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 2z3p_1_B DATA FIRST_RESID 2 DATA SEQUENCE RLVQLSRHSI AFPSPEGALR EPNGLLALGG DLSPARLLMA YQRGIFPWFS DATA SEQUENCE PGDPILWWSP DPRAVLWPES LHISRSMKRF HKRSPYRVTM NYAFGQVIEG DATA SEQUENCE CASDREEGTW ITRGVVEAYH RLHELGHAHS IEVWREDELV GGMYGVAQGT DATA SEQUENCE LFCGESMFSR MENASKTALL VFCEEFIGHG GKLIDCQVLN DHTASLGACE DATA SEQUENCE IPRRDYLNYL NQMRLGRLPN NFWVPRCLFS P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.280 176.300 -0.033 0.000 0.893 2 R CA 0.000 56.085 56.100 -0.025 0.000 0.921 2 R CB 0.000 30.285 30.300 -0.024 0.000 0.687 3 L N 3.351 124.550 121.223 -0.041 0.000 3.601 3 L HA -0.129 4.212 4.340 0.001 0.000 0.543 3 L C -1.008 175.833 176.870 -0.048 0.000 1.014 3 L CA 0.649 55.457 54.840 -0.054 0.000 0.982 3 L CB -0.781 41.242 42.059 -0.060 0.000 0.949 3 L HN 0.253 nan 8.230 nan 0.000 0.673 4 V N 5.299 125.185 119.914 -0.046 0.000 2.614 4 V HA 0.182 4.302 4.120 0.001 0.000 0.291 4 V C 0.781 176.841 176.094 -0.056 0.000 1.049 4 V CA -0.363 61.906 62.300 -0.052 0.000 1.038 4 V CB 1.356 33.144 31.823 -0.058 0.000 0.980 4 V HN 0.700 nan 8.190 nan 0.000 0.481 5 Q N 4.096 123.858 119.800 -0.063 0.000 2.340 5 Q HA 0.452 4.793 4.340 0.001 0.000 0.259 5 Q C -0.624 175.317 176.000 -0.098 0.000 0.964 5 Q CA -0.337 55.427 55.803 -0.064 0.000 0.900 5 Q CB 1.408 30.111 28.738 -0.058 0.000 1.228 5 Q HN 0.629 nan 8.270 nan 0.000 0.449 6 L N 1.384 122.539 121.223 -0.112 0.000 2.482 6 L HA 0.429 4.769 4.340 0.001 0.000 0.242 6 L C 0.705 177.481 176.870 -0.156 0.000 1.210 6 L CA -0.228 54.505 54.840 -0.178 0.000 0.819 6 L CB 0.569 42.483 42.059 -0.242 0.000 1.203 6 L HN 0.687 nan 8.230 nan 0.000 0.495 7 S N -1.351 114.235 115.700 -0.189 0.000 2.643 7 S HA 0.347 4.817 4.470 0.001 0.000 0.270 7 S C 0.035 174.528 174.600 -0.178 0.000 1.166 7 S CA -0.948 57.126 58.200 -0.209 0.000 0.815 7 S CB 1.805 64.819 63.200 -0.310 0.000 1.139 7 S HN 0.555 nan 8.310 nan 0.000 0.472 8 R N -0.285 120.113 120.500 -0.170 0.000 2.189 8 R HA 0.097 4.437 4.340 0.001 0.000 0.218 8 R C 1.623 177.962 176.300 0.065 0.000 1.074 8 R CA 1.428 57.502 56.100 -0.044 0.000 0.991 8 R CB -0.541 29.761 30.300 0.004 0.000 0.883 8 R HN 0.838 nan 8.270 nan 0.000 0.457 9 H N -1.988 117.039 119.070 -0.071 0.000 2.521 9 H HA 0.068 4.625 4.556 0.001 0.000 0.286 9 H C 0.171 175.446 175.328 -0.087 0.000 1.034 9 H CA 0.294 56.300 56.048 -0.069 0.000 1.278 9 H CB 0.345 30.071 29.762 -0.061 0.000 1.386 9 H HN -0.014 nan 8.280 nan 0.000 0.567 10 S N -0.405 115.287 115.700 -0.013 0.000 2.536 10 S HA 0.285 4.756 4.470 0.001 0.000 0.271 10 S C -0.340 174.139 174.600 -0.201 0.000 1.134 10 S CA -0.685 57.459 58.200 -0.094 0.000 0.897 10 S CB 1.109 64.247 63.200 -0.104 0.000 1.094 10 S HN 0.066 nan 8.310 nan 0.000 0.473 11 I N 2.872 123.320 120.570 -0.204 0.000 3.976 11 I HA 0.405 4.575 4.170 0.001 0.000 0.337 11 I C 1.003 176.886 176.117 -0.390 0.000 1.359 11 I CA 0.189 61.315 61.300 -0.290 0.000 1.098 11 I CB -0.028 37.890 38.000 -0.137 0.000 1.027 11 I HN 0.633 nan 8.210 nan 0.000 0.394 12 A N 0.255 122.882 122.820 -0.322 0.000 2.327 12 A HA 0.691 5.012 4.320 0.001 0.000 0.283 12 A C -0.650 176.702 177.584 -0.387 0.000 1.127 12 A CA -0.095 51.806 52.037 -0.227 0.000 0.810 12 A CB 0.165 19.102 19.000 -0.105 0.000 1.066 12 A HN 0.097 nan 8.150 nan 0.000 0.492 13 F N 1.690 121.531 119.950 -0.182 0.000 2.497 13 F HA 0.578 5.105 4.527 0.001 0.000 0.331 13 F C -1.398 174.322 175.800 -0.133 0.000 1.060 13 F CA -1.858 56.018 58.000 -0.207 0.000 0.989 13 F CB 0.906 39.755 39.000 -0.251 0.000 1.245 13 F HN 0.437 nan 8.300 nan 0.000 0.486 14 P HA 0.097 nan 4.420 nan 0.000 0.275 14 P C -0.674 176.645 177.300 0.033 0.000 1.266 14 P CA -0.427 62.690 63.100 0.027 0.000 0.793 14 P CB 0.894 32.595 31.700 0.002 0.000 1.074 15 S N 0.227 115.935 115.700 0.012 0.000 2.549 15 S HA 0.150 4.620 4.470 0.001 0.000 0.279 15 S C -1.438 173.162 174.600 0.001 0.000 1.321 15 S CA -1.179 57.025 58.200 0.007 0.000 1.054 15 S CB -0.209 62.994 63.200 0.005 0.000 0.899 15 S HN 0.206 nan 8.310 nan 0.000 0.497 16 P HA -0.097 nan 4.420 nan 0.000 0.217 16 P C 0.816 178.120 177.300 0.007 0.000 1.148 16 P CA 0.978 64.077 63.100 -0.002 0.000 0.828 16 P CB 0.134 31.843 31.700 0.014 0.000 0.783 17 E N -1.099 119.107 120.200 0.010 0.000 2.333 17 E HA -0.059 4.292 4.350 0.001 0.000 0.198 17 E C 2.049 178.652 176.600 0.005 0.000 1.007 17 E CA 1.167 57.574 56.400 0.011 0.000 0.845 17 E CB -1.269 28.437 29.700 0.010 0.000 0.766 17 E HN 0.260 nan 8.360 nan 0.000 0.507 18 G N 0.018 108.817 108.800 -0.002 0.000 2.777 18 G HA2 0.146 4.106 3.960 0.001 0.000 0.211 18 G HA3 0.146 4.106 3.960 0.001 0.000 0.211 18 G C 0.650 175.542 174.900 -0.013 0.000 1.149 18 G CA 0.246 45.342 45.100 -0.007 0.000 0.785 18 G HN 0.374 nan 8.290 nan 0.000 0.536 19 A N 0.107 122.919 122.820 -0.013 0.000 2.583 19 A HA 0.394 4.715 4.320 0.001 0.000 0.231 19 A C 0.570 178.148 177.584 -0.011 0.000 1.065 19 A CA -0.027 51.997 52.037 -0.022 0.000 0.760 19 A CB 0.154 19.148 19.000 -0.010 0.000 1.001 19 A HN 0.307 nan 8.150 nan 0.000 0.509 20 L N 1.314 122.525 121.223 -0.020 0.000 2.472 20 L HA 0.204 4.545 4.340 0.001 0.000 0.260 20 L C 1.774 178.658 176.870 0.023 0.000 1.209 20 L CA -0.219 54.618 54.840 -0.003 0.000 0.817 20 L CB 0.260 42.310 42.059 -0.015 0.000 1.106 20 L HN 0.889 nan 8.230 nan 0.000 0.479 21 R N 0.040 120.554 120.500 0.025 0.000 2.090 21 R HA 0.080 4.420 4.340 0.001 0.000 0.219 21 R C -0.273 176.055 176.300 0.046 0.000 1.100 21 R CA 0.699 56.819 56.100 0.032 0.000 0.991 21 R CB 0.316 30.630 30.300 0.023 0.000 0.893 21 R HN 0.520 nan 8.270 nan 0.000 0.443 22 E N 1.233 121.460 120.200 0.045 0.000 2.283 22 E HA 0.251 4.602 4.350 0.001 0.000 0.258 22 E C -2.355 174.285 176.600 0.066 0.000 0.893 22 E CA -1.835 54.600 56.400 0.059 0.000 0.798 22 E CB 1.827 31.552 29.700 0.041 0.000 1.242 22 E HN 0.127 nan 8.360 nan 0.000 0.414 23 P HA 0.066 nan 4.420 nan 0.000 0.269 23 P C 0.016 177.440 177.300 0.208 0.000 1.215 23 P CA -0.435 62.780 63.100 0.193 0.000 0.780 23 P CB 0.781 32.693 31.700 0.352 0.000 0.898 24 N N 0.798 119.610 118.700 0.185 0.000 2.400 24 N HA 0.171 4.912 4.740 0.001 0.000 0.267 24 N C 1.251 176.904 175.510 0.240 0.000 1.208 24 N CA 1.312 54.449 53.050 0.145 0.000 0.951 24 N CB -0.619 37.901 38.487 0.055 0.000 1.227 24 N HN 0.765 nan 8.380 nan 0.000 0.488 25 G N 2.910 111.821 108.800 0.186 0.000 2.179 25 G HA2 -0.227 3.734 3.960 0.001 0.000 0.220 25 G HA3 -0.227 3.734 3.960 0.001 0.000 0.220 25 G C 0.261 175.218 174.900 0.094 0.000 0.990 25 G CA -0.339 44.865 45.100 0.174 0.000 0.646 25 G HN 0.557 nan 8.290 nan 0.000 0.517 26 L N 1.033 122.225 121.223 -0.051 0.000 2.654 26 L HA 0.294 4.635 4.340 0.001 0.000 0.271 26 L C 1.603 178.285 176.870 -0.313 0.000 1.169 26 L CA 0.042 54.532 54.840 -0.582 0.000 0.947 26 L CB 0.702 42.434 42.059 -0.545 0.000 1.232 26 L HN 0.299 nan 8.230 nan 0.000 0.486 27 L N 5.263 126.301 121.223 -0.309 0.000 2.547 27 L HA 0.532 4.873 4.340 0.001 0.000 0.218 27 L C 0.354 177.176 176.870 -0.079 0.000 1.048 27 L CA 0.997 55.755 54.840 -0.137 0.000 0.859 27 L CB 0.370 42.379 42.059 -0.083 0.000 1.128 27 L HN 0.605 nan 8.230 nan 0.000 0.483 28 A N -0.332 122.461 122.820 -0.044 0.000 2.610 28 A HA 0.692 5.013 4.320 0.001 0.000 0.291 28 A C -1.826 175.856 177.584 0.163 0.000 1.086 28 A CA -0.279 51.791 52.037 0.056 0.000 0.677 28 A CB 1.080 20.133 19.000 0.087 0.000 1.278 28 A HN 0.283 nan 8.150 nan 0.000 0.414 29 L N -1.301 120.003 121.223 0.134 0.000 2.434 29 L HA 0.944 5.284 4.340 0.001 0.000 0.260 29 L C 0.114 177.051 176.870 0.111 0.000 0.983 29 L CA -0.029 54.885 54.840 0.123 0.000 0.820 29 L CB 1.790 43.837 42.059 -0.019 0.000 1.361 29 L HN 2.512 nan 8.230 nan 0.000 0.410 30 G N 0.592 109.459 108.800 0.112 0.000 2.500 30 G HA2 0.412 4.372 3.960 0.001 0.000 0.209 30 G HA3 0.412 4.372 3.960 0.001 0.000 0.209 30 G C 0.216 175.220 174.900 0.173 0.000 1.283 30 G CA -0.109 45.029 