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 1ctu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHPRFQTAFA QLADNLQSAL EPILADKYFP ALLTGEQVSS LKSATGLDED DATA SEQUENCE ALAFALLPLA AACARTPLSN FNVGAIARGV SGTWYFGANM EFIGATMQQT DATA SEQUENCE VHAEQSAISH AWLSGEKALA AITVNYTPCG HCRQFMNELN SGLDLRIHLP DATA SEQUENCE GREAHALRDY LPDAFGPKDL EIKTLLMDEQ DHGYALTGDA LSQAAIAAAN DATA SEQUENCE RSHMPYSKSP SGVALECKDG RIFSGSYAEN AAFNPTLPPL QGALILLNLK DATA SEQUENCE GYDYPDIQRA VLAEKADAPL IQWDATSATL KALGCHSIDR VLLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.349 176.300 0.081 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.554 32.600 -0.077 0.000 1.302 2 H N 5.927 125.058 119.070 0.102 0.000 3.107 2 H HA 0.150 4.706 4.556 -0.000 0.000 0.301 2 H C -1.833 173.451 175.328 -0.073 0.000 0.981 2 H CA 0.180 56.206 56.048 -0.037 0.000 1.443 2 H CB 0.982 30.700 29.762 -0.073 0.000 1.479 2 H HN 0.463 nan 8.280 nan 0.000 0.564 3 P HA -0.237 nan 4.420 nan 0.000 0.218 3 P C 1.561 178.884 177.300 0.038 0.000 1.146 3 P CA 1.287 64.390 63.100 0.005 0.000 0.820 3 P CB 0.016 31.670 31.700 -0.076 0.000 0.778 4 R N -0.119 120.413 120.500 0.054 0.000 2.127 4 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 4 R C 1.546 177.711 176.300 -0.225 0.000 1.134 4 R CA 1.653 57.619 56.100 -0.225 0.000 0.975 4 R CB -1.379 28.627 30.300 -0.489 0.000 0.865 4 R HN 0.142 nan 8.270 nan 0.000 0.447 5 F N 1.550 121.578 119.950 0.131 0.000 2.615 5 F HA 0.114 4.641 4.527 -0.000 0.000 0.297 5 F C 2.498 178.384 175.800 0.143 0.000 1.124 5 F CA 0.231 58.316 58.000 0.141 0.000 1.451 5 F CB -0.708 38.384 39.000 0.152 0.000 1.103 5 F HN -0.008 nan 8.300 nan 0.000 0.569 6 Q N 0.825 120.774 119.800 0.248 0.000 2.007 6 Q HA -0.258 4.082 4.340 -0.000 0.000 0.214 6 Q C 2.277 178.403 176.000 0.211 0.000 1.031 6 Q CA 3.484 59.393 55.803 0.177 0.000 0.886 6 Q CB -1.054 27.738 28.738 0.090 0.000 0.992 6 Q HN 0.396 nan 8.270 nan 0.000 0.415 7 T N 0.196 114.842 114.554 0.153 0.000 2.674 7 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 7 T C 1.761 176.548 174.700 0.146 0.000 1.039 7 T CA 1.638 63.813 62.100 0.126 0.000 1.150 7 T CB -0.907 68.009 68.868 0.080 0.000 0.864 7 T HN 0.476 nan 8.240 nan 0.000 0.427 8 A N 1.641 124.564 122.820 0.172 0.000 1.869 8 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 8 A C 2.035 179.708 177.584 0.149 0.000 1.203 8 A CA 2.004 54.135 52.037 0.156 0.000 0.638 8 A CB -1.398 17.732 19.000 0.218 0.000 0.831 8 A HN 0.439 nan 8.150 nan 0.000 0.450 9 F N 0.910 120.918 119.950 0.097 0.000 2.111 9 F HA -0.261 4.266 4.527 0.000 0.000 0.300 9 F C 2.469 178.288 175.800 0.032 0.000 1.088 9 F CA 1.684 59.716 58.000 0.052 0.000 1.243 9 F CB -0.322 38.714 39.000 0.060 0.000 0.996 9 F HN 0.250 nan 8.300 nan 0.000 0.483 10 A N -0.725 122.213 122.820 0.197 0.000 2.121 10 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 10 A C 1.789 179.368 177.584 -0.009 0.000 1.154 10 A CA 1.496 53.599 52.037 0.110 0.000 0.679 10 A CB -0.566 18.512 19.000 0.130 0.000 0.795 10 A HN 0.655 nan 8.150 nan 0.000 0.458 11 Q N -0.651 119.129 119.800 -0.033 0.000 2.247 11 Q HA 0.409 4.748 4.340 -0.000 0.000 0.204 11 Q C -0.077 175.867 176.000 -0.093 0.000 0.872 11 Q CA -0.303 55.473 55.803 -0.045 0.000 0.951 11 Q CB 0.402 29.132 28.738 -0.014 0.000 1.099 11 Q HN 0.539 nan 8.270 nan 0.000 0.501 12 L N 0.914 122.024 121.223 -0.187 0.000 2.472 12 L HA 0.333 4.673 4.340 -0.000 0.000 0.260 12 L C 0.409 177.164 176.870 -0.192 0.000 1.209 12 L CA -0.795 53.909 54.840 -0.227 0.000 0.817 12 L CB 0.453 42.263 42.059 -0.416 0.000 1.106 12 L HN 0.152 nan 8.230 nan 0.000 0.479 13 A N 0.890 123.623 122.820 -0.145 0.000 2.407 13 A HA 0.113 4.433 4.320 -0.000 0.000 0.248 13 A C 0.644 178.155 177.584 -0.121 0.000 1.082 13 A CA -0.526 51.448 52.037 -0.104 0.000 0.785 13 A CB 0.224 19.184 19.000 -0.067 0.000 1.020 13 A HN 0.840 nan 8.150 nan 0.000 0.489 14 D N 1.413 121.764 120.400 -0.081 0.000 2.126 14 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 14 D C 1.605 177.871 176.300 -0.057 0.000 1.001 14 D CA 2.123 56.085 54.000 -0.063 0.000 0.841 14 D CB -0.314 40.467 40.800 -0.033 0.000 0.949 14 D HN 0.770 nan 8.370 nan 0.000 0.446 15 N N 0.730 119.402 118.700 -0.047 0.000 2.309 15 N HA -0.120 4.620 4.740 -0.000 0.000 0.182 15 N C 1.868 177.347 175.510 -0.051 0.000 1.018 15 N CA 0.453 53.480 53.050 -0.038 0.000 0.876 15 N CB -0.520 37.950 38.487 -0.029 0.000 0.972 15 N HN 0.227 nan 8.380 nan 0.000 0.434 16 L N 0.813 121.990 121.223 -0.078 0.000 2.095 16 L HA 0.027 4.367 4.340 -0.000 0.000 0.204 16 L C 2.453 179.249 176.870 -0.123 0.000 1.080 16 L CA 1.355 56.141 54.840 -0.091 0.000 0.759 16 L CB -0.696 41.301 42.059 -0.103 0.000 0.914 16 L HN 0.062 nan 8.230 nan 0.000 0.439 17 Q N -0.755 118.921 119.800 -0.206 0.000 2.045 17 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 17 Q C 2.224 178.259 176.000 0.057 0.000 0.991 17 Q CA 2.233 57.867 55.803 -0.281 0.000 0.851 17 Q CB -0.333 28.224 28.738 -0.302 0.000 0.911 17 Q HN 0.546 nan 8.270 nan 0.000 0.418 18 S N 0.741 116.457 115.700 0.027 0.000 2.353 18 S HA -0.214 4.256 4.470 -0.000 0.000 0.222 18 S C 2.073 176.692 174.600 0.032 0.000 1.035 18 S CA 1.196 59.425 58.200 0.047 0.000 1.025 18 S CB -0.399 62.810 63.200 0.015 0.000 0.902 18 S HN 0.536 nan 8.310 nan 0.000 0.440 19 A N 0.831 123.651 122.820 -0.000 0.000 1.978 19 A HA -0.011 4.309 4.320 -0.000 0.000 0.220 19 A C 2.126 179.700 177.584 -0.015 0.000 1.170 19 A CA 1.141 53.168 52.037 -0.017 0.000 0.636 19 A CB -0.556 18.423 19.000 -0.036 0.000 0.810 19 A HN 0.455 nan 8.150 nan 0.000 0.448 20 L N -0.752 120.482 121.223 0.019 0.000 2.102 20 L HA -0.139 4.201 4.340 -0.000 0.000 0.202 20 L C 2.636 179.521 176.870 0.025 0.000 1.076 20 L CA 1.390 56.244 54.840 0.023 0.000 0.761 20 L CB -0.590 41.529 42.059 0.100 0.000 0.921 20 L HN 0.663 nan 8.230 nan 0.000 0.444 21 E N 0.512 120.803 120.200 0.152 0.000 2.236 21 E HA -0.248 4.101 4.350 -0.000 0.000 0.205 21 E C -0.984 175.557 176.600 -0.098 0.000 1.028 21 E CA 1.604 58.002 56.400 -0.003 0.000 0.827 21 E CB -1.830 27.888 29.700 0.029 0.000 0.735 21 E HN 0.361 nan 8.360 nan 0.000 0.470 22 P HA -0.038 nan 4.420 nan 0.000 0.217 22 P C 1.345 178.589 177.300 -0.093 0.000 1.151 22 P CA 1.108 64.169 63.100 -0.065 0.000 0.828 22 P CB -0.011 31.662 31.700 -0.044 0.000 0.788 23 I N -1.172 119.312 120.570 -0.144 0.000 2.277 23 I HA -0.103 4.066 4.170 -0.000 0.000 0.243 23 I C 2.292 178.200 176.117 -0.349 0.000 1.094 23 I CA 0.934 62.107 61.300 -0.211 0.000 1.393 23 I CB -0.561 37.271 38.000 -0.280 0.000 1.078 23 I HN -0.193 nan 8.210 nan 0.000 0.417 24 L N 0.771 121.720 121.223 -0.457 0.000 2.551 24 L HA -0.070 4.270 4.340 -0.000 0.000 0.228 24 L C 2.658 179.394 176.870 -0.223 0.000 1.153 24 L CA 0.569 55.097 54.840 -0.521 0.000 0.851 24 L CB -0.664 41.102 42.059 -0.488 0.000 0.959 24 L HN 0.266 nan 8.230 nan 0.000 0.451 25 A N -0.295 122.423 122.820 -0.170 0.000 1.908 25 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 25 A C 1.096 178.668 177.584 -0.019 0.000 1.181 25 A CA 1.124 53.100 52.037 -0.101 0.000 0.627 25 A CB -0.403 18.552 19.000 -0.076 0.000 0.818 25 A HN 0.373 nan 8.150 nan 0.000 0.445 26 D N -0.474 119.948 120.400 0.037 0.000 2.417 26 D HA 0.090 4.730 4.640 -0.000 0.000 0.250 26 D C 1.046 177.439 176.300 0.155 0.000 1.166 26 D CA -0.032 54.036 54.000 0.114 0.000 0.881 26 D CB 0.650 41.551 40.800 0.168 0.000 1.164 26 D HN 0.057 nan 8.370 nan 0.000 0.467 27 K N 3.072 123.518 120.400 0.077 0.000 2.103 27 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 27 K C 0.719 177.220 176.600 -0.165 0.000 1.048 27 K CA 1.119 57.355 56.287 -0.085 0.000 0.930 27 K CB -0.165 32.115 32.500 -0.367 0.000 0.716 27 K HN 0.600 nan 8.250 nan 0.000 0.444 28 Y N -0.092 120.335 120.300 0.211 0.000 2.537 28 Y HA 0.055 4.605 4.550 -0.000 0.000 0.303 28 Y C 0.206 176.240 175.900 0.224 0.000 1.176 28 Y CA -1.027 57.194 58.100 0.203 0.000 1.273 28 Y CB -0.594 37.956 38.460 0.150 0.000 1.110 28 Y HN -0.096 nan 8.280 nan 0.000 0.518 29 F N 5.084 125.143 119.950 0.182 0.000 2.604 29 F HA 0.080 4.607 4.527 -0.000 0.000 0.393 29 F C -1.771 174.113 175.800 0.141 0.000 1.043 29 F CA -3.085 54.985 58.000 0.117 0.000 1.227 29 F CB 0.786 39.823 39.000 0.062 0.000 1.016 29 F HN -0.027 nan 8.300 nan 0.000 0.556 30 P HA 0.138 nan 4.420 nan 0.000 0.255 30 P C 0.102 176.978 177.300 -0.707 0.000 1.427 30 P CA 0.773 63.626 63.100 -0.412 0.000 0.863 30 P CB -0.487 31.136 31.700 -0.129 0.000 1.444 31 A N -0.022 121.842 122.820 -1.593 0.000 2.560 31 A HA -0.109 4.211 4.320 -0.000 0.000 0.299 31 A C 0.043 177.125 177.584 -0.837 0.000 1.484 31 A CA 1.204 52.590 52.037 -1.086 0.000 0.749 31 A CB -2.489 16.403 19.000 -0.180 0.000 1.072 31 A HN 0.581 nan 8.150 nan 0.000 0.426 32 L N -1.664 119.003 121.223 -0.926 0.000 2.710 32 L HA 0.845 5.185 4.340 -0.000 0.000 0.260 32 L C -1.597 175.133 176.870 -0.234 0.000 0.993 32 L CA -1.252 53.301 54.840 -0.479 0.000 0.877 32 L CB 1.449 43.317 42.059 -0.318 0.000 1.461 32 L HN 0.294 nan 8.230 nan 0.000 0.413 33 L N 2.070 123.196 121.223 -0.161 0.000 2.436 33 L HA 0.543 4.883 4.340 -0.000 0.000 0.268 33 L C 0.034 176.787 176.870 -0.194 0.000 0.974 33 L CA -0.553 54.223 54.840 -0.107 0.000 0.826 33 L CB 2.455 44.466 42.059 -0.079 0.000 1.291 33 L HN 0.818 nan 8.230 nan 0.000 0.406 34 T N -1.352 113.100 114.554 -0.169 0.000 2.816 34 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 34 T C 1.359 175.923 174.700 -0.226 0.000 0.993 34 T CA 0.026 62.022 62.100 -0.173 0.000 0.994 34 T CB 1.563 70.364 68.868 -0.112 0.000 1.025 34 T HN 0.687 nan 8.240 nan 0.000 0.529 35 G N -0.047 108.641 108.800 -0.186 0.000 2.491 35 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 35 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 35 G C 1.322 176.108 174.900 -0.191 0.000 1.180 35 G CA 0.801 45.783 45.100 -0.197 0.000 0.774 35 G HN 0.872 nan 8.290 nan 0.000 0.562 36 E N 0.284 120.404 120.200 -0.133 0.000 2.086 36 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 36 E C 2.719 179.237 176.600 -0.136 0.000 1.012 36 E CA 1.610 57.943 56.400 -0.111 0.000 0.812 36 E CB -0.192 29.459 29.700 -0.081 0.000 0.743 36 E HN 0.628 nan 8.360 nan 0.000 0.453 37 Q N 0.065 119.772 119.800 -0.155 0.000 2.167 37 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 37 Q C 2.390 