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 3a4g_1_A DATA FIRST_RESID 9 DATA SEQUENCE EQHDLFSGTF WQNPHPAYAA LRAEDPVRKL ALPDGPVWLL TRYADVREAF DATA SEQUENCE VDPRLSKDWR HTLPEDQRAD MPATPTPMMI LMDPPDHTRL RKLVGRSFTV DATA SEQUENCE RRMNELEPRI TEIADGLLAG LPTDGPVDLM REYAFQIPVQ VICELLGVPA DATA SEQUENCE EDRDDFSAWS SVLVDDSPAD DKNAAMGKLH GYLSDLLERK RTEPDDALLS DATA SEQUENCE SLLAVSDEDG DRLSQEELVA MAMLLLIAGH ETTVNLIGNG VLALLTHPDQ DATA SEQUENCE RKLLAEDPSL ISSAVEEFLR FDSPVSQAPI RFTAEDVTYS GVTIPAGEMV DATA SEQUENCE MLGLAAANRD ADWMPEPDRL DITRDASGGV FFGHGIHFCL GAQLARLEGR DATA SEQUENCE VAIGRLFADR PELALAVGLD ELVYRESTLV RGLSRMPVTM GPRSA 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.457 176.600 -0.238 0.000 1.382 9 E CA 0.000 56.309 56.400 -0.151 0.000 0.976 9 E CB 0.000 29.613 29.700 -0.145 0.000 0.812 10 Q N 1.847 121.545 119.800 -0.169 0.000 2.307 10 Q HA 0.121 4.716 4.340 0.426 0.000 0.261 10 Q C -0.905 174.985 176.000 -0.183 0.000 1.051 10 Q CA -0.217 55.505 55.803 -0.134 0.000 0.911 10 Q CB 0.340 29.040 28.738 -0.064 0.000 1.227 10 Q HN 0.312 nan 8.270 nan 0.000 0.418 11 H N 3.042 122.088 119.070 -0.040 0.000 2.732 11 H HA 0.046 4.859 4.556 0.428 0.000 0.351 11 H C -0.412 174.874 175.328 -0.071 0.000 1.090 11 H CA -0.165 55.849 56.048 -0.055 0.000 1.431 11 H CB 0.778 30.503 29.762 -0.062 0.000 1.447 11 H HN 0.660 nan 8.280 nan 0.000 0.582 12 D N 2.571 122.993 120.400 0.038 0.000 2.423 12 D HA 0.094 4.990 4.640 0.426 0.000 0.238 12 D C 0.296 176.520 176.300 -0.128 0.000 1.142 12 D CA 0.238 54.211 54.000 -0.046 0.000 0.884 12 D CB 1.012 41.781 40.800 -0.052 0.000 1.199 12 D HN 0.283 nan 8.370 nan 0.000 0.438 13 L N 2.229 123.285 121.223 -0.280 0.000 2.349 13 L HA 0.273 4.868 4.340 0.426 0.000 0.278 13 L C -0.045 176.338 176.870 -0.812 0.000 0.996 13 L CA -0.894 53.549 54.840 -0.661 0.000 0.825 13 L CB 0.997 42.881 42.059 -0.292 0.000 1.243 13 L HN 0.399 nan 8.230 nan 0.000 0.412 14 F N 1.117 119.935 119.950 -1.888 0.000 3.090 14 F HA -0.297 4.477 4.527 0.411 0.000 0.282 14 F C 0.592 175.976 175.800 -0.694 0.000 0.923 14 F CA 0.974 58.083 58.000 -1.485 0.000 0.977 14 F CB -1.802 36.715 39.000 -0.805 0.000 0.954 14 F HN 0.662 nan 8.300 nan 0.000 0.695 15 S N -2.551 112.800 115.700 -0.582 0.000 2.615 15 S HA 0.734 5.460 4.470 0.426 0.000 0.268 15 S C 0.347 174.910 174.600 -0.062 0.000 1.146 15 S CA -0.196 57.977 58.200 -0.046 0.000 0.818 15 S CB 1.445 64.645 63.200 0.001 0.000 1.111 15 S HN 1.726 nan 8.310 nan 0.000 0.465 16 G N 1.892 110.767 108.800 0.124 0.000 2.651 16 G HA2 -0.401 3.814 3.960 0.426 0.000 0.315 16 G HA3 -0.401 3.814 3.960 0.426 0.000 0.315 16 G C 1.160 176.108 174.900 0.080 0.000 1.258 16 G CA 2.161 47.317 45.100 0.093 0.000 1.002 16 G HN 2.349 nan 8.290 nan 0.000 0.551 17 T N -1.501 113.066 114.554 0.021 0.000 3.007 17 T HA 0.124 4.729 4.350 0.426 0.000 0.270 17 T C 2.046 176.696 174.700 -0.082 0.000 1.107 17 T CA 1.795 63.895 62.100 -0.001 0.000 1.118 17 T CB -0.135 68.730 68.868 -0.005 0.000 0.889 17 T HN 0.739 nan 8.240 nan 0.000 0.506 18 F N 0.877 120.615 119.950 -0.354 0.000 2.134 18 F HA 0.026 4.801 4.527 0.414 0.000 0.299 18 F C 1.837 177.307 175.800 -0.550 0.000 1.097 18 F CA 1.000 58.634 58.000 -0.609 0.000 1.264 18 F CB -0.425 38.012 39.000 -0.938 0.000 1.001 18 F HN 0.163 nan 8.300 nan 0.000 0.479 19 W N 0.423 121.695 121.300 -0.048 0.000 2.363 19 W HA -0.176 4.735 4.660 0.417 0.000 0.296 19 W C 2.655 178.992 176.519 -0.303 0.000 1.212 19 W CA 1.168 58.445 57.345 -0.114 0.000 1.260 19 W CB -0.701 28.806 29.460 0.079 0.000 1.131 19 W HN 0.086 nan 8.180 nan 0.000 0.530 20 Q N -0.137 119.662 119.800 -0.003 0.000 2.172 20 Q HA -0.143 4.452 4.340 0.426 0.000 0.200 20 Q C 0.100 175.887 176.000 -0.354 0.000 0.964 20 Q CA 0.969 56.721 55.803 -0.085 0.000 0.855 20 Q CB 0.040 28.817 28.738 0.066 0.000 0.918 20 Q HN -0.003 nan 8.270 nan 0.000 0.444 21 N N -0.824 117.634 118.700 -0.403 0.000 2.793 21 N HA 0.118 5.113 4.740 0.426 0.000 0.251 21 N C -2.568 172.534 175.510 -0.680 0.000 1.308 21 N CA -1.235 51.547 53.050 -0.447 0.000 0.781 21 N CB 1.665 40.025 38.487 -0.212 0.000 1.439 21 N HN -0.104 nan 8.380 nan 0.000 0.562 22 P HA 0.013 nan 4.420 nan 0.000 0.245 22 P C 0.739 177.264 177.300 -1.291 0.000 1.206 22 P CA 0.584 62.639 63.100 -1.741 0.000 0.781 22 P CB 0.305 30.414 31.700 -2.652 0.000 0.994 23 H N 0.964 119.670 119.070 -0.608 0.000 2.321 23 H HA -0.013 4.796 4.556 0.422 0.000 0.300 23 H C -0.523 174.637 175.328 -0.280 0.000 1.087 23 H CA 1.817 57.686 56.048 -0.298 0.000 1.319 23 H CB -2.101 27.529 29.762 -0.220 0.000 1.379 23 H HN 0.275 nan 8.280 nan 0.000 0.501 24 P HA -0.085 nan 4.420 nan 0.000 0.216 24 P C 1.637 178.551 177.300 -0.642 0.000 1.153 24 P CA 1.748 64.625 63.100 -0.371 0.000 0.848 24 P CB -0.128 31.355 31.700 -0.362 0.000 0.787 25 A N -1.087 121.307 122.820 -0.709 0.000 1.883 25 A HA -0.254 4.321 4.320 0.426 0.000 0.217 25 A C 2.065 179.534 177.584 -0.192 0.000 1.186 25 A CA 1.722 53.465 52.037 -0.491 0.000 0.624 25 A CB -2.029 16.794 19.000 -0.294 0.000 0.822 25 A HN 0.112 nan 8.150 nan 0.000 0.444 26 Y N -0.158 120.051 120.300 -0.152 0.000 2.224 26 Y HA -0.064 4.759 4.550 0.455 0.000 0.289 26 Y C 2.950 178.830 175.900 -0.034 0.000 1.146 26 Y CA 0.305 58.370 58.100 -0.059 0.000 1.182 26 Y CB -1.123 37.301 38.460 -0.059 0.000 0.983 26 Y HN 0.335 nan 8.280 nan 0.000 0.524 27 A N 0.037 122.917 122.820 0.101 0.000 1.902 27 A HA -0.106 4.469 4.320 0.426 0.000 0.217 27 A C 2.516 180.133 177.584 0.055 0.000 1.181 27 A CA 1.934 54.012 52.037 0.067 0.000 0.623 27 A CB -1.176 17.841 19.000 0.028 0.000 0.818 27 A HN 0.380 nan 8.150 nan 0.000 0.443 28 A N -0.241 122.589 122.820 0.018 0.000 1.898 28 A HA -0.017 4.558 4.320 0.426 0.000 0.216 28 A C 2.174 179.811 177.584 0.088 0.000 1.181 28 A CA 1.415 53.496 52.037 0.073 0.000 0.620 28 A CB -0.614 18.472 19.000 0.143 0.000 0.819 28 A HN 0.469 nan 8.150 nan 0.000 0.442 29 L N -0.964 120.316 121.223 0.095 0.000 1.989 29 L HA -0.248 4.347 4.340 0.426 0.000 0.211 29 L C 2.921 179.851 176.870 0.100 0.000 1.071 29 L CA 1.789 56.694 54.840 0.108 0.000 0.749 29 L CB -0.550 41.598 42.059 0.147 0.000 0.890 29 L HN 0.377 nan 8.230 nan 0.000 0.431 30 R N -0.305 120.257 120.500 0.103 0.000 2.091 30 R HA -0.166 4.430 4.340 0.426 0.000 0.238 30 R C 2.369 178.719 176.300 0.084 0.000 1.136 30 R CA 1.422 57.578 56.100 0.093 0.000 0.959 30 R CB -0.473 29.885 30.300 0.098 0.000 0.856 30 R HN 0.397 nan 8.270 nan 0.000 0.437 31 A N 0.951 123.819 122.820 0.079 0.000 1.897 31 A HA -0.120 4.456 4.320 0.426 0.000 0.215 31 A C 1.625 179.248 177.584 0.066 0.000 1.181 31 A CA 1.227 53.306 52.037 0.069 0.000 0.620 31 A CB 0.067 19.106 19.000 0.065 0.000 0.821 31 A HN 0.189 nan 8.150 nan 0.000 0.443 32 E N -1.837 118.404 120.200 0.069 0.000 2.485 32 E HA 0.097 4.702 4.350 0.426 0.000 0.213 32 E C -0.670 175.968 176.600 0.064 0.000 0.923 32 E CA 0.194 56.631 56.400 0.062 0.000 1.054 32 E CB 0.763 30.499 29.700 0.060 0.000 1.077 32 E HN 0.420 nan 8.360 nan 0.000 0.509 33 D N 0.422 120.866 120.400 0.073 0.000 3.285 33 D HA 0.092 4.987 4.640 0.426 0.000 0.273 33 D C -2.164 174.188 176.300 0.087 0.000 1.295 33 D CA -1.199 52.846 54.000 0.075 0.000 0.762 33 D CB 0.925 41.764 40.800 0.064 0.000 1.379 33 D HN -0.138 nan 8.370 nan 0.000 0.612 34 P HA 0.029 nan 4.420 nan 0.000 0.237 34 P C 0.113 177.470 177.300 0.094 0.000 1.178 34 P CA 0.303 63.457 63.100 0.089 0.000 0.766 34 P CB 0.761 32.513 31.700 0.087 0.000 0.876 35 V N 0.988 120.976 119.914 0.124 0.000 2.498 35 V HA 0.403 4.779 4.120 0.426 0.000 0.283 35 V C -0.349 175.893 176.094 0.247 0.000 1.015 35 V CA -0.657 61.750 62.300 0.177 0.000 0.867 35 V CB 1.827 33.759 31.823 0.181 0.000 1.025 35 V HN 0.019 nan 8.190 nan 0.000 0.441 36 R N 3.549 124.172 120.500 0.206 0.000 2.574 36 R HA 0.556 5.151 4.340 0.426 0.000 0.288 36 R C -0.983 175.208 176.300 -0.182 0.000 1.004 36 R CA -0.648 55.476 56.100 0.039 0.000 0.895 36 R CB 1.568 31.883 30.300 0.025 0.000 1.191 36 R HN 0.553 nan 8.270 nan 0.000 0.444 37 K N 4.023 124.069 120.400 -0.590 0.000 2.298 37 K HA 0.351 4.926 4.320 0.426 0.000 0.280 37 K C -0.813 175.508 176.600 -0.466 0.000 1.032 37 K CA -0.314 55.424 56.287 -0.916 0.000 0.958 37 K CB 0.563 32.308 32.500 -1.259 0.000 0.978 37 K HN 0.604 nan 8.250 nan 0.000 0.472 38 L N 3.089 124.068 121.223 -0.405 0.000 2.341 38 L HA 0.439 5.034 4.340 0.426 0.000 0.278 38 L C -0.229 176.483 176.870 -0.263 0.000 1.005 38 L CA -0.992 53.678 54.840 -0.283 0.000 0.818 38 L CB 1.946 43.816 42.059 -0.317 0.000 1.259 38 L HN 0.666 nan 8.230 nan 0.000 0.418 39 A N 5.522 128.224 122.820 -0.196 0.000 2.807 39 A HA 0.543 5.118 4.320 0.426 0.000 0.307 39 A C -0.089 177.416 177.584 -0.132 0.000 1.532 39 A CA -0.279 51.668 52.037 -0.150 0.000 1.215 39 A CB -0.425 18.509 19.000 -0.110 0.000 1.127 39 A HN 0.632 nan 8.150 nan 0.000 0.543 40 L N 2.974 124.107 121.223 -0.150 0.000 2.416 40 L HA 0.342 4.937 4.340 0.426 0.000 0.262 40 L C -0.839 175.991 176.870 -0.067 0.000 1.093 40 L CA -1.996 52.767 54.840 -0.128 0.000 0.801 40 L CB 0.927 42.873 42.059 -0.190 0.000 1.191 40 L HN 0.408 nan 8.230 nan 0.000 0.459 41 P HA -0.144 nan 4.420 nan 0.000 0.216 41 P C 0.431 177.720 177.300 -0.018 0.000 1.153 41 P CA 1.338 64.430 63.100 -0.012 0.000 0.848 41 P CB 0.189 31.895 31.700 0.009 0.000 0.787 42 D N -0.517 119.870 120.400 -0.022 0.000 2.349 42 D HA 0.221 5.116 4.640 0.426 0.000 0.215 42 D C 1.268 177.559 176.300 -0.015 0.000 1.016 42 D CA 0.817 54.808 54.000 -0.016 0.000 0.870 42 D CB 0.535 41.328 40.800 -0.013 0.000 0.917 42 D HN 0.271 nan 8.370 nan 0.000 0.524 43 G N 1.184 109.965 108.800 -0.031 0.000 2.350 43 G HA2 0.160 4.376 3.960 0.426 0.000 0.305 43 G HA3 0.160 4.376 3.960 0.426 0.000 0.305 43 G C -3.212 171.652 174.900 -0.061 0.000 1.479 43 G CA -1.021 44.062 45.100 -0.027 0.000 0.949 43 G HN -0.261 nan 8.290 nan 0.000 0.651 44 P HA 0.595 nan 4.420 nan 0.000 0.277 44 P C -0.198 177.034 177.300 -0.113 0.000 1.240 44 P CA -0.443 62.577 63.100 -0.133 0.000 0.798 44 P CB 1.750 33.356 31.700 -0.156 0.000 0.979 45 V N -1.921 117.876 119.914 -0.195 0.000 3.012 45 V HA 0.579 4.955 4.120 0.426 0.000 0.307 45 V C -1.445 174.538 176.094 -0.186 0.000 1.166 45 V CA -1.033 61.203 62.300 -0.107 0.000 0.974 45 V CB 1.558 33.299 31.823 -0.137 0.000 1.040 45 V HN 0.385 nan 8.190 nan 0.000 0.428 46 W N 3.126 124.359 121.300 -0.112 0.000 2.381 46 W HA 0.787 5.695 4.660 0.413 0.000 0.329 46 W C -0.368 176.076 176.519 -0.125 0.000 1.157 46 W CA -0.449 56.836 57.345 -0.101 0.000 1.240 46 W CB 1.606 31.014 29.460 -0.087 0.000 1.199 46 W HN 0.679 nan 8.180 nan 0.000 0.579 47 L N 3.824 125.110 121.223 0.105 0.000 2.356 47 L HA 0.581 5.177 4.340 0.426 0.000 0.277 47 L C -1.497 175.396 176.870 0.039 0.000 0.996 47 L CA -0.770 54.094 54.840 0.039 0.000 0.822 47 L CB 0.882 42.974 42.059 0.055 0.000 1.256 47 L HN 0.215 nan 8.230 nan 0.000 0.413 48 L N 4.170 125.364 121.223 -0.048 0.000 2.282 48 L HA 0.586 5.181 4.340 0.426 0.000 0.288 48 L C 1.113 177.939 176.870 -0.075 0.000 1.033 48 L CA 0.258 55.046 54.840 -0.088 0.000 0.807 48 L CB 1.754 43.666 42.059 -0.245 0.000 1.209 48 L HN 0.841 nan 8.230 nan 0.000 0.423 49 T N -1.311 113.228 114.554 -0.024 0.000 2.959 49 T HA 0.271 4.876 4.350 0.426 0.000 0.254 49 T C 0.881 175.583 174.700 0.003 0.000 1.003 49 T CA -0.295 61.792 62.100 -0.022 0.000 0.950 49 T CB 0.087 68.978 68.868 0.038 0.000 1.090 49 T HN 0.296 nan 8.240 nan 0.000 0.503 50 R N 0.691 121.207 120.500 0.026 0.000 2.438 50 R HA 0.332 4.927 4.340 0.426 0.000 0.287 50 R C 0.662 177.002 176.300 0.067 0.000 1.077 50 R CA -0.467 55.678 56.100 0.076 0.000 1.034 50 R CB 0.487 30.844 30.300 0.093 0.000 0.993 50 R HN 0.208 nan 8.270 nan 0.000 0.459 51 Y N 3.140 123.439 120.300 -0.002 0.000 2.081 51 Y HA -0.340 4.481 4.550 0.451 0.000 0.280 51 Y C 2.092 177.954 175.900 -0.063 0.000 1.163 51 Y CA 2.343 60.403 58.100 -0.067 0.000 1.135 51 Y CB -0.137 38.294 38.460 -0.050 0.000 0.970 51 Y HN 0.773 nan 8.280 nan 0.000 0.498 52 A N -0.033 122.893 122.820 0.177 0.000 1.933 52 A HA -0.202 4.374 4.320 0.426 0.000 0.218 52 A C 1.883 179.481 177.584 0.023 0.000 1.175 52 A CA 2.063 54.156 52.037 0.094 0.000 0.628 52 A CB -0.808 18.290 19.000 0.162 0.000 0.814 52 A HN 0.572 nan 8.150 nan 0.000 0.444 53 D N -0.440 119.990 120.400 0.049 0.000 2.123 53 D HA -0.071 4.825 4.640 0.426 0.000 0.200 53 D C 2.096 178.327 176.300 -0.115 0.000 0.976 53 D CA 1.265 55.319 54.000 0.090 0.000 0.831 53 D CB -0.474 40.368 40.800 0.069 0.000 0.974 53 D HN 0.190 nan 8.370 nan 0.000 0.469 54 V N 1.004 120.800 119.914 -0.196 0.000 2.287 54 V HA -0.244 4.131 4.120 0.426 0.000 0.248 54 V C 2.563 178.554 176.094 -0.171 0.000 1.053 54 V CA 1.593 63.728 62.300 -0.276 0.000 1.027 54 V CB -0.345 31.325 31.823 -0.255 0.000 0.646 54 V HN 0.148 nan 8.190 nan 0.000 0.447 55 R N -0.452 119.899 120.500 -0.249 0.000 2.083 55 R HA -0.228 4.368 4.340 0.426 0.000 0.237 55 R C 2.460 178.805 176.300 0.075 0.000 1.137 55 R CA 2.021 58.011 56.100 -0.182 0.000 0.951 55 R CB -0.353 29.646 30.300 -0.502 0.000 0.851 55 R HN 0.694 nan 8.270 nan 0.000 0.434 56 E N 0.152 120.390 120.200 0.065 0.000 2.085 56 E HA -0.201 4.405 4.350 0.426 0.000 0.194 56 E C 1.797 178.505 176.600 0.181 0.000 0.994 56 E CA 1.302 57.799 56.400 0.162 0.000 0.801 56 E CB -0.057 29.783 29.700 0.234 0.000 0.743 56 E HN 0.370 nan 8.360 nan 0.000 0.453 57 A N 0.328 123.184 122.820 0.059 0.000 1.933 57 A HA -0.131 4.444 4.320 0.426 0.000 0.218 57 A C 1.941 179.488 177.584 -0.061 0.000 1.175 57 A CA 1.066 53.043 52.037 -0.100 0.000 0.628 57 A CB -0.947 17.765 19.000 -0.481 0.000 0.814 57 A