792 56.100 0.023 0.000 0.960 170 R CB -0.434 29.884 30.300 0.031 0.000 0.856 170 R HN 0.446 nan 8.270 nan 0.000 0.436 171 M N 0.899 120.550 119.600 0.085 0.000 2.065 171 M HA -0.144 4.336 4.480 -0.001 0.000 0.259 171 M C 1.883 178.287 176.300 0.174 0.000 1.069 171 M CA 1.730 57.138 55.300 0.179 0.000 1.110 171 M CB -0.305 32.467 32.600 0.287 0.000 1.328 171 M HN 0.205 nan 8.290 nan 0.000 0.405 172 L N -0.871 120.453 121.223 0.168 0.000 2.012 172 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 172 L C 2.583 179.550 176.870 0.162 0.000 1.073 172 L CA 1.796 56.748 54.840 0.186 0.000 0.748 172 L CB -0.984 41.186 42.059 0.185 0.000 0.891 172 L HN 0.448 nan 8.230 nan 0.000 0.431 173 M N -0.299 119.353 119.600 0.086 0.000 2.080 173 M HA -0.230 4.249 4.480 -0.001 0.000 0.260 173 M C 1.944 178.296 176.300 0.086 0.000 1.068 173 M CA 1.963 57.288 55.300 0.043 0.000 1.109 173 M CB -0.676 31.895 32.600 -0.048 0.000 1.342 173 M HN 0.342 nan 8.290 nan 0.000 0.405 174 N N -0.522 118.226 118.700 0.081 0.000 2.166 174 N HA -0.177 4.563 4.740 -0.001 0.000 0.186 174 N C 1.838 177.401 175.510 0.088 0.000 1.019 174 N CA 0.764 53.860 53.050 0.077 0.000 0.856 174 N CB 0.009 38.541 38.487 0.075 0.000 0.993 174 N HN 0.319 nan 8.380 nan 0.000 0.426 175 Q N 0.335 120.205 119.800 0.117 0.000 2.084 175 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 175 Q C 1.802 177.854 176.000 0.087 0.000 0.978 175 Q CA 1.475 57.331 55.803 0.087 0.000 0.844 175 Q CB -0.589 28.227 28.738 0.130 0.000 0.898 175 Q HN 0.586 nan 8.270 nan 0.000 0.426 176 H N 0.219 119.369 119.070 0.134 0.000 2.326 176 H HA -0.014 4.541 4.556 -0.001 0.000 0.301 176 H C 2.068 177.509 175.328 0.188 0.000 1.081 176 H CA 1.660 57.869 56.048 0.269 0.000 1.334 176 H CB -0.073 29.896 29.762 0.345 0.000 1.385 176 H HN 0.127 nan 8.280 nan 0.000 0.504 177 I N 0.089 120.813 120.570 0.257 0.000 2.118 177 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 177 I C 2.218 178.351 176.117 0.026 0.000 1.070 177 I CA 1.470 62.848 61.300 0.131 0.000 1.327 177 I CB -0.386 37.654 38.000 0.067 0.000 1.034 177 I HN 0.275 nan 8.210 nan 0.000 0.405 178 L N 0.088 121.303 121.223 -0.012 0.000 2.093 178 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 178 L C 2.441 179.226 176.870 -0.141 0.000 1.085 178 L CA 1.297 56.103 54.840 -0.057 0.000 0.755 178 L CB -0.336 41.701 42.059 -0.038 0.000 0.904 178 L HN 0.232 nan 8.230 nan 0.000 0.435 179 I N -1.501 118.901 120.570 -0.280 0.000 2.277 179 I HA -0.201 3.969 4.170 -0.001 0.000 0.243 179 I C 1.692 177.461 176.117 -0.579 0.000 1.094 179 I CA 1.409 62.385 61.300 -0.540 0.000 1.393 179 I CB -0.059 37.371 38.000 -0.949 0.000 1.078 179 I HN 0.083 nan 8.210 nan 0.000 0.417 180 F N 0.364 120.232 119.950 -0.137 0.000 2.749 180 F HA 0.133 4.659 4.527 -0.002 0.000 0.300 180 F C 1.704 177.469 175.800 -0.059 0.000 1.103 180 F CA -0.419 57.493 58.000 -0.146 0.000 1.342 180 F CB -0.023 38.778 39.000 -0.332 0.000 1.098 180 F HN -0.023 nan 8.300 nan 0.000 0.586 181 S N -0.933 114.816 115.700 0.083 0.000 2.671 181 S HA 0.402 4.872 4.470 -0.001 0.000 0.272 181 S C -0.464 174.158 174.600 0.037 0.000 1.174 181 S CA -0.785 57.459 58.200 0.074 0.000 1.004 181 S CB 1.599 64.836 63.200 0.063 0.000 1.077 181 S HN -0.034 nan 8.310 nan 0.000 0.553 190 H N 1.050 120.092 119.070 -0.046 0.000 2.671 190 H HA 0.499 5.055 4.556 0.001 0.000 0.372 190 H C -0.456 174.834 175.328 -0.064 0.000 1.227 190 H CA 0.352 56.370 56.048 -0.050 0.000 1.426 190 H CB 0.261 29.995 29.762 -0.046 0.000 1.480 190 H HN 0.244 nan 8.280 nan 0.000 0.611 191 I N 2.066 122.646 120.570 0.016 0.000 2.388 191 I HA 0.264 4.434 4.170 -0.001 0.000 0.281 191 I C 1.196 177.295 176.117 -0.031 0.000 1.046 191 I CA 0.549 61.829 61.300 -0.032 0.000 1.187 191 I CB 0.514 38.481 38.000 -0.055 0.000 1.351 191 I HN 0.908 nan 8.210 nan 0.000 0.472 192 G N 4.782 113.563 108.800 -0.031 0.000 2.591 192 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.298 192 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.298 192 G C 0.864 175.795 174.900 0.051 0.000 1.195 192 G CA 0.514 45.603 45.100 -0.018 0.000 0.989 192 G HN 0.794 nan 8.290 nan 0.000 0.551 193 S N -0.034 115.684 115.700 0.030 0.000 2.605 193 S HA 0.513 4.983 4.470 -0.001 0.000 0.217 193 S C 0.866 175.414 174.600 -0.086 0.000 0.958 193 S CA 0.486 58.712 58.200 0.043 0.000 0.919 193 S CB -0.062 63.147 63.200 0.014 0.000 0.780 193 S HN 0.664 nan 8.310 nan 0.000 0.507 194 I N 2.561 123.047 120.570 -0.142 0.000 2.342 194 I HA 0.303 4.473 4.170 -0.001 0.000 0.291 194 I C -0.334 175.544 176.117 -0.399 0.000 1.010 194 I CA -0.540 60.611 61.300 -0.248 0.000 1.308 194 I CB 1.027 38.917 38.000 -0.184 0.000 1.400 194 I HN 0.070 nan 8.210 nan 0.000 0.488 195 D N 9.328 129.434 120.400 -0.491 0.000 2.317 195 D HA 0.216 4.856 4.640 -0.001 0.000 0.234 195 D C -1.693 174.490 176.300 -0.196 0.000 1.112 195 D CA -2.303 51.404 54.000 -0.488 0.000 0.840 195 D CB 1.802 42.342 40.800 -0.434 0.000 1.078 195 D HN 0.227 nan 8.370 nan 0.000 0.486 196 P HA 0.007 nan 4.420 nan 0.000 0.233 196 P C -0.301 176.964 177.300 -0.057 0.000 1.167 196 P CA 0.363 63.413 63.100 -0.084 0.000 0.770 196 P CB 0.485 32.140 31.700 -0.074 0.000 0.837 197 N N -0.274 118.387 118.700 -0.065 0.000 2.723 197 N HA 0.068 4.808 4.740 -0.001 0.000 0.290 197 N C -0.718 174.811 175.510 0.033 0.000 1.882 197 N CA -0.311 52.693 53.050 -0.077 0.000 0.851 197 N CB -0.143 38.205 38.487 -0.231 0.000 1.234 197 N HN 0.024 nan 8.380 nan 0.000 0.491 198 C N 1.425 120.785 119.300 0.099 0.000 2.657 198 C HA 0.091 4.550 4.460 -0.001 0.000 0.404 198 C C 0.795 175.933 174.990 0.247 0.000 1.369 198 C CA -0.278 58.826 59.018 0.142 0.000 1.665 198 C CB -0.875 26.946 27.740 0.134 0.000 2.453 198 C HN 0.430 nan 8.230 nan 0.000 0.599 199 D N 5.072 125.630 120.400 0.263 0.000 2.470 199 D HA 0.092 4.732 4.640 -0.001 0.000 0.226 199 D C 1.126 177.489 176.300 0.106 0.000 1.196 199 D CA 0.079 54.212 54.000 0.222 0.000 0.979 199 D CB 0.780 41.719 40.800 0.231 0.000 1.059 199 D HN 0.506 nan 8.370 nan 0.000 0.515 200 V N 3.615 123.560 119.914 0.052 0.000 2.332 200 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 200 V C 2.484 178.606 176.094 0.047 0.000 1.055 200 V CA 1.270 63.595 62.300 0.041 0.000 1.038 200 V CB -0.268 31.555 31.823 -0.000 0.000 0.651 200 V HN 0.465 nan 8.190 nan 0.000 0.450 201 V N 0.097 120.023 119.914 0.020 0.000 2.427 201 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 201 V C 2.644 178.773 176.094 0.059 0.000 1.051 201 V CA 1.834 64.152 62.300 0.029 0.000 1.048 201 V CB -1.010 30.811 31.823 -0.003 0.000 0.666 201 V HN 0.564 nan 8.190 nan 0.000 0.456 202 A N -0.133 122.729 122.820 0.070 0.000 1.930 202 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 202 A C 2.351 180.012 177.584 0.130 0.000 1.175 202 A CA 1.896 53.989 52.037 0.092 0.000 0.627 202 A CB -0.568 18.490 19.000 0.098 0.000 0.815 202 A HN 0.352 nan 8.150 nan 0.000 0.443 203 V N -0.322 119.680 119.914 0.146 0.000 2.427 203 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 