178.260 176.000 -0.218 0.000 0.970 37 Q CA 1.073 56.781 55.803 -0.158 0.000 0.855 37 Q CB -0.015 28.642 28.738 -0.135 0.000 0.911 37 Q HN 0.140 nan 8.270 nan 0.000 0.438 38 V N 0.751 120.465 119.914 -0.333 0.000 2.295 38 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 38 V C 2.218 178.135 176.094 -0.296 0.000 1.049 38 V CA 2.040 64.056 62.300 -0.473 0.000 1.024 38 V CB -0.611 30.742 31.823 -0.783 0.000 0.648 38 V HN 0.305 nan 8.190 nan 0.000 0.447 39 S N 0.351 115.917 115.700 -0.223 0.000 2.359 39 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 39 S C 2.205 176.737 174.600 -0.113 0.000 1.035 39 S CA 1.826 59.940 58.200 -0.143 0.000 1.018 39 S CB -0.415 62.719 63.200 -0.109 0.000 0.876 39 S HN 0.648 nan 8.310 nan 0.000 0.448 40 S N 1.701 117.334 115.700 -0.112 0.000 2.370 40 S HA -0.065 4.405 4.470 -0.000 0.000 0.226 40 S C 1.753 176.304 174.600 -0.083 0.000 1.033 40 S CA 0.894 59.043 58.200 -0.085 0.000 1.011 40 S CB -0.466 62.686 63.200 -0.080 0.000 0.852 40 S HN 0.187 nan 8.310 nan 0.000 0.457 41 L N 1.615 122.773 121.223 -0.108 0.000 2.042 41 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 41 L C 2.188 179.013 176.870 -0.075 0.000 1.076 41 L CA 1.695 56.478 54.840 -0.095 0.000 0.749 41 L CB -0.917 41.062 42.059 -0.133 0.000 0.893 41 L HN 0.227 nan 8.230 nan 0.000 0.432 42 K N -1.424 118.923 120.400 -0.088 0.000 2.209 42 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 42 K C 2.133 178.708 176.600 -0.042 0.000 1.048 42 K CA 1.268 57.519 56.287 -0.060 0.000 0.940 42 K CB 0.004 32.463 32.500 -0.067 0.000 0.729 42 K HN 0.194 nan 8.250 nan 0.000 0.451 43 S N 0.128 115.801 115.700 -0.046 0.000 2.406 43 S HA 0.015 4.485 4.470 -0.000 0.000 0.224 43 S C 1.902 176.484 174.600 -0.029 0.000 1.030 43 S CA 0.757 58.936 58.200 -0.034 0.000 0.958 43 S CB 0.176 63.355 63.200 -0.036 0.000 0.811 43 S HN 0.390 nan 8.310 nan 0.000 0.489 44 A N 1.415 124.215 122.820 -0.034 0.000 2.066 44 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 44 A C 1.341 178.909 177.584 -0.025 0.000 1.157 44 A CA 1.172 53.192 52.037 -0.029 0.000 0.670 44 A CB -0.420 18.561 19.000 -0.033 0.000 0.804 44 A HN 0.539 nan 8.150 nan 0.000 0.453 45 T N -5.338 109.201 114.554 -0.025 0.000 2.924 45 T HA 0.553 4.903 4.350 -0.000 0.000 0.291 45 T C 0.717 175.410 174.700 -0.012 0.000 1.045 45 T CA -0.005 62.084 62.100 -0.019 0.000 1.015 45 T CB 1.662 70.519 68.868 -0.018 0.000 1.103 45 T HN 0.299 nan 8.240 nan 0.000 0.496 46 G N 1.007 109.804 108.800 -0.006 0.000 3.181 46 G HA2 0.307 4.267 3.960 -0.000 0.000 0.219 46 G HA3 0.307 4.267 3.960 -0.000 0.000 0.219 46 G C 0.496 175.399 174.900 0.005 0.000 1.182 46 G CA -0.498 44.601 45.100 -0.002 0.000 0.791 46 G HN 0.737 nan 8.290 nan 0.000 0.537 47 L N 1.571 122.800 121.223 0.009 0.000 2.506 47 L HA 0.156 4.496 4.340 -0.000 0.000 0.281 47 L C 0.481 177.365 176.870 0.025 0.000 1.228 47 L CA -0.460 54.395 54.840 0.025 0.000 0.850 47 L CB 0.354 42.434 42.059 0.036 0.000 1.110 47 L HN 0.264 nan 8.230 nan 0.000 0.496 48 D N 0.708 121.132 120.400 0.040 0.000 2.340 48 D HA 0.112 4.752 4.640 -0.000 0.000 0.251 48 D C 0.627 176.968 176.300 0.068 0.000 1.080 48 D CA -0.680 53.346 54.000 0.043 0.000 0.971 48 D CB 0.750 41.575 40.800 0.042 0.000 1.137 48 D HN 0.527 nan 8.370 nan 0.000 0.475 49 E N 0.233 120.487 120.200 0.091 0.000 2.048 49 E HA -0.246 4.104 4.350 -0.000 0.000 0.202 49 E C 1.185 177.836 176.600 0.086 0.000 1.021 49 E CA 1.792 58.319 56.400 0.211 0.000 0.825 49 E CB -0.175 29.672 29.700 0.246 0.000 0.756 49 E HN 0.536 nan 8.360 nan 0.000 0.454 50 D N 0.687 121.030 120.400 -0.095 0.000 2.133 50 D HA -0.173 4.466 4.640 -0.000 0.000 0.195 50 D C 1.897 178.070 176.300 -0.211 0.000 0.997 50 D CA 1.567 55.372 54.000 -0.324 0.000 0.840 50 D CB -0.380 40.271 40.800 -0.247 0.000 0.947 50 D HN 0.233 nan 8.370 nan 0.000 0.452 51 A N 0.482 123.322 122.820 0.032 0.000 1.969 51 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 51 A C 2.136 179.791 177.584 0.117 0.000 1.169 51 A CA 0.721 52.848 52.037 0.149 0.000 0.635 51 A CB -0.526 18.552 19.000 0.130 0.000 0.810 51 A HN 0.217 nan 8.150 nan 0.000 0.445 52 L N -0.150 121.135 121.223 0.103 0.000 2.027 52 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 52 L C 2.644 179.624 176.870 0.184 0.000 1.074 52 L CA 2.172 57.104 54.840 0.154 0.000 0.745 52 L CB -0.871 41.289 42.059 0.168 0.000 0.898 52 L HN 0.321 nan 8.230 nan 0.000 0.433 53 A N -0.720 122.156 122.820 0.093 0.000 1.883 53 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 53 A C 2.105 179.617 177.584 -0.121 0.000 1.186 53 A CA 2.017 53.974 52.037 -0.134 0.000 0.624 53 A CB -1.165 17.456 19.000 -0.632 0.000 0.822 53 A HN 0.458 nan 8.150 nan 0.000 0.444 54 F N 0.212 120.145 119.950 -0.027 0.000 2.202 54 F HA -0.123 4.404 4.527 -0.000 0.000 0.301 54 F C 2.735 178.525 175.800 -0.016 0.000 1.082 54 F CA 0.584 58.569 58.000 -0.026 0.000 1.313 54 F CB -0.825 38.168 39.000 -0.012 0.000 1.024 54 F HN 0.270 nan 8.300 nan 0.000 0.495 55 A N -0.474 122.454 122.820 0.180 0.000 2.014 55 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 55 A C 2.146 179.764 177.584 0.058 0.000 1.163 55 A CA 0.915 53.014 52.037 0.103 0.000 0.652 55 A CB -0.843 18.203 19.000 0.077 0.000 0.808 55 A HN 0.395 nan 8.150 nan 0.000 0.449 56 L N -0.544 120.715 121.223 0.060 0.000 2.492 56 L HA 0.030 4.370 4.340 -0.000 0.000 0.223 56 L C 2.093 178.904 176.870 -0.098 0.000 1.132 56 L CA -0.034 54.815 54.840 0.016 0.000 0.850 56 L CB -0.381 41.738 42.059 0.101 0.000 0.966 56 L HN 0.352 nan 8.230 nan 0.000 0.454 57 L N 0.687 121.872 121.223 -0.063 0.000 2.011 57 L HA -0.251 4.089 4.340 -0.000 0.000 0.225 57 L C -0.183 176.637 176.870 -0.083 0.000 1.084 57 L CA 1.984 56.774 54.840 -0.083 0.000 0.791 57 L CB -1.997 40.074 42.059 0.019 0.000 0.898 57 L HN 0.272 nan 8.230 nan 0.000 0.440 58 P HA -0.192 nan 4.420 nan 0.000 0.219 58 P C 1.751 179.090 177.300 0.065 0.000 1.144 58 P CA 1.548 64.655 63.100 0.013 0.000 0.806 58 P CB -0.020 31.694 31.700 0.025 0.000 0.771 59 L N -1.425 119.829 121.223 0.052 0.000 2.162 59 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 59 L C 2.579 179.579 176.870 0.217 0.000 1.086 59 L CA 1.127 56.104 54.840 0.228 0.000 0.778 59 L CB -1.073 41.116 42.059 0.217 0.000 0.928 59 L HN -0.081 nan 8.230 nan 0.000 0.446 60 A N 0.324 123.008 122.820 -0.227 0.000 1.933 60 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 60 A C 2.447 180.042 177.584 0.018 0.000 1.175 60 A CA 1.691 53.590 52.037 -0.230 0.000 0.628 60 A CB -0.583 18.123 19.000 -0.489 0.000 0.814 60 A HN 0.375 nan 8.150 nan 0.000 0.444 61 A N -0.434 122.381 122.820 -0.009 0.000 2.066 61 A HA 0.324 4.644 4.320 -0.000 0.000 0.218 61 A C 2.312 179.909 177.584 0.021 0.000 1.157 61 A CA 1.434 53.467 52.037 -0.006 0.000 0.670 61 A CB -0.721 18.255 19.000 -0.041 0.000 0.804 61 A HN 0.993 nan 8.150 nan 0.000 0.453 62 A N -1.052 121.825 122.820 0.095 0.000 2.070 62 A HA -0.150 4.169 4.320 -0.000 0.000 0.220 62 A C 1.888 179.450 177.584 -0.036 0.000 1.159 62 A CA 1.554 53.631 52.037 0.067 0.000 0.656 62 A CB -1.047 18.079 19.000 0.211 0.000 0.800 62 A HN 0.598 nan 8.150 nan 0.000 0.453 63 C N -0.245 119.066 119.300 0.019 0.000 2.626 63 C HA 0.524 4.984 4.460 -0.000 0.000 0.266 63 C C 1.579 176.538 174.990 -0.052 0.000 1.317 63 C CA -0.699 58.291 59.018 -0.045 0.000 1.716 63 C CB -2.086 25.694 27.740 0.066 0.000 1.819 63 C HN 0.640 nan 8.230 nan 0.000 0.578 64 A N 1.468 124.261 122.820 -0.045 0.000 2.407 64 A HA 0.537 4.857 4.320 -0.000 0.000 0.248 64 A C 0.245 177.785 177.584 -0.073 0.000 1.082 64 A CA 0.144 52.146 52.037 -0.058 0.000 0.785 64 A CB 0.283 19.244 19.000 -0.065 0.000 1.020 64 A HN 0.631 nan 8.150 nan 0.000 0.489 65 R N 1.937 122.387 120.500 -0.082 0.000 2.407 65 R HA 0.353 4.693 4.340 -0.000 0.000 0.298 65 R C -0.997 175.239 176.300 -0.107 0.000 1.166 65 R CA -0.085 55.969 56.100 -0.076 0.000 1.006 65 R CB 0.953 31.227 30.300 -0.043 0.000 1.145 65 R HN 0.763 nan 8.270 nan 0.000 0.538 66 T N -1.471 113.037 114.554 -0.077 0.000 3.504 66 T HA 0.239 4.589 4.350 -0.000 0.000 0.286 66 T C -1.916 172.755 174.700 -0.049 0.000 1.530 66 T CA -1.661 60.392 62.100 -0.078 0.000 1.652 66 T CB 1.140 69.975 68.868 -0.056 0.000 0.895 66 T HN 0.113 nan 8.240 nan 0.000 0.674 67 P HA -0.051 nan 4.420 nan 0.000 0.219 67 P C 1.211 178.496 177.300 -0.025 0.000 1.146 67 P CA 0.337 63.425 63.100 -0.020 0.000 0.808 67 P CB 0.248 31.944 31.700 -0.006 0.000 0.779 68 L N -0.019 121.178 121.223 -0.044 0.000 2.117 68 L HA -0.023 4.317 4.340 -0.000 0.000 0.200 68 L C 2.670 179.518 176.870 -0.037 0.000 1.110 68 L CA 2.225 57.039 54.840 -0.043 0.000 0.774 68 L CB -1.808 40.214 42.059 -0.061 0.000 0.934 68 L HN -0.018 nan 8.230 nan 0.000 0.456 69 S N -0.756 114.918 115.700 -0.043 0.000 2.355 69 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 69 S C 1.099 175.716 174.600 0.028 0.000 1.031 69 S CA 1.001 59.188 58.200 -0.022 0.000 0.993 69 S CB -0.427 62.765 63.200 -0.014 0.000 0.859 69 S HN 0.514 nan 8.310 nan 0.000 0.453 70 N N -0.146 118.569 118.700 0.024 0.000 2.850 70 N HA -0.166 4.573 4.740 -0.000 0.000 0.249 70 N C -0.857 174.691 175.510 0.064 0.000 1.060 70 N CA 0.871 53.937 53.050 0.026 0.000 0.825 70 N CB -1.816 36.682 38.487 0.019 0.000 1.132 70 N HN 0.597 nan 8.380 nan 0.000 0.564 71 F N 2.135 122.022 119.950 -0.106 0.000 2.291 71 F HA 0.349 4.876 4.527 -0.000 0.000 0.368 71 F C 0.122 175.844 175.800 -0.131 0.000 1.085 71 F CA -0.819 57.101 58.000 -0.134 0.000 1.165 71 F CB 0.056 38.948 39.000 -0.180 0.000 1.429 71 F HN -0.106 nan 8.300 nan 0.000 0.503 72 N N 4.095 122.607 118.700 -0.313 0.000 2.452 72 N HA 0.369 5.109 4.740 -0.000 0.000 0.266 72 N C -1.271 174.017 175.510 -0.371 0.000 1.175 72 N CA -0.194 52.697 53.050 -0.265 0.000 0.945 72 N CB 1.316 39.712 38.487 -0.151 0.000 1.063 72 N HN 0.207 nan 8.380 nan 0.000 0.472 73 V N 1.144 120.930 119.914 -0.215 0.000 2.483 73 V HA 0.699 4.818 4.120 -0.000 0.000 0.297 73 V C 0.568 176.634 176.094 -0.047 0.000 1.027 73 V CA -0.873 61.342 62.300 -0.143 0.000 0.855 73 V CB 1.688 33.476 31.823 -0.058 0.000 0.995 73 V HN 0.759 nan 8.190 nan 0.000 0.424 74 G N 2.723 111.506 108.800 -0.028 0.000 2.432 74 G HA2 0.862 4.822 3.960 -0.000 0.000 0.331 74 G HA3 0.862 4.822 3.960 -0.000 0.000 0.331 74 G C -0.805 174.098 174.900 0.004 0.000 1.170 74 