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 1av6_1_A DATA FIRST_RESID 3 DATA SEQUENCE VVSLDKPFMY FEEIDNELDY EPESANEVAK KLPYQGQLKL LLGELFFLSK DATA SEQUENCE LQRHGILDGA TVVYIGSAPG THIRYLRDHF YNLGVIIKWM LIDGRHHDPI DATA SEQUENCE LNGLRDVTLV TRFVDEEYLR SIKKQLHPSK IILISDVRSX XXXXXPSTAD DATA SEQUENCE LLSNYALQNV MISILNPVAS SLKWRCPFPD QWIKDFYIPH GNKMLQPFAP DATA SEQUENCE SYSAEMRLLS IYTGENMRLT RVTKSDAVNY EKKMYYLNKI VRNKVVVNFD DATA SEQUENCE YPNQEYDYFH MYFMLRTVYC NKTFPTTKAK VLFLQQSIFR FLNIP 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.062 176.094 -0.054 0.000 1.182 3 V CA 0.000 62.276 62.300 -0.040 0.000 1.235 3 V CB 0.000 31.803 31.823 -0.033 0.000 1.184 4 V N -1.239 118.632 119.914 -0.072 0.000 3.278 4 V HA 0.458 nan 4.120 nan 0.000 0.288 4 V C -2.720 173.305 176.094 -0.115 0.000 1.514 4 V CA -0.071 62.176 62.300 -0.087 0.000 1.051 4 V CB 4.361 36.123 31.823 -0.103 0.000 1.163 4 V HN 0.523 8.667 8.190 -0.077 0.000 0.458 5 S N 3.238 118.875 115.700 -0.106 0.000 2.498 5 S HA 0.806 nan 4.470 nan 0.000 0.317 5 S C -1.429 173.093 174.600 -0.129 0.000 1.090 5 S CA -0.882 57.248 58.200 -0.117 0.000 1.089 5 S CB 0.879 64.039 63.200 -0.067 0.000 0.997 5 S HN 0.095 8.355 8.310 -0.084 0.000 0.470 6 L N 5.455 126.566 121.223 -0.186 0.000 2.388 6 L HA 0.319 nan 4.340 nan 0.000 0.264 6 L C -0.910 175.955 176.870 -0.009 0.000 0.998 6 L CA -0.625 54.141 54.840 -0.124 0.000 0.817 6 L CB 3.032 45.010 42.059 -0.136 0.000 1.338 6 L HN 0.350 8.676 8.230 -0.265 -0.255 0.414 7 D N 0.724 121.145 120.400 0.036 0.000 2.120 7 D HA -0.119 nan 4.640 nan 0.000 0.202 7 D C -0.644 175.764 176.300 0.181 0.000 0.972 7 D CA 1.913 55.975 54.000 0.104 0.000 0.837 7 D CB 0.601 41.434 40.800 0.054 0.000 0.989 7 D HN 0.059 8.418 8.370 -0.018 0.000 0.469 8 K N -1.462 118.935 120.400 -0.005 0.000 2.562 8 K HA 0.230 nan 4.320 nan 0.000 0.267 8 K C -3.048 173.187 176.600 -0.609 0.000 0.938 8 K CA -2.760 53.244 56.287 -0.471 0.000 0.840 8 K CB 2.474 34.808 32.500 -0.277 0.000 1.390 8 K HN -0.546 7.672 8.250 -0.054 0.000 0.428 9 P HA 0.163 nan 4.420 nan 0.000 0.274 9 P C -0.814 176.109 177.300 -0.629 0.000 1.246 9 P CA -0.679 61.948 63.100 -0.789 0.000 0.795 9 P CB 0.643 31.554 31.700 -1.316 0.000 1.006 10 F N 0.330 120.134 119.950 -0.243 0.000 2.506 10 F HA -0.111 nan 4.527 nan 0.000 0.369 10 F C 0.691 176.295 175.800 -0.326 0.000 1.114 10 F CA 0.560 58.447 58.000 -0.188 0.000 1.121 10 F CB -1.099 37.859 39.000 -0.071 0.000 1.104 10 F HN 0.135 8.257 8.300 -0.296 0.000 0.564 11 M N 1.857 121.425 119.600 -0.053 0.000 2.191 11 M HA -0.159 nan 4.480 nan 0.000 0.262 11 M C -0.584 175.600 176.300 -0.193 0.000 1.083 11 M CA 1.750 56.976 55.300 -0.123 0.000 1.154 11 M CB 0.662 33.252 32.600 -0.017 0.000 1.344 11 M HN -0.165 8.266 8.290 0.020 -0.129 0.431 12 Y N -4.257 116.137 120.300 0.156 0.000 2.377 12 Y HA 0.193 nan 4.550 nan 0.000 0.339 12 Y C 1.075 177.096 175.900 0.201 0.000 1.011 12 Y CA -1.500 56.720 58.100 0.200 0.000 1.093 12 Y CB 1.297 39.871 38.460 0.189 0.000 1.201 12 Y HN -1.027 7.748 8.280 0.343 -0.289 0.455 13 F N 5.967 126.051 119.950 0.223 0.000 2.079 13 F HA -0.601 nan 4.527 nan 0.000 0.296 13 F C 1.195 177.059 175.800 0.106 0.000 1.084 13 F CA 4.993 63.088 58.000 0.159 0.000 1.236 13 F CB 0.362 39.503 39.000 0.235 0.000 0.984 13 F HN 0.163 8.757 8.300 0.489 0.000 0.488 14 E N -2.762 117.571 120.200 0.221 0.000 2.273 14 E HA -0.396 nan 4.350 nan 0.000 0.198 14 E C 2.092 178.652 176.600 -0.067 0.000 1.002 14 E CA 3.056 59.501 56.400 0.075 0.000 0.828 14 E CB -0.909 28.893 29.700 0.170 0.000 0.747 14 E HN 0.532 9.133 8.360 0.435 0.020 0.491 15 E N -2.416 117.765 120.200 -0.032 0.000 2.481 15 E HA -0.111 nan 4.350 nan 0.000 0.195 15 E C 0.349 176.788 176.600 -0.268 0.000 1.047 15 E CA 0.092 56.486 56.400 -0.010 0.000 0.867 15 E CB 0.316 30.137 29.700 0.201 0.000 0.858 15 E HN -0.229 7.995 8.360 0.054 0.168 0.513 16 I N 2.797 122.999 120.570 -0.614 0.000 2.576 16 I HA -0.280 nan 4.170 nan 0.000 0.288 16 I C -0.090 175.695 176.117 -0.553 0.000 1.126 16 I CA 1.383 62.090 61.300 -0.989 0.000 1.362 16 I CB -0.570 36.940 38.000 -0.817 0.000 1.419 16 I HN -0.185 7.528 8.210 -0.561 0.160 0.533 17 D N 4.860 125.021 120.400 -0.399 0.000 2.312 17 D HA -0.216 nan 4.640 nan 0.000 0.211 17 D C -0.719 175.430 176.300 -0.252 0.000 0.964 17 D CA 1.469 55.367 54.000 -0.170 0.000 0.877 17 D CB 0.118 40.932 40.800 0.023 0.000 0.924 17 D HN 0.378 8.418 8.370 -0.549 0.000 0.515 18 N N -3.428 115.014 118.700 -0.430 0.000 2.509 18 N HA 0.128 nan 4.740 nan 0.000 0.280 18 N C -2.419 172.710 175.510 -0.636 0.000 1.306 18 N CA -1.198 51.416 53.050 -0.728 0.000 0.782 18 N CB 3.545 41.215 38.487 -1.362 0.000 1.493 18 N HN -0.705 7.421 8.380 -0.356 0.041 0.498 19 E N -2.539 117.382 120.200 -0.464 0.000 2.367 19 E HA 0.358 nan 4.350 nan 0.000 0.273 19 E C -2.022 174.562 176.600 -0.026 0.000 0.903 19 E CA -1.568 54.751 56.400 -0.135 0.000 0.764 19 E CB 2.968 32.627 29.700 -0.069 0.000 1.252 19 E HN 0.009 8.095 8.360 -0.456 0.000 0.446 20 L N 1.223 122.559 121.223 0.188 0.000 2.505 20 L HA 0.224 nan 4.340 nan 0.000 0.266 20 L C -1.715 175.346 176.870 0.318 0.000 0.954 20 L CA -0.402 54.605 54.840 0.278 0.000 0.852 20 L CB 3.681 46.001 42.059 0.434 0.000 1.282 20 L HN 0.699 8.959 8.230 0.255 0.122 0.403 21 D N 5.469 125.963 120.400 0.157 0.000 2.450 21 D HA -0.162 nan 4.640 nan 0.000 0.247 21 D C -0.803 175.412 176.300 -0.141 0.000 1.162 21 D CA 0.164 54.193 54.000 0.048 0.000 0.879 21 D CB 0.515 41.318 40.800 0.005 0.000 1.163 21 D HN -0.066 8.378 8.370 0.123 0.000 0.472 22 Y N 2.682 122.727 120.300 -0.424 0.000 2.895 22 Y HA -0.279 nan 4.550 nan 0.000 0.334 22 Y C -1.152 174.267 175.900 -0.801 0.000 1.261 22 Y CA 1.196 58.712 58.100 -0.973 0.000 1.560 22 Y CB 0.772 38.920 38.460 -0.520 0.000 1.253 22 Y HN 0.052 8.342 8.280 0.016 0.000 0.582 23 E N 8.029 127.240 120.200 -1.649 0.000 2.092 23 E HA 0.367 nan 4.350 nan 0.000 0.271 23 E C -1.455 174.378 176.600 -1.278 0.000 0.919 23 E CA -3.832 52.002 56.400 -0.944 0.000 0.760 23 E CB 0.628 30.058 29.700 -0.450 0.000 1.106 23 E HN 0.251 7.030 8.360 -2.635 0.000 0.408 24 P HA -0.165 nan 4.420 nan 0.000 0.221 24 P C 1.022 178.085 177.300 -0.395 0.000 1.145 24 P CA 2.076 64.824 63.100 -0.586 0.000 0.795 24 P CB 0.160 31.741 31.700 -0.198 0.000 0.775 25 E N -1.313 118.679 120.200 -0.346 0.000 2.265 25 E HA -0.202 nan 4.350 nan 0.000 0.196 25 E C 2.467 178.917 176.600 -0.250 0.000 0.996 25 E CA 2.704 58.970 56.400 -0.224 0.000 0.832 25 E CB -1.130 28.469 29.700 -0.167 0.000 0.756 25 E HN 0.556 8.644 8.360 -0.376 0.046 0.491 26 S N 1.742 117.194 115.700 -0.414 0.000 2.372 26 S HA -0.378 nan 4.470 nan 0.000 0.227 26 S C 1.618 176.002 174.600 -0.361 0.000 1.044 26 S CA 3.739 61.589 58.200 -0.582 0.000 1.050 26 S CB -0.490 62.178 63.200 -0.886 0.000 0.901 26 S HN -0.233 7.600 8.310 -0.536 0.155 0.447 27 A N -0.421 122.288 122.820 -0.185 0.000 2.186 27 A HA -0.163 nan 4.320 nan 0.000 0.219 27 A C 1.162 178.746 177.584 -0.001 0.000 1.159 27 A CA 2.141 54.165 52.037 -0.021 0.000 0.680 27 A CB -0.835 18.175 19.000 0.017 0.000 0.787 27 A HN -0.448 7.561 8.150 -0.218 0.010 0.467 28 N N -3.586 115.091 118.700 -0.038 0.000 2.412 28 N HA -0.077 nan 4.740 nan 0.000 0.184 28 N C 0.048 175.573 175.510 0.025 0.000 1.101 28 N CA 0.338 53.383 53.050 -0.008 0.000 0.881 28 N CB 0.831 39.301 38.487 -0.029 0.000 0.969 28 N HN -0.337 7.804 8.380 -0.091 0.185 0.459 29 E N -0.068 120.165 120.200 0.055 0.000 2.318 29 E HA 0.035 nan 4.350 nan 0.000 0.265 29 E C -0.129 176.554 176.600 0.138 0.000 1.069 29 E CA -0.636 55.837 56.400 0.122 0.000 0.893 29 E CB 0.969 30.820 29.700 0.252 0.000 1.076 29 E HN -0.152 8.041 8.360 0.031 0.185 0.414 30 V N 1.238 121.220 119.914 0.113 0.000 2.655 30 V HA -0.032 nan 4.120 nan 0.000 0.300 30 V C -0.124 176.033 176.094 0.105 0.000 1.044 30 V CA 0.511 62.865 62.300 0.090 0.000 1.095 30 V CB 0.400 32.262 31.823 0.065 0.000 0.952 30 V HN 0.256 8.509 8.190 0.104 0.000 0.485 31 A N 4.483 127.357 122.820 0.090 0.000 2.229 31 A HA 0.276 nan 4.320 nan 0.000 0.211 31 A C -0.663 176.948 177.584 0.045 0.000 1.193 31 A CA 1.025 53.109 52.037 0.079 0.000 0.879 31 A CB 1.013 20.077 19.000 0.107 0.000 0.911 31 A HN 0.231 8.427 8.150 0.077 0.000 0.492 32 K N -1.103 119.324 120.400 0.045 0.000 2.483 32 K HA 0.171 nan 4.320 nan 0.000 0.256 32 K C -0.862 175.768 176.600 0.051 0.000 0.961 32 K CA -0.591 55.721 56.287 0.041 0.000 0.873 32 K CB 0.799 33.314 32.500 0.024 0.000 1.107 32 K HN -0.480 7.799 8.250 0.049 0.000 0.432 33 K N 4.494 124.936 120.400 0.070 0.000 2.284 33 K HA 0.147 nan 4.320 nan 0.000 0.198 33 K C 0.378 177.040 176.600 0.103 0.000 1.048 33 K CA 0.402 56.742 56.287 0.087 0.000 0.987 33 K CB 0.755 33.319 32.500 0.106 0.000 0.800 33 K HN 0.448 8.978 8.250 0.076 -0.235 0.486 34 L N -3.034 118.253 121.223 0.108 0.000 2.370 34 L HA 0.587 nan 4.340 nan 0.000 0.266 34 L C -2.504 174.398 176.870 0.054 0.000 1.002 34 L CA -3.098 51.800 54.840 0.097 0.000 0.818 34 L CB 0.161 42.301 42.059 0.135 0.000 1.325 34 L HN -0.311 8.298 8.230 0.106 -0.316 0.418 35 P HA -0.038 nan 4.420 nan 0.000 0.268 35 P C -1.524 175.859 177.300 0.140 0.000 1.205 35 P CA 0.576 63.727 63.100 0.085 0.000 0.771 35 P CB 0.313 32.096 31.700 0.138 0.000 0.858 36 Y N -2.916 117.341 120.300 -0.070 0.000 3.589 36 Y HA -0.462 nan 4.550 nan 0.000 0.218 36 Y C 0.921 176.751 175.900 -0.117 0.000 1.234 36 Y CA 0.723 58.770 58.100 -0.088 0.000 1.576 36 Y CB -2.812 35.578 38.460 -0.116 0.000 1.487 36 Y HN 0.329 8.504 8.280 -0.175 0.000 0.616 37 Q N 0.687 120.479 119.800 -0.013 0.000 2.050 37 Q HA -0.408 nan 4.340 nan 0.000 0.202 37 Q C 1.538 177.525 176.000 -0.021 0.000 0.980 37 Q CA 4.265 60.059 55.803 -0.015 0.000 0.840 37 Q CB -0.270 28.493 28.738 0.042 0.000 0.898 37 Q HN -0.512 7.718 8.270 -0.028 0.023 0.424 38 G N -1.636 107.153 108.800 -0.018 0.000 2.446 38 G HA2 -0.360 nan 3.960 nan 0.000 0.217 38 G HA3 -0.360 nan 3.960 nan 0.000 0.217 38 G C 1.436 176.313 174.900 -0.039 0.000 1.168 38 G CA 2.262 47.352 45.100 -0.016 0.000 0.771 38 G HN 0.592 8.864 8.290 -0.030 0.000 0.551 39 Q N 0.727 120.534 119.800 0.011 0.000 2.135 39 Q HA -0.192 nan 4.340 nan 0.000 0.204 39 Q C 2.670 178.604 176.000 -0.109 0.000 0.981 39 Q CA 2.631 58.459 55.803 0.042 0.000 0.856 39 Q CB -0.684 28.218 28.738 0.273 0.000 0.902 39 Q HN 0.126 8.417 8.270 0.036 0.000 0.425 40 L N 0.618 121.760 121.223 -0.134 0.000 2.027 40 L HA -0.282 nan 4.340 nan 0.000 0.206 40 L C 1.244 177.977 176.870 -0.228 0.000 1.074 40 L CA 2.919 57.601 54.840 -0.263 0.000 0.745 40 L CB -0.335 41.439 42.059 -0.474 0.000 0.898 40 L HN -0.174 7.919 8.230 -0.097 0.079 0.433 41 K N -0.768 119.545 120.400 -0.144 0.000 2.103 41 K HA -0.359 nan 4.320 nan 0.000 0.207 41 K C 2.605 179.142 176.600 -0.105 0.000 1.048 41 K CA 3.501 59.749 56.287 -0.065 0.000 0.930 41 K CB -0.153 32.346 32.500 -0.003 0.000 0.716 41 K HN 0.009 8.191 8.250 -0.113 0.000 0.444 42 L N -1.945 119.157 121.223 -0.202 0.000 2.072 42 L HA -0.291 nan 4.340 nan 0.000 0.205 42 L C 2.190 178.924 176.870 -0.225 0.000 1.079 42 L CA 2.615 57.288 54.840 -0.278 0.000 0.752 42 L CB -0.148 41.562 42.059 -0.581 0.000 0.906 42 L HN -0.072 8.012 8.230 -0.218 0.015 0.436 43 L N -0.421 120.643 121.223 -0.266 0.000 1.989 43 L HA -0.353 nan 4.340 nan 0.000 0.211 43 L C 1.673 178.580 176.870 0.061 0.000 1.071 43 L CA 3.271 58.125 54.840 0.023 0.000 0.749 43 L CB -0.574 41.476 42.059 -0.015 0.000 0.890 43 L HN -0.551 7.383 8.230 -0.364 0.077 0.431 44 L N -3.278 117.936 121.223 -0.015 0.000 2.042 44 L HA -0.447 nan 4.340 nan 0.000 0.210 44 L C 2.386 179.320 176.870 0.106 0.000 1.076 44 L CA 3.322 58.172 54.840 0.017 0.000 0.749 44 L CB -0.967 41.060 42.059 -0.053 0.000 0.893 44 L HN -0.125 8.055 8.230 -0.083 0.000 0.432 45 G N -2.478 106.376 108.800 0.089 0.000 2.402 45 G HA2 -0.335 nan 3.960 nan 0.000 0.216 45 G HA3 -0.335 nan 3.960 nan 0.000 0.216 45 G C 0.961 176.053 174.900 0.320 0.000 1.162 45 G CA 1.806 47.011 45.100 0.175 0.000 0.777 45 G HN -0.491 7.817 8.290 0.030 0.000 0.539 46 E N 2.769 123.136 120.200 0.279 0.000 2.072 46 E HA -0.311 nan 4.350 nan 0.000 0.191 46 E C 2.483 179.337 176.600 0.423 0.000 0.985 46 E CA 2.806 59.434 56.400 0.379 0.000 0.801 46 E CB -0.173 29.776 29.700 0.416 0.000 0.750 46 E HN -0.447 8.038 8.360 0.208 0.000 0.452 47 L N -0.883 120.551 121.223 0.352 0.000 1.989 47 L HA -0.405 nan 4.340 nan 0.000 0.211 47 L C 1.967 179.034 176.870 0.327 0.000 1.071 47 L CA 3.051 58.075 54.840 0.307 0.000 0.749 47 L CB -0.165 41.971 42.059 0.127 0.000 0.890 47 L HN 0.436 8.732 8.230 0.292 0.109 0.431 48 F N 0.360 120.411 119.950 0.168 0.000 2.046 48 F HA -0.492 nan 4.527 nan 0.000 0.297 48 F C 1.465 177.389 175.800 0.207 0.000 1.123 48 F CA 3.500 61.590 58.000 0.150 0.000 1.199 48 F CB -0.015 39.050 39.000 0.109 0.000 0.972 48 F HN -0.382 8.173 8.300 0.425 0.000 0.474 49 F N -0.216 119.672 119.950 -0.103 0.000 2.095 49 F HA -0.415 nan 4.527 nan 0.000 0.298 49 F C 1.476 177.193 175.800 -0.139 0.000 1.104 49 F CA 3.467 61.343 58.000 -0.206 0.000 1.232 49 F CB 0.056 39.059 39.000 0.004 0.000 0.987 49 F HN -0.044 8.568 8.300 0.521 0.000 0.475 50 L N -2.411 118.742 121.223 -0.117 0.000 2.265 50 L HA -0.375 nan 4.340 nan 0.000 0.215 50 L C 2.322 179.137 176.870 -0.091 0.000 1.117 50 L CA 2.693 57.395 54.840 -0.230 0.000 0.782 50 L CB -0.883 41.194 42.059 0.030 0.000 0.914 50 L HN 0.310 8.680 8.230 0.233 0.000 0.441 51 S N -0.160 115.580 115.700 0.068 0.000 2.425 51 S HA -0.164 nan 4.470 nan 0.000 0.225 51 S C 1.643 176.267 174.600 0.040 0.000 1.024 51 S CA 4.012 62.334 58.200 0.203 0.000 0.951 51 S CB -0.243 63.061 63.200 0.173 0.000 0.796 51 S HN -0.139 8.052 8.310 0.046 0.147 0.498 52 K N 2.535 122.799 120.400 -0.226 0.000 2.148 52 K HA -0.236 nan 4.320 nan 0.000 0.204 52 K C 2.330 178.721 176.600 -0.349 0.000 1.050 52 K CA 2.638 58.752 56.287 -0.289 0.000 0.942 52 K CB -0.328 31.904 32.500 -0.447 0.000 0.724 52 K HN -0.558 7.392 8.250 -0.332 0.101 0.446 53 L N -1.012 119.952 121.223 -0.433 0.000 2.027 53 L HA -0.265 nan 4.340 nan 0.000 0.206 53 L C 1.962 178.726 176.870 -0.176 0.000 1.074 53 L CA 2.634 57.230 54.840 -0.405 0.000 0.745 53 L CB -0.770 40.958 42.059 -0.552 0.000 0.898 53 L HN -0.174 7.664 8.230 -0.507 0.088 0.433 54 Q N -0.934 118.809 119.800 -0.094 0.000 2.061 54 Q HA -0.416 nan 4.340 nan 0.000 0.204 54 Q C 2.738 178.756 176.000 0.031 0.000 0.984 54 Q CA 3.507 59.301 55.803 -0.015 0.000 0.846 54 Q CB -0.230 28.589 28.738 0.134 0.000 0.902 54 Q HN -0.324 7.709 8.270 -0.101 0.176 0.421 55 R N -1.741 118.863 120.500 0.174 0.000 2.139 55 R HA -0.292 nan 4.340 nan 0.000 0.243 55 R C 1.976 178.405 176.300 0.217 0.000 1.145 55 R CA 2.713 58.959 56.100 0.243 0.000 0.976 55 R CB -0.056 30.447 30.300 0.337 0.000 0.866 55 R HN 0.225 8.514 8.270 0.223 0.114 0.449 56 H N -5.354 113.696 119.070 -0.033 0.000 2.553 56 H HA 0.055 nan 4.556 nan 0.000 0.265 56 H C -0.027 175.267 175.328 -0.058 0.000 0.964 56 H CA -0.431 55.589 56.048 -0.046 0.000 1.156 56 H CB 0.767 30.492 29.762 -0.063 0.000 1.411 56 H HN -0.628 7.625 8.280 0.204 0.149 0.558 57 G N -0.692 108.134 108.800 0.043 0.000 2.212 57 G HA2 -0.362 nan 3.960 nan 0.000 0.255 57 G HA3 -0.362 nan 3.960 nan 0.000 0.255 57 G C -0.218 174.662 174.900 -0.033 0.000 1.062 57 G CA 0.815 45.904 45.100 -0.017 0.000 0.815 57 G HN 0.096 8.226 8.290 0.038 0.183 0.497 58 I N -3.162 117.374 120.570 -0.057 0.000 4.139 58 I HA 0.001 nan 4.170 nan 0.000 0.335 58 I C 0.369 176.399 176.117 -0.145 0.000 1.327 58 I CA -0.063 61.185 61.300 -0.087 0.000 1.112 58 I CB 0.791 38.733 38.000 -0.098 0.000 1.058 58 I HN 0.124 8.297 8.210 -0.063 0.000 0.396 59 L N -0.262 120.855 121.223 -0.177 0.000 2.202 59 L HA -0.077 nan 4.340 nan 0.000 0.205 59 L C -0.518 176.236 176.870 -0.193 0.000 1.083 59 L CA 1.471 56.164 54.840 -0.245 0.000 0.790 59 L CB 0.728 42.591 42.059 -0.328 0.000 0.942 59 L HN -0.515 7.626 8.230 -0.148 0.000 0.452 60 D N -2.625 117.698 120.400 -0.129 0.000 2.383 60 D HA -0.151 nan 4.640 nan 0.000 0.252 60 D C 0.796 177.046 176.300 -0.083 0.000 1.166 60 D CA 1.343 55.288 54.000 -0.091 0.000 0.879 60 D CB 0.173 40.934 40.800 -0.065 0.000 1.164 60 D HN -0.697 7.604 8.370 -0.115 0.000 0.462 61 G N 5.625 114.381 108.800 -0.073 0.000 2.179 61 G HA2 -0.457 nan 3.960 nan 0.000 0.260 61 G HA3 -0.457 nan 3.960 nan 0.000 0.260 61 G C -1.229 173.620 174.900 -0.085 0.000 0.977 61 G CA 0.094 45.155 45.100 -0.065 0.000 0.641 61 G HN 0.628 8.764 8.290 -0.067 0.114 0.533 62 A N 0.466 123.214 122.820 -0.121 0.000 2.286 62 A HA 0.473 nan 4.320 nan 0.000 0.286 62 A C -1.485 175.995 177.584 -0.173 0.000 1.097 62 A CA -0.656 51.296 52.037 -0.142 0.000 0.821 62 A CB 1.421 20.317 19.000 -0.174 0.000 1.076 62 A HN -0.710 7.280 8.150 -0.135 0.079 0.490 63 T N 2.093 116.555 114.554 -0.154 0.000 2.788 63 T HA 0.364 nan 4.350 nan 0.000 0.296 63 T C -1.003 173.577 174.700 -0.200 0.000 1.009 63 T CA -0.192 61.810 62.100 -0.164 0.000 0.949 63 T CB 0.635 69.454 68.868 -0.082 0.000 0.946 63 T HN 0.308 8.476 8.240 -0.120 0.000 0.453 64 V N 9.067 128.765 119.914 -0.360 0.000 2.389 64 V HA 0.359 nan 4.120 nan 0.000 0.264 64 V C -1.135 174.906 176.094 -0.088 0.000 1.049 64 V CA 0.176 62.270 62.300 -0.344 0.000 0.932 64 V CB -0.029 31.294 31.823 -0.832 0.000 1.011 64 V HN 0.807 8.696 8.190 -0.501 0.000 0.475 65 V N 9.379 129.302 119.914 0.014 0.000 2.318 65 V HA 0.368 nan 4.120 nan 0.000 0.271 65 V C -1.682 174.538 176.094 0.210 0.000 1.030 65 V CA -1.039 61.331 62.300 0.118 0.000 0.844 65 V CB 0.085 31.956 31.823 0.080 0.000 1.015 65 V HN 0.623 8.806 8.190 -0.013 0.000 0.460 66 Y N 9.747 130.144 120.300 0.161 0.000 2.491 66 Y HA 0.510 nan 4.550 nan 0.000 0.334 66 Y C -1.988 174.027 175.900 0.192 0.000 0.969 66 Y CA -3.099 55.120 58.100 0.199 0.000 1.241 66 Y CB 0.852 39.475 38.460 0.272 0.000 1.105 66 Y HN 0.374 8.888 8.280 0.391 0.000 0.503 67 I N 6.970 127.815 120.570 0.459 0.000 2.396 67 I HA 0.182 nan 4.170 nan 0.000 0.292 67 I C -0.670 175.688 176.117 0.402 0.000 0.999 67 I CA 0.080 61.590 61.300 0.351 0.000 1.310 67 I CB 1.246 39.395 38.000 0.248 0.000 1.404 67 I HN 0.263 8.687 8.210 0.356 0.000 0.496 68 G N 6.358 115.343 108.800 0.309 0.000 2.326 68 G HA2 -0.333 nan 3.960 nan 0.000 0.286 68 G HA3 -0.333 nan 3.960 nan 0.000 0.286 68 G C -0.505 174.567 174.900 0.288 0.000 1.096 68 G CA 0.531 45.794 45.100 0.272 0.000 1.003 68 G HN 0.715 9.163 8.290 0.263 0.000 0.503 69 S N -1.769 114.012 115.700 0.136 0.000 2.540 69 S HA 0.067 nan 4.470 nan 0.000 0.218 69 S C -0.204 174.362 174.600 -0.057 0.000 0.977 69 S CA -0.669 57.414 58.200 -0.194 0.000 0.918 69 S CB 0.854 63.873 63.200 -0.301 0.000 0.806 69 S HN -0.584 7.856 8.310 0.164 -0.032 0.496 70 A N 2.920 125.701 122.820 -0.066 0.000 2.306 70 A HA 0.415 nan 4.320 nan 0.000 0.314 70 A C -1.239 176.320 177.584 -0.042 0.000 1.164 70 A CA -2.400 49.548 52.037 -0.147 0.000 0.822 70 A CB 0.315 19.069 19.000 -0.410 0.000 1.130 70 A HN -0.371 8.086 8.150 -0.045 -0.333 0.496 71 P HA -0.045 nan 4.420 nan 0.000 0.229 71 P C 0.123 177.415 177.300 -0.014 0.000 1.160 71 P CA 0.497 63.555 63.100 -0.070 0.000 0.777 71 P CB 0.727 32.408 31.700 -0.032 0.000 0.814 72 G N -2.019 106.781 108.800 -0.001 0.000 2.225 72 G HA2 -0.466 nan 3.960 nan 0.000 0.267 72 G HA3 -0.466 nan 3.960 nan 0.000 0.267 72 G C 1.037 175.841 174.900 -0.160 0.000 1.024 72 G CA 0.747 45.762 45.100 -0.142 0.000 0.784 72 G HN 0.286 8.563 8.290 0.046 0.041 0.507 73 T N 3.256 117.826 114.554 0.027 0.000 2.685 73 T HA -0.384 nan 4.350 nan 0.000 0.268 73 T C 1.998 176.815 174.700 0.195 0.000 1.034 73 T CA 3.910 66.062 62.100 0.087 0.000 1.149 73 T CB -0.741 68.202 68.868 0.126 0.000 0.860 73 T HN 0.171 8.433 8.240 0.091 0.033 0.449 74 H N 0.432 119.629 119.070 0.211 0.000 2.495 74 H HA -0.118 nan 4.556 nan 0.000 0.287 74 H C 1.600 177.011 175.328 0.138 0.000 1.033 74 H CA 2.629 58.824 56.048 0.246 0.000 1.307 74 H CB -0.893 28.966 29.762 0.162 0.000 1.401 74 H HN -0.097 