203 V C 2.539 178.750 176.094 0.195 0.000 1.051 203 V CA 1.776 64.192 62.300 0.194 0.000 1.048 203 V CB -0.811 31.128 31.823 0.194 0.000 0.666 203 V HN 0.365 nan 8.190 nan 0.000 0.456 204 V N -0.132 119.886 119.914 0.173 0.000 2.255 204 V HA -0.366 3.754 4.120 -0.001 0.000 0.247 204 V C 2.500 178.761 176.094 0.278 0.000 1.051 204 V CA 2.333 64.786 62.300 0.254 0.000 1.018 204 V CB -0.787 31.160 31.823 0.206 0.000 0.641 204 V HN 0.572 nan 8.190 nan 0.000 0.445 205 Q N -0.542 119.353 119.800 0.158 0.000 2.124 205 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 205 Q C 2.039 178.143 176.000 0.174 0.000 0.977 205 Q CA 2.091 57.962 55.803 0.113 0.000 0.850 205 Q CB -0.255 28.518 28.738 0.059 0.000 0.901 205 Q HN 0.709 nan 8.270 nan 0.000 0.429 206 D N -0.010 120.506 120.400 0.193 0.000 2.084 206 D HA -0.140 4.499 4.640 -0.001 0.000 0.194 206 D C 1.799 178.249 176.300 0.250 0.000 0.990 206 D CA 1.434 55.570 54.000 0.227 0.000 0.826 206 D CB -0.003 40.970 40.800 0.288 0.000 0.971 206 D HN 0.285 nan 8.370 nan 0.000 0.453 207 A N -0.363 122.556 122.820 0.165 0.000 1.933 207 A HA -0.144 4.175 4.320 -0.001 0.000 0.218 207 A C 2.039 179.806 177.584 0.305 0.000 1.175 207 A CA 0.933 52.989 52.037 0.031 0.000 0.628 207 A CB -1.038 17.929 19.000 -0.055 0.000 0.814 207 A HN 0.397 nan 8.150 nan 0.000 0.444 208 F N 0.689 120.689 119.950 0.083 0.000 2.095 208 F HA -0.197 4.330 4.527 -0.001 0.000 0.298 208 F C 2.270 178.011 175.800 -0.099 0.000 1.104 208 F CA 2.288 60.090 58.000 -0.331 0.000 1.232 208 F CB -0.148 38.480 39.000 -0.620 0.000 0.987 208 F HN 0.320 nan 8.300 nan 0.000 0.475 209 E N -0.218 120.093 120.200 0.185 0.000 2.118 209 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 209 E C 2.229 178.876 176.600 0.079 0.000 0.992 209 E CA 1.799 58.275 56.400 0.126 0.000 0.804 209 E CB -0.746 29.038 29.700 0.140 0.000 0.741 209 E HN 0.487 nan 8.360 nan 0.000 0.458 210 C N -0.636 118.750 119.300 0.144 0.000 2.429 210 C HA -0.073 4.386 4.460 -0.001 0.000 0.277 210 C C 2.941 178.097 174.990 0.277 0.000 1.262 210 C CA 1.151 60.279 59.018 0.183 0.000 1.733 210 C CB -1.138 26.688 27.740 0.144 0.000 2.010 210 C HN 0.509 nan 8.230 nan 0.000 0.483 211 S N 0.095 115.945 115.700 0.249 0.000 2.356 211 S HA -0.187 4.282 4.470 -0.001 0.000 0.223 211 S C 2.214 176.745 174.600 -0.116 0.000 1.032 211 S CA 1.396 59.617 58.200 0.035 0.000 1.005 211 S CB -0.443 62.659 63.200 -0.162 0.000 0.867 211 S HN 0.636 nan 8.310 nan 0.000 0.449 212 R N 0.023 120.370 120.500 -0.256 0.000 2.105 212 R HA -0.063 4.276 4.340 -0.001 0.000 0.239 212 R C 2.320 178.598 176.300 -0.036 0.000 1.135 212 R CA 1.712 57.693 56.100 -0.197 0.000 0.967 212 R CB -0.305 29.879 30.300 -0.194 0.000 0.861 212 R HN 0.470 nan 8.270 nan 0.000 0.442 213 M N 0.336 119.942 119.600 0.011 0.000 2.099 213 M HA -0.152 4.327 4.480 -0.001 0.000 0.262 213 M C 2.327 178.656 176.300 0.049 0.000 1.067 213 M CA 1.513 56.837 55.300 0.039 0.000 1.124 213 M CB -0.232 32.399 32.600 0.052 0.000 1.353 213 M HN 0.175 nan 8.290 nan 0.000 0.410 214 L N -0.613 120.649 121.223 0.065 0.000 2.012 214 L HA -0.303 4.037 4.340 -0.001 0.000 0.210 214 L C 2.828 179.729 176.870 0.051 0.000 1.073 214 L CA 1.221 56.096 54.840 0.058 0.000 0.748 214 L CB -0.635 41.471 42.059 0.080 0.000 0.891 214 L HN 0.517 nan 8.230 nan 0.000 0.431 215 C N 0.323 119.658 119.300 0.058 0.000 2.413 215 C HA -0.221 4.238 4.460 -0.001 0.000 0.277 215 C C 2.502 177.588 174.990 0.161 0.000 1.228 215 C CA 1.401 60.513 59.018 0.157 0.000 1.731 215 C CB -0.793 27.016 27.740 0.115 0.000 2.042 215 C HN 0.555 nan 8.230 nan 0.000 0.468 216 D N -0.413 120.041 120.400 0.090 0.000 2.133 216 D HA -0.198 4.442 4.640 -0.001 0.000 0.195 216 D C 2.167 178.503 176.300 0.060 0.000 0.997 216 D CA 1.701 55.746 54.000 0.075 0.000 0.840 216 D CB -0.683 40.146 40.800 0.047 0.000 0.947 216 D HN 0.767 nan 8.370 nan 0.000 0.452 217 Q N -1.022 118.810 119.800 0.054 0.000 2.079 217 Q HA -0.211 4.128 4.340 -0.001 0.000 0.200 217 Q C 2.088 178.106 176.000 0.030 0.000 0.974 217 Q CA 1.067 56.894 55.803 0.041 0.000 0.840 217 Q CB -0.185 28.581 28.738 0.047 0.000 0.898 217 Q HN 0.347 nan 8.270 nan 0.000 0.430 218 Y N -0.542 119.668 120.300 -0.151 0.000 2.206 218 Y HA -0.132 4.418 4.550 -0.000 0.000 0.292 218 Y C 1.028 176.731 175.900 -0.328 0.000 1.123 218 Y CA 1.368 59.280 58.100 -0.314 0.000 1.142 218 Y CB 0.051 38.193 38.460 -0.529 0.000 1.006 218 Y HN 0.156 nan 8.280 nan 0.000 0.518 219 Y N -0.629 119.672 120.300 0.001 0.000 2.462 219 Y HA 0.212 4.762 4.550 -0.001 0.000 0.261 219 Y C 1.132 176.995 175.900 -0.062 0.000 1.146 219 Y CA 0.097 58.156 58.100 -0.069 0.000 1.283 219 Y CB 0.121 38.588 38.460 0.012 0.000 1.090 219 Y HN 0.053 nan 8.280 nan 0.000 0.526 220 L N -0.569 120.701 121.223 0.078 0.000 5.081 220 L HA -0.323 4.017 4.340 -0.001 0.000 0.423 220 L C 0.263 177.167 176.870 0.055 0.000 1.019 220 L CA 0.909 55.775 54.840 0.043 0.000 1.223 220 L CB -2.108 39.958 42.059 0.012 0.000 1.940 220 L HN 0.354 nan 8.230 nan 0.000 0.675 221 S N -1.405 114.347 115.700 0.087 0.000 2.643 221 S HA 0.860 5.329 4.470 -0.001 0.000 0.270 221 S C -0.548 174.093 174.600 0.069 0.000 1.166 221 S CA 0.085 58.319 58.200 0.057 0.000 0.815 221 S CB 2.786 66.004 63.200 0.029 0.000 1.139 221 S HN 0.739 nan 8.310 nan 0.000 0.472 222 S N -0.520 115.204 115.700 0.040 0.000 2.552 222 S HA 0.783 5.253 4.470 -0.001 0.000 0.272 222 S C -3.525 171.093 174.600 0.030 0.000 1.150 222 S CA -1.103 57.113 58.200 0.027 0.000 0.849 222 S CB 0.647 63.856 63.200 0.016 0.000 1.113 222 S HN 0.635 nan 8.310 nan 0.000 0.458 223 P HA 0.384 nan 4.420 nan 0.000 0.274 223 P C -0.513 176.897 177.300 0.183 0.000 1.231 223 P CA -0.382 62.763 63.100 0.074 0.000 0.790 223 P CB 0.348 32.091 31.700 0.070 0.000 0.951 224 E N 0.396 120.671 120.200 0.124 0.000 2.345 224 E HA 0.332 4.682 4.350 -0.001 0.000 0.259 224 E C -0.544 176.029 176.600 -0.046 0.000 1.117 224 E CA -0.819 55.630 56.400 0.083 0.000 0.913 224 E CB 0.574 30.272 29.700 -0.004 0.000 1.057 224 E HN 0.230 nan 8.360 nan 0.000 0.432 225 L N 1.254 122.217 121.223 -0.434 0.000 2.295 225 L HA 0.282 4.621 4.340 -0.001 0.000 0.285 225 L C -0.894 175.748 176.870 -0.379 0.000 1.035 225 L CA -0.058 54.297 54.840 -0.809 0.000 0.806 225 L CB 0.716 41.805 42.059 -1.616 0.000 1.214 225 L HN 0.306 nan 8.230 nan 0.000 0.426 226 K N 6.209 126.461 120.400 -0.246 0.000 2.425 226 K HA 0.486 4.805 4.320 -0.001 0.000 0.259 226 K C -1.453 175.076 176.600 -0.117 0.000 0.978 226 K CA -0.550 55.651 56.287 -0.144 0.000 0.883 226 K CB 1.684 34.136 32.500 -0.081 0.000 1.110 226 K HN 0.594 nan 8.250 nan 0.000 0.436 227 L N 2.051 123.208 121.223 -0.111 0.000 2.346 227 L HA 0.513 4.853 4.340 -0.001 0.000 0.276 227 L C -0.945 175.899 176.870 -0.044 0.000 1.006 227 L CA -0.019 54.775 54.840 -0.075 0.000 0.817 227 L CB 2.098 44.103 42.059 -0.090 0.000 1.272 227 L HN 0.462 nan 8.230 nan 0.000 0.421 228 T N 3.658 118.198 114.554 -0.024 0.000 2.906 228 T HA 0.568 4.918 4.350 -0.001 0.000 0.295 228 T C -1.470 173.224 174.700 -0.010 0.000 1.061 228 T CA -0.598 61.493 62.100 -0.015 0.000 1.000 228 T CB 1.795 70.658 68.868 -0.008 0.000 1.103 228 T HN 0.692 nan 8.240 nan 0.000 0.486 229 Q N 0.120 119.915 119.800 -0.008 0.000 2.379 229 Q HA 0.817 5.157 4.340 -0.001 0.000 0.278 229 Q C -2.026 173.973 176.000 -0.002 0.000 1.068 229 Q CA -1.003 54.796 55.803 -0.007 0.000 0.816 229 Q CB 2.096 30.826 28.738 -0.013 0.000 1.387 229 Q HN 0.382 nan 8.270 nan 0.000 0.413 230 V N 2.404 122.318 119.914 0.000 0.000 2.569 230 V HA 0.348 4.468 4.120 -0.001 0.000 0.301 230 V C -1.063 175.036 176.094 0.007 0.000 1.044 230 V CA -0.798 61.504 62.300 0.004 0.000 0.874 230 V CB 1.861 33.686 31.823 0.004 0.000 1.002 230 V HN 0.860 nan 8.190 nan 0.000 0.424 231 N N 3.272 121.982 118.700 0.017 0.000 2.589 231 N HA 0.293 5.032 4.740 -0.001 0.000 0.232 231 N C 1.046 176.559 175.510 0.005 0.000 1.015 231 N CA 0.456 53.524 53.050 0.031 0.000 0.931 231 N CB 1.856 40.390 38.487 0.078 0.000 1.150 231 N HN 0.798 nan 8.380 nan 0.000 0.512 232 G N 2.618 111.402 108.800 -0.028 0.000 2.403 232 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.216 232 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.216 232 G C 1.350 176.170 174.900 -0.132 0.000 1.154 232 G CA 0.386 45.452 45.100 -0.057 0.000 0.784 232 G HN 0.530 nan 8.290 nan 0.000 0.538 233 K N -0.734 119.531 120.400 -0.225 0.000 2.097 233 K HA 0.031 4.351 4.320 -0.001 0.000 0.205 233 K C -0.350 175.776 176.600 -0.791 0.000 1.050 233 K CA 0.636 56.578 56.287 -0.576 0.000 0.938 233 K CB -0.067 31.984 32.500 -0.748 0.000 0.718 233 K HN 0.283 nan 8.250 nan 0.000 0.442 234 F N 0.641 120.595 119.950 0.008 0.000 2.931 234 F HA 0.328 4.856 4.527 0.002 0.000 0.375 234 F C -2.544 173.260 175.800 0.005 0.000 1.243 234 F CA -2.726 55.280 58.000 0.009 0.000 1.206 234 F CB 1.207 40.215 39.000 0.015 0.000 1.643 234 F HN -0.176 nan 8.300 nan 0.000 0.593 235 P HA 0.068 nan 4.420 nan 0.000 0.264 235 P C 0.143 177.492 177.300 0.081 0.000 1.183 235 P CA 1.002 64.146 63.100 0.073 0.000 0.763 235 P CB 0.584 32.310 31.700 0.044 0.000 0.807 236 D N -0.927 119.508 120.400 0.058 0.000 2.792 236 D HA -0.147 4.492 4.640 -0.001 0.000 0.192 236 D C -0.114 176.214 176.300 0.047 0.000 1.007 236 D CA 1.303 55.330 54.000 0.045 0.000 1.020 236 D CB -1.029 39.795 40.800 0.040 0.000 1.089 236 D HN 0.566 nan 8.370 nan 0.000 0.438 237 Q N 0.642 120.485 119.800 0.072 0.000 2.226 237 Q HA 0.525 4.865 4.340 -0.001 0.000 0.256 237 Q C -2.247 173.773 176.000 0.034 0.000 0.962 237 Q CA -1.629 54.208 55.803 0.056 0.000 0.887 237 Q CB 1.755 30.534 28.738 0.069 0.000 1.282 237 Q HN 0.096 nan 8.270 nan 0.000 0.449 238 P HA 0.130 nan 4.420 nan 0.000 0.272 238 P C -0.614 176.564 177.300 -0.204 0.000 1.240 238 P CA 0.030 63.060 63.100 -0.117 0.000 0.791 238 P CB 0.741 32.360 31.700 -0.135 0.000 0.978 239 I N 1.687 122.070 120.570 -0.312 0.000 2.328 239 I HA 0.278 4.448 4.170 -0.001 0.000 0.287 239 I C 0.202 176.094 176.117 -0.374 0.000 1.012 239 I CA -0.321 60.855 61.300 -0.207 0.000 1.195 239 I CB 0.204 38.154 38.000 -0.084 0.000 1.350 239 I HN 0.359 nan 8.210 nan 0.000 0.464 240 H N 6.222 125.326 119.070 0.056 0.000 2.717 240 H HA 0.734 5.289 4.556 -0.002 0.000 0.366 240 H C -0.601 174.760 175.328 0.055 0.000 1.132 240 H CA -0.752 55.320 56.048 0.041 0.000 1.180 240 H CB 2.350 32.121 29.762 0.015 0.000 1.678 240 H HN 0.521 nan 8.280 nan 0.000 0.537 241 I N -1.559 119.116 120.570 0.175 0.000 3.191 241 I HA 0.567 4.737 4.170 -0.001 0.000 0.313 241 I C -1.069 175.114 176.117 0.110 0.000 1.193 241 I CA -1.491 59.887 61.300 0.129 0.000 0.968 241 I CB 1.871 39.932 38.000 0.102 0.000 1.262 241 I HN 0.252 nan 8.210 nan 0.000 0.456 242 V N 2.989 122.948 119.914 0.075 0.000 2.470 242 V HA 0.294 4.413 4.120 -0.001 0.000 0.276 242 V C -0.765 175.387 176.094 0.097 0.000 1.040 242 V CA 0.539 62.855 62.300 0.025 0.000 1.008 242 V CB -0.110 31.691 31.823 -0.037 0.000 0.990 242 V HN 0.617 nan 8.190 nan 0.000 0.477 243 Y N 2.591 122.825 120.300 -0.110 0.000 2.656 243 Y HA 0.462 5.009 4.550 -0.005 0.000 0.334 243 Y C -0.428 175.400 175.900 -0.120 0.000 1.179 243 Y CA -0.932 57.109 58.100 -0.099 0.000 1.050 243 Y CB 1.999 40.452 38.460 -0.011 0.000 1.308 243 Y HN 0.228 nan 8.280 nan 0.000 0.456 244 V N 5.983 125.550 119.914 -0.578 0.000 2.338 244 V HA 0.167 4.287 4.120 -0.001 0.000 0.255 244 V C -1.916 174.162 176.094 -0.027 0.000 1.082 244 V CA -1.142 60.932 62.300 -0.377 0.000 0.951 244 V CB 0.526 31.938 31.823 -0.685 0.000 1.102 244 V HN 0.654 nan 8.190 nan 0.000 0.489 245 P HA -0.167 nan 4.420 nan 0.000 0.216 245 P C 1.904 179.329 177.300 0.208 0.000 1.150 245 P CA 1.723 64.936 63.100 0.188 0.000 0.837 245 P CB 0.110 31.910 31.700 0.166 0.000 0.786 246 S N -1.218 114.562 115.700 0.133 0.000 2.383 246 S HA -0.264 4.205 4.470 -0.001 0.000 0.229 246 S C 1.915 176.640 174.600 0.208 0.000 1.030 246 S CA 1.264 59.551 58.200 0.146 0.000 1.002 246 S CB -1.892 61.373 63.200 0.108 0.000 0.829 246 S HN 0.337 nan 8.310 nan 0.000 0.467 247 H N 0.313 119.388 119.070 0.009 0.000 2.357 247 H HA 0.057 4.612 4.556 -0.002 0.000 0.301 247 H C 2.268 177.652 175.328 0.093 0.000 1.082 247 H CA 1.189 57.147 56.048 -0.149 0.000 1.342 247 H CB -0.147 29.664 29.762 0.082 0.000 1.389 247 H HN 0.315 nan 8.280 nan 0.000 0.511 248 L N 0.622 122.104 121.223 0.432 0.000 2.056 248 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 248 L C 2.442 179.447 176.870 0.226 0.000 1.078 248 L CA 1.690 56.720 54.840 0.317 0.000 0.749 248 L CB -0.979 41.248 42.059 0.280 0.000 0.901 248 L HN 0.340 nan 8.230 nan 0.000 0.433 249 H N -1.209 117.961 119.070 0.167 0.000 2.289 249 H HA -0.287 4.268 4.556 -0.001 0.000 0.296 249 H C 2.263 177.685 175.328 0.156 0.000 1.091 249 H CA 2.419 58.555 56.048 0.146 0.000 1.274 249 H CB -0.158 29.671 29.762 0.111 0.000 1.364 249 H HN 0.658 nan 8.280 nan 0.000 0.490 250 H N 0.072 119.257 119.070 0.191 0.000 2.289 250 H HA -0.141 4.414 4.556 -0.001 0.000 0.296 250 H C 2.716 178.128 175.328 0.140 0.000 1.091 250 H CA 2.514 58.650 56.048 0.146 0.000 1.274 250 H CB -0.179 29.526 29.762 -0.095 0.000 1.364 250 H HN 0.285 nan 8.280 nan 0.000 0.490 251 M N -0.358 119.378 119.600 0.226 0.000 2.080 251 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 251 M C 2.392 178.669 176.300 -0.038 0.000 1.068 251 M CA 1.667 57.059 55.300 0.153 0.000 1.109 251 M CB -0.273 32.430 32.600 0.170 0.000 1.342 251 M HN 0.296 nan 8.290 nan 0.000 0.405 252 L N -1.185 119.982 121.223 -0.094 0.000 2.056 252 L HA -0.175 4.165 4.340 -0.001 0.000 0.207 252 L C 2.494 179.185 176.870 -0.299 0.000 1.078 252 L CA 1.032 55.675 54.840 -0.328 0.000 0.749 252 L CB -0.708 41.213 42.059 -0.229 0.000 0.901 252 L HN 0.179 nan 8.230 nan 0.000 0.433 253 F N 1.231 121.040 119.950 -0.234 0.000 2.091 253 F HA -0.259 4.267 4.527 -0.002 0.000 0.299 253 F C 2.575 178.304 175.800 -0.118 0.000 1.103 253 F CA 1.754 59.676 58.000 -0.130 0.000 1.228 253 F CB -0.169 38.726 39.000 -0.174 0.000 0.984 253 F HN 0.045 nan 8.300 nan 0.000 0.477 254 E N 0.550 120.593 120.200 -0.261 