G CA -0.262 44.828 45.100 -0.016 0.000 0.943 74 G HN 1.159 nan 8.290 nan 0.000 0.483 75 A N 0.429 123.253 122.820 0.006 0.000 2.539 75 A HA 0.824 5.143 4.320 -0.000 0.000 0.296 75 A C -1.182 176.403 177.584 0.001 0.000 1.073 75 A CA -0.589 51.460 52.037 0.019 0.000 0.700 75 A CB 1.397 20.439 19.000 0.071 0.000 1.296 75 A HN 0.679 nan 8.150 nan 0.000 0.405 76 I N 1.193 121.741 120.570 -0.037 0.000 2.500 76 I HA 0.523 4.693 4.170 -0.000 0.000 0.286 76 I C 0.215 176.287 176.117 -0.076 0.000 1.063 76 I CA -0.467 60.814 61.300 -0.033 0.000 1.062 76 I CB 1.984 39.879 38.000 -0.176 0.000 1.223 76 I HN 0.773 nan 8.210 nan 0.000 0.435 77 A N 6.965 129.819 122.820 0.056 0.000 2.290 77 A HA 0.687 5.007 4.320 -0.000 0.000 0.310 77 A C -0.221 177.382 177.584 0.031 0.000 1.202 77 A CA -0.583 51.479 52.037 0.043 0.000 0.837 77 A CB 0.514 19.586 19.000 0.121 0.000 1.139 77 A HN 0.714 nan 8.150 nan 0.000 0.509 78 R N 2.450 122.888 120.500 -0.104 0.000 2.215 78 R HA 0.403 4.743 4.340 -0.000 0.000 0.336 78 R C 0.642 177.021 176.300 0.132 0.000 0.996 78 R CA -0.217 55.820 56.100 -0.104 0.000 0.847 78 R CB 1.536 31.630 30.300 -0.345 0.000 1.127 78 R HN 0.846 nan 8.270 nan 0.000 0.465 79 G N 0.703 109.689 108.800 0.309 0.000 2.614 79 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.239 79 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.239 79 G C 0.824 175.841 174.900 0.196 0.000 1.240 79 G CA -0.566 44.716 45.100 0.304 0.000 0.842 79 G HN 0.435 nan 8.290 nan 0.000 0.584 80 V N 1.259 121.262 119.914 0.148 0.000 3.380 80 V HA -0.067 4.053 4.120 -0.000 0.000 0.268 80 V C 2.672 178.830 176.094 0.106 0.000 1.168 80 V CA 2.126 64.490 62.300 0.107 0.000 1.156 80 V CB -0.208 31.662 31.823 0.078 0.000 0.785 80 V HN 0.888 nan 8.190 nan 0.000 0.487 81 S N -0.474 115.305 115.700 0.132 0.000 2.461 81 S HA 0.189 4.659 4.470 -0.000 0.000 0.228 81 S C 1.726 176.377 174.600 0.086 0.000 1.005 81 S CA 1.213 59.476 58.200 0.105 0.000 0.942 81 S CB 0.482 63.759 63.200 0.128 0.000 0.776 81 S HN 1.347 nan 8.310 nan 0.000 0.514 82 G N 0.039 108.914 108.800 0.125 0.000 2.213 82 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.226 82 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.226 82 G C 0.198 175.145 174.900 0.078 0.000 0.992 82 G CA 0.093 45.253 45.100 0.100 0.000 0.632 82 G HN 0.661 nan 8.290 nan 0.000 0.511 83 T N 1.214 115.807 114.554 0.066 0.000 2.907 83 T HA 0.473 4.823 4.350 -0.000 0.000 0.298 83 T C -0.518 174.247 174.700 0.108 0.000 1.017 83 T CA 0.236 62.278 62.100 -0.096 0.000 1.118 83 T CB 1.009 69.655 68.868 -0.371 0.000 0.948 83 T HN 0.256 nan 8.240 nan 0.000 0.531 84 W N 2.648 123.748 121.300 -0.333 0.000 2.429 84 W HA 0.496 5.155 4.660 -0.000 0.000 0.314 84 W C -1.039 175.319 176.519 -0.267 0.000 1.062 84 W CA -1.516 55.742 57.345 -0.145 0.000 1.211 84 W CB 0.193 29.659 29.460 0.010 0.000 1.305 84 W HN 0.587 nan 8.180 nan 0.000 0.476 85 Y N 3.231 123.625 120.300 0.158 0.000 2.352 85 Y HA 0.436 4.986 4.550 -0.000 0.000 0.339 85 Y C 0.174 176.269 175.900 0.325 0.000 0.992 85 Y CA -1.149 56.933 58.100 -0.030 0.000 1.100 85 Y CB 0.779 39.044 38.460 -0.325 0.000 1.192 85 Y HN 0.081 nan 8.280 nan 0.000 0.458 86 F N 1.287 121.409 119.950 0.287 0.000 2.378 86 F HA 0.677 5.204 4.527 -0.000 0.000 0.319 86 F C 0.812 176.825 175.800 0.355 0.000 1.155 86 F CA -1.401 56.774 58.000 0.291 0.000 1.157 86 F CB 1.027 40.188 39.000 0.269 0.000 1.252 86 F HN 0.531 nan 8.300 nan 0.000 0.550 87 G N -0.530 108.507 108.800 0.394 0.000 2.733 87 G HA2 0.725 4.685 3.960 -0.000 0.000 0.297 87 G HA3 0.725 4.685 3.960 -0.000 0.000 0.297 87 G C -2.170 172.819 174.900 0.147 0.000 1.422 87 G CA -0.442 44.810 45.100 0.254 0.000 0.942 87 G HN 0.877 nan 8.290 nan 0.000 0.510 88 A N 1.363 124.245 122.820 0.103 0.000 2.604 88 A HA 0.748 5.068 4.320 -0.000 0.000 0.295 88 A C -0.437 177.156 177.584 0.015 0.000 1.067 88 A CA -0.901 51.165 52.037 0.048 0.000 0.683 88 A CB 1.382 20.407 19.000 0.040 0.000 1.281 88 A HN 1.267 nan 8.150 nan 0.000 0.407 89 N N 0.761 119.446 118.700 -0.024 0.000 2.415 89 N HA 0.514 5.254 4.740 -0.000 0.000 0.248 89 N C -0.396 175.044 175.510 -0.116 0.000 1.271 89 N CA 0.248 53.253 53.050 -0.075 0.000 0.913 89 N CB 0.257 38.667 38.487 -0.129 0.000 1.129 89 N HN 0.771 nan 8.380 nan 0.000 0.444 90 M N -1.254 118.234 119.600 -0.188 0.000 2.378 90 M HA 0.492 4.972 4.480 -0.000 0.000 0.289 90 M C -1.382 174.545 176.300 -0.622 0.000 1.136 90 M CA -0.736 54.356 55.300 -0.346 0.000 0.917 90 M CB 2.756 35.202 32.600 -0.258 0.000 1.669 90 M HN 0.378 nan 8.290 nan 0.000 0.461 91 E N 2.616 122.417 120.200 -0.665 0.000 2.210 91 E HA 0.624 4.974 4.350 -0.000 0.000 0.266 91 E C -1.744 174.432 176.600 -0.706 0.000 0.883 91 E CA -0.686 55.343 56.400 -0.617 0.000 0.761 91 E CB 2.240 31.772 29.700 -0.279 0.000 1.156 91 E HN 0.511 nan 8.360 nan 0.000 0.412 92 F N 2.494 122.418 119.950 -0.042 0.000 2.347 92 F HA 0.299 4.826 4.527 -0.000 0.000 0.366 92 F C 0.345 176.104 175.800 -0.068 0.000 1.107 92 F CA -1.111 56.842 58.000 -0.078 0.000 1.058 92 F CB 0.518 39.441 39.000 -0.129 0.000 1.236 92 F HN 0.304 nan 8.300 nan 0.000 0.456 93 I N 3.034 123.658 120.570 0.090 0.000 2.683 93 I HA 0.126 4.296 4.170 -0.000 0.000 0.286 93 I C 1.353 177.495 176.117 0.041 0.000 1.175 93 I CA 0.853 62.182 61.300 0.048 0.000 1.429 93 I CB -0.042 37.980 38.000 0.037 0.000 1.371 93 I HN 0.933 nan 8.210 nan 0.000 0.569 94 G N 4.178 112.991 108.800 0.022 0.000 2.194 94 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.236 94 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.236 94 G C 0.378 175.275 174.900 -0.005 0.000 0.987 94 G CA 0.369 45.470 45.100 0.003 0.000 0.635 94 G HN 0.970 nan 8.290 nan 0.000 0.520 95 A N -0.677 122.155 122.820 0.020 0.000 3.944 95 A HA 1.002 5.322 4.320 -0.000 0.000 0.151 95 A C 0.744 178.339 177.584 0.019 0.000 1.301 95 A CA 1.062 53.105 52.037 0.009 0.000 1.020 95 A CB 0.253 19.257 19.000 0.007 0.000 1.627 95 A HN 1.746 nan 8.150 nan 0.000 0.661 96 T N -3.419 111.153 114.554 0.030 0.000 2.916 96 T HA 0.466 4.816 4.350 -0.000 0.000 0.292 96 T C 0.886 175.606 174.700 0.033 0.000 1.064 96 T CA -0.640 61.473 62.100 0.022 0.000 1.011 96 T CB 1.083 69.958 68.868 0.012 0.000 1.152 96 T HN 0.315 nan 8.240 nan 0.000 0.510 97 M N 0.295 119.901 119.600 0.011 0.000 2.202 97 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 97 M C 1.883 178.189 176.300 0.010 0.000 1.063 97 M CA 1.581 56.880 55.300 -0.003 0.000 1.097 97 M CB -1.319 31.268 32.600 -0.021 0.000 1.382 97 M HN 0.706 nan 8.290 nan 0.000 0.413 98 Q N 0.009 119.822 119.800 0.021 0.000 2.437 98 Q HA -0.106 4.234 4.340 -0.000 0.000 0.210 98 Q C 1.833 177.875 176.000 0.071 0.000 0.972 98 Q CA 0.890 56.715 55.803 0.036 0.000 0.903 98 Q CB -0.112 28.651 28.738 0.042 0.000 0.967 98 Q HN 0.411 nan 8.270 nan 0.000 0.486 99 Q N -0.748 119.110 119.800 0.096 0.000 2.398 99 Q HA 0.098 4.438 4.340 -0.000 0.000 0.204 99 Q C 0.228 176.393 176.000 0.276 0.000 0.932 99 Q CA 0.359 56.262 55.803 0.167 0.000 0.916 99 Q CB 0.123 28.966 28.738 0.175 0.000 1.024 99 Q HN 0.282 nan 8.270 nan 0.000 0.504 100 T N 0.584 115.228 114.554 0.150 0.000 2.856 100 T HA 0.152 4.502 4.350 -0.000 0.000 0.329 100 T C 0.102 174.865 174.700 0.105 0.000 1.094 100 T CA 0.209 62.331 62.100 0.036 0.000 1.112 100 T CB 0.870 69.703 68.868 -0.059 0.000 1.009 100 T HN -0.139 nan 8.240 nan 0.000 0.550 101 V N 2.534 122.463 119.914 0.024 0.000 2.588 101 V HA 0.297 4.417 4.120 -0.000 0.000 0.304 101 V C -0.168 175.953 176.094 0.045 0.000 1.042 101 V CA -0.876 61.485 62.300 0.102 0.000 0.877 101 V CB 1.744 33.629 31.823 0.103 0.000 0.996 101 V HN 0.854 nan 8.190 nan 0.000 0.425 102 H N 2.494 121.570 119.070 0.011 0.000 2.482 102 H HA 0.361 4.917 4.556 -0.000 0.000 0.344 102 H C 1.178 176.519 175.328 0.021 0.000 1.151 102 H CA 0.001 56.066 56.048 0.029 0.000 1.300 102 H CB 2.184 32.001 29.762 0.091 0.000 1.494 102 H HN 0.791 nan 8.280 nan 0.000 0.542 103 A N 3.088 125.977 122.820 0.117 0.000 1.903 103 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 103 A C 2.037 179.692 177.584 0.117 0.000 1.191 103 A CA 2.122 54.216 52.037 0.095 0.000 0.638 103 A CB -0.384 18.663 19.000 0.077 0.000 0.823 103 A HN 0.755 nan 8.150 nan 0.000 0.451 104 E N -0.084 120.197 120.200 0.135 0.000 2.077 104 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 104 E C 2.190 178.850 176.600 0.100 0.000 0.989 104 E CA 1.607 58.079 56.400 0.120 0.000 0.800 104 E CB -0.349 29.423 29.700 0.120 0.000 0.746 104 E HN 0.797 nan 8.360 nan 0.000 0.452 105 Q N 0.018 119.810 119.800 -0.014 0.000 2.119 105 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 105 Q C 2.292 178.315 176.000 0.038 0.000 0.972 105 Q CA 1.252 56.934 55.803 -0.202 0.000 0.847 105 Q CB -0.167 28.243 28.738 -0.546 0.000 0.903 105 Q HN 0.142 nan 8.270 nan 0.000 0.433 106 S N 0.314 116.061 115.700 0.079 0.000 2.353 106 S HA -0.237 4.233 4.470 -0.000 0.000 0.222 106 S C 1.984 176.705 174.600 0.201 0.000 1.035 106 S CA 1.356 59.632 58.200 0.127 0.000 1.025 106 S CB -0.270 62.998 63.200 0.113 0.000 0.902 106 S HN 0.510 nan 8.310 nan 0.000 0.440 107 A N 0.939 123.884 122.820 0.208 0.000 1.902 107 A HA 0.011 4.330 4.320 -0.000 0.000 0.217 107 A C 2.110 179.812 177.584 0.196 0.000 1.181 107 A CA 1.476 53.662 52.037 0.249 0.000 0.623 107 A CB -0.718 18.398 19.000 0.193 0.000 0.818 107 A HN 0.610 nan 8.150 nan 0.000 0.443 108 I N 0.677 121.363 120.570 0.193 0.000 2.252 108 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 108 I C 2.779 179.040 176.117 0.241 0.000 1.102 108 I CA 1.579 62.990 61.300 0.185 0.000 1.385 108 I CB -0.196 37.969 38.000 0.275 0.000 1.064 108 I HN 0.482 nan 8.210 nan 0.000 0.414 109 S N -0.924 114.969 115.700 0.322 0.000 2.414 109 S HA -0.218 4.252 4.470 -0.000 0.000 0.227 109 S C 1.921 176.691 174.600 0.282 0.000 1.022 109 S CA 0.798 59.248 58.200 0.416 0.000 0.958 109 S CB -0.837 62.637 63.200 0.458 0.000 0.797 109 S HN 0.550 nan 8.310 nan 0.000 0.493 110 H N 1.876 121.002 119.070 0.094 0.000 2.289 110 H HA -0.124 4.432 4.556 -0.000 0.000 0.296 110 H C 2.337 177.567 175.328 -0.163 0.000 1.091 110 H CA 1.383 57.455 56.048 0.040 0.000 1.274 110 H CB -0.431 29.404 29.762 0.122 0.000 1.364 110 H HN 0.528 nan 8.280 nan 0.000 0.490 111 A N 0.781 123.392 122.820 -0.349 0.000 1.858 111 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 