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 1tcb_1_B DATA FIRST_RESID 1 DATA SEQUENCE LPSGSDPAFS QPKSVLDAGL TcQGASPSSV SKPILLVPGT GTTGPQSFDS DATA SEQUENCE NWIPLSTQLG YTPcWISPPP FMLNDTQVNT EYMVNAITAL YAGSGNNKLP DATA SEQUENCE VLTWSQGGLV AQWGLTFFPS IRSKVDRLMA FAPDYKGTVL AGPLDALAVS DATA SEQUENCE APSVWQQTTG SALTTALRNA GGLTQIVPTT NLYSATDEIV QPQVSNSPLD DATA SEQUENCE SSYLFNGKNV QAQAVcGPLF VIDHAGSLTS QFSYVVGRSA LRSTTGQARS DATA SEQUENCE ADYGITDcNP LPANDLTPEQ KVAAAALLAP AAAAIVAGPK QNcEPDLMPY DATA SEQUENCE ARPFAVGKRT cSGIVTP 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.776 176.870 -0.157 0.000 1.165 1 L CA 0.000 54.736 54.840 -0.173 0.000 0.813 1 L CB 0.000 41.964 42.059 -0.159 0.000 0.961 2 P HA 0.459 nan 4.420 nan 0.000 0.266 2 P C -1.133 176.090 177.300 -0.129 0.000 1.193 2 P CA -0.017 62.988 63.100 -0.158 0.000 0.770 2 P CB 0.649 32.175 31.700 -0.291 0.000 0.836 3 S N -0.076 115.580 115.700 -0.072 0.000 2.651 3 S HA 0.861 5.280 4.470 -0.085 0.000 0.279 3 S C 0.088 174.651 174.600 -0.061 0.000 1.148 3 S CA -0.101 58.057 58.200 -0.070 0.000 0.837 3 S CB 1.792 64.960 63.200 -0.052 0.000 1.138 3 S HN 0.948 nan 8.310 nan 0.000 0.478 4 G N 0.949 109.711 108.800 -0.063 0.000 2.466 4 G HA2 -0.010 3.899 3.960 -0.085 0.000 0.218 4 G HA3 -0.010 3.899 3.960 -0.085 0.000 0.218 4 G C -0.189 174.663 174.900 -0.080 0.000 1.237 4 G CA -0.284 44.779 45.100 -0.061 0.000 0.954 4 G HN 1.399 nan 8.290 nan 0.000 0.580 5 S N 0.807 116.455 115.700 -0.087 0.000 2.614 5 S HA 0.529 4.948 4.470 -0.085 0.000 0.265 5 S C -0.225 174.272 174.600 -0.173 0.000 1.303 5 S CA -0.133 58.002 58.200 -0.110 0.000 1.000 5 S CB 1.013 64.153 63.200 -0.098 0.000 0.935 5 S HN 0.617 nan 8.310 nan 0.000 0.551 6 D N 1.908 122.190 120.400 -0.197 0.000 2.255 6 D HA 0.435 5.024 4.640 -0.085 0.000 0.249 6 D C -2.198 173.851 176.300 -0.419 0.000 1.078 6 D CA -1.123 52.679 54.000 -0.330 0.000 0.896 6 D CB 0.265 40.969 40.800 -0.159 0.000 1.194 6 D HN 0.165 nan 8.370 nan 0.000 0.429 7 P HA 0.249 nan 4.420 nan 0.000 0.269 7 P C -1.000 176.113 177.300 -0.311 0.000 1.215 7 P CA -0.443 62.357 63.100 -0.500 0.000 0.780 7 P CB 0.557 31.752 31.700 -0.841 0.000 0.898 8 A N 2.327 125.061 122.820 -0.143 0.000 2.425 8 A HA 0.357 4.626 4.320 -0.085 0.000 0.249 8 A C -0.239 177.388 177.584 0.071 0.000 1.084 8 A CA -0.225 51.746 52.037 -0.110 0.000 0.781 8 A CB -0.538 18.443 19.000 -0.033 0.000 1.019 8 A HN 0.333 nan 8.150 nan 0.000 0.490 9 F N 1.409 121.428 119.950 0.115 0.000 2.471 9 F HA 0.194 4.670 4.527 -0.086 0.000 0.353 9 F C 1.885 177.733 175.800 0.081 0.000 1.113 9 F CA 0.145 58.213 58.000 0.115 0.000 1.262 9 F CB 0.860 39.891 39.000 0.052 0.000 1.146 9 F HN 0.655 nan 8.300 nan 0.000 0.578 10 S N 0.112 115.989 115.700 0.295 0.000 2.501 10 S HA 0.097 4.516 4.470 -0.085 0.000 0.220 10 S C 0.382 175.046 174.600 0.107 0.000 0.997 10 S CA -0.124 58.177 58.200 0.169 0.000 0.919 10 S CB -0.041 63.249 63.200 0.150 0.000 0.778 10 S HN 0.575 nan 8.310 nan 0.000 0.523 11 Q N 1.890 121.734 119.800 0.073 0.000 2.266 11 Q HA 0.552 4.841 4.340 -0.085 0.000 0.261 11 Q C -2.959 173.037 176.000 -0.005 0.000 0.985 11 Q CA -2.565 53.231 55.803 -0.012 0.000 0.873 11 Q CB 0.668 29.324 28.738 -0.136 0.000 1.306 11 Q HN 0.140 nan 8.270 nan 0.000 0.447 12 P HA 0.041 nan 4.420 nan 0.000 0.268 12 P C 0.549 177.831 177.300 -0.030 0.000 1.205 12 P CA -0.009 63.095 63.100 0.007 0.000 0.771 12 P CB 0.792 32.495 31.700 0.005 0.000 0.858 13 K N 1.991 122.400 120.400 0.015 0.000 2.211 13 K HA -0.158 4.111 4.320 -0.085 0.000 0.204 13 K C 1.739 178.315 176.600 -0.040 0.000 1.047 13 K CA 1.892 58.176 56.287 -0.005 0.000 0.935 13 K CB -0.175 32.362 32.500 0.062 0.000 0.728 13 K HN 0.566 nan 8.250 nan 0.000 0.452 14 S N -0.302 115.386 115.700 -0.020 0.000 2.383 14 S HA -0.097 4.322 4.470 -0.085 0.000 0.227 14 S C 1.992 176.577 174.600 -0.025 0.000 1.026 14 S CA 1.204 59.395 58.200 -0.015 0.000 0.981 14 S CB -0.449 62.751 63.200 -0.000 0.000 0.818 14 S HN 0.093 nan 8.310 nan 0.000 0.472 15 V N 2.280 122.170 119.914 -0.040 0.000 2.358 15 V HA -0.064 4.005 4.120 -0.085 0.000 0.246 15 V C 2.553 178.603 176.094 -0.074 0.000 1.047 15 V CA 1.578 63.860 62.300 -0.029 0.000 1.035 15 V CB -0.873 30.932 31.823 -0.030 0.000 0.658 15 V HN 0.463 nan 8.190 nan 0.000 0.452 16 L N -0.313 120.755 121.223 -0.259 0.000 2.083 16 L HA -0.168 4.122 4.340 -0.085 0.000 0.209 16 L C 2.353 179.148 176.870 -0.126 0.000 1.083 16 L CA 1.478 56.035 54.840 -0.471 0.000 0.752 16 L CB -0.751 40.951 42.059 -0.594 0.000 0.899 16 L HN 0.338 nan 8.230 nan 0.000 0.433 17 D N 0.421 120.777 120.400 -0.074 0.000 2.144 17 D HA -0.128 4.461 4.640 -0.085 0.000 0.200 17 D C 2.195 178.503 176.300 0.014 0.000 0.978 17 D CA 1.416 55.403 54.000 -0.022 0.000 0.833 17 D CB 0.078 40.866 40.800 -0.020 0.000 0.961 17 D HN 0.298 nan 8.370 nan 0.000 0.470 18 A N 0.591 123.432 122.820 0.034 0.000 2.125 18 A HA 0.020 4.289 4.320 -0.085 0.000 0.219 18 A C 2.192 179.823 177.584 0.079 0.000 1.156 18 A CA 1.598 53.664 52.037 0.048 0.000 0.671 18 A CB -0.548 18.483 19.000 0.051 0.000 0.794 18 A HN 0.284 nan 8.150 nan 0.000 0.459 19 G N -1.448 107.451 108.800 0.165 0.000 2.880 19 G HA2 0.358 4.267 3.960 -0.085 0.000 0.209 19 G HA3 0.358 4.267 3.960 -0.085 0.000 0.209 19 G C 0.312 175.261 174.900 0.082 0.000 1.157 19 G CA 0.176 45.375 45.100 0.166 0.000 0.779 19 G HN 0.415 nan 8.290 nan 0.000 0.539 20 L N 1.116 122.357 121.223 0.030 0.000 2.322 20 L HA 0.778 5.067 4.340 -0.085 0.000 0.279 20 L C -0.785 175.967 176.870 -0.196 0.000 1.036 20 L CA -0.139 54.658 54.840 -0.072 0.000 0.807 20 L CB 2.265 44.294 42.059 -0.050 0.000 1.226 20 L HN -0.121 nan 8.230 nan 0.000 0.433 21 T N 3.240 117.526 114.554 -0.447 0.000 2.993 21 T HA 0.473 4.772 4.350 -0.085 0.000 0.312 21 T C -1.263 172.881 174.700 -0.926 0.000 1.115 21 T CA -0.399 61.319 62.100 -0.637 0.000 1.027 21 T CB 1.036 69.480 68.868 -0.708 0.000 1.116 21 T HN 0.668 nan 8.240 nan 0.000 0.464 22 c N 1.946 120.194 118.600 -0.587 0.000 2.493 22 c HA 0.541 5.060 4.570 -0.085 0.000 0.326 22 c C 0.422 174.314 174.090 -0.330 0.000 1.200 22 c CA -0.865 55.181 56.329 -0.472 0.000 1.739 22 c CB 1.423 43.806 42.510 -0.212 0.000 2.300 22 c HN 0.940 nan 8.230 nan 0.000 0.500 23 Q N 1.037 120.751 119.800 -0.144 0.000 2.300 23 Q HA 0.375 4.664 4.340 -0.085 0.000 0.262 23 Q C 1.070 177.099 176.000 0.048 0.000 1.109 23 Q CA 1.050 56.901 55.803 0.081 0.000 0.905 23 Q CB 0.050 28.944 28.738 0.259 0.000 1.280 23 Q HN 1.172 nan 8.270 nan 0.000 0.426 24 G N 2.766 111.589 108.800 0.037 0.000 2.305 24 G HA2 -0.164 3.745 3.960 -0.085 0.000 0.287 24 G HA3 -0.164 3.745 3.960 -0.085 0.000 0.287 24 G C -0.193 174.711 174.900 0.006 0.000 1.036 24 G CA 0.330 45.447 45.100 0.028 0.000 0.887 24 G HN 0.979 nan 8.290 nan 0.000 0.505 25 A N -1.612 121.195 122.820 -0.020 0.000 2.608 25 A HA 0.878 5.147 4.320 -0.085 0.000 0.292 25 A C -0.161 177.394 177.584 -0.048 0.000 1.066 25 A CA 0.557 52.578 52.037 -0.026 0.000 0.676 25 A CB 1.075 20.064 19.000 -0.018 0.000 1.277 25 A HN 1.640 nan 8.150 nan 0.000 0.413 26 S N 0.648 116.326 115.700 -0.037 0.000 2.508 26 S HA 0.572 4.991 4.470 -0.085 0.000 0.284 26 S C -1.767 172.808 174.600 -0.043 0.000 1.192 26 S CA -1.564 56.611 58.200 -0.042 0.000 1.070 26 S CB 0.874 64.058 63.200 -0.026 0.000 1.004 26 S HN 0.375 nan 8.310 nan 0.000 0.493 27 P HA -0.097 nan 4.420 nan 0.000 0.219 27 P C 1.295 178.583 177.300 -0.020 0.000 1.146 27 P CA 1.041 64.116 63.100 -0.042 0.000 0.808 27 P CB -0.015 31.657 31.700 -0.047 0.000 0.779 28 S N -2.824 112.865 115.700 -0.017 0.000 2.515 28 S HA 0.042 4.461 4.470 -0.085 0.000 0.231 28 S C 1.093 175.686 174.600 -0.012 0.000 0.987 28 S CA 0.450 58.645 58.200 -0.009 0.000 0.936 28 S CB -0.483 62.713 63.200 -0.007 0.000 0.766 28 S HN 0.051 nan 8.310 nan 0.000 0.528 29 S N 0.245 115.935 115.700 -0.016 0.000 2.488 29 S HA 0.506 4.925 4.470 -0.085 0.000 0.151 29 S C -1.105 173.486 174.600 -0.015 0.000 1.401 29 S CA -0.544 57.646 58.200 -0.016 0.000 1.221 29 S CB 0.775 63.967 63.200 -0.013 0.000 1.407 29 S HN 0.366 nan 8.310 nan 0.000 0.406 30 V N 3.087 122.992 119.914 -0.015 0.000 2.735 30 V HA 0.816 4.885 4.120 -0.085 0.000 0.310 30 V C -0.314 175.778 176.094 -0.002 0.000 1.061 30 V CA -0.384 61.911 62.300 -0.008 0.000 0.913 30 V CB 2.178 33.995 31.823 -0.010 0.000 1.005 30 V HN 0.656 nan 8.190 nan 0.000 0.428 31 S N 4.771 120.474 115.700 0.006 0.000 2.429 31 S HA 0.495 4.914 4.470 -0.085 0.000 0.302 31 S C -0.019 174.595 174.600 0.024 0.000 1.115 31 S CA -0.344 57.859 58.200 0.005 0.000 1.095 31 S CB 0.347 63.546 63.200 -0.002 0.000 0.987 31 S HN 0.986 nan 8.310 nan 0.000 0.474 32 K N 3.024 123.438 120.400 0.023 0.000 3.451 32 K HA -0.098 4.171 4.320 -0.085 0.000 0.273 32 K C -2.552 174.149 176.600 0.167 0.000 0.944 32 K CA 0.582 56.904 56.287 0.058 0.000 0.734 32 K CB -0.900 31.578 32.500 -0.036 0.000 1.437 32 K HN 0.470 nan 8.250 nan 0.000 0.454 33 P HA 0.249 nan 4.420 nan 0.000 0.274 33 P C -0.420 176.974 177.300 0.156 0.000 1.246 33 P CA -0.353 62.828 63.100 0.135 0.000 0.795 33 P CB 0.941 32.679 31.700 0.064 0.000 1.006 34 I N 0.934 121.551 120.570 0.078 0.000 2.571 34 I HA 0.263 4.382 4.170 -0.085 0.000 0.289 34 I C -1.416 174.685 176.117 -0.027 0.000 1.115 34 I CA -1.362 59.915 61.300 -0.038 0.000 1.045 34 I CB 1.794 39.650 38.000 -0.240 0.000 1.238 34 I HN 0.088 nan 8.210 nan 0.000 0.424 35 L N 8.340 129.541 121.223 -0.037 0.000 2.290 35 L HA 0.515 4.804 4.340 -0.085 0.000 0.284 35 L C -1.293 175.545 176.870 -0.054 0.000 1.078 35 L CA 0.046 54.879 54.840 -0.011 0.000 0.815 35 L CB 1.016 43.079 42.059 0.007 0.000 1.162 35 L HN 0.484 nan 8.230 nan 0.000 0.435 36 L N 6.329 127.539 121.223 -0.022 0.000 2.298 36 L HA 0.518 4.807 4.340 -0.085 0.000 0.284 36 L C -0.780 176.139 176.870 0.083 0.000 1.013 36 L CA -0.855 53.865 54.840 -0.199 0.000 0.824 36 L CB 1.626 43.379 42.059 -0.510 0.000 1.221 36 L HN 0.277 nan 8.230 nan 0.000 0.418 37 V N 4.831 124.839 119.914 0.156 0.000 2.347 37 V HA 0.359 4.428 4.120 -0.085 0.000 0.280 37 V C -1.806 174.602 176.094 0.524 0.000 1.021 37 V CA -1.608 60.868 62.300 0.293 0.000 0.847 37 V CB 1.210 33.141 31.823 0.179 0.000 0.990 37 V HN 0.582 nan 8.190 nan 0.000 0.444 38 P HA 0.237 nan 4.420 nan 0.000 0.274 38 P C 0.177 177.574 177.300 0.160 0.000 1.260 38 P CA 0.110 63.410 63.100 0.334 0.000 0.793 38 P CB 1.062 32.888 31.700 0.211 0.000 1.048 39 G N -0.654 108.182 108.800 0.060 0.000 2.531 39 G HA2 0.389 4.298 3.960 -0.085 0.000 0.313 39 G HA3 0.389 4.298 3.960 -0.085 0.000 0.313 39 G C -0.605 174.205 174.900 -0.150 0.000 1.238 39 G CA -0.435 44.516 45.100 -0.248 0.000 0.994 39 G HN 0.410 nan 8.290 nan 0.000 0.493 40 T N -0.072 114.357 114.554 -0.208 0.000 2.928 40 T HA 0.384 4.683 4.350 -0.085 0.000 0.305 40 T C 1.454 176.124 174.700 -0.050 0.000 1.035 40 T CA 1.465 63.503 62.100 -0.104 0.000 