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 3e5p_1_B DATA FIRST_RESID 1 DATA SEQUENCE MVVGWHRPTR LHIDTQAITE NVQKECQRLP EGTALFAVVK ANGYGHGAVE DATA SEQUENCE SAKAAKKGGA TGFCVALLDE AIELREAGVQ DPILILSVVD LAYVPLLIQY DATA SEQUENCE DLSVTVATQE WLEAALQQLT PESNTPLRVH LKVDTGMGRI GFLTPEETKQ DATA SEQUENCE AVRFVQSHKE FLWEGIFTHF STADEIDTSY FEKQAGRFKA VLAVLEELPR DATA SEQUENCE YVHVSNSATA LWHPDVPGNM IRYGVAMYGL NPSGNKLAPS YALKPALRLT DATA SEQUENCE SELIHVKRLA AGEGIGYGET YVTEAEEWIG TVPIGYADGW LRHLQGFTVL DATA SEQUENCE VNGKRCEIVG RVCMDQCMIR LAEEVPVGPV VTLVGKDGNE ENTLQMVAEK DATA SEQUENCE LETIHYEVAC TFSQRIPREY N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.612 32.600 0.019 0.000 1.302 2 V N -1.618 118.308 119.914 0.020 0.000 3.007 2 V HA 0.932 4.930 4.120 -0.203 0.000 0.311 2 V C -0.466 175.628 176.094 0.001 0.000 1.120 2 V CA -0.905 61.415 62.300 0.033 0.000 0.980 2 V CB 2.644 34.493 31.823 0.043 0.000 1.033 2 V HN -0.101 nan 8.190 nan 0.000 0.429 3 V N 2.228 122.141 119.914 -0.001 0.000 2.481 3 V HA 0.583 4.582 4.120 -0.203 0.000 0.286 3 V C 1.405 177.388 176.094 -0.185 0.000 1.042 3 V CA 0.516 62.719 62.300 -0.161 0.000 0.928 3 V CB 1.383 33.037 31.823 -0.281 0.000 0.986 3 V HN 1.247 nan 8.190 nan 0.000 0.462 4 G N 2.558 111.209 108.800 -0.249 0.000 3.397 4 G HA2 -0.024 3.815 3.960 -0.203 0.000 0.248 4 G HA3 -0.024 3.815 3.960 -0.203 0.000 0.248 4 G C 0.629 175.458 174.900 -0.118 0.000 1.284 4 G CA -0.236 44.782 45.100 -0.137 0.000 1.570 4 G HN 0.929 nan 8.290 nan 0.000 0.587 5 W N -0.536 120.782 121.300 0.030 0.000 2.308 5 W HA -0.174 4.367 4.660 -0.198 0.000 0.301 5 W C 1.860 178.299 176.519 -0.135 0.000 1.220 5 W CA 0.891 58.206 57.345 -0.051 0.000 1.240 5 W CB -0.063 29.364 29.460 -0.055 0.000 1.142 5 W HN 0.455 nan 8.180 nan 0.000 0.521 6 H N -1.304 117.875 119.070 0.182 0.000 2.536 6 H HA 0.204 4.638 4.556 -0.203 0.000 0.276 6 H C 0.488 175.841 175.328 0.041 0.000 1.019 6 H CA 0.346 56.454 56.048 0.101 0.000 1.159 6 H CB -0.079 29.730 29.762 0.079 0.000 1.373 6 H HN -0.085 nan 8.280 nan 0.000 0.584 7 R N 1.437 121.984 120.500 0.078 0.000 2.637 7 R HA 0.189 4.408 4.340 -0.203 0.000 0.291 7 R C -1.945 174.342 176.300 -0.021 0.000 0.963 7 R CA -2.113 53.996 56.100 0.016 0.000 0.901 7 R CB 1.222 31.510 30.300 -0.019 0.000 1.160 7 R HN 0.025 nan 8.270 nan 0.000 0.457 8 P HA -0.023 nan 4.420 nan 0.000 0.239 8 P C -0.414 176.846 177.300 -0.068 0.000 1.184 8 P CA 0.469 63.548 63.100 -0.034 0.000 0.760 8 P CB 0.194 31.880 31.700 -0.024 0.000 0.884 9 T N 1.227 115.720 114.554 -0.103 0.000 2.832 9 T HA 0.385 4.613 4.350 -0.203 0.000 0.296 9 T C 0.152 174.732 174.700 -0.200 0.000 0.968 9 T CA 0.110 62.118 62.100 -0.153 0.000 1.107 9 T CB 1.026 69.792 68.868 -0.170 0.000 0.916 9 T HN 0.048 nan 8.240 nan 0.000 0.517 10 R N 2.019 