111 A C 2.255 179.633 177.584 -0.345 0.000 1.190 111 A CA 1.457 52.838 52.037 -1.094 0.000 0.617 111 A CB -1.443 16.963 19.000 -0.990 0.000 0.827 111 A HN 0.800 nan 8.150 nan 0.000 0.443 112 W N 0.892 122.061 121.300 -0.218 0.000 2.317 112 W HA -0.201 4.459 4.660 0.000 0.000 0.318 112 W C 1.782 178.284 176.519 -0.029 0.000 1.227 112 W CA 1.928 59.219 57.345 -0.090 0.000 1.269 112 W CB -0.865 28.577 29.460 -0.030 0.000 1.155 112 W HN 0.253 nan 8.180 nan 0.000 0.484 113 L N 0.415 121.519 121.223 -0.198 0.000 2.083 113 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 113 L C 2.440 179.226 176.870 -0.141 0.000 1.083 113 L CA 1.678 56.304 54.840 -0.355 0.000 0.752 113 L CB -1.105 40.846 42.059 -0.180 0.000 0.899 113 L HN -0.143 nan 8.230 nan 0.000 0.433 114 S N -0.560 115.135 115.700 -0.008 0.000 2.555 114 S HA 0.043 4.513 4.470 -0.000 0.000 0.230 114 S C 1.499 176.143 174.600 0.074 0.000 0.978 114 S CA 0.889 59.147 58.200 0.096 0.000 0.934 114 S CB 0.155 63.518 63.200 0.272 0.000 0.766 114 S HN 0.709 nan 8.310 nan 0.000 0.533 115 G N 1.181 109.991 108.800 0.018 0.000 2.184 115 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.206 115 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.206 115 G C -0.100 174.856 174.900 0.092 0.000 0.995 115 G CA -0.058 45.070 45.100 0.046 0.000 0.651 115 G HN 0.448 nan 8.290 nan 0.000 0.511 116 E N 1.102 121.361 120.200 0.098 0.000 2.502 116 E HA 0.338 4.688 4.350 -0.000 0.000 0.261 116 E C 1.513 178.180 176.600 0.111 0.000 0.974 116 E CA 0.458 56.928 56.400 0.116 0.000 0.936 116 E CB 0.423 30.149 29.700 0.043 0.000 0.926 116 E HN 0.362 nan 8.360 nan 0.000 0.459 117 K N 2.056 122.515 120.400 0.098 0.000 2.262 117 K HA 0.250 4.569 4.320 -0.000 0.000 0.200 117 K C -0.164 176.463 176.600 0.046 0.000 1.049 117 K CA 0.763 57.095 56.287 0.075 0.000 0.979 117 K CB 0.500 33.037 32.500 0.061 0.000 0.773 117 K HN 0.491 nan 8.250 nan 0.000 0.474 118 A N 0.629 123.478 122.820 0.047 0.000 2.597 118 A HA 0.520 4.840 4.320 -0.000 0.000 0.292 118 A C -1.581 176.026 177.584 0.039 0.000 1.057 118 A CA -0.809 51.240 52.037 0.020 0.000 0.674 118 A CB 0.794 19.799 19.000 0.009 0.000 1.278 118 A HN 0.021 nan 8.150 nan 0.000 0.416 119 L N 0.527 121.761 121.223 0.018 0.000 2.334 119 L HA 0.703 5.043 4.340 -0.000 0.000 0.270 119 L C 1.233 178.121 176.870 0.030 0.000 1.018 119 L CA -0.190 54.671 54.840 0.034 0.000 0.811 119 L CB 1.921 43.989 42.059 0.015 0.000 1.271 119 L HN 1.013 nan 8.230 nan 0.000 0.443 120 A N 1.290 124.133 122.820 0.038 0.000 2.013 120 A HA 0.705 5.025 4.320 -0.000 0.000 0.204 120 A C 0.573 178.176 177.584 0.031 0.000 1.262 120 A CA 0.763 52.821 52.037 0.036 0.000 0.800 120 A CB 0.348 19.377 19.000 0.049 0.000 0.909 120 A HN 0.746 nan 8.150 nan 0.000 0.472 121 A N -1.241 121.584 122.820 0.009 0.000 2.599 121 A HA 0.719 5.039 4.320 -0.000 0.000 0.290 121 A C -1.503 176.064 177.584 -0.029 0.000 1.101 121 A CA -0.202 51.847 52.037 0.020 0.000 0.674 121 A CB 0.607 19.617 19.000 0.018 0.000 1.277 121 A HN 0.874 nan 8.150 nan 0.000 0.419 122 I N -0.139 120.436 120.570 0.007 0.000 2.722 122 I HA 0.685 4.855 4.170 -0.000 0.000 0.295 122 I C -1.113 174.997 176.117 -0.012 0.000 1.161 122 I CA 0.079 61.358 61.300 -0.033 0.000 1.032 122 I CB 2.516 40.519 38.000 0.005 0.000 1.244 122 I HN 0.618 nan 8.210 nan 0.000 0.421 123 T N 6.080 120.579 114.554 -0.092 0.000 2.812 123 T HA 0.692 5.042 4.350 -0.000 0.000 0.282 123 T C -0.927 173.777 174.700 0.005 0.000 0.990 123 T CA -0.486 61.571 62.100 -0.071 0.000 0.960 123 T CB 1.576 70.237 68.868 -0.344 0.000 0.948 123 T HN 0.319 nan 8.240 nan 0.000 0.438 124 V N 3.035 123.009 119.914 0.100 0.000 2.914 124 V HA 0.450 4.570 4.120 -0.000 0.000 0.314 124 V C 0.608 176.788 176.094 0.144 0.000 1.084 124 V CA -1.199 61.162 62.300 0.101 0.000 0.963 124 V CB 2.210 34.090 31.823 0.096 0.000 1.025 124 V HN 0.949 nan 8.190 nan 0.000 0.432 125 N N 0.605 119.381 118.700 0.126 0.000 2.313 125 N HA 0.108 4.848 4.740 -0.000 0.000 0.207 125 N C -0.731 174.876 175.510 0.163 0.000 1.141 125 N CA 0.131 53.252 53.050 0.118 0.000 0.830 125 N CB 0.139 38.671 38.487 0.076 0.000 1.008 125 N HN 0.703 nan 8.380 nan 0.000 0.481 126 Y N -0.953 119.376 120.300 0.048 0.000 2.565 126 Y HA 0.222 4.772 4.550 0.000 0.000 0.330 126 Y C -0.494 175.460 175.900 0.089 0.000 1.150 126 Y CA -0.895 57.254 58.100 0.082 0.000 1.055 126 Y CB 1.607 40.142 38.460 0.124 0.000 1.337 126 Y HN -0.092 nan 8.280 nan 0.000 0.457 127 T N 6.236 120.827 114.554 0.061 0.000 2.916 127 T HA 0.269 4.618 4.350 -0.000 0.000 0.303 127 T C -2.572 172.247 174.700 0.198 0.000 1.025 127 T CA -1.059 61.099 62.100 0.096 0.000 1.142 127 T CB 0.212 69.133 68.868 0.089 0.000 0.947 127 T HN 0.300 nan 8.240 nan 0.000 0.544 128 P HA 0.215 nan 4.420 nan 0.000 0.271 128 P C 0.493 177.872 177.300 0.132 0.000 1.220 128 P CA -0.683 62.479 63.100 0.104 0.000 0.768 128 P CB -0.242 31.452 31.700 -0.011 0.000 0.848 129 C N 1.509 120.916 119.300 0.178 0.000 2.745 129 C HA 0.379 4.839 4.460 -0.000 0.000 0.387 129 C C 2.267 177.325 174.990 0.113 0.000 1.312 129 C CA 0.495 59.607 59.018 0.157 0.000 2.204 129 C CB -0.768 27.091 27.740 0.199 0.000 2.686 129 C HN 0.742 nan 8.230 nan 0.000 0.705 130 G N -0.308 108.556 108.800 0.106 0.000 2.443 130 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 130 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 130 G C 1.382 176.331 174.900 0.081 0.000 1.131 130 G CA 1.328 46.481 45.100 0.090 0.000 0.775 130 G HN 1.082 nan 8.290 nan 0.000 0.547 131 H N -0.095 118.955 119.070 -0.033 0.000 2.321 131 H HA -0.092 4.464 4.556 -0.000 0.000 0.300 131 H C 2.323 177.622 175.328 -0.049 0.000 1.087 131 H CA 2.083 58.086 56.048 -0.076 0.000 1.319 131 H CB -0.532 29.104 29.762 -0.210 0.000 1.379 131 H HN 0.231 nan 8.280 nan 0.000 0.501 132 C N 1.668 120.870 119.300 -0.163 0.000 2.450 132 C HA 0.002 4.462 4.460 -0.000 0.000 0.279 132 C C 2.631 177.634 174.990 0.021 0.000 1.335 132 C CA 0.701 59.663 59.018 -0.093 0.000 1.749 132 C CB -0.641 27.100 27.740 0.001 0.000 1.963 132 C HN 0.645 nan 8.230 nan 0.000 0.501 133 R N 1.083 121.601 120.500 0.029 0.000 2.120 133 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 133 R C 1.919 178.244 176.300 0.041 0.000 1.123 133 R CA 1.360 57.487 56.100 0.045 0.000 0.975 133 R CB -0.658 29.688 30.300 0.075 0.000 0.866 133 R HN 0.481 nan 8.270 nan 0.000 0.446 134 Q N 0.707 120.528 119.800 0.034 0.000 2.083 134 Q HA -0.084 4.255 4.340 -0.000 0.000 0.198 134 Q C 1.745 177.753 176.000 0.014 0.000 0.969 134 Q CA 1.137 56.962 55.803 0.038 0.000 0.838 134 Q CB -0.328 28.440 28.738 0.050 0.000 0.900 134 Q HN 0.269 nan 8.270 nan 0.000 0.436 135 F N 0.265 120.116 119.950 -0.166 0.000 2.095 135 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 135 F C 1.860 177.596 175.800 -0.106 0.000 1.104 135 F CA 1.811 59.711 58.000 -0.166 0.000 1.232 135 F CB -0.270 38.579 39.000 -0.252 0.000 0.987 135 F HN 0.114 nan 8.300 nan 0.000 0.475 136 M N -0.222 119.365 119.600 -0.021 0.000 2.144 136 M HA -0.283 4.197 4.480 -0.000 0.000 0.260 136 M C 1.663 177.872 176.300 -0.151 0.000 1.067 136 M CA 1.965 57.210 55.300 -0.091 0.000 1.095 136 M CB -0.801 31.800 32.600 0.001 0.000 1.365 136 M HN 0.116 nan 8.290 nan 0.000 0.406 137 N N 0.429 119.066 118.700 -0.105 0.000 2.571 137 N HA -0.132 4.607 4.740 -0.000 0.000 0.189 137 N C 1.215 176.642 175.510 -0.139 0.000 1.154 137 N CA 0.788 53.783 53.050 -0.092 0.000 0.907 137 N CB 0.031 38.496 38.487 -0.036 0.000 0.977 137 N HN 0.281 nan 8.380 nan 0.000 0.449 138 E N -0.675 119.382 120.200 -0.239 0.000 2.385 138 E HA 0.132 4.482 4.350 -0.000 0.000 0.194 138 E C 0.032 176.444 176.600 -0.314 0.000 1.013 138 E CA 0.089 56.338 56.400 -0.251 0.000 0.866 138 E CB 0.144 29.631 29.700 -0.354 0.000 0.832 138 E HN 0.351 nan 8.360 nan 0.000 0.500 139 L N 1.633 122.661 121.223 -0.324 0.000 2.472 139 L HA 0.125 4.465 4.340 -0.000 0.000 0.260 139 L C 1.370 178.116 176.870 -0.206 0.000 1.209 139 L CA -0.301 54.356 54.840 -0.305 0.000 0.817 139 L CB 0.124 42.034 42.059 -0.247 0.000 1.106 139 L HN 0.093 nan 8.230 nan 0.000 0.479 140 N N -0.248 118.338 118.700 -0.191 0.000 2.453 140 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 140 N C 1.300 176.759 175.510 -0.086 0.000 1.041 140 N CA 1.163 54.137 53.050 -0.126 0.000 0.900 140 N CB -0.571 37.850 38.487 -0.111 0.000 0.961 140 N HN 0.691 nan 8.380 nan 0.000 0.443 141 S N -1.383 114.266 115.700 -0.085 0.000 2.481 141 S HA 0.239 4.708 4.470 -0.000 0.000 0.231 141 S C 1.394 175.966 174.600 -0.045 0.000 0.996 141 S CA 0.189 58.358 58.200 -0.052 0.000 0.942 141 S CB -1.130 62.044 63.200 -0.043 0.000 0.768 141 S HN 0.736 nan 8.310 nan 0.000 0.520 142 G N 2.092 110.854 108.800 -0.064 0.000 2.574 142 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.282 142 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.282 142 G C 0.351 175.234 174.900 -0.029 0.000 1.257 142 G CA 0.255 45.325 45.100 -0.050 0.000 0.956 142 G HN 0.520 nan 8.290 nan 0.000 0.560 143 L N 0.977 122.192 121.223 -0.014 0.000 2.552 143 L HA 0.126 4.466 4.340 -0.000 0.000 0.227 143 L C 2.062 178.945 176.870 0.021 0.000 1.146 143 L CA 0.902 55.746 54.840 0.007 0.000 0.858 143 L CB -0.177 41.889 42.059 0.012 0.000 0.969 143 L HN 0.444 nan 8.230 nan 0.000 0.451 144 D N -0.017 120.389 120.400 0.011 0.000 2.277 144 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 144 D C 1.004 177.317 176.300 0.022 0.000 0.962 144 D CA 0.193 54.203 54.000 0.017 0.000 0.865 144 D CB 0.152 40.958 40.800 0.009 0.000 0.939 144 D HN 0.078 nan 8.370 nan 0.000 0.510 145 L N 1.456 122.687 121.223 0.014 0.000 2.605 145 L HA -0.099 4.241 4.340 -0.000 0.000 0.296 145 L C 0.348 177.236 176.870 0.031 0.000 1.255 145 L CA 0.642 55.492 54.840 0.016 0.000 0.879 145 L CB 0.275 42.337 42.059 0.005 0.000 1.124 145 L HN -0.234 nan 8.230 nan 0.000 0.507 146 R N 4.147 124.667 120.500 0.034 0.000 2.407 146 R HA 0.697 5.037 4.340 -0.000 0.000 0.303 146 R C -1.101 175.202 176.300 0.005 0.000 0.981 146 R CA -0.304 55.807 56.100 0.018 0.000 0.905 146 R CB 0.798 31.128 30.300 0.050 0.000 1.099 146 R HN 0.696 nan 8.270 nan 0.000 0.459 147 I N 3.876 124.401 120.570 -0.075 0.000 2.447 147 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 147 I C -0.474 175.530 176.117 -0.189 0.000 1.023 147 I CA -0.708 