1.145 40 T CB 0.764 69.557 68.868 -0.124 0.000 0.963 40 T HN 1.847 nan 8.240 nan 0.000 0.545 41 G N 2.340 111.154 108.800 0.024 0.000 2.143 41 G HA2 -0.213 3.696 3.960 -0.085 0.000 0.249 41 G HA3 -0.213 3.696 3.960 -0.085 0.000 0.249 41 G C 0.274 175.227 174.900 0.089 0.000 0.981 41 G CA 0.334 45.458 45.100 0.039 0.000 0.665 41 G HN 1.292 nan 8.290 nan 0.000 0.528 42 T N -2.718 111.942 114.554 0.177 0.000 2.841 42 T HA 0.817 5.116 4.350 -0.085 0.000 0.296 42 T C 0.046 174.896 174.700 0.251 0.000 1.166 42 T CA 0.511 62.749 62.100 0.232 0.000 1.007 42 T CB 2.195 71.145 68.868 0.137 0.000 1.253 42 T HN 1.283 nan 8.240 nan 0.000 0.511 43 T N -1.944 112.744 114.554 0.223 0.000 2.910 43 T HA 0.630 4.929 4.350 -0.085 0.000 0.279 43 T C 1.738 176.482 174.700 0.073 0.000 0.989 43 T CA -0.174 61.993 62.100 0.111 0.000 0.968 43 T CB 0.782 69.699 68.868 0.080 0.000 1.135 43 T HN 0.968 nan 8.240 nan 0.000 0.562 44 G N 0.903 109.768 108.800 0.109 0.000 2.491 44 G HA2 -0.099 3.810 3.960 -0.085 0.000 0.218 44 G HA3 -0.099 3.810 3.960 -0.085 0.000 0.218 44 G C -0.945 173.794 174.900 -0.268 0.000 1.180 44 G CA 0.909 46.042 45.100 0.055 0.000 0.774 44 G HN 0.639 nan 8.290 nan 0.000 0.562 45 P HA -0.058 nan 4.420 nan 0.000 0.216 45 P C 1.926 179.105 177.300 -0.203 0.000 1.153 45 P CA 1.266 64.125 63.100 -0.402 0.000 0.848 45 P CB -0.071 31.488 31.700 -0.236 0.000 0.787 46 Q N -0.914 118.823 119.800 -0.105 0.000 2.170 46 Q HA -0.098 4.191 4.340 -0.085 0.000 0.203 46 Q C 2.151 178.055 176.000 -0.159 0.000 0.976 46 Q CA 1.416 57.171 55.803 -0.079 0.000 0.858 46 Q CB -0.480 28.265 28.738 0.012 0.000 0.907 46 Q HN 0.230 nan 8.270 nan 0.000 0.433 47 S N -0.560 114.991 115.700 -0.248 0.000 2.406 47 S HA 0.022 4.441 4.470 -0.085 0.000 0.224 47 S C 0.922 175.064 174.600 -0.764 0.000 1.030 47 S CA 0.789 58.653 58.200 -0.560 0.000 0.958 47 S CB 0.160 62.863 63.200 -0.829 0.000 0.811 47 S HN 0.299 nan 8.310 nan 0.000 0.489 48 F N 0.901 120.770 119.950 -0.135 0.000 2.746 48 F HA 0.232 4.707 4.527 -0.087 0.000 0.320 48 F C 1.279 176.972 175.800 -0.178 0.000 1.097 48 F CA -0.514 57.412 58.000 -0.123 0.000 1.195 48 F CB 0.040 39.011 39.000 -0.048 0.000 1.056 48 F HN 0.088 nan 8.300 nan 0.000 0.562 49 D N -0.284 120.056 120.400 -0.099 0.000 2.348 49 D HA -0.109 4.480 4.640 -0.085 0.000 0.216 49 D C 1.583 177.824 176.300 -0.099 0.000 0.970 49 D CA 1.223 55.150 54.000 -0.122 0.000 0.889 49 D CB -0.605 40.099 40.800 -0.160 0.000 0.912 49 D HN 0.235 nan 8.370 nan 0.000 0.524 50 S N -1.488 114.143 115.700 -0.116 0.000 2.540 50 S HA 0.149 4.568 4.470 -0.085 0.000 0.218 50 S C 0.709 175.209 174.600 -0.167 0.000 0.977 50 S CA 0.083 58.202 58.200 -0.135 0.000 0.918 50 S CB -0.482 62.628 63.200 -0.150 0.000 0.806 50 S HN 0.505 nan 8.310 nan 0.000 0.496 51 N N -0.712 117.901 118.700 -0.146 0.000 3.234 51 N HA 0.246 4.935 4.740 -0.085 0.000 0.237 51 N C 0.672 176.028 175.510 -0.257 0.000 1.372 51 N CA -0.513 52.384 53.050 -0.254 0.000 1.273 51 N CB -0.636 37.687 38.487 -0.274 0.000 0.973 51 N HN 0.202 nan 8.380 nan 0.000 0.898 52 W N 0.973 122.305 121.300 0.054 0.000 2.595 52 W HA 0.415 5.025 4.660 -0.084 0.000 0.257 52 W C 1.556 178.082 176.519 0.012 0.000 1.267 52 W CA 0.019 57.386 57.345 0.037 0.000 1.300 52 W CB -0.087 29.377 29.460 0.006 0.000 1.120 52 W HN 0.177 nan 8.180 nan 0.000 0.618 53 I N 1.698 122.371 120.570 0.172 0.000 2.133 53 I HA -0.235 3.884 4.170 -0.085 0.000 0.238 53 I C -0.130 176.046 176.117 0.098 0.000 1.074 53 I CA 1.212 62.583 61.300 0.118 0.000 1.342 53 I CB -1.809 36.199 38.000 0.012 0.000 1.053 53 I HN -0.196 nan 8.210 nan 0.000 0.404 54 P HA -0.138 nan 4.420 nan 0.000 0.218 54 P C 1.962 179.262 177.300 -0.000 0.000 1.149 54 P CA 1.568 64.670 63.100 0.003 0.000 0.817 54 P CB -0.013 31.656 31.700 -0.052 0.000 0.785 55 L N 0.341 121.533 121.223 -0.052 0.000 2.056 55 L HA -0.117 4.172 4.340 -0.085 0.000 0.207 55 L C 2.868 179.838 176.870 0.166 0.000 1.078 55 L CA 2.041 56.846 54.840 -0.059 0.000 0.749 55 L CB -1.111 40.711 42.059 -0.395 0.000 0.901 55 L HN 0.100 nan 8.230 nan 0.000 0.433 56 S N -1.750 114.109 115.700 0.265 0.000 2.406 56 S HA -0.142 4.277 4.470 -0.085 0.000 0.228 56 S C 1.905 176.707 174.600 0.337 0.000 1.020 56 S CA 1.367 59.779 58.200 0.354 0.000 0.965 56 S CB -0.678 62.680 63.200 0.264 0.000 0.798 56 S HN 0.326 nan 8.310 nan 0.000 0.488 57 T N 2.713 117.400 114.554 0.223 0.000 2.746 57 T HA -0.117 4.182 4.350 -0.085 0.000 0.267 57 T C 1.917 176.702 174.700 0.141 0.000 1.039 57 T CA 1.711 63.914 62.100 0.173 0.000 1.142 57 T CB -0.429 68.513 68.868 0.122 0.000 0.866 57 T HN 0.567 nan 8.240 nan 0.000 0.444 58 Q N 0.266 120.142 119.800 0.126 0.000 2.291 58 Q HA 0.118 4.407 4.340 -0.085 0.000 0.205 58 Q C 1.975 178.055 176.000 0.134 0.000 0.970 58 Q CA 0.762 56.625 55.803 0.099 0.000 0.876 58 Q CB -0.241 28.537 28.738 0.066 0.000 0.935 58 Q HN 0.470 nan 8.270 nan 0.000 0.455 59 L N -0.909 120.445 121.223 0.218 0.000 2.591 59 L HA 0.147 4.436 4.340 -0.085 0.000 0.228 59 L C 0.821 177.743 176.870 0.087 0.000 1.133 59 L CA 0.343 55.327 54.840 0.241 0.000 0.880 59 L CB 0.164 42.483 42.059 0.434 0.000 1.033 59 L HN 0.369 nan 8.230 nan 0.000 0.450 60 G N -0.838 107.993 108.800 0.052 0.000 2.215 60 G HA2 -0.256 3.653 3.960 -0.085 0.000 0.198 60 G HA3 -0.256 3.653 3.960 -0.085 0.000 0.198 60 G C -0.444 174.293 174.900 -0.271 0.000 1.047 60 G CA -0.576 44.452 45.100 -0.119 0.000 0.747 60 G HN 0.216 nan 8.290 nan 0.000 0.495 61 Y N -0.770 119.573 120.300 0.071 0.000 2.633 61 Y HA 0.711 5.210 4.550 -0.084 0.000 0.339 61 Y C 0.737 176.680 175.900 0.070 0.000 1.045 61 Y CA -0.764 57.377 58.100 0.068 0.000 1.098 61 Y CB 1.877 40.387 38.460 0.083 0.000 1.296 61 Y HN 0.056 nan 8.280 nan 0.000 0.494 62 T N 4.906 119.607 114.554 0.245 0.000 2.781 62 T HA 0.261 4.560 4.350 -0.085 0.000 0.305 62 T C -2.802 172.000 174.700 0.169 0.000 1.001 62 T CA -1.608 60.589 62.100 0.162 0.000 0.950 62 T CB 0.434 69.358 68.868 0.093 0.000 0.955 62 T HN 0.189 nan 8.240 nan 0.000 0.471 63 P HA 0.230 nan 4.420 nan 0.000 0.265 63 P C -0.650 176.789 177.300 0.231 0.000 1.222 63 P CA -0.232 63.027 63.100 0.265 0.000 0.767 63 P CB 0.077 31.995 31.700 0.363 0.000 0.801 64 c N 4.858 123.541 118.600 0.139 0.000 2.614 64 c HA 0.839 5.358 4.570 -0.085 0.000 0.320 64 c C -0.312 173.852 174.090 0.124 0.000 1.200 64 c CA -0.117 56.157 56.329 -0.092 0.000 1.700 64 c CB 0.884 43.328 42.510 -0.109 0.000 2.275 64 c HN 0.848 nan 8.230 nan 0.000 0.492 65 W N 1.282 122.599 121.300 0.029 0.000 3.074 65 W HA 0.799 5.408 4.660 -0.086 0.000 0.332 65 W C -1.403 175.149 176.519 0.055 0.000 1.253 65 W CA -1.260 56.112 57.345 0.044 0.000 1.180 65 W CB 0.018 29.536 29.460 0.096 0.000 1.445 65 W HN 0.763 nan 8.180 nan 0.000 0.573 66 I N -0.008 120.747 120.570 0.308 0.000 2.648 66 I HA 0.845 4.964 4.170 -0.085 0.000 0.304 66 I C -0.381 175.856 176.117 0.200 0.000 1.009 66 I CA -1.135 60.273 61.300 0.180 0.000 1.114 66 I CB 2.367 40.436 38.000 0.115 0.000 1.293 66 I HN 0.416 nan 8.210 nan 0.000 0.449 67 S N 3.876 119.600 115.700 0.039 0.000 2.204 67 S HA 0.387 4.806 4.470 -0.085 0.000 0.147 67 S C -2.520 171.889 174.600 -0.317 0.000 1.711 67 S CA -0.772 57.401 58.200 -0.046 0.000 1.274 67 S CB 0.333 63.560 63.200 0.044 0.000 1.257 67 S HN 0.535 nan 8.310 nan 0.000 0.404 68 P HA 0.173 nan 4.420 nan 0.000 0.262 68 P C -2.452 174.591 177.300 -0.428 0.000 1.199 68 P CA -0.836 61.778 63.100 -0.811 0.000 0.763 68 P CB -0.114 31.227 31.700 -0.599 0.000 0.790 69 P HA 0.248 nan 4.420 nan 0.000 0.278 69 P C -2.650 174.574 177.300 -0.125 0.000 1.238 69 P CA -2.021 60.927 63.100 -0.254 0.000 0.794 69 P CB 0.219 31.804 31.700 -0.192 0.000 0.955 70 P HA 0.330 nan 4.420 nan 0.000 0.294 70 P C -0.582 176.728 177.300 0.017 0.000 1.389 70 P CA -0.758 62.275 63.100 -0.112 0.000 0.875 70 P CB -0.037 31.692 31.700 0.049 0.000 1.018 71 F N 2.320 122.248 119.950 -0.036 0.000 3.074 71 F HA -0.242 4.234 4.527 -0.086 0.000 0.287 71 F C 1.156 176.932 175.800 -0.041 0.000 0.932 71 F CA 0.306 58.287 58.000 -0.032 0.000 0.995 71 F CB -1.938 37.050 39.000 -0.020 0.000 0.966 71 F HN 0.294 nan 8.300 nan 0.000 0.721 72 M N -2.201 117.414 119.600 0.025 0.000 2.818 72 M HA -0.294 4.135 4.480 -0.085 0.000 0.194 72 M C 0.953 177.264 176.300 0.019 0.000 0.586 72 M CA 0.895 56.196 55.300 0.002 0.000 0.664 72 M CB -2.038 30.567 32.600 0.008 0.000 2.418 72 M HN 0.548 nan 8.290 nan 0.000 0.517 73 L N -1.656 119.596 121.223 0.048 0.000 2.529 73 L HA 0.046 4.335 4.340 -0.085 0.000 0.223 73 L C 1.219 178.111 176.870 0.036 0.000 1.113 73 L CA 0.207 55.076 54.840 0.048 0.000 0.861 73 L CB -0.080 42.028 42.059 0.081 0.000 1.012 73 L HN 0.304 nan 8.230 nan 0.000 0.461 74 N N -0.058 118.656 118.700 0.023 0.000 2.413 74 N HA 0.016 4.705 4.740 -0.085 0.000 0.266 74 N C -0.337 175.178 175.510 0.009 0.000 1.238 74 N CA -0.421 52.642 53.050 0.022 0.000 0.972 74 N CB 0.409 38.910 38.487 0.024 0.000 1.210 74 N HN -0.107 nan 8.380 nan 0.000 0.547 75 D N -0.507 119.898 120.400 0.009 0.000 2.772 75 D HA -0.089 4.500 4.640 -0.085 0.000 0.227 75 D C 0.489 176.769 176.300 -0.034 0.000 1.114 75 D CA 0.741 54.731 54.000 -0.016 0.000 0.832 75 D CB 0.314 41.112 40.800 -0.004 0.000 1.154 75 D HN 0.408 nan 8.370 nan 0.000 0.514 76 T N 3.733 118.227 114.554 -0.099 0.000 2.803 76 T HA -0.211 4.088 4.350 -0.085 0.000 0.269 76 T C 1.731 176.332 174.700 -0.165 0.000 1.052 76 T CA 1.372 63.383 62.100 -0.149 0.000 1.136 76 T CB -0.028 68.688 68.868 -0.254 0.000 0.864 76 T HN 0.543 nan 8.240 nan 0.000 0.467 77 Q N 0.213 119.912 119.800 -0.168 0.000 2.079 77 Q HA -0.039 4.250 4.340 -0.085 0.000 0.200 77 Q C 2.537 178.645 176.000 0.180 0.000 0.974 77 Q CA 1.058 56.880 55.803 0.031 0.000 0.840 77 Q CB -0.310 28.492 28.738 0.107 0.000 0.898 77 Q HN 0.367 nan 8.270 nan 0.000 0.430 78 V N 1.819 121.806 119.914 0.121 0.000 2.453 78 V HA -0.210 3.859 4.120 -0.085 0.000 0.247 78 V C 1.645 177.856 176.094 0.194 0.000 1.048 78 V CA 1.499 63.887 62.300 0.148 0.000 1.049 78 V CB -0.535 31.366 31.823 0.130 0.000 0.672 78 V HN 0.381 nan 8.190 nan 0.000 0.457 79 N N 0.277 119.064 118.700 0.145 0.000 2.223 79 N HA -0.139 4.551 4.740 -0.085 0.000 0.185 79 N C 1.852 177.457 175.510 0.158 0.000 1.016 79 N CA 1.858 54.996 53.050 0.146 0.000 0.863 79 N CB -0.559 37.947 38.487 0.031 0.000 0.983 79 N HN 0.447 nan 8.380 nan 0.000 0.429 80 T N 1.249 115.876 114.554 0.121 0.000 2.867 80 T HA -0.044 4.255 4.350 -0.085 0.000 0.268 80 T C 1.619 176.287 174.700 -0.053 0.000 1.057 80 T CA 0.815 62.974 62.100 0.098 0.000 1.136 80 T CB -0.049 68.980 68.868 0.268 0.000 0.874 80 T HN 0.378 nan 8.240 nan 0.000 0.466 81 E N 0.243 120.402 120.200 -0.068 0.000 2.085 81 E HA -0.151 4.148 4.350 -0.085 0.000 0.194 81 E C 1.842 178.144 176.600 -0.496 0.000 0.994 81 E CA 1.189 57.356 56.400 -0.388 0.000 0.801 81 E CB -0.282 29.168 29.700 -0.416 0.000 