45.100 0.063 0.000 0.960 30 G HN 2.629 nan 8.290 nan 0.000 0.528 31 G N -0.627 108.203 108.800 0.050 0.000 2.525 31 G HA2 0.439 4.400 3.960 0.001 0.000 0.248 31 G HA3 0.439 4.400 3.960 0.001 0.000 0.248 31 G C -0.172 174.792 174.900 0.106 0.000 1.238 31 G CA 1.236 46.364 45.100 0.045 0.000 0.926 31 G HN 2.812 nan 8.290 nan 0.000 0.574 32 D N -2.095 118.411 120.400 0.178 0.000 2.752 32 D HA 0.597 5.238 4.640 0.001 0.000 0.313 32 D C 0.425 176.903 176.300 0.297 0.000 1.225 32 D CA -0.801 53.301 54.000 0.170 0.000 0.976 32 D CB 0.407 41.265 40.800 0.096 0.000 1.443 32 D HN 0.640 nan 8.370 nan 0.000 0.515 33 L N 0.718 122.075 121.223 0.225 0.000 2.984 33 L HA 0.300 4.640 4.340 0.001 0.000 0.246 33 L C 0.289 177.263 176.870 0.174 0.000 1.268 33 L CA -0.519 54.476 54.840 0.257 0.000 1.054 33 L CB -0.223 41.967 42.059 0.219 0.000 1.393 33 L HN 0.473 nan 8.230 nan 0.000 0.532 34 S N -1.182 114.607 115.700 0.149 0.000 2.568 34 S HA 0.134 4.605 4.470 0.001 0.000 0.282 34 S C -1.603 173.052 174.600 0.091 0.000 1.338 34 S CA -0.932 57.324 58.200 0.094 0.000 1.045 34 S CB 0.791 64.032 63.200 0.068 0.000 0.873 34 S HN -0.003 nan 8.310 nan 0.000 0.516 35 P HA -0.163 nan 4.420 nan 0.000 0.216 35 P C 1.606 178.931 177.300 0.042 0.000 1.157 35 P CA 2.151 65.274 63.100 0.038 0.000 0.880 35 P CB -0.216 31.502 31.700 0.029 0.000 0.791 36 A N -0.571 122.274 122.820 0.041 0.000 1.930 36 A HA -0.190 4.130 4.320 0.001 0.000 0.217 36 A C 2.392 180.015 177.584 0.065 0.000 1.175 36 A CA 1.495 53.553 52.037 0.035 0.000 0.627 36 A CB -1.072 17.940 19.000 0.021 0.000 0.815 36 A HN 0.039 nan 8.150 nan 0.000 0.443 37 R N -0.473 120.078 120.500 0.084 0.000 2.115 37 R HA 0.054 4.394 4.340 0.001 0.000 0.226 37 R C 1.831 178.286 176.300 0.259 0.000 1.100 37 R CA 0.918 57.082 56.100 0.107 0.000 0.980 37 R CB -0.268 30.062 30.300 0.050 0.000 0.875 37 R HN 0.530 nan 8.270 nan 0.000 0.445 38 L N 0.295 121.693 121.223 0.291 0.000 2.044 38 L HA -0.169 4.172 4.340 0.001 0.000 0.205 38 L C 2.121 179.221 176.870 0.383 0.000 1.075 38 L CA 0.616 55.701 54.840 0.408 0.000 0.747 38 L CB -0.338 41.914 42.059 0.322 0.000 0.903 38 L HN 0.202 nan 8.230 nan 0.000 0.435 39 L N -0.927 120.423 121.223 0.211 0.000 2.017 39 L HA -0.226 4.115 4.340 0.001 0.000 0.208 39 L C 2.577 179.536 176.870 0.149 0.000 1.073 39 L CA 1.778 56.695 54.840 0.128 0.000 0.745 39 L CB -0.798 41.225 42.059 -0.059 0.000 0.894 39 L HN 0.220 nan 8.230 nan 0.000 0.432 40 M N -1.179 118.506 119.600 0.143 0.000 2.080 40 M HA -0.205 4.275 4.480 0.001 0.000 0.260 40 M C 2.413 178.770 176.300 0.096 0.000 1.068 40 M CA 1.961 57.350 55.300 0.148 0.000 1.109 40 M CB -1.372 31.347 32.600 0.199 0.000 1.342 40 M HN 0.320 nan 8.290 nan 0.000 0.405 41 A N -0.620 122.223 122.820 0.038 0.000 1.851 41 A HA -0.217 4.104 4.320 0.001 0.000 0.216 41 A C 1.983 179.443 177.584 -0.207 0.000 1.195 41 A CA 1.625 53.408 52.037 -0.424 0.000 0.622 41 A CB -1.336 17.426 19.000 -0.396 0.000 0.831 41 A HN 0.455 nan 8.150 nan 0.000 0.444 42 Y N -0.061 120.285 120.300 0.077 0.000 2.256 42 Y HA -0.250 4.300 4.550 0.001 0.000 0.288 42 Y C 2.647 178.597 175.900 0.084 0.000 1.155 42 Y CA 1.842 60.016 58.100 0.123 0.000 1.203 42 Y CB -0.379 38.160 38.460 0.132 0.000 0.980 42 Y HN 0.542 nan 8.280 nan 0.000 0.530 43 Q N 0.442 120.347 119.800 0.175 0.000 2.291 43 Q HA -0.128 4.213 4.340 0.001 0.000 0.205 43 Q C 1.018 177.053 176.000 0.059 0.000 0.970 43 Q CA 1.038 56.907 55.803 0.111 0.000 0.876 43 Q CB 0.143 28.932 28.738 0.086 0.000 0.935 43 Q HN 0.362 nan 8.270 nan 0.000 0.455 44 R N -1.110 119.397 120.500 0.013 0.000 2.546 44 R HA 0.194 4.534 4.340 0.001 0.000 0.320 44 R C 0.460 176.760 176.300 -0.001 0.000 1.021 44 R CA 0.486 56.575 56.100 -0.018 0.000 1.088 44 R CB 0.965 31.225 30.300 -0.065 0.000 1.278 44 R HN 0.320 nan 8.270 nan 0.000 0.557 45 G N 1.888 110.737 108.800 0.083 0.000 2.176 45 G HA2 -0.220 3.740 3.960 0.001 0.000 0.252 45 G HA3 -0.220 3.740 3.960 0.001 0.000 0.252 45 G C 0.071 175.047 174.900 0.128 0.000 1.024 45 G CA 0.027 45.272 45.100 0.242 0.000 0.755 45 G HN 0.197 nan 8.290 nan 0.000 0.507 46 I N -0.014 120.515 120.570 -0.068 0.000 2.562 46 I HA 0.837 5.007 4.170 0.001 0.000 0.301 46 I C 0.196 176.244 176.117 -0.115 0.000 1.003 46 I CA -1.739 59.443 61.300 -0.196 0.000 1.127 46 I CB 1.252 38.922 38.000 -0.550 0.000 1.304 46 I HN 0.254 nan 8.210 nan 0.000 0.446 47 F N 4.220 124.174 119.950 0.007 0.000 2.619 47 F HA 0.809 5.337 4.527 0.001 0.000 0.308 47 F C -3.194 172.744 175.800 0.231 0.000 1.097 47 F CA -2.414 55.577 58.000 -0.015 0.000 0.953 47 F CB 1.686 40.642 39.000 -0.074 0.000 1.287 47 F HN 0.133 nan 8.300 nan 0.000 0.446 48 P HA 0.300 nan 4.420 nan 0.000 0.290 48 P C -1.774 175.740 177.300 0.357 0.000 1.276 48 P CA 0.074 63.205 63.100 0.051 0.000 0.808 48 P CB 1.703 33.238 31.700 -0.274 0.000 0.966 49 W N 6.270 127.666 121.300 0.160 0.000 3.800 49 W HA 0.543 5.203 4.660 0.001 0.000 0.299 49 W C -2.214 174.494 176.519 0.316 0.000 1.231 49 W CA -0.230 56.879 57.345 -0.394 0.000 1.232 49 W CB 1.091 30.170 29.460 -0.635 0.000 1.291 49 W HN 0.454 nan 8.180 nan 0.000 0.514 50 F N 2.683 122.104 119.950 -0.883 0.000 2.746 50 F HA 0.595 5.122 4.527 0.001 0.000 0.311 50 F C -0.728 174.746 175.800 -0.544 0.000 1.135 50 F CA -1.081 56.589 58.000 -0.549 0.000 0.954 50 F CB 0.271 39.201 39.000 -0.117 0.000 1.276 50 F HN 0.304 nan 8.300 nan 0.000 0.440 51 S N 0.517 115.987 115.700 -0.384 0.000 2.586 51 S HA 0.671 5.141 4.470 0.001 0.000 0.274 51 S C -2.910 171.635 174.600 -0.091 0.000 1.281 51 S CA -1.413 56.623 58.200 -0.274 0.000 1.035 51 S CB 0.964 64.084 63.200 -0.132 0.000 0.962 51 S HN 0.524 nan 8.310 nan 0.000 0.512 52 P HA 0.239 nan 4.420 nan 0.000 0.262 52 P C 1.107 178.428 177.300 0.036 0.000 1.182 52 P CA 1.377 64.458 63.100 -0.031 0.000 0.761 52 P CB 0.147 31.806 31.700 -0.068 0.000 0.795 53 G N 1.884 110.735 108.800 0.085 0.000 2.232 53 G HA2 -0.162 3.798 3.960 0.001 0.000 0.226 53 G HA3 -0.162 3.798 3.960 0.001 0.000 0.226 53 G C -0.011 174.941 174.900 0.087 0.000 0.996 53 G CA -0.314 44.828 45.100 0.069 0.000 0.626 53 G HN 0.505 nan 8.290 nan 0.000 0.509 54 D N 1.868 122.353 120.400 0.141 0.000 2.332 54 D HA 0.562 5.203 4.640 0.001 0.000 0.252 54 D C -1.732 174.619 176.300 0.086 0.000 1.050 54 D CA -1.019 53.054 54.000 0.122 0.000 0.970 54 D CB 1.529 42.417 40.800 0.146 0.000 1.141 54 D HN 0.197 nan 8.370 nan 0.000 0.485 55 P HA 0.189 nan 4.420 nan 0.000 0.272 55 P C 0.061 177.125 177.300 -0.394 0.000 1.240 55 P CA -0.311 62.703 63.100 -0.143 0.000 0.791 55 P CB 0.824 32.472 31.700 -0.087 0.000 0.978 56 I N 0.940 121.127 120.570 -0.639 0.000 2.668 56 I HA -0.002 4.168 4.170 0.001 0.000 0.285 56 I C 0.617 176.390 176.117 -0.573 0.000 1.168 56 I CA 0.336 60.978 61.300 -1.096 0.000 1.424 56 I CB -0.349 37.212 38.000 -0.731 0.000 1.377 56 I HN 0.073 nan 8.210 nan 0.000 0.560 57 L N 6.493 127.436 121.223 -0.467 0.000 2.317 57 L HA 0.431 4.772 4.340 0.001 0.000 0.281 57 L C -1.079 175.556 176.870 -0.391 0.000 1.024 57 L CA -0.581 54.105 54.840 -0.258 0.000 0.810 57 L CB 1.291 43.352 42.059 0.004 0.000 1.240 57 L HN 0.521 nan 8.230 nan 0.000 0.427 58 W N 1.734 122.841 121.300 -0.321 0.000 2.573 58 W HA 0.536 5.197 4.660 0.001 0.000 0.326 58 W C -0.954 175.214 176.519 -0.586 0.000 1.049 58 W CA -0.236 56.963 57.345 -0.242 0.000 1.220 58 W CB 1.364 30.792 29.460 -0.052 0.000 1.373 58 W HN 0.311 nan 8.180 nan 0.000 0.507 59 W N 0.770 121.863 121.300 -0.345 0.000 2.902 59 W HA 0.656 5.316 4.660 0.001 0.000 0.346 59 W C -0.147 175.953 176.519 -0.698 0.000 1.139 59 W CA -1.535 55.463 57.345 -0.578 0.000 1.139 59 W CB 1.653 30.624 29.460 -0.816 0.000 1.439 59 W HN 0.112 nan 8.180 nan 0.000 0.558 60 S N 2.374 117.996 115.700 -0.130 0.000 2.849 60 S HA 0.248 4.718 4.470 0.001 0.000 0.141 60 S C -2.669 171.953 174.600 0.037 0.000 1.109 60 S CA -0.854 57.317 58.200 -0.047 0.000 1.106 60 S CB -0.143 63.045 63.200 -0.019 0.000 1.637 60 S