122.387 120.500 -0.220 0.000 2.739 10 R HA 0.611 4.830 4.340 -0.203 0.000 0.271 10 R C -1.823 174.250 176.300 -0.377 0.000 1.010 10 R CA -0.682 55.221 56.100 -0.327 0.000 0.897 10 R CB 1.349 31.444 30.300 -0.342 0.000 1.236 10 R HN 0.520 nan 8.270 nan 0.000 0.466 11 L N 3.356 124.289 121.223 -0.484 0.000 2.316 11 L HA 0.467 4.685 4.340 -0.203 0.000 0.280 11 L C -1.035 175.536 176.870 -0.498 0.000 1.006 11 L CA -0.700 53.885 54.840 -0.426 0.000 0.836 11 L CB 1.357 43.169 42.059 -0.411 0.000 1.221 11 L HN 0.704 nan 8.230 nan 0.000 0.418 12 H N 4.213 123.144 119.070 -0.231 0.000 2.594 12 H HA 0.421 4.855 4.556 -0.204 0.000 0.304 12 H C -0.348 174.872 175.328 -0.181 0.000 1.068 12 H CA -0.233 55.693 56.048 -0.203 0.000 1.308 12 H CB 1.445 31.132 29.762 -0.126 0.000 1.409 12 H HN 0.446 nan 8.280 nan 0.000 0.460 13 I N 2.058 122.529 120.570 -0.165 0.000 2.362 13 I HA 0.234 4.282 4.170 -0.203 0.000 0.289 13 I C -0.679 175.478 176.117 0.067 0.000 0.994 13 I CA -0.925 60.354 61.300 -0.035 0.000 1.158 13 I CB 1.140 39.123 38.000 -0.027 0.000 1.315 13 I HN 0.514 nan 8.210 nan 0.000 0.451 14 D N 5.173 125.646 120.400 0.122 0.000 2.453 14 D HA 0.075 4.594 4.640 -0.203 0.000 0.223 14 D C 1.471 177.859 176.300 0.146 0.000 1.183 14 D CA 0.047 54.121 54.000 0.123 0.000 0.933 14 D CB 1.046 41.900 40.800 0.089 0.000 1.038 14 D HN 0.720 nan 8.370 nan 0.000 0.513 15 T N 0.942 115.606 114.554 0.183 0.000 2.803 15 T HA -0.286 3.943 4.350 -0.203 0.000 0.269 15 T C 1.600 176.353 174.700 0.088 0.000 1.052 15 T CA 1.218 63.412 62.100 0.157 0.000 1.136 15 T CB -0.264 68.704 68.868 0.166 0.000 0.864 15 T HN 0.438 nan 8.240 nan 0.000 0.467 16 Q N 1.029 120.876 119.800 0.078 0.000 2.096 16 Q HA -0.057 4.161 4.340 -0.203 0.000 0.204 16 Q C 2.852 178.875 176.000 0.040 0.000 0.982 16 Q CA 1.659 57.492 55.803 0.050 0.000 0.850 16 Q CB -0.540 28.226 28.738 0.047 0.000 0.901 16 Q HN 0.783 nan 8.270 nan 0.000 0.422 17 A N 0.904 123.754 122.820 0.049 0.000 1.933 17 A HA -0.158 4.040 4.320 -0.203 0.000 0.218 17 A C 2.024 179.617 177.584 0.015 0.000 1.175 17 A CA 1.053 53.115 52.037 0.041 0.000 0.628 17 A CB -0.573 18.460 19.000 0.055 0.000 0.814 17 A HN 0.301 nan 8.150 nan 0.000 0.444 18 I N -0.573 119.998 120.570 0.002 0.000 2.286 18 I HA -0.212 3.837 4.170 -0.203 0.000 0.248 18 I C 2.543 178.631 176.117 -0.048 0.000 1.115 18 I CA 1.677 62.932 61.300 -0.075 0.000 1.392 18 I CB -0.615 37.334 38.000 -0.086 0.000 1.065 18 I HN 0.244 nan 8.210 nan 0.000 0.418 19 T N 0.030 114.577 114.554 -0.010 0.000 2.737 19 T HA -0.180 4.048 4.350 -0.203 0.000 0.265 19 T C 1.773 176.468 174.700 -0.009 0.000 1.038 19 T CA 1.417 63.513 62.100 -0.008 0.000 1.144 19 T CB -0.192 68.679 68.868 0.004 0.000 0.866 19 T HN 0.332 nan 8.240 nan 0.000 0.434 20 E N 1.073 121.275 120.200 0.002 