60.550 61.300 -0.070 0.000 1.083 147 I CB 1.688 39.622 38.000 -0.110 0.000 1.245 147 I HN 0.485 nan 8.210 nan 0.000 0.434 148 H N 7.177 126.257 119.070 0.015 0.000 2.476 148 H HA 0.615 5.171 4.556 -0.000 0.000 0.328 148 H C -0.876 174.610 175.328 0.264 0.000 1.073 148 H CA -0.580 55.545 56.048 0.128 0.000 1.229 148 H CB 2.037 31.747 29.762 -0.087 0.000 1.432 148 H HN 0.335 nan 8.280 nan 0.000 0.477 149 L N 4.221 125.691 121.223 0.411 0.000 2.370 149 L HA 0.393 4.733 4.340 -0.000 0.000 0.266 149 L C -2.453 174.416 176.870 -0.002 0.000 1.002 149 L CA -2.441 52.550 54.840 0.253 0.000 0.818 149 L CB 2.247 44.360 42.059 0.091 0.000 1.325 149 L HN 0.370 nan 8.230 nan 0.000 0.418 150 P HA 0.114 nan 4.420 nan 0.000 0.267 150 P C 0.689 177.792 177.300 -0.328 0.000 1.205 150 P CA 0.430 63.181 63.100 -0.581 0.000 0.765 150 P CB 0.776 32.256 31.700 -0.366 0.000 0.828 151 G N 1.976 110.567 108.800 -0.348 0.000 2.160 151 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 151 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 151 G C 0.130 174.979 174.900 -0.085 0.000 1.008 151 G CA -0.058 44.937 45.100 -0.176 0.000 0.724 151 G HN 0.607 nan 8.290 nan 0.000 0.514 152 R N -0.548 119.919 120.500 -0.055 0.000 2.836 152 R HA 0.553 4.893 4.340 -0.000 0.000 0.269 152 R C 0.022 176.351 176.300 0.047 0.000 1.010 152 R CA -0.909 55.217 56.100 0.043 0.000 0.930 152 R CB 1.275 31.650 30.300 0.125 0.000 1.218 152 R HN 0.389 nan 8.270 nan 0.000 0.473 153 E N 0.478 120.689 120.200 0.018 0.000 2.351 153 E HA 0.466 4.816 4.350 -0.000 0.000 0.255 153 E C -0.544 175.875 176.600 -0.303 0.000 1.188 153 E CA -0.811 55.513 56.400 -0.127 0.000 0.940 153 E CB 0.588 30.154 29.700 -0.222 0.000 1.094 153 E HN 0.516 nan 8.360 nan 0.000 0.474 154 A N 1.262 123.866 122.820 -0.359 0.000 2.351 154 A HA 0.320 4.640 4.320 -0.000 0.000 0.257 154 A C -0.532 176.676 177.584 -0.627 0.000 1.087 154 A CA -0.233 51.518 52.037 -0.476 0.000 0.798 154 A CB 0.310 19.007 19.000 -0.503 0.000 1.033 154 A HN 0.593 nan 8.150 nan 0.000 0.488 155 H N -0.728 118.325 119.070 -0.027 0.000 3.008 155 H HA 0.569 5.125 4.556 -0.000 0.000 0.354 155 H C 0.057 175.427 175.328 0.070 0.000 1.252 155 H CA -0.024 56.055 56.048 0.052 0.000 1.117 155 H CB 1.808 31.628 29.762 0.096 0.000 1.857 155 H HN 0.915 nan 8.280 nan 0.000 0.547 156 A N 0.943 123.885 122.820 0.203 0.000 2.272 156 A HA 0.213 4.533 4.320 -0.000 0.000 0.275 156 A C 1.225 178.925 177.584 0.192 0.000 1.096 156 A CA -0.341 51.778 52.037 0.136 0.000 0.822 156 A CB 0.366 19.414 19.000 0.080 0.000 1.088 156 A HN 0.583 nan 8.150 nan 0.000 0.495 157 L N 0.710 122.010 121.223 0.129 0.000 2.083 157 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 157 L C 2.706 179.661 176.870 0.141 0.000 1.083 157 L CA 2.533 57.459 54.840 0.142 0.000 0.752 157 L CB -0.784 41.315 42.059 0.067 0.000 0.899 157 L HN 0.888 nan 8.230 nan 0.000 0.433 158 R N -1.052 119.498 120.500 0.084 0.000 2.154 158 R HA -0.203 4.137 4.340 -0.000 0.000 0.248 158 R C 1.413 177.730 176.300 0.029 0.000 1.155 158 R CA 1.854 57.983 56.100 0.049 0.000 0.979 158 R CB -1.110 29.207 30.300 0.029 0.000 0.869 158 R HN 0.371 nan 8.270 nan 0.000 0.452 159 D N -0.055 120.362 120.400 0.027 0.000 2.234 159 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 159 D C 1.250 177.416 176.300 -0.224 0.000 0.962 159 D CA 1.066 54.994 54.000 -0.120 0.000 0.855 159 D CB -0.107 40.569 40.800 -0.207 0.000 0.951 159 D HN 0.359 nan 8.370 nan 0.000 0.500 160 Y N -0.387 119.892 120.300 -0.035 0.000 2.500 160 Y HA 0.195 4.745 4.550 0.000 0.000 0.270 160 Y C 0.895 176.791 175.900 -0.006 0.000 1.134 160 Y CA 0.126 58.212 58.100 -0.025 0.000 1.293 160 Y CB 0.634 39.096 38.460 0.003 0.000 1.063 160 Y HN -0.162 nan 8.280 nan 0.000 0.534 161 L N 1.812 123.106 121.223 0.118 0.000 2.502 161 L HA 0.457 4.797 4.340 -0.000 0.000 0.249 161 L C -2.797 174.099 176.870 0.043 0.000 1.446 161 L CA -2.081 52.807 54.840 0.081 0.000 0.887 161 L CB 0.456 42.568 42.059 0.089 0.000 1.126 161 L HN -0.243 nan 8.230 nan 0.000 0.509 162 P HA 0.120 nan 4.420 nan 0.000 0.269 162 P C -0.202 177.109 177.300 0.019 0.000 1.209 162 P CA 0.108 63.210 63.100 0.003 0.000 0.776 162 P CB 0.508 32.198 31.700 -0.017 0.000 0.876 163 D N -0.169 120.241 120.400 0.016 0.000 2.802 163 D HA -0.194 4.446 4.640 -0.000 0.000 0.229 163 D C -0.400 175.930 176.300 0.050 0.000 1.203 163 D CA 0.724 54.739 54.000 0.026 0.000 0.712 163 D CB -0.883 39.929 40.800 0.019 0.000 0.973 163 D HN 0.467 nan 8.370 nan 0.000 0.407 164 A N 1.289 124.140 122.820 0.051 0.000 2.322 164 A HA 0.538 4.858 4.320 -0.000 0.000 0.269 164 A C -0.083 177.567 177.584 0.110 0.000 1.094 164 A CA -0.513 51.574 52.037 0.082 0.000 0.807 164 A CB 0.478 19.513 19.000 0.059 0.000 1.047 164 A HN 0.339 nan 8.150 nan 0.000 0.487 165 F N 1.095 121.038 119.950 -0.012 0.000 2.404 165 F HA 0.635 5.162 4.527 -0.000 0.000 0.339 165 F C 0.548 176.338 175.800 -0.017 0.000 1.105 165 F CA 0.633 58.621 58.000 -0.019 0.000 1.087 165 F CB 1.339 40.320 39.000 -0.031 0.000 1.143 165 F HN 0.813 nan 8.300 nan 0.000 0.491 166 G N 4.777 113.167 108.800 -0.682 0.000 2.619 166 G HA2 0.305 4.265 3.960 -0.000 0.000 0.305 166 G HA3 0.305 4.265 3.960 -0.000 0.000 0.305 166 G C -2.718 171.914 174.900 -0.446 0.000 1.330 166 G CA -0.862 43.996 45.100 -0.404 0.000 0.789 166 G HN 0.252 nan 8.290 nan 0.000 0.487 167 P HA -0.099 nan 4.420 nan 0.000 0.218 167 P C 1.647 178.909 177.300 -0.065 0.000 1.148 167 P CA 1.726 64.824 63.100 -0.003 0.000 0.822 167 P CB 0.046 31.797 31.700 0.084 0.000 0.784 168 K N -0.402 119.929 120.400 -0.115 0.000 2.147 168 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 168 K C 1.462 177.993 176.600 -0.116 0.000 1.049 168 K CA 1.419 57.652 56.287 -0.089 0.000 0.936 168 K CB -0.888 31.565 32.500 -0.078 0.000 0.722 168 K HN 0.043 nan 8.250 nan 0.000 0.446 169 D N 0.854 121.110 120.400 -0.240 0.000 2.265 169 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 169 D C 1.190 177.418 176.300 -0.120 0.000 0.977 169 D CA 1.042 54.897 54.000 -0.242 0.000 0.871 169 D CB 0.143 40.605 40.800 -0.564 0.000 0.925 169 D HN 0.240 nan 8.370 nan 0.000 0.485 170 L N -0.099 121.076 121.223 -0.081 0.000 2.769 170 L HA 0.136 4.476 4.340 -0.000 0.000 0.240 170 L C 0.375 177.289 176.870 0.073 0.000 1.163 170 L CA 0.210 55.080 54.840 0.050 0.000 0.962 170 L CB 0.176 42.330 42.059 0.158 0.000 1.258 170 L HN -0.157 nan 8.230 nan 0.000 0.513 171 E N -0.741 119.474 120.200 0.025 0.000 3.181 171 E HA -0.225 4.125 4.350 -0.000 0.000 0.293 171 E C -0.048 176.565 176.600 0.021 0.000 0.936 171 E CA 0.077 56.488 56.400 0.019 0.000 0.975 171 E CB -0.846 28.868 29.700 0.023 0.000 1.496 171 E HN 0.117 nan 8.360 nan 0.000 0.429 172 I N 0.945 121.537 120.570 0.036 0.000 2.371 172 I HA 0.078 4.248 4.170 -0.000 0.000 0.290 172 I C 1.348 177.458 176.117 -0.011 0.000 1.028 172 I CA 0.468 61.771 61.300 0.005 0.000 1.345 172 I CB 1.271 39.281 38.000 0.017 0.000 1.407 172 I HN 0.001 nan 8.210 nan 0.000 0.501 173 K N 2.867 123.251 120.400 -0.026 0.000 2.367 173 K HA 0.145 4.465 4.320 -0.000 0.000 0.195 173 K C -0.029 176.559 176.600 -0.020 0.000 1.060 173 K CA 0.348 56.623 56.287 -0.021 0.000 1.022 173 K CB 0.498 32.987 32.500 -0.018 0.000 0.894 173 K HN 0.767 nan 8.250 nan 0.000 0.540 174 T N 0.863 115.407 114.554 -0.017 0.000 2.767 174 T HA 0.437 4.787 4.350 -0.000 0.000 0.288 174 T C -0.263 174.461 174.700 0.040 0.000 0.963 174 T CA -0.904 61.201 62.100 0.008 0.000 1.019 174 T CB 1.334 70.219 68.868 0.029 0.000 0.923 174 T HN -0.195 nan 8.240 nan 0.000 0.468 175 L N 2.548 123.738 121.223 -0.055 0.000 2.365 175 L HA 0.550 4.890 4.340 -0.000 0.000 0.267 175 L C 0.150 176.749 176.870 -0.451 0.000 1.033 175 L CA -1.632 53.100 54.840 -0.179 0.000 0.802 175 L CB 0.777 42.736 42.059 -0.167 0.000 1.267 175 L HN 0.661 nan 8.230 nan 0.000 0.457 176 L N 2.818 123.570 121.223 -0.786 0.000 2.462 176 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 176 L C 0.619 177.108 176.870 -0.636 0.000 1.166 176 L CA 0.902 55.133 54.840 -1.015 0.000 0.880 176 L CB -0.307 41.099 42.059 -1.089 0.000 1.142 176 L HN 0.690 nan 8.230 nan 0.000 0.473 177 M N 0.416 119.662 119.600 -0.591 0.000 3.046 177 M HA -0.187 4.293 4.480 -0.000 0.000 0.221 177 M C -0.245 175.999 176.300 -0.094 0.000 0.559 177 M CA 0.537 55.676 55.300 -0.267 0.000 0.844 177 M CB -1.620 30.872 32.600 -0.180 0.000 3.005 177 M HN 0.563 nan 8.290 nan 0.000 0.304 178 D N 1.956 122.278 120.400 -0.129 0.000 2.371 178 D HA 0.314 4.954 4.640 -0.000 0.000 0.242 178 D C 0.143 176.451 176.300 0.012 0.000 1.218 178 D CA 0.162 54.132 54.000 -0.050 0.000 0.945 178 D CB 0.575 41.341 40.800 -0.056 0.000 1.137 178 D HN 0.163 nan 8.370 nan 0.000 0.464 179 E N 0.551 120.763 120.200 0.019 0.000 2.259 179 E HA 0.184 4.534 4.350 -0.000 0.000 0.281 179 E C -0.492 176.117 176.600 0.015 0.000 1.037 179 E CA 0.017 56.436 56.400 0.032 0.000 0.854 179 E CB 0.581 30.292 29.700 0.018 0.000 1.051 179 E HN 0.167 nan 8.360 nan 0.000 0.409 180 Q N 2.344 122.152 119.800 0.014 0.000 2.423 180 Q HA 0.437 4.777 4.340 -0.000 0.000 0.278 180 Q C -1.510 174.372 176.000 -0.197 0.000 1.097 180 Q CA -0.910 54.841 55.803 -0.087 0.000 0.809 180 Q CB 2.336 31.061 28.738 -0.021 0.000 1.391 180 Q HN 0.353 nan 8.270 nan 0.000 0.428 181 D N -0.022 120.143 120.400 -0.392 0.000 2.296 181 D HA 0.117 4.757 4.640 -0.000 0.000 0.224 181 D C -0.177 175.880 176.300 -0.405 0.000 1.324 181 D CA -0.221 53.572 54.000 -0.344 0.000 0.940 181 D CB 0.433 41.143 40.800 -0.150 0.000 1.492 181 D HN 0.581 nan 8.370 nan 0.000 0.531 182 H N 2.800 121.849 119.070 -0.035 0.000 2.546 182 H HA 0.206 4.762 4.556 -0.000 0.000 0.277 182 H C 1.550 176.646 175.328 -0.386 0.000 1.004 182 H CA 1.231 57.188 56.048 -0.153 0.000 1.231 182 H CB 0.375 30.111 29.762 -0.042 0.000 1.382 182 H HN 0.691 nan 8.280 nan 0.000 0.580 183 G N 0.312 108.972 108.800 -0.233 0.000 2.160 183 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 183 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 183 G C -0.556 174.159 174.900 -0.309 0.000 1.022 183 G CA -0.151 44.804 45.100 -0.243 0.000 0.741 183 G HN 0.310 nan 8.290 nan 0.000 0.508 184 Y N 0.483 120.820 120.300 0.061 0.000 2.309 184 Y HA 0.558 5.108 4.550 -0.000 0.000 0.327 184 Y C 1.029 176.946 175.900 0.029 0.000 1.172 184 Y CA -0.351 57.776 58.100 0.046 