0.743 81 E HN 0.598 nan 8.360 nan 0.000 0.453 82 Y N 0.370 120.511 120.300 -0.264 0.000 2.181 82 Y HA -0.216 4.283 4.550 -0.085 0.000 0.288 82 Y C 2.437 178.245 175.900 -0.153 0.000 1.146 82 Y CA 1.387 59.368 58.100 -0.198 0.000 1.164 82 Y CB -0.199 38.199 38.460 -0.103 0.000 0.982 82 Y HN 0.074 nan 8.280 nan 0.000 0.515 83 M N -0.809 118.815 119.600 0.040 0.000 2.156 83 M HA -0.171 4.258 4.480 -0.085 0.000 0.264 83 M C 1.911 178.182 176.300 -0.049 0.000 1.067 83 M CA 1.409 56.717 55.300 0.013 0.000 1.131 83 M CB -0.240 32.379 32.600 0.032 0.000 1.368 83 M HN 0.140 nan 8.290 nan 0.000 0.416 84 V N 1.299 121.127 119.914 -0.143 0.000 2.295 84 V HA -0.305 3.764 4.120 -0.085 0.000 0.246 84 V C 2.050 178.138 176.094 -0.009 0.000 1.049 84 V CA 2.347 64.574 62.300 -0.122 0.000 1.024 84 V CB -1.308 30.348 31.823 -0.279 0.000 0.648 84 V HN 0.602 nan 8.190 nan 0.000 0.447 85 N N 0.430 119.070 118.700 -0.100 0.000 2.149 85 N HA -0.160 4.529 4.740 -0.085 0.000 0.188 85 N C 1.697 177.200 175.510 -0.011 0.000 1.019 85 N CA 1.627 54.646 53.050 -0.052 0.000 0.857 85 N CB -0.309 38.013 38.487 -0.276 0.000 0.997 85 N HN 0.436 nan 8.380 nan 0.000 0.426 86 A N 0.278 123.084 122.820 -0.023 0.000 1.930 86 A HA -0.031 4.238 4.320 -0.085 0.000 0.217 86 A C 2.245 179.844 177.584 0.026 0.000 1.175 86 A CA 1.014 53.053 52.037 0.004 0.000 0.627 86 A CB -0.652 18.356 19.000 0.014 0.000 0.815 86 A HN 0.398 nan 8.150 nan 0.000 0.443 87 I N -0.445 120.142 120.570 0.029 0.000 2.315 87 I HA -0.196 3.923 4.170 -0.085 0.000 0.248 87 I C 2.506 178.672 176.117 0.081 0.000 1.117 87 I CA 1.617 62.946 61.300 0.048 0.000 1.404 87 I CB -0.588 37.426 38.000 0.023 0.000 1.071 87 I HN 0.247 nan 8.210 nan 0.000 0.419 88 T N 0.868 115.464 114.554 0.071 0.000 2.708 88 T HA -0.146 4.153 4.350 -0.085 0.000 0.266 88 T C 2.092 176.866 174.700 0.124 0.000 1.037 88 T CA 1.500 63.656 62.100 0.094 0.000 1.146 88 T CB -0.320 68.606 68.868 0.096 0.000 0.865 88 T HN 0.465 nan 8.240 nan 0.000 0.435 89 A N 1.098 123.968 122.820 0.084 0.000 1.902 89 A HA 0.061 4.330 4.320 -0.085 0.000 0.217 89 A C 2.284 179.907 177.584 0.065 0.000 1.181 89 A CA 1.125 53.200 52.037 0.064 0.000 0.623 89 A CB -0.755 18.264 19.000 0.031 0.000 0.818 89 A HN 0.477 nan 8.150 nan 0.000 0.443 90 L N -2.360 118.907 121.223 0.072 0.000 2.179 90 L HA -0.103 4.186 4.340 -0.085 0.000 0.208 90 L C 2.517 179.445 176.870 0.096 0.000 1.096 90 L CA 1.187 56.065 54.840 0.063 0.000 0.779 90 L CB -0.547 41.543 42.059 0.052 0.000 0.922 90 L HN 0.572 nan 8.230 nan 0.000 0.443 91 Y N 1.019 121.326 120.300 0.012 0.000 2.145 91 Y HA -0.273 4.226 4.550 -0.085 0.000 0.286 91 Y C 2.508 178.415 175.900 0.012 0.000 1.145 91 Y CA 1.530 59.639 58.100 0.014 0.000 1.148 91 Y CB -0.176 38.294 38.460 0.017 0.000 0.981 91 Y HN 0.082 nan 8.280 nan 0.000 0.507 92 A N -0.158 122.720 122.820 0.096 0.000 1.897 92 A HA -0.013 4.256 4.320 -0.085 0.000 0.215 92 A C 2.405 179.965 177.584 -0.041 0.000 1.181 92 A CA 1.392 53.430 52.037 0.002 0.000 0.620 92 A CB -1.617 17.430 19.000 0.078 0.000 0.821 92 A HN 0.566 nan 8.150 nan 0.000 0.443 93 G N -0.228 108.567 108.800 -0.009 0.000 2.498 93 G HA2 -0.054 3.855 3.960 -0.085 0.000 0.219 93 G HA3 -0.054 3.855 3.960 -0.085 0.000 0.219 93 G C 1.431 176.309 174.900 -0.037 0.000 1.119 93 G CA 1.425 46.514 45.100 -0.018 0.000 0.766 93 G HN 0.887 nan 8.290 nan 0.000 0.552 94 S N -1.207 114.455 115.700 -0.062 0.000 2.568 94 S HA 0.445 4.864 4.470 -0.085 0.000 0.232 94 S C 1.305 175.838 174.600 -0.112 0.000 0.975 94 S CA 0.629 58.787 58.200 -0.069 0.000 0.949 94 S CB 0.245 63.416 63.200 -0.048 0.000 0.829 94 S HN 1.405 nan 8.310 nan 0.000 0.479 95 G N 2.247 110.966 108.800 -0.135 0.000 2.203 95 G HA2 -0.233 3.676 3.960 -0.085 0.000 0.231 95 G HA3 -0.233 3.676 3.960 -0.085 0.000 0.231 95 G C 0.061 174.810 174.900 -0.252 0.000 1.058 95 G CA -0.373 44.640 45.100 -0.146 0.000 0.781 95 G HN 0.500 nan 8.290 nan 0.000 0.496 96 N N -0.805 117.633 118.700 -0.437 0.000 2.738 96 N HA -0.158 4.531 4.740 -0.085 0.000 0.249 96 N C -0.286 174.656 175.510 -0.947 0.000 1.047 96 N CA 1.584 54.087 53.050 -0.912 0.000 0.707 96 N CB -1.011 37.234 38.487 -0.404 0.000 0.937 96 N HN 0.753 nan 8.380 nan 0.000 0.545 97 N N 0.848 119.123 118.700 -0.710 0.000 2.361 97 N HA 0.237 4.926 4.740 -0.085 0.000 0.302 97 N C 0.159 175.646 175.510 -0.040 0.000 1.074 97 N CA -0.465 52.419 53.050 -0.276 0.000 0.850 97 N CB 1.535 39.947 38.487 -0.124 0.000 1.228 97 N HN 0.053 nan 8.380 nan 0.000 0.491 98 K N 1.288 121.786 120.400 0.163 0.000 2.436 98 K HA 0.186 4.455 4.320 -0.085 0.000 0.275 98 K C -0.103 176.586 176.600 0.148 0.000 0.999 98 K CA 0.084 56.513 56.287 0.236 0.000 0.980 98 K CB 0.423 33.020 32.500 0.161 0.000 0.919 98 K HN 0.441 nan 8.250 nan 0.000 0.484 99 L N 1.178 122.488 121.223 0.145 0.000 2.381 99 L HA 0.684 4.973 4.340 -0.085 0.000 0.268 99 L C -2.652 174.252 176.870 0.057 0.000 0.997 99 L CA -2.562 52.339 54.840 0.103 0.000 0.818 99 L CB 1.875 43.993 42.059 0.098 0.000 1.310 99 L HN 0.396 nan 8.230 nan 0.000 0.416 100 P HA 0.241 nan 4.420 nan 0.000 0.277 100 P C -1.011 176.244 177.300 -0.075 0.000 1.240 100 P CA -0.329 62.748 63.100 -0.039 0.000 0.798 100 P CB 2.006 33.657 31.700 -0.082 0.000 0.979 101 V N 3.535 123.397 119.914 -0.086 0.000 2.487 101 V HA 0.402 4.471 4.120 -0.085 0.000 0.298 101 V C 0.132 176.145 176.094 -0.134 0.000 1.028 101 V CA -0.699 61.549 62.300 -0.085 0.000 0.860 101 V CB 1.693 33.497 31.823 -0.033 0.000 0.991 101 V HN 0.464 nan 8.190 nan 0.000 0.427 102 L N 5.305 126.426 121.223 -0.171 0.000 2.341 102 L HA 0.909 5.198 4.340 -0.085 0.000 0.278 102 L C 0.043 176.856 176.870 -0.094 0.000 1.005 102 L CA 0.169 54.880 54.840 -0.214 0.000 0.818 102 L CB 2.134 43.970 42.059 -0.372 0.000 1.259 102 L HN 0.926 nan 8.230 nan 0.000 0.418 103 T N 0.222 114.811 114.554 0.058 0.000 2.865 103 T HA 0.598 4.897 4.350 -0.085 0.000 0.294 103 T C -1.599 173.399 174.700 0.496 0.000 1.119 103 T CA -0.639 61.619 62.100 0.264 0.000 1.007 103 T CB 1.731 70.696 68.868 0.160 0.000 1.225 103 T HN 0.630 nan 8.240 nan 0.000 0.515 104 W N 1.214 122.690 121.300 0.294 0.000 3.129 104 W HA 0.620 5.229 4.660 -0.086 0.000 0.333 104 W C 0.502 177.061 176.519 0.066 0.000 1.141 104 W CA 0.470 57.922 57.345 0.178 0.000 1.224 104 W CB 1.474 30.998 29.460 0.107 0.000 1.393 104 W HN 1.351 nan 8.180 nan 0.000 0.499 105 S N 1.900 117.285 115.700 -0.526 0.000 4.059 105 S HA -0.441 3.979 4.470 -0.085 0.000 0.624 105 S C 1.505 175.954 174.600 -0.251 0.000 2.019 105 S CA 1.973 59.845 58.200 -0.546 0.000 4.197 105 S CB -1.580 60.993 63.200 -1.046 0.000 0.215 105 S HN 0.907 nan 8.310 nan 0.000 0.609 106 Q N 1.045 120.710 119.800 -0.226 0.000 2.248 106 Q HA -0.114 4.175 4.340 -0.085 0.000 0.208 106 Q C 2.143 178.116 176.000 -0.045 0.000 0.984 106 Q CA 2.095 57.825 55.803 -0.121 0.000 0.875 106 Q CB -1.167 27.507 28.738 -0.107 0.000 0.910 106 Q HN 0.824 nan 8.270 nan 0.000 0.433 107 G N -0.245 108.549 108.800 -0.009 0.000 2.475 107 G HA2 -0.259 3.650 3.960 -0.085 0.000 0.220 107 G HA3 -0.259 3.650 3.960 -0.085 0.000 0.220 107 G C 1.209 176.161 174.900 0.088 0.000 1.125 107 G CA 0.789 45.940 45.100 0.085 0.000 0.755 107 G HN 0.530 nan 8.290 nan 0.000 0.565 108 G N 0.522 109.342 108.800 0.035 0.000 2.403 108 G HA2 -0.045 3.864 3.960 -0.085 0.000 0.216 108 G HA3 -0.045 3.864 3.960 -0.085 0.000 0.216 108 G C 1.688 176.694 174.900 0.177 0.000 1.154 108 G CA 0.861 45.993 45.100 0.054 0.000 0.784 108 G HN 0.395 nan 8.290 nan 0.000 0.538 109 L N 0.886 122.157 121.223 0.079 0.000 2.093 109 L HA 0.049 4.338 4.340 -0.085 0.000 0.208 109 L C 2.844 179.868 176.870 0.257 0.000 1.085 109 L CA 1.281 56.246 54.840 0.208 0.000 0.755 109 L CB -0.409 41.696 42.059 0.077 0.000 0.904 109 L HN 0.067 nan 8.230 nan 0.000 0.435 110 V N -0.035 119.978 119.914 0.165 0.000 2.343 110 V HA -0.272 3.797 4.120 -0.085 0.000 0.247 110 V C 2.765 179.001 176.094 0.237 0.000 1.051 110 V CA 1.595 64.004 62.300 0.182 0.000 1.036 110 V CB -1.204 30.683 31.823 0.107 0.000 0.654 110 V HN 0.600 nan 8.190 nan 0.000 0.451 111 A N -0.739 122.199 122.820 0.197 0.000 1.930 111 A HA -0.261 4.009 4.320 -0.085 0.000 0.217 111 A C 2.149 179.845 177.584 0.187 0.000 1.175 111 A CA 2.032 54.168 52.037 0.164 0.000 0.627 111 A CB -0.433 18.643 19.000 0.128 0.000 0.815 111 A HN 0.526 nan 8.150 nan 0.000 0.443 112 Q N -1.350 118.602 119.800 0.254 0.000 2.187 112 Q HA -0.094 4.195 4.340 -0.085 0.000 0.199 112 Q C 1.835 177.989 176.000 0.257 0.000 0.957 112 Q CA 1.195 57.112 55.803 0.190 0.000 0.857 112 Q CB -0.361 28.470 28.738 0.156 0.000 0.929 112 Q HN 0.792 nan 8.270 nan 0.000 0.453 113 W N 0.120 121.539 121.300 0.198 0.000 2.358 113 W HA -0.084 4.522 4.660 -0.090 0.000 0.303 113 W C 1.514 178.262 176.519 0.382 0.000 1.208 113 W CA 1.742 59.282 57.345 0.325 0.000 1.274 113 W CB -0.433 29.215 29.460 0.313 0.000 1.138 113 W HN 0.304 nan 8.180 nan 0.000 0.515 114 G N 1.070 110.123 108.800 0.422 0.000 2.404 114 G HA2 -0.249 3.661 3.960 -0.085 0.000 0.215 114 G HA3 -0.249 3.661 3.960 -0.085 0.000 0.215 114 G C 1.627 176.645 174.900 0.196 0.000 1.174 114 G CA 0.947 46.203 45.100 0.261 0.000 0.780 114 G HN 0.235 nan 8.290 nan 0.000 0.537 115 L N 0.627 121.911 121.223 0.102 0.000 2.265 115 L HA -0.045 4.244 4.340 -0.085 0.000 0.215 115 L C 2.992 179.819 176.870 -0.071 0.000 1.117 115 L CA 1.181 56.032 54.840 0.019 0.000 0.782 115 L CB -0.289 41.766 42.059 -0.006 0.000 0.914 115 L HN 0.192 nan 8.230 nan 0.000 0.441 116 T N -1.139 113.329 114.554 -0.144 0.000 2.852 116 T HA -0.012 4.287 4.350 -0.085 0.000 0.256 116 T C 1.186 175.510 174.700 -0.626 0.000 1.038 116 T CA 1.063 62.889 62.100 -0.456 0.000 1.141 116 T CB -0.085 68.372 68.868 -0.685 0.000 0.869 116 T HN 0.119 nan 8.240 nan 0.000 0.439 117 F N -0.166 119.633 119.950 -0.253 0.000 2.695 117 F HA 0.418 4.893 4.527 -0.086 0.000 0.303 117 F C -0.172 175.354 175.800 -0.457 0.000 1.091 117 F CA -0.574 57.190 58.000 -0.393 0.000 1.300 117 F CB 0.323 38.975 39.000 -0.580 0.000 1.071 117 F HN 0.023 nan 8.300 nan 0.000 0.578 118 F N 0.439 120.319 119.950 -0.116 0.000 2.564 118 F HA 0.386 4.861 4.527 -0.086 0.000 0.361 118 F C -1.930 173.811 175.800 -0.099 0.000 1.161 118 F CA -2.901 55.039 58.000 -0.099 0.000 1.198 118 F CB 0.715 39.697 39.000 -0.029 0.000 1.424 118 F HN -0.203 nan 8.300 nan 0.000 0.517 119 P HA -0.220 nan 4.420 nan 0.000 0.217 119 P C 1.787 179.068 177.300 -0.031 0.000 1.148 119 P CA 1.828 64.900 63.100 -0.047 0.000 0.828 119 P CB 0.181 31.832 31.700 -0.081 0.000 0.783 120 S N 0.086 115.779 115.700 -0.011 0.000 2.399 120 S HA -0.167 4.252 4.470 -0.085 0.000 0.231 120 S C 1.892 176.452 174.600 -0.067 0.000 1.022 120 S CA 1.328 59.505 58.200 -0.039 0.000 0.983 120 S CB -1.688 61.497 63.200 -0.026 0.000 0.803 120 S HN 0.345 nan 8.310 nan 0.000 0.480 121 I N -1.066 119.490 120.570 -0.023 0.000 3.291 