0.000 2.072 254 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 254 E C 2.503 178.950 176.600 -0.255 0.000 0.985 254 E CA 1.354 57.565 56.400 -0.315 0.000 0.801 254 E CB -0.691 28.904 29.700 -0.174 0.000 0.750 254 E HN 0.472 nan 8.360 nan 0.000 0.452 255 L N -0.351 120.727 121.223 -0.241 0.000 2.093 255 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 255 L C 2.490 179.250 176.870 -0.184 0.000 1.085 255 L CA 0.972 55.670 54.840 -0.237 0.000 0.755 255 L CB -0.450 41.428 42.059 -0.302 0.000 0.904 255 L HN 0.075 nan 8.230 nan 0.000 0.435 256 F N 0.227 120.090 119.950 -0.145 0.000 2.186 256 F HA -0.197 4.331 4.527 0.001 0.000 0.299 256 F C 2.631 178.283 175.800 -0.247 0.000 1.090 256 F CA 0.838 58.740 58.000 -0.162 0.000 1.307 256 F CB -0.126 38.773 39.000 -0.169 0.000 1.019 256 F HN -0.056 nan 8.300 nan 0.000 0.489 257 K N 0.200 120.493 120.400 -0.178 0.000 2.097 257 K HA -0.174 4.145 4.320 -0.001 0.000 0.206 257 K C 1.691 178.212 176.600 -0.132 0.000 1.049 257 K CA 1.370 57.509 56.287 -0.246 0.000 0.933 257 K CB -0.233 32.004 32.500 -0.438 0.000 0.717 257 K HN 0.170 nan 8.250 nan 0.000 0.442 258 N N 0.814 119.438 118.700 -0.126 0.000 2.106 258 N HA -0.129 4.610 4.740 -0.001 0.000 0.188 258 N C 1.663 177.137 175.510 -0.060 0.000 1.029 258 N CA 1.425 54.419 53.050 -0.092 0.000 0.848 258 N CB -0.408 38.013 38.487 -0.110 0.000 1.007 258 N HN 0.164 nan 8.380 nan 0.000 0.423 259 A N 0.805 123.609 122.820 -0.028 0.000 1.933 259 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 259 A C 2.287 179.860 177.584 -0.018 0.000 1.175 259 A CA 1.195 53.230 52.037 -0.003 0.000 0.628 259 A CB -0.441 18.613 19.000 0.089 0.000 0.814 259 A HN 0.198 nan 8.150 nan 0.000 0.444 260 M N -1.379 118.205 119.600 -0.027 0.000 2.099 260 M HA -0.117 4.362 4.480 -0.001 0.000 0.262 260 M C 2.425 178.672 176.300 -0.088 0.000 1.067 260 M CA 1.897 57.162 55.300 -0.057 0.000 1.124 260 M CB -0.287 32.268 32.600 -0.076 0.000 1.353 260 M HN 0.541 nan 8.290 nan 0.000 0.410 261 R N 0.684 121.154 120.500 -0.050 0.000 2.091 261 R HA -0.149 4.191 4.340 -0.001 0.000 0.238 261 R C 2.067 178.285 176.300 -0.136 0.000 1.136 261 R CA 1.771 57.822 56.100 -0.082 0.000 0.959 261 R CB -0.331 29.997 30.300 0.048 0.000 0.856 261 R HN 0.336 nan 8.270 nan 0.000 0.437 262 A N 0.256 123.025 122.820 -0.086 0.000 1.902 262 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 262 A C 2.213 179.753 177.584 -0.073 0.000 1.181 262 A CA 2.025 54.015 52.037 -0.078 0.000 0.623 262 A CB -0.969 17.981 19.000 -0.083 0.000 0.818 262 A HN 0.504 nan 8.150 nan 0.000 0.443 263 T N -0.316 114.189 114.554 -0.082 0.000 2.674 263 T HA -0.131 4.218 4.350 -0.001 0.000 0.265 263 T C 1.908 176.553 174.700 -0.092 0.000 1.039 263 T CA 1.703 63.765 62.100 -0.063 0.000 1.150 263 T CB -0.542 68.291 68.868 -0.059 0.000 0.864 263 T HN 0.139 nan 8.240 nan 0.000 0.427 264 V N 1.520 121.317 119.914 -0.195 0.000 2.287 264 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 264 V C 2.505 178.449 176.094 -0.250 0.000 1.053 264 V CA 1.774 63.903 62.300 -0.284 0.000 1.027 264 V CB -0.588 30.879 31.823 -0.593 0.000 0.646 264 V HN 0.550 nan 8.190 nan 0.000 0.447 265 E N -0.852 119.201 120.200 -0.245 0.000 2.107 265 E HA -0.231 4.119 4.350 -0.001 0.000 0.191 265 E C 2.167 178.744 176.600 -0.037 0.000 0.982 265 E CA 1.276 57.594 56.400 -0.137 0.000 0.809 265 E CB -0.172 29.474 29.700 -0.089 0.000 0.756 265 E HN 0.733 nan 8.360 nan 0.000 0.459 266 H N 0.900 119.904 119.070 -0.110 0.000 2.428 266 H HA 0.018 4.574 4.556 -0.000 0.000 0.296 266 H C 0.920 176.203 175.328 -0.075 0.000 1.062 266 H CA 1.239 57.239 56.048 -0.080 0.000 1.350 266 H CB 0.306 30.018 29.762 -0.083 0.000 1.403 266 H HN 0.012 nan 8.280 nan 0.000 0.533 267 Q N 0.239 119.965 119.800 -0.124 0.000 2.225 267 Q HA 0.042 4.382 4.340 -0.001 0.000 0.259 267 Q C 1.069 176.995 176.000 -0.124 0.000 0.872 267 Q CA 0.130 55.834 55.803 -0.164 0.000 1.042 267 Q CB 0.486 29.163 28.738 -0.102 0.000 1.142 267 Q HN 0.740 nan 8.270 nan 0.000 0.463 268 E N -0.230 119.899 120.200 -0.118 0.000 2.333 268 E HA -0.194 4.155 4.350 -0.001 0.000 0.198 268 E C 0.376 176.932 176.600 -0.073 0.000 1.007 268 E CA 1.039 57.386 56.400 -0.088 0.000 0.845 268 E CB -0.078 29.579 29.700 -0.071 0.000 0.766 268 E HN 0.308 nan 8.360 nan 0.000 0.507 269 N N 0.587 119.236 118.700 -0.085 0.000 2.321 269 N HA 0.064 4.803 4.740 -0.001 0.000 0.242 269 N C -0.767 174.707 175.510 -0.061 0.000 1.141 269 N CA -0.251 52.760 53.050 -0.065 0.000 0.864 269 N CB 0.555 39.005 38.487 -0.061 0.000 1.100 269 N HN 0.086 nan 8.380 nan 0.000 0.510 270 Q N 0.157 119.919 119.800 -0.065 0.000 2.306 270 Q HA 0.284 4.624 4.340 -0.001 0.000 0.265 270 Q C -1.671 174.305 176.000 -0.040 0.000 1.022 270 Q CA -1.687 54.084 55.803 -0.054 0.000 0.853 270 Q CB 1.647 30.347 28.738 -0.063 0.000 1.327 270 Q HN 0.079 nan 8.270 nan 0.000 0.449 271 P HA -0.061 nan 4.420 nan 0.000 0.225 271 P C 0.167 177.455 177.300 -0.020 0.000 1.156 271 P CA 0.806 63.893 63.100 -0.022 0.000 0.787 271 P CB 0.502 32.192 31.700 -0.017 0.000 0.802 272 S N -1.541 114.146 115.700 -0.022 0.000 2.794 272 S HA 0.684 5.154 4.470 -0.001 0.000 0.299 272 S C -1.123 173.462 174.600 -0.025 0.000 1.179 272 S CA -0.906 57.283 58.200 -0.018 0.000 0.838 272 S CB 1.085 64.277 63.200 -0.012 0.000 1.206 272 S HN -0.107 nan 8.310 nan 0.000 0.523 273 L N 1.708 122.919 121.223 -0.019 0.000 2.386 273 L HA 0.550 4.890 4.340 -0.001 0.000 0.271 273 L C 0.063 176.925 176.870 -0.014 0.000 0.993 273 L CA -0.828 53.998 54.840 -0.023 0.000 0.819 273 L CB 2.513 44.560 42.059 -0.021 0.000 1.294 273 L HN 1.020 nan 8.230 nan 0.000 0.414 274 T N 0.158 114.700 114.554 -0.020 0.000 2.926 274 T HA 0.300 4.650 4.350 -0.001 0.000 0.307 274 T C -2.230 172.465 174.700 -0.008 0.000 1.059 274 T CA -1.195 60.894 62.100 -0.018 0.000 1.122 274 T CB 0.605 69.452 68.868 -0.035 0.000 0.972 274 T HN 0.301 nan 8.240 nan 0.000 0.545 275 P HA 0.331 nan 4.420 nan 0.000 0.273 275 P C -0.393 176.917 177.300 0.016 0.000 1.250 275 P CA -0.636 62.467 63.100 0.005 0.000 0.793 275 P CB 0.637 32.325 31.700 -0.021 0.000 1.011 276 I N 0.894 121.495 120.570 0.051 0.000 2.331 276 I HA 0.176 4.345 4.170 -0.001 0.000 0.292 276 I C 0.849 176.981 176.117 0.025 0.000 0.998 276 I CA -0.239 61.111 61.300 0.083 0.000 1.267 276 I CB 0.563 38.699 38.000 0.228 0.000 1.386 276 I HN 0.206 nan 8.210 nan 0.000 0.476 277 E N 5.586 125.803 120.200 0.028 0.000 2.175 277 E HA 0.539 4.889 4.350 -0.001 0.000 0.278 277 E C -1.193 175.431 176.600 0.040 0.000 0.969 277 E CA -0.618 55.787 56.400 0.008 0.000 0.796 277 E CB 2.379 32.081 29.700 0.004 0.000 1.104 277 E HN 0.248 nan 8.360 nan 0.000 0.395 278 V N 4.410 124.341 119.914 0.027 0.000 2.588 278 V HA 0.454 4.573 4.120 -0.001 0.000 0.304 278 V C -0.480 175.627 176.094 0.022 0.000 1.042 278 V CA -0.785 61.550 62.300 0.059 0.000 0.877 278 V CB 1.891 33.791 31.823 0.129 0.000 0.996 278 V HN 0.640 nan 8.190 nan 0.000 0.425 279 I N 4.336 124.916 120.570 0.016 0.000 2.465 279 I HA 0.656 4.826 4.170 -0.001 0.000 