HN 0.419 nan 8.150 nan 0.000 0.444 58 F N -0.165 119.782 119.950 -0.005 0.000 2.250 58 F HA -0.161 4.327 4.527 -0.064 0.000 0.301 58 F C 1.955 177.771 175.800 0.026 0.000 1.077 58 F CA 1.513 59.530 58.000 0.028 0.000 1.348 58 F CB 0.237 39.299 39.000 0.103 0.000 1.040 58 F HN 0.204 nan 8.300 nan 0.000 0.509 59 V N -4.056 115.988 119.914 0.216 0.000 3.427 59 V HA 0.188 4.563 4.120 0.426 0.000 0.305 59 V C -0.072 176.069 176.094 0.078 0.000 1.412 59 V CA -0.378 61.986 62.300 0.107 0.000 1.086 59 V CB -0.302 31.566 31.823 0.075 0.000 0.964 59 V HN -0.042 nan 8.190 nan 0.000 0.439 60 D N 3.149 123.602 120.400 0.089 0.000 2.339 60 D HA 0.275 5.171 4.640 0.426 0.000 0.256 60 D C -1.225 175.096 176.300 0.035 0.000 1.214 60 D CA -2.059 51.983 54.000 0.069 0.000 0.877 60 D CB 2.060 42.935 40.800 0.125 0.000 1.111 60 D HN 0.213 nan 8.370 nan 0.000 0.478 61 P HA -0.033 nan 4.420 nan 0.000 0.230 61 P C 0.758 178.046 177.300 -0.020 0.000 1.158 61 P CA 0.561 63.664 63.100 0.005 0.000 0.769 61 P CB 0.316 32.016 31.700 0.001 0.000 0.807 62 R N -0.775 119.709 120.500 -0.028 0.000 2.299 62 R HA 0.199 4.795 4.340 0.426 0.000 0.197 62 R C 0.682 176.930 176.300 -0.087 0.000 0.971 62 R CA 0.153 56.211 56.100 -0.070 0.000 1.030 62 R CB -0.191 30.076 30.300 -0.055 0.000 0.932 62 R HN 0.228 nan 8.270 nan 0.000 0.477 63 L N 1.334 122.530 121.223 -0.045 0.000 2.283 63 L HA 0.262 4.857 4.340 0.426 0.000 0.281 63 L C -0.093 176.771 176.870 -0.011 0.000 1.033 63 L CA -0.441 54.368 54.840 -0.052 0.000 0.848 63 L CB 1.553 43.567 42.059 -0.076 0.000 1.226 63 L HN -0.021 nan 8.230 nan 0.000 0.429 64 S N 2.152 117.871 115.700 0.031 0.000 2.681 64 S HA 0.414 5.139 4.470 0.426 0.000 0.299 64 S C 0.722 175.481 174.600 0.266 0.000 1.113 64 S CA -0.709 57.577 58.200 0.143 0.000 1.013 64 S CB 1.428 64.718 63.200 0.150 0.000 1.076 64 S HN 0.490 nan 8.310 nan 0.000 0.534 65 K N 1.284 121.846 120.400 0.270 0.000 2.374 65 K HA 0.168 4.743 4.320 0.426 0.000 0.196 65 K C -0.362 176.519 176.600 0.468 0.000 1.023 65 K CA 0.051 56.528 56.287 0.316 0.000 1.103 65 K CB -0.163 32.411 32.500 0.124 0.000 0.848 65 K HN 0.554 nan 8.250 nan 0.000 0.528 66 D N 1.616 122.241 120.400 0.375 0.000 2.365 66 D HA -0.041 4.855 4.640 0.426 0.000 0.237 66 D C 1.262 177.411 176.300 -0.252 0.000 1.190 66 D CA -0.469 53.588 54.000 0.094 0.000 0.867 66 D CB 0.358 41.151 40.800 -0.012 0.000 1.050 66 D HN 0.183 nan 8.370 nan 0.000 0.491 67 W N 5.094 126.054 121.300 -0.567 0.000 2.424 67 W HA -0.116 4.795 4.660 0.419 0.000 0.264 67 W C 0.672 176.764 176.519 -0.712 0.000 1.229 67 W CA -0.035 56.554 57.345 -1.259 0.000 1.208 67 W CB -0.574 28.468 29.460 -0.696 0.000 1.127 67 W HN 0.347 nan 8.180 nan 0.000 0.588 68 R N -0.023 119.582 120.500 -1.493 0.000 2.285 68 R HA -0.101 4.494 4.340 0.426 0.000 0.213 68 R C 1.886 177.720 176.300 -0.776 0.000 1.068 68 R CA 1.085 56.361 56.100 -1.373 0.000 1.004 68 R CB -0.605 29.005 30.300 -1.151 0.000 0.873 68 R HN 0.316 nan 8.270 nan 0.000 0.467 69 H N -0.022 118.777 119.070 -0.452 0.000 2.521 69 H HA -0.046 4.765 4.556 0.425 0.000 0.286 69 H C 2.017 177.250 175.328 -0.158 0.000 1.034 69 H CA 1.697 57.609 56.048 -0.227 0.000 1.278 69 H CB -0.007 29.698 29.762 -0.095 0.000 1.386 69 H HN 0.316 nan 8.280 nan 0.000 0.567 70 T N -1.118 113.367 114.554 -0.115 0.000 3.072 70 T HA 0.039 4.644 4.350 0.426 0.000 0.266 70 T C 1.003 175.692 174.700 -0.017 0.000 1.127 70 T CA 0.099 62.205 62.100 0.009 0.000 1.107 70 T CB -0.316 68.605 68.868 0.088 0.000 0.910 70 T HN 0.035 nan 8.240 nan 0.000 0.513 71 L N 2.709 123.855 121.223 -0.129 0.000 2.312 71 L HA 0.454 5.049 4.340 0.426 0.000 0.281 71 L C -2.159 174.664 176.870 -0.078 0.000 1.070 71 L CA -2.779 51.998 54.840 -0.105 0.000 0.805 71 L CB 0.773 42.711 42.059 -0.201 0.000 1.174 71 L HN -0.049 nan 8.230 nan 0.000 0.434 72 P HA -0.011 nan 4.420 nan 0.000 0.269 72 P C 0.259 177.529 177.300 -0.050 0.000 1.215 72 P CA -0.182 62.900 63.100 -0.029 0.000 0.780 72 P CB 0.985 32.678 31.700 -0.012 0.000 0.898 73 E N 1.898 122.074 120.200 -0.041 0.000 2.114 73 E HA -0.261 4.345 4.350 0.426 0.000 0.199 73 E C 1.359 177.929 176.600 -0.051 0.000 1.008 73 E CA 2.058 58.429 56.400 -0.048 0.000 0.810 73 E CB -0.731 28.951 29.700 -0.031 0.000 0.739 73 E HN 0.578 nan 8.360 nan 0.000 0.456 74 D N -0.524 119.854 120.400 -0.036 0.000 2.371 74 D HA -0.161 4.735 4.640 0.426 0.000 0.221 74 D C 0.792 177.071 176.300 -0.035 0.000 0.986 74 D CA 0.579 54.560 54.000 -0.031 0.000 0.899 74 D CB -0.071 40.717 40.800 -0.020 0.000 0.902 74 D HN 0.365 nan 8.370 nan 0.000 0.530 75 Q N -0.356 119.415 119.800 -0.047 0.000 2.198 75 Q HA 0.240 4.835 4.340 0.426 0.000 0.209 75 Q C 1.462 177.416 176.000 -0.077 0.000 0.848 75 Q CA -0.295 55.480 55.803 -0.046 0.000 0.974 75 Q CB 0.725 29.444 28.738 -0.032 0.000 1.115 75 Q HN 0.198 nan 8.270 nan 0.000 0.494 76 R N 0.001 120.440 120.500 -0.101 0.000 2.254 76 R HA 0.168 4.764 4.340 0.426 0.000 0.195 76 R C 2.046 178.279 176.300 -0.112 0.000 0.957 76 R CA 0.640 56.651 56.100 -0.149 0.000 1.024 76 R CB 0.092 30.279 30.300 -0.189 0.000 0.952 76 R HN 0.141 nan 8.270 nan 0.000 0.484 77 A N 2.193 124.970 122.820 -0.071 0.000 1.881 77 A HA -0.258 4.317 4.320 0.426 0.000 0.219 77 A C 1.478 179.039 177.584 -0.039 0.000 1.215 77 A CA 2.120 54.127 52.037 -0.050 0.000 0.648 77 A CB -0.516 18.464 19.000 -0.033 0.000 0.832 77 A HN 0.200 nan 8.150 nan 0.000 0.455 78 D N -0.645 119.741 120.400 -0.024 0.000 2.264 78 D HA -0.045 4.851 4.640 0.426 0.000 0.208 78 D C 0.478 176.782 176.300 0.006 0.000 0.966 78 D CA 0.561 54.559 54.000 -0.003 0.000 0.864 78 D CB -0.260 40.548 40.800 0.013 0.000 0.933 78 D HN 0.281 nan 8.370 nan 0.000 0.499 79 M N 2.211 121.801 119.600 -0.016 0.000 2.200 79 M HA 0.223 4.958 4.480 0.426 0.000 0.355 79 M C -2.063 174.249 176.300 0.020 0.000 1.283 79 M CA -2.184 53.126 55.300 0.016 0.000 1.124 79 M CB 0.081 32.623 32.600 -0.096 0.000 1.625 79 M HN -0.179 nan 8.290 nan 0.000 0.463 80 P HA 0.299 nan 4.420 nan 0.000 0.276 80 P C 0.065 177.455 177.300 0.150 0.000 1.244 80 P CA -0.295 62.875 63.100 0.116 0.000 0.801 80 P CB 0.631 32.413 31.700 0.137 0.000 1.006 81 A N 2.077 124.955 122.820 0.096 0.000 1.930 81 A HA 0.046 4.621 4.320 0.426 0.000 0.217 81 A C 1.040 178.754 177.584 0.216 0.000 1.175 81 A CA 1.855 53.942 52.037 0.083 0.000 0.627 81 A CB -1.070 17.966 19.000 0.061 0.000 0.815 81 A HN 0.747 nan 8.150 nan 0.000 0.443 82 T N -5.360 109.324 114.554 0.215 0.000 2.900 82 T HA 0.558 5.163 4.350 0.426 0.000 0.303 82 T C -2.547 172.229 174.700 0.127 0.000 1.142 82 T CA -1.125 61.092 62.100 0.196 0.000 1.007 82 T CB 1.771 70.726 68.868 0.146 0.000 1.156 82 T HN -0.043 nan 8.240 nan 0.000 0.490 83 P HA 0.199 nan 4.420 nan 0.000 0.227 83 P C 0.309 177.621 177.300 0.020 0.000 1.161 83 P CA 0.641 63.735 63.100 -0.009 0.000 0.788 83 P CB 0.301 31.952 31.700 -0.081 0.000 0.822 84 T N -0.426 114.158 114.554 0.050 0.000 3.041 84 T HA 0.359 4.964 4.350 0.426 0.000 0.321 84 T C -3.041 171.709 174.700 0.083 0.000 1.184 84 T CA -2.023 60.116 62.100 0.065 0.000 1.050 84 T CB 1.550 70.457 68.868 0.065 0.000 1.159 84 T HN -0.244 nan 8.240 nan 0.000 0.469 85 P HA 0.234 nan 4.420 nan 0.000 0.232 85 P C -0.310 177.046 177.300 0.094 0.000 1.738 85 P CA -0.177 62.976 63.100 0.088 0.000 0.948 85 P CB -0.576 31.169 31.700 0.076 0.000 1.943 86 M N 1.410 121.072 119.600 0.104 0.000 2.180 86 M HA 0.297 5.032 4.480 0.426 0.000 0.358 86 M C 1.951 178.336 176.300 0.141 0.000 1.233 86 M CA -0.486 54.880 55.300 0.110 0.000 1.114 86 M CB 1.829 34.490 32.600 0.103 0.000 1.594 86 M HN 0.038 nan 8.290 nan 0.000 0.467 87 M N 3.516 123.205 119.600 0.148 0.000 2.279 87 M HA -0.124 4.611 4.480 0.426 0.000 0.264 87 M C 1.496 178.015 176.300 0.365 0.000 1.062 87 M CA 1.891 57.322 55.300 0.218 0.000 1.099 87 M CB -0.135 32.537 32.600 0.120 0.000 1.394 87 M HN 0.814 nan 8.290 nan 0.000 0.426 88 I N 0.864 121.584 120.570 0.251 0.000 2.756 88 I HA -0.181 4.244 4.170 0.426 0.000 0.262 88 I C 0.994 177.148 176.117 0.061 0.000 1.225 88 I CA 0.881 62.281 61.300 0.167 0.000 1.472 88 I CB 0.079 38.135 38.000 0.093 0.000 1.094 88 I HN 0.405 nan 8.210 nan 0.000 0.454 89 L N 0.362 121.673 121.223 0.147 0.000 2.700 89 L HA 0.285 4.880 4.340 0.426 0.000 0.234 89 L C 0.082 177.076 176.870 0.207 0.000 1.156 89 L CA -0.146 54.790 54.840 0.159 0.000 0.946 89 L CB -0.246 41.912 42.059 0.166 0.000 1.216 89 L HN 0.139 nan 8.230 nan 0.000 0.493 90 M N -0.920 118.836 119.600 0.261 0.000 2.598 90 M HA 0.402 5.138 4.480 0.426 0.000 0.317 90 M C -0.973 175.506 176.300 0.298 0.000 1.179 90 M CA -0.711 54.750 55.300 0.268 0.000 0.936 90 M CB 2.161 34.925 32.600 0.273 0.000 1.713 90 M HN -0.152 nan 8.290 nan 0.000 0.460 91 D N 1.521 122.053 120.400 0.220 0.000 2.332 91 D HA 0.473 5.368 4.640 0.426 0.000 0.252 91 D C -2.384 174.012 176.300 0.161 0.000 1.050 91 D CA -1.321 52.782 54.000 0.173 0.000 0.970 91 D CB 0.624 41.512 40.800 0.146 0.000 1.141 91 D HN 0.166 nan 8.370 nan 0.000 0.485 92 P HA 0.075 nan 4.420 nan 0.000 0.268 92 P C -1.664 175.683 177.300 0.078 0.000 1.208 92 P CA -0.683 62.479 63.100 0.103 0.000 0.777 92 P CB 0.088 31.827 31.700 0.065 0.000 0.875 93 P HA -0.048 nan 4.420 nan 0.000 0.235 93 P C 0.468 177.804 177.300 0.060 0.000 1.177 93 P CA 0.923 64.055 63.100 0.054 0.000 0.785 93 P CB 0.197 31.917 31.700 0.033 0.000 0.885 94 D N -0.569 119.876 120.400 0.075 0.000 2.104 94 D HA -0.207 4.688 4.640 0.426 0.000 0.194 94 D C 1.964 178.314 176.300 0.084 0.000 0.994 94 D CA 1.109 55.153 54.000 0.073 0.000 0.830 94 D CB -1.016 39.834 40.800 0.084 0.000 0.959 94 D HN 0.349 nan 8.370 nan 0.000 0.452 95 H N 0.642 119.738 119.070 0.043 0.000 2.352 95 H HA -0.097 4.719 4.556 0.433 0.000 0.299 95 H C 1.458 176.781 175.328 -0.008 0.000 1.097 95 H CA 1.969 58.036 56.048 0.031 0.000 1.311 95 H CB 0.081 29.852 29.762 0.014 0.000 1.377 95 H HN 0.060 nan 8.280 nan 0.000 0.504 96 T N 1.081 115.629 114.554 -0.010 0.000 2.708 96 T HA -0.169 4.437 4.350 0.426 0.000 0.266 96 T C 2.145 176.780 174.700 -0.110 0.000 1.037 96 T CA 1.581 63.645 62.100 -0.058 0.000 1.146 96 T CB -0.227 68.654 68.868 0.021 0.000 0.865 96 T HN 0.387 nan 8.240 nan 0.000 0.435 97 R N 0.791 121.253 120.500 -0.063 0.000 2.083 97 R HA -0.021 4.574 4.340 0.426 0.000 0.237 97 R C 2.395 178.649 176.300 -0.076 0.000 1.137 97 R CA 1.294 57.364 56.100 -0.051 0.000 0.951 97 R CB -0.471 29.818 30.300 -0.018 0.000 0.851 97 R HN 0.357 nan 8.270 nan 0.000 0.434 98 L N 0.141 121.303 121.223 -0.102 0.000 2.093 98 L HA -0.113 4.483 4.340 0.426 0.000 0.208 98 L C 2.796 179.579 176.870 -0.144 0.000 1.085 98 L CA 1.261 56.044 54.840 -0.094 0.000 0.755 98 L CB -0.396 41.624 42.059 -0.065 0.000 0.904 98 L HN 0.219 nan 8.230 nan 0.000 0.435 99 R N 0.952 121.279 120.500 -0.287 0.000 2.075 99 R HA -0.188 4.407 4.340 0.426 0.000 0.232 99 R C 2.276 178.496 176.300 -0.133 0.000 1.126 99 R CA 1.592 57.528 56.100 -0.273 0.000 0.963 99 R CB -0.235 29.787 30.300 -0.463 0.000 0.858 99 R HN 0.180 nan 8.270 nan 0.000 0.435 100 K N 0.153 120.487 120.400 -0.110 0.000 2.026 100 K HA -0.135 4.441 4.320 0.426 0.000 0.208 100 K C 1.941 178.525 176.600 -0.026 0.000 1.048 100 K CA 1.780 58.035 56.287 -0.053 0.000 0.929 100 K CB -0.188 32.285 32.500 -0.044 0.000 0.713 100 K HN 0.237 nan 8.250 nan 0.000 0.439 101 L N 0.507 121.714 121.223 -0.027 0.000 2.017 101 L HA -0.157 4.439 4.340 0.426 0.000 0.208 101 L C 2.549 179.433 176.870 0.023 0.000 1.073 101 L CA 0.974 55.814 54.840 -0.001 0.000 0.745 101 L CB -0.556 41.501 42.059 -0.002 0.000 0.894 101 L HN 0.129 nan 8.230 nan 0.000 0.432 102 V N 0.324 120.251 119.914 0.022 0.000 2.453 102 V HA -0.106 4.269 4.120 0.426 0.000 0.247 102 V C 2.380 178.554 176.094 0.134 0.000 1.048 102 V CA 1.953 64.301 62.300 0.081 0.000 1.049 102 V CB -0.415 31.444 31.823 0.059 0.000 0.672 102 V HN 0.493 nan 8.190 nan 0.000 0.457 103 G N 0.122 108.953 108.800 0.051 0.000 2.442 103 G HA2 -0.265 3.950 3.960 0.426 0.000 0.219 103 G HA3 -0.265 3.950 3.960 0.426 0.000 0.219 103 G C 1.595 176.575 174.900 0.135 0.000 1.141 103 G CA 0.897 46.036 45.100 0.065 0.000 0.763 103 G HN 0.526 nan 8.290 nan 0.000 0.554 104 R N 0.465 121.017 120.500 0.087 0.000 2.159 104 R HA -0.150 4.445 4.340 0.426 0.000 0.252 104 R C 2.691 179.044 176.300 0.089 0.000 1.144 104 R CA 1.849 57.991 56.100 0.070 0.000 0.961 104 R CB -0.824 29.503 30.300 0.045 0.000 0.877 104 R HN 0.337 nan 8.270 nan 0.000 0.444 105 S N 0.025 115.798 115.700 0.122 0.000 2.489 105 S HA 0.024 4.750 4.470 0.426 0.000 0.228 105 S C 0.454 175.060 174.600 0.010 0.000 0.995 105 S CA 0.347 58.583 58.200 0.060 0.000 0.934 105 S CB 0.029 63.255 63.200 0.044 0.000 0.771 105 S HN 0.121 nan 8.310 nan 0.000 0.522 106 F N 3.745 123.696 119.950 0.002 0.000 2.666 106 F HA 0.152 4.940 4.527 0.434 0.000 0.362 106 F C 1.349 177.151 175.800 0.004 0.000 1.190 106 F CA -0.612 57.390 58.000 0.004 0.000 1.328 106 F CB -0.973 38.031 39.000 0.007 0.000 1.682 106 F HN -0.001 nan 8.300 nan 0.000 0.623 107 T N -3.213 111.367 114.554 0.044 0.000 2.868 107 T HA 0.202 4.807 4.350 0.426 0.000 0.292 107 T C 1.452 176.170 174.700 0.029 0.000 1.028 107 T CA -0.798 61.323 62.100 0.036 0.000 1.059 107 T CB 1.566 70.436 68.868 0.003 0.000 0.991 107 T HN 0.066 nan 8.240 nan 0.000 0.531 108 V N 2.099 122.033 119.914 0.034 0.000 2.332 108 V HA -0.186 4.189 4.120 0.426 0.000 0.248 108 V C 3.026 179.127 176.094 0.011 0.000 1.055 108 V CA 1.848 64.165 62.300 0.029 0.000 1.038 108 V CB -0.897 30.942 31.823 0.027 0.000 0.651 108 V HN 0.851 nan 8.190 nan 0.000 0.450 109 R N -0.502 119.999 120.500 0.002 0.000 2.092 109 R HA -0.129 4.466 4.340 