HN 0.195 nan 8.310 nan 0.000 0.457 61 P HA 0.327 nan 4.420 nan 0.000 0.271 61 P C -0.950 176.378 177.300 0.046 0.000 1.244 61 P CA 0.116 63.254 63.100 0.064 0.000 0.793 61 P CB 0.528 32.254 31.700 0.044 0.000 0.984 62 D N 0.325 120.748 120.400 0.037 0.000 2.616 62 D HA 0.306 4.947 4.640 0.001 0.000 0.238 62 D C -2.359 173.955 176.300 0.023 0.000 1.354 62 D CA -1.894 52.127 54.000 0.036 0.000 0.970 62 D CB 1.187 42.012 40.800 0.041 0.000 1.369 62 D HN 0.171 nan 8.370 nan 0.000 0.585 63 P HA 0.337 nan 4.420 nan 0.000 0.277 63 P C -0.554 176.745 177.300 -0.003 0.000 1.276 63 P CA -0.580 62.534 63.100 0.023 0.000 0.788 63 P CB 1.028 32.743 31.700 0.024 0.000 1.114 64 R N -0.334 120.158 120.500 -0.013 0.000 2.494 64 R HA 0.615 4.955 4.340 0.001 0.000 0.305 64 R C -0.824 175.409 176.300 -0.113 0.000 0.959 64 R CA -0.598 55.442 56.100 -0.101 0.000 0.864 64 R CB 0.822 31.005 30.300 -0.196 0.000 1.159 64 R HN 0.568 nan 8.270 nan 0.000 0.446 65 A N 3.624 126.352 122.820 -0.154 0.000 2.409 65 A HA 0.535 4.855 4.320 0.001 0.000 0.267 65 A C -0.698 176.778 177.584 -0.180 0.000 1.127 65 A CA -0.334 51.618 52.037 -0.142 0.000 0.795 65 A CB 0.705 19.610 19.000 -0.158 0.000 1.061 65 A HN 0.570 nan 8.150 nan 0.000 0.502 66 V N 3.051 122.880 119.914 -0.141 0.000 3.181 66 V HA 0.787 4.908 4.120 0.001 0.000 0.308 66 V C -1.733 174.244 176.094 -0.196 0.000 1.214 66 V CA -0.726 61.458 62.300 -0.193 0.000 1.053 66 V CB 2.283 33.973 31.823 -0.222 0.000 1.069 66 V HN 1.090 nan 8.190 nan 0.000 0.441 67 L N 2.837 123.905 121.223 -0.258 0.000 2.482 67 L HA 0.618 4.958 4.340 0.001 0.000 0.269 67 L C -1.715 175.034 176.870 -0.202 0.000 0.967 67 L CA -0.105 54.637 54.840 -0.162 0.000 0.851 67 L CB 1.746 43.773 42.059 -0.053 0.000 1.242 67 L HN 0.724 nan 8.230 nan 0.000 0.404 68 W N 7.793 129.122 121.300 0.050 0.000 2.485 68 W HA 0.337 4.998 4.660 0.001 0.000 0.315 68 W C -1.324 175.232 176.519 0.062 0.000 1.304 68 W CA -1.203 56.167 57.345 0.043 0.000 1.345 68 W CB 0.453 29.916 29.460 0.004 0.000 1.368 68 W HN 0.520 nan 8.180 nan 0.000 0.497 69 P HA -0.376 nan 4.420 nan 0.000 0.219 69 P C 1.650 179.040 177.300 0.150 0.000 1.161 69 P CA 2.494 65.721 63.100 0.212 0.000 0.909 69 P CB 0.204 32.054 31.700 0.250 0.000 0.793 70 E N -0.598 119.690 120.200 0.147 0.000 2.333 70 E HA -0.084 4.266 4.350 0.001 0.000 0.198 70 E C 1.155 177.808 176.600 0.088 0.000 1.007 70 E CA 1.218 57.668 56.400 0.084 0.000 0.845 70 E CB -1.275 28.454 29.700 0.048 0.000 0.766 70 E HN 0.187 nan 8.360 nan 0.000 0.507 71 S N 0.722 116.509 115.700 0.144 0.000 2.605 71 S HA 0.133 4.603 4.470 0.001 0.000 0.217 71 S C 0.498 175.171 174.600 0.122 0.000 0.958 71 S CA -0.560 57.720 58.200 0.133 0.000 0.919 71 S CB -0.300 63.013 63.200 0.189 0.000 0.780 71 S HN 0.211 nan 8.310 nan 0.000 0.507 72 L N 3.890 125.172 121.223 0.098 0.000 2.513 72 L HA 0.074 4.414 4.340 0.001 0.000 0.272 72 L C 0.207 177.121 176.870 0.074 0.000 1.187 72 L CA 0.540 55.424 54.840 0.073 0.000 0.895 72 L CB -0.029 42.053 42.059 0.039 0.000 1.147 72 L HN 0.236 nan 8.230 nan 0.000 0.483 73 H N 6.459 125.527 119.070 -0.004 0.000 2.640 73 H HA 0.352 4.909 4.556 0.001 0.000 0.297 73 H C -1.122 174.197 175.328 -0.015 0.000 1.073 73 H CA -0.688 55.356 56.048 -0.007 0.000 1.305 73 H CB 0.648 30.406 29.762 -0.006 0.000 1.404 73 H HN 0.597 nan 8.280 nan 0.000 0.459 74 I N 4.538 124.831 120.570 -0.461 0.000 2.362 74 I HA 0.077 4.248 4.170 0.001 0.000 0.289 74 I C 0.728 176.585 176.117 -0.434 0.000 0.994 74 I CA -0.590 60.514 61.300 -0.327 0.000 1.158 74 I CB 1.578 39.475 38.000 -0.172 0.000 1.315 74 I HN 0.526 nan 8.210 nan 0.000 0.451 75 S N 5.450 120.985 115.700 -0.275 0.000 2.573 75 S HA 0.143 4.614 4.470 0.001 0.000 0.277 75 S C 1.312 175.864 174.600 -0.080 0.000 1.346 75 S CA -0.265 57.850 58.200 -0.142 0.000 1.034 75 S CB 0.849 64.042 63.200 -0.011 0.000 0.879 75 S HN 0.774 nan 8.310 nan 0.000 0.528 76 R N 1.100 121.577 120.500 -0.038 0.000 2.091 76 R HA -0.120 4.221 4.340 0.001 0.000 0.238 76 R C 2.546 178.856 176.300 0.017 0.000 1.136 76 R CA 1.757 57.852 56.100 -0.009 0.000 0.959 76 R CB -0.815 29.489 30.300 0.007 0.000 0.856 76 R HN 0.804 nan 8.270 nan 0.000 0.437 77 S N 0.078 115.792 115.700 0.023 0.000 2.356 77 S HA -0.194 4.276 4.470 0.001 0.000 0.223 77 S C 1.868 176.516 174.600 0.081 0.000 1.032 77 S CA 1.552 59.779 58.200 0.045 0.000 1.005 77 S CB -0.165 63.051 63.200 0.027 0.000 0.867 77 S HN 0.344 nan 8.310 nan 0.000 0.449 78 M N 1.640 121.272 119.600 0.052 0.000 2.117 78 M HA -0.001 4.480 4.480 0.001 0.000 0.262 78 M C 1.747 178.143 176.300 0.161 0.000 1.065 78 M CA 1.718 57.074 55.300 0.094 0.000 1.114 78 M CB -0.516 32.092 32.600 0.015 0.000 1.361 78 M HN 0.194 nan 8.290 nan 0.000 0.408 79 K N -0.647 119.803 120.400 0.083 0.000 2.057 79 K HA -0.145 4.175 4.320 0.001 0.000 0.207 79 K C 2.128 178.795 176.600 0.112 0.000 1.049 79 K CA 1.568 57.909 56.287 0.089 0.000 0.931 79 K CB -0.296 32.223 32.500 0.032 0.000 0.714 79 K HN 0.425 nan 8.250 nan 0.000 0.440 80 R N -0.007 120.553 120.500 0.099 0.000 2.081 80 R HA -0.134 4.207 4.340 0.001 0.000 0.235 80 R C 2.280 178.641 176.300 0.101 0.000 1.131 80 R CA 1.414 57.562 56.100 0.081 0.000 0.960 80 R CB -0.460 29.885 30.300 0.074 0.000 0.856 80 R HN 0.172 nan 8.270 nan 0.000 0.436 81 F N 0.888 120.852 119.950 0.023 0.000 2.069 81 F HA -0.252 4.276 4.527 0.001 0.000 0.298 81 F C 2.457 178.281 175.800 0.040 0.000 1.113 81 F CA 2.087 60.100 58.000 0.022 0.000 1.214 81 F CB -0.413 38.608 39.000 0.034 0.000 0.978 81 F HN 0.062 nan 8.300 nan 0.000 0.474 82 H N 0.255 119.369 119.070 0.073 0.000 2.457 82 H HA -0.091 4.465 4.556 0.001 0.000 0.294 82 H C 2.271 177.568 175.328 -0.052 0.000 1.064 82 H CA 1.799 57.825 56.048 -0.038 0.000 1.330 82 H CB -0.261 29.479 29.762 -0.037 0.000 1.395 82 H HN 0.296 nan 8.280 nan 0.000 0.541 83 K N 0.395 120.746 120.400 -0.083 0.000 2.152 83 K HA -0.086 4.234 4.320 0.001 0.000 0.206 83 K C 0.550 177.070 176.600 -0.133 0.000 1.048 83 K CA 1.224 57.454 56.287 -0.095 0.000 0.933 83 K CB 0.156 32.639 32.500 -0.029 0.000 0.721 83 K HN 0.258 nan 8.250 nan 0.000 0.447 84 R N 0.810 121.201 120.500 -0.182 0.000 2.903 84 R HA 0.139 4.479 4.340 0.001 0.000 0.363 84 R C -0.629 175.476 176.300 -0.325 0.000 1.161 84 R CA -0.232 55.747 56.100 -0.202 0.000 1.109 84 R CB 1.200 31.396 30.300 -0.172 0.000 1.399 84 R HN -0.026 nan 8.270 nan 0.000 0.587 85 S N 2.257 117.774 115.700 -0.306 0.000 2.552 85 S HA 0.061 4.532 4.470 0.001 0.000 0.289 85 S C -1.052 173.381 174.600 -0.278 0.000 1.304 85 S CA -0.857 57.140 58.200 -0.338 0.000 1.063 85 S CB 0.623 63.818 63.200 -0.010 0.000 0.848 85 S HN 0.294 nan 8.310 nan 0.000 0.499 86 P HA 0.163 nan 4.420 nan 0.000 0.261 86 P C -0.685 176.473 177.300 -0.236 0.000 1.268 86 P CA 0.154 63.017 63.100 -0.395 0.000 0.833 86 P CB 0.038 31.422 31.700 -0.527 0.000 1.231 87 Y N 1.269 121.655 120.300 0.143 0.000 2.602 87 Y HA 0.552 5.103 4.550 0.001 0.000 0.330 87 Y C 1.229 177.302 175.900 0.288 0.000 1.114 87 Y CA -1.333 56.896 58.100 0.214 0.000 1.182 87 Y CB 1.525 40.122 38.460 0.228 0.000 1.305 87 Y HN -0.260 nan 8.280 nan 0.000 0.502 88 R N -0.290 120.500 120.500 0.485 0.000 2.673 88 R HA 0.806 5.146 4.340 0.001 0.000 0.281 88 R C -2.315 174.256 176.300 0.452 0.000 0.991 88 R CA -0.896 55.428 56.100 0.373 0.000 0.896 88 R CB 1.593 31.995 30.300 0.170 0.000 1.201 88 R HN 0.402 nan 8.270 nan 0.000 0.457 89 V N 1.719 121.884 119.914 0.418 0.000 2.513 89 V HA 0.555 4.676 4.120 0.001 0.000 0.299 89 V C 0.203 176.415 176.094 0.197 0.000 1.035 89 V CA -0.543 61.939 62.300 0.303 0.000 0.889 89 V CB 1.693 33.675 31.823 0.266 0.000 0.988 89 V HN 1.054 nan 8.190 nan 0.000 0.440 90 T N 1.450 116.100 114.554 0.160 0.000 2.926 90 T HA 0.812 5.163 4.350 0.001 0.000 0.289 90 T C -0.627 174.097 174.700 0.040 0.000 1.054 90 T CA -0.814 61.254 62.100 -0.054 0.000 1.015 90 T CB 2.139 70.782 68.868 -0.376 0.000 1.167 90 T HN 0.623 nan 8.240 nan 0.000 