121 I HA 0.148 4.267 4.170 -0.085 0.000 0.279 121 I C 2.209 178.286 176.117 -0.068 0.000 1.294 121 I CA 0.208 61.475 61.300 -0.056 0.000 1.428 121 I CB -0.300 37.695 38.000 -0.008 0.000 1.070 121 I HN 0.073 nan 8.210 nan 0.000 0.478 122 R N 1.718 122.185 120.500 -0.056 0.000 2.237 122 R HA -0.044 4.245 4.340 -0.085 0.000 0.219 122 R C 2.029 178.290 176.300 -0.065 0.000 1.080 122 R CA 1.456 57.524 56.100 -0.055 0.000 0.995 122 R CB -0.276 29.992 30.300 -0.055 0.000 0.875 122 R HN 0.633 nan 8.270 nan 0.000 0.462 123 S N -0.386 115.255 115.700 -0.099 0.000 2.540 123 S HA 0.160 4.579 4.470 -0.085 0.000 0.218 123 S C 1.245 175.756 174.600 -0.148 0.000 0.977 123 S CA -0.255 57.885 58.200 -0.099 0.000 0.918 123 S CB 0.430 63.569 63.200 -0.102 0.000 0.806 123 S HN 0.182 nan 8.310 nan 0.000 0.496 124 K N 0.615 120.894 120.400 -0.201 0.000 2.370 124 K HA 0.301 4.570 4.320 -0.085 0.000 0.194 124 K C -0.442 176.162 176.600 0.006 0.000 1.070 124 K CA 0.101 56.244 56.287 -0.240 0.000 0.998 124 K CB 0.783 33.003 32.500 -0.467 0.000 0.911 124 K HN 0.184 nan 8.250 nan 0.000 0.533 125 V N 2.710 122.617 119.914 -0.012 0.000 2.385 125 V HA -0.017 4.052 4.120 -0.085 0.000 0.269 125 V C 0.727 176.833 176.094 0.021 0.000 1.043 125 V CA 0.080 62.389 62.300 0.015 0.000 0.906 125 V CB 1.212 33.033 31.823 -0.003 0.000 0.995 125 V HN 0.143 nan 8.190 nan 0.000 0.467 126 D N 4.124 124.547 120.400 0.039 0.000 2.117 126 D HA -0.034 4.556 4.640 -0.085 0.000 0.198 126 D C 0.929 177.234 176.300 0.009 0.000 0.982 126 D CA 1.241 55.262 54.000 0.036 0.000 0.828 126 D CB 0.389 41.222 40.800 0.055 0.000 0.967 126 D HN 0.746 nan 8.370 nan 0.000 0.464 127 R N -1.878 118.617 120.500 -0.008 0.000 2.741 127 R HA 0.451 4.740 4.340 -0.085 0.000 0.276 127 R C -2.127 174.141 176.300 -0.053 0.000 1.028 127 R CA -0.962 55.120 56.100 -0.031 0.000 0.865 127 R CB 0.347 30.626 30.300 -0.034 0.000 1.268 127 R HN 0.045 nan 8.270 nan 0.000 0.475 128 L N 1.525 122.707 121.223 -0.068 0.000 2.381 128 L HA 0.569 4.858 4.340 -0.085 0.000 0.274 128 L C -1.341 175.447 176.870 -0.137 0.000 0.988 128 L CA -0.761 54.031 54.840 -0.081 0.000 0.824 128 L CB 1.962 43.996 42.059 -0.040 0.000 1.263 128 L HN 0.835 nan 8.230 nan 0.000 0.410 129 M N 5.744 125.220 119.600 -0.206 0.000 2.027 129 M HA 0.747 5.176 4.480 -0.085 0.000 0.329 129 M C -1.027 175.012 176.300 -0.436 0.000 0.971 129 M CA -0.384 54.697 55.300 -0.365 0.000 0.933 129 M CB 0.918 33.255 32.600 -0.438 0.000 1.392 129 M HN 0.664 nan 8.290 nan 0.000 0.394 130 A N 4.597 127.194 122.820 -0.372 0.000 2.276 130 A HA 0.753 5.022 4.320 -0.085 0.000 0.316 130 A C -1.395 175.975 177.584 -0.357 0.000 1.229 130 A CA -0.397 51.495 52.037 -0.241 0.000 0.851 130 A CB 0.122 19.097 19.000 -0.041 0.000 1.165 130 A HN 0.711 nan 8.150 nan 0.000 0.513 131 F N 2.071 122.067 119.950 0.076 0.000 2.385 131 F HA 0.514 4.991 4.527 -0.084 0.000 0.360 131 F C 1.111 177.031 175.800 0.201 0.000 1.122 131 F CA 0.407 58.502 58.000 0.158 0.000 1.090 131 F CB 1.564 40.682 39.000 0.197 0.000 1.150 131 F HN 0.994 nan 8.300 nan 0.000 0.472 132 A N 3.277 126.286 122.820 0.315 0.000 2.687 132 A HA -0.168 4.101 4.320 -0.085 0.000 0.299 132 A C -2.555 175.037 177.584 0.012 0.000 1.497 132 A CA -0.307 51.856 52.037 0.209 0.000 0.751 132 A CB -2.145 16.978 19.000 0.206 0.000 1.048 132 A HN 0.345 nan 8.150 nan 0.000 0.464 133 P HA 0.351 nan 4.420 nan 0.000 0.276 133 P C -0.658 176.329 177.300 -0.522 0.000 1.230 133 P CA 0.133 62.962 63.100 -0.452 0.000 0.776 133 P CB 0.877 32.097 31.700 -0.800 0.000 0.888 134 D N 2.583 122.737 120.400 -0.410 0.000 2.772 134 D HA 0.046 4.635 4.640 -0.085 0.000 0.273 134 D C 0.442 176.640 176.300 -0.171 0.000 1.233 134 D CA -0.747 53.104 54.000 -0.247 0.000 0.984 134 D CB -0.467 40.251 40.800 -0.138 0.000 1.000 134 D HN 0.183 nan 8.370 nan 0.000 0.514 135 Y N 1.069 121.373 120.300 0.006 0.000 2.274 135 Y HA -0.074 4.420 4.550 -0.094 0.000 0.290 135 Y C 1.962 177.897 175.900 0.059 0.000 1.145 135 Y CA 0.842 58.968 58.100 0.044 0.000 1.203 135 Y CB -0.143 38.339 38.460 0.035 0.000 0.984 135 Y HN 0.137 nan 8.280 nan 0.000 0.533 136 K N -0.152 120.344 120.400 0.161 0.000 2.372 136 K HA 0.309 4.578 4.320 -0.085 0.000 0.200 136 K C 0.950 177.588 176.600 0.063 0.000 1.022 136 K CA 0.466 56.823 56.287 0.117 0.000 1.125 136 K CB 0.227 32.785 32.500 0.096 0.000 0.855 136 K HN 0.369 nan 8.250 nan 0.000 0.524 137 G N 1.152 109.970 108.800 0.030 0.000 2.593 137 G HA2 -0.270 3.639 3.960 -0.085 0.000 0.237 137 G HA3 -0.270 3.639 3.960 -0.085 0.000 0.237 137 G C -0.504 174.377 174.900 -0.032 0.000 1.312 137 G CA -0.123 44.972 45.100 -0.008 0.000 0.896 137 G HN 0.185 nan 8.290 nan 0.000 0.574 138 T N -1.579 112.946 114.554 -0.048 0.000 2.952 138 T HA 0.580 4.879 4.350 -0.085 0.000 0.305 138 T C 1.449 176.114 174.700 -0.058 0.000 1.064 138 T CA 0.699 62.763 62.100 -0.060 0.000 1.008 138 T CB 1.391 70.199 68.868 -0.100 0.000 1.078 138 T HN 2.046 nan 8.240 nan 0.000 0.459 139 V N 3.979 123.867 119.914 -0.044 0.000 2.970 139 V HA 0.137 4.206 4.120 -0.085 0.000 0.260 139 V C 2.061 178.117 176.094 -0.064 0.000 1.100 139 V CA 1.102 63.376 62.300 -0.043 0.000 1.122 139 V CB -1.074 30.734 31.823 -0.025 0.000 0.721 139 V HN 0.838 nan 8.190 nan 0.000 0.483 140 L N 0.673 121.851 121.223 -0.075 0.000 2.376 140 L HA 0.115 4.404 4.340 -0.085 0.000 0.219 140 L C 2.793 179.595 176.870 -0.114 0.000 1.133 140 L CA 1.116 55.904 54.840 -0.087 0.000 0.816 140 L CB -0.681 41.324 42.059 -0.090 0.000 0.933 140 L HN 0.421 nan 8.230 nan 0.000 0.449 141 A N 0.294 123.035 122.820 -0.132 0.000 2.123 141 A HA 0.080 4.349 4.320 -0.085 0.000 0.214 141 A C 2.373 179.827 177.584 -0.216 0.000 1.152 141 A CA 0.936 52.866 52.037 -0.178 0.000 0.728 141 A CB -0.734 18.154 19.000 -0.187 0.000 0.814 141 A HN 0.389 nan 8.150 nan 0.000 0.464 142 G N 1.216 109.916 108.800 -0.167 0.000 2.553 142 G HA2 -0.252 3.657 3.960 -0.085 0.000 0.218 142 G HA3 -0.252 3.657 3.960 -0.085 0.000 0.218 142 G C -0.200 174.592 174.900 -0.181 0.000 1.195 142 G CA 1.462 46.462 45.100 -0.167 0.000 0.779 142 G HN 0.488 nan 8.290 nan 0.000 0.577 143 P HA -0.068 nan 4.420 nan 0.000 0.216 143 P C 2.012 179.224 177.300 -0.146 0.000 1.150 143 P CA 0.816 63.847 63.100 -0.115 0.000 0.843 143 P CB -0.141 31.506 31.700 -0.088 0.000 0.787 144 L N -0.937 120.172 121.223 -0.190 0.000 2.093 144 L HA -0.139 4.150 4.340 -0.085 0.000 0.208 144 L C 1.931 178.613 176.870 -0.313 0.000 1.085 144 L CA 1.357 56.069 54.840 -0.213 0.000 0.755 144 L CB -1.033 40.894 42.059 -0.219 0.000 0.904 144 L HN -0.022 nan 8.230 nan 0.000 0.435 145 D N 0.787 120.887 120.400 -0.499 0.000 2.117 145 D HA -0.153 4.436 4.640 -0.085 0.000 0.197 145 D C 2.274 178.366 176.300 -0.347 0.000 0.987 145 D CA 1.560 55.044 54.000 -0.860 0.000 0.829 145 D CB -0.033 40.023 40.800 -1.241 0.000 0.961 145 D HN 0.293 nan 8.370 nan 0.000 0.460 146 A N 0.609 123.314 122.820 -0.192 0.000 1.972 146 A HA -0.090 4.179 4.320 -0.085 0.000 0.219 146 A C 2.230 179.804 177.584 -0.016 0.000 1.169 146 A CA 0.813 52.822 52.037 -0.048 0.000 0.635 146 A CB -0.615 18.357 19.000 -0.046 0.000 0.810 146 A HN 0.231 nan 8.150 nan 0.000 0.446 147 L N -1.661 119.531 121.223 -0.051 0.000 2.591 147 L HA 0.218 4.507 4.340 -0.085 0.000 0.228 147 L C 1.523 178.399 176.870 0.010 0.000 1.133 147 L CA 0.354 55.181 54.840 -0.022 0.000 0.880 147 L CB -0.309 41.725 42.059 -0.042 0.000 1.033 147 L HN 0.520 nan 8.230 nan 0.000 0.450 148 A N 0.127 122.969 122.820 0.036 0.000 2.872 148 A HA -0.172 4.098 4.320 -0.085 0.000 0.273 148 A C 1.006 178.641 177.584 0.084 0.000 1.442 148 A CA 0.908 53.024 52.037 0.132 0.000 0.801 148 A CB -2.182 16.902 19.000 0.139 0.000 1.031 148 A HN 0.414 nan 8.150 nan 0.000 0.582 149 V N -3.163 116.754 119.914 0.005 0.000 3.214 149 V HA 0.534 4.603 4.120 -0.085 0.000 0.330 149 V C 0.555 176.631 176.094 -0.031 0.000 1.403 149 V CA 0.465 62.762 62.300 -0.006 0.000 1.143 149 V CB 0.327 32.130 31.823 -0.032 0.000 1.098 149 V HN 0.681 nan 8.190 nan 0.000 0.463 150 S N 2.050 117.720 115.700 -0.052 0.000 2.508 150 S HA 0.827 5.247 4.470 -0.085 0.000 0.284 150 S C 0.547 175.209 174.600 0.103 0.000 1.192 150 S CA 0.141 58.266 58.200 -0.124 0.000 1.070 150 S CB 1.533 64.390 63.200 -0.571 0.000 1.004 150 S HN 0.899 nan 8.310 nan 0.000 0.493 151 A N 4.251 127.113 122.820 0.071 0.000 2.313 151 A HA 0.481 4.750 4.320 -0.085 0.000 0.261 151 A C -1.530 176.187 177.584 0.222 0.000 1.090 151 A CA -1.323 50.790 52.037 0.126 0.000 0.807 151 A CB -0.533 18.503 19.000 0.060 0.000 1.055 151 A HN 0.524 nan 8.150 nan 0.000 0.492 152 P HA -0.243 nan 4.420 nan 0.000 0.216 152 P C 1.761 179.140 177.300 0.132 0.000 1.167 152 P CA 2.742 65.928 63.100 0.144 0.000 0.914 152 P CB -0.051 31.683 31.700 0.056 0.000 0.793 153 S N -1.649 114.089 115.700 0.063 0.000 2.447 153 S HA -0.085 4.334 4.470 -0.085 0.000 0.233 153 S C 1.919 176.528 174.600 0.015 0.000 1.006 153 S CA 1.135 59.345 58.200 0.016 0.000 0.957 153 S CB -1.590 61.600 63.200 -0.016 0.000 0.773 153 S HN -0.050 nan 8.310 nan 0.000 0.507 154 V N -0.006 119.924 119.914 0.025 0.000 2.453 154 V HA -0.063 4.006 4.120 -0.085 0.000 0.247 154 V C 2.202 178.270 176.094 -0.044 0.000 1.048 154 V CA 1.425 63.695 62.300 -0.050 0.000 1.049 154 V CB -1.077 30.680 31.823 -0.110 0.000 0.672 154 V HN 0.565 nan 8.190 nan 0.000 0.457 155 W N 0.514 121.784 121.300 -0.050 0.000 2.338 155 W HA -0.190 4.419 4.660 -0.086 0.000 0.304 155 W C 2.710 179.199 176.519 -0.050 0.000 1.212 155 W CA 1.615 58.934 57.345 -0.043 0.000 1.264 155 W CB -0.282 29.155 29.460 -0.038 0.000 1.142 155 W HN 0.240 nan 8.180 nan 0.000 0.512 156 Q N -0.516 119.392 119.800 0.180 0.000 2.297 156 Q HA -0.156 4.133 4.340 -0.085 0.000 0.204 156 Q C 1.611 177.619 176.000 0.013 0.000 0.962 156 Q CA 0.904 56.741 55.803 0.057 0.000 0.879 156 Q CB -0.288 28.428 28.738 -0.038 0.000 0.947 156 Q HN 0.455 nan 8.270 nan 0.000 0.462 157 Q N 0.191 119.988 119.800 -0.005 0.000 2.280 157 Q HA 0.088 4.377 4.340 -0.085 0.000 0.202 157 Q C -0.337 175.641 176.000 -0.037 0.000 0.903 157 Q CA 0.077 55.859 55.803 -0.034 0.000 0.948 157 Q CB 0.734 29.431 28.738 -0.068 0.000 1.058 157 Q HN 0.117 nan 8.270 nan 0.000 0.493 158 T N 1.431 115.975 114.554 -0.017 0.000 2.817 158 T HA 0.133 4.432 4.350 -0.085 0.000 0.293 158 T C 0.225 174.931 174.700 0.010 0.000 0.964 158 T CA -0.255 61.827 62.100 -0.030 0.000 1.085 158 T CB 1.319 70.158 68.868 -0.049 0.000 0.921 158 T HN 0.016 nan 8.240 nan 0.000 0.502 159 T N 2.942 117.497 114.554 0.001 0.000 2.908 159 T HA 0.366 4.665 4.350 -0.085 0.000 0.301 159 T C 1.491 176.216 174.700 0.043 0.000 1.019 159 T CA 0.966 63.082 62.100 0.026 0.000 1.152 159 T CB 0.177 69.054 68.868 0.016 0.000 0.966 159 T HN 1.010 nan 8.240 nan 0.000 0.540 160 G N 2.679 111.516 108.800 0.063 0.000 2.157 160 G HA2 -0.273 3.636 3.960 -0.085 0.000 0.248 160 G HA3 -0.273 3.636 