0.426 0.000 0.231 109 R C 2.552 178.838 176.300 -0.022 0.000 1.119 109 R CA 1.419 57.515 56.100 -0.007 0.000 0.970 109 R CB -0.349 29.946 30.300 -0.009 0.000 0.864 109 R HN 0.453 nan 8.270 nan 0.000 0.440 110 R N 0.348 120.824 120.500 -0.040 0.000 2.096 110 R HA -0.101 4.494 4.340 0.426 0.000 0.235 110 R C 2.016 178.276 176.300 -0.067 0.000 1.127 110 R CA 1.263 57.317 56.100 -0.076 0.000 0.968 110 R CB 0.066 30.285 30.300 -0.136 0.000 0.861 110 R HN 0.076 nan 8.270 nan 0.000 0.440 111 M N 0.331 119.907 119.600 -0.039 0.000 2.123 111 M HA -0.090 4.645 4.480 0.426 0.000 0.263 111 M C 1.701 178.001 176.300 -0.000 0.000 1.069 111 M CA 1.666 56.959 55.300 -0.012 0.000 1.133 111 M CB -1.351 31.265 32.600 0.027 0.000 1.356 111 M HN 0.231 nan 8.290 nan 0.000 0.415 112 N N 0.237 118.939 118.700 0.003 0.000 2.166 112 N HA -0.169 4.826 4.740 0.426 0.000 0.186 112 N C 1.570 177.080 175.510 0.000 0.000 1.019 112 N CA 1.105 54.160 53.050 0.007 0.000 0.856 112 N CB -0.029 38.463 38.487 0.009 0.000 0.993 112 N HN 0.456 nan 8.380 nan 0.000 0.426 113 E N 0.423 120.616 120.200 -0.011 0.000 2.204 113 E HA -0.096 4.510 4.350 0.426 0.000 0.194 113 E C 1.689 178.279 176.600 -0.017 0.000 0.989 113 E CA 0.544 56.934 56.400 -0.016 0.000 0.824 113 E CB 0.064 29.748 29.700 -0.026 0.000 0.756 113 E HN 0.393 nan 8.360 nan 0.000 0.477 114 L N 0.645 121.857 121.223 -0.019 0.000 2.217 114 L HA -0.124 4.471 4.340 0.426 0.000 0.211 114 L C 2.485 179.355 176.870 -0.000 0.000 1.107 114 L CA 0.700 55.530 54.840 -0.017 0.000 0.783 114 L CB -0.183 41.861 42.059 -0.024 0.000 0.919 114 L HN 0.155 nan 8.230 nan 0.000 0.442 115 E N 0.829 121.034 120.200 0.009 0.000 2.070 115 E HA -0.237 4.368 4.350 0.426 0.000 0.197 115 E C -0.655 175.957 176.600 0.020 0.000 1.004 115 E CA 1.709 58.122 56.400 0.021 0.000 0.805 115 E CB -0.556 29.160 29.700 0.026 0.000 0.744 115 E HN 0.297 nan 8.360 nan 0.000 0.451 116 P HA -0.145 nan 4.420 nan 0.000 0.217 116 P C 0.898 178.205 177.300 0.012 0.000 1.150 116 P CA 1.171 64.279 63.100 0.015 0.000 0.832 116 P CB 0.001 31.706 31.700 0.009 0.000 0.787 117 R N -0.310 120.193 120.500 0.005 0.000 2.075 117 R HA 0.002 4.598 4.340 0.426 0.000 0.232 117 R C 2.363 178.666 176.300 0.006 0.000 1.126 117 R CA 1.113 57.213 56.100 0.001 0.000 0.963 117 R CB -1.629 28.665 30.300 -0.011 0.000 0.858 117 R HN 0.317 nan 8.270 nan 0.000 0.435 118 I N 0.671 121.247 120.570 0.010 0.000 2.226 118 I HA -0.240 4.185 4.170 0.426 0.000 0.245 118 I C 2.056 178.190 176.117 0.029 0.000 1.100 118 I CA 1.492 62.802 61.300 0.017 0.000 1.374 118 I CB -0.624 37.392 38.000 0.026 0.000 1.057 118 I HN 0.114 nan 8.210 nan 0.000 0.413 119 T N 0.132 114.707 114.554 0.036 0.000 2.746 119 T HA -0.191 4.414 4.350 0.426 0.000 0.267 119 T C 1.780 176.508 174.700 0.046 0.000 1.039 119 T CA 1.472 63.601 62.100 0.048 0.000 1.142 119 T CB -0.230 68.664 68.868 0.044 0.000 0.866 119 T HN 0.410 nan 8.240 nan 0.000 0.444 120 E N 0.371 120.590 120.200 0.032 0.000 2.072 120 E HA -0.015 4.590 4.350 0.426 0.000 0.191 120 E C 2.165 178.784 176.600 0.031 0.000 0.985 120 E CA 0.745 57.162 56.400 0.028 0.000 0.801 120 E CB -0.212 29.498 29.700 0.016 0.000 0.750 120 E HN 0.457 nan 8.360 nan 0.000 0.452 121 I N 0.958 121.542 120.570 0.023 0.000 2.163 121 I HA -0.304 4.121 4.170 0.426 0.000 0.243 121 I C 2.477 178.618 176.117 0.039 0.000 1.085 121 I CA 1.073 62.383 61.300 0.017 0.000 1.347 121 I CB -0.280 37.718 38.000 -0.003 0.000 1.044 121 I HN 0.118 nan 8.210 nan 0.000 0.408 122 A N 0.458 123.312 122.820 0.057 0.000 1.855 122 A HA -0.224 4.351 4.320 0.426 0.000 0.215 122 A C 1.964 179.662 177.584 0.190 0.000 1.191 122 A CA 1.972 54.092 52.037 0.139 0.000 0.613 122 A CB -0.646 18.451 19.000 0.163 0.000 0.829 122 A HN 0.325 nan 8.150 nan 0.000 0.442 123 D N -0.164 120.306 120.400 0.117 0.000 2.149 123 D HA -0.108 4.787 4.640 0.426 0.000 0.198 123 D C 2.007 178.349 176.300 0.071 0.000 0.990 123 D CA 1.491 55.541 54.000 0.084 0.000 0.839 123 D CB -0.695 40.138 40.800 0.055 0.000 0.948 123 D HN 0.454 nan 8.370 nan 0.000 0.460 124 G N 0.382 109.221 108.800 0.065 0.000 2.402 124 G HA2 -0.176 4.040 3.960 0.426 0.000 0.216 124 G HA3 -0.176 4.040 3.960 0.426 0.000 0.216 124 G C 1.788 176.726 174.900 0.063 0.000 1.162 124 G CA 0.262 45.392 45.100 0.049 0.000 0.777 124 G HN 0.255 nan 8.290 nan 0.000 0.539 125 L N -0.128 121.158 121.223 0.106 0.000 2.027 125 L HA 0.068 4.664 4.340 0.426 0.000 0.206 125 L C 2.869 179.808 176.870 0.114 0.000 1.074 125 L CA 0.449 55.375 54.840 0.144 0.000 0.745 125 L CB -0.371 41.840 42.059 0.254 0.000 0.898 125 L HN 0.154 nan 8.230 nan 0.000 0.433 126 L N -0.329 120.960 121.223 0.110 0.000 2.079 126 L HA -0.232 4.363 4.340 0.426 0.000 0.210 126 L C 2.816 179.672 176.870 -0.022 0.000 1.081 126 L CA 1.186 56.018 54.840 -0.014 0.000 0.752 126 L CB -0.748 41.294 42.059 -0.028 0.000 0.896 126 L HN 0.270 nan 8.230 nan 0.000 0.433 127 A N 0.028 122.852 122.820 0.006 0.000 1.969 127 A HA -0.081 4.494 4.320 0.426 0.000 0.218 127 A C 2.290 179.869 177.584 -0.008 0.000 1.169 127 A CA 1.587 53.622 52.037 -0.003 0.000 0.635 127 A CB -0.903 18.102 19.000 0.007 0.000 0.810 127 A HN 0.449 nan 8.150 nan 0.000 0.445 128 G N -0.933 107.867 108.800 0.000 0.000 2.880 128 G HA2 0.326 4.541 3.960 0.426 0.000 0.209 128 G HA3 0.326 4.541 3.960 0.426 0.000 0.209 128 G C 0.507 175.398 174.900 -0.016 0.000 1.157 128 G CA -0.227 44.871 45.100 -0.003 0.000 0.779 128 G HN 0.392 nan 8.290 nan 0.000 0.539 129 L N 2.307 123.511 121.223 -0.031 0.000 2.349 129 L HA 0.322 4.918 4.340 0.426 0.000 0.275 129 L C -1.695 175.140 176.870 -0.058 0.000 1.115 129 L CA -1.859 52.950 54.840 -0.053 0.000 0.820 129 L CB 1.033 43.038 42.059 -0.090 0.000 1.135 129 L HN -0.018 nan 8.230 nan 0.000 0.445 130 P HA 0.148 nan 4.420 nan 0.000 0.276 130 P C 0.133 177.395 177.300 -0.064 0.000 1.244 130 P CA -0.428 62.641 63.100 -0.052 0.000 0.801 130 P CB 1.283 32.956 31.700 -0.044 0.000 1.006 131 T N -0.546 113.974 114.554 -0.056 0.000 2.809 131 T HA -0.008 4.597 4.350 0.426 0.000 0.260 131 T C 0.220 174.886 174.700 -0.057 0.000 1.039 131 T CA 1.325 63.389 62.100 -0.060 0.000 1.141 131 T CB -0.337 68.502 68.868 -0.048 0.000 0.869 131 T HN 0.493 nan 8.240 nan 0.000 0.437 132 D N -0.001 120.371 120.400 -0.047 0.000 2.217 132 D HA 0.573 5.468 4.640 0.426 0.000 0.243 132 D C 0.569 176.843 176.300 -0.043 0.000 1.054 132 D CA -0.266 53.709 54.000 -0.043 0.000 0.838 132 D CB 1.808 42.588 40.800 -0.034 0.000 1.162 132 D HN 0.280 nan 8.370 nan 0.000 0.472 133 G N 1.559 110.332 108.800 -0.046 0.000 2.851 133 G HA2 0.383 4.598 3.960 0.426 0.000 0.208 133 G HA3 0.383 4.598 3.960 0.426 0.000 0.208 133 G C -1.880 172.997 174.900 -0.039 0.000 1.894 133 G CA -0.319 44.753 45.100 -0.046 0.000 0.732 133 G HN 0.383 nan 8.290 nan 0.000 0.802 134 P HA 0.469 nan 4.420 nan 0.000 0.274 134 P C -0.592 176.675 177.300 -0.054 0.000 1.237 134 P CA -0.405 62.665 63.100 -0.050 0.000 0.793 134 P CB 1.522 33.194 31.700 -0.046 0.000 0.977 135 V N -1.606 118.268 119.914 -0.066 0.000 2.769 135 V HA 0.516 4.891 4.120 0.426 0.000 0.312 135 V C -0.731 175.313 176.094 -0.084 0.000 1.061 135 V CA -0.932 61.325 62.300 -0.071 0.000 0.931 135 V CB 2.032 33.809 31.823 -0.077 0.000 1.010 135 V HN 0.443 nan 8.190 nan 0.000 0.433 136 D N 3.360 123.706 120.400 -0.091 0.000 2.393 136 D HA 0.187 5.082 4.640 0.426 0.000 0.232 136 D C 0.677 176.893 176.300 -0.140 0.000 1.192 136 D CA -0.221 53.705 54.000 -0.123 0.000 0.882 136 D CB 1.227 41.944 40.800 -0.138 0.000 1.038 136 D HN 0.639 nan 8.370 nan 0.000 0.499 137 L N 4.505 125.653 121.223 -0.125 0.000 2.265 137 L HA -0.138 4.457 4.340 0.426 0.000 0.215 137 L C 1.774 178.575 176.870 -0.115 0.000 1.117 137 L CA 1.327 56.116 54.840 -0.085 0.000 0.782 137 L CB -0.235 41.783 42.059 -0.068 0.000 0.914 137 L HN 0.490 nan 8.230 nan 0.000 0.441 138 M N -0.935 118.496 119.600 -0.282 0.000 2.062 138 M HA -0.172 4.563 4.480 0.426 0.000 0.259 138 M C 2.422 178.174 176.300 -0.914 0.000 1.076 138 M CA 1.640 56.581 55.300 -0.599 0.000 1.122 138 M CB -1.420 30.722 32.600 -0.764 0.000 1.312 138 M HN 0.221 nan 8.290 nan 0.000 0.412 139 R N 0.381 120.382 120.500 -0.831 0.000 2.105 139 R HA -0.145 4.451 4.340 0.426 0.000 0.239 139 R C 1.758 177.978 176.300 -0.132 0.000 1.135 139 R CA 1.397 57.206 56.100 -0.485 0.000 0.967 139 R CB 0.073 30.247 30.300 -0.210 0.000 0.861 139 R HN 0.403 nan 8.270 nan 0.000 0.442 140 E N -1.677 118.464 120.200 -0.099 0.000 2.385 140 E HA -0.104 4.502 4.350 0.426 0.000 0.194 140 E C 0.472 177.148 176.600 0.126 0.000 1.013 140 E CA 0.709 57.117 56.400 0.013 0.000 0.866 140 E CB 0.452 30.147 29.700 -0.007 0.000 0.832 140 E HN 0.470 nan 8.360 nan 0.000 0.500 141 Y N -0.619 119.647 120.300 -0.056 0.000 3.324 141 Y HA 0.254 5.059 4.550 0.426 0.000 0.187 141 Y C 2.127 178.053 175.900 0.044 0.000 0.920 141 Y CA 0.733 58.827 58.100 -0.009 0.000 1.710 141 Y CB -0.219 38.221 38.460 -0.033 0.000 1.461 141 Y HN -0.090 nan 8.280 nan 0.000 0.360 142 A N 0.851 123.701 122.820 0.049 0.000 1.940 142 A HA -0.156 4.419 4.320 0.426 0.000 0.219 142 A C 1.975 179.683 177.584 0.206 0.000 1.176 142 A CA 1.775 53.834 52.037 0.037 0.000 0.631 142 A CB -1.481 17.585 19.000 0.110 0.000 0.814 142 A HN 0.652 nan 8.150 nan 0.000 0.446 143 F N -0.296 119.671 119.950 0.028 0.000 2.293 143 F HA -0.186 4.596 4.527 0.425 0.000 0.300 143 F C 2.829 178.695 175.800 0.110 0.000 1.086 143 F CA 0.709 58.760 58.000 0.085 0.000 1.375 143 F CB 0.054 39.093 39.000 0.064 0.000 1.045 143 F HN 0.327 nan 8.300 nan 0.000 0.516 144 Q N 0.412 120.341 119.800 0.214 0.000 2.123 144 Q HA -0.074 4.522 4.340 0.426 0.000 0.196 144 Q C 2.329 178.337 176.000 0.014 0.000 0.958 144 Q CA 0.951 56.810 55.803 0.093 0.000 0.841 144 Q CB -0.433 28.337 28.738 0.054 0.000 0.915 144 Q HN 0.493 nan 8.270 nan 0.000 0.455 145 I N 1.646 122.184 120.570 -0.053 0.000 2.091 145 I HA -0.264 4.161 4.170 0.426 0.000 0.239 145 I C -0.621 175.481 176.117 -0.026 0.000 1.061 145 I CA 1.571 62.819 61.300 -0.086 0.000 1.317 145 I CB -1.571 36.311 38.000 -0.197 0.000 1.031 145 I HN 0.132 nan 8.210 nan 0.000 0.401 146 P HA -0.145 nan 4.420 nan 0.000 0.218 146 P C 1.906 179.173 177.300 -0.055 0.000 1.149 146 P CA 1.079 64.207 63.100 0.046 0.000 0.817 146 P CB 0.040 31.851 31.700 0.185 0.000 0.785 147 V N -0.470 119.315 119.914 -0.215 0.000 2.488 147 V HA -0.225 4.150 4.120 0.426 0.000 0.246 147 V C 2.138 178.182 176.094 -0.082 0.000 1.046 147 V CA 1.763 63.903 62.300 -0.265 0.000 1.053 147 V CB -0.929 30.605 31.823 -0.481 0.000 0.679 147 V HN 0.069 nan 8.190 nan 0.000 0.458 148 Q N -0.464 119.295 119.800 -0.068 0.000 2.096 148 Q HA -0.174 4.422 4.340 0.426 0.000 0.204 148 Q C 2.264 178.234 176.000 -0.050 0.000 0.982 148 Q CA 2.132 57.906 55.803 -0.050 0.000 0.850 148 Q CB -0.306 28.410 28.738 -0.036 0.000 0.901 148 Q HN 0.623 nan 8.270 nan 0.000 0.422 149 V N 0.980 120.873 119.914 -0.035 0.000 2.343 149 V HA -0.255 4.120 4.120 0.426 0.000 0.247 149 V C 2.138 178.216 176.094 -0.027 0.000 1.051 149 V CA 1.538 63.825 62.300 -0.021 0.000 1.036 149 V CB -0.447 31.379 31.823 0.004 0.000 0.654 149 V HN 0.329 nan 8.190 nan 0.000 0.451 150 I N -0.694 119.866 120.570 -0.017 0.000 2.226 150 I HA -0.276 4.150 4.170 0.426 0.000 0.245 150 I C 2.611 178.674 176.117 -0.090 0.000 1.100 150 I CA 1.416 62.714 61.300 -0.004 0.000 1.374 150 I CB -0.480 37.559 38.000 0.066 0.000 1.057 150 I HN 0.352 nan 8.210 nan 0.000 0.413 151 C N 0.423 119.629 119.300 -0.158 0.000 2.398 151 C HA -0.171 4.544 4.460 0.426 0.000 0.276 151 C C 2.795 177.682 174.990 -0.171 0.000 1.222 151 C CA 0.831 59.683 59.018 -0.276 0.000 1.746 151 C CB -0.946 26.642 27.740 -0.253 0.000 2.039 151 C HN 0.482 nan 8.230 nan 0.000 0.470 152 E N 0.317 120.451 120.200 -0.109 0.000 2.077 152 E HA -0.185 4.420 4.350 0.426 0.000 0.193 152 E C 2.006 178.556 176.600 -0.083 0.000 0.989 152 E CA 1.029 57.381 56.400 -0.081 0.000 0.800 152 E CB -0.658 29.008 29.700 -0.056 0.000 0.746 152 E HN 0.604 nan 8.360 nan 0.000 0.452 153 L N 0.678 121.852 121.223 -0.082 0.000 2.017 153 L HA -0.148 4.448 4.340 0.426 0.000 0.208 153 L C 2.289 179.098 176.870 -0.103 0.000 1.073 153 L CA 1.552 56.334 54.840 -0.097 0.000 0.745 153 L CB -0.491 41.520 42.059 -0.080 0.000 0.894 153 L HN 0.073 nan 8.230 nan 0.000 0.432 154 L N -0.506 120.660 121.223 -0.094 0.000 2.156 154 L HA 0.118 4.713 4.340 0.426 0.000 0.208 154 L C 1.366 178.184 176.870 -0.087 0.000 1.095 154 L CA 0.728 55.518 54.840 -0.083 0.000 0.770 154 L CB -0.712 41.295 42.059 -0.086 0.000 0.914 154 L HN 0.607 nan 8.230 nan 0.000 0.439 155 G N 0.499 109.239 108.800 -0.099 0.000 2.270 155 G HA2 -0.196 4.020 3.960 0.426 0.000 0.224 155 G HA3 -0.196 4.020 3.960 0.426 0.000 0.224 155 G C -0.152 174.700 174.900 -0.080 0.000 1.079 155 G CA -0.248 44.804 45.100 -0.081 0.000 0.807 155 G HN 0.037 nan 8.290 nan 0.000 0.492 156 V N 1.380 121.218 119.914 -0.127 0.000 2.470 156 V HA 0.289 4.665 4.120 0.426 0.000 0.276 156 V C -1.164 174.904 176.094 -0.044 0.000 1.040 156 V CA -1.115 61.125 62.300 -0.100 0.000 1.008 156 V CB 1.121 32.733 31.823 -0.351 0.000 0.990 156 V HN 0.262 nan 8.190 nan 0.000 0.477 157 P HA 0.013 nan 4.420 nan 0.000 0.264 157 P C 0.666 177.973 177.300 0.011 0.000 1.183 157 P CA 0.278 63.394 63.100 0.028 0.000 0.763 157 P CB 0.665 32.407 31.700 0.070 0.000 0.807 158 A N 4.105 126.922 122.820 -0.004 0.000 2.032 158 A HA -0.254 4.322 4.320 0.426 0.000 0.221 158 A C 1.730 179.312 177.584 -0.003 0.000 1.165 158 A CA 1.828 53.858 52.037 -0.012 0.000 0.645 158 A CB -0.911 18.082 19.000 -0.012 0.000 0.807 158 A HN 0.594 nan 8.150 nan 0.000 0.453 159 E