8.643 8.280 0.283 -0.290 0.555 75 I N 0.338 120.563 120.570 -0.575 0.000 2.394 75 I HA -0.469 nan 4.170 nan 0.000 0.251 75 I C 1.338 177.236 176.117 -0.364 0.000 1.136 75 I CA 3.329 64.357 61.300 -0.452 0.000 1.425 75 I CB -0.602 37.093 38.000 -0.508 0.000 1.079 75 I HN 0.549 8.173 8.210 -0.683 0.177 0.425 76 R N -0.281 120.083 120.500 -0.227 0.000 2.096 76 R HA -0.374 nan 4.340 nan 0.000 0.235 76 R C 1.417 177.537 176.300 -0.300 0.000 1.127 76 R CA 2.386 58.356 56.100 -0.216 0.000 0.968 76 R CB -1.035 29.258 30.300 -0.011 0.000 0.861 76 R HN -0.594 7.598 8.270 -0.129 0.000 0.440 77 Y N -0.179 119.794 120.300 -0.545 0.000 2.181 77 Y HA -0.311 nan 4.550 nan 0.000 0.288 77 Y C 1.907 177.627 175.900 -0.300 0.000 1.146 77 Y CA 3.637 61.312 58.100 -0.707 0.000 1.164 77 Y CB -0.042 37.814 38.460 -1.007 0.000 0.982 77 Y HN -0.611 7.526 8.280 -0.238 0.000 0.515 78 L N -1.812 119.399 121.223 -0.020 0.000 2.042 78 L HA -0.498 nan 4.340 nan 0.000 0.210 78 L C 2.073 178.987 176.870 0.074 0.000 1.076 78 L CA 3.102 58.004 54.840 0.103 0.000 0.749 78 L CB -0.470 41.722 42.059 0.223 0.000 0.893 78 L HN -0.548 7.697 8.230 0.024 0.000 0.432 79 R N -0.799 119.532 120.500 -0.282 0.000 2.073 79 R HA -0.386 nan 4.340 nan 0.000 0.234 79 R C 2.217 178.498 176.300 -0.033 0.000 1.134 79 R CA 3.158 59.074 56.100 -0.307 0.000 0.952 79 R CB -0.626 29.276 30.300 -0.664 0.000 0.850 79 R HN 0.263 8.211 8.270 -0.416 0.072 0.433 80 D N -1.476 118.828 120.400 -0.161 0.000 2.144 80 D HA -0.203 nan 4.640 nan 0.000 0.199 80 D C 2.161 178.429 176.300 -0.052 0.000 0.984 80 D CA 3.221 57.159 54.000 -0.104 0.000 0.834 80 D CB -0.586 40.063 40.800 -0.251 0.000 0.955 80 D HN -0.088 8.120 8.370 -0.270 0.000 0.465 81 H N 2.177 121.075 119.070 -0.287 0.000 2.253 81 H HA -0.353 nan 4.556 nan 0.000 0.296 81 H C 2.278 177.476 175.328 -0.217 0.000 1.067 81 H CA 4.376 60.215 56.048 -0.348 0.000 1.245 81 H CB 0.240 29.693 29.762 -0.514 0.000 1.364 81 H HN -0.262 7.885 8.280 -0.191 0.018 0.494 82 F N -2.965 117.125 119.950 0.234 0.000 2.269 82 F HA -0.380 nan 4.527 nan 0.000 0.301 82 F C 1.784 177.661 175.800 0.128 0.000 1.082 82 F CA 3.518 61.631 58.000 0.188 0.000 1.360 82 F CB -0.611 38.581 39.000 0.321 0.000 1.041 82 F HN -0.616 7.782 8.300 0.164 0.000 0.512 83 Y N 0.553 120.959 120.300 0.178 0.000 2.145 83 Y HA -0.537 nan 4.550 nan 0.000 0.286 83 Y C 2.170 178.076 175.900 0.011 0.000 1.145 83 Y CA 3.912 62.069 58.100 0.096 0.000 1.148 83 Y CB -0.004 38.489 38.460 0.055 0.000 0.981 83 Y HN -0.351 8.154 8.280 0.408 0.020 0.507 84 N N -0.993 117.668 118.700 -0.065 0.000 2.396 84 N HA -0.238 nan 4.740 nan 0.000 0.180 84 N C 1.375 176.775 175.510 -0.183 0.000 1.028 84 N CA 2.350 55.300 53.050 -0.167 0.000 0.893 84 N CB -0.367 38.057 38.487 -0.105 0.000 0.967 84 N HN 0.021 8.335 8.380 0.067 0.106 0.440 85 L N -3.014 118.109 121.223 -0.167 0.000 2.291 85 L HA -0.033 nan 4.340 nan 0.000 0.214 85 L C 1.177 177.996 176.870 -0.086 0.000 1.120 85 L CA 1.278 56.039 54.840 -0.131 0.000 0.799 85 L CB 0.077 42.078 42.059 -0.096 0.000 0.925 85 L HN -0.328 7.670 8.230 -0.145 0.146 0.446 86 G N -3.360 105.383 108.800 -0.096 0.000 2.201 86 G HA2 -0.351 nan 3.960 nan 0.000 0.212 86 G HA3 -0.351 nan 3.960 nan 0.000 0.212 86 G C -0.325 174.553 174.900 -0.037 0.000 0.994 86 G CA -0.266 44.774 45.100 -0.099 0.000 0.644 86 G HN -0.637 7.464 8.290 -0.099 0.130 0.508 87 V N 1.785 121.724 119.914 0.042 0.000 2.715 87 V HA -0.059 nan 4.120 nan 0.000 0.299 87 V C -0.119 176.027 176.094 0.085 0.000 1.054 87 V CA 0.938 63.281 62.300 0.072 0.000 1.077 87 V CB 0.437 32.349 31.823 0.150 0.000 0.972 87 V HN -0.482 7.700 8.190 0.079 0.055 0.484 88 I N 7.166 127.759 120.570 0.039 0.000 2.315 88 I HA 0.199 nan 4.170 nan 0.000 0.291 88 I C -1.397 174.732 176.117 0.021 0.000 1.006 88 I CA -0.545 60.787 61.300 0.053 0.000 1.265 88 I CB 1.190 39.201 38.000 0.018 0.000 1.387 88 I HN -0.006 8.500 8.210 0.005 -0.293 0.475 89 I N 6.712 127.323 120.570 0.069 0.000 2.894 89 I HA 0.347 nan 4.170 nan 0.000 0.302 89 I C -1.671 174.448 176.117 0.003 0.000 1.188 89 I CA -1.537 59.727 61.300 -0.060 0.000 1.014 89 I CB 4.043 41.947 38.000 -0.160 0.000 1.242 89 I HN 0.190 8.499 8.210 0.166 0.000 0.430 90 K N 3.536 123.857 120.400 -0.132 0.000 2.413 90 K HA 0.472 nan 4.320 nan 0.000 0.257 90 K C -1.944 174.598 176.600 -0.097 0.000 0.946 90 K CA -1.265 55.020 56.287 -0.002 0.000 0.823 90 K CB 1.472 33.969 32.500 -0.004 0.000 1.109 90 K HN 0.052 8.151 8.250 -0.252 0.000 0.427 91 W N 3.502 124.820 121.300 0.031 0.000 2.433 91 W HA 0.542 nan 4.660 nan 0.000 0.315 91 W C -1.031 175.502 176.519 0.025 0.000 1.087 91 W CA -1.239 56.130 57.345 0.040 0.000 1.205 91 W CB 2.141 31.621 29.460 0.034 0.000 1.288 91 W HN 0.918 9.379 8.180 0.468 0.000 0.504 92 M N 3.748 123.496 119.600 0.246 0.000 2.053 92 M HA 0.615 nan 4.480 nan 0.000 0.297 92 M C -2.340 174.077 176.300 0.195 0.000 0.921 92 M CA -0.594 54.807 55.300 0.170 0.000 0.918 92 M CB 2.387 35.060 32.600 0.122 0.000 1.499 92 M HN 0.809 9.238 8.290 0.232 0.000 0.422 93 L N 6.571 127.861 121.223 0.110 0.000 2.262 93 L HA 0.636 nan 4.340 nan 0.000 0.288 93 L C -1.599 175.369 176.870 0.164 0.000 1.035 93 L CA -0.751 54.126 54.840 0.063 0.000 0.820 93 L CB 0.221 42.092 42.059 -0.314 0.000 1.204 93 L HN 1.012 9.278 8.230 0.059 0.000 0.424 94 I N 3.321 124.041 120.570 0.250 0.000 2.433 94 I HA 0.662 nan 4.170 nan 0.000 0.292 94 I C -1.971 174.257 176.117 0.184 0.000 1.001 94 I CA -0.902 60.538 61.300 0.234 0.000 1.119 94 I CB 1.846 40.008 38.000 0.269 0.000 1.289 94 I HN 0.676 9.046 8.210 0.267 0.000 0.438 95 D N 6.694 127.115 120.400 0.034 0.000 2.722 95 D HA 0.058 nan 4.640 nan 0.000 0.231 95 D C -0.247 175.804 176.300 -0.415 0.000 1.218 95 D CA 0.082 54.011 54.000 -0.117 0.000 0.753 95 D CB 4.131 44.846 40.800 -0.142 0.000 1.471 95 D HN 0.116 8.490 8.370 0.007 0.000 0.455 96 G N 0.839 109.130 108.800 -0.847 0.000 2.572 96 G HA2 -0.170 nan 3.960 nan 0.000 0.216 96 G HA3 -0.170 nan 3.960 nan 0.000 0.216 96 G C -0.807 173.713 174.900 -0.634 0.000 1.133 96 G CA 0.397 44.637 45.100 -1.433 0.000 0.791 96 G HN 0.317 8.212 8.290 -0.658 0.000 0.538 97 R N 0.934 121.232 120.500 -0.336 0.000 2.500 97 R HA 0.151 nan 4.340 nan 0.000 0.277 97 R C -1.289 174.867 176.300 -0.240 0.000 1.026 97 R CA -0.997 55.011 56.100 -0.154 0.000 1.058 97 R CB 0.724 31.000 30.300 -0.039 0.000 1.078 97 R HN -0.688 7.683 8.270 -0.297 -0.280 0.509 98 H N 2.340 121.290 119.070 -0.199 0.000 2.886 98 H HA -0.044 nan 4.556 nan 0.000 0.329 98 H C -0.517 174.705 175.328 -0.176 0.000 1.044 98 H CA -0.054 55.891 56.048 -0.172 0.000 1.456 98 H CB 0.210 29.926 29.762 -0.076 0.000 1.464 98 H HN 0.119 8.449 8.280 0.082 0.000 0.573 99 H N 3.920 122.728 119.070 -0.437 0.000 2.551 99 H HA -0.015 nan 4.556 nan 0.000 0.358 99 H C -0.127 174.828 175.328 -0.621 0.000 1.151 99 H CA 0.058 55.849 56.048 -0.427 0.000 1.374 99 H CB 1.149 30.778 29.762 -0.223 0.000 1.473 99 H HN 0.076 8.240 8.280 -0.193 0.000 0.574 100 D N 1.721 121.983 120.400 -0.230 0.000 2.493 100 D HA -0.026 nan 4.640 nan 0.000 0.240 100 D C -0.171 176.093 176.300 -0.060 0.000 1.142 100 D CA -0.767 53.142 54.000 -0.152 0.000 0.872 100 D CB 0.730 41.496 40.800 -0.056 0.000 1.173 100 D HN 0.046 8.250 8.370 -0.111 0.100 0.467 101 P HA -0.201 nan 4.420 nan 0.000 0.218 101 P C 1.162 178.466 177.300 0.006 0.000 1.146 101 P CA 2.063 65.193 63.100 0.049 0.000 0.820 101 P CB -0.009 31.739 31.700 0.080 0.000 0.778 102 I N -7.173 113.393 120.570 -0.007 0.000 3.241 102 I HA -0.274 nan 4.170 nan 0.000 0.280 102 I C 0.603 176.695 176.117 -0.042 0.000 1.320 102 I CA 2.290 63.583 61.300 -0.012 0.000 1.413 102 I CB -1.005 37.004 38.000 0.016 0.000 1.060 102 I HN -0.326 8.143 8.210 -0.007 -0.263 0.500 103 L N -0.955 120.229 121.223 -0.065 0.000 2.640 103 L HA 0.015 nan 4.340 nan 0.000 0.230 103 L C -0.310 176.505 176.870 -0.090 0.000 1.123 103 L CA -0.423 54.349 54.840 -0.113 0.000 0.900 103 L CB -0.239 41.719 42.059 -0.168 0.000 1.146 103 L HN -0.180 7.942 8.230 -0.051 0.077 0.484 104 N N 0.808 119.478 118.700 -0.050 0.000 2.518 104 N HA -0.033 nan 4.740 nan 0.000 0.266 104 N C 0.931 176.420 175.510 -0.036 0.000 1.196 104 N CA 1.195 54.227 53.050 -0.031 0.000 0.947 104 N CB -0.111 38.374 38.487 -0.003 0.000 1.098 104 N HN -0.622 7.680 8.380 -0.036 0.055 0.450 105 G N 0.537 109.319 108.800 -0.029 0.000 2.168 105 G HA2 -0.331 nan 3.960 nan 0.000 0.263 105 G HA3 -0.331 nan 3.960 nan 0.000 0.263 105 G C -0.069 174.805 174.900 -0.044 0.000 0.977 105 G CA 0.357 45.440 45.100 -0.028 0.000 0.659 105 G HN 0.225 8.500 8.290 -0.025 0.000 0.533 106 L N 1.049 122.234 121.223 -0.064 0.000 2.385 106 L HA -0.106 nan 4.340 nan 0.000 0.281 106 L C 0.971 177.806 176.870 -0.058 0.000 1.106 106 L CA -0.644 54.142 54.840 -0.091 0.000 0.856 106 L CB -0.606 41.374 42.059 -0.132 0.000 1.186 106 L HN -0.800 7.329 8.230 -0.066 0.061 0.453 107 R N 6.527 126.997 120.500 -0.050 0.000 2.154 107 R HA -0.403 nan 4.340 nan 0.000 0.248 107 R C 0.005 176.315 176.300 0.016 0.000 1.155 107 R CA 2.983 59.076 56.100 -0.013 0.000 0.979 107 R CB -0.102 30.194 30.300 -0.007 0.000 0.869 107 R HN 0.649 8.878 8.270 -0.067 0.000 0.452 108 D N -6.181 114.230 120.400 0.018 0.000 2.363 108 D HA 0.032 nan 4.640 nan 0.000 0.214 108 D C -1.670 174.723 176.300 0.154 0.000 1.093 108 D CA -0.550 53.508 54.000 0.097 0.000 0.837 108 D CB -0.259 40.631 40.800 0.151 0.000 0.948 108 D HN -0.270 8.040 8.370 -0.031 0.041 0.507 109 V N -3.938 116.018 119.914 0.069 0.000 2.604 109 V HA 0.729 nan 4.120 nan 0.000 0.305 109 V C -1.194 174.921 176.094 0.035 0.000 1.043 109 V CA -2.201 60.147 62.300 0.079 0.000 0.888 109 V CB 2.287 34.077 31.823 -0.055 0.000 0.995 109 V HN -0.509 7.584 8.190 0.014 0.105 0.429 110 T N 8.843 123.431 114.554 0.056 0.000 2.788 110 T HA 0.409 nan 4.350 nan 0.000 0.296 110 T C -1.127 173.573 174.700 0.000 0.000 1.009 110 T CA -0.707 61.415 62.100 0.036 0.000 0.949 110 T CB 0.247 69.156 68.868 0.067 0.000 0.946 110 T HN 