0.526 91 M N 2.023 121.650 119.600 0.044 0.000 2.259 91 M HA 0.423 4.904 4.480 0.001 0.000 0.304 91 M C -0.710 175.815 176.300 0.375 0.000 1.019 91 M CA -0.298 55.121 55.300 0.198 0.000 0.922 91 M CB 0.926 33.600 32.600 0.123 0.000 1.600 91 M HN 0.815 nan 8.290 nan 0.000 0.433 92 N N 3.222 122.171 118.700 0.415 0.000 2.721 92 N HA -0.245 4.495 4.740 0.001 0.000 0.249 92 N C -0.575 175.248 175.510 0.522 0.000 1.072 92 N CA 1.002 54.340 53.050 0.481 0.000 0.710 92 N CB -1.300 37.516 38.487 0.548 0.000 0.993 92 N HN 0.700 nan 8.380 nan 0.000 0.547 93 Y N -0.745 119.723 120.300 0.279 0.000 2.436 93 Y HA 0.355 4.905 4.550 0.001 0.000 0.288 93 Y C 1.489 177.558 175.900 0.282 0.000 1.112 93 Y CA 1.038 59.305 58.100 0.277 0.000 1.220 93 Y CB 0.595 39.260 38.460 0.341 0.000 1.073 93 Y HN 0.265 nan 8.280 nan 0.000 0.552 94 A N -1.238 121.838 122.820 0.427 0.000 3.409 94 A HA 0.221 4.542 4.320 0.001 0.000 0.282 94 A C 0.376 178.017 177.584 0.095 0.000 1.064 94 A CA -0.547 51.658 52.037 0.281 0.000 0.889 94 A CB -1.286 17.936 19.000 0.371 0.000 1.251 94 A HN 0.317 nan 8.150 nan 0.000 0.538 95 F N 1.354 121.188 119.950 -0.194 0.000 2.095 95 F HA -0.067 4.461 4.527 0.001 0.000 0.298 95 F C 2.080 177.625 175.800 -0.425 0.000 1.104 95 F CA 2.881 60.597 58.000 -0.473 0.000 1.232 95 F CB -0.066 38.242 39.000 -1.153 0.000 0.987 95 F HN 0.455 nan 8.300 nan 0.000 0.475 96 G N -0.610 108.125 108.800 -0.109 0.000 2.446 96 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 96 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 96 G C 1.483 176.282 174.900 -0.169 0.000 1.168 96 G CA 0.920 46.001 45.100 -0.031 0.000 0.771 96 G HN 0.462 nan 8.290 nan 0.000 0.551 97 Q N -0.290 119.441 119.800 -0.116 0.000 2.119 97 Q HA -0.040 4.301 4.340 0.001 0.000 0.201 97 Q C 2.890 178.697 176.000 -0.321 0.000 0.972 97 Q CA 1.230 56.940 55.803 -0.156 0.000 0.847 97 Q CB -0.207 28.509 28.738 -0.037 0.000 0.903 97 Q HN 0.415 nan 8.270 nan 0.000 0.433 98 V N 0.957 120.669 119.914 -0.338 0.000 2.307 98 V HA -0.232 3.888 4.120 0.001 0.000 0.245 98 V C 2.157 177.888 176.094 -0.604 0.000 1.045 98 V CA 1.417 63.505 62.300 -0.354 0.000 1.024 98 V CB -0.437 31.242 31.823 -0.240 0.000 0.651 98 V HN 0.336 nan 8.190 nan 0.000 0.449 99 I N 0.364 120.423 120.570 -0.850 0.000 2.394 99 I HA -0.148 4.023 4.170 0.001 0.000 0.251 99 I C 2.195 177.931 176.117 -0.635 0.000 1.136 99 I CA 1.570 62.281 61.300 -0.981 0.000 1.425 99 I CB -0.526 36.704 38.000 -1.284 0.000 1.079 99 I HN 0.296 nan 8.210 nan 0.000 0.425 100 E N 0.046 119.931 120.200 -0.525 0.000 2.208 100 E HA -0.035 4.315 4.350 0.001 0.000 0.193 100 E C 2.230 178.518 176.600 -0.521 0.000 0.988 100 E CA 1.050 57.206 56.400 -0.407 0.000 0.828 100 E CB -0.556 28.976 29.700 -0.280 0.000 0.763 100 E HN 0.568 nan 8.360 nan 0.000 0.478 101 G N -0.389 107.917 108.800 -0.823 0.000 2.402 101 G HA2 -0.250 3.711 3.960 0.001 0.000 0.216 101 G HA3 -0.250 3.711 3.960 0.001 0.000 0.216 101 G C 1.685 175.909 174.900 -1.127 0.000 1.162 101 G CA 0.874 45.099 45.100 -1.458 0.000 0.777 101 G HN 0.368 nan 8.290 nan 0.000 0.539 102 C N 0.919 119.768 119.300 -0.751 0.000 2.435 102 C HA 0.263 4.723 4.460 0.001 0.000 0.279 102 C C 3.485 178.350 174.990 -0.208 0.000 1.321 102 C CA 0.615 59.485 59.018 -0.247 0.000 1.752 102 C CB -0.828 26.905 27.740 -0.012 0.000 1.959 102 C HN 0.555 nan 8.230 nan 0.000 0.500 103 A N 0.960 123.600 122.820 -0.300 0.000 1.873 103 A HA -0.053 4.268 4.320 0.001 0.000 0.215 103 A C 1.570 179.037 177.584 -0.196 0.000 1.186 103 A CA 1.587 53.470 52.037 -0.258 0.000 0.616 103 A CB -0.796 18.026 19.000 -0.297 0.000 0.823 103 A HN 0.665 nan 8.150 nan 0.000 0.442 104 S N 0.551 116.120 115.700 -0.218 0.000 2.494 104 S HA 0.424 4.895 4.470 0.001 0.000 0.312 104 S C -0.146 174.390 174.600 -0.108 0.000 1.121 104 S CA 0.235 58.342 58.200 -0.154 0.000 1.068 104 S CB 0.527 63.632 63.200 -0.160 0.000 1.141 104 S HN 0.616 nan 8.310 nan 0.000 0.527 105 D N 1.973 122.334 120.400 -0.066 0.000 2.289 105 D HA -0.078 4.562 4.640 0.001 0.000 0.586 105 D C 0.058 176.348 176.300 -0.017 0.000 0.915 105 D CA -0.474 53.511 54.000 -0.025 0.000 1.135 105 D CB -1.044 39.757 40.800 0.001 0.000 1.488 105 D HN 0.500 nan 8.370 nan 0.000 0.398 106 R N 0.186 120.671 120.500 -0.025 0.000 3.059 106 R HA -0.155 4.185 4.340 0.001 0.000 0.251 106 R C -0.132 176.171 176.300 0.006 0.000 0.886 106 R CA 1.383 57.476 56.100 -0.013 0.000 0.634 106 R CB -1.008 29.282 30.300 -0.015 0.000 1.282 106 R HN 0.403 nan 8.270 nan 0.000 0.487 107 E N -0.357 119.857 120.200 0.024 0.000 4.379 107 E HA 0.126 4.477 4.350 0.001 0.000 0.159 107 E C 0.199 176.850 176.600 0.085 0.000 1.246 107 E CA 0.242 56.665 56.400 0.040 0.000 0.723 107 E CB -0.178 29.537 29.700 0.026 0.000 2.553 107 E HN 0.247 nan 8.360 nan 0.000 0.543 108 E N -0.162 120.101 120.200 0.104 0.000 2.216 108 E HA 0.146 4.496 4.350 0.001 0.000 0.192 108 E C 1.462 178.254 176.600 0.319 0.000 0.988 108 E CA 0.861 57.373 56.400 0.188 0.000 0.834 108 E CB -0.057 29.714 29.700 0.119 0.000 0.772 108 E HN 0.358 nan 8.360 nan 0.000 0.479 109 G N 1.314 110.229 108.800 0.191 0.000 2.848 109 G HA2 -0.181 3.780 3.960 0.001 0.000 0.208 109 G HA3 -0.181 3.780 3.960 0.001 0.000 0.208 109 G C 1.535 176.431 174.900 -0.006 0.000 1.152 109 G CA 0.922 46.096 45.100 0.124 0.000 0.789 109 G HN 0.358 nan 8.290 nan 0.000 0.531 110 T N -2.019 112.566 114.554 0.051 0.000 3.007 110 T HA -0.155 4.196 4.350 0.001 0.000 0.270 110 T C 2.003 176.649 174.700 -0.089 0.000 1.107 110 T CA 0.989 63.071 62.100 -0.030 0.000 1.118 110 T CB -0.395 68.477 68.868 0.006 0.000 0.889 110 T HN 0.656 nan 8.240 nan 0.000 0.506 111 W N 1.885 123.046 121.300 -0.232 0.000 2.678 111 W HA 0.256 4.917 4.660 0.001 0.000 0.256 111 W C -0.222 176.044 176.519 -0.422 0.000 1.280 111 W CA -0.545 56.524 57.345 -0.461 0.000 1.345 111 W CB -0.515 28.506 29.460 -0.732 0.000 1.118 111 W HN 0.062 nan 8.180 nan 0.000 0.629 112 I N 4.858 124.780 120.570 -1.079 0.000 2.453 112 I HA -0.009 4.161 4.170 0.001 0.000 0.300 112 I C 0.987 176.763 176.117 -0.568 0.000 1.159 112 I CA 0.418 61.092 61.300 -1.043 0.000 1.379 112 I CB -1.153 36.408 38.000 -0.732 0.000 1.460 112 I HN -0.138 nan 8.210 nan 0.000 0.601 113 T N 2.494 116.751 114.554 -0.494 0.000 2.862 113 T HA 0.317 4.668 4.350 0.001 0.000 0.276 113 T C 1.336 175.922 174.700 -0.190 0.000 0.974 113 T CA -0.732 61.207 62.100 -0.268 0.000 0.966 113 T CB 1.811 70.569 68.868 -0.183 0.000 1.072 113 T HN 0.553 nan 8.240 nan 0.000 0.538 114 R N 0.139 120.572 120.500 -0.113 0.000 2.117 114 R HA -0.107 4.233 4.340 0.001 0.000 0.243 114 R C 2.413 178.696 176.300 -0.029 0.000 1.143 114 R CA 1.947 58.007 56.100 -0.068 0.000 0.968 114 R CB -1.265 29.009 30.300 -0.043 0.000 0.863 114 R HN 0.886 nan 8.270 nan 0.000 0.444 115 G N 0.051 108.846 108.800 -0.008 0.000 2.418 115 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 115 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 115 G C 1.415 176.361 174.900 0.078 0.000 1.158 115 G CA 0.888 46.020 45.100 0.052 0.000 0.771 115 G HN 0.237 nan 8.290 nan 0.000 0.545 116 V N 0.415 120.334 119.914 0.009 0.000 2.307 116 V HA -0.163 3.958 4.120 0.001 0.000 0.245 116 V C 3.039 179.197 176.094 0.106 0.000 1.045 116 V CA 1.451 63.768 62.300 0.028 0.000 1.024 116 V CB -0.383 31.196 31.823 -0.406 0.000 0.651 116 V HN 0.244 nan 8.190 nan 0.000 0.449 117 V N -0.058 119.837 119.914 -0.033 0.000 2.287 117 V HA -0.328 3.793 4.120 0.001 0.000 0.248 117 V C 2.425 178.617 176.094 0.163 0.000 1.053 117 V CA 2.356 64.664 62.300 0.013 0.000 1.027 117 V CB -0.693 31.094 31.823 -0.060 0.000 0.646 117 V HN 0.620 nan 8.190 nan 0.000 0.447 118 E N 0.009 120.279 120.200 0.117 0.000 2.058 118 E HA -0.219 4.131 4.350 0.001 0.000 0.194 118 E C 2.340 179.034 176.600 0.157 0.000 0.997 118 E CA 1.350 57.825 56.400 0.124 0.000 0.801 118 E CB -0.389 29.349 29.700 0.063 0.000 0.746 118 E HN 0.609 nan 8.360 nan 0.000 0.450 119 A N 0.638 123.551 