N 0.539 120.748 120.200 0.014 0.000 2.106 159 E HA -0.130 4.475 4.350 0.426 0.000 0.192 159 E C 0.990 177.603 176.600 0.022 0.000 0.984 159 E CA 1.246 57.658 56.400 0.021 0.000 0.806 159 E CB -0.225 29.496 29.700 0.036 0.000 0.750 159 E HN 0.525 nan 8.360 nan 0.000 0.458 160 D N 0.135 120.558 120.400 0.038 0.000 2.349 160 D HA 0.034 4.929 4.640 0.426 0.000 0.224 160 D C 1.466 177.749 176.300 -0.029 0.000 1.029 160 D CA 0.220 54.230 54.000 0.018 0.000 0.879 160 D CB 0.115 40.973 40.800 0.098 0.000 0.906 160 D HN 0.152 nan 8.370 nan 0.000 0.528 161 R N 0.903 121.389 120.500 -0.023 0.000 2.055 161 R HA -0.085 4.511 4.340 0.426 0.000 0.226 161 R C 1.832 178.121 176.300 -0.018 0.000 1.135 161 R CA 1.353 57.441 56.100 -0.021 0.000 0.959 161 R CB -0.100 30.174 30.300 -0.044 0.000 0.854 161 R HN 0.172 nan 8.270 nan 0.000 0.431 162 D N 0.934 121.301 120.400 -0.055 0.000 2.158 162 D HA -0.216 4.679 4.640 0.426 0.000 0.197 162 D C 1.156 177.334 176.300 -0.204 0.000 0.995 162 D CA 1.388 55.327 54.000 -0.101 0.000 0.846 162 D CB -0.573 40.175 40.800 -0.085 0.000 0.941 162 D HN 0.111 nan 8.370 nan 0.000 0.456 163 D N -0.290 119.989 120.400 -0.203 0.000 2.097 163 D HA -0.133 4.762 4.640 0.426 0.000 0.195 163 D C 1.859 177.857 176.300 -0.503 0.000 0.989 163 D CA 0.610 54.384 54.000 -0.376 0.000 0.827 163 D CB -0.690 40.050 40.800 -0.100 0.000 0.966 163 D HN 0.240 nan 8.370 nan 0.000 0.456 164 F N 1.902 121.652 119.950 -0.333 0.000 2.095 164 F HA -0.244 4.537 4.527 0.424 0.000 0.298 164 F C 2.566 178.244 175.800 -0.203 0.000 1.104 164 F CA 1.466 59.332 58.000 -0.223 0.000 1.232 164 F CB -0.113 38.769 39.000 -0.197 0.000 0.987 164 F HN -0.157 nan 8.300 nan 0.000 0.475 165 S N 0.407 116.101 115.700 -0.010 0.000 2.370 165 S HA -0.241 4.484 4.470 0.426 0.000 0.226 165 S C 2.300 176.771 174.600 -0.216 0.000 1.033 165 S CA 1.083 59.233 58.200 -0.083 0.000 1.011 165 S CB -0.987 62.179 63.200 -0.056 0.000 0.852 165 S HN 0.553 nan 8.310 nan 0.000 0.457 166 A N 1.205 123.783 122.820 -0.404 0.000 1.873 166 A HA -0.181 4.395 4.320 0.426 0.000 0.218 166 A C 1.890 179.230 177.584 -0.407 0.000 1.193 166 A CA 1.761 53.472 52.037 -0.543 0.000 0.629 166 A CB -1.279 17.140 19.000 -0.968 0.000 0.826 166 A HN 0.775 nan 8.150 nan 0.000 0.447 167 W N -0.684 120.532 121.300 -0.140 0.000 2.699 167 W HA 0.095 5.009 4.660 0.424 0.000 0.249 167 W C 2.681 179.090 176.519 -0.185 0.000 1.280 167 W CA 0.434 57.682 57.345 -0.162 0.000 1.345 167 W CB -0.184 29.157 29.460 -0.198 0.000 1.128 167 W HN 0.339 nan 8.180 nan 0.000 0.642 168 S N 0.120 115.769 115.700 -0.086 0.000 2.377 168 S HA -0.140 4.586 4.470 0.426 0.000 0.223 168 S C 2.034 176.661 174.600 0.045 0.000 1.030 168 S CA 1.687 59.850 58.200 -0.062 0.000 0.970 168 S CB -0.518 62.607 63.200 -0.125 0.000 0.830 168 S HN 0.107 nan 8.310 nan 0.000 0.473 169 S N 1.036 116.747 115.700 0.020 0.000 2.383 169 S HA -0.074 4.651 4.470 0.426 0.000 0.229 169 S C 1.850 176.435 174.600 -0.024 0.000 1.030 169 S CA 1.326 59.520 58.200 -0.010 0.000 1.002 169 S CB -0.477 62.707 63.200 -0.027 0.000 0.829 169 S HN 0.422 nan 8.310 nan 0.000 0.467 170 V N 2.045 121.971 119.914 0.019 0.000 2.392 170 V HA -0.153 4.222 4.120 0.426 0.000 0.249 170 V C 2.055 178.157 176.094 0.014 0.000 1.059 170 V CA 1.418 63.742 62.300 0.040 0.000 1.051 170 V CB -0.687 31.207 31.823 0.119 0.000 0.658 170 V HN 0.458 nan 8.190 nan 0.000 0.455 171 L N -0.247 120.983 121.223 0.013 0.000 2.291 171 L HA -0.034 4.561 4.340 0.426 0.000 0.214 171 L C 1.332 178.179 176.870 -0.037 0.000 1.120 171 L CA 0.739 55.578 54.840 -0.002 0.000 0.799 171 L CB -0.177 41.891 42.059 0.015 0.000 0.925 171 L HN 0.243 nan 8.230 nan 0.000 0.446 172 V N -0.268 119.600 119.914 -0.078 0.000 3.021 172 V HA 0.097 4.472 4.120 0.426 0.000 0.385 172 V C -0.637 175.370 176.094 -0.146 0.000 1.303 172 V CA -0.431 61.771 62.300 -0.164 0.000 1.471 172 V CB -1.036 30.579 31.823 -0.346 0.000 1.419 172 V HN 0.389 nan 8.190 nan 0.000 0.551 173 D N 1.689 122.040 120.400 -0.083 0.000 3.508 173 D HA -0.161 4.734 4.640 0.426 0.000 0.232 173 D C 0.507 176.776 176.300 -0.050 0.000 1.131 173 D CA 0.673 54.637 54.000 -0.060 0.000 1.040 173 D CB -0.083 40.680 40.800 -0.061 0.000 0.879 173 D HN 0.418 nan 8.370 nan 0.000 0.407 174 D N -0.500 119.882 120.400 -0.029 0.000 2.394 174 D HA 0.083 4.978 4.640 0.426 0.000 0.237 174 D C 1.414 177.712 176.300 -0.004 0.000 1.028 174 D CA 1.309 55.303 54.000 -0.010 0.000 0.937 174 D CB 0.094 40.896 40.800 0.003 0.000 1.072 174 D HN 0.457 nan 8.370 nan 0.000 0.457 175 S N -0.009 115.691 115.700 -0.000 0.000 2.894 175 S HA 0.599 5.324 4.470 0.426 0.000 0.298 175 S C -2.567 172.030 174.600 -0.005 0.000 1.054 175 S CA -1.023 57.178 58.200 0.000 0.000 0.903 175 S CB 0.661 63.866 63.200 0.008 0.000 1.356 175 S HN -0.113 nan 8.310 nan 0.000 0.626 176 P HA 0.194 nan 4.420 nan 0.000 0.271 176 P C -0.076 177.218 177.300 -0.010 0.000 1.238 176 P CA -0.041 63.053 63.100 -0.009 0.000 0.794 176 P CB 0.154 31.849 31.700 -0.007 0.000 0.959 177 A N 0.543 123.354 122.820 -0.014 0.000 2.327 177 A HA -0.002 4.574 4.320 0.426 0.000 0.228 177 A C 1.091 178.664 177.584 -0.018 0.000 1.275 177 A CA 0.261 52.289 52.037 -0.016 0.000 0.875 177 A CB -0.836 18.153 19.000 -0.019 0.000 0.925 177 A HN 0.407 nan 8.150 nan 0.000 0.493 178 D N 0.625 121.016 120.400 -0.016 0.000 2.183 178 D HA -0.095 4.801 4.640 0.426 0.000 0.205 178 D C 0.706 176.993 176.300 -0.022 0.000 0.962 178 D CA 1.042 55.031 54.000 -0.020 0.000 0.849 178 D CB -0.240 40.550 40.800 -0.017 0.000 0.978 178 D HN 0.408 nan 8.370 nan 0.000 0.488 179 D N 1.549 121.940 120.400 -0.014 0.000 2.137 179 D HA -0.066 4.829 4.640 0.426 0.000 0.202 179 D C 1.849 178.141 176.300 -0.014 0.000 0.970 179 D CA 0.663 54.656 54.000 -0.011 0.000 0.837 179 D CB -0.211 40.595 40.800 0.010 0.000 0.981 179 D HN 0.242 nan 8.370 nan 0.000 0.475 180 K N 0.796 121.191 120.400 -0.008 0.000 2.103 180 K HA -0.138 4.437 4.320 0.426 0.000 0.207 180 K C 1.865 178.453 176.600 -0.021 0.000 1.048 180 K CA 1.021 57.304 56.287 -0.008 0.000 0.930 180 K CB -0.312 32.184 32.500 -0.008 0.000 0.716 180 K HN 0.090 nan 8.250 nan 0.000 0.444 181 N N 0.179 118.863 118.700 -0.027 0.000 2.272 181 N HA -0.162 4.833 4.740 0.426 0.000 0.185 181 N C 1.498 176.979 175.510 -0.048 0.000 1.014 181 N CA 1.076 54.105 53.050 -0.036 0.000 0.870 181 N CB 0.064 38.529 38.487 -0.037 0.000 0.975 181 N HN 0.276 nan 8.380 nan 0.000 0.433 182 A N -0.519 122.267 122.820 -0.057 0.000 2.140 182 A HA 0.431 5.006 4.320 0.426 0.000 0.209 182 A C 2.011 179.529 177.584 -0.111 0.000 1.181 182 A CA 0.552 52.539 52.037 -0.083 0.000 0.824 182 A CB -0.157 18.790 19.000 -0.088 0.000 0.879 182 A HN 0.279 nan 8.150 nan 0.000 0.480 183 A N -0.255 122.513 122.820 -0.087 0.000 1.969 183 A HA -0.069 4.507 4.320 0.426 0.000 0.218 183 A C 2.091 179.636 177.584 -0.065 0.000 1.169 183 A CA 1.602 53.584 52.037 -0.093 0.000 0.635 183 A CB -0.488 18.514 19.000 0.003 0.000 0.810 183 A HN 0.397 nan 8.150 nan 0.000 0.445 184 M N -0.555 119.026 119.600 -0.032 0.000 2.108 184 M HA -0.136 4.600 4.480 0.426 0.000 0.261 184 M C 2.291 178.604 176.300 0.021 0.000 1.066 184 M CA 1.640 56.943 55.300 0.005 0.000 1.107 184 M CB -1.630 30.974 32.600 0.006 0.000 1.356 184 M HN 0.497 nan 8.290 nan 0.000 0.406 185 G N 0.062 108.840 108.800 -0.037 0.000 2.408 185 G HA2 -0.179 4.037 3.960 0.426 0.000 0.217 185 G HA3 -0.179 4.037 3.960 0.426 0.000 0.217 185 G C 1.826 176.712 174.900 -0.024 0.000 1.150 185 G CA 0.486 45.557 45.100 -0.048 0.000 0.776 185 G HN 0.294 nan 8.290 nan 0.000 0.542 186 K N 0.196 120.532 120.400 -0.107 0.000 2.001 186 K HA 0.099 4.674 4.320 0.426 0.000 0.208 186 K C 2.562 179.150 176.600 -0.021 0.000 1.048 186 K CA 0.598 56.779 56.287 -0.177 0.000 0.932 186 K CB -0.692 31.502 32.500 -0.510 0.000 0.715 186 K HN 0.316 nan 8.250 nan 0.000 0.437 187 L N 0.499 121.723 121.223 0.003 0.000 2.083 187 L HA -0.189 4.407 4.340 0.426 0.000 0.209 187 L C 2.767 179.757 176.870 0.199 0.000 1.083 187 L CA 1.182 56.085 54.840 0.105 0.000 0.752 187 L CB -0.528 41.532 42.059 0.001 0.000 0.899 187 L HN 0.339 nan 8.230 nan 0.000 0.433 188 H N 0.177 119.285 119.070 0.064 0.000 2.321 188 H HA -0.133 4.678 4.556 0.425 0.000 0.300 188 H C 2.029 177.394 175.328 0.061 0.000 1.087 188 H CA 1.874 57.958 56.048 0.061 0.000 1.319 188 H CB -0.097 29.680 29.762 0.026 0.000 1.379 188 H HN 0.318 nan 8.280 nan 0.000 0.501 189 G N -0.416 108.543 108.800 0.264 0.000 2.421 189 G HA2 -0.330 3.885 3.960 0.426 0.000 0.216 189 G HA3 -0.330 3.885 3.960 0.426 0.000 0.216 189 G C 1.780 176.759 174.900 0.132 0.000 1.171 189 G CA 0.852 46.056 45.100 0.174 0.000 0.775 189 G HN 0.537 nan 8.290 nan 0.000 0.543 190 Y N 1.190 121.534 120.300 0.073 0.000 2.097 190 Y HA -0.089 4.715 4.550 0.425 0.000 0.282 190 Y C 2.591 178.549 175.900 0.098 0.000 1.152 190 Y CA 1.624 59.786 58.100 0.103 0.000 1.136 190 Y CB -0.360 38.203 38.460 0.172 0.000 0.975 190 Y HN 0.116 nan 8.280 nan 0.000 0.498 191 L N -1.100 120.154 121.223 0.052 0.000 2.046 191 L HA -0.238 4.357 4.340 0.426 0.000 0.208 191 L C 2.769 179.552 176.870 -0.144 0.000 1.077 191 L CA 1.489 56.295 54.840 -0.056 0.000 0.747 191 L CB -0.908 41.197 42.059 0.076 0.000 0.896 191 L HN 0.159 nan 8.230 nan 0.000 0.432 192 S N -0.209 115.414 115.700 -0.129 0.000 2.372 192 S HA -0.238 4.487 4.470 0.426 0.000 0.227 192 S C 1.571 176.112 174.600 -0.099 0.000 1.044 192 S CA 1.935 60.069 58.200 -0.109 0.000 1.050 192 S CB -0.242 62.929 63.200 -0.048 0.000 0.901 192 S HN 0.460 nan 8.310 nan 0.000 0.447 193 D N 0.748 121.075 120.400 -0.123 0.000 2.149 193 D HA 0.012 4.907 4.640 0.426 0.000 0.201 193 D C 1.952 178.142 176.300 -0.183 0.000 0.972 193 D CA 0.388 54.311 54.000 -0.128 0.000 0.835 193 D CB -0.444 40.291 40.800 -0.107 0.000 0.966 193 D HN 0.301 nan 8.370 nan 0.000 0.476 194 L N 0.493 121.527 121.223 -0.315 0.000 2.017 194 L HA -0.158 4.437 4.340 0.426 0.000 0.208 194 L C 2.121 178.897 176.870 -0.157 0.000 1.073 194 L CA 0.724 55.387 54.840 -0.295 0.000 0.745 194 L CB -0.121 41.683 42.059 -0.425 0.000 0.894 194 L HN 0.073 nan 8.230 nan 0.000 0.432 195 L N 0.028 121.172 121.223 -0.131 0.000 2.081 195 L HA -0.260 4.335 4.340 0.426 0.000 0.212 195 L C 2.681 179.513 176.870 -0.064 0.000 1.080 195 L CA 1.722 56.513 54.840 -0.081 0.000 0.754 195 L CB -1.296 40.722 42.059 -0.069 0.000 0.893 195 L HN 0.376 nan 8.230 nan 0.000 0.433 196 E N -0.502 119.658 120.200 -0.067 0.000 2.077 196 E HA -0.205 4.400 4.350 0.426 0.000 0.193 196 E C 2.218 178.791 176.600 -0.045 0.000 0.989 196 E CA 0.875 57.246 56.400 -0.048 0.000 0.800 196 E CB -0.148 29.526 29.700 -0.044 0.000 0.746 196 E HN 0.542 nan 8.360 nan 0.000 0.452 197 R N 0.656 121.121 120.500 -0.058 0.000 2.115 197 R HA -0.035 4.560 4.340 0.426 0.000 0.230 197 R C 2.245 178.521 176.300 -0.041 0.000 1.111 197 R CA 0.684 56.756 56.100 -0.047 0.000 0.976 197 R CB 0.013 30.281 30.300 -0.054 0.000 0.870 197 R HN -0.010 nan 8.270 nan 0.000 0.445 198 K N 0.661 121.032 120.400 -0.048 0.000 2.103 198 K HA -0.108 4.467 4.320 0.426 0.000 0.204 198 K C 1.956 178.538 176.600 -0.031 0.000 1.052 198 K CA 0.873 57.137 56.287 -0.040 0.000 0.945 198 K CB -0.252 32.221 32.500 -0.044 0.000 0.722 198 K HN 0.153 nan 8.250 nan 0.000 0.443 199 R N 0.931 121.413 120.500 -0.030 0.000 2.091 199 R HA -0.105 4.490 4.340 0.426 0.000 0.238 199 R C 1.692 177.981 176.300 -0.019 0.000 1.136 199 R CA 1.917 58.003 56.100 -0.023 0.000 0.959 199 R CB -0.128 30.160 30.300 -0.021 0.000 0.856 199 R HN 0.107 nan 8.270 nan 0.000 0.437 200 T N -0.583 113.959 114.554 -0.020 0.000 2.942 200 T HA -0.059 4.546 4.350 0.426 0.000 0.265 200 T C 0.512 175.203 174.700 -0.015 0.000 1.062 200 T CA 0.859 62.950 62.100 -0.015 0.000 1.139 200 T CB 0.089 68.948 68.868 -0.015 0.000 0.883 200 T HN 0.288 nan 8.240 nan 0.000 0.468 201 E N 1.798 121.987 120.200 -0.018 0.000 2.873 201 E HA 0.243 4.849 4.350 0.426 0.000 0.232 201 E C -2.872 173.716 176.600 -0.020 0.000 1.123 201 E CA -2.431 53.959 56.400 -0.017 0.000 0.809 201 E CB 1.099 30.789 29.700 -0.016 0.000 1.366 201 E HN 0.099 nan 8.360 nan 0.000 0.400 202 P HA -0.000 nan 4.420 nan 0.000 0.265 202 P C -0.917 176.370 177.300 -0.022 0.000 1.187 202 P CA 0.318 63.406 63.100 -0.021 0.000 0.766 202 P CB 0.654 32.343 31.700 -0.017 0.000 0.820 203 D N 0.073 120.457 120.400 -0.026 0.000 2.732 203 D HA 0.227 5.123 4.640 0.426 0.000 0.292 203 D C -0.184 176.097 176.300 -0.032 0.000 1.135 203 D CA -0.484 53.500 54.000 -0.028 0.000 1.071 203 D CB -0.130 40.652 40.800 -0.030 0.000 1.457 203 D HN 0.008 nan 8.370 nan 0.000 0.547 204 D N -0.874 119.505 120.400 -0.034 0.000 2.349 204 D HA 0.320 5.215 4.640 0.426 0.000 0.224 204 D C 0.490 176.758 176.300 -0.052 0.000 1.029 204 D CA 0.231 54.208 54.000 -0.039 0.000 0.879 204 D CB 0.025 40.804 40.800 -0.035 0.000 0.906 204 D HN 0.529 nan 8.370 nan 0.000 0.528 205 A N -0.039 122.748 122.820 -0.056 0.000 2.274 205 A HA 0.370 4.945 4.320 0.426 0.000 0.297 205 A C 1.150 178.687 177.584 -0.079 0.000 1.191 205 A CA -0.481 51.513 52.037 -0.072 0.000 0.889 205 A CB 0.350 19.308 19.000 -0.070 0.000 1.294 205 A HN 0.106 nan 8.150 nan 0.000 0.506 206 L N -0.510 120.655 121.223 -0.096 0.000 2.109 206 L HA -0.016 4.579 4.340 0.426 0.000 0.207 206 L C 2.112 178.950 176.870 -0.052 0.000 1.086 206 L CA 1.512 56.291 54.840 -0.100 0.000 0.760 206 L CB -0.590 41.385 42.059 -0.141 0.000 0.910 206 L HN 0.718 nan 8.230 nan 0.000 0.437 207 L N -1.418 119.779 121.223 -0.044 0.000 2.046 207 L HA -0.220 4.376 4.340 0.426 0.000 0.208 207 L C 2.711 179.563 176.870 -0.029 0.000 1.077 207 L CA 1.525 56.347 54.840 -0.029 