0.641 8.834 8.240 0.105 0.110 0.453 111 L N 6.632 127.837 121.223 -0.030 0.000 2.281 111 L HA 0.649 nan 4.340 nan 0.000 0.285 111 L C -0.677 176.231 176.870 0.063 0.000 1.074 111 L CA -0.318 54.491 54.840 -0.050 0.000 0.817 111 L CB 0.249 42.281 42.059 -0.045 0.000 1.168 111 L HN 0.402 8.620 8.230 -0.020 0.000 0.434 112 V N 5.767 125.754 119.914 0.122 0.000 2.443 112 V HA 0.259 nan 4.120 nan 0.000 0.293 112 V C -0.796 175.328 176.094 0.049 0.000 1.021 112 V CA -1.025 61.332 62.300 0.096 0.000 0.848 112 V CB 1.860 33.768 31.823 0.143 0.000 0.998 112 V HN 0.820 9.113 8.190 0.172 0.000 0.424 113 T N 10.016 124.551 114.554 -0.030 0.000 2.739 113 T HA 0.284 nan 4.350 nan 0.000 0.298 113 T C -1.389 173.162 174.700 -0.247 0.000 0.929 113 T CA 0.380 62.395 62.100 -0.143 0.000 1.014 113 T CB -1.088 67.709 68.868 -0.119 0.000 0.914 113 T HN 0.374 8.605 8.240 -0.014 0.000 0.509 114 R N 5.784 126.065 120.500 -0.365 0.000 3.329 114 R HA -0.000 nan 4.340 nan 0.000 0.251 114 R C -2.296 173.763 176.300 -0.400 0.000 1.023 114 R CA -0.325 55.524 56.100 -0.418 0.000 1.009 114 R CB 2.765 32.784 30.300 -0.468 0.000 1.250 114 R HN -0.213 7.701 8.270 -0.372 0.133 0.518 115 F N 2.692 122.573 119.950 -0.114 0.000 2.424 115 F HA 0.076 nan 4.527 nan 0.000 0.356 115 F C 0.020 175.792 175.800 -0.048 0.000 1.110 115 F CA -0.776 57.190 58.000 -0.056 0.000 1.161 115 F CB 0.386 39.361 39.000 -0.040 0.000 1.115 115 F HN 0.030 8.234 8.300 -0.159 0.000 0.507 116 V N 6.123 126.168 119.914 0.218 0.000 2.843 116 V HA -0.070 nan 4.120 nan 0.000 0.305 116 V C -0.306 175.897 176.094 0.182 0.000 1.065 116 V CA 0.716 63.150 62.300 0.222 0.000 1.116 116 V CB 0.253 32.235 31.823 0.264 0.000 0.968 116 V HN 0.204 8.552 8.190 0.263 0.000 0.487 117 D N 4.179 124.696 120.400 0.194 0.000 2.643 117 D HA 0.056 nan 4.640 nan 0.000 0.283 117 D C 0.531 176.909 176.300 0.130 0.000 1.242 117 D CA -1.378 52.701 54.000 0.131 0.000 0.863 117 D CB 2.235 43.097 40.800 0.103 0.000 1.382 117 D HN -0.323 8.213 8.370 0.277 0.000 0.444 118 E N -1.091 119.159 120.200 0.082 0.000 2.048 118 E HA -0.443 nan 4.350 nan 0.000 0.202 118 E C 1.430 178.066 176.600 0.061 0.000 1.021 118 E CA 4.183 60.618 56.400 0.059 0.000 0.825 118 E CB -0.072 29.650 29.700 0.037 0.000 0.756 118 E HN 0.335 8.736 8.360 0.067 0.000 0.454 119 E N -1.223 119.022 120.200 0.076 0.000 2.085 119 E HA -0.296 nan 4.350 nan 0.000 0.194 119 E C 2.111 178.770 176.600 0.099 0.000 0.994 119 E CA 2.597 59.041 56.400 0.074 0.000 0.801 119 E CB -0.426 29.321 29.700 0.079 0.000 0.743 119 E HN -0.016 8.390 8.360 0.076 0.000 0.453 120 Y N -0.619 119.699 120.300 0.030 0.000 2.497 120 Y HA -0.222 nan 4.550 nan 0.000 0.292 120 Y C 1.592 177.513 175.900 0.035 0.000 1.137 120 Y CA 2.480 60.601 58.100 0.035 0.000 1.285 120 Y CB -0.014 38.474 38.460 0.046 0.000 0.991 120 Y HN -0.457 8.242 8.280 0.253 -0.267 0.556 121 L N -1.699 119.507 121.223 -0.028 0.000 2.095 121 L HA -0.424 nan 4.340 nan 0.000 0.204 121 L C 1.985 178.789 176.870 -0.110 0.000 1.080 121 L CA 2.838 57.635 54.840 -0.072 0.000 0.759 121 L CB -0.429 41.632 42.059 0.003 0.000 0.914 121 L HN -0.547 7.564 8.230 0.067 0.158 0.439 122 R N -0.998 119.458 120.500 -0.074 0.000 2.092 122 R HA -0.371 nan 4.340 nan 0.000 0.231 122 R C 2.703 178.943 176.300 -0.100 0.000 1.119 122 R CA 3.876 59.934 56.100 -0.069 0.000 0.970 122 R CB -0.299 29.979 30.300 -0.037 0.000 0.864 122 R HN -0.386 7.780 8.270 -0.037 0.081 0.440 123 S N 0.818 116.431 115.700 -0.145 0.000 2.355 123 S HA -0.260 nan 4.470 nan 0.000 0.222 123 S C 2.132 176.592 174.600 -0.233 0.000 1.031 123 S CA 3.788 61.885 58.200 -0.172 0.000 0.993 123 S CB 0.004 63.107 63.200 -0.162 0.000 0.859 123 S HN -0.078 8.082 8.310 -0.130 0.073 0.453 124 I N -1.835 118.508 120.570 -0.378 0.000 2.439 124 I HA -0.288 nan 4.170 nan 0.000 0.251 124 I C 1.398 177.438 176.117 -0.128 0.000 1.139 124 I CA 2.668 63.801 61.300 -0.279 0.000 1.438 124 I CB -0.353 37.453 38.000 -0.323 0.000 1.085 124 I HN -0.206 7.707 8.210 -0.495 0.000 0.427 125 K N 0.302 120.637 120.400 -0.110 0.000 2.026 125 K HA -0.343 nan 4.320 nan 0.000 0.208 125 K C 2.043 178.632 176.600 -0.019 0.000 1.048 125 K CA 2.594 58.850 56.287 -0.051 0.000 0.929 125 K CB -0.564 31.900 32.500 -0.060 0.000 0.713 125 K HN -0.010 8.154 8.250 -0.143 0.000 0.439 126 K N -1.193 119.181 120.400 -0.043 0.000 1.985 126 K HA -0.331 nan 4.320 nan 0.000 0.210 126 K C 2.017 178.625 176.600 0.014 0.000 1.047 126 K CA 2.649 58.926 56.287 -0.016 0.000 0.932 126 K CB -0.137 32.343 32.500 -0.034 0.000 0.716 126 K HN -0.239 7.962 8.250 -0.073 0.004 0.439 127 Q N -2.550 117.241 119.800 -0.015 0.000 2.541 127 Q HA -0.171 nan 4.340 nan 0.000 0.215 127 Q C 0.834 176.836 176.000 0.004 0.000 0.977 127 Q CA 1.917 57.718 55.803 -0.004 0.000 0.934 127 Q CB -0.134 28.595 28.738 -0.016 0.000 0.988 127 Q HN -0.209 8.032 8.270 -0.047 0.000 0.521 128 L N -1.085 120.145 121.223 0.012 0.000 2.435 128 L HA 0.080 nan 4.340 nan 0.000 0.195 128 L C 0.374 177.258 176.870 0.022 0.000 1.072 128 L CA 0.147 54.993 54.840 0.010 0.000 0.833 128 L CB 1.400 43.459 42.059 -0.000 0.000 1.081 128 L HN -0.749 7.290 8.230 0.014 0.199 0.485 129 H N 4.382 123.432 119.070 -0.034 0.000 3.092 129 H HA -0.118 nan 4.556 nan 0.000 0.332 129 H C -1.410 173.904 175.328 -0.023 0.000 1.029 129 H CA 1.591 57.621 56.048 -0.030 0.000 1.376 129 H CB 0.457 30.201 29.762 -0.031 0.000 1.329 129 H HN -0.304 8.060 8.280 0.140 0.000 0.598 130 P HA 0.146 nan 4.420 nan 0.000 0.253 130 P C -1.338 175.813 177.300 -0.248 0.000 1.508 130 P CA -0.281 62.353 63.100 -0.776 0.000 0.883 130 P CB -0.164 31.109 31.700 -0.711 0.000 1.519 131 S N 1.351 116.966 115.700 -0.140 0.000 2.562 131 S HA -0.187 nan 4.470 nan 0.000 0.281 131 S C -0.757 173.815 174.600 -0.048 0.000 1.333 131 S CA 0.389 58.541 58.200 -0.080 0.000 1.052 131 S CB 0.904 64.069 63.200 -0.058 0.000 0.884 131 S HN -0.503 7.542 8.310 -0.126 0.190 0.506 132 K N 4.958 125.328 120.400 -0.050 0.000 2.349 132 K HA 0.038 nan 4.320 nan 0.000 0.289 132 K C -0.836 175.738 176.600 -0.042 0.000 1.064 132 K CA -0.851 55.415 56.287 -0.035 0.000 0.947 132 K CB 0.113 32.588 32.500 -0.041 0.000 1.007 132 K HN 0.161 8.375 8.250 -0.060 0.000 0.478 133 I N 4.386 124.943 120.570 -0.022 0.000 2.472 133 I HA 0.417 nan 4.170 nan 0.000 0.290 133 I C -1.045 175.066 176.117 -0.009 0.000 1.016 133 I CA -0.357 60.928 61.300 -0.023 0.000 1.348 133 I CB 1.401 39.397 38.000 -0.007 0.000 1.417 133 I HN 0.327 8.534 8.210 -0.006 0.000 0.521 134 I N 5.220 125.774 120.570 -0.027 0.000 2.418 134 I HA 0.475 nan 4.170 nan 0.000 0.287 134 I C -1.931 174.210 176.117 0.041 0.000 1.008 134 I CA -1.397 59.912 61.300 0.014 0.000 1.104 134 I CB 2.477 40.443 38.000 -0.056 0.000 1.264 134 I HN 0.379 8.554 8.210 -0.058 0.000 0.438 135 L N 8.280 129.558 121.223 0.093 0.000 2.292 135 L HA 0.740 nan 4.340 nan 0.000 0.284 135 L C -2.194 174.689 176.870 0.021 0.000 1.065 135 L CA -0.979 53.899 54.840 0.065 0.000 0.806 135 L CB 2.044 44.145 42.059 0.071 0.000 1.175 135 L HN 0.509 8.826 8.230 0.144 0.000 0.431 136 I N 6.955 127.505 120.570 -0.035 0.000 2.478 136 I HA 0.440 nan 4.170 nan 0.000 0.287 136 I C -2.297 173.732 176.117 -0.147 0.000 1.042 136 I CA -0.973 60.207 61.300 -0.200 0.000 1.067 136 I CB 2.356 40.069 38.000 -0.477 0.000 1.233 136 I HN 0.718 8.935 8.210 0.012 0.000 0.431 137 S N 5.558 121.209 115.700 -0.082 0.000 2.664 137 S HA 0.623 nan 4.470 nan 0.000 0.304 137 S C -1.588 173.057 174.600 0.075 0.000 1.099 137 S CA -1.577 56.654 58.200 0.052 0.000 1.003 137 S CB 1.921 65.168 63.200 0.079 0.000 1.092 137 S HN 0.412 8.658 8.310 -0.107 0.000 0.525 138 D N 1.691 122.200 120.400 0.181 0.000 3.048 138 D HA 0.121 nan 4.640 nan 0.000 0.290 138 D C -0.752 175.657 176.300 0.182 0.000 1.667 138 D CA -0.049 54.075 54.000 0.206 0.000 0.835 138 D CB 1.525 42.535 40.800 0.351 0.000 1.438 138 D HN -0.205 8.283 8.370 0.197 0.000 0.463 139 V N -2.339 117.666 119.914 0.151 0.000 2.715 139 V HA 0.071 nan 4.120 nan 0.000 0.299 139 V C -1.463 174.657 176.094 0.043 0.000 1.054 139 V CA -0.391 61.974 62.300 0.108 0.000 1.077 139 V CB 0.385 32.267 31.823 0.097 0.000 0.972 139 V HN -0.879 7.401 8.190 0.149 0.000 0.484 140 R N 5.473 125.980 120.500 0.012 0.000 2.518 140 R HA 0.227 nan 4.340 nan 0.000 0.287 140 R C -1.123 175.136 176.300 -0.069 0.000 1.135 140 R CA -0.643 55.430 56.100 -0.044 0.000 0.967 140 R CB 1.588 31.878 30.300 -0.017 0.000 1.212 140 R HN 0.117 8.406 8.270 0.033 0.000 0.422 149 S N 2.591 118.246 115.700 -0.076 0.000 2.690 149 S HA 0.325 nan 4.470 nan 0.000 0.291 149 S C 1.358 175.875 174.600 -0.139 0.000 1.138 149 S CA -1.493 56.663 58.200 -0.074 0.000 1.013 149 S CB 2.696 65.861 63.200 -0.058 0.000 1.053 149 S HN -0.123 8.398 8.310 -0.090 -0.266 0.539 150 T N 3.350 117.824 114.554 -0.134 0.000 2.685 150 T HA -0.411 nan 4.350 nan 0.000 0.268 150 T C 1.544 176.090 174.700 -0.256 0.000 1.034 150 T CA 4.607 66.584 62.100 -0.205 0.000 1.149 150 T CB -0.521 68.243 68.868 -0.174 0.000 0.860 150 T HN 0.739 8.932 8.240 -0.079 0.000 0.449 151 A N 0.972 123.675 122.820 -0.196 0.000 1.873 151 A HA -0.355 nan 4.320 nan 0.000 0.218 151 A C 1.747 179.194 177.584 -0.228 0.000 1.193 151 A CA 3.317 55.238 52.037 -0.193 0.000 0.629 151 A CB -0.950 17.969 19.000 -0.135 0.000 0.826 151 A HN 0.205 8.254 8.150 -0.150 0.011 0.447 152 D N -1.064 119.207 120.400 -0.215 0.000 2.123 152 D HA -0.289 nan 4.640 nan 0.000 0.196 152 D C 2.382 178.468 176.300 -0.357 0.000 0.992 152 D CA 3.253 57.112 54.000 -0.236 0.000 0.833 152 D CB -0.447 40.237 40.800 -0.192 0.000 0.954 152 D HN -0.632 7.559 8.370 -0.181 0.071 0.455 153 L N -0.993 119.965 121.223 -0.441 0.000 1.994 153 L HA -0.371 nan 4.340 nan 0.000 0.208 153 L C 2.235 178.485 176.870 -1.034 0.000 1.071 153 L CA 3.173 57.543 54.840 -0.783 0.000 0.745 153 L CB -0.375 41.342 42.059 -0.570 0.000 0.892 153 L HN -0.303 7.630 8.230 -0.347 0.089 0.431 154 L N -2.664 118.183 121.223 -0.627 0.000 2.079 154 L HA -0.501 nan 4.340 nan 0.000 