0.000 2.038 20 E HA -0.127 4.102 4.350 -0.203 0.000 0.195 20 E C 2.412 179.019 176.600 0.012 0.000 1.000 20 E CA 1.063 57.464 56.400 0.003 0.000 0.803 20 E CB -0.080 29.632 29.700 0.019 0.000 0.750 20 E HN 0.308 nan 8.360 nan 0.000 0.448 21 N N 0.129 118.861 118.700 0.053 0.000 2.104 21 N HA -0.149 4.469 4.740 -0.203 0.000 0.190 21 N C 1.895 177.494 175.510 0.150 0.000 1.024 21 N CA 1.147 54.285 53.050 0.148 0.000 0.853 21 N CB -0.293 38.256 38.487 0.103 0.000 1.008 21 N HN 0.041 nan 8.380 nan 0.000 0.424 22 V N 1.322 121.282 119.914 0.075 0.000 2.427 22 V HA -0.199 3.799 4.120 -0.203 0.000 0.248 22 V C 2.522 178.588 176.094 -0.045 0.000 1.051 22 V CA 1.426 63.766 62.300 0.067 0.000 1.048 22 V CB -0.544 31.286 31.823 0.012 0.000 0.666 22 V HN 0.286 nan 8.190 nan 0.000 0.456 23 Q N -0.095 119.668 119.800 -0.062 0.000 2.050 23 Q HA -0.205 4.013 4.340 -0.203 0.000 0.202 23 Q C 2.346 178.246 176.000 -0.167 0.000 0.980 23 Q CA 1.640 57.384 55.803 -0.097 0.000 0.840 23 Q CB -0.047 28.649 28.738 -0.070 0.000 0.898 23 Q HN 0.565 nan 8.270 nan 0.000 0.424 24 K N -0.038 120.221 120.400 -0.236 0.000 2.148 24 K HA -0.195 4.003 4.320 -0.203 0.000 0.204 24 K C 1.963 178.233 176.600 -0.551 0.000 1.050 24 K CA 1.312 57.335 56.287 -0.440 0.000 0.942 24 K CB 0.006 32.096 32.500 -0.684 0.000 0.724 24 K HN 0.142 nan 8.250 nan 0.000 0.446 25 E N 1.170 121.106 120.200 -0.440 0.000 2.046 25 E HA -0.135 4.093 4.350 -0.203 0.000 0.190 25 E C 1.907 178.328 176.600 -0.299 0.000 0.982 25 E CA 1.401 57.581 56.400 -0.367 0.000 0.800 25 E CB -0.428 28.999 29.700 -0.455 0.000 0.756 25 E HN 0.196 nan 8.360 nan 0.000 0.449 26 C N 0.813 119.964 119.300 -0.248 0.000 2.401 26 C HA -0.174 4.164 4.460 -0.203 0.000 0.276 26 C C 2.609 177.509 174.990 -0.151 0.000 1.233 26 C CA 1.405 60.315 59.018 -0.180 0.000 1.753 26 C CB -1.106 26.552 27.740 -0.138 0.000 2.029 26 C HN 0.553 nan 8.230 nan 0.000 0.478 27 Q N -0.664 119.039 119.800 -0.162 0.000 2.364 27 Q HA -0.118 4.100 4.340 -0.203 0.000 0.207 27 Q C 2.284 178.208 176.000 -0.128 0.000 0.970 27 Q CA 0.851 56.574 55.803 -0.133 0.000 0.888 27 Q CB -0.133 28.521 28.738 -0.140 0.000 0.951 27 Q HN 0.628 nan 8.270 nan 0.000 0.469 28 R N -0.233 120.171 120.500 -0.159 0.000 2.290 28 R HA 0.130 4.348 4.340 -0.203 0.000 0.197 28 R C 1.705 177.952 176.300 -0.090 0.000 0.913 28 R CA -0.032 55.993 56.100 -0.124 0.000 1.040 28 R CB 0.325 30.538 30.300 -0.144 0.000 0.992 28 R HN 0.238 nan 8.270 nan 0.000 0.500 29 L N 1.085 122.247 121.223 -0.101 0.000 2.095 29 L HA 0.015 4.233 4.340 -0.203 0.000 0.204 29 L C -0.630 176.212 176.870 -0.046 0.000 1.080 29 L CA 1.068 55.856 54.840 -0.087 0.000 0.759 29 L CB -0.291 41.706 42.059 -0.103 0.000 0.914 29 L HN 0.223 nan 8.230 nan 0.000 0.439 30 P HA 0.006 nan 4.420 nan 0.000 0.269 30 