0.000 0.747 207 L CB -0.825 41.212 42.059 -0.038 0.000 0.896 207 L HN 0.350 nan 8.230 nan 0.000 0.432 208 S N -0.872 114.806 115.700 -0.036 0.000 2.359 208 S HA -0.252 4.474 4.470 0.426 0.000 0.224 208 S C 2.324 176.909 174.600 -0.025 0.000 1.035 208 S CA 1.891 60.072 58.200 -0.031 0.000 1.018 208 S CB -0.234 62.946 63.200 -0.034 0.000 0.876 208 S HN 0.419 nan 8.310 nan 0.000 0.448 209 S N 0.688 116.370 115.700 -0.030 0.000 2.359 209 S HA -0.028 4.698 4.470 0.426 0.000 0.224 209 S C 1.817 176.412 174.600 -0.008 0.000 1.035 209 S CA 1.531 59.717 58.200 -0.024 0.000 1.018 209 S CB -0.627 62.550 63.200 -0.039 0.000 0.876 209 S HN 0.592 nan 8.310 nan 0.000 0.448 210 L N 0.892 122.114 121.223 -0.002 0.000 2.353 210 L HA -0.052 4.544 4.340 0.426 0.000 0.220 210 L C 2.069 178.943 176.870 0.007 0.000 1.133 210 L CA 0.671 55.520 54.840 0.015 0.000 0.798 210 L CB -0.409 41.666 42.059 0.027 0.000 0.922 210 L HN 0.365 nan 8.230 nan 0.000 0.445 211 L N -1.002 120.219 121.223 -0.003 0.000 2.270 211 L HA -0.032 4.564 4.340 0.426 0.000 0.210 211 L C 2.752 179.620 176.870 -0.003 0.000 1.104 211 L CA 0.683 55.520 54.840 -0.005 0.000 0.804 211 L CB -0.562 41.489 42.059 -0.012 0.000 0.937 211 L HN 0.176 nan 8.230 nan 0.000 0.450 212 A N -0.240 122.577 122.820 -0.004 0.000 1.929 212 A HA 0.013 4.588 4.320 0.426 0.000 0.216 212 A C 1.225 178.810 177.584 0.001 0.000 1.176 212 A CA 0.119 52.154 52.037 -0.003 0.000 0.628 212 A CB -0.497 18.500 19.000 -0.005 0.000 0.816 212 A HN 0.077 nan 8.150 nan 0.000 0.444 213 V N 1.660 121.577 119.914 0.005 0.000 2.678 213 V HA 0.100 4.476 4.120 0.426 0.000 0.304 213 V C -0.022 176.076 176.094 0.005 0.000 1.086 213 V CA 0.996 63.301 62.300 0.008 0.000 1.246 213 V CB -0.010 31.822 31.823 0.015 0.000 0.861 213 V HN 0.415 nan 8.190 nan 0.000 0.491 214 S N 2.654 118.356 115.700 0.004 0.000 2.545 214 S HA 0.236 4.961 4.470 0.426 0.000 0.259 214 S C -0.659 173.942 174.600 0.002 0.000 1.092 214 S CA -1.132 57.070 58.200 0.003 0.000 1.054 214 S CB 1.068 64.269 63.200 0.001 0.000 1.146 214 S HN 1.012 nan 8.310 nan 0.000 0.447 215 D N 1.725 122.126 120.400 0.001 0.000 2.384 215 D HA 0.108 5.003 4.640 0.426 0.000 0.244 215 D C 1.391 177.691 176.300 0.000 0.000 1.251 215 D CA -0.483 53.518 54.000 0.000 0.000 0.961 215 D CB 0.652 41.452 40.800 -0.001 0.000 1.116 215 D HN 0.438 nan 8.370 nan 0.000 0.484 216 E N 0.128 120.328 120.200 -0.000 0.000 2.204 216 E HA -0.229 4.377 4.350 0.426 0.000 0.195 216 E C 0.340 176.940 176.600 0.000 0.000 0.990 216 E CA 1.015 57.415 56.400 -0.000 0.000 0.821 216 E CB -0.477 29.223 29.700 -0.000 0.000 0.750 216 E HN 0.542 nan 8.360 nan 0.000 0.477 217 D N 0.764 121.164 120.400 0.000 0.000 2.338 217 D HA 0.068 4.963 4.640 0.426 0.000 0.239 217 D C 0.884 177.185 176.300 0.001 0.000 1.095 217 D CA 0.955 54.955 54.000 0.001 0.000 0.888 217 D CB 0.251 41.052 40.800 0.001 0.000 0.899 217 D HN 0.492 nan 8.370 nan 0.000 0.525 218 G N 1.699 110.499 108.800 0.001 0.000 2.179 218 G HA2 -0.281 3.934 3.960 0.426 0.000 0.260 218 G HA3 -0.281 3.934 3.960 0.426 0.000 0.260 218 G C 0.322 175.223 174.900 0.002 0.000 0.977 218 G CA 0.188 45.289 45.100 0.001 0.000 0.641 218 G HN 0.371 nan 8.290 nan 0.000 0.533 219 D N 1.130 121.531 120.400 0.002 0.000 2.443 219 D HA 0.434 5.329 4.640 0.426 0.000 0.234 219 D C 0.991 177.293 176.300 0.003 0.000 1.172 219 D CA 0.890 54.892 54.000 0.002 0.000 0.878 219 D CB 0.260 41.061 40.800 0.001 0.000 1.204 219 D HN 0.901 nan 8.370 nan 0.000 0.453 220 R N 1.309 121.812 120.500 0.004 0.000 2.712 220 R HA 0.372 4.968 4.340 0.426 0.000 0.272 220 R C -1.055 175.249 176.300 0.007 0.000 1.032 220 R CA -0.978 55.126 56.100 0.005 0.000 0.874 220 R CB 0.175 30.478 30.300 0.004 0.000 1.256 220 R HN 0.271 nan 8.270 nan 0.000 0.468 221 L N 2.533 123.761 121.223 0.009 0.000 2.410 221 L HA 0.198 4.793 4.340 0.426 0.000 0.273 221 L C 0.824 177.701 176.870 0.011 0.000 1.144 221 L CA -0.333 54.514 54.840 0.012 0.000 0.863 221 L CB 1.191 43.259 42.059 0.015 0.000 1.140 221 L HN 0.852 nan 8.230 nan 0.000 0.463 222 S N 2.037 117.745 115.700 0.014 0.000 2.580 222 S HA -0.034 4.692 4.470 0.426 0.000 0.266 222 S C 0.862 175.470 174.600 0.012 0.000 1.354 222 S CA -0.436 57.772 58.200 0.014 0.000 1.008 222 S CB 1.006 64.218 63.200 0.020 0.000 0.898 222 S HN 0.719 nan 8.310 nan 0.000 0.555 223 Q N 0.596 120.402 119.800 0.010 0.000 2.096 223 Q HA -0.199 4.397 4.340 0.426 0.000 0.204 223 Q C 1.660 177.664 176.000 0.006 0.000 0.982 223 Q CA 2.196 58.001 55.803 0.004 0.000 0.850 223 Q CB -0.426 28.317 28.738 0.007 0.000 0.901 223 Q HN 0.864 nan 8.270 nan 0.000 0.422 224 E N 0.455 120.673 120.200 0.029 0.000 2.072 224 E HA -0.130 4.475 4.350 0.426 0.000 0.191 224 E C 1.893 178.518 176.600 0.041 0.000 0.985 224 E CA 1.165 57.596 56.400 0.052 0.000 0.801 224 E CB -0.111 29.630 29.700 0.068 0.000 0.750 224 E HN 0.441 nan 8.360 nan 0.000 0.452 225 E N 0.208 120.429 120.200 0.034 0.000 2.110 225 E HA -0.147 4.459 4.350 0.426 0.000 0.193 225 E C 2.022 178.638 176.600 0.026 0.000 0.988 225 E CA 0.681 57.102 56.400 0.035 0.000 0.804 225 E CB -0.118 29.601 29.700 0.031 0.000 0.745 225 E HN 0.187 nan 8.360 nan 0.000 0.458 226 L N 0.266 121.496 121.223 0.011 0.000 2.017 226 L HA -0.197 4.398 4.340 0.426 0.000 0.208 226 L C 2.422 179.288 176.870 -0.008 0.000 1.073 226 L CA 0.872 55.715 54.840 0.005 0.000 0.745 226 L CB -0.342 41.712 42.059 -0.008 0.000 0.894 226 L HN 0.057 nan 8.230 nan 0.000 0.432 227 V N -0.201 119.683 119.914 -0.050 0.000 2.358 227 V HA -0.267 4.109 4.120 0.426 0.000 0.246 227 V C 2.715 178.788 176.094 -0.035 0.000 1.047 227 V CA 1.696 63.929 62.300 -0.112 0.000 1.035 227 V CB -0.994 30.618 31.823 -0.352 0.000 0.658 227 V HN 0.479 nan 8.190 nan 0.000 0.452 228 A N -0.365 122.465 122.820 0.016 0.000 1.908 228 A HA -0.290 4.285 4.320 0.426 0.000 0.218 228 A C 2.182 179.808 177.584 0.070 0.000 1.181 228 A CA 2.497 54.573 52.037 0.066 0.000 0.627 228 A CB -0.549 18.498 19.000 0.080 0.000 0.818 228 A HN 0.476 nan 8.150 nan 0.000 0.445 229 M N 0.100 119.737 119.600 0.062 0.000 2.117 229 M HA -0.013 4.722 4.480 0.426 0.000 0.262 229 M C 2.164 178.522 176.300 0.095 0.000 1.065 229 M CA 1.753 57.099 55.300 0.076 0.000 1.114 229 M CB -0.568 32.074 32.600 0.070 0.000 1.361 229 M HN 0.375 nan 8.290 nan 0.000 0.408 230 A N -0.061 122.810 122.820 0.085 0.000 1.902 230 A HA -0.166 4.410 4.320 0.426 0.000 0.217 230 A C 2.132 179.800 177.584 0.141 0.000 1.181 230 A CA 1.951 54.055 52.037 0.111 0.000 0.623 230 A CB -0.648 18.406 19.000 0.090 0.000 0.818 230 A HN 0.553 nan 8.150 nan 0.000 0.443 231 M N -1.079 118.592 119.600 0.118 0.000 2.117 231 M HA -0.105 4.630 4.480 0.426 0.000 0.262 231 M C 2.203 178.575 176.300 0.120 0.000 1.065 231 M CA 1.257 56.631 55.300 0.124 0.000 1.114 231 M CB -1.360 31.305 32.600 0.108 0.000 1.361 231 M HN 0.477 nan 8.290 nan 0.000 0.408 232 L N 0.825 122.113 121.223 0.110 0.000 2.012 232 L HA -0.168 4.427 4.340 0.426 0.000 0.210 232 L C 2.188 179.129 176.870 0.118 0.000 1.073 232 L CA 1.760 56.663 54.840 0.105 0.000 0.748 232 L CB -0.851 41.266 42.059 0.096 0.000 0.891 232 L HN 0.232 nan 8.230 nan 0.000 0.431 233 L N -1.359 119.946 121.223 0.137 0.000 2.046 233 L HA -0.218 4.377 4.340 0.426 0.000 0.208 233 L C 2.518 179.489 176.870 0.168 0.000 1.077 233 L CA 1.109 56.046 54.840 0.161 0.000 0.747 233 L CB -0.799 41.380 42.059 0.199 0.000 0.896 233 L HN 0.376 nan 8.230 nan 0.000 0.432 234 L N 0.260 121.591 121.223 0.180 0.000 1.989 234 L HA -0.208 4.387 4.340 0.426 0.000 0.211 234 L C 2.321 179.297 176.870 0.176 0.000 1.071 234 L CA 1.865 56.823 54.840 0.196 0.000 0.749 234 L CB -0.363 41.826 42.059 0.218 0.000 0.890 234 L HN 0.070 nan 8.230 nan 0.000 0.431 235 I N -0.476 120.179 120.570 0.142 0.000 2.252 235 I HA -0.222 4.204 4.170 0.426 0.000 0.245 235 I C 2.503 178.690 176.117 0.117 0.000 1.102 235 I CA 1.151 62.522 61.300 0.118 0.000 1.385 235 I CB -0.590 37.462 38.000 0.087 0.000 1.064 235 I HN 0.341 nan 8.210 nan 0.000 0.414 236 A N 0.341 123.231 122.820 0.116 0.000 2.066 236 A HA -0.005 4.571 4.320 0.426 0.000 0.218 236 A C 2.226 179.890 177.584 0.133 0.000 1.157 236 A CA 1.648 53.751 52.037 0.110 0.000 0.670 236 A CB -0.871 18.186 19.000 0.096 0.000 0.804 236 A HN 0.478 nan 8.150 nan 0.000 0.453 237 G N -2.834 106.061 108.800 0.158 0.000 3.044 237 G HA2 0.162 4.377 3.960 0.426 0.000 0.223 237 G HA3 0.162 4.377 3.960 0.426 0.000 0.223 237 G C 1.107 176.135 174.900 0.214 0.000 1.123 237 G CA 0.644 45.849 45.100 0.175 0.000 0.765 237 G HN 0.710 nan 8.290 nan 0.000 0.546 238 H N 0.076 119.194 119.070 0.080 0.000 2.272 238 H HA 0.157 4.968 4.556 0.426 0.000 0.320 238 H C 2.254 177.604 175.328 0.038 0.000 1.072 238 H CA 0.929 57.010 56.048 0.055 0.000 1.458 238 H CB 0.257 30.039 29.762 0.033 0.000 1.456 238 H HN 0.285 nan 8.280 nan 0.000 0.551 239 E N 0.025 120.175 120.200 -0.084 0.000 2.085 239 E HA -0.177 4.429 4.350 0.426 0.000 0.194 239 E C 2.161 178.765 176.600 0.007 0.000 0.994 239 E CA 2.010 58.308 56.400 -0.169 0.000 0.801 239 E CB 0.011 29.614 29.700 -0.161 0.000 0.743 239 E HN 0.651 nan 8.360 nan 0.000 0.453 240 T N -1.694 112.901 114.554 0.068 0.000 2.635 240 T HA -0.192 4.414 4.350 0.426 0.000 0.267 240 T C 2.019 176.794 174.700 0.125 0.000 1.040 240 T CA 2.023 64.186 62.100 0.105 0.000 1.156 240 T CB -1.041 67.906 68.868 0.132 0.000 0.863 240 T HN 0.062 nan 8.240 nan 0.000 0.430 241 T N 1.715 116.358 114.554 0.149 0.000 2.821 241 T HA -0.003 4.603 4.350 0.426 0.000 0.267 241 T C 2.188 176.975 174.700 0.144 0.000 1.046 241 T CA 1.054 63.248 62.100 0.157 0.000 1.139 241 T CB -0.680 68.288 68.868 0.166 0.000 0.871 241 T HN 0.251 nan 8.240 nan 0.000 0.454 242 V N 2.854 122.858 119.914 0.149 0.000 2.278 242 V HA -0.242 4.133 4.120 0.426 0.000 0.251 242 V C 2.375 178.562 176.094 0.156 0.000 1.062 242 V CA 1.737 64.138 62.300 0.168 0.000 1.038 242 V CB -0.566 31.350 31.823 0.156 0.000 0.646 242 V HN 0.497 nan 8.190 nan 0.000 0.447 243 N N -0.302 118.478 118.700 0.133 0.000 2.354 243 N HA -0.063 4.932 4.740 0.426 0.000 0.179 243 N C 1.643 177.225 175.510 0.120 0.000 1.021 243 N CA 0.914 54.044 53.050 0.133 0.000 0.887 243 N CB -0.320 38.247 38.487 0.134 0.000 0.974 243 N HN 0.427 nan 8.380 nan 0.000 0.437 244 L N 1.417 122.708 121.223 0.113 0.000 2.012 244 L HA -0.034 4.562 4.340 0.426 0.000 0.210 244 L C 1.877 178.811 176.870 0.107 0.000 1.073 244 L CA 1.391 56.295 54.840 0.106 0.000 0.748 244 L CB -0.626 41.503 42.059 0.116 0.000 0.891 244 L HN 0.035 nan 8.230 nan 0.000 0.431 245 I N -0.412 120.228 120.570 0.116 0.000 2.142 245 I HA -0.201 4.225 4.170 0.426 0.000 0.240 245 I C 2.517 178.693 176.117 0.097 0.000 1.078 245 I CA 1.361 62.732 61.300 0.118 0.000 1.343 245 I CB -1.232 36.834 38.000 0.110 0.000 1.046 245 I HN 0.425 nan 8.210 nan 0.000 0.405 246 G N 0.961 109.820 108.800 0.099 0.000 2.433 246 G HA2 -0.241 3.975 3.960 0.426 0.000 0.216 246 G HA3 -0.241 3.975 3.960 0.426 0.000 0.216 246 G C 1.412 176.345 174.900 0.056 0.000 1.186 246 G CA 0.814 45.960 45.100 0.075 0.000 0.779 246 G HN 0.291 nan 8.290 nan 0.000 0.543 247 N N 1.193 119.939 118.700 0.076 0.000 2.166 247 N HA -0.066 4.929 4.740 0.426 0.000 0.186 247 N C 2.294 177.764 175.510 -0.067 0.000 1.019 247 N CA 1.317 54.414 53.050 0.080 0.000 0.856 247 N CB -0.840 37.730 38.487 0.139 0.000 0.993 247 N HN 0.321 nan 8.380 nan 0.000 0.426 248 G N 0.745 109.420 108.800 -0.209 0.000 2.402 248 G HA2 -0.156 4.059 3.960 0.426 0.000 0.216 248 G HA3 -0.156 4.059 3.960 0.426 0.000 0.216 248 G C 1.702 176.142 174.900 -0.767 0.000 1.162 248 G CA 0.698 45.280 45.100 -0.864 0.000 0.777 248 G HN 0.183 nan 8.290 nan 0.000 0.539 249 V N 0.776 120.556 119.914 -0.224 0.000 2.287 249 V HA -0.157 4.219 4.120 0.426 0.000 0.248 249 V C 2.705 178.818 176.094 0.030 0.000 1.053 249 V CA 1.708 64.042 62.300 0.057 0.000 1.027 249 V CB -0.529 31.407 31.823 0.188 0.000 0.646 249 V HN 0.343 nan 8.190 nan 0.000 0.447 250 L N 0.816 122.042 121.223 0.006 0.000 2.042 250 L HA -0.134 4.461 4.340 0.426 0.000 0.210 250 L C 2.474 179.385 176.870 0.067 0.000 1.076 250 L CA 2.354 57.230 54.840 0.061 0.000 0.749 250 L CB -0.991 41.128 42.059 0.099 0.000 0.893 250 L HN 0.243 nan 8.230 nan 0.000 0.432 251 A N -0.602 122.199 122.820 -0.032 0.000 1.917 251 A HA -0.219 4.356 4.320 0.426 0.000 0.219 251 A C 2.284 179.872 177.584 0.007 0.000 1.182 251 A CA 2.230 54.260 52.037 -0.011 0.000 0.633 251 A CB -0.931 17.940 19.000 -0.216 0.000 0.819 251 A HN 0.510 nan 8.150 nan 0.000 0.448 252 L N -0.769 120.349 121.223 -0.174 0.000 2.056 252 L HA -0.132 4.463 4.340 0.426 0.000 0.207 252 L C 2.514 179.414 176.870 0.051 0.000 1.078 252 L CA 0.907 55.661 54.840 -0.144 0.000 0.749 252 L CB -0.476 41.240 42.059 -0.573 0.000 0.901 252 L HN 0.370 nan 8.230 nan 0.000 0.433 253 L N -0.376 120.934 121.223 0.145 0.000 2.127 253 L HA -0.183 4.413 4.340 0.426 0.000 0.211 253 L C 2.451 179.372 176.870 0.086 0.000 1.089 253 L CA 1.818 56.753 54.840 0.158 0.000 0.757 253 L CB -0.843 41.301 42.059 0.141 0.000 0.899 253 L HN 0.481 nan 8.230 nan 0.000 0.434 254 T N -5.535 109.073 114.554 0.090 0.000 3.086 254 T HA 0.026 4.631 4.350 0.426 0.000 0.250 254 T C 0.277 174.819 174.700 -0.264 0.000 1.074 254 T CA -0.055 62.030 62.100 -0.025 0.000 0.988 254 T CB -0.156 68.719 68.868 0.011 0.000 0.988 254 T HN 0.257 nan 8.240 nan 0.000 0.530 255 H N 1.020 120.080 119.070 -0.016 0.000 2.448 255 H HA 0.376 5.188 4.556 0.427 0.000 0.237 255 H C -2.259 173.050 175.328 -0.033 0.000 1.391 255 H CA -1.894 54.130 56.048 -0.041 0.000 1.477 255 H CB 1.335 31.038 29.762 -0.098 0.000 1.520 255 H HN 0.050 nan 8.280 nan 0.000 