0.291 279 I C -1.203 174.913 176.117 -0.002 0.000 1.014 279 I CA -0.675 60.629 61.300 0.006 0.000 1.093 279 I CB 2.017 40.022 38.000 0.007 0.000 1.267 279 I HN 0.398 nan 8.210 nan 0.000 0.431 280 V N 7.683 127.595 119.914 -0.003 0.000 2.417 280 V HA 0.481 4.601 4.120 -0.001 0.000 0.291 280 V C -0.394 175.695 176.094 -0.009 0.000 1.024 280 V CA -0.549 61.745 62.300 -0.011 0.000 0.861 280 V CB 1.614 33.432 31.823 -0.008 0.000 0.985 280 V HN 0.455 nan 8.190 nan 0.000 0.436 281 V N 5.982 125.890 119.914 -0.010 0.000 2.531 281 V HA 0.476 4.596 4.120 -0.001 0.000 0.301 281 V C -0.730 175.366 176.094 0.003 0.000 1.034 281 V CA -0.615 61.684 62.300 -0.001 0.000 0.865 281 V CB 1.939 33.766 31.823 0.006 0.000 0.995 281 V HN 0.659 nan 8.190 nan 0.000 0.424 282 L N 4.931 126.156 121.223 0.004 0.000 2.280 282 L HA 0.913 5.253 4.340 -0.001 0.000 0.287 282 L C 0.401 177.259 176.870 -0.020 0.000 1.023 282 L CA 0.555 55.399 54.840 0.007 0.000 0.819 282 L CB 0.931 43.011 42.059 0.035 0.000 1.212 282 L HN 0.729 nan 8.230 nan 0.000 0.420 283 G N 3.335 112.123 108.800 -0.019 0.000 2.938 283 G HA2 0.317 4.277 3.960 -0.001 0.000 0.258 283 G HA3 0.317 4.277 3.960 -0.001 0.000 0.258 283 G C 0.257 175.115 174.900 -0.070 0.000 1.356 283 G CA -0.468 44.604 45.100 -0.046 0.000 1.052 283 G HN 0.556 nan 8.290 nan 0.000 0.550 284 K N -0.317 120.037 120.400 -0.077 0.000 2.009 284 K HA -0.098 4.221 4.320 -0.001 0.000 0.210 284 K C 2.054 178.631 176.600 -0.039 0.000 1.049 284 K CA 1.756 57.993 56.287 -0.083 0.000 0.929 284 K CB -0.027 32.431 32.500 -0.071 0.000 0.714 284 K HN 0.557 nan 8.250 nan 0.000 0.440 285 E N -0.050 120.141 120.200 -0.015 0.000 2.364 285 E HA 0.017 4.367 4.350 -0.001 0.000 0.196 285 E C -0.302 176.314 176.600 0.026 0.000 0.990 285 E CA 0.226 56.629 56.400 0.006 0.000 0.886 285 E CB 0.502 30.204 29.700 0.003 0.000 0.866 285 E HN 0.201 nan 8.360 nan 0.000 0.493 286 D N 0.338 120.756 120.400 0.032 0.000 2.575 286 D HA 0.257 4.896 4.640 -0.001 0.000 0.236 286 D C -1.210 175.123 176.300 0.055 0.000 1.075 286 D CA -0.552 53.487 54.000 0.064 0.000 0.860 286 D CB 2.165 43.027 40.800 0.104 0.000 1.475 286 D HN -0.101 nan 8.370 nan 0.000 0.474 287 L N 1.551 122.806 121.223 0.054 0.000 2.296 287 L HA 0.562 4.902 4.340 -0.001 0.000 0.286 287 L C -0.938 175.947 176.870 0.024 0.000 1.023 287 L CA 0.018 54.871 54.840 0.021 0.000 0.812 287 L CB 1.010 43.060 42.059 -0.015 0.000 1.223 287 L HN 0.325 nan 8.230 nan 0.000 0.421 288 T N 6.392 120.947 114.554 0.001 0.000 2.863 288 T HA 0.656 5.005 4.350 -0.001 0.000 0.285 288 T C -0.241 174.402 174.700 -0.095 0.000 1.009 288 T CA -0.312 61.747 62.100 -0.068 0.000 0.989 288 T CB 1.935 70.784 68.868 -0.033 0.000 1.004 288 T HN 0.479 nan 8.240 nan 0.000 0.455 289 I N 2.505 122.984 120.570 -0.151 0.000 2.478 289 I HA 0.462 4.631 4.170 -0.001 0.000 0.287 289 I C -0.350 175.693 176.117 -0.124 0.000 1.042 289 I CA -0.798 60.440 61.300 -0.104 0.000 1.067 289 I CB 2.069 40.013 38.000 -0.093 0.000 1.233 289 I HN 0.361 nan 8.210 nan 0.000 0.431 290 K N 7.563 127.920 120.400 -0.072 0.000 2.323 290 K HA 0.685 5.005 4.320 -0.001 0.000 0.259 290 K C -1.470 175.111 176.600 -0.032 0.000 0.947 290 K CA -0.478 55.773 56.287 -0.061 0.000 0.819 290 K CB 1.508 33.997 32.500 -0.019 0.000 1.109 290 K HN 0.572 nan 8.250 nan 0.000 0.429 291 I N 3.114 123.656 120.570 -0.047 0.000 2.355 291 I HA 0.222 4.392 4.170 -0.001 0.000 0.288 291 I C -0.676 175.427 176.117 -0.022 0.000 0.999 291 I CA -0.688 60.618 61.300 0.010 0.000 1.163 291 I CB 2.017 40.002 38.000 -0.025 0.000 1.316 291 I HN 0.518 nan 8.210 nan 0.000 0.454 292 S N 4.617 120.319 115.700 0.004 0.000 2.473 292 S HA 0.532 5.001 4.470 -0.001 0.000 0.307 292 S C -0.882 173.704 174.600 -0.023 0.000 1.094 292 S CA -0.798 57.378 58.200 -0.040 0.000 1.070 292 S CB 1.556 64.741 63.200 -0.025 0.000 1.019 292 S HN 0.745 nan 8.310 nan 0.000 0.480 293 D N 0.508 120.867 120.400 -0.069 0.000 2.477 293 D HA 0.475 5.114 4.640 -0.001 0.000 0.234 293 D C -0.600 175.586 176.300 -0.190 0.000 1.048 293 D CA -1.077 52.872 54.000 -0.086 0.000 0.959 293 D CB 0.857 41.619 40.800 -0.062 0.000 1.408 293 D HN 0.273 nan 8.370 nan 0.000 0.496 294 R N 0.226 120.593 120.500 -0.222 0.000 3.335 294 R HA 0.419 4.758 4.340 -0.001 0.000 0.337 294 R C 0.597 176.756 176.300 -0.234 0.000 1.283 294 R CA -0.437 55.434 56.100 -0.381 0.000 1.246 294 R CB 0.956 31.000 30.300 -0.428 0.000 1.464 294 R HN 0.618 nan 8.270 nan 0.000 0.607 295 G N -0.572 108.086 108.800 -0.236 0.000 3.314 295 G HA2 0.256 4.216 3.960 -0.001 0.000 0.238 295 G HA3 0.256 4.216 3.960 -0.001 0.000 0.238 295 G C 0.991 175.599 174.900 -0.488 0.000 1.184 295 G CA 0.363 45.340 45.100 -0.206 0.000 0.806 295 G HN 0.550 nan 8.290 nan 0.000 0.536 296 G N -1.251 107.103 108.800 -0.744 0.000 2.217 296 G HA2 0.193 4.153 3.960 -0.001 0.000 0.246 296 G HA3 0.193 4.153 3.960 -0.001 0.000 0.246 296 G C 1.179 175.855 174.900 -0.373 0.000 0.990 296 G CA 0.598 45.105 45.100 -0.990 0.000 0.627 296 G HN 2.093 nan 8.290 nan 0.000 0.522 297 G N -2.002 106.650 108.800 -0.248 0.000 2.698 297 G HA2 0.216 4.175 3.960 -0.001 0.000 0.233 297 G HA3 0.216 4.175 3.960 -0.001 0.000 0.233 297 G C -0.222 174.633 174.900 -0.075 0.000 1.352 297 G CA 0.317 45.347 45.100 -0.117 0.000 0.879 297 G HN 1.720 nan 8.290 nan 0.000 0.567 298 V N 0.763 120.659 119.914 -0.030 0.000 2.808 298 V HA 0.588 4.708 4.120 -0.001 0.000 0.308 298 V C -2.192 173.908 176.094 0.010 0.000 1.099 298 V CA -1.117 61.180 62.300 -0.006 0.000 0.920 298 V CB 2.312 34.135 31.823 0.000 0.000 1.014 298 V HN 0.791 nan 8.190 nan 0.000 0.425 299 P HA 0.135 nan 4.420 nan 0.000 0.269 299 P C 0.662 177.972 177.300 0.017 0.000 1.209 299 P CA -0.216 62.895 63.100 0.018 0.000 0.776 299 P CB 0.738 32.450 31.700 0.020 0.000 0.876 300 L N 3.761 124.996 121.223 0.019 0.000 2.131 300 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 300 L C 2.369 179.244 176.870 0.007 0.000 1.092 300 L CA 1.694 56.545 54.840 0.020 0.000 0.759 300 L CB -0.825 41.245 42.059 0.017 0.000 0.903 300 L HN 0.292 nan 8.230 nan 0.000 0.435 301 R N -0.440 120.062 120.500 0.003 0.000 2.133 301 R HA -0.206 4.134 4.340 -0.001 0.000 0.247 301 R C 2.063 178.353 176.300 -0.017 0.000 1.151 301 R CA 2.314 58.412 56.100 -0.004 0.000 0.971 301 R CB -0.337 29.965 30.300 0.003 0.000 0.866 301 R HN 0.529 nan 8.270 nan 0.000 0.447 302 I N 0.139 120.698 120.570 -0.019 0.000 3.968 302 I HA -0.072 4.097 4.170 -0.001 0.000 0.328 302 I C 1.521 177.591 176.117 -0.079 0.000 1.290 302 I CA -0.266 61.000 61.300 -0.057 0.000 1.163 302 I CB 0.265 38.253 38.000 -0.020 0.000 1.024 302 I HN 0.166 nan 8.210 nan 0.000 0.413 303 I N 1.014 121.574 120.570 -0.017 0.000 2.118 303 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 303 I C 2.013 178.175 176.117 0.074 0.000 1.070 303 I CA 1.802 63.123 61.300 0.035 0.000 1.327 303 I CB -0.921 37.127 38.000 0.079 0.000 1.034 303 I HN 0.260 nan 8.210 nan 0.000 0.405 304 D N 0.567 120.990 120.400 0.039 0.000 2.123 304 D HA -0.201 4.438 4.640 -0.001 0.000 0.196 304 D