0.210 154 L C 2.728 179.413 176.870 -0.310 0.000 1.081 154 L CA 3.259 57.812 54.840 -0.478 0.000 0.752 154 L CB -0.879 40.932 42.059 -0.414 0.000 0.896 154 L HN 0.519 8.445 8.230 -0.506 0.000 0.433 155 S N -0.639 114.882 115.700 -0.298 0.000 2.345 155 S HA -0.345 nan 4.470 nan 0.000 0.220 155 S C 2.247 176.738 174.600 -0.181 0.000 1.031 155 S CA 3.736 61.820 58.200 -0.193 0.000 0.996 155 S CB -0.282 62.812 63.200 -0.177 0.000 0.882 155 S HN 0.110 8.114 8.310 -0.337 0.104 0.445 156 N N 2.037 120.562 118.700 -0.292 0.000 2.149 156 N HA -0.305 nan 4.740 nan 0.000 0.188 156 N C 2.674 178.143 175.510 -0.067 0.000 1.019 156 N CA 3.206 56.123 53.050 -0.222 0.000 0.857 156 N CB -0.254 38.032 38.487 -0.335 0.000 0.997 156 N HN 0.014 8.162 8.380 -0.387 0.000 0.426 157 Y N -1.019 119.245 120.300 -0.059 0.000 2.373 157 Y HA -0.193 nan 4.550 nan 0.000 0.293 157 Y C 1.810 177.705 175.900 -0.008 0.000 1.129 157 Y CA 1.072 59.155 58.100 -0.028 0.000 1.226 157 Y CB -1.261 37.158 38.460 -0.068 0.000 1.000 157 Y HN 0.236 8.124 8.280 -0.495 0.096 0.549 158 A N 0.099 122.981 122.820 0.103 0.000 1.930 158 A HA -0.255 nan 4.320 nan 0.000 0.217 158 A C 1.831 179.450 177.584 0.059 0.000 1.175 158 A CA 2.902 54.980 52.037 0.069 0.000 0.627 158 A CB -0.850 18.161 19.000 0.018 0.000 0.815 158 A HN -0.136 7.927 8.150 0.027 0.103 0.443 159 L N -1.364 119.887 121.223 0.047 0.000 2.044 159 L HA -0.318 nan 4.340 nan 0.000 0.205 159 L C 1.801 178.713 176.870 0.071 0.000 1.075 159 L CA 2.714 57.584 54.840 0.050 0.000 0.747 159 L CB -0.321 41.762 42.059 0.041 0.000 0.903 159 L HN -0.175 8.071 8.230 0.026 0.000 0.435 160 Q N -1.856 118.004 119.800 0.100 0.000 2.197 160 Q HA -0.482 nan 4.340 nan 0.000 0.207 160 Q C 2.747 178.792 176.000 0.074 0.000 0.984 160 Q CA 3.422 59.286 55.803 0.103 0.000 0.869 160 Q CB -0.487 28.341 28.738 0.150 0.000 0.906 160 Q HN 0.331 8.669 8.270 0.113 0.000 0.426 161 N N -0.473 118.271 118.700 0.074 0.000 2.171 161 N HA -0.175 nan 4.740 nan 0.000 0.184 161 N C 2.031 177.555 175.510 0.023 0.000 1.021 161 N CA 3.073 56.153 53.050 0.050 0.000 0.854 161 N CB -0.169 38.357 38.487 0.065 0.000 0.994 161 N HN -0.461 7.958 8.380 0.095 0.018 0.426 162 V N 2.305 122.236 119.914 0.027 0.000 2.809 162 V HA -0.222 nan 4.120 nan 0.000 0.256 162 V C 1.533 177.631 176.094 0.006 0.000 1.080 162 V CA 2.477 64.783 62.300 0.011 0.000 1.102 162 V CB -0.557 31.277 31.823 0.017 0.000 0.705 162 V HN -0.722 7.493 8.190 0.042 0.000 0.475 163 M N 0.611 120.224 119.600 0.021 0.000 2.117 163 M HA -0.420 nan 4.480 nan 0.000 0.262 163 M C 2.167 178.460 176.300 -0.011 0.000 1.065 163 M CA 4.688 60.002 55.300 0.022 0.000 1.114 163 M CB -0.251 32.378 32.600 0.048 0.000 1.361 163 M HN -0.047 8.126 8.290 0.035 0.138 0.408 164 I N -0.589 119.964 120.570 -0.029 0.000 2.202 164 I HA -0.406 nan 4.170 nan 0.000 0.242 164 I C 2.567 178.604 176.117 -0.133 0.000 1.091 164 I CA 2.378 63.616 61.300 -0.104 0.000 1.368 164 I CB -1.590 36.341 38.000 -0.115 0.000 1.058 164 I HN -0.561 7.558 8.210 -0.005 0.089 0.410 165 S N 0.362 116.011 115.700 -0.085 0.000 2.368 165 S HA -0.269 nan 4.470 nan 0.000 0.225 165 S C 2.069 176.627 174.600 -0.070 0.000 1.030 165 S CA 3.353 61.506 58.200 -0.079 0.000 0.999 165 S CB 0.018 63.189 63.200 -0.048 0.000 0.844 165 S HN -0.451 7.765 8.310 -0.056 0.060 0.459 166 I N -0.253 120.286 120.570 -0.052 0.000 2.296 166 I HA -0.268 nan 4.170 nan 0.000 0.242 166 I C 1.491 177.576 176.117 -0.054 0.000 1.087 166 I CA 2.962 64.234 61.300 -0.047 0.000 1.393 166 I CB 0.396 38.378 38.000 -0.031 0.000 1.093 166 I HN 0.097 8.170 8.210 -0.041 0.112 0.421 167 L N -2.359 118.836 121.223 -0.048 0.000 2.201 167 L HA -0.198 nan 4.340 nan 0.000 0.212 167 L C 0.190 177.027 176.870 -0.056 0.000 1.105 167 L CA 1.126 55.940 54.840 -0.042 0.000 0.775 167 L CB 0.254 42.300 42.059 -0.022 0.000 0.913 167 L HN -0.123 7.986 8.230 -0.039 0.098 0.440 168 N N -1.971 116.672 118.700 -0.095 0.000 2.688 168 N HA -0.249 nan 4.740 nan 0.000 0.258 168 N C -2.244 173.203 175.510 -0.104 0.000 1.016 168 N CA -0.156 52.815 53.050 -0.132 0.000 0.747 168 N CB -1.075 37.358 38.487 -0.091 0.000 0.895 168 N HN -0.374 7.821 8.380 -0.100 0.125 0.543 169 P HA 0.114 nan 4.420 nan 0.000 0.274 169 P C -0.687 176.661 177.300 0.081 0.000 1.246 169 P CA -0.742 62.360 63.100 0.002 0.000 0.795 169 P CB 0.755 32.492 31.700 0.061 0.000 1.006 170 V N -8.731 111.263 119.914 0.133 0.000 3.541 170 V HA 0.244 nan 4.120 nan 0.000 0.267 170 V C -0.811 175.444 176.094 0.269 0.000 1.213 170 V CA -0.427 61.981 62.300 0.179 0.000 1.149 170 V CB -0.051 31.815 31.823 0.072 0.000 0.822 170 V HN 0.311 8.551 8.190 0.083 0.000 0.462 171 A N -2.211 120.803 122.820 0.323 0.000 2.590 171 A HA 0.606 nan 4.320 nan 0.000 0.294 171 A C -2.961 174.844 177.584 0.369 0.000 1.046 171 A CA 0.451 52.651 52.037 0.272 0.000 0.684 171 A CB 2.239 21.318 19.000 0.132 0.000 1.279 171 A HN -0.685 7.586 8.150 0.293 0.055 0.415 172 S N -0.870 115.017 115.700 0.312 0.000 2.550 172 S HA 0.681 nan 4.470 nan 0.000 0.270 172 S C -2.185 172.265 174.600 -0.251 0.000 1.145 172 S CA -0.664 57.622 58.200 0.143 0.000 0.852 172 S CB 3.278 66.614 63.200 0.227 0.000 1.119 172 S HN 0.957 9.274 8.310 0.184 0.104 0.465 173 S N 2.013 117.470 115.700 -0.405 0.000 2.707 173 S HA 0.763 nan 4.470 nan 0.000 0.312 173 S C -2.052 172.406 174.600 -0.236 0.000 1.116 173 S CA -1.543 56.316 58.200 -0.568 0.000 1.078 173 S CB 0.551 63.208 63.200 -0.906 0.000 0.997 173 S HN 0.612 8.688 8.310 -0.220 0.102 0.477 174 L N 5.864 127.006 121.223 -0.135 0.000 2.334 174 L HA 0.593 nan 4.340 nan 0.000 0.272 174 L C -1.142 175.754 176.870 0.044 0.000 1.020 174 L CA -2.275 52.552 54.840 -0.022 0.000 0.812 174 L CB 1.866 43.923 42.059 -0.002 0.000 1.264 174 L HN 0.575 8.711 8.230 -0.156 0.000 0.439 175 K N 1.418 121.888 120.400 0.117 0.000 2.322 175 K HA 0.151 nan 4.320 nan 0.000 0.283 175 K C -1.037 175.748 176.600 0.309 0.000 1.042 175 K CA 0.605 56.995 56.287 0.171 0.000 0.958 175 K CB 0.965 33.570 32.500 0.175 0.000 0.984 175 K HN -0.178 8.350 8.250 0.127 -0.202 0.473 176 W N 8.286 129.572 121.300 -0.025 0.000 2.563 176 W HA 0.071 nan 4.660 nan 0.000 0.301 176 W C -2.751 173.684 176.519 -0.140 0.000 1.006 176 W CA -1.345 55.929 57.345 -0.118 0.000 1.382 176 W CB 2.240 31.592 29.460 -0.179 0.000 1.262 176 W HN 0.584 8.888 8.180 0.206 0.000 0.403 177 R N 8.823 129.130 120.500 -0.321 0.000 2.472 177 R HA 0.365 nan 4.340 nan 0.000 0.294 177 R C -1.461 174.407 176.300 -0.721 0.000 1.243 177 R CA -1.735 54.017 56.100 -0.579 0.000 1.023 177 R CB 1.574 31.732 30.300 -0.238 0.000 1.157 177 R HN -0.024 8.348 8.270 0.170 0.000 0.530 178 C N 5.750 124.242 119.300 -1.347 0.000 2.611 178 C HA 0.051 nan 4.460 nan 0.000 0.416 178 C C -1.360 173.418 174.990 -0.352 0.000 1.366 178 C CA -2.084 56.444 59.018 -0.818 0.000 1.761 178 C CB -0.790 26.390 27.740 -0.934 0.000 2.619 178 C HN 0.591 7.749 8.230 -1.786 0.000 0.606 179 P HA -0.081 nan 4.420 nan 0.000 0.264 179 P C -1.726 175.612 177.300 0.063 0.000 1.193 179 P CA 0.315 63.381 63.100 -0.056 0.000 0.763 179 P CB 0.380 32.150 31.700 0.117 0.000 0.810 180 F N 2.851 122.876 119.950 0.124 0.000 2.578 180 F HA -0.060 nan 4.527 nan 0.000 0.376 180 F C 1.073 176.977 175.800 0.173 0.000 1.085 180 F CA -2.072 55.968 58.000 0.067 0.000 1.260 180 F CB -0.782 38.192 39.000 -0.043 0.000 1.095 180 F HN 0.216 8.162 8.300 -0.589 0.000 0.573 181 P HA -0.208 nan 4.420 nan 0.000 0.224 181 P C -0.652 176.757 177.300 0.182 0.000 1.142 181 P CA 2.135 65.336 63.100 0.167 0.000 0.778 181 P CB -0.387 31.324 31.700 0.019 0.000 0.764 182 D N -4.696 115.817 120.400 0.189 0.000 2.350 182 D HA -0.021 nan 4.640 nan 0.000 0.213 182 D C 0.304 176.707 176.300 0.171 0.000 1.031 182 D CA 0.904 54.990 54.000 0.143 0.000 0.861 182 D CB -0.943 39.909 40.800 0.086 0.000 0.926 182 D HN 0.455 8.881 8.370 0.222 0.077 0.520 183 Q N -1.834 118.105 119.800 0.231 0.000 2.141 183 Q HA 0.235 nan 4.340 nan 0.000 0.248 183 Q C -1.477 174.651 176.000 0.213 0.000 0.834 183 Q CA -1.552 54.362 55.803 0.185 0.000 1.096 183 Q CB 0.133 28.966 28.738 0.159 0.000 1.189 183 Q HN -0.254 8.038 8.270 0.290 0.151 0.471 184 W N 0.687 122.028 121.300 0.068 0.000 2.181 184 W HA -0.125 nan 4.660 nan 0.000 0.335 184 W C -0.979 175.578 176.519 0.064 0.000 1.310 184 W CA 2.002 59.394 57.345 0.078 0.000 1.226 184 W CB 0.428 29.942 29.460 0.090 0.000 1.155 184 W HN -0.419 7.939 8.180 0.418 0.073 0.565 185 I N 4.078 124.435 120.570 -0.355 0.000 3.366 185 I HA 0.010 nan 4.170 nan 0.000 0.267 185 I C -0.070 175.935 176.117 -0.187 0.000 1.149 185 I CA 1.148 62.324 61.300 -0.207 0.000 1.436 185 I CB 1.167 39.030 38.000 -0.229 0.000 1.379 185 I HN -0.220 7.494 8.210 -0.826 0.000 0.460 186 K N -2.084 118.051 120.400 -0.443 0.000 2.672 186 K HA 0.159 nan 4.320 nan 0.000 0.295 186 K C -2.404 174.159 176.600 -0.062 0.000 1.042 186 K CA -1.161 55.072 56.287 -0.090 0.000 0.869 186 K CB 2.083 34.579 32.500 -0.006 0.000 1.541 186 K HN -0.697 7.029 8.250 -0.873 0.000 0.396 187 D N -0.904 119.660 120.400 0.273 0.000 2.313 187 D HA 0.400 nan 4.640 nan 0.000 0.247 187 D C -0.729 175.719 176.300 0.248 0.000 1.094 187 D CA 0.010 54.207 54.000 0.329 0.000 0.925 187 D CB 0.550 41.469 40.800 0.199 0.000 1.188 187 D HN -0.091 8.431 8.370 0.254 0.000 0.430 188 F N -2.898 117.029 119.950 -0.038 0.000 2.692 188 F HA 0.393 nan 4.527 nan 0.000 0.320 188 F C -2.936 172.714 175.800 -0.250 0.000 1.123 188 F CA -2.104 55.880 58.000 -0.028 0.000 0.961 188 F CB 1.513 40.529 39.000 0.027 0.000 1.383 188 F HN -0.324 7.749 8.300 -0.379 0.000 0.483 189 Y N -1.059 119.322 120.300 0.135 0.000 2.446 189 Y HA 0.730 nan 4.550 nan 0.000 0.338 189 Y C -0.899 175.001 175.900 -0.001 0.000 1.055 189 Y CA -1.194 56.901 58.100 -0.009 0.000 1.101 189 Y CB 2.110 40.578 38.460 0.014 0.000 1.221 189 Y HN -0.235 8.390 8.280 0.575 0.000 0.460 190 I N -3.838 116.712 120.570 -0.033 0.000 2.969 190 I HA 0.692 nan 4.170 nan 0.000 0.307 190 I C -3.015 173.045 176.117 -0.096 0.000 1.149 190 I CA -3.792 57.413 61.300 -0.158 0.000 1.008 190 I CB 2.979 40.642 38.000 -0.562 0.000 1.232 190 I HN 0.646 8.811 8.210 -0.074 0.000 0.435 191 P HA 0.036 nan 4.420 nan 0.000 0.270 191 P C -1.463 175.832 177.300 -0.008 0.000 1.223 191 P CA -0.259 62.850 63.100 0.016 0.000 0.785 191 P CB 0.384 32.118 31.700 0.056 0.000 0.923 192 H N 1.400 120.454 119.070 -0.025 0.000 2.525 192 H HA 0.098 nan 4.556 nan 0.000 0.339 192 H C -0.930 174.366 175.328 -0.055 0.000 1.109 192 H CA -0.232 55.792 56.048 -0.041 0.000 1.352 192 H CB 2.080 31.837 29.762 -0.007 0.000 1.461 192 H HN 0.033 8.427 8.280 0.190 0.000 0.533 193 G N 2.204 110.629 108.800 -0.625 0.000 2.349 193 G HA2 -0.066 nan 3.960 nan 0.000 0.294 193 G HA3 -0.066 nan 3.960 nan 0.000 0.294 193 G C -2.158 172.581 174.900 -0.268 0.000 1.380 193 G CA -0.332 44.474 45.100 -0.490 0.000 0.811 193 G HN -0.088 7.932 8.290 -0.450 0.000 0.519 194 N N 0.683 119.320 118.700 -0.105 0.000 2.442 194 N HA -0.015 nan 4.740 nan 0.000 0.265 194 N C -0.295 175.402 175.510 0.311 0.000 1.138 194 N CA -0.603 52.502 53.050 0.091 0.000 0.956 194 N CB 0.685 39.244 38.487 0.119 0.000 1.067 194 N HN 0.363 8.677 8.380 -0.111 0.000 0.474 195 K N 5.079 125.721 120.400 0.404 0.000 2.150 195 K HA 0.119 nan 4.320 nan 0.000 0.261 195 K C -1.140 175.701 176.600 0.402 0.000 1.127 195 K CA -0.843 55.681 56.287 0.395 0.000 0.989 195 K CB -0.390 32.354 32.500 0.406 0.000 1.475 195 K HN 0.560 9.026 8.250 0.360 0.000 0.391 196 M N 4.996 124.728 119.600 0.221 0.000 2.217 196 M HA 0.057 nan 4.480 nan 0.000 0.352 196 M C -1.699 174.581 176.300 -0.033 0.000 1.376 196 M CA 0.458 55.689 55.300 -0.115 0.000 1.107 196 M CB 1.031 33.615 32.600 -0.028 0.000 1.723 196 M HN 0.392 8.831 8.290 0.249 0.000 0.461 197 L N 7.368 128.554 121.223 -0.062 0.000 2.349 197 L HA 0.184 nan 4.340 nan 0.000 0.275 197 L C -1.656 175.193 176.870 -0.035 0.000 1.115 197 L CA -0.685 54.198 54.840 0.073 0.000 0.820 197 L CB 0.101 42.283 42.059 0.206 0.000 1.135 197 L HN 0.616 8.715 8.230 -0.218 0.000 0.445 198 Q N 2.692 122.462 119.800 -0.051 0.000 2.333 198 Q HA 0.464 nan 4.340 nan 0.000 0.267 198 Q C -2.013 173.866 176.000 -0.202 0.000 1.012 198 Q CA -3.518 52.178 55.803 -0.178 0.000 0.824 198 Q CB 0.824 29.510 28.738 -0.088 0.000 1.290 198 Q HN 0.353 8.631 8.270 0.013 0.000 0.449 199 P HA 0.004 nan 4.420 nan 0.000 0.278 199 P C -1.105 176.173 177.300 -0.037 0.000 1.258 199 P CA -0.353 62.559 63.100 -0.312 0.000 0.811 199 P CB 0.363 31.788 31.700 -0.459 0.000 1.063 200 F N -6.316 113.542 119.950 -0.154 0.000 2.953 200 F HA -0.465 nan 4.527 nan 0.000 0.292 200 F C -0.307 175.439 175.800 -0.091 0.000 0.747 200 F CA 0.849 58.773 58.000 -0.127 0.000 1.222 200 F CB -1.579 37.324 39.000 -0.163 0.000 1.457 200 F HN -0.546 7.574 8.300 -0.609 -0.186 0.383 201 A N -1.318 121.513 122.820 0.018 0.000 2.280 201 A HA 0.185 nan 4.320 nan 0.000 0.268 201 A C -2.098 175.491 177.584 0.008 0.000 1.111 201 A CA -1.391 50.656 52.037 0.017 0.000 0.814 201 A CB -0.061 18.942 19.000 0.006 0.000 1.093 201 A HN -0.446 7.624 8.150 -0.039 0.056 0.498 202 P HA -0.087 nan 4.420 nan 0.000 0.265 202 P C 0.648 177.943 177.300 -0.008 0.000 1.193 202 P CA 0.384 63.502 63.100 0.030 0.000 0.765 202 P CB -0.216 31.523 31.700 0.066 0.000 0.823 203 S N 3.558 119.222 115.700 -0.060 0.000 2.422 203 S HA -0.457 nan 4.470 nan 0.000 0.241 203 S C 0.224 174.522 174.600 -0.503 0.000 1.076 203 S CA 3.532 61.563 58.200 -0.283 0.000 1.066 203 S CB 0.146 63.170 63.200 -0.293 0.000 0.890 203 S HN 0.222 8.403 8.310 -0.023 0.115 0.465 204 Y N -3.403 116.946 120.300 0.082 0.000 2.698 204 Y HA 0.141 nan 4.550 nan 0.000 0.261 204 Y C -0.816 175.172 175.900 0.146 0.000 1.104 204 Y CA -1.735 56.445 58.100 0.132 0.000 1.145 204 Y CB 0.157 38.740 38.460 0.206 0.000 1.191 204 Y HN -0.646 7.694 8.280 0.157 0.034 0.564 205 S N 1.622 117.427 115.700 0.175 0.000 2.576 205 S HA 0.007 nan 4.470 nan 0.000 0.276 205 S C 0.044 174.730 174.600 0.144 0.000 1.339 205 S CA -0.475 57.814 58.200 0.149 0.000 1.039 205 S CB 0.863 64.112 63.200 0.081 0.000 0.902 205 S HN 0.027 8.311 8.310 0.093 0.082 0.516 206 A N 4.348 127.243 122.820 0.124 0.000 2.390 206 A HA 0.225 nan 4.320 nan 0.000 0.232 206 A C -0.743 176.775 177.584 -0.110 0.000 1.233 206 A CA -0.560 51.513 52.037 0.060 0.000 0.907 206 A CB 0.351 19.414 19.000 0.105 0.000 0.967 206 A HN 0.258 8.490 8.150 0.135 0.000 0.512 207 E N 0.858 121.015 120.200 -0.072 0.000 2.324 207 E HA -0.034 nan 4.350 nan 0.000 0.271 207 E C -0.811 175.746 176.600 -0.072 0.000 1.028 207 E CA 0.338 56.671 56.400 -0.111 0.000 0.890 207 E CB 0.711 30.390 29.700 -0.036 0.000 1.004 207 E HN -0.754 7.523 8.360 -0.001 0.083 0.431 208 M N 2.463 122.000 119.600 -0.105 0.000 2.704 208 M HA 0.751 nan 4.480 nan 0.000 0.284 208 M C -1.999 174.345 176.300 0.073 0.000 1.275 208 M CA -1.280 54.020 55.300 -0.001 0.000 0.811 208 M CB 4.655 37.267 32.600 0.021 0.000 1.741 208 M HN 0.547 8.623 8.290 -0.178 0.107 0.458 209 R N -3.073 117.489 120.500 0.104 0.000 2.599 209 R HA 0.691 nan 4.340 nan 0.000 0.295 209 R C -2.061 174.308 176.300 0.115 0.000 0.963 209 R CA -1.251 54.909 56.100 0.100 0.000 0.883 209 R CB 3.272 33.587 30.300 0.025 0.000 1.171 209 R HN 0.406 8.730 8.270 0.090 0.000 0.450 210 L N 4.538 125.802 121.223 0.067 0.000 2.282 210 L HA 0.387 nan 4.340 nan 0.000 0.287 210 L C -2.004 174.809 176.870 -0.095 0.000 1.075 210 L CA -0.914 53.919 54.840 -0.012 0.000 0.839 210 L CB 0.663 42.638 42.059 -0.141 0.000 1.219 210 L HN 0.181 8.451 8.230 0.067 0.000 0.434 211 L N 8.032 129.223 121.223 -0.053 0.000 2.289 211 L HA 0.547 nan 4.340 nan 0.000 0.285 211 L C -1.338 175.475 176.870 -0.095 0.000 1.049 211 L CA -0.526 54.239 54.840 -0.125 0.000 0.804 211 L CB 0.553 42.653 42.059 0.068 0.000 1.195 211 L HN 1.086 9.243 8.230 0.052 0.104 0.428 212 S N 2.878 118.494 115.700 -0.139 0.000 2.575 212 S HA 0.385 nan 4.470 nan 0.000 0.278 212 S C -1.783 172.600 174.600 -0.362 0.000 1.139 212 S CA -0.651 57.370 58.200 -0.298 0.000 0.954 212 S CB 2.889 65.810 63.200 -0.466 0.000 1.054 212 S HN 0.703 8.927 8.310 -0.145 0.000 0.483 213 I N 4.478 124.840 120.570 -0.345 0.000 2.354 213 I HA 0.169 nan 4.170 nan 0.000 0.292 213 I C -1.048 174.861 176.117 -0.346 0.000 0.989 213 I CA -1.071 60.079 61.300 -0.250 0.000 1.188 213 I CB 1.461 39.393 38.000 -0.112 0.000 1.342 213 I HN 0.303 8.340 8.210 -0.288 0.000 0.457 214 Y N 7.131 127.456 120.300 0.041 0.000 2.308 214 Y HA 0.051 nan 4.550 nan 0.000 0.329 214 Y C 1.320 177.241 175.900 0.035 0.000 1.111 214 Y CA 0.257 58.380 58.100 0.037 0.000 1.179 214 Y CB 0.965 39.443 38.460 0.030 0.000 1.201 214 Y HN 0.325 8.518 8.280 0.065 0.126 0.483 215 T N -0.510 114.154 114.554 0.184 0.000 2.881 215 T HA -0.190 nan 4.350 nan 0.000 0.270 215 T C -0.065 174.696 174.700 0.101 0.000 1.068 215 T CA 0.875 63.043 62.100 0.113 0.000 1.131 215 T CB 0.022 68.946 68.868 0.093 0.000 0.871 215 T HN 0.576 8.946 8.240 0.216 0.000 0.479 216 G N 2.313 111.187 108.800 0.124 0.000 2.563 216 G HA2 -0.127 nan 3.960 nan 0.000 0.068 216 G HA3 -0.127 nan 3.960 nan 0.000 0.068 216 G C -2.062 172.871 174.900 0.055 0.000 1.001 216 G CA 0.020 45.167 45.100 0.078 0.000 1.188 216 G HN -0.693 7.675 8.290 0.180 0.030 0.512 217 E N 2.573 122.786 120.200 0.022 0.000 2.110 217 E HA 0.087 nan 4.350 nan 0.000 0.300 217 E C -1.307 175.284 176.600 -0.016 0.000 1.278 217 E CA -0.129 56.260 56.400 -0.018 0.000 1.365 217 E CB -0.840 28.849 29.700 -0.018 0.000 1.283 217 E HN 0.238 8.613 8.360 0.026 0.000 0.490 218 N N 0.574 119.269 118.700 -0.008 0.000 3.229 218 N HA 0.279 nan 4.740 nan 0.000 0.315 218 N C -1.799 173.722 175.510 0.019 0.000 1.520 218 N CA -0.405 52.668 53.050 0.039 0.000 0.769 218 N CB 2.872 41.432 38.487 0.121 0.000 1.766 218 N HN -0.142 8.179 8.380 -0.027 0.043 0.618 219 M N -1.351 118.341 119.600 0.153 0.000 2.941 219 M HA -0.003 nan 4.480 nan 0.000 0.484 219 M C -2.191 174.222 176.300 0.189 0.000 1.892 219 M CA 0.844 56.295 55.300 0.252 0.000 0.819 219 M CB 1.087 33.712 32.600 0.042 0.000 3.421 219 M HN 0.152 8.526 8.290 0.140 0.000 0.519 220 R N -0.017 120.580 120.500 0.161 0.000 4.920 220 R HA 0.113 nan 4.340 nan 0.000 0.241 220 R C -2.653 173.718 176.300 0.117 0.000 0.971 220 R CA 0.048 56.216 56.100 0.112 0.000 1.351 220 R CB 1.450 31.816 30.300 0.110 0.000 1.208 220 R HN 0.038 8.409 8.270 0.169 0.000 0.653 221 L N 2.911 124.189 121.223 0.092 0.000 2.325 221 L HA 0.683 nan 4.340 nan 0.000 0.278 221 L C -0.896 176.073 176.870 0.166 0.000 1.023 221 L CA -1.185 53.731 54.840 0.126 0.000 0.811 221 L CB 2.093 44.233 42.059 0.135 0.000 1.249 221 L HN 0.138 8.408 8.230 0.067 0.000 0.431 222 T N -0.160 114.468 114.554 0.123 0.000 2.885 222 T HA 0.406 nan 4.350 nan 0.000 0.285 222 T C -1.103 173.529 174.700 -0.113 0.000 1.019 222 T CA -2.064 60.066 62.100 0.051 0.000 1.010 222 T CB 2.672 71.538 68.868 -0.004 0.000 1.022 222 T HN 0.820 8.997 8.240 0.072 0.106 0.466 223 R N 2.988 123.340 120.500 -0.247 0.000 2.490 223 R HA 0.591 nan 4.340 nan 0.000 0.278 223 R C -0.668 175.377 176.300 -0.426 0.000 1.069 223 R CA 0.251 55.961 56.100 -0.651 0.000 1.080 223 R CB 1.048 31.028 30.300 -0.533 0.000 1.030 223 R HN 0.234 8.447 8.270 -0.095 0.000 0.491 224 V N 6.276 125.872 119.914 -0.531 0.000 2.483 224 V HA 0.378 nan 4.120 nan 0.000 0.297 224 V C -1.264 174.779 176.094 -0.085 0.000 1.027 224 V CA -0.957 61.145 62.300 -0.330 0.000 0.855 224 V CB 1.746 33.197 31.823 -0.619 0.000 0.995 224 V HN 0.476 8.225 8.190 -0.735 0.000 0.424 225 T N 1.792 116.316 114.554 -0.050 0.000 2.938 225 T HA 0.623 nan 4.350 nan 0.000 0.285 225 T C 0.110 174.446 174.700 -0.607 0.000 1.028 225 T CA -2.108 59.947 62.100 -0.074 0.000 1.005 225 T CB 3.152 71.956 68.868 -0.107 0.000 1.157 225 T HN 0.300 8.820 8.240 -0.097 -0.338 0.550 226 K N 0.527 120.329 120.400 -0.997 0.000 2.209 226 K HA -0.344 nan 4.320 nan 0.000 0.204 226 K C 1.872 178.099 176.600 -0.621 0.000 1.048 226 K CA 3.591 59.054 56.287 -1.373 0.000 0.940 226 K