0.000 1.280 184 Y CB 0.965 39.456 38.460 0.051 0.000 1.234 184 Y HN 0.494 nan 8.280 nan 0.000 0.512 185 A N 3.686 126.625 122.820 0.198 0.000 2.450 185 A HA 0.409 4.729 4.320 -0.000 0.000 0.255 185 A C -0.641 177.002 177.584 0.099 0.000 1.096 185 A CA -0.500 51.602 52.037 0.107 0.000 0.778 185 A CB -0.219 18.830 19.000 0.083 0.000 1.031 185 A HN 0.632 nan 8.150 nan 0.000 0.494 186 L N 2.756 124.019 121.223 0.066 0.000 2.380 186 L HA 0.527 4.867 4.340 -0.000 0.000 0.273 186 L C 1.086 177.975 176.870 0.033 0.000 1.138 186 L CA 1.023 55.894 54.840 0.050 0.000 0.832 186 L CB 1.140 43.221 42.059 0.035 0.000 1.124 186 L HN 0.967 nan 8.230 nan 0.000 0.454 187 T N -0.479 114.089 114.554 0.024 0.000 2.762 187 T HA 0.853 5.203 4.350 -0.000 0.000 0.301 187 T C -0.025 174.678 174.700 0.005 0.000 1.299 187 T CA -0.295 61.813 62.100 0.013 0.000 1.005 187 T CB 1.347 70.222 68.868 0.012 0.000 1.377 187 T HN 1.219 nan 8.240 nan 0.000 0.504 188 G N 1.353 110.154 108.800 0.000 0.000 2.632 188 G HA2 0.039 3.999 3.960 -0.000 0.000 0.224 188 G HA3 0.039 3.999 3.960 -0.000 0.000 0.224 188 G C -0.427 174.471 174.900 -0.004 0.000 1.341 188 G CA 0.209 45.307 45.100 -0.003 0.000 0.880 188 G HN 1.417 nan 8.290 nan 0.000 0.566 189 D N 0.352 120.749 120.400 -0.005 0.000 2.356 189 D HA 0.543 5.183 4.640 -0.000 0.000 0.258 189 D C 1.909 178.204 176.300 -0.009 0.000 1.279 189 D CA 0.779 54.775 54.000 -0.007 0.000 1.016 189 D CB -0.081 40.714 40.800 -0.008 0.000 1.107 189 D HN 1.345 nan 8.370 nan 0.000 0.544 190 A N -0.454 122.358 122.820 -0.014 0.000 1.851 190 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 190 A C 2.288 179.860 177.584 -0.019 0.000 1.195 190 A CA 1.901 53.926 52.037 -0.020 0.000 0.622 190 A CB -1.122 17.859 19.000 -0.031 0.000 0.831 190 A HN 0.475 nan 8.150 nan 0.000 0.444 191 L N -0.177 121.035 121.223 -0.018 0.000 1.990 191 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 191 L C 2.754 179.622 176.870 -0.003 0.000 1.072 191 L CA 2.482 57.315 54.840 -0.013 0.000 0.755 191 L CB -0.817 41.237 42.059 -0.007 0.000 0.889 191 L HN 0.358 nan 8.230 nan 0.000 0.432 192 S N -1.440 114.259 115.700 -0.001 0.000 2.383 192 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 192 S C 1.874 176.477 174.600 0.005 0.000 1.030 192 S CA 1.538 59.739 58.200 0.002 0.000 1.002 192 S CB -0.121 63.078 63.200 -0.001 0.000 0.829 192 S HN 0.573 nan 8.310 nan 0.000 0.467 193 Q N -0.181 119.620 119.800 0.002 0.000 2.212 193 Q HA 0.153 4.493 4.340 -0.000 0.000 0.199 193 Q C 2.434 178.439 176.000 0.009 0.000 0.950 193 Q CA 0.939 56.747 55.803 0.008 0.000 0.863 193 Q CB -0.223 28.518 28.738 0.004 0.000 0.944 193 Q HN 0.586 nan 8.270 nan 0.000 0.465 194 A N 1.251 124.070 122.820 -0.002 0.000 1.933 194 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 194 A C 2.260 179.850 177.584 0.010 0.000 1.175 194 A CA 1.640 53.674 52.037 -0.005 0.000 0.628 194 A CB -0.735 18.253 19.000 -0.021 0.000 0.814 194 A HN 0.390 nan 8.150 nan 0.000 0.444 195 A N 0.233 123.062 122.820 0.016 0.000 1.858 195 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 195 A C 2.100 179.708 177.584 0.039 0.000 1.190 195 A CA 1.539 53.592 52.037 0.027 0.000 0.617 195 A CB -0.660 18.353 19.000 0.023 0.000 0.827 195 A HN 0.490 nan 8.150 nan 0.000 0.443 196 I N -0.176 120.416 120.570 0.037 0.000 2.264 196 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 196 I C 2.923 179.097 176.117 0.096 0.000 1.111 196 I CA 1.128 62.465 61.300 0.063 0.000 1.382 196 I CB -0.593 37.444 38.000 0.062 0.000 1.060 196 I HN 0.391 nan 8.210 nan 0.000 0.418 197 A N 1.076 123.934 122.820 0.063 0.000 1.873 197 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 197 A C 2.620 180.241 177.584 0.061 0.000 1.186 197 A CA 1.777 53.847 52.037 0.056 0.000 0.616 197 A CB -0.769 18.244 19.000 0.022 0.000 0.823 197 A HN 0.416 nan 8.150 nan 0.000 0.442 198 A N -0.003 122.845 122.820 0.046 0.000 1.908 198 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 198 A C 2.498 180.158 177.584 0.128 0.000 1.181 198 A CA 2.240 54.304 52.037 0.046 0.000 0.627 198 A CB -1.098 17.921 19.000 0.032 0.000 0.818 198 A HN 1.162 nan 8.150 nan 0.000 0.445 199 A N -0.073 122.836 122.820 0.148 0.000 2.024 199 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 199 A C 1.883 179.675 177.584 0.348 0.000 1.164 199 A CA 1.849 54.016 52.037 0.216 0.000 0.643 199 A CB -0.633 18.455 19.000 0.147 0.000 0.806 199 A HN 0.538 nan 8.150 nan 0.000 0.451 200 N N -0.308 118.567 118.700 0.292 0.000 2.309 200 N HA -0.062 4.678 4.740 -0.000 0.000 0.182 200 N C 1.480 177.111 175.510 0.202 0.000 1.018 200 N CA 0.783 54.009 53.050 0.293 0.000 0.876 200 N CB -0.221 38.353 38.487 0.145 0.000 0.972 200 N HN 0.503 nan 8.380 nan 0.000 0.434 201 R N 0.601 121.218 120.500 0.195 0.000 2.334 201 R HA 0.124 4.464 4.340 -0.000 0.000 0.216 201 R C 0.380 176.945 176.300 0.442 0.000 0.905 201 R CA -0.090 56.120 56.100 0.183 0.000 1.064 201 R CB 0.139 30.486 30.300 0.078 0.000 1.046 201 R HN 0.138 nan 8.270 nan 0.000 0.508 202 S N 0.504 116.522 115.700 0.530 0.000 2.568 202 S HA -0.038 4.432 4.470 -0.000 0.000 0.282 202 S C -0.171 174.781 174.600 0.587 0.000 1.338 202 S CA -0.445 58.108 58.200 0.587 0.000 1.045 202 S CB 0.805 64.300 63.200 0.491 0.000 0.873 202 S HN 0.279 nan 8.310 nan 0.000 0.516 203 H N 2.610 121.841 119.070 0.268 0.000 2.690 203 H HA 0.525 5.081 4.556 -0.000 0.000 0.289 203 H C -0.173 175.091 175.328 -0.106 0.000 1.089 203 H CA -0.752 55.308 56.048 0.021 0.000 1.299 203 H CB 0.143 29.791 29.762 -0.190 0.000 1.405 203 H HN 0.742 nan 8.280 nan 0.000 0.463 204 M N 4.449 123.814 119.600 -0.392 0.000 4.590 204 M HA 0.288 4.768 4.480 -0.000 0.000 0.545 204 M C -2.562 173.508 176.300 -0.384 0.000 2.120 204 M CA -1.233 53.869 55.300 -0.330 0.000 0.513 204 M CB 1.572 34.153 32.600 -0.033 0.000 1.450 204 M HN 0.204 nan 8.290 nan 0.000 0.599 205 P HA -0.068 nan 4.420 nan 0.000 0.223 205 P C 0.479 177.469 177.300 -0.517 0.000 1.151 205 P CA 1.469 64.207 63.100 -0.603 0.000 0.787 205 P CB -0.086 31.116 31.700 -0.830 0.000 0.788 206 Y N 0.584 120.785 120.300 -0.166 0.000 2.262 206 Y HA -0.003 4.547 4.550 -0.000 0.000 0.295 206 Y C 2.805 178.651 175.900 -0.090 0.000 1.121 206 Y CA 1.490 59.534 58.100 -0.094 0.000 1.144 206 Y CB -1.222 37.143 38.460 -0.157 0.000 1.043 206 Y HN 0.052 nan 8.280 nan 0.000 0.528 207 S N -1.022 114.691 115.700 0.021 0.000 2.492 207 S HA 0.123 4.593 4.470 -0.000 0.000 0.218 207 S C 0.887 175.495 174.600 0.013 0.000 1.016 207 S CA 0.322 58.533 58.200 0.019 0.000 0.916 207 S CB -0.039 63.172 63.200 0.018 0.000 0.791 207 S HN 0.243 nan 8.310 nan 0.000 0.513 208 K N 0.836 121.223 120.400 -0.020 0.000 3.230 208 K HA -0.108 4.212 4.320 -0.000 0.000 0.285 208 K C -0.973 175.624 176.600 -0.006 0.000 1.196 208 K CA 0.887 57.154 56.287 -0.034 0.000 0.838 208 K CB -2.121 30.363 32.500 -0.026 0.000 1.262 208 K HN 0.500 nan 8.250 nan 0.000 0.492 209 S N 1.406 117.128 115.700 0.036 0.000 2.532 209 S HA 0.383 4.853 4.470 -0.000 0.000 0.318 209 S C -2.372 172.239 174.600 0.019 0.000 1.083 209 S CA -1.309 56.892 58.200 0.000 0.000 1.131 209 S CB 1.391 64.561 63.200 -0.049 0.000 0.973 209 S HN -0.019 nan 8.310 nan 0.000 0.468 210 P HA 0.402 nan 4.420 nan 0.000 0.275 210 P C -0.452 176.845 177.300 -0.006 0.000 1.228 210 P CA -0.273 62.871 63.100 0.072 0.000 0.786 210 P CB 0.983 32.748 31.700 0.108 0.000 0.927 211 S N 0.529 116.265 115.700 0.061 0.000 2.567 211 S HA 0.831 5.301 4.470 -0.000 0.000 0.270 211 S C -0.911 173.747 174.600 0.097 0.000 1.152 211 S CA -0.653 57.537 58.200 -0.016 0.000 0.835 211 S CB 1.412 64.490 63.200 -0.203 0.000 1.115 211 S HN 0.676 nan 8.310 nan 0.000 0.459 212 G N 0.039 108.876 108.800 0.062 0.000 2.718 212 G HA2 0.651 4.611 3.960 -0.000 0.000 0.295 212 G HA3 0.651 4.611 3.960 -0.000 0.000 0.295 212 G C -1.967 172.966 174.900 0.055 0.000 1.421 212 G CA -0.713 44.436 45.100 0.082 0.000 0.902 212 G HN 1.164 nan 8.290 nan 0.000 0.501 213 V N 0.260 120.208 119.914 0.057 0.000 2.638 213 V HA 0.813 4.933 4.120 -0.000 0.000 0.306 213 V C -0.005 176.115 176.094 0.044 0.000 1.052 213 V CA -0.528 61.798 62.300 0.045 0.000 0.885 213 V CB 1.538 33.382 31.823 0.035 0.000 0.999 213 V HN 1.364 nan 8.190 nan 0.000 0.424 214 A N 5.824 128.667 122.820 0.038 0.000 2.355 214 A HA 0.948 5.268 4.320 -0.000 0.000 0.317 214 A C -1.209 176.399 177.584 0.039 0.000 1.094 214 A CA -0.552 51.506 52.037 0.036 0.000 0.764 214 A CB 1.266 20.275 19.000 0.016 0.000 1.230 214 A HN 0.764 nan 8.150 nan 0.000 0.448 215 L N 1.512 122.773 121.223 0.062 0.000 2.341 215 L HA 0.529 4.869 4.340 -0.000 0.000 0.278 215 L C 0.049 176.940 176.870 0.035 0.000 1.005 215 L CA -0.433 54.449 54.840 0.069 0.000 0.818 215 L CB 1.981 44.117 42.059 0.129 0.000 1.259 215 L HN 0.863 nan 8.230 nan 0.000 0.418 216 E N 1.888 122.096 120.200 0.013 0.000 2.134 216 E HA 0.338 4.688 4.350 -0.000 0.000 0.278 216 E C -1.104 175.495 176.600 -0.002 0.000 0.959 216 E CA -0.604 55.779 56.400 -0.028 0.000 0.783 216 E CB 1.424 31.111 29.700 -0.021 0.000 1.095 216 E HN 0.618 nan 8.360 nan 0.000 0.399 217 C N 4.023 123.299 119.300 -0.040 0.000 2.403 217 C HA 0.227 4.687 4.460 -0.000 0.000 0.361 217 C C 1.759 176.773 174.990 0.040 0.000 1.274 217 C CA -0.821 58.214 59.018 0.029 0.000 2.433 217 C CB 0.949 28.696 27.740 0.011 0.000 2.323 217 C HN 0.867 nan 8.230 nan 0.000 0.614 218 K N 2.019 122.475 120.400 0.092 0.000 2.032 218 K HA -0.182 4.137 4.320 -0.000 0.000 0.218 218 K C 1.288 177.917 176.600 0.047 0.000 1.054 218 K CA 2.293 58.624 56.287 0.073 0.000 0.941 218 K CB -0.982 31.573 32.500 0.091 0.000 0.720 218 K HN 0.912 nan 8.250 nan 0.000 0.449 219 D N -0.652 119.787 120.400 0.065 0.000 2.407 219 D HA -0.021 4.619 4.640 -0.000 0.000 0.234 219 D C 1.003 177.291 176.300 -0.020 0.000 1.029 219 D CA 1.016 55.033 54.000 0.029 0.000 0.937 219 D CB -0.443 40.388 40.800 0.051 0.000 0.882 219 D HN 0.406 nan 8.370 nan 0.000 0.531 220 G N -0.359 108.419 108.800 -0.036 0.000 2.159 220 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.256 220 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.256 220 G C 0.388 175.202 174.900 -0.144 0.000 0.977 220 G CA -0.088 44.969 45.100 -0.072 0.000 0.652 220 G HN 0.420 nan 8.290 nan 0.000 0.531 221 R N 0.035 120.409 120.500 -0.210 0.000 2.643 221 R HA 0.484 4.824 4.340 -0.000 0.000 0.270 