0.502 256 P HA -0.235 nan 4.420 nan 0.000 0.216 256 P C 1.385 178.702 177.300 0.028 0.000 1.150 256 P CA 1.524 64.642 63.100 0.031 0.000 0.843 256 P CB 0.439 32.146 31.700 0.012 0.000 0.787 257 D N -0.602 119.815 120.400 0.028 0.000 2.084 257 D HA -0.211 4.684 4.640 0.426 0.000 0.194 257 D C 1.681 177.983 176.300 0.004 0.000 0.990 257 D CA 1.367 55.377 54.000 0.015 0.000 0.826 257 D CB -1.044 39.766 40.800 0.016 0.000 0.971 257 D HN 0.143 nan 8.370 nan 0.000 0.453 258 Q N 0.357 120.162 119.800 0.007 0.000 2.119 258 Q HA -0.083 4.512 4.340 0.426 0.000 0.201 258 Q C 2.374 178.352 176.000 -0.036 0.000 0.972 258 Q CA 0.720 56.505 55.803 -0.031 0.000 0.847 258 Q CB -0.432 28.270 28.738 -0.061 0.000 0.903 258 Q HN 0.471 nan 8.270 nan 0.000 0.433 259 R N 0.876 121.362 120.500 -0.024 0.000 2.081 259 R HA -0.166 4.430 4.340 0.426 0.000 0.235 259 R C 2.057 178.350 176.300 -0.013 0.000 1.131 259 R CA 1.502 57.572 56.100 -0.049 0.000 0.960 259 R CB 0.099 30.399 30.300 0.000 0.000 0.856 259 R HN -0.077 nan 8.270 nan 0.000 0.436 260 K N 0.927 121.330 120.400 0.004 0.000 2.057 260 K HA -0.077 4.499 4.320 0.426 0.000 0.207 260 K C 2.017 178.616 176.600 -0.002 0.000 1.049 260 K CA 1.371 57.664 56.287 0.009 0.000 0.931 260 K CB -0.461 32.044 32.500 0.010 0.000 0.714 260 K HN 0.214 nan 8.250 nan 0.000 0.440 261 L N 0.107 121.321 121.223 -0.015 0.000 2.012 261 L HA -0.202 4.394 4.340 0.426 0.000 0.210 261 L C 2.335 179.191 176.870 -0.024 0.000 1.073 261 L CA 1.043 55.869 54.840 -0.023 0.000 0.748 261 L CB -0.560 41.477 42.059 -0.037 0.000 0.891 261 L HN 0.217 nan 8.230 nan 0.000 0.431 262 L N -0.028 121.175 121.223 -0.033 0.000 2.056 262 L HA -0.127 4.468 4.340 0.426 0.000 0.207 262 L C 2.626 179.496 176.870 0.000 0.000 1.078 262 L CA 1.935 56.758 54.840 -0.029 0.000 0.749 262 L CB -0.664 41.360 42.059 -0.058 0.000 0.901 262 L HN 0.144 nan 8.230 nan 0.000 0.433 263 A N -0.718 122.110 122.820 0.013 0.000 1.908 263 A HA -0.240 4.335 4.320 0.426 0.000 0.218 263 A C 2.175 179.774 177.584 0.025 0.000 1.181 263 A CA 1.969 54.029 52.037 0.037 0.000 0.627 263 A CB -0.632 18.397 19.000 0.049 0.000 0.818 263 A HN 0.618 nan 8.150 nan 0.000 0.445 264 E N -1.085 119.123 120.200 0.013 0.000 2.152 264 E HA -0.101 4.504 4.350 0.426 0.000 0.192 264 E C -0.119 176.485 176.600 0.006 0.000 0.983 264 E CA 0.959 57.364 56.400 0.009 0.000 0.818 264 E CB 0.113 29.815 29.700 0.003 0.000 0.758 264 E HN 0.483 nan 8.360 nan 0.000 0.467 265 D N -0.849 119.552 120.400 0.002 0.000 2.400 265 D HA 0.135 5.031 4.640 0.426 0.000 0.272 265 D C -2.234 174.067 176.300 0.001 0.000 1.220 265 D CA -2.346 51.654 54.000 -0.000 0.000 0.897 265 D CB 1.086 41.881 40.800 -0.008 0.000 1.134 265 D HN -0.243 nan 8.370 nan 0.000 0.507 266 P HA -0.152 nan 4.420 nan 0.000 0.218 266 P C 1.387 178.697 177.300 0.015 0.000 1.146 266 P CA 0.994 64.107 63.100 0.022 0.000 0.813 266 P CB 0.192 31.912 31.700 0.034 0.000 0.778 267 S N -1.065 114.640 115.700 0.009 0.000 2.507 267 S HA -0.085 4.641 4.470 0.426 0.000 0.235 267 S C 1.685 176.280 174.600 -0.008 0.000 0.988 267 S CA 0.702 58.905 58.200 0.005 0.000 0.944 267 S CB -1.470 61.732 63.200 0.005 0.000 0.762 267 S HN 0.124 nan 8.310 nan 0.000 0.526 268 L N 0.327 121.537 121.223 -0.021 0.000 2.622 268 L HA 0.113 4.708 4.340 0.426 0.000 0.233 268 L C 2.223 179.052 176.870 -0.068 0.000 1.156 268 L CA 0.180 54.992 54.840 -0.048 0.000 0.866 268 L CB -0.520 41.503 42.059 -0.060 0.000 0.980 268 L HN 0.329 nan 8.230 nan 0.000 0.448 269 I N -0.723 119.827 120.570 -0.035 0.000 2.208 269 I HA -0.314 4.111 4.170 0.426 0.000 0.245 269 I C 2.623 178.709 176.117 -0.052 0.000 1.097 269 I CA 1.469 62.752 61.300 -0.028 0.000 1.363 269 I CB -0.169 37.851 38.000 0.034 0.000 1.051 269 I HN 0.121 nan 8.210 nan 0.000 0.413 270 S N -0.870 114.815 115.700 -0.026 0.000 2.359 270 S HA -0.231 4.495 4.470 0.426 0.000 0.224 270 S C 2.316 176.878 174.600 -0.063 0.000 1.035 270 S CA 1.882 60.072 58.200 -0.016 0.000 1.018 270 S CB -0.665 62.544 63.200 0.015 0.000 0.876 270 S HN 0.642 nan 8.310 nan 0.000 0.448 271 S N 0.543 116.193 115.700 -0.084 0.000 2.368 271 S HA -0.041 4.684 4.470 0.426 0.000 0.225 271 S C 2.047 176.494 174.600 -0.255 0.000 1.030 271 S CA 1.380 59.510 58.200 -0.116 0.000 0.999 271 S CB -0.660 62.483 63.200 -0.096 0.000 0.844 271 S HN 0.628 nan 8.310 nan 0.000 0.459 272 A N 0.804 123.411 122.820 -0.354 0.000 1.883 272 A HA -0.054 4.521 4.320 0.426 0.000 0.217 272 A C 2.339 179.216 177.584 -1.178 0.000 1.186 272 A CA 1.942 53.522 52.037 -0.762 0.000 0.624 272 A CB -1.153 17.474 19.000 -0.622 0.000 0.822 272 A HN 0.445 nan 8.150 nan 0.000 0.444 273 V N 0.363 119.921 119.914 -0.593 0.000 2.343 273 V HA -0.229 4.146 4.120 0.426 0.000 0.247 273 V C 2.593 178.516 176.094 -0.285 0.000 1.051 273 V CA 2.164 64.285 62.300 -0.298 0.000 1.036 273 V CB -0.748 31.076 31.823 0.000 0.000 0.654 273 V HN 0.532 nan 8.190 nan 0.000 0.451 274 E N -0.001 120.068 120.200 -0.219 0.000 2.085 274 E HA -0.269 4.337 4.350 0.426 0.000 0.194 274 E C 2.202 178.659 176.600 -0.240 0.000 0.994 274 E CA 1.645 57.946 56.400 -0.165 0.000 0.801 274 E CB -0.243 29.485 29.700 0.047 0.000 0.743 274 E HN 0.698 nan 8.360 nan 0.000 0.453 275 E N 0.330 120.365 120.200 -0.275 0.000 2.106 275 E HA -0.109 4.496 4.350 0.426 0.000 0.192 275 E C 1.934 178.480 176.600 -0.091 0.000 0.984 275 E CA 0.899 57.180 56.400 -0.198 0.000 0.806 275 E CB -0.402 29.129 29.700 -0.282 0.000 0.750 275 E HN 0.300 nan 8.360 nan 0.000 0.458 276 F N 0.095 119.984 119.950 -0.102 0.000 2.134 276 F HA -0.143 4.637 4.527 0.421 0.000 0.299 276 F C 2.131 177.878 175.800 -0.089 0.000 1.097 276 F CA 0.428 58.399 58.000 -0.049 0.000 1.264 276 F CB -0.251 38.717 39.000 -0.052 0.000 1.001 276 F HN 0.014 nan 8.300 nan 0.000 0.479 277 L N -0.073 121.048 121.223 -0.170 0.000 2.131 277 L HA -0.205 4.390 4.340 0.426 0.000 0.210 277 L C 2.650 179.311 176.870 -0.348 0.000 1.092 277 L CA 1.179 55.684 54.840 -0.557 0.000 0.759 277 L CB -0.517 40.639 42.059 -1.506 0.000 0.903 277 L HN 0.107 nan 8.230 nan 0.000 0.435 278 R N -0.322 120.107 120.500 -0.118 0.000 2.062 278 R HA -0.176 4.419 4.340 0.426 0.000 0.226 278 R C 2.400 178.871 176.300 0.285 0.000 1.125 278 R CA 1.459 57.751 56.100 0.319 0.000 0.966 278 R CB -0.320 30.235 30.300 0.425 0.000 0.861 278 R HN 0.214 nan 8.270 nan 0.000 0.433 279 F N 0.832 120.827 119.950 0.076 0.000 2.234 279 F HA -0.074 4.710 4.527 0.428 0.000 0.299 279 F C 0.124 175.940 175.800 0.028 0.000 1.087 279 F CA 1.224 59.240 58.000 0.027 0.000 1.340 279 F CB 0.276 39.275 39.000 -0.002 0.000 1.031 279 F HN -0.020 nan 8.300 nan 0.000 0.500 280 D N 0.047 120.531 120.400 0.140 0.000 2.823 280 D HA 0.144 5.040 4.640 0.426 0.000 0.255 280 D C -0.984 175.413 176.300 0.161 0.000 1.257 280 D CA -0.094 53.985 54.000 0.132 0.000 0.803 280 D CB 0.492 41.393 40.800 0.168 0.000 1.384 280 D HN -0.130 nan 8.370 nan 0.000 0.541 281 S N 2.442 118.235 115.700 0.155 0.000 2.546 281 S HA 0.084 4.809 4.470 0.426 0.000 0.290 281 S C -1.237 173.430 174.600 0.112 0.000 1.262 281 S CA -0.685 57.584 58.200 0.116 0.000 1.083 281 S CB 1.120 64.408 63.200 0.148 0.000 0.859 281 S HN 0.401 nan 8.310 nan 0.000 0.495 282 P HA -0.025 nan 4.420 nan 0.000 0.217 282 P C 0.095 177.465 177.300 0.117 0.000 1.151 282 P CA 0.681 63.847 63.100 0.110 0.000 0.828 282 P CB 0.050 31.804 31.700 0.090 0.000 0.788 283 V N 2.365 122.338 119.914 0.099 0.000 2.322 283 V HA 0.054 4.429 4.120 0.426 0.000 0.258 283 V C 1.889 178.055 176.094 0.119 0.000 1.074 283 V CA 0.448 62.815 62.300 0.111 0.000 0.909 283 V CB 0.153 32.036 31.823 0.101 0.000 1.090 283 V HN 0.188 nan 8.190 nan 0.000 0.486 284 S N 3.435 119.225 115.700 0.149 0.000 2.414 284 S HA 0.056 4.782 4.470 0.426 0.000 0.227 284 S C 0.638 175.307 174.600 0.115 0.000 1.022 284 S CA 0.056 58.345 58.200 0.150 0.000 0.958 284 S CB 0.125 63.471 63.200 0.243 0.000 0.797 284 S HN 0.704 nan 8.310 nan 0.000 0.493 285 Q N 0.766 120.650 119.800 0.139 0.000 2.372 285 Q HA 0.752 5.348 4.340 0.426 0.000 0.273 285 Q C -0.855 175.179 176.000 0.057 0.000 1.078 285 Q CA -0.742 55.108 55.803 0.078 0.000 0.806 285 Q CB 1.684 30.476 28.738 0.089 0.000 1.332 285 Q HN 0.259 nan 8.270 nan 0.000 0.435 286 A N 3.225 126.057 122.820 0.020 0.000 2.483 286 A HA 0.472 5.048 4.320 0.426 0.000 0.238 286 A C -1.998 175.566 177.584 -0.034 0.000 1.070 286 A CA -0.704 51.349 52.037 0.027 0.000 0.770 286 A CB -0.697 18.312 19.000 0.014 0.000 1.008 286 A HN 0.450 nan 8.150 nan 0.000 0.497 287 P HA 0.128 nan 4.420 nan 0.000 0.268 287 P C -0.158 177.056 177.300 -0.143 0.000 1.208 287 P CA 0.081 63.145 63.100 -0.059 0.000 0.777 287 P CB 0.207 31.888 31.700 -0.032 0.000 0.875 288 I N 2.066 122.521 120.570 -0.192 0.000 2.845 288 I HA -0.089 4.337 4.170 0.426 0.000 0.296 288 I C 1.457 177.275 176.117 -0.499 0.000 1.216 288 I CA 0.855 61.944 61.300 -0.352 0.000 1.438 288 I CB 0.042 37.791 38.000 -0.419 0.000 1.342 288 I HN 0.238 nan 8.210 nan 0.000 0.577 289 R N 4.899 125.092 120.500 -0.512 0.000 2.720 289 R HA 0.637 5.232 4.340 0.426 0.000 0.272 289 R C -1.418 174.509 176.300 -0.622 0.000 0.991 289 R CA -0.656 55.160 56.100 -0.472 0.000 1.010 289 R CB 1.486 31.629 30.300 -0.263 0.000 1.141 289 R HN 0.285 nan 8.270 nan 0.000 0.494 290 F N -0.088 119.863 119.950 0.001 0.000 2.482 290 F HA 0.254 5.052 4.527 0.451 0.000 0.331 290 F C 0.434 176.195 175.800 -0.065 0.000 1.115 290 F CA -0.974 57.036 58.000 0.018 0.000 0.955 290 F CB 1.982 41.048 39.000 0.110 0.000 1.136 290 F HN 0.403 nan 8.300 nan 0.000 0.452 291 T N -0.426 114.176 114.554 0.080 0.000 2.799 291 T HA 0.419 5.024 4.350 0.426 0.000 0.296 291 T C 0.914 175.543 174.700 -0.118 0.000 0.947 291 T CA -0.277 61.793 62.100 -0.050 0.000 1.141 291 T CB 1.429 70.243 68.868 -0.091 0.000 0.891 291 T HN 0.765 nan 8.240 nan 0.000 0.533 292 A N 3.016 125.659 122.820 -0.295 0.000 2.016 292 A HA 0.204 4.780 4.320 0.426 0.000 0.217 292 A C 0.995 178.475 177.584 -0.172 0.000 1.162 292 A CA 0.630 52.381 52.037 -0.477 0.000 0.662 292 A CB -0.300 18.302 19.000 -0.664 0.000 0.812 292 A HN 0.993 nan 8.150 nan 0.000 0.450 293 E N -0.996 119.129 120.200 -0.125 0.000 2.458 293 E HA 0.392 4.998 4.350 0.426 0.000 0.278 293 E C -1.843 174.708 176.600 -0.082 0.000 1.004 293 E CA -1.108 55.245 56.400 -0.078 0.000 0.823 293 E CB 0.256 29.917 29.700 -0.065 0.000 1.396 293 E HN -0.054 nan 8.360 nan 0.000 0.463 294 D N 0.770 121.125 120.400 -0.075 0.000 2.525 294 D HA 0.243 5.138 4.640 0.426 0.000 0.235 294 D C -0.190 176.056 176.300 -0.091 0.000 1.137 294 D CA 0.323 54.267 54.000 -0.094 0.000 0.868 294 D CB 1.148 41.898 40.800 -0.083 0.000 1.180 294 D HN 0.452 nan 8.370 nan 0.000 0.465 295 V N -0.650 119.204 119.914 -0.100 0.000 2.823 295 V HA 0.779 5.155 4.120 0.426 0.000 0.312 295 V C -0.264 175.788 176.094 -0.070 0.000 1.072 295 V CA -0.694 61.569 62.300 -0.063 0.000 0.937 295 V CB 2.355 34.222 31.823 0.073 0.000 1.013 295 V HN 0.412 nan 8.190 nan 0.000 0.430 296 T N 3.895 118.361 114.554 -0.146 0.000 2.809 296 T HA 0.709 5.314 4.350 0.426 0.000 0.284 296 T C -1.432 173.100 174.700 -0.281 0.000 0.992 296 T CA -0.038 61.983 62.100 -0.132 0.000 0.957 296 T CB 0.848 69.641 68.868 -0.125 0.000 0.942 296 T HN 0.683 nan 8.240 nan 0.000 0.439 297 Y N 0.719 120.979 120.300 -0.066 0.000 2.442 297 Y HA 0.377 5.197 4.550 0.451 0.000 0.344 297 Y C 1.010 176.902 175.900 -0.014 0.000 0.976 297 Y CA -0.877 57.198 58.100 -0.041 0.000 1.040 297 Y CB 2.006 40.436 38.460 -0.050 0.000 1.228 297 Y HN 0.768 nan 8.280 nan 0.000 0.451 298 S N 2.221 117.990 115.700 0.115 0.000 3.521 298 S HA -0.231 4.494 4.470 0.426 0.000 0.362 298 S C 1.293 175.929 174.600 0.061 0.000 1.044 298 S CA 1.314 59.566 58.200 0.086 0.000 1.091 298 S CB -1.518 61.748 63.200 0.109 0.000 0.908 298 S HN 1.675 nan 8.310 nan 0.000 0.473 299 G N -1.923 106.893 108.800 0.028 0.000 2.184 299 G HA2 -0.302 3.913 3.960 0.426 0.000 0.264 299 G HA3 -0.302 3.913 3.960 0.426 0.000 0.264 299 G C 0.102 175.019 174.900 0.028 0.000 0.975 299 G CA 0.159 45.269 45.100 0.017 0.000 0.642 299 G HN 1.198 nan 8.290 nan 0.000 0.536 300 V N 1.242 121.186 119.914 0.049 0.000 2.435 300 V HA 0.632 5.007 4.120 0.426 0.000 0.290 300 V C 0.484 176.578 176.094 0.000 0.000 1.030 300 V CA -0.136 62.199 62.300 0.058 0.000 0.881 300 V CB 1.789 33.685 31.823 0.122 0.000 0.983 300 V HN 0.243 nan 8.190 nan 0.000 0.445 301 T N 6.307 120.836 114.554 -0.042 0.000 2.767 301 T HA 0.592 5.198 4.350 0.426 0.000 0.284 301 T C -0.131 174.380 174.700 -0.315 0.000 0.973 301 T CA -0.072 61.953 62.100 -0.125 0.000 0.996 301 T CB 0.621 69.439 68.868 -0.083 0.000 0.927 301 T HN 0.384 nan 8.240 nan 0.000 0.456 302 I N 6.074 126.372 120.570 -0.454 0.000 2.312 302 I HA 0.295 4.720 4.170 0.426 0.000 0.290 302 I C -2.131 173.712 176.117 -0.457 0.000 1.008 302 I CA -2.620 58.172 61.300 -0.846 0.000 1.226 302 I CB 1.407 38.842 38.000 -0.942 0.000 1.371 302 I HN 0.305 nan 8.210 nan 0.000 0.468 303 P HA 0.069 nan 4.420 nan 0.000 0.270 303 P C -0.335 176.893 177.300 -0.120 0.000 1.223 303 P CA -0.348 62.664 63.100 -0.147 0.000 0.785 303 P CB 0.532 32.208 31.700 -0.041 0.000 0.923 304 A N 1.694 124.474 122.820 -0.067 0.000 2.561 304 A HA 0.388 4.963 4.320 0.426 0.000 0.234 304 A C 1.514 179.106 177.584 0.013 0.000 1.055 304 A CA 0.893 52.909 52.037 -0.035 0.000 0.756 304 A CB -1.514 17.472 19.000 -0.023 0.000 0.986 304 A HN 0.893 nan 8.150 nan 0.000 0.505 305 G N 0.592 109.421 108.800 0.050 0.000 2.176 305 G HA2 -0.174 4.041 3.960 0.426 0.000 0.253 305 G HA3 -0.174 4.041 3.960 0.426 0.000 0.253 305 G C 0.081 175.084 174.900 0.173 0.000 0.979 305 G CA 0.402 45.569 45.100 