CB -0.236 31.622 32.500 -1.069 0.000 0.729 226 K HN 0.603 8.494 8.250 -0.597 0.000 0.451 227 S N -1.497 113.976 115.700 -0.379 0.000 2.383 227 S HA -0.222 nan 4.470 nan 0.000 0.227 227 S C 2.010 176.491 174.600 -0.198 0.000 1.026 227 S CA 3.484 61.551 58.200 -0.222 0.000 0.981 227 S CB -0.742 62.366 63.200 -0.153 0.000 0.818 227 S HN 0.037 8.114 8.310 -0.348 0.025 0.472 228 D N 1.992 122.265 120.400 -0.211 0.000 2.097 228 D HA -0.196 nan 4.640 nan 0.000 0.197 228 D C 1.815 178.071 176.300 -0.074 0.000 0.984 228 D CA 3.188 57.094 54.000 -0.157 0.000 0.826 228 D CB -0.164 40.598 40.800 -0.064 0.000 0.973 228 D HN -0.822 7.298 8.370 -0.248 0.101 0.460 229 A N -0.163 122.583 122.820 -0.123 0.000 1.917 229 A HA -0.298 nan 4.320 nan 0.000 0.219 229 A C 2.371 179.984 177.584 0.048 0.000 1.182 229 A CA 3.287 55.324 52.037 -0.000 0.000 0.633 229 A CB -0.607 18.196 19.000 -0.329 0.000 0.819 229 A HN 0.100 7.978 8.150 -0.352 0.061 0.448 230 V N -1.024 118.855 119.914 -0.059 0.000 2.358 230 V HA -0.467 nan 4.120 nan 0.000 0.246 230 V C 1.740 177.852 176.094 0.030 0.000 1.047 230 V CA 4.469 66.761 62.300 -0.012 0.000 1.035 230 V CB -0.924 30.866 31.823 -0.056 0.000 0.658 230 V HN -0.150 7.850 8.190 -0.159 0.094 0.452 231 N N 0.065 118.752 118.700 -0.021 0.000 2.069 231 N HA -0.348 nan 4.740 nan 0.000 0.191 231 N C 1.447 177.022 175.510 0.108 0.000 1.031 231 N CA 3.282 56.322 53.050 -0.017 0.000 0.852 231 N CB -0.037 38.377 38.487 -0.120 0.000 1.018 231 N HN -0.502 7.750 8.380 -0.072 0.085 0.423 232 Y N -1.085 119.305 120.300 0.150 0.000 2.070 232 Y HA -0.481 nan 4.550 nan 0.000 0.280 232 Y C 2.009 178.029 175.900 0.200 0.000 1.148 232 Y CA 3.721 61.923 58.100 0.171 0.000 1.125 232 Y CB -0.420 37.991 38.460 -0.082 0.000 0.975 232 Y HN 0.109 8.408 8.280 0.032 0.000 0.492 233 E N -1.105 119.281 120.200 0.309 0.000 2.065 233 E HA -0.556 nan 4.350 nan 0.000 0.201 233 E C 2.379 179.143 176.600 0.274 0.000 1.016 233 E CA 3.399 59.939 56.400 0.234 0.000 0.818 233 E CB -0.281 29.497 29.700 0.129 0.000 0.749 233 E HN -0.490 8.040 8.360 0.284 0.000 0.453 234 K N -1.083 119.449 120.400 0.220 0.000 1.991 234 K HA -0.310 nan 4.320 nan 0.000 0.212 234 K C 3.145 179.893 176.600 0.246 0.000 1.049 234 K CA 2.924 59.335 56.287 0.208 0.000 0.932 234 K CB -0.272 32.291 32.500 0.105 0.000 0.717 234 K HN -0.152 8.204 8.250 0.177 0.000 0.441 235 K N -0.159 120.367 120.400 0.210 0.000 1.985 235 K HA -0.297 nan 4.320 nan 0.000 0.210 235 K C 2.540 179.281 176.600 0.234 0.000 1.047 235 K CA 2.840 59.210 56.287 0.138 0.000 0.932 235 K CB -0.265 32.216 32.500 -0.032 0.000 0.716 235 K HN -0.002 8.375 8.250 0.211 0.000 0.439 236 M N -1.590 118.232 119.600 0.370 0.000 2.108 236 M HA -0.319 nan 4.480 nan 0.000 0.261 236 M C 2.332 178.808 176.300 0.292 0.000 1.066 236 M CA 2.136 57.636 55.300 0.333 0.000 1.107 236 M CB -1.201 31.612 32.600 0.355 0.000 1.356 236 M HN 0.290 8.861 8.290 0.470 0.000 0.406 237 Y N 0.403 120.854 120.300 0.253 0.000 2.145 237 Y HA -0.488 nan 4.550 nan 0.000 0.286 237 Y C 1.503 177.538 175.900 0.226 0.000 1.145 237 Y CA 4.278 62.548 58.100 0.283 0.000 1.148 237 Y CB -0.392 38.251 38.460 0.305 0.000 0.981 237 Y HN 0.057 8.620 8.280 0.473 0.000 0.507 238 Y N -0.319 120.004 120.300 0.039 0.000 2.128 238 Y HA -0.501 nan 4.550 nan 0.000 0.284 238 Y C 1.720 177.544 175.900 -0.127 0.000 1.154 238 Y CA 3.176 61.228 58.100 -0.080 0.000 1.149 238 Y CB -0.291 38.143 38.460 -0.043 0.000 0.976 238 Y HN -0.537 7.984 8.280 0.402 0.000 0.505 239 L N -1.350 119.689 121.223 -0.307 0.000 2.012 239 L HA -0.551 nan 4.340 nan 0.000 0.210 239 L C 1.504 178.182 176.870 -0.320 0.000 1.073 239 L CA 3.706 58.325 54.840 -0.368 0.000 0.748 239 L CB -0.212 41.779 42.059 -0.113 0.000 0.891 239 L HN 0.061 8.287 8.230 -0.007 0.000 0.431 240 N N -1.877 116.697 118.700 -0.210 0.000 2.135 240 N HA -0.307 nan 4.740 nan 0.000 0.186 240 N C 1.783 177.087 175.510 -0.344 0.000 1.027 240 N CA 2.781 55.682 53.050 -0.250 0.000 0.849 240 N CB -0.370 38.030 38.487 -0.145 0.000 1.002 240 N HN -0.195 8.116 8.380 -0.114 0.000 0.425 241 K N -1.662 118.549 120.400 -0.315 0.000 2.025 241 K HA -0.181 nan 4.320 nan 0.000 0.207 241 K C 1.213 177.668 176.600 -0.241 0.000 1.049 241 K CA 2.517 58.664 56.287 -0.232 0.000 0.933 241 K CB 0.501 32.719 32.500 -0.470 0.000 0.714 241 K HN -0.343 7.685 8.250 -0.370 0.000 0.438 242 I N -3.514 116.844 120.570 -0.353 0.000 3.284 242 I HA -0.109 nan 4.170 nan 0.000 0.231 242 I C 2.006 177.890 176.117 -0.390 0.000 1.041 242 I CA 0.925 62.025 61.300 -0.334 0.000 1.478 242 I CB -0.446 37.343 38.000 -0.353 0.000 1.340 242 I HN -0.325 7.609 8.210 -0.459 0.000 0.449 243 V N 0.979 120.542 119.914 -0.586 0.000 2.226 243 V HA -0.541 nan 4.120 nan 0.000 0.254 243 V C 2.732 178.463 176.094 -0.605 0.000 1.065 243 V CA 4.287 66.225 62.300 -0.603 0.000 1.039 243 V CB -1.051 30.381 31.823 -0.652 0.000 0.653 243 V HN -0.446 7.221 8.190 -0.872 0.000 0.450 244 R N -3.564 116.666 120.500 -0.451 0.000 2.152 244 R HA -0.325 nan 4.340 nan 0.000 0.232 244 R C 1.863 178.102 176.300 -0.102 0.000 1.117 244 R CA 2.758 58.769 56.100 -0.149 0.000 0.981 244 R CB -0.311 29.950 30.300 -0.065 0.000 0.870 244 R HN 0.358 8.365 8.270 -0.437 0.000 0.451 245 N N -3.254 115.345 118.700 -0.167 0.000 2.413 245 N HA -0.009 nan 4.740 nan 0.000 0.207 245 N C -0.598 174.865 175.510 -0.078 0.000 1.206 245 N CA 0.018 53.003 53.050 -0.108 0.000 0.832 245 N CB -0.402 38.016 38.487 -0.114 0.000 1.037 245 N HN -0.355 7.756 8.380 -0.236 0.128 0.467 246 K N -1.979 118.375 120.400 -0.077 0.000 2.313 246 K HA 0.224 nan 4.320 nan 0.000 0.235 246 K C -2.089 174.510 176.600 -0.001 0.000 1.035 246 K CA -1.438 54.814 56.287 -0.059 0.000 0.868 246 K CB 3.716 36.146 32.500 -0.116 0.000 1.232 246 K HN -0.660 7.422 8.250 -0.086 0.117 0.459 247 V N -0.005 119.901 119.914 -0.014 0.000 2.444 247 V HA 0.525 nan 4.120 nan 0.000 0.294 247 V C -0.997 175.072 176.094 -0.041 0.000 1.022 247 V CA -1.117 61.187 62.300 0.007 0.000 0.850 247 V CB 1.720 33.549 31.823 0.009 0.000 0.992 247 V HN 0.123 8.291 8.190 -0.037 0.000 0.426 248 V N 7.491 127.360 119.914 -0.074 0.000 2.356 248 V HA 0.276 nan 4.120 nan 0.000 0.258 248 V C 1.508 177.544 176.094 -0.096 0.000 1.065 248 V CA 0.061 62.239 62.300 -0.203 0.000 0.935 248 V CB -1.533 29.927 31.823 -0.605 0.000 1.061 248 V HN 0.701 8.875 8.190 -0.027 0.000 0.484 249 V N 4.434 124.300 119.914 -0.079 0.000 2.759 249 V HA -0.234 nan 4.120 nan 0.000 0.256 249 V C 0.358 176.433 176.094 -0.031 0.000 1.080 249 V CA 3.091 65.367 62.300 -0.040 0.000 1.101 249 V CB -0.587 31.213 31.823 -0.038 0.000 0.698 249 V HN 0.643 8.775 8.190 -0.097 0.000 0.477 250 N N -2.066 116.600 118.700 -0.056 0.000 2.322 250 N HA -0.090 nan 4.740 nan 0.000 0.194 250 N C -0.914 174.622 175.510 0.043 0.000 1.126 250 N CA 0.063 53.101 53.050 -0.021 0.000 0.845 250 N CB 0.491 38.959 38.487 -0.031 0.000 0.976 250 N HN -0.110 8.173 8.380 -0.110 0.031 0.475 251 F N 2.873 122.717 119.950 -0.178 0.000 2.375 251 F HA 0.049 nan 4.527 nan 0.000 0.362 251 F C -1.772 174.016 175.800 -0.020 0.000 1.129 251 F CA -1.813 56.108 58.000 -0.133 0.000 1.154 251 F CB 0.368 39.238 39.000 -0.217 0.000 1.205 251 F HN -0.645 7.511 8.300 0.066 0.184 0.513 252 D N 9.516 129.812 120.400 -0.173 0.000 2.402 252 D HA -0.003 nan 4.640 nan 0.000 0.235 252 D C -1.772 174.295 176.300 -0.388 0.000 1.226 252 D CA -0.119 53.751 54.000 -0.217 0.000 0.918 252 D CB -0.010 40.743 40.800 -0.078 0.000 1.043 252 D HN 0.281 8.646 8.370 -0.009 0.000 0.506 253 Y N 4.805 124.713 120.300 -0.654 0.000 2.583 253 Y HA 0.082 nan 4.550 nan 0.000 0.330 253 Y C -2.041 173.642 175.900 -0.361 0.000 1.185 253 Y CA -1.135 56.593 58.100 -0.620 0.000 1.107 253 Y CB 1.178 38.859 38.460 -1.297 0.000 1.344 253 Y HN -0.636 7.434 8.280 -0.350 0.000 0.463 254 P HA -0.218 nan 4.420 nan 0.000 0.217 254 P C -1.633 175.542 177.300 -0.210 0.000 1.162 254 P CA 1.716 64.611 63.100 -0.342 0.000 0.901 254 P CB 0.359 31.801 31.700 -0.431 0.000 0.793 255 N N -2.080 116.526 118.700 -0.156 0.000 2.421 255 N HA 0.091 nan 4.740 nan 0.000 0.285 255 N C -1.064 174.531 175.510 0.141 0.000 1.027 255 N CA -0.146 52.807 53.050 -0.162 0.000 0.918 255 N CB 1.101 39.171 38.487 -0.694 0.000 1.152 255 N HN 0.133 8.446 8.380 -0.111 0.000 0.485 256 Q N 0.131 120.020 119.800 0.147 0.000 2.172 256 Q HA 0.062 nan 4.340 nan 0.000 0.217 256 Q C -1.031 175.134 176.000 0.274 0.000 0.832 256 Q CA -0.339 55.667 55.803 0.339 0.000 1.010 256 Q CB 0.802 29.640 28.738 0.168 0.000 1.133 256 Q HN 0.428 8.721 8.270 0.039 0.000 0.489 257 E N -0.217 120.137 120.200 0.257 0.000 2.383 257 E HA -0.061 nan 4.350 nan 0.000 0.264 257 E C 0.269 177.042 176.600 0.289 0.000 1.050 257 E CA 0.334 56.886 56.400 0.253 0.000 0.896 257 E CB -0.008 29.872 29.700 0.300 0.000 0.982 257 E HN -0.231 8.191 8.360 0.208 0.064 0.424 258 Y N 5.573 125.912 120.300 0.065 0.000 2.139 258 Y HA -0.511 nan 4.550 nan 0.000 0.282 258 Y C 1.157 177.089 175.900 0.054 0.000 1.179 258 Y CA 4.477 62.600 58.100 0.040 0.000 1.161 258 Y CB 0.212 38.650 38.460 -0.037 0.000 0.970 258 Y HN -0.209 8.226 8.280 0.259 0.000 0.511 259 D N -1.874 118.454 120.400 -0.120 0.000 2.178 259 D HA -0.336 nan 4.640 nan 0.000 0.201 259 D C 2.342 178.449 176.300 -0.322 0.000 0.980 259 D CA 3.454 57.173 54.000 -0.467 0.000 0.842 259 D CB -0.789 39.437 40.800 -0.957 0.000 0.948 259 D HN 0.327 8.706 8.370 0.038 0.014 0.472 260 Y N -0.422 119.889 120.300 0.018 0.000 2.286 260 Y HA -0.321 nan 4.550 nan 0.000 0.293 260 Y C 2.018 177.989 175.900 0.118 0.000 1.124 260 Y CA 3.282 61.554 58.100 0.287 0.000 1.178 260 Y CB 0.003 38.749 38.460 0.477 0.000 1.010 260 Y HN -0.566 7.818 8.280 0.364 0.115 0.536 261 F N 0.536 120.331 119.950 -0.258 0.000 2.134 261 F HA -0.459 nan 4.527 nan 0.000 0.299 261 F C 1.599 177.111 175.800 -0.479 0.000 1.097 261 F CA 2.705 60.132 58.000 -0.954 0.000 1.264 261 F CB -0.098 38.344 39.000 -0.930 0.000 1.001 261 F HN -0.143 8.177 8.300 0.161 0.076 0.479 262 H N -0.197 