221 R C 0.370 176.362 176.300 -0.513 0.000 1.061 221 R CA 0.089 55.935 56.100 -0.424 0.000 1.107 221 R CB 0.159 30.077 30.300 -0.637 0.000 0.999 221 R HN 0.399 nan 8.270 nan 0.000 0.460 222 I N 4.519 124.717 120.570 -0.619 0.000 2.468 222 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 222 I C -0.857 174.918 176.117 -0.570 0.000 1.038 222 I CA -0.620 60.395 61.300 -0.474 0.000 1.083 222 I CB 1.108 38.965 38.000 -0.237 0.000 1.223 222 I HN 0.257 nan 8.210 nan 0.000 0.443 223 F N 4.361 124.242 119.950 -0.115 0.000 2.410 223 F HA 0.438 4.965 4.527 -0.000 0.000 0.349 223 F C 0.763 176.527 175.800 -0.060 0.000 1.117 223 F CA -0.556 57.388 58.000 -0.092 0.000 1.104 223 F CB 1.712 40.652 39.000 -0.101 0.000 1.122 223 F HN 0.364 nan 8.300 nan 0.000 0.483 224 S N 1.308 117.088 115.700 0.134 0.000 2.542 224 S HA 0.921 5.391 4.470 -0.000 0.000 0.293 224 S C -0.429 174.197 174.600 0.043 0.000 1.089 224 S CA -0.870 57.370 58.200 0.067 0.000 0.961 224 S CB 1.832 65.044 63.200 0.020 0.000 1.062 224 S HN 0.864 nan 8.310 nan 0.000 0.483 225 G N 0.568 109.393 108.800 0.042 0.000 2.416 225 G HA2 0.589 4.548 3.960 -0.000 0.000 0.329 225 G HA3 0.589 4.548 3.960 -0.000 0.000 0.329 225 G C -0.894 174.039 174.900 0.054 0.000 1.173 225 G CA -0.665 44.459 45.100 0.040 0.000 0.929 225 G HN 0.707 nan 8.290 nan 0.000 0.475 226 S N -0.212 115.507 115.700 0.031 0.000 2.509 226 S HA 0.413 4.883 4.470 -0.000 0.000 0.297 226 S C -0.896 173.947 174.600 0.405 0.000 1.118 226 S CA -0.435 57.848 58.200 0.138 0.000 1.074 226 S CB 1.152 64.308 63.200 -0.073 0.000 1.038 226 S HN 0.520 nan 8.310 nan 0.000 0.498 227 Y N 2.447 122.919 120.300 0.287 0.000 2.425 227 Y HA 0.455 5.005 4.550 0.000 0.000 0.331 227 Y C -0.133 176.009 175.900 0.403 0.000 1.157 227 Y CA -0.954 57.318 58.100 0.287 0.000 1.372 227 Y CB 0.318 38.886 38.460 0.180 0.000 1.253 227 Y HN 0.599 nan 8.280 nan 0.000 0.536 228 A N 6.749 129.570 122.820 0.002 0.000 2.545 228 A HA 0.375 4.695 4.320 -0.000 0.000 0.300 228 A C -0.448 176.999 177.584 -0.228 0.000 1.252 228 A CA -0.778 51.226 52.037 -0.055 0.000 0.753 228 A CB 0.155 19.208 19.000 0.088 0.000 1.144 228 A HN 0.867 nan 8.150 nan 0.000 0.457 229 E N 1.321 121.301 120.200 -0.367 0.000 2.410 229 E HA 0.138 4.488 4.350 -0.000 0.000 0.255 229 E C -0.273 176.412 176.600 0.141 0.000 1.194 229 E CA -0.219 56.064 56.400 -0.195 0.000 0.955 229 E CB 0.762 30.352 29.700 -0.183 0.000 0.988 229 E HN 0.681 nan 8.360 nan 0.000 0.461 230 N N -0.366 118.427 118.700 0.156 0.000 2.235 230 N HA 0.183 4.923 4.740 -0.000 0.000 0.293 230 N C -0.086 175.414 175.510 -0.017 0.000 1.083 230 N CA -0.023 53.120 53.050 0.155 0.000 0.801 230 N CB 1.797 40.362 38.487 0.131 0.000 1.559 230 N HN 0.439 nan 8.380 nan 0.000 0.472 231 A N 2.883 125.655 122.820 -0.081 0.000 1.948 231 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 231 A C 1.702 179.377 177.584 0.152 0.000 1.177 231 A CA 2.234 54.082 52.037 -0.315 0.000 0.636 231 A CB -0.726 18.198 19.000 -0.126 0.000 0.815 231 A HN 0.739 nan 8.150 nan 0.000 0.449 232 A N -2.962 120.019 122.820 0.268 0.000 2.252 232 A HA 0.398 4.718 4.320 -0.000 0.000 0.207 232 A C 0.938 178.677 177.584 0.258 0.000 1.194 232 A CA 0.618 52.773 52.037 0.198 0.000 0.809 232 A CB -0.736 18.340 19.000 0.128 0.000 0.814 232 A HN 0.622 nan 8.150 nan 0.000 0.482 233 F N -1.432 118.477 119.950 -0.068 0.000 2.550 233 F HA -0.433 4.094 4.527 -0.000 0.000 0.715 233 F C 1.578 177.410 175.800 0.053 0.000 0.486 233 F CA 2.026 60.012 58.000 -0.024 0.000 0.724 233 F CB -1.862 37.126 39.000 -0.020 0.000 1.603 233 F HN 0.385 nan 8.300 nan 0.000 0.270 234 N N 1.564 120.440 118.700 0.294 0.000 2.060 234 N HA -0.148 4.592 4.740 -0.000 0.000 0.195 234 N C -1.122 174.525 175.510 0.229 0.000 1.028 234 N CA 2.284 55.463 53.050 0.214 0.000 0.861 234 N CB -1.364 37.222 38.487 0.165 0.000 1.029 234 N HN 0.415 nan 8.380 nan 0.000 0.428 235 P HA 0.004 nan 4.420 nan 0.000 0.239 235 P C -0.205 177.255 177.300 0.267 0.000 1.184 235 P CA 0.575 63.810 63.100 0.225 0.000 0.760 235 P CB -0.168 31.558 31.700 0.043 0.000 0.884 236 T N 1.124 115.818 114.554 0.233 0.000 2.923 236 T HA -0.038 4.312 4.350 -0.000 0.000 0.320 236 T C 0.189 175.032 174.700 0.238 0.000 1.074 236 T CA 0.577 62.801 62.100 0.207 0.000 1.131 236 T CB -0.008 68.930 68.868 0.117 0.000 1.058 236 T HN -0.122 nan 8.240 nan 0.000 0.535 237 L N 7.453 128.834 121.223 0.263 0.000 2.264 237 L HA 0.408 4.748 4.340 -0.000 0.000 0.287 237 L C -2.134 174.914 176.870 0.297 0.000 1.039 237 L CA -2.204 52.786 54.840 0.249 0.000 0.829 237 L CB 0.812 43.045 42.059 0.290 0.000 1.211 237 L HN 0.360 nan 8.230 nan 0.000 0.427 238 P HA 0.205 nan 4.420 nan 0.000 0.272 238 P C -2.342 175.131 177.300 0.288 0.000 1.223 238 P CA -1.372 61.931 63.100 0.338 0.000 0.784 238 P CB 0.048 31.864 31.700 0.192 0.000 0.923 239 P HA -0.135 nan 4.420 nan 0.000 0.216 239 P C 1.822 179.193 177.300 0.118 0.000 1.150 239 P CA 1.182 64.409 63.100 0.211 0.000 0.837 239 P CB -0.061 31.729 31.700 0.150 0.000 0.786 240 L N -0.726 120.533 121.223 0.060 0.000 1.971 240 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 240 L C 2.619 179.499 176.870 0.016 0.000 1.072 240 L CA 2.052 56.892 54.840 -0.001 0.000 0.758 240 L CB -0.812 41.199 42.059 -0.080 0.000 0.889 240 L HN -0.078 nan 8.230 nan 0.000 0.433 241 Q N -0.166 119.661 119.800 0.044 0.000 2.133 241 Q HA -0.203 4.137 4.340 -0.000 0.000 0.208 241 Q C 1.944 178.009 176.000 0.108 0.000 0.991 241 Q CA 1.917 57.775 55.803 0.091 0.000 0.867 241 Q CB -0.903 27.920 28.738 0.142 0.000 0.911 241 Q HN 0.698 nan 8.270 nan 0.000 0.417 242 G N 0.057 108.931 108.800 0.123 0.000 2.586 242 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 242 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 242 G C 1.464 176.401 174.900 0.062 0.000 1.216 242 G CA 1.549 46.718 45.100 0.116 0.000 0.786 242 G HN 0.517 nan 8.290 nan 0.000 0.583 243 A N 0.601 123.453 122.820 0.054 0.000 1.903 243 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 243 A C 2.503 180.078 177.584 -0.015 0.000 1.191 243 A CA 1.857 53.921 52.037 0.044 0.000 0.638 243 A CB -0.595 18.443 19.000 0.063 0.000 0.823 243 A HN 0.408 nan 8.150 nan 0.000 0.451 244 L N -0.777 120.453 121.223 0.013 0.000 2.191 244 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 244 L C 2.421 179.302 176.870 0.018 0.000 1.103 244 L CA 0.824 55.688 54.840 0.040 0.000 0.769 244 L CB -0.550 41.586 42.059 0.128 0.000 0.908 244 L HN 0.400 nan 8.230 nan 0.000 0.438 245 I N -0.211 120.369 120.570 0.018 0.000 2.113 245 I HA -0.309 3.860 4.170 -0.000 0.000 0.238 245 I C 2.460 178.486 176.117 -0.152 0.000 1.070 245 I CA 1.438 62.730 61.300 -0.014 0.000 1.332 245 I CB -0.263 37.756 38.000 0.031 0.000 1.044 245 I HN 0.176 nan 8.210 nan 0.000 0.402 246 L N 0.327 121.435 121.223 -0.191 0.000 1.971 246 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 246 L C 2.659 179.164 176.870 -0.609 0.000 1.072 246 L CA 1.546 56.200 54.840 -0.309 0.000 0.758 246 L CB -0.746 41.238 42.059 -0.125 0.000 0.889 246 L HN 0.323 nan 8.230 nan 0.000 0.433 247 L N 0.096 120.787 121.223 -0.886 0.000 2.051 247 L HA -0.319 4.021 4.340 -0.000 0.000 0.214 247 L C 2.488 179.074 176.870 -0.473 0.000 1.076 247 L CA 2.163 56.282 54.840 -1.201 0.000 0.758 247 L CB -0.500 41.122 42.059 -0.728 0.000 0.890 247 L HN 0.457 nan 8.230 nan 0.000 0.433 248 N N -0.203 118.346 118.700 -0.252 0.000 2.135 248 N HA -0.177 4.562 4.740 -0.000 0.000 0.186 248 N C 2.031 177.459 175.510 -0.136 0.000 1.027 248 N CA 1.366 54.326 53.050 -0.150 0.000 0.849 248 N CB -0.115 38.315 38.487 -0.095 0.000 1.002 248 N HN 0.441 nan 8.380 nan 0.000 0.425 249 L N 1.109 122.239 121.223 -0.155 0.000 2.042 249 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 249 L C 2.026 178.844 176.870 -0.086 0.000 1.076 249 L CA 1.101 55.868 54.840 -0.122 0.000 0.749 249 L CB -0.326 41.591 42.059 -0.237 0.000 0.893 249 L HN 0.116 nan 8.230 nan 0.000 0.432 250 K N 0.090 120.457 120.400 -0.054 0.000 2.555 250 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 250 K C 1.345 178.147 176.600 0.337 0.000 1.032 250 K CA 0.907 57.286 56.287 0.152 0.000 1.004 250 K CB -0.074 32.593 32.500 0.279 0.000 0.804 250 K HN 0.499 nan 8.250 nan 0.000 0.496 251 G N 0.130 109.018 108.800 0.147 0.000 2.195 251 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.224 251 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.224 251 G C -0.076 174.880 174.900 0.093 0.000 0.990 251 G CA -0.305 44.830 45.100 0.058 0.000 0.639 251 G HN 0.199 nan 8.290 nan 0.000 0.514 252 Y N 0.807 121.198 120.300 0.151 0.000 2.340 252 Y HA 0.691 5.241 4.550 -0.000 0.000 0.327 252 Y C 0.567 176.443 175.900 -0.040 0.000 1.321 252 Y CA -0.544 57.634 58.100 0.129 0.000 1.433 252 Y CB 0.763 39.312 38.460 0.148 0.000 1.373 252 Y HN 0.086 nan 8.280 nan 0.000 0.538 253 D N -1.690 118.783 120.400 0.122 0.000 2.645 253 D HA 0.183 4.823 4.640 -0.000 0.000 0.228 253 D C 0.102 176.413 176.300 0.019 0.000 1.148 253 D CA -0.643 53.300 54.000 -0.095 0.000 0.860 253 D CB 0.937 41.673 40.800 -0.106 0.000 1.548 253 D HN 0.332 nan 8.370 nan 0.000 0.460 254 Y N 1.271 121.624 120.300 0.087 0.000 2.062 254 Y HA -0.182 4.368 4.550 -0.000 0.000 0.273 254 Y C -0.666 175.270 175.900 0.060 0.000 1.206 254 Y CA 1.635 59.771 58.100 0.060 0.000 1.125 254 Y CB -2.294 36.193 38.460 0.045 0.000 0.951 254 Y HN 0.461 nan 8.280 nan 0.000 0.501 255 P HA -0.090 nan 4.420 nan 0.000 0.226 255 P C 0.418 177.797 177.300 0.132 0.000 1.146 255 P CA 1.738 64.922 63.100 0.140 0.000 0.773 255 P CB -0.048 31.716 31.700 0.107 0.000 0.772 256 D N -0.892 119.608 120.400 0.167 0.000 2.340 256 D HA 0.056 4.696 4.640 -0.000 0.000 0.220 256 D C 0.797 177.201 176.300 0.174 0.000 1.039 256 D CA 0.147 54.264 54.000 0.195 0.000 0.866 256 D CB -0.094 40.902 40.800 0.327 0.000 0.913 256 D HN 0.265 nan 8.370 nan 0.000 0.523 257 I N 1.429 122.089 120.570 0.150 0.000 2.452 257 I HA -0.021 4.149 4.170 -0.000 0.000 0.287 257 I C 1.682 177.845 176.117 0.077 0.000 1.079 257 I CA 0.113 61.481 61.300 0.113 0.000 1.387 257 I CB 1.226 39.282 38.000 0.093 0.000 1.404 257 I HN -0.195 nan 8.210 nan 0.000 0.522 258 Q N 6.502 126.341 119.800 0.064 0.000 2.159 258 Q HA 0.157 4.497 4.340 -0.000 0.000 0.194 258 Q C 0.439 176.462 176.000 0.038 0.000 0.968 258 Q CA 0.577 56.410 55.803 0.049 0.000 