122.820 0.155 0.000 1.865 119 A HA -0.214 4.106 4.320 0.001 0.000 0.217 119 A C 1.893 179.509 177.584 0.054 0.000 1.191 119 A CA 1.538 53.636 52.037 0.101 0.000 0.623 119 A CB -0.941 18.124 19.000 0.109 0.000 0.826 119 A HN 0.301 nan 8.150 nan 0.000 0.444 120 Y N -1.329 119.085 120.300 0.189 0.000 2.439 120 Y HA -0.117 4.434 4.550 0.001 0.000 0.292 120 Y C 2.289 178.278 175.900 0.149 0.000 1.130 120 Y CA 1.479 59.714 58.100 0.224 0.000 1.254 120 Y CB -0.575 38.075 38.460 0.317 0.000 1.000 120 Y HN 0.612 nan 8.280 nan 0.000 0.554 121 H N -0.494 118.718 119.070 0.237 0.000 2.462 121 H HA -0.041 4.515 4.556 0.001 0.000 0.292 121 H C 2.305 177.602 175.328 -0.052 0.000 1.049 121 H CA 0.888 56.987 56.048 0.085 0.000 1.334 121 H CB 0.253 30.110 29.762 0.158 0.000 1.404 121 H HN 0.128 nan 8.280 nan 0.000 0.544 122 R N -0.180 120.398 120.500 0.130 0.000 2.073 122 R HA -0.073 4.268 4.340 0.001 0.000 0.229 122 R C 2.195 178.479 176.300 -0.026 0.000 1.120 122 R CA 1.104 57.228 56.100 0.040 0.000 0.967 122 R CB -0.054 30.265 30.300 0.033 0.000 0.862 122 R HN 0.347 nan 8.270 nan 0.000 0.436 123 L N -0.652 120.541 121.223 -0.050 0.000 2.083 123 L HA -0.202 4.138 4.340 0.001 0.000 0.209 123 L C 2.492 179.248 176.870 -0.191 0.000 1.083 123 L CA 1.375 56.179 54.840 -0.060 0.000 0.752 123 L CB -0.530 41.487 42.059 -0.069 0.000 0.899 123 L HN 0.308 nan 8.230 nan 0.000 0.433 124 H N 0.346 119.127 119.070 -0.482 0.000 2.357 124 H HA -0.136 4.421 4.556 0.001 0.000 0.301 124 H C 2.067 177.151 175.328 -0.407 0.000 1.082 124 H CA 1.671 57.273 56.048 -0.743 0.000 1.342 124 H CB 0.143 28.925 29.762 -1.632 0.000 1.389 124 H HN 0.283 nan 8.280 nan 0.000 0.511 125 E N 0.020 119.991 120.200 -0.381 0.000 2.150 125 E HA -0.083 4.267 4.350 0.001 0.000 0.193 125 E C 1.899 178.356 176.600 -0.238 0.000 0.985 125 E CA 0.935 57.159 56.400 -0.294 0.000 0.814 125 E CB 0.084 29.734 29.700 -0.083 0.000 0.752 125 E HN 0.513 nan 8.360 nan 0.000 0.466 126 L N -0.398 120.721 121.223 -0.174 0.000 2.554 126 L HA 0.097 4.437 4.340 0.001 0.000 0.226 126 L C 1.279 177.978 176.870 -0.286 0.000 1.137 126 L CA 0.432 55.203 54.840 -0.115 0.000 0.863 126 L CB 0.012 42.104 42.059 0.055 0.000 0.985 126 L HN 0.271 nan 8.230 nan 0.000 0.451 127 G N -0.373 108.188 108.800 -0.399 0.000 2.132 127 G HA2 -0.285 3.676 3.960 0.001 0.000 0.228 127 G HA3 -0.285 3.676 3.960 0.001 0.000 0.228 127 G C 0.305 174.812 174.900 -0.655 0.000 1.000 127 G CA 0.369 45.177 45.100 -0.486 0.000 0.693 127 G HN 0.541 nan 8.290 nan 0.000 0.515 128 H N -0.410 118.462 119.070 -0.331 0.000 2.855 128 H HA 0.617 5.174 4.556 0.001 0.000 0.259 128 H C 1.557 176.622 175.328 -0.438 0.000 0.972 128 H CA 0.761 56.649 56.048 -0.266 0.000 1.213 128 H CB 0.837 30.518 29.762 -0.135 0.000 1.451 128 H HN 0.690 nan 8.280 nan 0.000 0.484 129 A N 1.324 123.873 122.820 -0.452 0.000 2.317 129 A HA 0.500 4.821 4.320 0.001 0.000 0.327 129 A C -0.833 176.479 177.584 -0.454 0.000 1.178 129 A CA -0.516 51.370 52.037 -0.251 0.000 0.817 129 A CB 0.717 19.719 19.000 0.003 0.000 1.189 129 A HN 0.353 nan 8.150 nan 0.000 0.489 130 H N 0.558 119.788 119.070 0.267 0.000 2.865 130 H HA 0.683 5.239 4.556 0.001 0.000 0.372 130 H C -0.708 174.911 175.328 0.485 0.000 1.173 130 H CA -0.370 55.876 56.048 0.329 0.000 1.147 130 H CB 2.255 32.033 29.762 0.028 0.000 1.805 130 H HN 0.778 nan 8.280 nan 0.000 0.553 131 S N 1.168 117.180 115.700 0.521 0.000 2.536 131 S HA 0.584 5.054 4.470 0.001 0.000 0.287 131 S C -0.856 173.872 174.600 0.212 0.000 1.101 131 S CA -0.793 57.586 58.200 0.298 0.000 0.950 131 S CB 1.556 64.832 63.200 0.127 0.000 1.056 131 S HN 0.328 nan 8.310 nan 0.000 0.481 132 I N 2.096 122.720 120.570 0.090 0.000 2.362 132 I HA 0.473 4.644 4.170 0.001 0.000 0.289 132 I C -0.451 175.661 176.117 -0.010 0.000 0.994 132 I CA -0.293 61.038 61.300 0.051 0.000 1.158 132 I CB 1.528 39.514 38.000 -0.023 0.000 1.315 132 I HN 0.693 nan 8.210 nan 0.000 0.451 133 E N 4.741 124.933 120.200 -0.013 0.000 2.179 133 E HA 0.611 4.962 4.350 0.001 0.000 0.275 133 E C -1.078 175.303 176.600 -0.366 0.000 0.945 133 E CA -0.614 55.650 56.400 -0.226 0.000 0.792 133 E CB 1.954 31.533 29.700 -0.201 0.000 1.125 133 E HN 0.227 nan 8.360 nan 0.000 0.397 134 V N 3.069 122.641 119.914 -0.570 0.000 2.398 134 V HA 0.424 4.544 4.120 0.001 0.000 0.286 134 V C -1.022 174.712 176.094 -0.600 0.000 1.026 134 V CA -0.835 61.196 62.300 -0.448 0.000 0.868 134 V CB 0.423 31.970 31.823 -0.461 0.000 0.982 134 V HN 0.612 nan 8.190 nan 0.000 0.443 135 W N 3.966 125.276 121.300 0.016 0.000 2.632 135 W HA 0.761 5.421 4.660 0.001 0.000 0.328 135 W C 0.066 176.698 176.519 0.188 0.000 1.044 135 W CA -0.799 56.588 57.345 0.070 0.000 1.225 135 W CB 1.460 30.963 29.460 0.072 0.000 1.396 135 W HN 0.355 nan 8.180 nan 0.000 0.499 136 R N 3.144 123.887 120.500 0.404 0.000 2.310 136 R HA 0.326 4.666 4.340 0.001 0.000 0.316 136 R C 0.287 176.757 176.300 0.283 0.000 1.004 136 R CA -0.313 56.026 56.100 0.398 0.000 0.900 136 R CB -0.217 30.320 30.300 0.395 0.000 1.152 136 R HN 0.790 nan 8.270 nan 0.000 0.513 137 E N 1.541 121.877 120.200 0.226 0.000 3.063 137 E HA -0.284 4.066 4.350 0.001 0.000 0.330 137 E C -0.480 176.224 176.600 0.174 0.000 1.434 137 E CA 1.378 57.869 56.400 0.151 0.000 1.556 137 E CB -0.990 28.784 29.700 0.123 0.000 1.827 137 E HN 0.604 nan 8.360 nan 0.000 0.526 138 D N 1.181 121.675 120.400 0.157 0.000 2.349 138 D HA 0.092 4.733 4.640 0.001 0.000 0.214 138 D C 0.040 176.538 176.300 0.331 0.000 1.063 138 D CA 0.480 54.570 54.000 0.150 0.000 0.847 138 D CB 0.153 40.999 40.800 0.076 0.000 0.933 138 D HN 0.219 nan 8.370 nan 0.000 0.513 139 E N 0.768 121.180 120.200 0.353 0.000 2.231 139 E HA 0.250 4.601 4.350 0.001 0.000 0.277 139 E C -0.696 176.104 176.600 0.334 0.000 0.999 139 E CA -0.858 55.751 56.400 0.348 0.000 0.827 139 E CB 1.110 30.926 29.700 0.194 0.000 1.101 139 E HN -0.154 nan 8.360 nan 0.000 0.393 140 L N 6.040 127.338 121.223 0.124 0.000 2.369 140 L HA 0.144 4.485 4.340 0.001 0.000 0.279 140 L C 0.080 176.856 176.870 -0.158 0.000 1.108 140 L CA 0.218 54.842 54.840 -0.360 0.000 0.852 140 L CB 1.204 43.001 42.059 -0.437 0.000 1.169 140 L HN 0.605 nan 8.230 nan 0.000 0.452 141 V N 2.320 122.070 119.914 -0.275 0.000 3.276 141 V HA 0.857 4.978 4.120 0.001 0.000 0.319 141 V C 0.530 176.291 176.094 -0.555 0.000 1.427 141 V CA 0.379 62.523 62.300 -0.260 0.000 1.102 141 V CB -0.543 31.167 31.823 -0.188 0.000 1.020 141 V HN 0.974 nan 8.190 nan 0.000 0.456 142 G N -1.738 106.590 108.800 -0.787 0.000 2.313 142 G HA2 0.657 4.617 3.960 0.001 0.000 0.296 142 G HA3 0.657 4.617 3.960 0.001 0.000 0.296 142 G C -0.454 173.919 174.900 -0.878 0.000 1.356 142 G CA 0.317 44.630 45.100 -1.312 0.000 0.833 142 G HN 1.524 nan 8.290 nan 0.000 0.552 143 G N -1.361 107.012 108.800 -0.713 0.000 2.356 143 G HA2 0.707 4.668 3.960 0.001 0.000 0.288 143 G HA3 0.707 4.668 3.960 0.001 0.000 0.288 143 G C -0.771 174.092 174.900 -0.061 0.000 1.302 143 G CA 0.581 45.529 45.100 -0.253 0.000 0.887 143 G HN 2.176 nan 8.290 nan 0.000 0.521 144 M N -1.303 118.297 119.600 0.001 0.000 2.721 144 M HA 0.879 5.359 4.480 0.001 0.000 0.271 144 M C -1.311 175.046 176.300 0.095 0.000 1.259 144 M CA -1.133 54.188 55.300 0.035 0.000 0.835 144 M CB 2.388 34.941 32.600 -0.078 0.000 1.689 144 M HN 1.690 nan 8.290 nan 0.000 0.470 145 Y N -1.143 119.129 120.300 -0.047 0.000 2.597 145 Y HA 1.008 5.559 4.550 0.001 0.000 0.340 145 Y C -0.826 175.137 175.900 0.105 0.000 1.097 145 Y CA -0.337 57.778 58.100 0.025 0.000 1.037 145 Y CB 1.496 39.818 38.460 -0.230 0.000 1.305 145 Y HN 1.169 nan 8.280 nan 0.000 0.463 146 G N 0.327 109.246 108.800 0.198 0.000 2.548 146 G HA2 0.511 4.471 3.960 0.001 0.000 0.301 146 G HA3 0.511 4.471 3.960 0.001 0.000 0.301 146 G C -2.368 172.373 174.900 -0.265 0.000 1.349 146 G CA -0.813 44.097 45.100 -0.318 0.000 0.792 146 G HN 0.750 nan 8.290 nan 0.000 0.481 147 V N 0.771 120.348 119.914 -0.563 0.000 2.398 147 V HA 