0.112 0.000 0.641 305 G HN 0.814 nan 8.290 nan 0.000 0.530 306 E N 0.126 120.407 120.200 0.135 0.000 2.318 306 E HA 0.585 5.191 4.350 0.426 0.000 0.265 306 E C 0.860 177.587 176.600 0.212 0.000 1.069 306 E CA -0.339 56.173 56.400 0.187 0.000 0.893 306 E CB 0.596 30.345 29.700 0.083 0.000 1.076 306 E HN 0.436 nan 8.360 nan 0.000 0.414 307 M N 1.116 120.854 119.600 0.230 0.000 2.264 307 M HA 0.328 5.063 4.480 0.426 0.000 0.352 307 M C -0.603 175.732 176.300 0.058 0.000 1.173 307 M CA -0.733 54.597 55.300 0.050 0.000 1.075 307 M CB 1.355 33.977 32.600 0.037 0.000 1.621 307 M HN 0.018 nan 8.290 nan 0.000 0.457 308 V N 4.239 124.086 119.914 -0.111 0.000 2.525 308 V HA 0.476 4.852 4.120 0.426 0.000 0.299 308 V C -0.491 175.496 176.094 -0.178 0.000 1.034 308 V CA -0.591 61.655 62.300 -0.090 0.000 0.863 308 V CB 1.962 33.690 31.823 -0.159 0.000 0.999 308 V HN 0.893 nan 8.190 nan 0.000 0.423 309 M N 5.185 124.705 119.600 -0.135 0.000 2.336 309 M HA 0.576 5.311 4.480 0.426 0.000 0.342 309 M C -0.950 175.241 176.300 -0.182 0.000 1.128 309 M CA -0.446 54.759 55.300 -0.158 0.000 1.016 309 M CB 1.766 34.296 32.600 -0.116 0.000 1.665 309 M HN 0.425 nan 8.290 nan 0.000 0.445 310 L N 2.498 123.574 121.223 -0.245 0.000 2.257 310 L HA 0.421 5.016 4.340 0.426 0.000 0.290 310 L C 0.802 177.568 176.870 -0.173 0.000 1.044 310 L CA -0.665 53.995 54.840 -0.301 0.000 0.810 310 L CB 0.927 42.636 42.059 -0.583 0.000 1.193 310 L HN 0.844 nan 8.230 nan 0.000 0.425 311 G N 4.301 113.013 108.800 -0.146 0.000 2.605 311 G HA2 0.274 4.489 3.960 0.426 0.000 0.301 311 G HA3 0.274 4.489 3.960 0.426 0.000 0.301 311 G C 0.935 175.736 174.900 -0.165 0.000 0.881 311 G CA -0.382 44.630 45.100 -0.148 0.000 1.553 311 G HN 0.661 nan 8.290 nan 0.000 0.483 312 L N 2.122 123.292 121.223 -0.089 0.000 2.027 312 L HA -0.106 4.490 4.340 0.426 0.000 0.206 312 L C 3.166 180.009 176.870 -0.044 0.000 1.074 312 L CA 1.356 56.183 54.840 -0.022 0.000 0.745 312 L CB -0.456 41.642 42.059 0.065 0.000 0.898 312 L HN 0.521 nan 8.230 nan 0.000 0.433 313 A N 0.297 123.048 122.820 -0.116 0.000 1.940 313 A HA -0.162 4.413 4.320 0.426 0.000 0.219 313 A C 2.535 179.986 177.584 -0.223 0.000 1.176 313 A CA 1.854 53.827 52.037 -0.106 0.000 0.631 313 A CB -0.630 18.313 19.000 -0.094 0.000 0.814 313 A HN 0.412 nan 8.150 nan 0.000 0.446 314 A N -0.159 122.305 122.820 -0.594 0.000 1.855 314 A HA 0.213 4.789 4.320 0.426 0.000 0.215 314 A C 2.541 180.090 177.584 -0.058 0.000 1.191 314 A CA 2.008 53.802 52.037 -0.405 0.000 0.613 314 A CB -1.156 17.540 19.000 -0.506 0.000 0.829 314 A HN 1.096 nan 8.150 nan 0.000 0.442 315 A N 0.300 123.094 122.820 -0.043 0.000 1.940 315 A HA -0.218 4.357 4.320 0.426 0.000 0.219 315 A C 1.808 179.536 177.584 0.240 0.000 1.176 315 A CA 1.859 53.951 52.037 0.092 0.000 0.631 315 A CB -0.680 18.309 19.000 -0.017 0.000 0.814 315 A HN 0.539 nan 8.150 nan 0.000 0.446 316 N N -0.448 118.374 118.700 0.203 0.000 2.512 316 N HA -0.047 4.949 4.740 0.426 0.000 0.183 316 N C 0.984 176.761 175.510 0.445 0.000 1.073 316 N CA 0.649 53.925 53.050 0.376 0.000 0.911 316 N CB -0.143 38.554 38.487 0.350 0.000 0.964 316 N HN 0.511 nan 8.380 nan 0.000 0.447 317 R N 0.284 120.950 120.500 0.278 0.000 2.586 317 R HA 0.113 4.708 4.340 0.426 0.000 0.336 317 R C -0.506 175.908 176.300 0.190 0.000 1.060 317 R CA -0.298 55.924 56.100 0.203 0.000 1.079 317 R CB 0.423 30.789 30.300 0.110 0.000 1.317 317 R HN 0.012 nan 8.270 nan 0.000 0.568 318 D N 0.617 121.177 120.400 0.267 0.000 2.325 318 D HA 0.112 5.008 4.640 0.426 0.000 0.251 318 D C 0.884 177.282 176.300 0.163 0.000 1.196 318 D CA -0.033 54.096 54.000 0.216 0.000 0.866 318 D CB 1.542 42.508 40.800 0.276 0.000 1.101 318 D HN 0.194 nan 8.370 nan 0.000 0.476 319 A N 4.159 127.035 122.820 0.093 0.000 2.067 319 A HA -0.150 4.425 4.320 0.426 0.000 0.219 319 A C 1.571 179.169 177.584 0.024 0.000 1.158 319 A CA 0.855 52.912 52.037 0.032 0.000 0.661 319 A CB -0.015 19.000 19.000 0.025 0.000 0.801 319 A HN 0.535 nan 8.150 nan 0.000 0.452 320 D N -1.978 118.466 120.400 0.072 0.000 2.309 320 D HA -0.118 4.778 4.640 0.426 0.000 0.212 320 D C 1.303 177.653 176.300 0.084 0.000 0.968 320 D CA 0.897 54.943 54.000 0.077 0.000 0.882 320 D CB -0.125 40.741 40.800 0.111 0.000 0.918 320 D HN 0.839 nan 8.370 nan 0.000 0.503 321 W N 0.127 121.328 121.300 -0.164 0.000 2.922 321 W HA 0.277 5.214 4.660 0.463 0.000 0.260 321 W C -0.074 176.297 176.519 -0.246 0.000 1.088 321 W CA -0.089 57.041 57.345 -0.358 0.000 1.694 321 W CB 0.200 29.136 29.460 -0.872 0.000 1.064 321 W HN -0.250 nan 8.180 nan 0.000 0.611 322 M N 3.667 122.945 119.600 -0.536 0.000 2.190 322 M HA 0.453 5.189 4.480 0.426 0.000 0.312 322 M C -2.707 173.401 176.300 -0.321 0.000 0.990 322 M CA -3.097 51.763 55.300 -0.733 0.000 0.927 322 M CB 1.528 33.501 32.600 -1.046 0.000 1.571 322 M HN -0.246 nan 8.290 nan 0.000 0.427 323 P HA 0.105 nan 4.420 nan 0.000 0.272 323 P C -0.965 176.267 177.300 -0.114 0.000 1.223 323 P CA 0.410 63.423 63.100 -0.144 0.000 0.784 323 P CB 0.375 32.001 31.700 -0.124 0.000 0.923 324 E N 0.479 120.642 120.200 -0.062 0.000 2.228 324 E HA -0.165 4.440 4.350 0.426 0.000 0.213 324 E C -1.338 175.251 176.600 -0.018 0.000 1.282 324 E CA -0.106 56.275 56.400 -0.031 0.000 0.707 324 E CB -0.913 28.767 29.700 -0.033 0.000 1.150 324 E HN 0.519 nan 8.360 nan 0.000 0.362 325 P HA -0.117 nan 4.420 nan 0.000 0.223 325 P C 0.566 177.913 177.300 0.080 0.000 1.151 325 P CA 0.895 64.007 63.100 0.019 0.000 0.787 325 P CB 0.289 32.010 31.700 0.035 0.000 0.788 326 D N -0.664 119.781 120.400 0.074 0.000 2.349 326 D HA 0.003 4.898 4.640 0.426 0.000 0.224 326 D C 0.996 177.448 176.300 0.253 0.000 1.029 326 D CA 0.368 54.436 54.000 0.113 0.000 0.879 326 D CB -0.121 40.715 40.800 0.060 0.000 0.906 326 D HN 0.215 nan 8.370 nan 0.000 0.528 327 R N 1.043 121.641 120.500 0.163 0.000 2.349 327 R HA 0.309 4.904 4.340 0.426 0.000 0.299 327 R C -0.687 175.591 176.300 -0.037 0.000 1.027 327 R CA -0.715 55.437 56.100 0.087 0.000 0.958 327 R CB 0.703 31.015 30.300 0.019 0.000 1.047 327 R HN -0.073 nan 8.270 nan 0.000 0.468 328 L N 4.267 125.287 121.223 -0.338 0.000 2.278 328 L HA 0.259 4.854 4.340 0.426 0.000 0.287 328 L C -1.111 175.546 176.870 -0.355 0.000 1.072 328 L CA 0.347 54.769 54.840 -0.698 0.000 0.819 328 L CB 1.059 42.234 42.059 -1.472 0.000 1.176 328 L HN 0.572 nan 8.230 nan 0.000 0.435 329 D N 4.532 124.777 120.400 -0.257 0.000 2.389 329 D HA 0.163 5.058 4.640 0.426 0.000 0.256 329 D C 0.912 177.100 176.300 -0.186 0.000 1.239 329 D CA -0.372 53.522 54.000 -0.177 0.000 0.925 329 D CB 0.773 41.498 40.800 -0.124 0.000 1.145 329 D HN 0.581 nan 8.370 nan 0.000 0.542 330 I N 1.004 121.454 120.570 -0.201 0.000 3.176 330 I HA -0.003 4.422 4.170 0.426 0.000 0.275 330 I C 1.327 177.340 176.117 -0.174 0.000 1.298 330 I CA 0.931 62.086 61.300 -0.242 0.000 1.445 330 I CB -0.299 37.544 38.000 -0.262 0.000 1.075 330 I HN 0.249 nan 8.210 nan 0.000 0.482 331 T N -1.645 112.833 114.554 -0.127 0.000 3.065 331 T HA 0.106 4.711 4.350 0.426 0.000 0.252 331 T C 1.188 175.838 174.700 -0.083 0.000 1.099 331 T CA -0.286 61.758 62.100 -0.093 0.000 1.063 331 T CB -0.167 68.658 68.868 -0.072 0.000 0.948 331 T HN 0.380 nan 8.240 nan 0.000 0.506 332 R N 1.517 121.958 120.500 -0.097 0.000 2.758 332 R HA 0.040 4.636 4.340 0.426 0.000 0.263 332 R C -0.757 175.506 176.300 -0.062 0.000 1.010 332 R CA 0.058 56.105 56.100 -0.089 0.000 1.114 332 R CB 0.039 30.278 30.300 -0.102 0.000 0.985 332 R HN 0.204 nan 8.270 nan 0.000 0.439 333 D N 1.820 122.186 120.400 -0.056 0.000 2.313 333 D HA 0.182 5.077 4.640 0.426 0.000 0.239 333 D C 0.774 177.092 176.300 0.029 0.000 1.142 333 D CA 0.310 54.302 54.000 -0.013 0.000 0.847 333 D CB 1.540 42.334 40.800 -0.010 0.000 1.082 333 D HN 0.553 nan 8.370 nan 0.000 0.480 334 A N 3.050 125.932 122.820 0.103 0.000 2.117 334 A HA -0.189 4.386 4.320 0.426 0.000 0.224 334 A C 1.402 179.204 177.584 0.362 0.000 1.167 334 A CA 1.026 53.212 52.037 0.248 0.000 0.664 334 A CB -0.547 18.615 19.000 0.270 0.000 0.811 334 A HN 0.506 nan 8.150 nan 0.000 0.470 335 S N -0.452 115.405 115.700 0.260 0.000 2.714 335 S HA 0.354 5.079 4.470 0.426 0.000 0.318 335 S C 1.306 176.182 174.600 0.460 0.000 1.219 335 S CA 0.947 59.315 58.200 0.280 0.000 1.175 335 S CB -0.387 62.916 63.200 0.172 0.000 0.961 335 S HN 1.676 nan 8.310 nan 0.000 0.518 336 G N 2.993 111.975 108.800 0.304 0.000 2.163 336 G HA2 -0.154 4.062 3.960 0.426 0.000 0.213 336 G HA3 -0.154 4.062 3.960 0.426 0.000 0.213 336 G C 0.376 175.199 174.900 -0.128 0.000 0.991 336 G CA -0.368 44.829 45.100 0.161 0.000 0.653 336 G HN 1.073 nan 8.290 nan 0.000 0.518 337 G N -0.462 108.310 108.800 -0.046 0.000 2.559 337 G HA2 0.510 4.725 3.960 0.426 0.000 0.235 337 G HA3 0.510 4.725 3.960 0.426 0.000 0.235 337 G C 1.132 175.583 174.900 -0.749 0.000 1.266 337 G CA 0.733 45.586 45.100 -0.411 0.000 0.847 337 G HN 1.487 nan 8.290 nan 0.000 0.583 338 V N 0.142 119.699 119.914 -0.595 0.000 3.214 338 V HA 0.243 4.619 4.120 0.426 0.000 0.330 338 V C 1.521 177.426 176.094 -0.315 0.000 1.403 338 V CA 0.141 62.178 62.300 -0.438 0.000 1.143 338 V CB -1.239 30.417 31.823 -0.279 0.000 1.098 338 V HN 0.651 nan 8.190 nan 0.000 0.463 339 F N -0.936 118.969 119.950 -0.075 0.000 2.333 339 F HA 0.253 5.036 4.527 0.425 0.000 0.300 339 F C 1.565 177.187 175.800 -0.296 0.000 1.083 339 F CA 0.740 58.628 58.000 -0.186 0.000 1.395 339 F CB -1.101 37.730 39.000 -0.282 0.000 1.056 339 F HN 0.191 nan 8.300 nan 0.000 0.529 340 F N 0.937 120.846 119.950 -0.067 0.000 2.641 340 F HA 0.516 5.293 4.527 0.417 0.000 0.302 340 F C 1.482 176.989 175.800 -0.487 0.000 1.098 340 F CA 0.106 57.933 58.000 -0.287 0.000 1.318 340 F CB 0.013 38.681 39.000 -0.554 0.000 1.035 340 F HN 0.278 nan 8.300 nan 0.000 0.551 341 G N 0.641 109.306 108.800 -0.224 0.000 2.632 341 G HA2 -0.179 4.036 3.960 0.426 0.000 0.224 341 G HA3 -0.179 4.036 3.960 0.426 0.000 0.224 341 G C -1.378 173.203 174.900 -0.533 0.000 1.341 341 G CA -0.401 44.331 45.100 -0.613 0.000 0.880 341 G HN 0.546 nan 8.290 nan 0.000 0.566 342 H N -1.027 117.504 119.070 -0.900 0.000 3.139 342 H HA 0.663 5.462 4.556 0.404 0.000 0.325 342 H C 0.511 175.689 175.328 -0.251 0.000 1.146 342 H CA 1.943 57.711 56.048 -0.467 0.000 1.351 342 H CB 1.006 30.401 29.762 -0.612 0.000 2.005 342 H HN 2.700 nan 8.280 nan 0.000 0.517 343 G N 2.467 110.918 108.800 -0.582 0.000 2.527 343 G HA2 -0.244 3.972 3.960 0.426 0.000 0.227 343 G HA3 -0.244 3.972 3.960 0.426 0.000 0.227 343 G C 1.302 176.120 174.900 -0.135 0.000 1.291 343 G CA 0.288 45.177 45.100 -0.353 0.000 0.904 343 G HN 1.301 nan 8.290 nan 0.000 0.577 344 I N -2.594 117.904 120.570 -0.120 0.000 2.493 344 I HA 0.056 4.482 4.170 0.426 0.000 0.254 344 I C 1.732 177.755 176.117 -0.156 0.000 1.160 344 I CA 1.940 63.147 61.300 -0.156 0.000 1.445 344 I CB -0.306 37.524 38.000 -0.283 0.000 1.086 344 I HN 0.468 nan 8.210 nan 0.000 0.433 345 H N 0.772 119.837 119.070 -0.009 0.000 2.524 345 H HA 0.208 5.020 4.556 0.427 0.000 0.280 345 H C 0.066 175.435 175.328 0.068 0.000 1.018 345 H CA -0.507 55.568 56.048 0.045 0.000 1.165 345 H CB -0.274 29.494 29.762 0.010 0.000 1.411 345 H HN 0.341 nan 8.280 nan 0.000 0.569 346 F N 1.887 121.830 119.950 -0.011 0.000 2.635 346 F HA -0.106 4.677 4.527 0.427 0.000 0.379 346 F C 0.918 176.707 175.800 -0.018 0.000 1.094 346 F CA -0.348 57.620 58.000 -0.053 0.000 1.300 346 F CB 0.436 39.377 39.000 -0.099 0.000 1.035 346 F HN 0.128 nan 8.300 nan 0.000 0.581 347 C N 8.964 127.844 119.300 -0.701 0.000 2.271 347 C HA -0.086 4.630 4.460 0.426 0.000 0.397 347 C C 1.773 176.564 174.990 -0.331 0.000 1.533 347 C CA -0.206 58.548 59.018 -0.440 0.000 1.433 347 C CB -1.860 25.604 27.740 -0.460 0.000 2.511 347 C HN 1.024 nan 8.230 nan 0.000 0.610 348 L N 5.995 127.090 121.223 -0.213 0.000 2.191 348 L HA 0.135 4.730 4.340 0.426 0.000 0.212 348 L C 2.172 178.812 176.870 -0.382 0.000 1.103 348 L CA 2.426 57.069 54.840 -0.328 0.000 0.769 348 L CB -0.407 41.380 42.059 -0.453 0.000 0.908 348 L HN 0.876 nan 8.230 nan 0.000 0.438 349 G N -2.207 106.450 108.800 -0.239 0.000 3.284 349 G HA2 0.209 4.424 3.960 0.426 0.000 0.236 349 G HA3 0.209 4.424 3.960 0.426 0.000 0.236 349 G C 1.458 176.269 174.900 -0.148 0.000 1.158 349 G CA 0.394 45.454 45.100 -0.067 0.000 0.774 349 G HN 0.517 nan 8.290 nan 0.000 0.545 350 A N 0.793 123.356 122.820 -0.428 0.000 1.917 350 A HA -0.163 4.412 4.320 0.426 0.000 0.219 350 A C 2.345 179.710 177.584 -0.364 0.000 1.182 350 A CA 1.999 53.485 52.037 -0.919 0.000 0.633 350 A CB -0.214 18.056 19.000 -1.217 0.000 0.819 350 A HN 0.346 nan 8.150 nan 0.000 0.448 351 Q N -1.060 118.675 119.800 -0.109 0.000 2.079 351 Q HA -0.059 4.537 4.340 0.426 0.000 0.200 351 Q C 2.016 178.052 176.000 0.060 0.000 0.974 351 Q CA 1.283 57.098 55.803 0.020 0.000 0.840 351 Q CB -0.560 28.219 28.738 0.068 0.000 0.898 351 Q HN 0.575 nan 8.270 nan 0.000 0.430 352 L N 0.187 121.461 121.223 0.085 0.000 2.056 352 L HA -0.048 4.548 4.340 0.426 0.000 0.207 352 L C 1.932 178.870 176.870 0.114 0.000 1.078 352 L CA 2.086 56.989 54.840 0.106 0.000 0.749 352 L CB -1.103 41.045 42.059 0.150 0.000 0.901 352 L HN 0.174 nan 8.230 nan 0.000 0.433 353 A N -0.439 122.455 122.820 0.124 0.000 1.908 353 A HA -0.239 4.336 4.320 0.426 0.000 0.218 353 A C 2.436 180.158 177.584 0.229 0.000 1.181 353 A CA 1.886 54.047 52.037 0.207 0.000 0.627 353 A CB -0.561 18.650 19.000 0.352 0.000 0.818 353 A HN 0.492 nan 8.150 nan 0.000 0.445 354 R N -0.898 119.737 120.500 0.224 0.000 2.096 354 R HA -0.021 4.575 4.340 0.426 0.000 0.235 354 R C 2.176 178.566 176.300 0.149 0.000 1.127 354 R CA 1.288 