3.960 -0.085 0.000 0.248 160 G C 0.362 175.315 174.900 0.088 0.000 0.979 160 G CA 0.106 45.249 45.100 0.072 0.000 0.650 160 G HN 1.172 nan 8.290 nan 0.000 0.529 161 S N -0.295 115.462 115.700 0.094 0.000 2.614 161 S HA 0.729 5.148 4.470 -0.085 0.000 0.265 161 S C 1.813 176.475 174.600 0.103 0.000 1.303 161 S CA 0.483 58.748 58.200 0.108 0.000 1.000 161 S CB 1.740 65.004 63.200 0.107 0.000 0.935 161 S HN 1.677 nan 8.310 nan 0.000 0.551 162 A N 1.230 124.105 122.820 0.091 0.000 1.908 162 A HA -0.036 4.233 4.320 -0.085 0.000 0.218 162 A C 2.057 179.719 177.584 0.130 0.000 1.181 162 A CA 1.531 53.625 52.037 0.095 0.000 0.627 162 A CB -1.028 18.006 19.000 0.058 0.000 0.818 162 A HN 0.938 nan 8.150 nan 0.000 0.445 163 L N 0.035 121.308 121.223 0.083 0.000 2.027 163 L HA -0.159 4.130 4.340 -0.085 0.000 0.206 163 L C 2.876 179.879 176.870 0.221 0.000 1.074 163 L CA 2.417 57.298 54.840 0.069 0.000 0.745 163 L CB -0.490 41.462 42.059 -0.178 0.000 0.898 163 L HN 0.593 nan 8.230 nan 0.000 0.433 164 T N -4.816 109.834 114.554 0.161 0.000 2.915 164 T HA -0.137 4.162 4.350 -0.085 0.000 0.269 164 T C 1.674 176.508 174.700 0.224 0.000 1.071 164 T CA 1.508 63.730 62.100 0.203 0.000 1.132 164 T CB -0.822 68.129 68.868 0.138 0.000 0.878 164 T HN 0.336 nan 8.240 nan 0.000 0.479 165 T N 2.199 116.873 114.554 0.200 0.000 2.737 165 T HA 0.145 4.444 4.350 -0.085 0.000 0.265 165 T C 2.533 177.381 174.700 0.247 0.000 1.038 165 T CA 1.181 63.396 62.100 0.192 0.000 1.144 165 T CB -0.848 68.115 68.868 0.158 0.000 0.866 165 T HN 0.577 nan 8.240 nan 0.000 0.434 166 A N 1.321 124.331 122.820 0.316 0.000 1.908 166 A HA -0.068 4.201 4.320 -0.085 0.000 0.218 166 A C 2.253 180.047 177.584 0.350 0.000 1.181 166 A CA 1.441 53.715 52.037 0.394 0.000 0.627 166 A CB -0.867 18.411 19.000 0.463 0.000 0.818 166 A HN 0.407 nan 8.150 nan 0.000 0.445 167 L N -0.261 121.230 121.223 0.446 0.000 2.046 167 L HA -0.107 4.183 4.340 -0.085 0.000 0.208 167 L C 2.478 179.421 176.870 0.120 0.000 1.077 167 L CA 2.423 57.457 54.840 0.323 0.000 0.747 167 L CB -0.511 41.846 42.059 0.497 0.000 0.896 167 L HN 0.499 nan 8.230 nan 0.000 0.432 168 R N -0.779 119.819 120.500 0.163 0.000 2.066 168 R HA -0.141 4.148 4.340 -0.085 0.000 0.232 168 R C 1.917 178.267 176.300 0.082 0.000 1.131 168 R CA 1.627 57.797 56.100 0.118 0.000 0.955 168 R CB -0.257 30.128 30.300 0.142 0.000 0.851 168 R HN 0.398 nan 8.270 nan 0.000 0.432 169 N N 0.468 119.246 118.700 0.131 0.000 2.381 169 N HA -0.086 4.603 4.740 -0.085 0.000 0.182 169 N C 1.058 176.654 175.510 0.142 0.000 1.025 169 N CA 1.231 54.389 53.050 0.180 0.000 0.888 169 N CB 0.001 38.668 38.487 0.299 0.000 0.965 169 N HN 0.341 nan 8.380 nan 0.000 0.438 170 A N -0.255 122.467 122.820 -0.165 0.000 2.251 170 A HA 0.419 4.688 4.320 -0.085 0.000 0.209 170 A C 1.383 178.751 177.584 -0.359 0.000 1.187 170 A CA 0.640 52.310 52.037 -0.611 0.000 0.823 170 A CB -0.301 17.942 19.000 -1.263 0.000 0.846 170 A HN 0.267 nan 8.150 nan 0.000 0.486 171 G N -1.923 106.773 108.800 -0.174 0.000 2.132 171 G HA2 -0.134 3.775 3.960 -0.085 0.000 0.228 171 G HA3 -0.134 3.775 3.960 -0.085 0.000 0.228 171 G C 1.002 175.815 174.900 -0.146 0.000 1.000 171 G CA 0.344 45.366 45.100 -0.131 0.000 0.693 171 G HN 1.249 nan 8.290 nan 0.000 0.515 172 G N -0.375 108.332 108.800 -0.154 0.000 2.848 172 G HA2 0.284 4.193 3.960 -0.085 0.000 0.208 172 G HA3 0.284 4.193 3.960 -0.085 0.000 0.208 172 G C 1.344 176.196 174.900 -0.080 0.000 1.152 172 G CA 0.654 45.672 45.100 -0.138 0.000 0.789 172 G HN 0.599 nan 8.290 nan 0.000 0.531 173 L N 1.142 122.371 121.223 0.009 0.000 2.627 173 L HA 0.179 4.468 4.340 -0.085 0.000 0.232 173 L C 0.311 177.291 176.870 0.183 0.000 1.150 173 L CA 0.135 55.026 54.840 0.085 0.000 0.917 173 L CB 0.031 42.237 42.059 0.246 0.000 1.104 173 L HN 0.016 nan 8.230 nan 0.000 0.445 174 T N -0.376 114.220 114.554 0.070 0.000 2.856 174 T HA 0.260 4.560 4.350 -0.085 0.000 0.283 174 T C -0.322 174.349 174.700 -0.048 0.000 1.008 174 T CA -0.591 61.561 62.100 0.087 0.000 0.997 174 T CB 1.810 70.713 68.868 0.058 0.000 0.992 174 T HN 0.179 nan 8.240 nan 0.000 0.454 175 Q N 2.557 122.325 119.800 -0.054 0.000 2.311 175 Q HA 0.304 4.594 4.340 -0.085 0.000 0.272 175 Q C 0.116 176.072 176.000 -0.073 0.000 1.012 175 Q CA 0.044 55.791 55.803 -0.092 0.000 0.891 175 Q CB 0.405 29.093 28.738 -0.085 0.000 1.201 175 Q HN 0.673 nan 8.270 nan 0.000 0.391 176 I N 2.401 122.921 120.570 -0.084 0.000 2.556 176 I HA 0.018 4.137 4.170 -0.085 0.000 0.251 176 I C 0.699 176.782 176.117 -0.056 0.000 1.105 176 I CA 0.233 61.489 61.300 -0.074 0.000 1.436 176 I CB 0.619 38.567 38.000 -0.086 0.000 1.139 176 I HN 0.675 nan 8.210 nan 0.000 0.438 177 V N -2.396 117.486 119.914 -0.053 0.000 2.994 177 V HA 0.527 4.596 4.120 -0.085 0.000 0.318 177 V C -2.715 173.353 176.094 -0.043 0.000 1.085 177 V CA -2.718 59.558 62.300 -0.040 0.000 0.998 177 V CB 0.698 32.502 31.823 -0.033 0.000 1.063 177 V HN -0.112 nan 8.190 nan 0.000 0.447 178 P HA 0.196 nan 4.420 nan 0.000 0.257 178 P C -0.400 176.869 177.300 -0.051 0.000 1.189 178 P CA 0.871 63.948 63.100 -0.038 0.000 0.780 178 P CB -0.105 31.579 31.700 -0.026 0.000 0.772 179 T N 2.732 117.248 114.554 -0.063 0.000 2.856 179 T HA 0.529 4.828 4.350 -0.085 0.000 0.283 179 T C -0.199 174.450 174.700 -0.085 0.000 1.008 179 T CA -0.437 61.617 62.100 -0.076 0.000 0.997 179 T CB 1.226 70.046 68.868 -0.080 0.000 0.992 179 T HN 0.074 nan 8.240 nan 0.000 0.454 180 T N 3.804 118.294 114.554 -0.108 0.000 2.840 180 T HA 0.431 4.730 4.350 -0.085 0.000 0.287 180 T C -0.531 174.083 174.700 -0.144 0.000 0.991 180 T CA -0.889 61.138 62.100 -0.121 0.000 0.964 180 T CB 0.563 69.341 68.868 -0.149 0.000 0.954 180 T HN 0.410 nan 8.240 nan 0.000 0.438 181 N N 3.474 122.131 118.700 -0.072 0.000 2.511 181 N HA 0.280 4.969 4.740 -0.085 0.000 0.249 181 N C -1.215 174.357 175.510 0.103 0.000 0.971 181 N CA -0.621 52.423 53.050 -0.011 0.000 0.938 181 N CB 1.751 40.261 38.487 0.038 0.000 1.131 181 N HN 0.406 nan 8.380 nan 0.000 0.505 182 L N 4.676 125.914 121.223 0.026 0.000 2.264 182 L HA 0.448 4.737 4.340 -0.085 0.000 0.289 182 L C -1.119 175.985 176.870 0.391 0.000 1.044 182 L CA -0.342 54.599 54.840 0.168 0.000 0.807 182 L CB -0.116 41.995 42.059 0.087 0.000 1.192 182 L HN 0.533 nan 8.230 nan 0.000 0.425 183 Y N 2.060 122.462 120.300 0.171 0.000 2.689 183 Y HA 0.700 5.189 4.550 -0.101 0.000 0.333 183 Y C -1.073 174.950 175.900 0.206 0.000 1.190 183 Y CA -1.436 56.777 58.100 0.188 0.000 1.063 183 Y CB 1.237 39.779 38.460 0.137 0.000 1.294 183 Y HN 0.449 nan 8.280 nan 0.000 0.466 184 S N -0.190 115.653 115.700 0.238 0.000 2.526 184 S HA 0.694 5.113 4.470 -0.085 0.000 0.293 184 S C 0.435 175.118 174.600 0.137 0.000 1.092 184 S CA -0.153 58.116 58.200 0.115 0.000 0.980 184 S CB 1.462 64.747 63.200 0.141 0.000 1.048 184 S HN 1.362 nan 8.310 nan 0.000 0.483 185 A N 2.472 125.331 122.820 0.065 0.000 2.067 185 A HA 0.062 4.331 4.320 -0.085 0.000 0.219 185 A C 1.652 179.281 177.584 0.075 0.000 1.158 185 A CA 1.698 53.786 52.037 0.085 0.000 0.661 185 A CB -0.894 18.135 19.000 0.049 0.000 0.801 185 A HN 1.113 nan 8.150 nan 0.000 0.452 186 T N -2.231 112.357 114.554 0.058 0.000 3.273 186 T HA 0.160 4.459 4.350 -0.085 0.000 0.254 186 T C -0.047 174.689 174.700 0.059 0.000 1.002 186 T CA -0.267 61.855 62.100 0.037 0.000 0.913 186 T CB -0.317 68.550 68.868 -0.003 0.000 1.056 186 T HN 0.227 nan 8.240 nan 0.000 0.576 187 D N 2.971 123.431 120.400 0.101 0.000 2.371 187 D HA -0.014 4.575 4.640 -0.085 0.000 0.256 187 D C 1.220 177.555 176.300 0.059 0.000 1.193 187 D CA -0.020 54.057 54.000 0.128 0.000 0.881 187 D CB 1.015 41.929 40.800 0.190 0.000 1.143 187 D HN 0.567 nan 8.370 nan 0.000 0.473 188 E N 4.700 124.925 120.200 0.041 0.000 2.479 188 E HA -0.063 4.236 4.350 -0.085 0.000 0.193 188 E C 0.891 177.450 176.600 -0.067 0.000 1.049 188 E CA 0.173 56.569 56.400 -0.007 0.000 0.870 188 E CB 0.270 29.971 29.700 0.001 0.000 0.944 188 E HN 0.434 nan 8.360 nan 0.000 0.492 189 I N 0.637 121.122 120.570 -0.142 0.000 3.300 189 I HA 0.112 4.231 4.170 -0.085 0.000 0.279 189 I C 0.711 176.672 176.117 -0.261 0.000 1.172 189 I CA 0.273 61.397 61.300 -0.293 0.000 1.431 189 I CB 0.381 37.978 38.000 -0.671 0.000 1.240 189 I HN -0.155 nan 8.210 nan 0.000 0.453 190 V N 3.748 123.538 119.914 -0.207 0.000 2.384 190 V HA 0.466 4.536 4.120 -0.085 0.000 0.287 190 V C -0.355 175.727 176.094 -0.020 0.000 1.020 190 V CA -0.431 61.804 62.300 -0.108 0.000 0.850 190 V CB 1.638 33.425 31.823 -0.060 0.000 0.987 190 V HN 0.263 nan 8.190 nan 0.000 0.436 191 Q N 4.661 124.446 119.800 -0.024 0.000 2.416 191 Q HA 0.520 4.809 4.340 -0.085 0.000 0.281 191 Q C -2.887 173.114 176.000 0.002 0.000 1.067 191 Q CA -1.966 53.841 55.803 0.007 0.000 0.809 191 Q CB 3.144 31.883 28.738 0.002 0.000 1.418 191 Q HN 0.375 nan 8.270 nan 0.000 0.411 192 P HA 0.293 nan 4.420 nan 0.000 0.278 192 P C -0.160 177.184 177.300 0.073 0.000 1.238 192 P CA -0.137 62.988 63.100 0.042 0.000 0.794 192 P CB 0.907 32.629 31.700 0.037 0.000 0.955 193 Q N 0.858 120.731 119.800 0.122 0.000 1.988 193 Q HA 0.085 4.374 4.340 -0.085 0.000 0.199 193 Q C 1.048 177.197 176.000 0.247 0.000 0.767 193 Q CA 0.177 56.126 55.803 0.243 0.000 0.966 193 Q CB 0.506 29.420 28.738 0.293 0.000 1.219 193 Q HN 0.391 nan 8.270 nan 0.000 0.432 194 V N -1.847 118.153 119.914 0.143 0.000 3.235 194 V HA 0.046 4.115 4.120 -0.085 0.000 0.259 194 V C 1.920 178.068 176.094 0.091 0.000 1.133 194 V CA 1.486 63.847 62.300 0.101 0.000 1.128 194 V CB -0.100 31.762 31.823 0.065 0.000 0.757 194 V HN 0.215 nan 8.190 nan 0.000 0.469 195 S N 0.090 115.850 115.700 0.100 0.000 2.496 195 S HA -0.031 4.388 4.470 -0.085 0.000 0.224 195 S C 1.280 175.932 174.600 0.087 0.000 0.996 195 S CA 0.646 58.889 58.200 0.072 0.000 0.927 195 S CB -1.032 62.195 63.200 0.045 0.000 0.774 195 S HN 0.839 nan 8.310 nan 0.000 0.524 196 N N 1.178 119.969 118.700 0.151 0.000 2.738 196 N HA -0.209 4.480 4.740 -0.085 0.000 0.249 196 N C -0.308 175.292 175.510 0.150 0.000 1.047 196 N CA 0.549 53.707 53.050 0.181 0.000 0.707 196 N CB -1.186 37.362 38.487 0.100 0.000 0.937 196 N HN 0.814 nan 8.380 nan 0.000 0.545 197 S N -2.183 113.562 115.700 0.076 0.000 2.688 197 S HA 0.547 4.966 4.470 -0.085 0.000 0.275 197 S C -2.589 171.667 174.600 -0.574 0.000 1.175 197 S CA -0.911 57.186 58.200 -0.172 0.000 0.818 197 S CB 1.930 65.063 63.200 -0.112 0.000 1.157 197 S HN -0.160 nan 8.310 nan 0.000 0.482 198 P HA 0.027 nan 4.420 nan 0.000 0.224 198 P C 1.126 178.180 177.300 -0.410 0.000 1.142 198 P CA 0.908 63.305 63.100 -1.172 0.000 0.778 198 P CB -0.138 31.135 31.700 -0.712 0.000 0.764 199 L N -1.650 119.440 121.223 -0.222 0.000 2.291 199 L HA -0.031 4.258 4.340 -0.085 0.000 0.214 199 L C 0.622 177.477 176.870 -0.025 0.000 1.120 199 L CA 0.556 55.353 54.840 -0.071 0.000 0.799 199 L CB -0.663 41.377 42.059 -0.032 0.000 0.925 199 L HN -0.038 nan 8.230 nan 0.000 0.446 200 D N -0.606 119.784 120.400 -0.016 0.000 2.399 200 D HA -0.069 4.520 4.640 -0.085 0.000 0.241 200 D C 1.080 177.367 176.300 -0.022 0.000 1.133 200 D CA 0.238 54.251 54.000 0.021 0.000 0.890 200 D CB 1.598 42.454 40.800 0.093 0.000 1.201 200 D HN -0.171 nan 8.370 nan 0.000 0.432 201 S N 0.589 116.265 115.700 -0.041 0.000 2.447 201 S HA -0.108 4.311 4.470 -0.085 0.000 0.233 201 S C 1.440 175.993 174.600 -0.078 0.000 1.006 201 S CA 0.780 58.962 58.200 -0.030 0.000 0.957 201 S CB 0.139 63.315 63.200 -0.040 0.000 0.773 201 S HN 0.352 nan 8.310 nan 0.000 0.507 202 S N -0.016 115.510 115.700 -0.291 0.000 2.556 202 S HA 0.262 4.681 4.470 -0.085 0.000 0.216 202 S C -0.158 174.356 174.600 -0.145 0.000 0.970 202 S CA -0.485 57.491 58.200 -0.374 0.000 0.912 202 S CB -0.072 62.645 63.200 -0.804 0.000 0.790 202 S HN 0.629 nan 8.310 nan 0.000 0.504 203 Y N 2.087 122.269 120.300 -0.197 0.000 2.319 203 Y HA 0.507 5.095 4.550 0.063 0.000 0.328 203 Y C -0.478 175.318 175.900 -0.172 0.000 1.133 203 Y CA -0.447 57.546 58.100 -0.178 0.000 1.265 203 Y CB 0.381 38.703 38.460 -0.231 0.000 1.218 203 Y HN 0.044 nan 8.280 nan 0.000 0.508 204 L N 7.008 127.946 121.223 -0.475 0.000 2.409 204 L HA 0.356 4.645 4.340 -0.085 0.000 0.272 204 L C -1.046 175.559 176.870 -0.442 0.000 0.980 204 L CA -0.935 53.689 54.840 -0.361 0.000 0.826 204 L CB 1.400 43.257 42.059 -0.338 0.000 1.268 204 L HN 0.538 nan 8.230 nan 0.000 0.407 205 F N 3.678 123.622 119.950 -0.010 0.000 2.572 205 F HA 0.060 4.527 4.527 -0.099 0.000 0.370 205 F C 1.355 177.125 175.800 -0.051 0.000 1.103 205 F CA 0.580 58.613 58.000 0.054 0.000 1.286 205 F CB 0.166 39.226 39.000 0.099 0.000 1.105 205 F HN 0.636 nan 8.300 nan 0.000 0.583 206 N N -0.634 118.142 118.700 0.126 0.000 2.955 206 N HA -0.155 4.534 4.740 -0.085 0.000 0.230 206 N C 0.245 175.732 175.510 -0.038 0.000 0.891 206 N CA 1.015 54.092 53.050 0.046 0.000 1.002 206 N CB -1.447 37.072 38.487 0.052 0.000 1.063 206 N HN 0.803 nan 8.380 nan 0.000 0.601 207 G N 0.294 109.017 108.800 -0.127 0.000 2.504 207 G HA2 0.438 4.347 3.960 -0.085 0.000 0.288 207 G HA3 0.438 4.347 3.960 -0.085 0.000 0.288 207 G C 0.081 174.891 174.900 -0.150 0.000 1.182 207 G CA -0.291 44.718 45.100 -0.151 0.000 0.894 207 G HN 0.096 nan 8.290 nan 0.000 0.521 208 K N 1.315 121.657 120.400 -0.096 0.000 2.150 208 K HA 0.104 4.373 4.320 -0.085 0.000 0.261 208 K C -0.161 176.411 176.600 -0.047 0.000 1.127 208 K CA -0.344 55.913 56.287 -0.049 0.000 0.989 208 K CB -0.611 31.880 32.500 -0.014 0.000 1.475 208 K HN 0.376 nan 8.250 nan 0.000 0.391 209 N N 3.549 122.207 118.700 -0.069 0.000 2.406 209 N HA 0.117 4.806 4.740 -0.085 0.000 0.251 209 N C -1.062 174.542 175.510 0.156 0.000 1.069 209 N CA -0.307 52.758 53.050 0.026 0.000 0.947 209 N CB 1.525 39.928 38.487 -0.139 0.000 1.111 209 N HN 0.099 nan 8.380 nan 0.000 0.497 210 V N 2.702 122.722 119.914 0.177 0.000 2.304 210 V HA 0.168 4.237 4.120 -0.085 0.000 0.278 210 V C 0.369 176.435 176.094 -0.047 0.000 1.018 210 V CA -0.720 61.638 62.300 0.096 0.000 0.814 210 V CB 1.317 33.160 31.823 0.033 0.000 1.021 210 V HN 0.558 nan 8.190 nan 0.000 0.440 211 Q N 3.084 122.740 119.800 -0.241 0.000 2.288 211 Q HA 0.450 4.739 4.340 -0.085 0.000 0.258 211 Q C 1.267 177.173 176.000 -0.157 0.000 0.957 211 Q CA 0.217 55.672 55.803 -0.580 0.000 0.919 211 Q CB 1.779 30.184 28.738 -0.554 0.000 1.185 211 Q HN 0.847 nan 8.270 nan 0.000 0.408 212 A N 3.958 126.750 122.820 -0.046 0.000 1.892 212 A HA -0.294 3.975 4.320 -0.085 0.000 0.218 212 A C 1.673 179.196 177.584 -0.102 0.000 1.188 212 A CA 1.922 53.981 52.037 0.037 0.000 0.631 212 A CB -0.309 18.849 19.000 0.264 0.000 0.822 212 A HN 0.857 nan 8.150 nan 0.000 0.447 213 Q N -0.449 119.348 119.800 -0.005 0.000 2.291 213 Q HA 0.113 4.402 4.340 -0.085 0.000 0.206 213 Q C 2.093 178.070 176.000 -0.038 0.000 0.976 213 Q CA 1.339 57.143 55.803 0.001 0.000 0.875 213 Q CB -0.599 28.157 28.738 0.030 0.000 0.927 213 Q HN 0.684 nan 8.270 nan 0.000 0.450 214 A N -0.479 122.318 122.820 -0.038 0.000 2.066 214 A HA -0.047 4.222 4.320 -0.085 0.000 0.218 214 A C 1.926 179.510 177.584 0.000 0.000 1.157 214 A CA 1.169 53.203 52.037 -0.006 0.000 0.670 214 A CB 0.017 19.026 19.000 0.014 0.000 0.804 214 A HN 0.236 nan 8.150 nan 0.000 0.453 215 V N -2.515 117.379 119.914 -0.032 0.000 2.922 215 V HA -0.078 3.991 4.120 -0.085 0.000 0.242 215 V C 1.868 177.868 176.094 -0.155 0.000 1.094 215 V CA 1.267 63.557 62.300 -0.016 0.000 1.106 215 V CB 0.033 31.935 31.823 0.132 0.000 0.799 215 V HN 0.587 nan 8.190 nan 0.000 0.474 216 c N 0.538 118.936 118.600 -0.337 0.000 2.926 216 c HA 0.653 5.172 4.570 -0.085 0.000 0.272 216 c C 1.309 175.286 174.090 -0.188 0.000 1.249 216 c CA -0.029 56.030 56.329 -0.451 0.000 1.691 216 c CB -1.084 40.737 42.510 -1.149 0.000 1.983 216 c HN 0.803 nan 8.230 nan 0.000 0.615 217 G N 1.927 110.672 108.800 -0.091 0.000 2.663 217 G HA2 -0.098 3.811 3.960 -0.085 0.000 0.686 217 G HA3 -0.098 3.811 3.960 -0.085 0.000 0.686 217 G C -2.013 172.902 174.900 0.025 0.000 1.288 217 G CA -0.106 44.982 45.100 -0.020 0.000 0.836 217 G HN -0.022 nan 8.290 nan 0.000 0.584 218 P HA 0.049 nan 4.420 nan 0.000 0.233 218 P C 1.750 179.075 177.300 0.041 0.000 1.167 218 P CA 0.815 63.935 63.100 0.033 0.000 0.770 218 P CB 0.090 31.803 31.700 0.021 0.000 0.837 219 L N -2.345 118.910 121.223 0.053 0.000 2.509 219 L HA 0.174 4.463 4.340 -0.085 0.000 0.222 219 L C 1.147 178.066 176.870 0.083 0.000 1.123 219 L CA -0.198 54.672 54.840 0.050 0.000 0.856 219 L CB -0.520 41.565 42.059 0.043 0.000 0.985 219 L HN -0.118 nan 8.230 nan 0.000 0.456 220 F N 1.802 121.711 119.950 -0.068 0.000 2.472 220 F HA 0.278 4.752 4.527 -0.089 0.000 0.364 220 F C -0.136 175.622 175.800 -0.069 0.000 1.090 220 F CA -0.368 57.578 58.000 -0.091 0.000 1.188 220 F CB 0.609 39.512 39.000 -0.162 0.000 1.105 220 F HN -0.386 nan 8.300 nan 0.000 0.536 221 V N 8.470 128.068 119.914 -0.528 0.000 2.443 221 V HA 0.465 4.534 4.120 -0.085 0.000 0.293 221 V C -0.292 175.494 176.094 -0.513 0.000 1.021 221 V CA -0.718 61.352 62.300 -0.383 0.000 0.848 221 V CB 1.398 33.106 31.823 -0.191 0.000 0.998 221 V HN 0.625 nan 8.190 nan 0.000 0.424 222 I N 1.378 121.729 120.570 -0.365 0.000 2.619 222 I HA 0.747 4.866 4.170 -0.085 0.000 0.292 222 I C -0.411 175.677 176.117 -0.048 0.000 1.100 222 I CA -0.730 60.436 61.300 -0.224 0.000 1.043 222 I CB 2.268 40.150 38.000 -0.197 0.000 1.239 222 I HN 0.585 nan 8.210 nan 0.000 0.420 223 D N 3.229 123.629 120.400 -0.002 0.000 2.453 223 D HA 0.065 4.654 4.640 -0.085 0.000 0.282 223 D C 1.002 177.413 176.300 0.186 0.000 1.222 223 D CA 0.201 54.251 54.000 0.082 0.000 1.079 223 D CB 0.107 40.948 40.800 0.069 0.000 1.128 223 D HN 0.772 nan 8.370 nan 0.000 0.568 224 H N -0.959 118.194 119.070 0.138 0.000 2.353 224 H HA 0.046 4.550 4.556 -0.087 0.000 0.300 224 H C 1.874 177.441 175.328 0.399 0.000 1.090 224 H CA 2.751 58.953 56.048 0.257 0.000 1.327 224 H CB -0.404 29.482 29.762 0.207 0.000 1.383 224 H HN 0.441 nan 8.280 nan 0.000 0.508 225 A N -0.511 122.462 122.820 0.255 0.000 1.930 225 A HA 0.051 4.320 4.320 -0.085 0.000 0.215 225 A C 2.645 180.144 177.584 -0.141 0.000 1.176 225 A CA 1.095 53.121 52.037 -0.019 0.000 0.632 225 A CB -1.038 17.943 19.000 -0.032 0.000 0.819 225 A HN 0.552 nan 8.150 nan 0.000 0.445 226 G N -0.727 108.055 108.800 -0.031 0.000 2.471 226 G HA2 -0.078 3.831 3.960 -0.085 0.000 0.219 226 G HA3 -0.078 3.831 3.960 -0.085 0.000 0.219 226 G C 1.629 176.540 174.900 0.019 0.000 1.125 226 G CA 1.154 46.232 45.100 -0.037 0.000 0.775 226 G HN 0.461 nan 8.290 nan 0.000 0.548 227 S N -0.138 115.612 115.700 0.084 0.000 2.419 227 S HA -0.060 4.359 4.470 -0.085 0.000 0.233 227 S C 2.009 176.668 174.600 0.098 0.000 1.016 227 S CA 0.955 59.275 58.200 0.199 0.000 0.974 227 S CB -0.051 63.328 63.200 0.299 0.000 0.786 227 S HN 0.308 nan 8.310 nan 0.000 0.492 228 L N 1.407 122.522 121.223 -0.179 0.000 2.200 228 L HA 0.096 4.385 4.340 -0.085 0.000 0.200 228 L C 2.354 179.026 176.870 -0.331 0.000 1.072 228 L CA 1.751 56.294 54.840 -0.494 0.000 0.787 228 L CB -0.806 40.751 42.059 -0.837 0.000 0.957 228 L HN 0.373 nan 8.230 nan 0.000 0.459 229 T N -3.027 111.367 114.554 -0.267 0.000 3.057 229 T HA 0.125 4.424 4.350 -0.085 0.000 0.254 229 T C 1.092 175.714 174.700 -0.130 0.000 1.094 229 T CA 0.334 62.298 62.100 -0.227 0.000 1.088 229 T CB -0.742 67.976 68.868 -0.249 0.000 0.934 229 T HN 0.445 nan 8.240 nan 0.000 0.497 230 S N 1.120 116.802 115.700 -0.030 0.000 2.580 230 S HA 0.090 4.509 4.470 -0.085 0.000 0.266 230 S C 1.299 175.966 174.600 0.112 0.000 1.354 230 S CA -0.193 58.046 58.200 0.066 0.000 1.008 230 S CB 1.078 64.388 63.200 0.184 0.000 0.898 230 S HN 0.312 nan 8.310 nan 0.000 0.555 231 Q N 0.827 120.711 119.800 0.140 0.000 2.167 231 Q HA -0.063 4.226 4.340 -0.085 0.000 0.202 231 Q C 1.537 177.696 176.000 0.266 0.000 0.970 231 Q CA 1.800 57.699 55.803 0.160 0.000 0.855 231 Q CB -0.664 28.147 28.738 0.122 0.000 0.911 231 Q HN 0.838 nan 8.270 nan 0.000 0.438 232 F N 0.217 120.271 119.950 0.174 0.000 2.134 232 F HA -0.135 4.339 4.527 -0.089 0.000 0.299 232 F C 2.032 177.922 175.800 0.150 0.000 1.097 232 F CA 1.819 59.903 58.000 0.140 0.000 1.264 232 F CB -0.570 38.527 39.000 0.162 0.000 1.001 232 F HN 0.048 nan 8.300 nan 0.000 0.479 233 S N -0.696 115.094 115.700 0.149 0.000 2.382 233 S HA -0.237 4.182 4.470 -0.085 0.000 0.228 233 S C 1.770 176.533 174.600 0.270 0.000 1.027 233 S CA 1.260 59.560 58.200 0.167 0.000 0.991 233 S CB -0.874 62.443 63.200 0.194 0.000 0.823 233 S HN 0.655 nan 8.310 nan 0.000 0.469 234 Y N 2.529 122.906 120.300 0.128 0.000 2.181 234 Y HA -0.144 4.356 4.550 -0.085 0.000 0.288 234 Y C 2.125 178.126 175.900 0.168 0.000 1.146 234 Y CA 1.079 59.275 58.100 0.160 0.000 1.164 234 Y CB -0.562 37.840 38.460 -0.096 0.000 0.982 234 Y HN 0.033 nan 8.280 nan 0.000 0.515 235 V N -0.799 119.084 119.914 -0.051 0.000 2.407 235 V HA -0.284 3.785 4.120 -0.085 0.000 0.248 235 V C 2.309 178.300 176.094 -0.172 0.000 1.055 235 V CA 1.674 63.895 62.300 -0.130 0.000 1.049 235 V CB -0.807 31.014 31.823 -0.004 0.000 0.662 235 V HN 0.363 nan 8.190 nan 0.000 0.455 236 V N 0.889 120.621 119.914 -0.305 0.000 2.323 236 V HA -0.089 3.980 4.120 -0.085 0.000 0.244 236 V C 2.669 178.691 176.094 -0.119 0.000 1.041 236 V CA 2.038 64.128 62.300 -0.351 0.000 1.025 236 V CB -1.346 30.105 31.823 -0.620 0.000 0.656 236 V HN 0.579 nan 8.190 nan 0.000 0.451 237 G N -0.225 108.602 108.800 0.044 0.000 2.440 237 G HA2 -0.311 3.598 3.960 -0.085 0.000 0.218 237 G HA3 -0.311 3.598 3.960 -0.085 0.000 0.218 237 G C 1.720 176.624 174.900 0.007 0.000 1.154 237 G CA 1.030 46.170 45.100 0.066 0.000 0.767 237 G HN 0.429 nan 8.290 nan 0.000 0.552 238 R N 0.248 120.735 120.500 -0.021 0.000 2.081 238 R HA -0.069 4.220 4.340 -0.085 0.000 0.235 238 R C 