0.683 4.803 4.120 0.001 0.000 0.286 147 V C 0.815 176.679 176.094 -0.383 0.000 1.026 147 V CA -0.330 61.721 62.300 -0.415 0.000 0.868 147 V CB 1.014 32.375 31.823 -0.769 0.000 0.982 147 V HN 1.247 nan 8.190 nan 0.000 0.443 148 A N 3.882 126.679 122.820 -0.038 0.000 2.354 148 A HA 0.679 4.999 4.320 0.001 0.000 0.269 148 A C -0.007 177.689 177.584 0.188 0.000 1.109 148 A CA -0.215 51.936 52.037 0.190 0.000 0.800 148 A CB 0.732 19.838 19.000 0.176 0.000 1.045 148 A HN 0.742 nan 8.150 nan 0.000 0.489 149 Q N 0.879 120.842 119.800 0.272 0.000 3.394 149 Q HA 0.461 4.801 4.340 0.001 0.000 0.285 149 Q C 0.492 176.654 176.000 0.270 0.000 0.866 149 Q CA 0.914 56.857 55.803 0.234 0.000 0.844 149 Q CB 0.466 29.325 28.738 0.203 0.000 1.472 149 Q HN 1.948 nan 8.270 nan 0.000 0.401 150 G N 0.383 109.363 108.800 0.300 0.000 2.559 150 G HA2 -0.394 3.566 3.960 0.001 0.000 0.282 150 G HA3 -0.394 3.566 3.960 0.001 0.000 0.282 150 G C 0.678 175.761 174.900 0.305 0.000 1.177 150 G CA 0.612 45.872 45.100 0.266 0.000 0.960 150 G HN 0.820 nan 8.290 nan 0.000 0.540 151 T N -0.954 113.731 114.554 0.218 0.000 3.105 151 T HA 0.585 4.935 4.350 0.001 0.000 0.253 151 T C 0.517 175.395 174.700 0.296 0.000 1.047 151 T CA 1.104 63.287 62.100 0.138 0.000 0.944 151 T CB 0.430 69.293 68.868 -0.008 0.000 1.016 151 T HN 1.289 nan 8.240 nan 0.000 0.544 152 L N 1.166 122.624 121.223 0.391 0.000 2.317 152 L HA 0.777 5.118 4.340 0.001 0.000 0.281 152 L C -1.413 175.791 176.870 0.557 0.000 1.024 152 L CA -1.568 53.531 54.840 0.432 0.000 0.810 152 L CB 1.385 43.597 42.059 0.255 0.000 1.240 152 L HN 0.205 nan 8.230 nan 0.000 0.427 153 F N 5.055 125.237 119.950 0.386 0.000 2.449 153 F HA 0.483 5.011 4.527 0.001 0.000 0.342 153 F C -0.570 175.293 175.800 0.105 0.000 1.127 153 F CA -0.684 57.452 58.000 0.225 0.000 0.975 153 F CB 1.025 40.061 39.000 0.061 0.000 1.146 153 F HN 0.512 nan 8.300 nan 0.000 0.444 154 C N 5.063 123.982 119.300 -0.636 0.000 2.256 154 C HA 0.534 4.994 4.460 0.001 0.000 0.333 154 C C 1.014 175.535 174.990 -0.782 0.000 1.183 154 C CA -0.807 57.938 59.018 -0.454 0.000 1.692 154 C CB -0.675 26.961 27.740 -0.172 0.000 2.274 154 C HN 1.012 nan 8.230 nan 0.000 0.509 155 G N 3.252 111.797 108.800 -0.424 0.000 2.365 155 G HA2 0.218 4.178 3.960 0.001 0.000 0.293 155 G HA3 0.218 4.178 3.960 0.001 0.000 0.293 155 G C 0.746 175.419 174.900 -0.378 0.000 1.128 155 G CA -0.024 44.899 45.100 -0.295 0.000 0.971 155 G HN 0.770 nan 8.290 nan 0.000 0.422 156 E N 1.103 120.983 120.200 -0.533 0.000 2.033 156 E HA 0.008 4.358 4.350 0.001 0.000 0.189 156 E C 1.004 177.313 176.600 -0.486 0.000 0.979 156 E CA 0.825 56.890 56.400 -0.558 0.000 0.802 156 E CB 0.366 29.550 29.700 -0.860 0.000 0.763 156 E HN 0.440 nan 8.360 nan 0.000 0.449 157 S N -1.325 113.998 115.700 -0.628 0.000 2.615 157 S HA 0.566 5.037 4.470 0.001 0.000 0.268 157 S C -1.601 172.911 174.600 -0.146 0.000 1.146 157 S CA -0.749 57.289 58.200 -0.268 0.000 0.818 157 S CB 0.815 63.977 63.200 -0.064 0.000 1.111 157 S HN 0.152 nan 8.310 nan 0.000 0.465 158 M N 1.811 121.415 119.600 0.008 0.000 2.569 158 M HA 0.836 5.317 4.480 0.001 0.000 0.279 158 M C -1.385 175.017 176.300 0.171 0.000 1.253 158 M CA -0.911 54.434 55.300 0.074 0.000 0.867 158 M CB 1.900 34.493 32.600 -0.011 0.000 1.727 158 M HN 0.679 nan 8.290 nan 0.000 0.467 159 F N -0.739 119.166 119.950 -0.075 0.000 2.645 159 F HA 0.908 5.435 4.527 0.001 0.000 0.310 159 F C -1.414 174.316 175.800 -0.116 0.000 1.102 159 F CA -0.708 57.239 58.000 -0.088 0.000 0.952 159 F CB 1.881 40.826 39.000 -0.093 0.000 1.326 159 F HN 0.825 nan 8.300 nan 0.000 0.456 160 S N 1.520 117.001 115.700 -0.365 0.000 2.575 160 S HA 0.563 5.034 4.470 0.001 0.000 0.278 160 S C -0.497 173.970 174.600 -0.222 0.000 1.139 160 S CA -0.752 57.172 58.200 -0.461 0.000 0.954 160 S CB 1.620 64.642 63.200 -0.297 0.000 1.054 160 S HN 0.796 nan 8.310 nan 0.000 0.483 161 R N 2.788 123.148 120.500 -0.235 0.000 2.508 161 R HA 0.409 4.750 4.340 0.001 0.000 0.300 161 R C -0.378 175.886 176.300 -0.060 0.000 0.970 161 R CA 0.109 56.169 56.100 -0.067 0.000 1.102 161 R CB 0.225 30.537 30.300 0.019 0.000 1.246 161 R HN 0.741 nan 8.270 nan 0.000 0.539 162 M N 0.390 119.928 119.600 -0.103 0.000 2.365 162 M HA 0.199 4.679 4.480 0.001 0.000 0.287 162 M C -1.232 175.065 176.300 -0.006 0.000 1.154 162 M CA -0.731 54.567 55.300 -0.004 0.000 0.941 162 M CB 2.724 35.377 32.600 0.088 0.000 1.704 162 M HN -0.200 nan 8.290 nan 0.000 0.479 163 E N 2.606 122.824 120.200 0.031 0.000 2.765 163 E HA -0.069 4.281 4.350 0.001 0.000 0.256 163 E C -0.122 176.445 176.600 -0.054 0.000 0.935 163 E CA 1.886 58.257 56.400 -0.048 0.000 0.954 163 E CB -0.146 29.506 29.700 -0.081 0.000 0.908 163 E HN 0.740 nan 8.360 nan 0.000 0.500 164 N N 1.481 120.088 118.700 -0.155 0.000 2.863 164 N HA -0.358 4.383 4.740 0.001 0.000 0.245 164 N C 0.669 176.193 175.510 0.024 0.000 1.001 164 N CA 0.315 53.285 53.050 -0.133 0.000 0.901 164 N CB -0.901 37.294 38.487 -0.487 0.000 1.124 164 N HN 0.517 nan 8.380 nan 0.000 0.582 165 A N 0.338 123.078 122.820 -0.134 0.000 1.845 165 A HA -0.128 4.193 4.320 0.001 0.000 0.215 165 A C 2.211 179.628 177.584 -0.279 0.000 1.195 165 A CA 2.095 53.886 52.037 -0.409 0.000 0.616 165 A CB -0.697 17.945 19.000 -0.596 0.000 0.832 165 A HN 0.350 nan 8.150 nan 0.000 0.443 166 S N -0.013 115.539 115.700 -0.247 0.000 2.377 166 S HA -0.254 4.216 4.470 0.001 0.000 0.224 166 S C 1.970 176.518 174.600 -0.087 0.000 1.042 166 S CA 1.942 60.042 58.200 -0.166 0.000 1.086 166 S CB -0.435 62.720 63.200 -0.074 0.000 0.995 166 S HN 0.606 nan 8.310 nan 0.000 0.428 167 K N 0.305 120.683 120.400 -0.038 0.000 2.127 167 K HA -0.155 4.165 4.320 0.001 0.000 0.208 167 K C 2.318 178.880 176.600 -0.064 0.000 1.047 167 K CA 1.784 58.053 56.287 -0.029 0.000 0.927 167 K CB -0.648 31.844 32.500 -0.014 0.000 0.716 167 K HN 0.380 nan 8.250 nan 0.000 0.450 168 T N 0.973 115.502 114.554 -0.042 0.000 2.674 168 T HA -0.181 4.170 4.350 0.001 0.000 0.265 168 T C 2.039 176.681 174.700 -0.096 0.000 1.039 168 T CA 1.514 63.580 62.100 -0.056 0.000 1.150 168 T CB -0.381 68.558 68.868 0.119 0.000 0.864 168 T HN 0.379 nan 8.240 nan 0.000 0.427 169 A N 1.258 124.027 122.820 -0.086 0.000 1.892 169 A HA -0.078 4.242 4.320 0.001 0.000 0.218 169 A C 2.253 179.830 177.584 -0.011 0.000 1.188 169 A CA 1.481 53.482 52.037 -0.060 0.000 0.631 169 A CB -0.883 18.047 19.000 -0.116 0.000 0.822 169 A HN 0.384 nan 8.150 nan 0.000 0.447 170 L N -0.719 120.484 121.223 -0.033 0.000 2.156 170 L HA -0.001 4.339 4.340 0.001 0.000 0.208 170 L C 2.218 179.100 176.870 0.019 0.000 1.095 170 L CA 1.596 56.445 54.840 0.016 0.000 0.770 170 L CB -0.530 41.515 42.059 -0.023 0.000 0.914 170 L HN 0.502 nan 8.230 nan 0.000 0.439 171 L N -1.868 119.308 121.223 -0.079 0.000 1.988 171 L HA -0.161 4.179 4.340 0.001 0.000 0.207 171 L C 2.294 179.076 176.870 -0.146 0.000 1.071 171 L CA 1.370 56.117 54.840 -0.155 0.000 0.744 171 L CB -0.233 41.631 42.059 -0.325 0.000 0.893 171 L HN 0.046 nan 8.230 nan 0.000 0.433 172 V N -0.103 119.710 119.914 -0.168 0.000 2.343 172 V HA -0.324 3.796 4.120 0.001 0.000 0.247 172 V C 2.284 178.386 176.094 0.014 0.000 1.051 172 V CA 2.131 64.379 62.300 -0.087 0.000 1.036 172 V CB -0.855 30.941 31.823 -0.045 0.000 0.654 172 V HN 0.542 nan 8.190 nan 0.000 0.451 173 F N 0.704 120.618 119.950 -0.060 0.000 2.091 173 F HA -0.271 4.256 4.527 0.001 0.000 0.299 173 F C 2.448 178.260 175.800 0.019 0.000 1.103 173 F CA 1.851 59.822 58.000 -0.049 0.000 1.228 173 F CB -0.862 38.054 39.000 -0.140 0.000 0.984 173 F HN 0.145 nan 8.300 nan 0.000 0.477 174 C N 0.749 119.964 119.300 -0.140 0.000 2.413 174 C HA -0.177 4.284 4.460 0.001 0.000 0.277 174 C C 2.710 177.638 174.990 -0.104 0.000 1.265 174 C CA 1.461 60.403 59.018 -0.126 0.000 1.752 174 C CB -1.228 26.525 27.740 0.021 0.000 1.998 174 C HN 0.562 nan 8.230 nan 0.000 0.489 175 E N 0.147 120.297 120.200 -0.084 0.000 2.047 175 E HA -0.184 4.167 