57.518 56.100 0.216 0.000 0.968 354 R CB -0.437 29.983 30.300 0.199 0.000 0.861 354 R HN 0.550 nan 8.270 nan 0.000 0.440 355 L N 0.941 122.236 121.223 0.120 0.000 2.005 355 L HA -0.186 4.409 4.340 0.426 0.000 0.207 355 L C 2.042 178.972 176.870 0.099 0.000 1.072 355 L CA 1.632 56.530 54.840 0.096 0.000 0.744 355 L CB -0.227 41.878 42.059 0.077 0.000 0.895 355 L HN 0.279 nan 8.230 nan 0.000 0.433 356 E N -0.552 119.710 120.200 0.103 0.000 2.085 356 E HA -0.210 4.396 4.350 0.426 0.000 0.194 356 E C 1.957 178.624 176.600 0.113 0.000 0.994 356 E CA 1.096 57.553 56.400 0.094 0.000 0.801 356 E CB -0.292 29.464 29.700 0.094 0.000 0.743 356 E HN 0.652 nan 8.360 nan 0.000 0.453 357 G N 1.988 110.873 108.800 0.142 0.000 2.421 357 G HA2 -0.315 3.900 3.960 0.426 0.000 0.216 357 G HA3 -0.315 3.900 3.960 0.426 0.000 0.216 357 G C 1.605 176.610 174.900 0.174 0.000 1.171 357 G CA 1.121 46.322 45.100 0.168 0.000 0.775 357 G HN 0.258 nan 8.290 nan 0.000 0.543 358 R N -0.093 120.495 120.500 0.147 0.000 2.090 358 R HA 0.111 4.706 4.340 0.426 0.000 0.228 358 R C 2.266 178.648 176.300 0.137 0.000 1.110 358 R CA 1.276 57.457 56.100 0.135 0.000 0.973 358 R CB -0.783 29.576 30.300 0.099 0.000 0.869 358 R HN 0.211 nan 8.270 nan 0.000 0.440 359 V N 1.858 121.846 119.914 0.123 0.000 2.270 359 V HA -0.184 4.191 4.120 0.426 0.000 0.245 359 V C 2.766 178.958 176.094 0.163 0.000 1.043 359 V CA 1.994 64.367 62.300 0.121 0.000 1.014 359 V CB -0.767 31.111 31.823 0.092 0.000 0.645 359 V HN 0.562 nan 8.190 nan 0.000 0.447 360 A N -0.010 122.905 122.820 0.159 0.000 1.877 360 A HA -0.166 4.410 4.320 0.426 0.000 0.216 360 A C 2.171 179.969 177.584 0.356 0.000 1.186 360 A CA 2.087 54.248 52.037 0.208 0.000 0.620 360 A CB -0.535 18.503 19.000 0.062 0.000 0.822 360 A HN 0.517 nan 8.150 nan 0.000 0.443 361 I N -0.726 120.025 120.570 0.300 0.000 2.277 361 I HA -0.089 4.336 4.170 0.426 0.000 0.243 361 I C 2.733 179.067 176.117 0.362 0.000 1.094 361 I CA 0.955 62.468 61.300 0.356 0.000 1.393 361 I CB -0.754 37.425 38.000 0.299 0.000 1.078 361 I HN 0.377 nan 8.210 nan 0.000 0.417 362 G N 1.117 110.071 108.800 0.256 0.000 2.421 362 G HA2 -0.196 4.019 3.960 0.426 0.000 0.216 362 G HA3 -0.196 4.019 3.960 0.426 0.000 0.216 362 G C 1.780 176.804 174.900 0.207 0.000 1.171 362 G CA 0.355 45.580 45.100 0.209 0.000 0.775 362 G HN 0.135 nan 8.290 nan 0.000 0.543 363 R N -0.094 120.518 120.500 0.187 0.000 2.081 363 R HA -0.010 4.586 4.340 0.426 0.000 0.235 363 R C 2.484 178.848 176.300 0.107 0.000 1.131 363 R CA 0.956 57.142 56.100 0.144 0.000 0.960 363 R CB -1.292 29.099 30.300 0.152 0.000 0.856 363 R HN 0.451 nan 8.270 nan 0.000 0.436 364 L N 0.085 121.383 121.223 0.125 0.000 2.017 364 L HA -0.093 4.503 4.340 0.426 0.000 0.208 364 L C 1.981 178.761 176.870 -0.149 0.000 1.073 364 L CA 1.730 56.512 54.840 -0.096 0.000 0.745 364 L CB -0.592 41.382 42.059 -0.143 0.000 0.894 364 L HN -0.039 nan 8.230 nan 0.000 0.432 365 F N -0.379 119.568 119.950 -0.005 0.000 2.325 365 F HA 0.039 4.822 4.527 0.425 0.000 0.299 365 F C 2.413 178.213 175.800 0.000 0.000 1.090 365 F CA 0.941 58.939 58.000 -0.003 0.000 1.392 365 F CB -0.853 38.160 39.000 0.023 0.000 1.053 365 F HN 0.198 nan 8.300 nan 0.000 0.521 366 A N -0.401 122.511 122.820 0.154 0.000 1.897 366 A HA -0.213 4.363 4.320 0.426 0.000 0.215 366 A C 1.832 179.432 177.584 0.026 0.000 1.181 366 A CA 2.045 54.134 52.037 0.085 0.000 0.620 366 A CB -0.886 18.162 19.000 0.081 0.000 0.821 366 A HN 0.341 nan 8.150 nan 0.000 0.443 367 D N -1.087 119.307 120.400 -0.009 0.000 2.149 367 D HA -0.047 4.848 4.640 0.426 0.000 0.201 367 D C 0.656 176.909 176.300 -0.080 0.000 0.972 367 D CA 0.736 54.710 54.000 -0.044 0.000 0.835 367 D CB 0.172 40.934 40.800 -0.064 0.000 0.966 367 D HN 0.135 nan 8.370 nan 0.000 0.476 368 R N 0.027 120.449 120.500 -0.130 0.000 2.564 368 R HA 0.226 4.821 4.340 0.426 0.000 0.282 368 R C -2.188 174.017 176.300 -0.159 0.000 1.573 368 R CA -1.506 54.494 56.100 -0.167 0.000 1.588 368 R CB 0.903 31.047 30.300 -0.260 0.000 1.154 368 R HN 0.150 nan 8.270 nan 0.000 0.606 369 P HA -0.098 nan 4.420 nan 0.000 0.221 369 P C 0.242 177.537 177.300 -0.009 0.000 1.145 369 P CA 1.151 64.251 63.100 0.000 0.000 0.795 369 P CB 0.409 32.118 31.700 0.015 0.000 0.775 370 E N -1.213 118.956 120.200 -0.052 0.000 2.499 370 E HA 0.108 4.713 4.350 0.426 0.000 0.199 370 E C 0.102 176.654 176.600 -0.080 0.000 1.016 370 E CA -0.649 55.724 56.400 -0.044 0.000 0.933 370 E CB -0.151 29.528 29.700 -0.036 0.000 1.050 370 E HN 0.082 nan 8.360 nan 0.000 0.462 371 L N 1.952 123.083 121.223 -0.154 0.000 2.628 371 L HA -0.009 4.587 4.340 0.426 0.000 0.292 371 L C -0.385 176.418 176.870 -0.111 0.000 1.250 371 L CA 0.655 55.370 54.840 -0.208 0.000 0.892 371 L CB 0.290 42.083 42.059 -0.444 0.000 1.138 371 L HN 0.063 nan 8.230 nan 0.000 0.502 372 A N 5.502 128.268 122.820 -0.090 0.000 2.520 372 A HA 0.545 5.120 4.320 0.426 0.000 0.298 372 A C -0.918 176.641 177.584 -0.043 0.000 1.051 372 A CA -0.806 51.207 52.037 -0.041 0.000 0.690 372 A CB 0.765 19.747 19.000 -0.029 0.000 1.281 372 A HN 0.699 nan 8.150 nan 0.000 0.402 373 L N 1.216 122.428 121.223 -0.019 0.000 2.514 373 L HA 0.229 4.824 4.340 0.426 0.000 0.280 373 L C 1.407 178.261 176.870 -0.026 0.000 1.223 373 L CA 0.384 55.211 54.840 -0.021 0.000 0.864 373 L CB 1.217 43.274 42.059 -0.003 0.000 1.118 373 L HN 0.952 nan 8.230 nan 0.000 0.494 374 A N 3.612 126.412 122.820 -0.032 0.000 2.390 374 A HA 0.371 4.947 4.320 0.426 0.000 0.232 374 A C 0.154 177.724 177.584 -0.023 0.000 1.233 374 A CA 0.122 52.141 52.037 -0.031 0.000 0.907 374 A CB 0.127 19.104 19.000 -0.039 0.000 0.967 374 A HN 0.486 nan 8.150 nan 0.000 0.512 375 V N -4.349 115.554 119.914 -0.019 0.000 3.141 375 V HA 0.916 5.292 4.120 0.426 0.000 0.312 375 V C 0.372 176.465 176.094 -0.002 0.000 1.157 375 V CA -0.485 61.808 62.300 -0.011 0.000 1.041 375 V CB 0.867 32.682 31.823 -0.013 0.000 1.071 375 V HN 0.368 nan 8.190 nan 0.000 0.441 376 G N -0.255 108.547 108.800 0.004 0.000 2.503 376 G HA2 0.414 4.630 3.960 0.426 0.000 0.257 376 G HA3 0.414 4.630 3.960 0.426 0.000 0.257 376 G C 0.521 175.436 174.900 0.024 0.000 1.214 376 G CA -0.517 44.590 45.100 0.012 0.000 0.839 376 G HN 0.989 nan 8.290 nan 0.000 0.559 377 L N 0.578 121.821 121.223 0.033 0.000 2.043 377 L HA -0.154 4.441 4.340 0.426 0.000 0.212 377 L C 2.701 179.614 176.870 0.071 0.000 1.075 377 L CA 1.934 56.809 54.840 0.058 0.000 0.752 377 L CB -0.211 41.882 42.059 0.056 0.000 0.891 377 L HN 0.777 nan 8.230 nan 0.000 0.432 378 D N -0.688 119.743 120.400 0.051 0.000 2.384 378 D HA -0.216 4.679 4.640 0.426 0.000 0.222 378 D C 1.254 177.587 176.300 0.055 0.000 0.976 378 D CA 0.913 54.944 54.000 0.052 0.000 0.915 378 D CB -0.118 40.703 40.800 0.035 0.000 0.896 378 D HN 0.512 nan 8.370 nan 0.000 0.523 379 E N -0.176 120.052 120.200 0.047 0.000 2.476 379 E HA 0.193 4.798 4.350 0.426 0.000 0.199 379 E C 0.506 177.127 176.600 0.035 0.000 1.021 379 E CA -0.329 56.092 56.400 0.035 0.000 0.907 379 E CB 0.683 30.393 29.700 0.017 0.000 0.974 379 E HN 0.273 nan 8.360 nan 0.000 0.489 380 L N 1.864 123.119 121.223 0.053 0.000 2.456 380 L HA 0.089 4.685 4.340 0.426 0.000 0.272 380 L C -0.153 176.749 176.870 0.054 0.000 1.189 380 L CA -0.163 54.688 54.840 0.018 0.000 0.846 380 L CB 0.733 42.813 42.059 0.036 0.000 1.111 380 L HN -0.130 nan 8.230 nan 0.000 0.475 381 V N 3.610 123.489 119.914 -0.058 0.000 2.378 381 V HA 0.318 4.694 4.120 0.426 0.000 0.288 381 V C -0.604 175.422 176.094 -0.113 0.000 1.016 381 V CA -0.589 61.708 62.300 -0.004 0.000 0.840 381 V CB 1.169 32.980 31.823 -0.020 0.000 0.994 381 V HN 0.376 nan 8.190 nan 0.000 0.431 382 Y N 3.336 123.654 120.300 0.030 0.000 2.387 382 Y HA 0.540 5.345 4.550 0.425 0.000 0.330 382 Y C 1.026 176.886 175.900 -0.066 0.000 1.133 382 Y CA -0.898 57.219 58.100 0.028 0.000 1.152 382 Y CB 1.074 39.594 38.460 0.100 0.000 1.215 382 Y HN 0.431 nan 8.280 nan 0.000 0.466 383 R N 1.928 122.463 120.500 0.059 0.000 2.570 383 R HA 0.015 4.611 4.340 0.426 0.000 0.277 383 R C -0.598 175.487 176.300 -0.359 0.000 1.039 383 R CA 0.034 56.075 56.100 -0.097 0.000 1.065 383 R CB 0.197 30.481 30.300 -0.028 0.000 0.964 383 R HN 0.771 nan 8.270 nan 0.000 0.428 384 E N 1.316 121.112 120.200 -0.673 0.000 1.964 384 E HA 0.086 4.691 4.350 0.426 0.000 0.264 384 E C -0.459 175.673 176.600 -0.780 0.000 1.120 384 E CA -0.037 55.445 56.400 -1.530 0.000 1.061 384 E CB 0.731 29.687 29.700 -1.240 0.000 1.190 384 E HN 0.262 nan 8.360 nan 0.000 0.459 385 S N 1.034 116.484 115.700 -0.417 0.000 2.672 385 S HA 0.166 4.892 4.470 0.426 0.000 0.291 385 S C 1.021 175.838 174.600 0.362 0.000 1.145 385 S CA -0.598 57.613 58.200 0.019 0.000 1.013 385 S CB 1.444 64.653 63.200 0.015 0.000 1.017 385 S HN 0.286 nan 8.310 nan 0.000 0.487 386 T N 5.052 119.836 114.554 0.383 0.000 2.720 386 T HA -0.060 4.546 4.350 0.426 0.000 0.268 386 T C 1.377 176.343 174.700 0.443 0.000 1.037 386 T CA 1.456 63.842 62.100 0.475 0.000 1.144 386 T CB -0.247 68.677 68.868 0.094 0.000 0.864 386 T HN 0.647 nan 8.240 nan 0.000 0.444 387 L N 0.897 122.278 121.223 0.264 0.000 2.611 387 L HA 0.275 4.870 4.340 0.426 0.000 0.229 387 L C -0.226 176.774 176.870 0.216 0.000 1.137 387 L CA -0.144 54.822 54.840 0.210 0.000 0.901 387 L CB 0.233 42.360 42.059 0.114 0.000 1.098 387 L HN 0.035 nan 8.230 nan 0.000 0.456 388 V N 0.238 120.311 119.914 0.264 0.000 2.604 388 V HA 0.376 4.752 4.120 0.426 0.000 0.305 388 V C -0.344 175.915 176.094 0.276 0.000 1.043 388 V CA -0.699 61.733 62.300 0.220 0.000 0.888 388 V CB 2.309 34.226 31.823 0.157 0.000 0.995 388 V HN 0.155 nan 8.190 nan 0.000 0.429 389 R N 3.049 123.686 120.500 0.229 0.000 2.287 389 R HA 0.673 5.268 4.340 0.426 0.000 0.316 389 R C -0.258 176.218 176.300 0.294 0.000 1.050 389 R CA 0.012 56.254 56.100 0.237 0.000 0.983 389 R CB 0.884 31.275 30.300 0.152 0.000 1.140 389 R HN 0.901 nan 8.270 nan 0.000 0.528 390 G N 3.915 112.941 108.800 0.377 0.000 2.732 390 G HA2 0.361 4.577 3.960 0.426 0.000 0.295 390 G HA3 0.361 4.577 3.960 0.426 0.000 0.295 390 G C -1.130 173.872 174.900 0.169 0.000 1.456 390 G CA -0.792 44.468 45.100 0.266 0.000 1.050 390 G HN 0.444 nan 8.290 nan 0.000 0.525 391 L N 1.987 123.169 121.223 -0.069 0.000 2.455 391 L HA 0.102 4.697 4.340 0.426 0.000 0.272 391 L C 2.061 178.861 176.870 -0.116 0.000 1.174 391 L CA -0.145 54.475 54.840 -0.368 0.000 0.869 391 L CB 1.366 43.214 42.059 -0.351 0.000 1.130 391 L HN 0.762 nan 8.230 nan 0.000 0.474 392 S N 2.995 118.616 115.700 -0.131 0.000 2.406 392 S HA 0.044 4.770 4.470 0.426 0.000 0.228 392 S C 0.762 175.336 174.600 -0.044 0.000 1.020 392 S CA 0.292 58.488 58.200 -0.007 0.000 0.965 392 S CB 0.181 63.370 63.200 -0.019 0.000 0.798 392 S HN 0.698 nan 8.310 nan 0.000 0.488 393 R N -0.638 119.779 120.500 -0.138 0.000 2.710 393 R HA 0.545 5.141 4.340 0.426 0.000 0.270 393 R C -1.574 174.619 176.300 -0.179 0.000 1.021 393 R CA -0.438 55.557 56.100 -0.175 0.000 0.889 393 R CB 1.684 31.910 30.300 -0.122 0.000 1.243 393 R HN 0.267 nan 8.270 nan 0.000 0.464 394 M N 2.608 122.108 119.600 -0.166 0.000 2.037 394 M HA 0.359 5.094 4.480 0.426 0.000 0.255 394 M C -2.753 173.485 176.300 -0.104 0.000 0.914 394 M CA -1.829 53.394 55.300 -0.127 0.000 0.986 394 M CB 1.950 34.483 32.600 -0.112 0.000 1.947 394 M HN 0.193 nan 8.290 nan 0.000 0.419 395 P HA 0.160 nan 4.420 nan 0.000 0.271 395 P C -0.924 176.336 177.300 -0.066 0.000 1.233 395 P CA -0.128 62.928 63.100 -0.072 0.000 0.764 395 P CB 0.630 32.296 31.700 -0.057 0.000 0.825 396 V N 0.811 120.680 119.914 -0.075 0.000 3.160 396 V HA 0.738 5.113 4.120 0.426 0.000 0.310 396 V C -0.612 175.434 176.094 -0.079 0.000 1.181 396 V CA -0.738 61.515 62.300 -0.079 0.000 1.047 396 V CB 2.174 33.935 31.823 -0.104 0.000 1.068 396 V HN 0.279 nan 8.190 nan 0.000 0.441 397 T N 3.789 118.296 114.554 -0.080 0.000 2.772 397 T HA 0.426 5.032 4.350 0.426 0.000 0.288 397 T C 0.948 175.587 174.700 -0.103 0.000 0.994 397 T CA -0.511 61.542 62.100 -0.078 0.000 0.951 397 T CB 1.270 70.103 68.868 -0.059 0.000 0.933 397 T HN 0.647 nan 8.240 nan 0.000 0.447 398 M N 1.720 121.252 119.600 -0.114 0.000 2.254 398 M HA 0.157 4.892 4.480 0.426 0.000 0.265 398 M C 1.496 177.717 176.300 -0.131 0.000 1.066 398 M CA 0.848 56.058 55.300 -0.149 0.000 1.123 398 M CB -1.428 31.079 32.600 -0.154 0.000 1.388 398 M HN 0.958 nan 8.290 nan 0.000 0.425 399 G N 1.362 110.106 108.800 -0.095 0.000 2.860 399 G HA2 -0.157 4.058 3.960 0.426 0.000 0.553 399 G HA3 -0.157 4.058 3.960 0.426 0.000 0.553 399 G C -2.835 172.021 174.900 -0.073 0.000 1.439 399 G CA -1.047 44.008 45.100 -0.075 0.000 0.879 399 G HN 0.193 nan 8.290 nan 0.000 0.545 400 P HA 0.288 nan 4.420 nan 0.000 0.272 400 P C 0.252 177.520 177.300 -0.052 0.000 1.223 400 P CA -0.127 62.945 63.100 -0.047 0.000 0.784 400 P CB 0.490 32.169 31.700 -0.034 0.000 0.923 401 R N 0.800 121.271 120.500 -0.047 0.000 2.594 401 R HA 0.235 4.831 4.340 0.426 0.000 0.272 401 R C 0.629 176.910 176.300 -0.031 0.000 1.074 401 R CA -0.222 55.851 56.100 -0.045 0.000 1.105 401 R CB 0.141 30.417 30.300 -0.039 0.000 1.008 401 R HN 0.554 nan 8.270 nan 0.000 0.472 402 S N 1.646 117.330 115.700 -0.026 0.000 2.560 402 S HA 0.204 4.930 4.470 0.426 0.000 0.284 402 S C 0.728 175.323 174.600 -0.009 0.000 1.327 402 S CA -0.604 57.589 58.200 -0.013 0.000 1.055 402 S CB 1.082 64.279 63.200 -0.004 0.000 0.868 402 S HN 0.714 nan 8.310 nan 0.000 0.506 403 A N 0.000 122.817 122.820 -0.005 0.000 2.254 403 A HA 0.000 4.575 4.320 0.426 0.000 0.244 403 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 403 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486