2.733 179.020 176.300 -0.021 0.000 1.131 238 R CA 1.737 57.791 56.100 -0.077 0.000 0.960 238 R CB -0.474 29.616 30.300 -0.350 0.000 0.856 238 R HN 0.363 nan 8.270 nan 0.000 0.436 239 S N -0.192 115.497 115.700 -0.017 0.000 2.368 239 S HA -0.145 4.274 4.470 -0.085 0.000 0.225 239 S C 1.980 176.593 174.600 0.022 0.000 1.030 239 S CA 1.315 59.535 58.200 0.033 0.000 0.999 239 S CB -0.250 63.019 63.200 0.116 0.000 0.844 239 S HN 0.538 nan 8.310 nan 0.000 0.459 240 A N 1.190 124.004 122.820 -0.011 0.000 1.933 240 A HA 0.079 4.348 4.320 -0.085 0.000 0.218 240 A C 2.198 179.768 177.584 -0.025 0.000 1.175 240 A CA 1.385 53.400 52.037 -0.037 0.000 0.628 240 A CB -0.685 18.249 19.000 -0.109 0.000 0.814 240 A HN 0.595 nan 8.150 nan 0.000 0.444 241 L N -1.542 119.676 121.223 -0.009 0.000 2.240 241 L HA -0.062 4.227 4.340 -0.085 0.000 0.211 241 L C 2.672 179.604 176.870 0.102 0.000 1.106 241 L CA 0.931 55.798 54.840 0.045 0.000 0.793 241 L CB -0.312 41.793 42.059 0.076 0.000 0.927 241 L HN 0.333 nan 8.230 nan 0.000 0.446 242 R N -0.910 119.635 120.500 0.075 0.000 2.223 242 R HA 0.082 4.371 4.340 -0.085 0.000 0.198 242 R C 1.147 177.472 176.300 0.043 0.000 0.984 242 R CA -0.070 56.071 56.100 0.068 0.000 1.018 242 R CB 0.151 30.485 30.300 0.056 0.000 0.945 242 R HN 0.074 nan 8.270 nan 0.000 0.479 243 S N 0.937 116.656 115.700 0.032 0.000 2.552 243 S HA -0.045 4.375 4.470 -0.085 0.000 0.289 243 S C 1.427 176.038 174.600 0.019 0.000 1.304 243 S CA -0.014 58.198 58.200 0.020 0.000 1.063 243 S CB 1.006 64.214 63.200 0.014 0.000 0.848 243 S HN 0.418 nan 8.310 nan 0.000 0.499 244 T N 0.758 115.321 114.554 0.014 0.000 3.085 244 T HA -0.042 4.257 4.350 -0.085 0.000 0.263 244 T C 1.614 176.319 174.700 0.009 0.000 1.127 244 T CA 1.056 63.163 62.100 0.012 0.000 1.103 244 T CB -0.638 68.235 68.868 0.009 0.000 0.921 244 T HN 0.747 nan 8.240 nan 0.000 0.510 245 T N -2.412 112.146 114.554 0.006 0.000 3.065 245 T HA 0.462 4.761 4.350 -0.085 0.000 0.252 245 T C 2.000 176.699 174.700 -0.001 0.000 1.099 245 T CA 0.576 62.677 62.100 0.002 0.000 1.063 245 T CB -0.332 68.536 68.868 0.000 0.000 0.948 245 T HN 0.787 nan 8.240 nan 0.000 0.506 246 G N 0.662 109.462 108.800 0.001 0.000 2.176 246 G HA2 -0.212 3.697 3.960 -0.085 0.000 0.253 246 G HA3 -0.212 3.697 3.960 -0.085 0.000 0.253 246 G C -0.174 174.714 174.900 -0.020 0.000 0.979 246 G CA 0.151 45.247 45.100 -0.007 0.000 0.641 246 G HN 0.694 nan 8.290 nan 0.000 0.530 247 Q N -0.325 119.467 119.800 -0.014 0.000 2.433 247 Q HA 0.728 5.017 4.340 -0.085 0.000 0.279 247 Q C 0.250 176.253 176.000 0.004 0.000 1.105 247 Q CA -0.434 55.359 55.803 -0.018 0.000 0.815 247 Q CB 2.062 30.791 28.738 -0.015 0.000 1.403 247 Q HN 0.790 nan 8.270 nan 0.000 0.435 248 A N 1.550 124.380 122.820 0.016 0.000 2.483 248 A HA 0.209 4.478 4.320 -0.085 0.000 0.238 248 A C -0.403 177.246 177.584 0.109 0.000 1.070 248 A CA 0.250 52.337 52.037 0.085 0.000 0.770 248 A CB 0.210 19.281 19.000 0.119 0.000 1.008 248 A HN 0.596 nan 8.150 nan 0.000 0.497 249 R N 2.159 122.713 120.500 0.090 0.000 2.393 249 R HA 0.333 4.622 4.340 -0.085 0.000 0.310 249 R C 0.742 176.892 176.300 -0.249 0.000 0.968 249 R CA -0.405 55.678 56.100 -0.029 0.000 0.867 249 R CB 1.508 31.784 30.300 -0.041 0.000 1.124 249 R HN 0.771 nan 8.270 nan 0.000 0.450 250 S N 1.902 117.416 115.700 -0.311 0.000 2.419 250 S HA -0.189 4.230 4.470 -0.085 0.000 0.235 250 S C 1.666 175.910 174.600 -0.594 0.000 1.019 250 S CA 1.594 59.423 58.200 -0.619 0.000 0.982 250 S CB 0.032 63.082 63.200 -0.250 0.000 0.789 250 S HN 0.773 nan 8.310 nan 0.000 0.490 251 A N 0.771 123.398 122.820 -0.321 0.000 2.235 251 A HA 0.040 4.309 4.320 -0.085 0.000 0.208 251 A C 1.075 178.548 177.584 -0.185 0.000 1.172 251 A CA 0.599 52.513 52.037 -0.206 0.000 0.786 251 A CB -0.091 18.841 19.000 -0.113 0.000 0.804 251 A HN 0.247 nan 8.150 nan 0.000 0.479 252 D N -1.821 118.421 120.400 -0.263 0.000 2.389 252 D HA 0.219 4.809 4.640 -0.085 0.000 0.206 252 D C -0.184 176.130 176.300 0.024 0.000 1.055 252 D CA 0.568 54.520 54.000 -0.081 0.000 0.856 252 D CB 0.236 41.048 40.800 0.019 0.000 0.957 252 D HN 0.661 nan 8.370 nan 0.000 0.509 253 Y N -1.907 118.397 120.300 0.007 0.000 2.588 253 Y HA 0.752 5.249 4.550 -0.087 0.000 0.343 253 Y C 0.180 176.118 175.900 0.063 0.000 1.065 253 Y CA -1.432 56.685 58.100 0.029 0.000 1.038 253 Y CB 1.219 39.671 38.460 -0.013 0.000 1.297 253 Y HN -0.154 nan 8.280 nan 0.000 0.467 254 G N 0.506 109.480 108.800 0.290 0.000 2.664 254 G HA2 0.311 4.220 3.960 -0.085 0.000 0.303 254 G HA3 0.311 4.220 3.960 -0.085 0.000 0.303 254 G C -0.170 174.820 174.900 0.150 0.000 1.243 254 G CA -0.590 44.618 45.100 0.180 0.000 0.826 254 G HN 0.745 nan 8.290 nan 0.000 0.498 255 I N 1.093 121.699 120.570 0.060 0.000 2.286 255 I HA -0.132 3.987 4.170 -0.085 0.000 0.248 255 I C 3.052 179.175 176.117 0.010 0.000 1.115 255 I CA 2.116 63.416 61.300 -0.001 0.000 1.392 255 I CB -0.396 37.599 38.000 -0.009 0.000 1.065 255 I HN 0.598 nan 8.210 nan 0.000 0.418 256 T N -2.748 111.834 114.554 0.046 0.000 3.051 256 T HA -0.111 4.188 4.350 -0.085 0.000 0.269 256 T C 1.224 175.976 174.700 0.087 0.000 1.127 256 T CA 0.968 63.100 62.100 0.054 0.000 1.107 256 T CB -0.342 68.558 68.868 0.054 0.000 0.898 256 T HN 0.312 nan 8.240 nan 0.000 0.517 257 D N 0.269 120.750 120.400 0.135 0.000 2.339 257 D HA 0.115 4.704 4.640 -0.085 0.000 0.217 257 D C 0.079 176.536 176.300 0.262 0.000 1.050 257 D CA 0.040 54.171 54.000 0.218 0.000 0.856 257 D CB -0.093 40.877 40.800 0.284 0.000 0.922 257 D HN 0.435 nan 8.370 nan 0.000 0.518 258 c N 2.681 121.302 118.600 0.036 0.000 2.896 258 c HA 0.141 4.660 4.570 -0.085 0.000 0.499 258 c C 0.759 174.880 174.090 0.051 0.000 1.022 258 c CA -0.919 55.223 56.329 -0.311 0.000 1.127 258 c CB -2.316 39.816 42.510 -0.630 0.000 1.452 258 c HN 0.121 nan 8.230 nan 0.000 0.580 259 N N 2.731 121.589 118.700 0.262 0.000 2.476 259 N HA 0.282 4.971 4.740 -0.085 0.000 0.257 259 N C -1.259 174.474 175.510 0.372 0.000 0.970 259 N CA -2.184 51.039 53.050 0.288 0.000 0.938 259 N CB 1.808 40.401 38.487 0.178 0.000 1.144 259 N HN 0.168 nan 8.380 nan 0.000 0.500 260 P HA -0.016 nan 4.420 nan 0.000 0.233 260 P C 0.237 177.545 177.300 0.014 0.000 1.167 260 P CA 0.504 63.622 63.100 0.031 0.000 0.770 260 P CB 0.614 32.185 31.700 -0.214 0.000 0.837 261 L N 0.665 121.911 121.223 0.038 0.000 2.436 261 L HA 0.284 4.573 4.340 -0.085 0.000 0.265 261 L C -1.978 174.884 176.870 -0.013 0.000 1.168 261 L CA -2.396 52.442 54.840 -0.004 0.000 0.815 261 L CB -0.558 41.498 42.059 -0.005 0.000 1.109 261 L HN -0.249 nan 8.230 nan 0.000 0.462 262 P HA -0.068 nan 4.420 nan 0.000 0.266 262 P C -0.677 176.556 177.300 -0.112 0.000 1.186 262 P CA -0.087 62.954 63.100 -0.098 0.000 0.767 262 P CB 0.406 32.034 31.700 -0.119 0.000 0.820 263 A N 2.960 125.679 122.820 -0.169 0.000 2.587 263 A HA -0.119 4.150 4.320 -0.085 0.000 0.235 263 A C 1.304 178.735 177.584 -0.255 0.000 1.044 263 A CA 0.461 52.352 52.037 -0.242 0.000 0.754 263 A CB -0.790 17.952 19.000 -0.431 0.000 0.968 263 A HN 0.647 nan 8.150 nan 0.000 0.509 264 N N 1.176 119.736 118.700 -0.232 0.000 2.223 264 N HA -0.140 4.549 4.740 -0.085 0.000 0.185 264 N C 0.242 175.619 175.510 -0.223 0.000 1.016 264 N CA 1.214 54.155 53.050 -0.181 0.000 0.863 264 N CB -0.030 38.383 38.487 -0.123 0.000 0.983 264 N HN 0.712 nan 8.380 nan 0.000 0.429 265 D N 0.652 120.842 120.400 -0.349 0.000 2.371 265 D HA 0.026 4.615 4.640 -0.085 0.000 0.221 265 D C 0.341 176.491 176.300 -0.250 0.000 0.986 265 D CA 0.443 54.259 54.000 -0.308 0.000 0.899 265 D CB 0.040 40.585 40.800 -0.424 0.000 0.902 265 D HN 0.281 nan 8.370 nan 0.000 0.530 266 L N 0.789 121.860 121.223 -0.254 0.000 2.418 266 L HA 0.179 4.468 4.340 -0.085 0.000 0.265 266 L C 1.239 178.024 176.870 -0.142 0.000 1.143 266 L CA -0.547 54.172 54.840 -0.201 0.000 0.809 266 L CB 0.856 42.786 42.059 -0.215 0.000 1.124 266 L HN -0.065 nan 8.230 nan 0.000 0.456 267 T N -1.511 112.974 114.554 -0.115 0.000 2.868 267 T HA 0.192 4.491 4.350 -0.085 0.000 0.292 267 T C -1.889 172.761 174.700 -0.084 0.000 1.028 267 T CA -1.585 60.462 62.100 -0.087 0.000 1.059 267 T CB 1.183 70.009 68.868 -0.070 0.000 0.991 267 T HN 0.349 nan 8.240 nan 0.000 0.531 268 P HA -0.144 nan 4.420 nan 0.000 0.216 268 P C 1.474 178.736 177.300 -0.063 0.000 1.153 268 P CA 1.212 64.274 63.100 -0.062 0.000 0.858 268 P CB 0.070 31.740 31.700 -0.050 0.000 0.789 269 E N -0.264 119.900 120.200 -0.059 0.000 2.077 269 E HA -0.251 4.049 4.350 -0.085 0.000 0.193 269 E C 1.961 178.519 176.600 -0.071 0.000 0.989 269 E CA 1.173 57.538 56.400 -0.058 0.000 0.800 269 E CB -0.216 29.455 29.700 -0.049 0.000 0.746 269 E HN 0.302 nan 8.360 nan 0.000 0.452 270 Q N 0.007 119.757 119.800 -0.083 0.000 2.172 270 Q HA -0.088 4.201 4.340 -0.085 0.000 0.200 270 Q C 2.077 178.008 176.000 -0.116 0.000 0.964 270 Q CA 1.041 56.783 55.803 -0.102 0.000 0.855 270 Q CB 0.105 28.773 28.738 -0.116 0.000 0.918 270 Q HN 0.147 nan 8.270 nan 0.000 0.444 271 K N -0.012 120.322 120.400 -0.109 0.000 2.148 271 K HA -0.097 4.172 4.320 -0.085 0.000 0.204 271 K C 1.989 178.532 176.600 -0.096 0.000 1.050 271 K CA 1.087 57.308 56.287 -0.110 0.000 0.942 271 K CB 0.073 32.515 32.500 -0.097 0.000 0.724 271 K HN 0.043 nan 8.250 nan 0.000 0.446 272 V N 1.157 121.022 119.914 -0.083 0.000 2.379 272 V HA -0.195 3.874 4.120 -0.085 0.000 0.245 272 V C 2.318 178.365 176.094 -0.079 0.000 1.044 272 V CA 1.988 64.244 62.300 -0.072 0.000 1.036 272 V CB -0.543 31.244 31.823 -0.060 0.000 0.664 272 V HN 0.319 nan 8.190 nan 0.000 0.453 273 A N 0.017 122.786 122.820 -0.087 0.000 1.930 273 A HA -0.012 4.257 4.320 -0.085 0.000 0.217 273 A C 2.386 179.898 177.584 -0.118 0.000 1.175 273 A CA 1.763 53.745 52.037 -0.093 0.000 0.627 273 A CB -0.652 18.293 19.000 -0.092 0.000 0.815 273 A HN 0.543 nan 8.150 nan 0.000 0.443 274 A N -0.140 122.598 122.820 -0.137 0.000 1.972 274 A HA 0.199 4.469 4.320 -0.085 0.000 0.219 274 A C 2.399 179.890 177.584 -0.155 0.000 1.169 274 A CA 1.820 53.752 52.037 -0.174 0.000 0.635 274 A CB -0.782 18.105 19.000 -0.187 0.000 0.810 274 A HN 0.994 nan 8.150 nan 0.000 0.446 275 A N -0.696 122.054 122.820 -0.117 0.000 2.014 275 A HA 0.367 4.636 4.320 -0.085 0.000 0.218 275 A C 1.931 179.467 177.584 -0.079 0.000 1.163 275 A CA 1.442 53.423 52.037 -0.094 0.000 0.652 275 A CB -0.458 18.496 19.000 -0.077 0.000 0.808 275 A HN 1.078 nan 8.150 nan 0.000 0.449 276 A N -1.017 121.755 122.820 -0.080 0.000 2.577 276 A HA 0.484 4.753 4.320 -0.085 0.000 0.280 276 A C 1.370 178.915 177.584 -0.066 0.000 1.331 276 A CA -0.107 51.893 52.037 -0.062 0.000 0.935 276 A CB -0.456 18.510 19.000 -0.056 0.000 1.082 276 A HN 0.380 nan 8.150 nan 0.000 0.525 277 L N -0.948 120.218 121.223 -0.095 0.000 2.079 277 L HA -0.118 4.171 4.340 -0.085 0.000 0.210 277 L C 1.964 178.823 176.870 -0.019 0.000 1.081 277 L CA 1.668 56.438 