C 2.219 178.527 176.300 0.013 0.000 0.992 304 D CA 1.150 55.183 54.000 0.055 0.000 0.833 304 D CB -0.315 40.486 40.800 0.000 0.000 0.954 304 D HN 0.443 nan 8.370 nan 0.000 0.455 305 R N 0.894 121.311 120.500 -0.138 0.000 2.237 305 R HA -0.024 4.315 4.340 -0.001 0.000 0.219 305 R C 2.009 178.007 176.300 -0.503 0.000 1.080 305 R CA 0.551 56.461 56.100 -0.317 0.000 0.995 305 R CB -0.522 29.514 30.300 -0.441 0.000 0.875 305 R HN 0.212 nan 8.270 nan 0.000 0.462 306 L N -0.024 120.991 121.223 -0.346 0.000 2.131 306 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 306 L C 1.517 178.237 176.870 -0.250 0.000 1.092 306 L CA 1.281 55.951 54.840 -0.283 0.000 0.759 306 L CB -0.335 41.586 42.059 -0.231 0.000 0.903 306 L HN 0.158 nan 8.230 nan 0.000 0.435 307 F N -0.437 119.435 119.950 -0.131 0.000 2.811 307 F HA 0.047 4.576 4.527 0.002 0.000 0.301 307 F C 1.522 177.188 175.800 -0.224 0.000 1.151 307 F CA -0.109 57.800 58.000 -0.151 0.000 1.412 307 F CB -0.147 38.779 39.000 -0.123 0.000 1.113 307 F HN -0.146 nan 8.300 nan 0.000 0.579 308 S N 0.156 115.845 115.700 -0.019 0.000 2.537 308 S HA 0.007 4.477 4.470 -0.001 0.000 0.286 308 S C -0.367 174.213 174.600 -0.033 0.000 1.299 308 S CA -0.343 57.856 58.200 -0.000 0.000 1.067 308 S CB -0.216 63.033 63.200 0.081 0.000 0.864 308 S HN 0.115 nan 8.310 nan 0.000 0.494 309 Y N 2.378 122.712 120.300 0.057 0.000 2.717 309 Y HA -0.001 4.548 4.550 -0.002 0.000 0.330 309 Y C 2.072 178.074 175.900 0.169 0.000 1.217 309 Y CA 1.341 59.416 58.100 -0.040 0.000 1.506 309 Y CB 0.103 38.498 38.460 -0.107 0.000 1.268 309 Y HN 1.076 nan 8.280 nan 0.000 0.561 310 T N -0.637 114.176 114.554 0.432 0.000 8.650 310 T HA -0.372 3.977 4.350 -0.001 0.000 0.321 310 T C 0.010 174.859 174.700 0.248 0.000 2.013 310 T CA 0.784 63.117 62.100 0.390 0.000 3.192 310 T CB -2.448 66.632 68.868 0.353 0.000 2.061 310 T HN 0.649 nan 8.240 nan 0.000 1.035 311 Y N 2.866 123.237 120.300 0.118 0.000 2.650 311 Y HA 0.484 5.034 4.550 -0.000 0.000 0.331 311 Y C 0.412 176.335 175.900 0.039 0.000 1.165 311 Y CA 0.939 59.077 58.100 0.063 0.000 1.473 311 Y CB 0.441 38.919 38.460 0.030 0.000 1.224 311 Y HN 0.584 nan 8.280 nan 0.000 0.533 312 S N 3.339 118.699 115.700 -0.566 0.000 2.533 312 S HA 0.249 4.718 4.470 -0.001 0.000 0.271 312 S C 0.218 174.536 174.600 -0.469 0.000 1.143 312 S CA -0.191 57.787 58.200 -0.370 0.000 0.891 312 S CB 1.012 64.120 63.200 -0.154 0.000 1.105 312 S HN 0.788 nan 8.310 nan 0.000 0.468 313 T N 1.101 115.480 114.554 -0.293 0.000 3.144 313 T HA 0.570 4.919 4.350 -0.001 0.000 0.249 313 T C 0.631 175.263 174.700 -0.114 0.000 1.089 313 T CA 0.277 62.263 62.100 -0.191 0.000 0.989 313 T CB 0.004 68.820 68.868 -0.086 0.000 0.992 313 T HN 0.786 nan 8.240 nan 0.000 0.540 314 A N 2.450 125.199 122.820 -0.118 0.000 2.269 314 A HA 0.843 5.162 4.320 -0.001 0.000 0.327 314 A C -2.352 175.166 177.584 -0.110 0.000 1.112 314 A CA -1.855 50.130 52.037 -0.087 0.000 0.865 314 A CB 0.652 19.599 19.000 -0.090 0.000 1.227 314 A HN 0.315 nan 8.150 nan 0.000 0.498 315 P HA 0.707 nan 4.420 nan 0.000 0.284 315 P C -0.229 176.976 177.300 -0.158 0.000 1.287 315 P CA 0.007 63.048 63.100 -0.097 0.000 0.824 315 P CB 1.676 33.343 31.700 -0.055 0.000 1.180 326 P HA 0.376 nan 4.420 nan 0.000 0.274 326 P C 0.713 177.628 177.300 -0.641 0.000 1.246 326 P CA -0.471 61.924 63.100 -1.175 0.000 0.795 326 P CB 0.745 31.992 31.700 -0.755 0.000 1.006 327 L N -0.544 120.324 121.223 -0.592 0.000 2.179 327 L HA 0.116 4.455 4.340 -0.001 0.000 0.208 327 L C 1.341 178.087 176.870 -0.206 0.000 1.096 327 L CA 1.059 55.734 54.840 -0.275 0.000 0.779 327 L CB -0.599 41.381 42.059 -0.131 0.000 0.922 327 L HN 0.415 nan 8.230 nan 0.000 0.443 328 A N -1.219 121.468 122.820 -0.221 0.000 2.435 328 A HA 0.712 5.032 4.320 -0.001 0.000 0.296 328 A C 0.464 177.901 177.584 -0.246 0.000 1.147 328 A CA 0.299 52.238 52.037 -0.164 0.000 0.775 328 A CB 1.796 20.733 19.000 -0.104 0.000 1.340 328 A HN 0.198 nan 8.150 nan 0.000 0.427 329 G N -1.667 106.993 108.800 -0.233 0.000 3.511 329 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.218 329 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.218 329 G C 0.585 175.298 174.900 -0.312 0.000 1.001 329 G CA 0.394 45.282 45.100 -0.353 0.000 0.877 329 G HN 0.535 nan 8.290 nan 0.000 0.450 330 F N 1.651 121.602 119.950 0.003 0.000 2.664 330 F HA 0.370 4.897 4.527 -0.001 0.000 0.296 330 F C 2.160 178.053 175.800 0.155 0.000 1.125 330 F CA 1.004 59.028 58.000 0.040 0.000 1.444 330 F CB 0.666 39.659 39.000 -0.011 0.000 1.114 330 F HN 0.503 nan 8.300 nan 0.000 0.576 331 G N -0.307 108.662 108.800 0.282 0.000 2.160 331 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.251 331 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.251 331 G C 0.274 175.414 174.900 0.400 0.000 1.008 331 G CA 0.341 45.608 45.100 0.278 0.000 0.724 331 G HN 0.423 nan 8.290 nan 0.000 0.514 332 Y N -0.079 120.319 120.300 0.163 0.000 2.442 332 Y HA 0.334 4.884 4.550 0.000 0.000 0.250 332 Y C 2.594 178.563 175.900 0.115 0.000 1.113 332 Y CA 0.514 58.714 58.100 0.167 0.000 1.273 332 Y CB -0.019 38.549 38.460 0.181 0.000 1.138 332 Y HN 0.210 nan 8.280 nan 0.000 0.522 333 G N 0.660 109.583 108.800 0.204 0.000 2.514 333 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 333 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 333 G C 1.701 176.634 174.900 0.055 0.000 1.198 333 G CA 1.329 46.496 45.100 0.112 0.000 0.780 333 G HN 0.337 nan 8.290 nan 0.000 0.565 334 L N 1.265 122.440 121.223 -0.080 0.000 2.005 334 L HA -0.041 4.299 4.340 -0.001 0.000 0.207 334 L C 0.322 177.182 176.870 -0.016 0.000 1.072 334 L CA 1.336 56.054 54.840 -0.202 0.000 0.744 334 L CB -1.110 40.531 42.059 -0.695 0.000 0.895 334 L HN 0.228 nan 8.230 nan 0.000 0.433 335 P HA -0.162 nan 4.420 nan 0.000 0.216 335 P C 1.839 179.154 177.300 0.025 0.000 1.153 335 P CA 1.444 64.474 63.100 -0.117 0.000 0.848 335 P CB -0.053 31.123 31.700 -0.872 0.000 0.787 336 I N 0.102 120.718 120.570 0.076 0.000 2.179 336 I HA -0.150 4.019 4.170 -0.001 0.000 0.242 336 I C 2.301 178.541 176.117 0.205 0.000 1.088 336 I CA 1.524 62.896 61.300 0.120 0.000 1.357 336 I CB -1.794 36.316 38.000 0.183 0.000 1.051 336 I HN -0.030 nan 8.210 nan 0.000 0.409 337 S N 0.406 116.306 115.700 0.334 0.000 2.383 337 S HA -0.208 4.261 4.470 -0.001 0.000 0.229 337 S C 2.095 176.887 174.600 0.319 0.000 1.030 337 S CA 1.318 59.764 58.200 0.411 0.000 1.002 337 S CB -0.351 63.020 63.200 0.285 0.000 0.829 337 S HN 0.421 nan 8.310 nan 0.000 0.467 338 R N 1.097 121.753 120.500 0.261 0.000 2.090 338 R HA 0.046 4.385 4.340 -0.001 0.000 0.228 338 R C 2.088 178.484 176.300 0.160 0.000 1.110 338 R CA 0.876 57.113 56.100 0.230 0.000 0.973 338 R CB -0.359 30.087 30.300 0.244 0.000 0.869 338 R HN 0.346 nan 8.270 nan 0.000 0.440 339 L N -0.176 121.102 121.223 0.092 0.000 2.012 339 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 339 L C 2.299 179.172 176.870 0.005 0.000 1.073 339 L CA 1.688 56.527 54.840 -0.001 0.000 0.748 339 L CB -0.799 41.186 42.059 -0.123 0.000 