4.350 0.001 0.000 0.191 175 E C 2.287 178.849 176.600 -0.064 0.000 0.987 175 E CA 0.828 57.191 56.400 -0.061 0.000 0.799 175 E CB -0.217 29.460 29.700 -0.037 0.000 0.752 175 E HN 0.548 nan 8.360 nan 0.000 0.449 176 E N 0.416 120.591 120.200 -0.042 0.000 2.058 176 E HA -0.184 4.166 4.350 0.001 0.000 0.194 176 E C 1.881 178.546 176.600 0.108 0.000 0.997 176 E CA 0.760 57.204 56.400 0.073 0.000 0.801 176 E CB -0.302 29.454 29.700 0.093 0.000 0.746 176 E HN 0.133 nan 8.360 nan 0.000 0.450 177 F N 2.146 121.879 119.950 -0.361 0.000 2.011 177 F HA -0.234 4.293 4.527 0.001 0.000 0.296 177 F C 2.439 178.033 175.800 -0.344 0.000 1.144 177 F CA 1.951 59.643 58.000 -0.513 0.000 1.185 177 F CB -0.864 37.632 39.000 -0.840 0.000 0.961 177 F HN 0.027 nan 8.300 nan 0.000 0.485 178 I N -1.599 118.840 120.570 -0.218 0.000 2.264 178 I HA -0.089 4.082 4.170 0.001 0.000 0.248 178 I C 2.409 178.373 176.117 -0.255 0.000 1.111 178 I CA 1.651 62.795 61.300 -0.259 0.000 1.382 178 I CB -1.816 36.109 38.000 -0.124 0.000 1.060 178 I HN 0.199 nan 8.210 nan 0.000 0.418 179 G N 0.093 108.747 108.800 -0.243 0.000 2.470 179 G HA2 -0.210 3.750 3.960 0.001 0.000 0.220 179 G HA3 -0.210 3.750 3.960 0.001 0.000 0.220 179 G C 0.976 175.571 174.900 -0.508 0.000 1.121 179 G CA 0.856 45.750 45.100 -0.343 0.000 0.766 179 G HN 0.656 nan 8.290 nan 0.000 0.553 180 H N -1.750 117.186 119.070 -0.224 0.000 2.567 180 H HA 0.401 4.958 4.556 0.001 0.000 0.267 180 H C 1.583 176.683 175.328 -0.379 0.000 1.148 180 H CA 0.164 56.053 56.048 -0.266 0.000 1.031 180 H CB 0.899 30.510 29.762 -0.252 0.000 1.691 180 H HN 0.331 nan 8.280 nan 0.000 0.588 181 G N -0.076 108.538 108.800 -0.311 0.000 2.278 181 G HA2 -0.237 3.724 3.960 0.001 0.000 0.210 181 G HA3 -0.237 3.724 3.960 0.001 0.000 0.210 181 G C 0.924 175.518 174.900 -0.511 0.000 1.000 181 G CA -0.362 44.541 45.100 -0.328 0.000 0.635 181 G HN 0.647 nan 8.290 nan 0.000 0.495 182 G N 0.072 108.307 108.800 -0.943 0.000 2.368 182 G HA2 0.395 4.355 3.960 0.001 0.000 0.233 182 G HA3 0.395 4.355 3.960 0.001 0.000 0.233 182 G C 0.594 174.965 174.900 -0.882 0.000 1.267 182 G CA 1.089 45.146 45.100 -1.738 0.000 0.873 182 G HN 0.424 nan 8.290 nan 0.000 0.539 183 K N -0.083 120.026 120.400 -0.485 0.000 2.474 183 K HA 0.420 4.741 4.320 0.001 0.000 0.202 183 K C 0.344 177.006 176.600 0.103 0.000 1.248 183 K CA 0.104 56.350 56.287 -0.069 0.000 0.946 183 K CB 0.550 33.058 32.500 0.013 0.000 1.102 183 K HN 0.376 nan 8.250 nan 0.000 0.541 184 L N 0.718 122.058 121.223 0.194 0.000 2.556 184 L HA 0.503 4.844 4.340 0.001 0.000 0.257 184 L C -1.613 175.435 176.870 0.297 0.000 0.955 184 L CA -0.801 54.070 54.840 0.052 0.000 0.850 184 L CB 2.267 44.170 42.059 -0.260 0.000 1.398 184 L HN -0.091 nan 8.230 nan 0.000 0.412 185 I N 1.696 122.328 120.570 0.102 0.000 2.436 185 I HA 0.240 4.411 4.170 0.001 0.000 0.289 185 I C -0.987 175.131 176.117 0.002 0.000 1.010 185 I CA -0.514 60.876 61.300 0.151 0.000 1.098 185 I CB 2.069 40.163 38.000 0.158 0.000 1.266 185 I HN 0.463 nan 8.210 nan 0.000 0.434 186 D N 4.999 125.409 120.400 0.016 0.000 2.249 186 D HA 0.251 4.891 4.640 0.001 0.000 0.246 186 D C 0.146 176.341 176.300 -0.175 0.000 1.114 186 D CA -0.289 53.659 54.000 -0.086 0.000 0.854 186 D CB 1.301 42.091 40.800 -0.017 0.000 1.132 186 D HN 0.525 nan 8.370 nan 0.000 0.461 187 C N 2.772 121.939 119.300 -0.222 0.000 3.038 187 C HA 0.188 4.649 4.460 0.001 0.000 0.279 187 C C 1.513 176.307 174.990 -0.328 0.000 1.276 187 C CA -0.162 58.711 59.018 -0.243 0.000 1.697 187 C CB -1.535 26.091 27.740 -0.190 0.000 2.032 187 C HN 0.848 nan 8.230 nan 0.000 0.636 188 Q N -0.365 119.210 119.800 -0.374 0.000 2.027 188 Q HA -0.278 4.062 4.340 0.001 0.000 0.183 188 Q C 0.067 175.901 176.000 -0.276 0.000 2.910 188 Q CA 2.077 57.633 55.803 -0.413 0.000 0.257 188 Q CB -1.280 26.983 28.738 -0.791 0.000 0.393 188 Q HN 0.429 nan 8.270 nan 0.000 0.385 189 V N 1.142 120.872 119.914 -0.307 0.000 2.443 189 V HA 0.352 4.472 4.120 0.001 0.000 0.293 189 V C -0.359 175.606 176.094 -0.215 0.000 1.021 189 V CA -0.698 61.452 62.300 -0.250 0.000 0.848 189 V CB 1.681 33.312 31.823 -0.320 0.000 0.998 189 V HN 0.353 nan 8.190 nan 0.000 0.424 190 L N 6.013 127.140 121.223 -0.160 0.000 2.559 190 L HA 0.246 4.586 4.340 0.001 0.000 0.274 190 L C -0.019 176.779 176.870 -0.120 0.000 1.205 190 L CA 0.946 55.710 54.840 -0.127 0.000 0.907 190 L CB 0.267 42.272 42.059 -0.091 0.000 1.153 190 L HN 1.072 nan 8.230 nan 0.000 0.490 191 N N 1.859 120.495 118.700 -0.106 0.000 2.697 191 N HA 0.313 5.053 4.740 0.001 0.000 0.272 191 N C 0.240 175.720 175.510 -0.049 0.000 1.381 191 N CA -0.731 52.270 53.050 -0.082 0.000 0.797 191 N CB 0.578 39.014 38.487 -0.085 0.000 1.523 191 N HN 0.339 nan 8.380 nan 0.000 0.518 192 D N -0.670 119.715 120.400 -0.025 0.000 2.127 192 D HA -0.244 4.397 4.640 0.001 0.000 0.190 192 D C 1.340 177.660 176.300 0.033 0.000 1.000 192 D CA 1.973 55.972 54.000 -0.002 0.000 0.839 192 D CB -0.548 40.255 40.800 0.004 0.000 0.955 192 D HN 0.769 nan 8.370 nan 0.000 0.446 193 H N -0.060 118.978 119.070 -0.053 0.000 2.321 193 H HA -0.065 4.492 4.556 0.001 0.000 0.300 193 H C 2.048 177.349 175.328 -0.047 0.000 1.087 193 H CA 2.264 58.284 56.048 -0.048 0.000 1.319 193 H CB -0.575 29.155 29.762 -0.052 0.000 1.379 193 H HN 0.006 nan 8.280 nan 0.000 0.501 194 T N -0.628 113.821 114.554 -0.175 0.000 2.788 194 T HA -0.090 4.260 4.350 0.001 0.000 0.268 194 T C 2.082 176.685 174.700 -0.162 0.000 1.044 194 T CA 1.403 63.362 62.100 -0.235 0.000 1.139 194 T CB -0.670 68.103 68.868 -0.159 0.000 0.867 194 T HN 0.532 nan 8.240 nan 0.000 0.454 195 A N 0.966 123.723 122.820 -0.104 0.000 1.929 195 A HA -0.002 4.319 4.320 0.001 0.000 0.216 195 A C 2.515 180.054 177.584 -0.074 0.000 1.176 195 A CA 1.938 53.930 52.037 -0.075 0.000 0.628 195 A CB -0.752 18.214 19.000 -0.057 0.000 0.816 195 A HN 0.665 nan 8.150 nan 0.000 0.444 196 S N -0.455 115.203 115.700 -0.070 0.000 2.507 196 S HA 0.075 4.546 4.470 0.001 0.000 0.235 196 S C 1.405 175.986 174.600 -0.032 0.000 0.988 196 S CA 0.987 59.157 58.200 -0.050 0.000 0.944 196 S CB -0.381 62.826 63.200 0.011 0.000 0.762 196 S HN 0.434 nan 8.310 nan 0.000 0.526 197 L N 0.430 121.605 121.223 -0.081 0.000 2.607 197 L HA 0.367 4.708 4.340 0.001 0.000 0.228 197 L C 1.758 178.638 176.870 0.017 0.000 1.123 197 L CA 0.469 55.284 54.840 -0.042 0.000 0.890 197 L CB 0.083 42.040 42.059 -0.171 0.000 1.103 197 L HN 0.611 nan 8.230 nan 0.000 0.468 198 G N -0.316 108.483 108.800 -0.002 0.000 2.192 198 G HA2 -0.184 3.776 3.960 0.001 0.000 0.193 198 G HA3 -0.184 3.776 3.960 0.001 0.000 0.193 198 G C 0.380 175.296 174.900 0.026 0.000 0.999 198 G CA -0.173 44.947 45.100 0.034 0.000 0.659 198 G HN 0.368 nan 8.290 nan 0.000 0.503 199 A N -0.012 122.796 122.820 -0.021 0.000 2.462 199 A HA 0.618 4.938 4.320 0.001 0.000 0.243 199 A C 0.992 178.570 177.584 -0.009 0.000 1.076 199 A CA 0.789 52.806 52.037 -0.033 0.000 0.773 199 A CB -0.099 18.852 19.000 -0.082 0.000 1.010 199 A HN 2.052 nan 8.150 nan 0.000 0.493 200 C N 1.121 120.430 119.300 0.014 0.000 2.994 200 C HA 0.812 5.272 4.460 0.001 0.000 0.304 200 C C -0.471 174.539 174.990 0.034 0.000 1.273 200 C CA -0.881 58.162 59.018 0.043 0.000 1.537 200 C CB 0.754 28.562 27.740 0.114 0.000 2.001 200 C HN 0.894 nan 8.230 nan 0.000 0.471 201 E N 1.178 121.400 120.200 0.037 0.000 2.277 201 E HA 0.717 5.067 4.350 0.001 0.000 0.274 201 E C -0.415 176.238 176.600 0.088 0.000 1.022 201 E CA -0.327 56.094 56.400 0.034 0.000 0.853 201 E CB 1.637 31.346 29.700 0.014 0.000 1.086 201 E HN 0.757 nan 8.360 nan 0.000 0.397 202 I N -1.555 119.076 120.570 0.101 0.000 2.894 202 I HA 0.535 4.706 4.170 0.001 0.000 0.302 202 I C -2.864 173.332 176.117 0.131 0.000 1.188 202 I CA -3.177 58.218 61.300 0.159 0.000 1.014 202 I CB 2.259 40.426 38.000 0.278 0.000 1.242 202 I HN 0.176 nan 8.210 nan 0.000 0.430 203 P HA 0.079 nan 4.420 nan 0.000 0.266 203 P C 0.355 177.731 177.300 0.126 0.000 