54.840 -0.116 0.000 0.752 277 L CB -0.305 41.603 42.059 -0.251 0.000 0.896 277 L HN 0.423 nan 8.230 nan 0.000 0.433 278 L N -1.068 120.172 121.223 0.029 0.000 2.395 278 L HA 0.053 4.342 4.340 -0.085 0.000 0.218 278 L C 2.402 179.292 176.870 0.034 0.000 1.130 278 L CA 1.363 56.260 54.840 0.096 0.000 0.826 278 L CB -0.788 41.336 42.059 0.109 0.000 0.941 278 L HN 0.284 nan 8.230 nan 0.000 0.451 279 A N 0.475 123.293 122.820 -0.004 0.000 1.865 279 A HA -0.122 4.147 4.320 -0.085 0.000 0.217 279 A C 0.057 177.615 177.584 -0.042 0.000 1.191 279 A CA 1.857 53.879 52.037 -0.026 0.000 0.623 279 A CB -1.930 17.048 19.000 -0.035 0.000 0.826 279 A HN 0.371 nan 8.150 nan 0.000 0.444 280 P HA -0.094 nan 4.420 nan 0.000 0.215 280 P C 1.740 178.977 177.300 -0.105 0.000 1.153 280 P CA 1.854 64.903 63.100 -0.086 0.000 0.853 280 P CB -0.148 31.509 31.700 -0.072 0.000 0.788 281 A N 0.212 123.007 122.820 -0.041 0.000 1.883 281 A HA -0.168 4.101 4.320 -0.085 0.000 0.217 281 A C 2.356 179.903 177.584 -0.062 0.000 1.186 281 A CA 2.322 54.340 52.037 -0.032 0.000 0.624 281 A CB -1.659 17.371 19.000 0.051 0.000 0.822 281 A HN 0.202 nan 8.150 nan 0.000 0.444 282 A N -0.309 122.483 122.820 -0.046 0.000 1.933 282 A HA 0.159 4.428 4.320 -0.085 0.000 0.218 282 A C 2.494 180.033 177.584 -0.076 0.000 1.175 282 A CA 2.119 54.124 52.037 -0.053 0.000 0.628 282 A CB -0.962 18.015 19.000 -0.039 0.000 0.814 282 A HN 1.063 nan 8.150 nan 0.000 0.444 283 A N -0.117 122.646 122.820 -0.095 0.000 1.873 283 A HA 0.180 4.449 4.320 -0.085 0.000 0.215 283 A C 2.520 180.015 177.584 -0.148 0.000 1.186 283 A CA 2.049 54.018 52.037 -0.113 0.000 0.616 283 A CB -1.051 17.874 19.000 -0.125 0.000 0.823 283 A HN 1.053 nan 8.150 nan 0.000 0.442 284 A N -0.069 122.620 122.820 -0.219 0.000 1.902 284 A HA -0.089 4.180 4.320 -0.085 0.000 0.217 284 A C 2.123 179.630 177.584 -0.128 0.000 1.181 284 A CA 1.546 53.416 52.037 -0.278 0.000 0.623 284 A CB -0.613 18.118 19.000 -0.448 0.000 0.818 284 A HN 0.505 nan 8.150 nan 0.000 0.443 285 I N -0.424 120.090 120.570 -0.093 0.000 2.226 285 I HA -0.198 3.921 4.170 -0.085 0.000 0.245 285 I C 2.243 178.331 176.117 -0.048 0.000 1.100 285 I CA 1.085 62.352 61.300 -0.056 0.000 1.374 285 I CB -0.266 37.698 38.000 -0.060 0.000 1.057 285 I HN 0.148 nan 8.210 nan 0.000 0.413 286 V N 0.824 120.703 119.914 -0.057 0.000 2.515 286 V HA -0.175 3.894 4.120 -0.085 0.000 0.250 286 V C 2.257 178.330 176.094 -0.036 0.000 1.058 286 V CA 1.842 64.115 62.300 -0.045 0.000 1.064 286 V CB -0.649 31.145 31.823 -0.048 0.000 0.675 286 V HN 0.504 nan 8.190 nan 0.000 0.461 287 A N -0.385 122.408 122.820 -0.045 0.000 2.348 287 A HA 0.513 4.782 4.320 -0.085 0.000 0.224 287 A C 1.364 178.945 177.584 -0.006 0.000 1.227 287 A CA 0.609 52.629 52.037 -0.029 0.000 0.885 287 A CB -0.295 18.677 19.000 -0.045 0.000 0.933 287 A HN 0.484 nan 8.150 nan 0.000 0.506 288 G N 0.610 109.409 108.800 -0.002 0.000 2.563 288 G HA2 0.467 4.376 3.960 -0.085 0.000 0.283 288 G HA3 0.467 4.376 3.960 -0.085 0.000 0.283 288 G C -2.374 172.548 174.900 0.038 0.000 1.309 288 G CA -1.198 43.922 45.100 0.033 0.000 1.022 288 G HN 0.197 nan 8.290 nan 0.000 0.501 289 P HA 0.295 nan 4.420 nan 0.000 0.274 289 P C -1.098 176.239 177.300 0.062 0.000 1.231 289 P CA 0.017 63.148 63.100 0.053 0.000 0.790 289 P CB 1.118 32.852 31.700 0.056 0.000 0.951 290 K N 1.351 121.792 120.400 0.068 0.000 2.501 290 K HA 0.364 4.633 4.320 -0.085 0.000 0.252 290 K C -0.208 176.463 176.600 0.118 0.000 0.934 290 K CA -0.703 55.643 56.287 0.099 0.000 0.797 290 K CB 2.612 35.155 32.500 0.071 0.000 1.270 290 K HN 0.521 nan 8.250 nan 0.000 0.431 291 Q N 0.419 120.340 119.800 0.202 0.000 2.605 291 Q HA 0.378 4.667 4.340 -0.085 0.000 0.296 291 Q C -0.545 175.630 176.000 0.291 0.000 1.056 291 Q CA -0.975 54.919 55.803 0.151 0.000 0.778 291 Q CB 1.048 29.800 28.738 0.024 0.000 1.497 291 Q HN 0.551 nan 8.270 nan 0.000 0.443 292 N N -0.501 118.259 118.700 0.100 0.000 2.273 292 N HA 0.207 4.896 4.740 -0.085 0.000 0.231 292 N C -0.567 174.779 175.510 -0.274 0.000 1.134 292 N CA -0.105 53.044 53.050 0.165 0.000 0.856 292 N CB 0.221 38.769 38.487 0.101 0.000 1.068 292 N HN 0.733 nan 8.380 nan 0.000 0.510 293 c N -2.478 115.585 118.600 -0.895 0.000 3.239 293 c HA 0.565 5.084 4.570 -0.085 0.000 0.329 293 c C -0.385 172.755 174.090 -1.583 0.000 1.252 293 c CA -1.433 54.136 56.329 -1.266 0.000 1.323 293 c CB 1.040 43.221 42.510 -0.547 0.000 1.663 293 c HN 0.397 nan 8.230 nan 0.000 0.487 294 E N 2.049 121.546 120.200 -1.172 0.000 2.316 294 E HA 0.417 4.716 4.350 -0.085 0.000 0.275 294 E C -2.259 174.144 176.600 -0.327 0.000 1.029 294 E CA -1.223 54.838 56.400 -0.564 0.000 0.871 294 E CB 0.757 30.365 29.700 -0.154 0.000 1.022 294 E HN 0.498 nan 8.360 nan 0.000 0.418 295 P HA -0.078 nan 4.420 nan 0.000 0.266 295 P C -1.036 176.197 177.300 -0.112 0.000 1.193 295 P CA 0.235 63.252 63.100 -0.139 0.000 0.770 295 P CB 0.438 32.086 31.700 -0.086 0.000 0.836 296 D N 1.942 122.286 120.400 -0.094 0.000 2.399 296 D HA 0.068 4.657 4.640 -0.085 0.000 0.241 296 D C 0.563 176.819 176.300 -0.072 0.000 1.133 296 D CA 0.184 54.138 54.000 -0.077 0.000 0.890 296 D CB 0.477 41.239 40.800 -0.064 0.000 1.201 296 D HN 0.229 nan 8.370 nan 0.000 0.432 297 L N 1.554 122.736 121.223 -0.068 0.000 2.417 297 L HA 0.181 4.470 4.340 -0.085 0.000 0.268 297 L C 1.064 177.852 176.870 -0.135 0.000 1.158 297 L CA -0.340 54.447 54.840 -0.089 0.000 0.819 297 L CB 0.381 42.410 42.059 -0.049 0.000 1.112 297 L HN 0.193 nan 8.230 nan 0.000 0.458 298 M N 2.796 122.248 119.600 -0.247 0.000 2.241 298 M HA 0.134 4.563 4.480 -0.085 0.000 0.335 298 M C -1.329 174.766 176.300 -0.343 0.000 1.122 298 M CA -1.453 53.672 55.300 -0.292 0.000 1.164 298 M CB 0.759 33.143 32.600 -0.359 0.000 1.459 298 M HN 0.310 nan 8.290 nan 0.000 0.461 299 P HA -0.243 nan 4.420 nan 0.000 0.220 299 P C 0.871 178.152 177.300 -0.031 0.000 1.155 299 P CA 1.842 64.907 63.100 -0.058 0.000 0.880 299 P CB -0.333 31.376 31.700 0.016 0.000 0.790 300 Y N -2.119 118.176 120.300 -0.007 0.000 2.497 300 Y HA 0.215 4.713 4.550 -0.086 0.000 0.292 300 Y C 1.935 177.867 175.900 0.052 0.000 1.137 300 Y CA 0.707 58.808 58.100 0.003 0.000 1.285 300 Y CB -1.346 37.067 38.460 -0.079 0.000 0.991 300 Y HN -0.117 nan 8.280 nan 0.000 0.556 301 A N 0.392 123.029 122.820 -0.305 0.000 2.324 301 A HA 0.238 4.507 4.320 -0.085 0.000 0.220 301 A C 2.066 179.739 177.584 0.148 0.000 1.209 301 A CA -0.235 51.732 52.037 -0.118 0.000 0.918 301 A CB -0.189 18.494 19.000 -0.528 0.000 0.959 301 A HN 0.347 nan 8.150 nan 0.000 0.507 302 R N 0.449 120.960 120.500 0.019 0.000 2.091 302 R HA -0.128 4.161 4.340 -0.085 0.000 0.238 302 R C -0.924 175.394 176.300 0.030 0.000 1.136 302 R CA 1.920 58.034 56.100 0.024 0.000 0.959 302 R CB -1.465 28.821 30.300 -0.022 0.000 0.856 302 R HN 0.342 nan 8.270 nan 0.000 0.437 303 P HA -0.144 nan 4.420 nan 0.000 0.221 303 P C 0.368 177.493 177.300 -0.291 0.000 1.145 303 P CA 1.280 64.242 63.100 -0.230 0.000 0.795 303 P CB 0.011 31.461 31.700 -0.416 0.000 0.775 304 F N -1.709 118.289 119.950 0.080 0.000 2.727 304 F HA 0.366 4.842 4.527 -0.085 0.000 0.302 304 F C 1.399 177.259 175.800 0.100 0.000 1.097 304 F CA 0.036 58.098 58.000 0.104 0.000 1.330 304 F CB -0.005 39.099 39.000 0.173 0.000 1.084 304 F HN -0.149 nan 8.300 nan 0.000 0.578 305 A N -0.009 122.933 122.820 0.203 0.000 2.676 305 A HA 0.467 4.736 4.320 -0.085 0.000 0.258 305 A C -0.282 177.351 177.584 0.081 0.000 0.898 305 A CA -0.246 51.882 52.037 0.151 0.000 1.087 305 A CB -0.682 18.417 19.000 0.165 0.000 1.214 305 A HN -0.062 nan 8.150 nan 0.000 0.474 306 V N 0.466 120.410 119.914 0.050 0.000 2.599 306 V HA 0.439 4.508 4.120 -0.085 0.000 0.300 306 V C 1.626 177.736 176.094 0.026 0.000 1.034 306 V CA 1.689 64.001 62.300 0.021 0.000 1.115 306 V CB 0.417 32.237 31.823 -0.004 0.000 0.934 306 V HN 1.438 nan 8.190 nan 0.000 0.485 307 G N 3.623 112.434 108.800 0.019 0.000 2.259 307 G HA2 -0.176 3.733 3.960 -0.085 0.000 0.217 307 G HA3 -0.176 3.733 3.960 -0.085 0.000 0.217 307 G C 0.366 175.280 174.900 0.024 0.000 1.001 307 G CA -0.243 44.869 45.100 0.020 0.000 0.627 307 G HN 0.539 nan 8.290 nan 0.000 0.501 308 K N 0.527 120.947 120.400 0.033 0.000 2.149 308 K HA 0.512 4.781 4.320 -0.085 0.000 0.245 308 K C 0.433 177.044 176.600 0.017 0.000 1.024 308 K CA -0.342 55.967 56.287 0.035 0.000 0.899 308 K CB 0.722 33.253 32.500 0.052 0.000 1.038 308 K HN 0.482 nan 8.250 nan 0.000 0.496 309 R N 0.675 121.182 120.500 0.012 0.000 2.476 309 R HA 0.237 4.526 4.340 -0.085 0.000 0.305 309 R C -0.338 175.937 176.300 -0.042 0.000 0.965 309 R CA -0.182 55.910 56.100 -0.013 0.000 0.867 309 R CB 0.988 31.282 30.300 -0.010 0.000 1.176 309 R HN 0.889 nan 8.270 nan 0.000 0.447 310 T N -0.875 113.639 114.554 -0.066 0.000 2.797 310 T HA 0.210 4.509 4.350 -0.085 0.000 0.267 310 T C 1.343 175.955 174.700 -0.148 0.000 0.986 310 T CA -0.623 61.407 62.100 -0.116 0.000 0.999 310 T CB 0.536 69.348 68.868 -0.093 0.000 1.508 310 T HN 0.624 nan 8.240 nan 0.000 0.595 311 c N 0.786 119.281 118.600 -0.176 0.000 2.425 311 c HA 0.021 4.540 4.570 -0.085 0.000 0.277 311 c C 3.208 177.233 174.090 -0.109 0.000 1.280 311 c CA 1.186 57.413 56.329 -0.171 0.000 1.744 311 c CB -1.495 40.911 42.510 -0.174 0.000 1.989 311 c HN 0.906 nan 8.230 nan 0.000 0.491 312 S N -0.834 114.816 115.700 -0.084 0.000 2.496 312 S HA 0.394 4.813 4.470 -0.085 0.000 0.224 312 S C 0.936 175.506 174.600 -0.050 0.000 0.996 312 S CA 0.853 59.018 58.200 -0.059 0.000 0.927 312 S CB 0.072 63.243 63.200 -0.048 0.000 0.774 312 S HN 0.899 nan 8.310 nan 0.000 0.524 313 G N 1.051 109.819 108.800 -0.053 0.000 2.270 313 G HA2 0.021 3.930 3.960 -0.085 0.000 0.268 313 G HA3 0.021 3.930 3.960 -0.085 0.000 0.268 313 G C -1.194 173.687 174.900 -0.032 0.000 1.312 313 G CA -1.065 44.011 45.100 -0.040 0.000 1.050 313 G HN 0.062 nan 8.290 nan 0.000 0.474 314 I N 1.038 121.595 120.570 -0.021 0.000 2.752 314 I HA 0.244 4.363 4.170 -0.085 0.000 0.287 314 I C 1.166 177.275 176.117 -0.013 0.000 1.188 314 I CA -0.131 61.161 61.300 -0.013 0.000 1.427 314 I CB 0.787 38.782 38.000 -0.008 0.000 1.365 314 I HN 0.316 nan 8.210 nan 0.000 0.585 315 V N 6.163 126.073 119.914 -0.006 0.000 2.461 315 V HA 0.360 4.429 4.120 -0.085 0.000 0.275 315 V C 0.445 176.535 176.094 -0.007 0.000 1.047 315 V CA -0.311 61.986 62.300 -0.006 0.000 0.955 315 V CB 1.123 32.951 31.823 0.008 0.000 0.988 315 V HN 0.979 nan 8.190 nan 0.000 0.471 316 T N 3.385 117.930 114.554 -0.014 0.000 2.900 316 T HA 0.669 4.968 4.350 -0.085 0.000 0.295 316 T C -2.529 172.155 174.700 -0.026 0.000 1.044 316 T CA -1.792 60.296 62.100 -0.019 0.000 0.995 316 T CB 1.812 70.669 68.868 -0.018 0.000 1.072 316 T HN 0.402 nan 8.240 nan 0.000 0.473 317 P HA 0.000 nan 4.420 nan 0.000 0.216 317 P CA 0.000 63.072 63.100 -0.047 0.000 0.800 317 P CB 0.000 31.662 31.700 -0.064 0.000 0.726