0.891 339 L HN 0.246 nan 8.230 nan 0.000 0.431 340 Y N -0.002 120.337 120.300 0.065 0.000 2.128 340 Y HA -0.320 4.229 4.550 -0.003 0.000 0.284 340 Y C 2.718 178.788 175.900 0.283 0.000 1.154 340 Y CA 1.121 59.279 58.100 0.095 0.000 1.149 340 Y CB -0.389 38.111 38.460 0.066 0.000 0.976 340 Y HN 0.179 nan 8.280 nan 0.000 0.505 341 A N 0.276 123.345 122.820 0.416 0.000 1.877 341 A HA -0.220 4.099 4.320 -0.001 0.000 0.216 341 A C 2.059 179.839 177.584 0.327 0.000 1.186 341 A CA 1.938 54.193 52.037 0.363 0.000 0.620 341 A CB -0.486 18.675 19.000 0.269 0.000 0.822 341 A HN 0.411 nan 8.150 nan 0.000 0.443 342 K N -1.780 118.767 120.400 0.244 0.000 2.288 342 K HA -0.072 4.247 4.320 -0.001 0.000 0.201 342 K C 1.797 178.511 176.600 0.191 0.000 1.048 342 K CA 0.996 57.393 56.287 0.184 0.000 0.956 342 K CB -0.247 32.319 32.500 0.111 0.000 0.746 342 K HN 0.597 nan 8.250 nan 0.000 0.461 343 Y N 0.619 120.952 120.300 0.055 0.000 2.207 343 Y HA -0.173 4.381 4.550 0.006 0.000 0.287 343 Y C 0.763 176.571 175.900 -0.153 0.000 1.156 343 Y CA 1.323 59.355 58.100 -0.115 0.000 1.182 343 Y CB -0.166 38.171 38.460 -0.205 0.000 0.979 343 Y HN -0.075 nan 8.280 nan 0.000 0.521 344 F N 1.705 121.674 119.950 0.032 0.000 2.837 344 F HA 0.189 4.712 4.527 -0.007 0.000 0.298 344 F C 0.367 176.197 175.800 0.051 0.000 1.161 344 F CA -0.271 57.685 58.000 -0.073 0.000 1.353 344 F CB 0.021 39.014 39.000 -0.013 0.000 0.951 344 F HN -0.010 nan 8.300 nan 0.000 0.508 345 Q N -1.000 118.916 119.800 0.192 0.000 2.489 345 Q HA -0.159 4.181 4.340 -0.001 0.000 0.259 345 Q C 0.613 176.706 176.000 0.156 0.000 0.934 345 Q CA 0.689 56.577 55.803 0.141 0.000 1.131 345 Q CB -2.048 26.753 28.738 0.106 0.000 1.472 345 Q HN 0.644 nan 8.270 nan 0.000 0.560 346 G N -0.294 108.638 108.800 0.220 0.000 2.531 346 G HA2 0.496 4.455 3.960 -0.001 0.000 0.253 346 G HA3 0.496 4.455 3.960 -0.001 0.000 0.253 346 G C -0.396 174.617 174.900 0.189 0.000 1.439 346 G CA 0.463 45.693 45.100 0.215 0.000 1.056 346 G HN 0.147 nan 8.290 nan 0.000 0.555 347 D N -2.436 118.113 120.400 0.249 0.000 2.671 347 D HA 0.464 5.104 4.640 -0.001 0.000 0.273 347 D C -1.716 174.772 176.300 0.312 0.000 1.264 347 D CA -0.468 53.667 54.000 0.225 0.000 0.788 347 D CB 1.763 42.642 40.800 0.130 0.000 1.324 347 D HN 0.343 nan 8.370 nan 0.000 0.424 348 L N 1.998 123.363 121.223 0.237 0.000 2.516 348 L HA 0.550 4.889 4.340 -0.001 0.000 0.267 348 L C -1.611 175.377 176.870 0.197 0.000 0.957 348 L CA -0.521 54.452 54.840 0.223 0.000 0.860 348 L CB 1.364 43.559 42.059 0.226 0.000 1.265 348 L HN 0.284 nan 8.230 nan 0.000 0.403 349 N N 3.971 122.815 118.700 0.240 0.000 2.312 349 N HA 0.608 5.348 4.740 -0.001 0.000 0.296 349 N C -1.774 173.928 175.510 0.319 0.000 1.193 349 N CA -0.560 52.633 53.050 0.238 0.000 0.773 349 N CB 2.853 41.483 38.487 0.238 0.000 1.435 349 N HN 0.319 nan 8.380 nan 0.000 0.484 350 L N 1.853 123.294 121.223 0.363 0.000 2.362 350 L HA 0.496 4.835 4.340 -0.001 0.000 0.275 350 L C -1.370 175.697 176.870 0.328 0.000 0.998 350 L CA -0.744 54.266 54.840 0.284 0.000 0.820 350 L CB 0.810 43.029 42.059 0.267 0.000 1.270 350 L HN 0.510 nan 8.230 nan 0.000 0.415 351 Y N 1.307 121.652 120.300 0.075 0.000 2.406 351 Y HA 0.832 5.383 4.550 0.001 0.000 0.340 351 Y C -0.455 175.473 175.900 0.046 0.000 0.975 351 Y CA -0.923 57.211 58.100 0.057 0.000 1.056 351 Y CB 1.889 40.379 38.460 0.050 0.000 1.210 351 Y HN 0.510 nan 8.280 nan 0.000 0.448 352 S N 3.100 118.871 115.700 0.118 0.000 2.568 352 S HA 0.729 5.199 4.470 -0.001 0.000 0.293 352 S C -1.662 172.979 174.600 0.069 0.000 1.089 352 S CA -0.666 57.552 58.200 0.029 0.000 0.945 352 S CB 1.113 64.321 63.200 0.015 0.000 1.077 352 S HN 0.642 nan 8.310 nan 0.000 0.485 353 L N 3.421 124.683 121.223 0.066 0.000 2.313 353 L HA 0.439 4.779 4.340 -0.001 0.000 0.273 353 L C 0.387 177.304 176.870 0.079 0.000 1.028 353 L CA -0.005 54.891 54.840 0.094 0.000 0.871 353 L CB 1.079 43.227 42.059 0.147 0.000 1.242 353 L HN 0.669 nan 8.230 nan 0.000 0.434 354 S N 2.088 117.817 115.700 0.048 0.000 2.525 354 S HA 0.428 4.897 4.470 -0.001 0.000 0.285 354 S C 1.300 175.925 174.600 0.040 0.000 1.283 354 S CA 0.759 58.974 58.200 0.025 0.000 1.072 354 S CB 0.159 63.372 63.200 0.022 0.000 0.867 354 S HN 1.069 nan 8.310 nan 0.000 0.492 355 G N 3.663 112.474 108.800 0.018 0.000 2.213 355 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.226 355 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.226 355 G C 0.225 175.191 174.900 0.110 0.000 0.992 355 G CA 0.523 45.659 45.100 0.059 0.000 0.632 355 G HN 0.900 nan 8.290 nan 0.000 0.511 356 Y N 0.366 120.619 120.300 -0.079 0.000 3.116 356 Y HA 0.516 5.066 4.550 -0.002 0.000 0.220 356 Y C 1.189 177.022 175.900 -0.112 0.000 0.965 356 Y CA 1.764 59.831 58.100 -0.055 0.000 1.476 356 Y CB 0.721 39.170 38.460 -0.019 0.000 1.493 356 Y HN 0.948 nan 8.280 nan 0.000 0.423 357 G N -0.526 108.211 108.800 -0.106 0.000 2.430 357 G HA2 0.460 4.419 3.960 -0.001 0.000 0.300 357 G HA3 0.460 4.419 3.960 -0.001 0.000 0.300 357 G C -1.661 173.180 174.900 -0.098 0.000 1.330 357 G CA -0.335 44.626 45.100 -0.231 0.000 0.813 357 G HN 0.051 nan 8.290 nan 0.000 0.487 358 T N 0.920 115.394 114.554 -0.133 0.000 2.912 358 T HA 0.612 4.962 4.350 -0.001 0.000 0.299 358 T C -1.724 172.849 174.700 -0.211 0.000 1.052 358 T CA -0.576 61.438 62.100 -0.144 0.000 0.996 358 T CB 1.954 70.751 68.868 -0.117 0.000 1.070 358 T HN 0.392 nan 8.240 nan 0.000 0.465 359 D N 1.897 122.058 120.400 -0.399 0.000 2.256 359 D HA 0.608 5.248 4.640 -0.001 0.000 0.240 359 D C -0.563 175.515 176.300 -0.370 0.000 1.062 359 D CA -0.276 53.415 54.000 -0.515 0.000 0.832 359 D CB 1.763 41.901 40.800 -1.104 0.000 1.135 359 D HN 0.660 nan 8.370 nan 0.000 0.484 360 A N 2.726 125.436 122.820 -0.183 0.000 2.330 360 A HA 0.718 5.038 4.320 -0.001 0.000 0.327 360 A C -0.573 176.973 177.584 -0.062 0.000 1.155 360 A CA -0.716 51.277 52.037 -0.074 0.000 0.803 360 A CB 0.799 19.755 19.000 -0.074 0.000 1.208 360 A HN 0.623 nan 8.150 nan 0.000 0.477 361 I N 2.718 123.281 120.570 -0.012 0.000 2.499 361 I HA 0.567 4.736 4.170 -0.001 0.000 0.288 361 I C -1.401 174.575 176.117 -0.235 0.000 1.048 361 I CA -0.927 60.289 61.300 -0.138 0.000 1.062 361 I CB 1.310 39.243 38.000 -0.110 0.000 1.238 361 I HN 0.603 nan 8.210 nan 0.000 0.426 362 I N 7.543 127.939 120.570 -0.289 0.000 2.412 362 I HA 0.348 4.517 4.170 -0.001 0.000 0.296 362 I C -1.293 174.627 176.117 -0.329 0.000 0.987 362 I CA -0.567 60.618 61.300 -0.193 0.000 1.180 362 I CB 1.395 39.339 38.000 -0.094 0.000 1.340 362 I HN 0.449 nan 8.210 nan 0.000 0.455 363 Y N 6.088 126.410 120.300 0.036 0.000 2.376 363 Y HA 0.673 5.229 4.550 0.010 0.000 0.340 363 Y C -0.410 175.504 175.900 0.023 0.000 0.965 363 Y CA -0.783 57.330 58.100 0.023 0.000 1.078 363 Y CB 1.561 40.041 38.460 0.033 0.000 1.193 363 Y HN 0.247 nan 8.280 nan 0.000 0.452 364 L N 3.398 124.704 121.223 0.138 0.000 2.370 364 L HA 0.547 4.887 4.340 -0.001 0.000 0.266 364 L C -0.627 176.302 176.870 0.099 0.000 1.002 364 L CA -1.528 53.355 54.840 