118.471 119.070 -0.670 0.000 2.357 262 H HA -0.330 nan 4.556 nan 0.000 0.301 262 H C 2.336 177.488 175.328 -0.293 0.000 1.082 262 H CA 2.450 58.080 56.048 -0.696 0.000 1.342 262 H CB 0.750 30.041 29.762 -0.786 0.000 1.389 262 H HN 0.212 8.063 8.280 -0.388 0.197 0.511 263 M N -0.223 119.365 119.600 -0.020 0.000 2.296 263 M HA -0.399 nan 4.480 nan 0.000 0.265 263 M C 1.103 177.464 176.300 0.101 0.000 1.064 263 M CA 3.032 58.361 55.300 0.048 0.000 1.109 263 M CB -0.043 32.676 32.600 0.199 0.000 1.396 263 M HN 0.047 8.143 8.290 -0.020 0.182 0.430 264 Y N 1.041 121.340 120.300 -0.001 0.000 2.314 264 Y HA -0.351 nan 4.550 nan 0.000 0.293 264 Y C 1.075 176.951 175.900 -0.040 0.000 1.129 264 Y CA 4.223 62.308 58.100 -0.025 0.000 1.201 264 Y CB -0.031 38.444 38.460 0.024 0.000 0.999 264 Y HN -0.153 8.139 8.280 0.214 0.117 0.541 265 F N -4.287 115.665 119.950 0.003 0.000 2.558 265 F HA -0.186 nan 4.527 nan 0.000 0.298 265 F C 0.728 176.494 175.800 -0.057 0.000 1.119 265 F CA 2.704 60.675 58.000 -0.050 0.000 1.451 265 F CB -0.128 38.745 39.000 -0.212 0.000 1.091 265 F HN -0.929 7.505 8.300 0.421 0.118 0.563 266 M N -2.046 117.596 119.600 0.069 0.000 2.276 266 M HA -0.174 nan 4.480 nan 0.000 0.262 266 M C 1.764 178.105 176.300 0.068 0.000 1.098 266 M CA 3.595 58.889 55.300 -0.011 0.000 1.167 266 M CB 0.823 33.334 32.600 -0.148 0.000 1.337 266 M HN -0.722 7.454 8.290 0.081 0.163 0.446 267 L N -2.929 118.293 121.223 -0.002 0.000 2.265 267 L HA -0.299 nan 4.340 nan 0.000 0.215 267 L C 2.260 179.070 176.870 -0.100 0.000 1.117 267 L CA 2.578 57.394 54.840 -0.039 0.000 0.782 267 L CB -0.783 41.234 42.059 -0.070 0.000 0.914 267 L HN 0.559 8.666 8.230 -0.009 0.118 0.441 268 R N -2.971 117.438 120.500 -0.152 0.000 2.313 268 R HA -0.051 nan 4.340 nan 0.000 0.199 268 R C 1.357 177.588 176.300 -0.114 0.000 0.958 268 R CA 1.834 57.820 56.100 -0.191 0.000 1.047 268 R CB -0.667 29.467 30.300 -0.277 0.000 0.955 268 R HN -0.602 7.551 8.270 -0.134 0.036 0.481 269 T N -4.499 110.030 114.554 -0.042 0.000 3.044 269 T HA 0.101 nan 4.350 nan 0.000 0.250 269 T C -0.439 174.118 174.700 -0.239 0.000 1.081 269 T CA 0.284 62.340 62.100 -0.072 0.000 1.040 269 T CB 0.734 69.669 68.868 0.112 0.000 0.962 269 T HN -0.268 7.919 8.240 0.018 0.063 0.506 270 V N 3.414 123.251 119.914 -0.130 0.000 2.583 270 V HA 0.237 nan 4.120 nan 0.000 0.287 270 V C -1.689 174.341 176.094 -0.107 0.000 1.051 270 V CA -1.379 60.867 62.300 -0.090 0.000 1.010 270 V CB 0.918 32.762 31.823 0.035 0.000 0.988 270 V HN -0.797 7.305 8.190 -0.064 0.050 0.478 271 Y N 6.363 126.786 120.300 0.205 0.000 2.307 271 Y HA 0.155 nan 4.550 nan 0.000 0.324 271 Y C -1.030 174.959 175.900 0.149 0.000 1.238 271 Y CA -0.277 57.918 58.100 0.158 0.000 1.280 271 Y CB 1.134 39.672 38.460 0.131 0.000 1.248 271 Y HN -0.187 8.265 8.280 0.287 0.000 0.508 272 C N 1.541 120.994 119.300 0.255 0.000 2.898 272 C HA 0.278 nan 4.460 nan 0.000 0.304 272 C C -0.303 174.707 174.990 0.033 0.000 1.237 272 C CA -1.931 57.166 59.018 0.132 0.000 1.529 272 C CB 1.886 29.783 27.740 0.261 0.000 2.021 272 C HN 0.600 8.995 8.230 0.275 0.000 0.474 273 N N 0.552 119.215 118.700 -0.061 0.000 2.461 273 N HA -0.082 nan 4.740 nan 0.000 0.188 273 N C -0.540 174.888 175.510 -0.137 0.000 1.134 273 N CA 1.610 54.605 53.050 -0.092 0.000 0.878 273 N CB 0.214 38.633 38.487 -0.113 0.000 0.972 273 N HN 0.325 8.650 8.380 -0.092 0.000 0.456 274 K N -0.251 120.025 120.400 -0.206 0.000 2.123 274 K HA 0.148 nan 4.320 nan 0.000 0.248 274 K C -1.268 175.024 176.600 -0.512 0.000 0.969 274 K CA -0.804 55.234 56.287 -0.415 0.000 0.882 274 K CB 1.640 33.739 32.500 -0.668 0.000 1.080 274 K HN -0.615 7.476 8.250 -0.145 0.072 0.441 275 T N 2.289 116.510 114.554 -0.555 0.000 2.845 275 T HA 0.249 nan 4.350 nan 0.000 0.288 275 T C -0.815 173.506 174.700 -0.632 0.000 0.980 275 T CA -0.108 61.747 62.100 -0.408 0.000 1.071 275 T CB 0.235 68.967 68.868 -0.227 0.000 0.941 275 T HN 0.026 7.952 8.240 -0.523 0.000 0.487 276 F N 4.183 124.085 119.950 -0.079 0.000 2.547 276 F HA 0.320 nan 4.527 nan 0.000 0.316 276 F C -0.746 175.036 175.800 -0.031 0.000 1.121 276 F CA -3.531 54.428 58.000 -0.069 0.000 0.911 276 F CB 1.769 40.722 39.000 -0.078 0.000 1.179 276 F HN 0.076 8.404 8.300 0.045 0.000 0.443 277 P HA -0.003 nan 4.420 nan 0.000 0.221 277 P C -1.256 176.101 177.300 0.095 0.000 1.150 277 P CA 0.850 64.011 63.100 0.102 0.000 0.800 277 P CB 0.459 32.209 31.700 0.082 0.000 0.787 278 T N -6.682 107.936 114.554 0.107 0.000 2.864 278 T HA 0.103 nan 4.350 nan 0.000 0.299 278 T C 0.684 175.406 174.700 0.037 0.000 1.166 278 T CA -1.235 60.909 62.100 0.073 0.000 1.007 278 T CB 3.339 72.252 68.868 0.075 0.000 1.219 278 T HN -0.585 7.740 8.240 0.141 0.000 0.506 279 T N 2.936 117.501 114.554 0.019 0.000 2.674 279 T HA -0.215 nan 4.350 nan 0.000 0.265 279 T C 1.488 176.116 174.700 -0.119 0.000 1.039 279 T CA 4.219 66.279 62.100 -0.065 0.000 1.150 279 T CB -0.091 68.755 68.868 -0.037 0.000 0.864 279 T HN 0.257 8.524 8.240 0.045 0.000 0.427 280 K N 1.759 122.196 120.400 0.062 0.000 2.113 280 K HA -0.396 nan 4.320 nan 0.000 0.208 280 K C 1.667 178.306 176.600 0.066 0.000 1.047 280 K CA 3.025 59.420 56.287 0.180 0.000 0.928 280 K CB -0.388 32.310 32.500 0.329 0.000 0.716 280 K HN 0.086 8.424 8.250 0.146 0.000 0.446 281 A N -1.147 121.675 122.820 0.003 0.000 1.851 281 A HA -0.312 nan 4.320 nan 0.000 0.216 281 A C 1.736 179.126 177.584 -0.322 0.000 1.195 281 A CA 3.284 55.292 52.037 -0.048 0.000 0.622 281 A CB -0.957 18.073 19.000 0.049 0.000 0.831 281 A HN -0.214 7.857 8.150 0.029 0.097 0.444 282 K N -1.517 118.539 120.400 -0.572 0.000 2.032 282 K HA -0.347 nan 4.320 nan 0.000 0.209 282 K C 2.096 178.432 176.600 -0.439 0.000 1.048 282 K CA 3.345 59.035 56.287 -0.996 0.000 0.927 282 K CB 0.097 32.252 32.500 -0.576 0.000 0.712 282 K HN -0.642 7.408 8.250 -0.334 0.000 0.441 283 V N -0.061 119.679 119.914 -0.291 0.000 2.252 283 V HA -0.444 nan 4.120 nan 0.000 0.249 283 V C 2.088 178.192 176.094 0.017 0.000 1.056 283 V CA 4.527 66.709 62.300 -0.197 0.000 1.022 283 V CB -0.784 30.751 31.823 -0.479 0.000 0.641 283 V HN 0.298 8.297 8.190 -0.317 0.000 0.445 284 L N -1.736 119.541 121.223 0.091 0.000 2.043 284 L HA -0.490 nan 4.340 nan 0.000 0.212 284 L C 2.162 179.055 176.870 0.038 0.000 1.075 284 L CA 3.202 58.096 54.840 0.090 0.000 0.752 284 L CB -0.409 41.667 42.059 0.029 0.000 0.891 284 L HN -0.067 8.092 8.230 0.060 0.107 0.432 285 F N -0.169 119.691 119.950 -0.150 0.000 2.075 285 F HA -0.425 nan 4.527 nan 0.000 0.297 285 F C 1.593 177.389 175.800 -0.007 0.000 1.113 285 F CA 4.173 62.121 58.000 -0.086 0.000 1.218 285 F CB 0.286 39.163 39.000 -0.205 0.000 0.984 285 F HN -0.366 7.845 8.300 0.003 0.090 0.472 286 L N -1.490 119.855 121.223 0.204 0.000 1.989 286 L HA -0.590 nan 4.340 nan 0.000 0.211 286 L C 1.801 178.704 176.870 0.056 0.000 1.071 286 L CA 3.701 58.646 54.840 0.175 0.000 0.749 286 L CB -0.362 41.785 42.059 0.146 0.000 0.890 286 L HN 0.518 8.844 8.230 0.160 0.000 0.431 287 Q N -1.662 118.155 119.800 0.029 0.000 2.135 287 Q HA -0.507 nan 4.340 nan 0.000 0.204 287 Q C 2.362 178.332 176.000 -0.049 0.000 0.981 287 Q CA 3.596 59.399 55.803 -0.001 0.000 0.856 287 Q CB -0.265 28.448 28.738 -0.042 0.000 0.902 287 Q HN 0.124 8.416 8.270 0.036 0.000 0.425 288 Q N -0.630 119.108 119.800 -0.102 0.000 1.993 288 Q HA -0.380 nan 4.340 nan 0.000 0.202 288 Q C 2.550 178.523 176.000 -0.045 0.000 0.984 288 Q CA 3.328 59.064 55.803 -0.112 0.000 0.837 288 Q CB -0.073 28.556 28.738 -0.183 0.000 0.902 288 Q HN -0.231 7.891 8.270 -0.094 0.092 0.423 289 S N 0.431 116.060 115.700 -0.119 0.000 2.370 289 S HA -0.351 nan 4.470 nan 0.000 0.226 289 S C 2.451 177.119 174.600 0.114 0.000 1.033 289 S CA 3.435 61.642 58.200 0.012 0.000 1.011 289 S CB -0.223 62.995 63.200 0.030 0.000 0.852 289 S HN -0.109 8.058 8.310 -0.238 0.000 0.457 290 I N 2.903 123.449 120.570 -0.041 0.000 2.127 290 I HA -0.527 nan 4.170 nan 0.000 0.241 290 I C 2.018 178.142 176.117 0.013 0.000 1.075 290 I CA 3.937 65.067 61.300 -0.282 0.000 1.334 290 I CB -0.261 37.587 38.000 -0.253 0.000 1.040 290 I HN -0.011 8.194 8.210 -0.009 0.000 0.405 291 F N -0.660 119.222 119.950 -0.113 0.000 2.095 291 F HA -0.416 nan 4.527 nan 0.000 0.298 291 F C 2.325 178.096 175.800 -0.049 0.000 1.104 291 F CA 3.996 61.951 58.000 -0.074 0.000 1.232 291 F CB -0.746 38.230 39.000 -0.040 0.000 0.987 291 F HN -0.147 8.444 8.300 0.485 0.000 0.475 292 R N -2.090 118.510 120.500 0.167 0.000 2.081 292 R HA -0.324 nan 4.340 nan 0.000 0.235 292 R C 3.104 179.434 176.300 0.050 0.000 1.131 292 R CA 2.382 58.533 56.100 0.086 0.000 0.960 292 R CB -0.783 29.560 30.300 0.073 0.000 0.856 292 R HN 0.273 8.656 8.270 0.189 0.000 0.436 293 F N 2.099 122.037 119.950 -0.019 0.000 2.134 293 F HA -0.251 nan 4.527 nan 0.000 0.299 293 F C 0.936 176.669 175.800 -0.111 0.000 1.097 293 F CA 3.016 61.007 58.000 -0.015 0.000 1.264 293 F CB 0.247 39.305 39.000 0.097 0.000 1.001 293 F HN -0.168 8.289 8.300 0.262 0.000 0.479 294 L N -1.884 119.175 121.223 -0.272 0.000 2.591 294 L HA 0.009 nan 4.340 nan 0.000 0.228 294 L C -0.293 176.300 176.870 -0.462 0.000 1.133 294 L CA 0.018 54.581 54.840 -0.461 0.000 0.880 294 L CB 0.180 42.088 42.059 -0.252 0.000 1.033 294 L HN -0.263 7.964 8.230 -0.004 0.000 0.450 295 N N -3.428 115.091 118.700 -0.303 0.000 2.741 295 N HA -0.395 nan 4.740 nan 0.000 0.251 295 N C -0.478 174.958 175.510 -0.124 0.000 1.112 295 N CA 1.688 54.616 53.050 -0.204 0.000 0.750 295 N CB -0.559 37.772 38.487 -0.260 0.000 1.119 295 N HN -0.504 7.530 8.380 -0.232 0.207 0.561 296 I N 0.501 120.991 120.570 -0.133 0.000 2.315 296 I HA 0.270 nan 4.170 nan 0.000 0.291 296 I C -1.005 175.174 176.117 0.105 0.000 1.006 296 I CA -2.442 58.796 61.300 -0.103 0.000 1.265 296 I CB 0.708 38.446 38.000 -0.436 0.000 1.387 296 I HN -0.004 8.067 8.210 -0.170 0.037 0.475 297 P HA 0.000 nan 4.420 nan 0.000 0.216 297 P CA 0.000 63.217 63.100 0.196 0.000 0.800 297 P CB 0.000 31.769 31.700 0.115 0.000 0.726