1.195 203 P CA -0.112 63.046 63.100 0.097 0.000 0.768 203 P CB 0.614 32.360 31.700 0.076 0.000 0.838 204 R N 4.317 124.883 120.500 0.110 0.000 2.096 204 R HA -0.238 4.103 4.340 0.001 0.000 0.240 204 R C 2.035 178.430 176.300 0.158 0.000 1.139 204 R CA 1.949 58.140 56.100 0.152 0.000 0.952 204 R CB -0.336 30.029 30.300 0.108 0.000 0.854 204 R HN 0.350 nan 8.270 nan 0.000 0.436 205 R N 0.277 120.828 120.500 0.086 0.000 2.139 205 R HA -0.154 4.186 4.340 0.001 0.000 0.243 205 R C 1.532 177.833 176.300 0.002 0.000 1.145 205 R CA 2.187 58.311 56.100 0.040 0.000 0.976 205 R CB -0.199 30.113 30.300 0.019 0.000 0.866 205 R HN 0.380 nan 8.270 nan 0.000 0.449 206 D N -0.803 119.607 120.400 0.017 0.000 2.162 206 D HA -0.167 4.474 4.640 0.001 0.000 0.203 206 D C 1.536 177.784 176.300 -0.086 0.000 0.967 206 D CA 0.946 54.884 54.000 -0.104 0.000 0.840 206 D CB -0.179 40.615 40.800 -0.010 0.000 0.972 206 D HN 0.271 nan 8.370 nan 0.000 0.482 207 Y N 2.163 122.502 120.300 0.064 0.000 2.181 207 Y HA -0.170 4.381 4.550 0.001 0.000 0.288 207 Y C 2.196 178.168 175.900 0.120 0.000 1.146 207 Y CA 1.207 59.412 58.100 0.174 0.000 1.164 207 Y CB -0.515 38.026 38.460 0.134 0.000 0.982 207 Y HN -0.114 nan 8.280 nan 0.000 0.515 208 L N 0.027 121.204 121.223 -0.077 0.000 2.046 208 L HA -0.259 4.081 4.340 0.001 0.000 0.208 208 L C 2.372 179.146 176.870 -0.159 0.000 1.077 208 L CA 1.311 56.059 54.840 -0.152 0.000 0.747 208 L CB -0.767 41.281 42.059 -0.018 0.000 0.896 208 L HN 0.283 nan 8.230 nan 0.000 0.432 209 N N -0.042 118.560 118.700 -0.164 0.000 2.018 209 N HA -0.243 4.497 4.740 0.001 0.000 0.196 209 N C 1.916 177.356 175.510 -0.116 0.000 1.043 209 N CA 1.849 54.792 53.050 -0.178 0.000 0.856 209 N CB -0.555 37.746 38.487 -0.310 0.000 1.042 209 N HN 0.381 nan 8.380 nan 0.000 0.423 210 Y N 1.429 121.703 120.300 -0.043 0.000 2.114 210 Y HA -0.173 4.378 4.550 0.001 0.000 0.282 210 Y C 2.624 178.463 175.900 -0.101 0.000 1.165 210 Y CA 0.374 58.456 58.100 -0.029 0.000 1.148 210 Y CB -0.314 38.150 38.460 0.008 0.000 0.972 210 Y HN 0.104 nan 8.280 nan 0.000 0.504 211 L N 1.702 122.859 121.223 -0.109 0.000 1.970 211 L HA -0.266 4.074 4.340 0.001 0.000 0.212 211 L C 1.938 178.793 176.870 -0.025 0.000 1.071 211 L CA 2.520 57.268 54.840 -0.153 0.000 0.751 211 L CB -1.038 40.790 42.059 -0.384 0.000 0.889 211 L HN 0.488 nan 8.230 nan 0.000 0.432 212 N N -0.479 118.204 118.700 -0.029 0.000 2.571 212 N HA -0.220 4.520 4.740 0.001 0.000 0.189 212 N C 1.607 177.138 175.510 0.035 0.000 1.154 212 N CA 0.620 53.676 53.050 0.011 0.000 0.907 212 N CB -0.144 38.343 38.487 0.001 0.000 0.977 212 N HN 0.445 nan 8.380 nan 0.000 0.449 213 Q N 0.425 120.255 119.800 0.050 0.000 2.226 213 Q HA 0.266 4.607 4.340 0.001 0.000 0.199 213 Q C 1.867 177.922 176.000 0.090 0.000 0.945 213 Q CA 1.018 56.867 55.803 0.077 0.000 0.861 213 Q CB 0.066 28.873 28.738 0.115 0.000 0.953 213 Q HN 0.374 nan 8.270 nan 0.000 0.490 214 M N -0.179 119.482 119.600 0.102 0.000 2.510 214 M HA 0.098 4.579 4.480 0.001 0.000 0.256 214 M C 1.680 178.051 176.300 0.117 0.000 1.132 214 M CA 0.520 55.885 55.300 0.108 0.000 1.105 214 M CB 0.145 32.819 32.600 0.123 0.000 1.375 214 M HN 0.114 nan 8.290 nan 0.000 0.477 215 R N 1.133 121.698 120.500 0.109 0.000 2.189 215 R HA -0.031 4.309 4.340 0.001 0.000 0.223 215 R C 1.213 177.585 176.300 0.119 0.000 1.092 215 R CA 1.075 57.251 56.100 0.126 0.000 0.989 215 R CB -0.522 29.843 30.300 0.110 0.000 0.876 215 R HN 0.360 nan 8.270 nan 0.000 0.457 216 L N 0.981 122.262 121.223 0.096 0.000 2.607 216 L HA 0.313 4.654 4.340 0.001 0.000 0.228 216 L C 1.141 178.061 176.870 0.084 0.000 1.123 216 L CA -0.239 54.653 54.840 0.087 0.000 0.890 216 L CB 0.416 42.516 42.059 0.068 0.000 1.103 216 L HN 0.258 nan 8.230 nan 0.000 0.468 217 G N 0.934 109.787 108.800 0.088 0.000 2.543 217 G HA2 0.622 4.583 3.960 0.001 0.000 0.290 217 G HA3 0.622 4.583 3.960 0.001 0.000 0.290 217 G C -0.398 174.555 174.900 0.088 0.000 1.310 217 G CA -0.444 44.699 45.100 0.071 0.000 1.025 217 G HN 0.312 nan 8.290 nan 0.000 0.502 218 R N -1.835 118.702 120.500 0.061 0.000 2.716 218 R HA 0.650 4.991 4.340 0.001 0.000 0.271 218 R C -1.518 174.787 176.300 0.008 0.000 1.028 218 R CA -0.958 55.187 56.100 0.076 0.000 0.883 218 R CB 1.008 31.360 30.300 0.086 0.000 1.250 218 R HN 0.386 nan 8.270 nan 0.000 0.465 219 L N 0.089 121.314 121.223 0.002 0.000 2.286 219 L HA 0.635 4.976 4.340 0.001 0.000 0.265 219 L C -2.172 174.673 176.870 -0.042 0.000 1.012 219 L CA -2.770 51.991 54.840 -0.132 0.000 0.818 219 L CB 1.714 43.543 42.059 -0.383 0.000 1.337 219 L HN 0.453 nan 8.230 nan 0.000 0.438 220 P HA -0.009 nan 4.420 nan 0.000 0.266 220 P C -0.045 177.280 177.300 0.042 0.000 1.186 220 P CA 0.091 63.177 63.100 -0.022 0.000 0.767 220 P CB 0.362 32.003 31.700 -0.098 0.000 0.820 221 N N 1.790 120.523 118.700 0.054 0.000 2.192 221 N HA -0.175 4.565 4.740 0.001 0.000 0.188 221 N C 0.978 176.551 175.510 0.104 0.000 1.013 221 N CA 1.419 54.522 53.050 0.089 0.000 0.863 221 N CB -0.577 37.950 38.487 0.068 0.000 0.990 221 N HN 0.639 nan 8.380 nan 0.000 0.430 222 N N -1.266 117.470 118.700 0.060 0.000 2.235 222 N HA -0.003 4.737 4.740 0.001 0.000 0.209 222 N C 1.146 176.657 175.510 0.002 0.000 1.122 222 N CA -0.334 52.744 53.050 0.048 0.000 0.845 222 N CB -0.223 38.274 38.487 0.016 0.000 1.004 222 N HN 0.024 nan 8.380 nan 0.000 0.499 223 F N 0.977 120.818 119.950 -0.183 0.000 2.202 223 F HA -0.042 4.485 4.527 0.001 0.000 0.301 223 F C 0.698 176.277 175.800 -0.368 0.000 1.082 223 F CA 1.244 59.011 58.000 -0.388 0.000 1.313 223 F CB -0.067 38.576 39.000 -0.594 0.000 1.024 223 F HN 0.068 nan 8.300 nan 0.000 0.495 224 W N -0.120 121.179 121.300 -0.002 0.000 3.239 224 W HA 0.332 4.993 4.660 0.001 0.000 0.348 224 W C 0.028 176.584 176.519 0.061 0.000 1.183 224 W CA -0.378 56.942 57.345 -0.042 0.000 1.819 224 W CB -0.312 29.183 29.460 0.058 0.000 1.091 224 W HN -0.432 nan 8.180 nan 0.000 0.629 225 V N 3.153 123.184 119.914 0.195 0.000 2.655 225 V HA 0.028 4.149 4.120 0.001 0.000 0.300 225 V C -1.687 174.519 176.094 0.186 0.000 1.044 225 V CA -1.578 60.825 62.300 0.172 0.000 1.095 225 V CB 0.273 32.158 31.823 0.102 0.000 0.952 225 V HN -0.271 nan 8.190 nan 0.000 0.485 226 P HA 0.217 nan 4.420 nan 0.000 0.264 226 P C -0.374 177.141 177.300 0.359 0.000 1.193 226 P CA 0.267 63.568 63.100 0.334 0.000 0.763 226 P CB 0.323 32.176 31.700 0.256 0.000 0.810 227 R N 1.674 122.428 120.500 0.423 0.000 2.764 227 R HA 0.587 4.928 4.340 0.001 0.000 0.276 227 R C -1.591 174.732 176.300 0.039 0.000 1.021 227 R CA -0.945 55.336 56.100 0.300 0.000 0.870 227 R CB 0.016 30.393 30.300 0.128 0.000 1.293 227 R HN 0.367 nan 8.270 nan 0.000 0.469 228 C N 1.226 120.527 119.300 0.002 0.000 2.388 228 C HA 0.529 4.990 4.460 0.001 0.000 0.362 228 C C 1.204 176.196 174.990 0.002 0.000 1.266 228 C CA -0.574 58.399 59.018 -0.075 0.000 2.028 228 C CB -0.263 27.450 27.740 -0.044 0.000 2.440 228 C HN 0.723 nan 8.230 nan 0.000 0.547 229 L N 3.256 124.505 121.223 0.045 0.000 2.577 229 L HA 0.407 4.747 4.340 0.001 0.000 0.225 229 L C -0.087 176.916 176.870 0.222 0.000 1.053 229 L CA 0.305 55.212 54.840 0.111 0.000 0.866 229 L CB 0.028 42.157 42.059 0.116 0.000 1.132 229 L HN 0.633 nan 8.230 nan 0.000 0.486 230 F N 0.297 120.281 119.950 0.057 0.000 2.607 230 F HA 0.539 5.066 4.527 0.001 0.000 0.322 230 F C -0.771 175.068 175.800 0.066 0.000 1.176 230 F CA -0.442 57.606 58.000 0.079 0.000 0.977 230 F CB 1.808 40.894 39.000 0.144 0.000 1.242 230 F HN -0.297 nan 8.300 nan 0.000 0.465 231 S N 7.023 122.306 115.700 -0.696 0.000 2.653 231 S HA 0.595 5.065 4.470 0.001 0.000 0.268 231 S C -2.573 171.669 174.600 -0.598 0.000 1.153 231 S CA -0.830 57.014 58.200 -0.594 0.000 1.036 231 S CB 0.633 63.685 63.200 -0.246 0.000 1.103 231 S HN 0.623 nan 8.310 nan 0.000 0.466 232 P HA 0.000 nan 4.420 nan 0.000 0.216 232 P CA 0.000 62.865 63.100 -0.391 0.000 0.800 232 P CB 0.000 31.514 31.700 -0.311 0.000 0.726