0.071 0.000 0.818 364 L CB 1.679 43.632 42.059 -0.176 0.000 1.325 364 L HN 0.415 nan 8.230 nan 0.000 0.418 365 K N 1.335 121.813 120.400 0.131 0.000 2.412 365 K HA 0.157 4.476 4.320 -0.001 0.000 0.281 365 K C 0.703 177.352 176.600 0.082 0.000 1.027 365 K CA 0.028 56.375 56.287 0.100 0.000 0.989 365 K CB 1.415 33.977 32.500 0.104 0.000 0.935 365 K HN 0.798 nan 8.250 nan 0.000 0.475 366 A N 4.202 127.060 122.820 0.062 0.000 2.167 366 A HA 0.048 4.368 4.320 -0.001 0.000 0.214 366 A C 0.684 178.307 177.584 0.066 0.000 1.151 366 A CA 0.643 52.718 52.037 0.063 0.000 0.735 366 A CB -0.013 19.018 19.000 0.053 0.000 0.802 366 A HN 0.566 nan 8.150 nan 0.000 0.467 367 L N 0.135 121.389 121.223 0.052 0.000 2.322 367 L HA 0.237 4.576 4.340 -0.001 0.000 0.281 367 L C 1.585 178.464 176.870 0.015 0.000 1.014 367 L CA -0.139 54.724 54.840 0.038 0.000 0.815 367 L CB 1.905 43.984 42.059 0.033 0.000 1.247 367 L HN 0.345 nan 8.230 nan 0.000 0.421 368 S N 0.092 115.789 115.700 -0.004 0.000 2.399 368 S HA -0.183 4.286 4.470 -0.001 0.000 0.231 368 S C 1.805 176.378 174.600 -0.045 0.000 1.022 368 S CA 1.259 59.428 58.200 -0.051 0.000 0.983 368 S CB -0.316 62.850 63.200 -0.056 0.000 0.803 368 S HN 0.791 nan 8.310 nan 0.000 0.480 369 S N 1.847 117.539 115.700 -0.013 0.000 2.447 369 S HA -0.024 4.446 4.470 -0.001 0.000 0.233 369 S C 1.535 176.139 174.600 0.007 0.000 1.006 369 S CA 0.899 59.098 58.200 -0.001 0.000 0.957 369 S CB -0.498 62.707 63.200 0.009 0.000 0.773 369 S HN 0.735 nan 8.310 nan 0.000 0.507 370 E N 1.206 121.413 120.200 0.011 0.000 2.472 370 E HA 0.162 4.512 4.350 -0.001 0.000 0.196 370 E C -0.237 176.389 176.600 0.042 0.000 1.033 370 E CA -0.049 56.367 56.400 0.027 0.000 0.886 370 E CB 0.276 29.994 29.700 0.031 0.000 0.944 370 E HN 0.354 nan 8.360 nan 0.000 0.492 371 S N 1.843 117.551 115.700 0.013 0.000 3.036 371 S HA 0.257 4.727 4.470 -0.001 0.000 0.301 371 S C 0.014 174.674 174.600 0.099 0.000 1.205 371 S CA 0.058 58.271 58.200 0.021 0.000 0.999 371 S CB -0.176 62.904 63.200 -0.202 0.000 1.337 371 S HN 0.131 nan 8.310 nan 0.000 0.515 372 I N 1.892 122.570 120.570 0.179 0.000 2.441 372 I HA 0.258 4.428 4.170 -0.001 0.000 0.295 372 I C 0.424 176.605 176.117 0.107 0.000 0.994 372 I CA -0.813 60.576 61.300 0.149 0.000 1.144 372 I CB 1.649 39.694 38.000 0.074 0.000 1.314 372 I HN 0.354 nan 8.210 nan 0.000 0.445 373 E N 4.996 125.186 120.200 -0.018 0.000 2.414 373 E HA 0.005 4.355 4.350 -0.001 0.000 0.263 373 E C -0.309 176.220 176.600 -0.119 0.000 1.000 373 E CA 0.123 56.318 56.400 -0.343 0.000 0.914 373 E CB 0.751 30.327 29.700 -0.206 0.000 0.948 373 E HN 0.291 nan 8.360 nan 0.000 0.444 374 K N 4.969 125.305 120.400 -0.106 0.000 2.292 374 K HA 0.265 4.584 4.320 -0.001 0.000 0.270 374 K C -1.188 175.441 176.600 0.049 0.000 1.062 374 K CA -0.285 56.006 56.287 0.008 0.000 0.916 374 K CB 0.198 32.714 32.500 0.027 0.000 1.166 374 K HN 0.423 nan 8.250 nan 0.000 0.458 375 L N 5.741 126.990 121.223 0.043 0.000 2.346 375 L HA 0.532 4.872 4.340 -0.001 0.000 0.276 375 L C -1.979 174.906 176.870 0.025 0.000 1.006 375 L CA -2.318 52.549 54.840 0.046 0.000 0.817 375 L CB 1.699 43.795 42.059 0.061 0.000 1.272 375 L HN 0.603 nan 8.230 nan 0.000 0.421 376 P HA 0.299 nan 4.420 nan 0.000 0.275 376 P C -1.031 176.305 177.300 0.059 0.000 1.228 376 P CA -0.289 62.812 63.100 0.003 0.000 0.786 376 P CB 1.579 33.252 31.700 -0.046 0.000 0.927 377 V N 2.621 122.592 119.914 0.096 0.000 2.789 377 V HA 0.303 4.423 4.120 -0.001 0.000 0.311 377 V C -0.672 175.546 176.094 0.207 0.000 1.073 377 V CA -0.626 61.756 62.300 0.137 0.000 0.921 377 V CB 1.944 33.826 31.823 0.097 0.000 1.009 377 V HN 0.451 nan 8.190 nan 0.000 0.426 378 F N 6.442 126.461 119.950 0.114 0.000 2.335 378 F HA 0.616 5.143 4.527 -0.001 0.000 0.365 378 F C 0.147 176.027 175.800 0.133 0.000 1.122 378 F CA -0.419 57.673 58.000 0.153 0.000 1.151 378 F CB 0.127 39.221 39.000 0.155 0.000 1.282 378 F HN 0.774 nan 8.300 nan 0.000 0.513 379 N N 3.318 121.807 118.700 -0.352 0.000 3.102 379 N HA 0.332 5.072 4.740 -0.001 0.000 0.299 379 N C 0.180 175.492 175.510 -0.330 0.000 1.482 379 N CA -0.909 51.974 53.050 -0.279 0.000 0.785 379 N CB 0.772 39.209 38.487 -0.082 0.000 1.680 379 N HN 0.242 nan 8.380 nan 0.000 0.594 380 K N -0.490 119.793 120.400 -0.194 0.000 2.148 380 K HA -0.100 4.220 4.320 -0.001 0.000 0.204 380 K C 1.486 178.093 176.600 0.013 0.000 1.050 380 K CA 1.368 57.572 56.287 -0.138 0.000 0.942 380 K CB -0.197 32.222 32.500 -0.135 0.000 0.724 380 K HN 0.579 nan 8.250 nan 0.000 0.446 381 S N 0.680 116.388 115.700 0.014 0.000 2.402 381 S HA -0.102 4.367 4.470 -0.001 0.000 0.229 381 S C 2.027 176.714 174.600 0.146 0.000 1.021 381 S CA 1.098 59.344 58.200 0.076 0.000 0.974 381 S CB -0.031 63.203 63.200 0.056 0.000 0.800 381 S HN 0.328 nan 8.310 nan 0.000 0.484 382 A N 0.633 123.540 122.820 0.145 0.000 1.897 382 A HA 0.089 4.409 4.320 -0.001 0.000 0.215 382 A C 1.971 179.804 177.584 0.414 0.000 1.181 382 A CA 1.264 53.471 52.037 0.285 0.000 0.620 382 A CB -1.133 18.038 19.000 0.285 0.000 0.821 382 A HN 0.685 nan 8.150 nan 0.000 0.443 383 F N 0.949 120.990 119.950 0.152 0.000 2.069 383 F HA -0.217 4.309 4.527 -0.002 0.000 0.298 383 F C 2.235 178.162 175.800 0.212 0.000 1.113 383 F CA 2.219 60.364 58.000 0.243 0.000 1.214 383 F CB -0.078 38.942 39.000 0.032 0.000 0.978 383 F HN 0.071 nan 8.300 nan 0.000 0.474 384 K N -0.847 119.811 120.400 0.430 0.000 2.173 384 K HA -0.309 4.010 4.320 -0.001 0.000 0.207 384 K C 1.879 178.510 176.600 0.052 0.000 1.046 384 K CA 1.972 58.396 56.287 0.228 0.000 0.929 384 K CB -0.645 31.944 32.500 0.149 0.000 0.720 384 K HN 0.502 nan 8.250 nan 0.000 0.453 385 H N -0.940 118.090 119.070 -0.066 0.000 2.502 385 H HA -0.009 4.546 4.556 -0.001 0.000 0.283 385 H C 0.215 175.286 175.328 -0.428 0.000 1.015 385 H CA 0.666 56.513 56.048 -0.336 0.000 1.298 385 H CB 0.231 29.625 29.762 -0.612 0.000 1.411 385 H HN 0.042 nan 8.280 nan 0.000 0.556 394 D N 0.082 120.512 120.400 0.050 0.000 2.269 394 D HA -0.066 4.574 4.640 -0.001 0.000 0.208 394 D C 0.158 176.371 176.300 -0.144 0.000 0.963 394 D CA 0.787 54.771 54.000 -0.026 0.000 0.864 394 D CB 0.093 40.893 40.800 -0.001 0.000 0.936 394 D HN 0.229 nan 8.370 nan 0.000 0.505 395 W N -0.053 121.242 121.300 -0.009 0.000 2.819 395 W HA 0.401 5.060 4.660 -0.001 0.000 0.337 395 W C -0.289 176.226 176.519 -0.006 0.000 1.077 395 W CA -1.076 56.264 57.345 -0.007 0.000 1.226 395 W CB 1.329 30.785 29.460 -0.008 0.000 1.419 395 W HN -0.246 nan 8.180 nan 0.000 0.502 396 C N 5.230 124.658 119.300 0.213 0.000 2.633 396 C HA 0.161 4.621 4.460 -0.001 0.000 0.415 396 C C 1.536 176.603 174.990 0.129 0.000 1.393 396 C CA -0.831 58.264 59.018 0.128 0.000 1.700 396 C CB -2.086 25.709 27.740 0.092 0.000 2.541 396 C HN 0.589 nan 8.230 nan 0.000 0.603 397 I N 0.000 120.621 120.570 0.085 0.000 2.984 397 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 397 I CA 0.000 61.337 61.300 0.061 0.000 1.566 397 I CB 0.000 38.025 38.000 0.042 0.000 1.214 397 I HN 0.000 nan 8.210 nan 0.000 0.494