0.837 258 Q CB 0.554 29.317 28.738 0.042 0.000 0.920 258 Q HN 0.715 nan 8.270 nan 0.000 0.485 259 R N -1.462 119.057 120.500 0.032 0.000 2.781 259 R HA 0.805 5.145 4.340 -0.000 0.000 0.269 259 R C -1.914 174.402 176.300 0.026 0.000 1.025 259 R CA -0.645 55.472 56.100 0.029 0.000 0.914 259 R CB 1.580 31.898 30.300 0.030 0.000 1.236 259 R HN 0.042 nan 8.270 nan 0.000 0.465 260 A N 1.168 124.006 122.820 0.029 0.000 2.520 260 A HA 0.648 4.968 4.320 -0.000 0.000 0.298 260 A C -1.530 176.084 177.584 0.049 0.000 1.051 260 A CA -0.699 51.356 52.037 0.030 0.000 0.690 260 A CB 2.341 21.348 19.000 0.011 0.000 1.281 260 A HN 0.377 nan 8.150 nan 0.000 0.402 261 V N 1.688 121.631 119.914 0.047 0.000 2.769 261 V HA 0.722 4.842 4.120 -0.000 0.000 0.312 261 V C -1.047 175.089 176.094 0.070 0.000 1.061 261 V CA -0.573 61.765 62.300 0.062 0.000 0.931 261 V CB 1.836 33.681 31.823 0.037 0.000 1.010 261 V HN 1.072 nan 8.190 nan 0.000 0.433 262 L N 3.938 125.222 121.223 0.101 0.000 2.385 262 L HA 0.981 5.321 4.340 -0.000 0.000 0.273 262 L C -0.295 176.609 176.870 0.057 0.000 0.990 262 L CA -0.268 54.629 54.840 0.094 0.000 0.821 262 L CB 1.588 43.753 42.059 0.176 0.000 1.279 262 L HN 0.727 nan 8.230 nan 0.000 0.412 263 A N 4.514 127.348 122.820 0.024 0.000 2.330 263 A HA 0.872 5.192 4.320 -0.000 0.000 0.327 263 A C -0.779 176.776 177.584 -0.048 0.000 1.155 263 A CA -0.214 51.813 52.037 -0.017 0.000 0.803 263 A CB 0.726 19.715 19.000 -0.019 0.000 1.208 263 A HN 0.894 nan 8.150 nan 0.000 0.477 264 E N 1.479 121.626 120.200 -0.087 0.000 2.439 264 E HA 0.375 4.725 4.350 -0.000 0.000 0.279 264 E C -1.347 175.163 176.600 -0.150 0.000 1.077 264 E CA -1.176 55.153 56.400 -0.118 0.000 0.849 264 E CB 0.801 30.446 29.700 -0.092 0.000 1.408 264 E HN 0.402 nan 8.360 nan 0.000 0.457 265 K N -0.109 120.198 120.400 -0.155 0.000 2.202 265 K HA 0.368 4.688 4.320 -0.000 0.000 0.264 265 K C 0.579 177.120 176.600 -0.099 0.000 1.010 265 K CA 0.479 56.682 56.287 -0.140 0.000 0.940 265 K CB 1.336 33.771 32.500 -0.108 0.000 0.983 265 K HN 0.638 nan 8.250 nan 0.000 0.475 266 A N 1.837 124.604 122.820 -0.089 0.000 1.975 266 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 266 A C 1.066 178.617 177.584 -0.054 0.000 1.170 266 A CA 1.305 53.296 52.037 -0.077 0.000 0.656 266 A CB -0.078 18.875 19.000 -0.078 0.000 0.821 266 A HN 0.819 nan 8.150 nan 0.000 0.449 267 D N 0.130 120.503 120.400 -0.045 0.000 2.358 267 D HA 0.381 5.021 4.640 -0.000 0.000 0.224 267 D C 0.546 176.833 176.300 -0.021 0.000 1.123 267 D CA 0.466 54.449 54.000 -0.027 0.000 0.833 267 D CB -0.372 40.416 40.800 -0.020 0.000 0.946 267 D HN 0.310 nan 8.370 nan 0.000 0.505 268 A N 1.698 124.500 122.820 -0.031 0.000 2.332 268 A HA 0.395 4.715 4.320 -0.000 0.000 0.258 268 A C -1.311 176.266 177.584 -0.013 0.000 1.087 268 A CA -0.949 51.072 52.037 -0.025 0.000 0.802 268 A CB 0.565 19.537 19.000 -0.047 0.000 1.042 268 A HN -0.059 nan 8.150 nan 0.000 0.489 269 P HA 0.073 nan 4.420 nan 0.000 0.222 269 P C -0.214 177.093 177.300 0.011 0.000 1.153 269 P CA 0.990 64.097 63.100 0.012 0.000 0.798 269 P CB 0.075 31.791 31.700 0.026 0.000 0.796 270 L N -0.246 120.974 121.223 -0.006 0.000 2.346 270 L HA 0.443 4.783 4.340 -0.000 0.000 0.274 270 L C -0.329 176.514 176.870 -0.046 0.000 1.007 270 L CA -0.896 53.935 54.840 -0.014 0.000 0.818 270 L CB 2.065 44.117 42.059 -0.012 0.000 1.284 270 L HN -0.252 nan 8.230 nan 0.000 0.424 271 I N 2.597 123.151 120.570 -0.027 0.000 2.478 271 I HA 0.181 4.351 4.170 -0.000 0.000 0.287 271 I C 0.262 176.374 176.117 -0.009 0.000 1.042 271 I CA -0.396 60.896 61.300 -0.013 0.000 1.067 271 I CB 1.978 40.000 38.000 0.036 0.000 1.233 271 I HN 0.677 nan 8.210 nan 0.000 0.431 272 Q N 4.585 124.364 119.800 -0.035 0.000 2.331 272 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 272 Q C 1.736 177.738 176.000 0.003 0.000 0.944 272 Q CA 0.809 56.586 55.803 -0.043 0.000 0.892 272 Q CB 0.163 28.839 28.738 -0.104 0.000 0.983 272 Q HN 0.814 nan 8.270 nan 0.000 0.482 273 W N 2.737 123.993 121.300 -0.073 0.000 2.283 273 W HA -0.362 4.298 4.660 -0.000 0.000 0.335 273 W C 0.468 176.960 176.519 -0.045 0.000 1.313 273 W CA 2.528 59.839 57.345 -0.056 0.000 1.263 273 W CB -0.225 29.205 29.460 -0.050 0.000 1.141 273 W HN 0.236 nan 8.180 nan 0.000 0.468 274 D N 0.297 120.502 120.400 -0.326 0.000 2.097 274 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 274 D C 2.431 178.517 176.300 -0.356 0.000 0.989 274 D CA 2.186 55.942 54.000 -0.406 0.000 0.827 274 D CB -0.802 39.933 40.800 -0.109 0.000 0.966 274 D HN 0.166 nan 8.370 nan 0.000 0.456 275 A N 0.333 123.020 122.820 -0.222 0.000 1.930 275 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 275 A C 2.237 179.676 177.584 -0.242 0.000 1.175 275 A CA 1.756 53.686 52.037 -0.179 0.000 0.627 275 A CB -0.944 18.001 19.000 -0.093 0.000 0.815 275 A HN 0.195 nan 8.150 nan 0.000 0.443 276 T N 0.805 115.187 114.554 -0.287 0.000 2.643 276 T HA -0.153 4.197 4.350 -0.000 0.000 0.264 276 T C 2.297 176.749 174.700 -0.412 0.000 1.045 276 T CA 1.936 63.853 62.100 -0.305 0.000 1.155 276 T CB -0.578 68.148 68.868 -0.236 0.000 0.863 276 T HN 0.621 nan 8.240 nan 0.000 0.420 277 S N 2.509 117.804 115.700 -0.674 0.000 2.353 277 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 277 S C 2.590 176.968 174.600 -0.371 0.000 1.035 277 S CA 1.055 58.893 58.200 -0.603 0.000 1.025 277 S CB -1.006 61.719 63.200 -0.792 0.000 0.902 277 S HN 0.594 nan 8.310 nan 0.000 0.440 278 A N 2.043 124.658 122.820 -0.341 0.000 1.884 278 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 278 A C 2.431 179.890 177.584 -0.209 0.000 1.197 278 A CA 2.435 54.339 52.037 -0.223 0.000 0.637 278 A CB -1.706 17.186 19.000 -0.180 0.000 0.827 278 A HN 0.540 nan 8.150 nan 0.000 0.450 279 T N 0.130 114.536 114.554 -0.245 0.000 2.821 279 T HA -0.029 4.321 4.350 -0.000 0.000 0.267 279 T C 1.831 176.336 174.700 -0.325 0.000 1.046 279 T CA 1.216 63.145 62.100 -0.284 0.000 1.139 279 T CB -0.331 68.334 68.868 -0.338 0.000 0.871 279 T HN 0.329 nan 8.240 nan 0.000 0.454 280 L N 0.492 121.531 121.223 -0.308 0.000 2.046 280 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 280 L C 2.615 179.308 176.870 -0.295 0.000 1.077 280 L CA 1.490 56.154 54.840 -0.293 0.000 0.747 280 L CB -0.338 41.573 42.059 -0.247 0.000 0.896 280 L HN 0.275 nan 8.230 nan 0.000 0.432 281 K N -0.437 119.807 120.400 -0.260 0.000 2.148 281 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 281 K C 2.124 178.605 176.600 -0.198 0.000 1.050 281 K CA 1.095 57.230 56.287 -0.253 0.000 0.942 281 K CB -0.174 32.281 32.500 -0.077 0.000 0.724 281 K HN 0.268 nan 8.250 nan 0.000 0.446 282 A N 1.394 124.108 122.820 -0.177 0.000 1.972 282 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 282 A C 1.956 179.449 177.584 -0.152 0.000 1.169 282 A CA 1.196 53.154 52.037 -0.132 0.000 0.635 282 A CB -0.475 18.445 19.000 -0.133 0.000 0.810 282 A HN 0.178 nan 8.150 nan 0.000 0.446 283 L N -1.666 119.412 121.223 -0.241 0.000 2.554 283 L HA 0.176 4.516 4.340 -0.000 0.000 0.226 283 L C 1.599 178.368 176.870 -0.169 0.000 1.137 283 L CA 0.591 55.270 54.840 -0.268 0.000 0.863 283 L CB -0.137 41.661 42.059 -0.435 0.000 0.985 283 L HN 0.600 nan 8.230 nan 0.000 0.451 284 G N -0.419 108.247 108.800 -0.224 0.000 2.134 284 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.209 284 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.209 284 G C -0.057 174.568 174.900 -0.458 0.000 0.993 284 G CA -0.110 44.838 45.100 -0.252 0.000 0.669 284 G HN 0.308 nan 8.290 nan 0.000 0.519 285 C N 1.694 120.689 119.300 -0.508 0.000 2.281 285 C HA 0.750 5.210 4.460 -0.000 0.000 0.323 285 C C 1.309 176.000 174.990 -0.498 0.000 1.270 285 C CA -0.610 58.176 59.018 -0.387 0.000 1.559 285 C CB -0.263 27.375 27.740 -0.170 0.000 2.239 285 C HN 0.446 nan 8.230 nan 0.000 0.488 286 H N 2.376 121.440 119.070 -0.009 0.000 2.652 286 H HA 0.112 4.668 4.556 -0.000 0.000 0.274 286 H C 1.003 176.344 175.328 0.022 0.000 1.021 286 H CA 0.125 56.172 56.048 -0.003 0.000 1.187 286 H CB 0.100 29.865 29.762 0.004 0.000 1.505 286 H HN 0.689 nan 8.280 nan 0.000 0.530 287 S N 1.813 117.567 115.700 0.090 0.000 3.697 287 S HA 0.255 4.725 4.470 -0.000 0.000 0.207 287 S C 0.362 175.007 174.600 0.076 0.000 1.459 287 S CA -0.322 57.928 58.200 0.084 0.000 1.122 287 S CB -1.006 62.234 63.200 0.066 0.000 1.311 287 S HN 0.123 nan 8.310 nan 0.000 0.487 288 I N 2.072 122.710 120.570 0.112 0.000 2.359 288 I HA 0.417 4.587 4.170 -0.000 0.000 0.294 288 I C -0.063 176.197 176.117 0.238 0.000 0.987 288 I CA -0.323 61.072 61.300 0.159 0.000 1.225 288 I CB 1.008 39.089 38.000 0.134 0.000 1.366 288 I HN 0.227 nan 8.210 nan 0.000 0.466 289 D N 5.342 125.856 120.400 0.189 0.000 2.490 289 D HA 0.491 5.131 4.640 -0.000 0.000 0.232 289 D C -0.757 175.618 176.300 0.125 0.000 1.053 289 D CA -0.769 53.303 54.000 0.121 0.000 0.914 289 D CB 2.635 43.463 40.800 0.047 0.000 1.431 289 D HN 0.414 nan 8.370 nan 0.000 0.483 290 R N 0.349 120.843 120.500 -0.010 0.000 2.750 290 R HA 0.645 4.985 4.340 -0.000 0.000 0.281 290 R C -1.892 174.363 176.300 -0.076 0.000 0.972 290 R CA -0.686 55.392 56.100 -0.038 0.000 0.912 290 R CB 1.785 31.949 30.300 -0.226 0.000 1.187 290 R HN 0.234 nan 8.270 nan 0.000 0.464 291 V N 4.735 124.616 119.914 -0.056 0.000 2.588 291 V HA 0.381 4.501 4.120 -0.000 0.000 0.304 291 V C -0.895 175.147 176.094 -0.086 0.000 1.042 291 V CA -1.014 61.247 62.300 -0.064 0.000 0.877 291 V CB 1.856 33.657 31.823 -0.037 0.000 0.996 291 V HN 0.591 nan 8.190 nan 0.000 0.425 292 L N 5.270 126.434 121.223 -0.098 0.000 2.281 292 L HA 0.419 4.759 4.340 -0.000 0.000 0.285 292 L C 0.154 176.939 176.870 -0.141 0.000 1.074 292 L CA -0.022 54.748 54.840 -0.117 0.000 0.817 292 L CB 0.689 42.682 42.059 -0.110 0.000 1.168 292 L HN 0.441 nan 8.230 nan 0.000 0.434 293 L N 3.610 124.706 121.223 -0.212 0.000 2.456 293 L HA 0.526 4.866 4.340 -0.000 0.000 0.272 293 L C 0.489 177.179 176.870 -0.300 0.000 1.189 293 L CA 0.138 54.758 54.840 -0.366 0.000 0.846 293 L CB 0.838 42.511 42.059 -0.643 0.000 1.111 293 L HN 0.923 nan 8.230 nan 0.000 0.475 294 A N 0.000 122.671 122.820 -0.248 0.000 2.254 294 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 294 A CA 0.000 52.044 52.037 0.011 0.000 0.836 294 A CB 0.000 19.006 19.000 0.009 0.000 0.831 294 A HN 0.000 nan 8.150 nan 0.000 0.486