P C 0.098 177.380 177.300 -0.030 0.000 1.205 30 P CA 0.175 63.246 63.100 -0.048 0.000 0.885 30 P CB 0.238 31.908 31.700 -0.050 0.000 1.246 31 E N 1.537 121.728 120.200 -0.016 0.000 2.070 31 E HA 0.343 4.571 4.350 -0.203 0.000 0.282 31 E C 0.421 177.020 176.600 -0.000 0.000 1.104 31 E CA -0.056 56.340 56.400 -0.008 0.000 0.876 31 E CB -0.621 29.078 29.700 -0.002 0.000 1.055 31 E HN 0.238 nan 8.360 nan 0.000 0.401 32 G N 4.149 112.949 108.800 -0.001 0.000 2.283 32 G HA2 -0.254 3.585 3.960 -0.203 0.000 0.280 32 G HA3 -0.254 3.585 3.960 -0.203 0.000 0.280 32 G C -0.045 174.865 174.900 0.017 0.000 1.029 32 G CA 0.730 45.834 45.100 0.007 0.000 0.840 32 G HN 0.556 nan 8.290 nan 0.000 0.505 33 T N 0.025 114.585 114.554 0.011 0.000 2.824 33 T HA 0.749 4.977 4.350 -0.203 0.000 0.282 33 T C 0.379 175.085 174.700 0.011 0.000 0.993 33 T CA 0.269 62.380 62.100 0.017 0.000 0.967 33 T CB 1.972 70.845 68.868 0.007 0.000 0.960 33 T HN 1.234 nan 8.240 nan 0.000 0.441 34 A N 2.962 125.804 122.820 0.037 0.000 2.279 34 A HA 0.783 4.981 4.320 -0.203 0.000 0.303 34 A C -0.661 176.942 177.584 0.031 0.000 1.108 34 A CA -0.662 51.408 52.037 0.055 0.000 0.830 34 A CB 0.530 19.628 19.000 0.164 0.000 1.106 34 A HN 0.661 nan 8.150 nan 0.000 0.493 35 L N 2.092 123.332 121.223 0.029 0.000 2.294 35 L HA 0.577 4.795 4.340 -0.203 0.000 0.283 35 L C -1.720 175.190 176.870 0.067 0.000 1.015 35 L CA -0.382 54.458 54.840 -0.001 0.000 0.831 35 L CB 0.273 42.268 42.059 -0.108 0.000 1.217 35 L HN 0.569 nan 8.230 nan 0.000 0.420 36 F N 3.046 122.875 119.950 -0.202 0.000 2.399 36 F HA 0.622 5.027 4.527 -0.204 0.000 0.334 36 F C 0.737 176.443 175.800 -0.158 0.000 1.097 36 F CA -0.781 57.061 58.000 -0.264 0.000 1.076 36 F CB 1.855 40.695 39.000 -0.267 0.000 1.162 36 F HN 0.585 nan 8.300 nan 0.000 0.495 37 A N 3.341 126.079 122.820 -0.136 0.000 2.249 37 A HA 0.552 4.751 4.320 -0.203 0.000 0.314 37 A C -0.866 176.811 177.584 0.155 0.000 1.290 37 A CA -0.658 51.387 52.037 0.013 0.000 0.893 37 A CB 0.606 19.596 19.000 -0.016 0.000 1.165 37 A HN 0.701 nan 8.150 nan 0.000 0.530 38 V N 4.723 124.752 119.914 0.191 0.000 2.368 38 V HA 0.494 4.492 4.120 -0.203 0.000 0.266 38 V C 0.219 176.530 176.094 0.363 0.000 1.045 38 V CA 0.159 62.618 62.300 0.266 0.000 0.899 38 V CB 0.871 32.862 31.823 0.280 0.000 1.006 38 V HN 1.227 nan 8.190 nan 0.000 0.470 39 V N 4.665 124.783 119.914 0.341 0.000 2.887 39 V HA 0.425 4.423 4.120 -0.203 0.000 0.370 39 V C 0.610 176.870 176.094 0.278 0.000 1.322 39 V CA -0.558 61.970 62.300 0.380 0.000 1.267 39 V CB -0.453 31.532 31.823 0.270 0.000 1.344 39 V HN 0.939 nan 8.190 nan 0.000 0.573 40 K N 1.155 121.695 120.400 0.235 0.000 2.149 40 K HA 0.581 4.780 4.320 -0.203 0.000 0.245 40 K C 0.612 177.203 176.600 -0.016 0.000 1.024 40 K CA 0.551 56.883 56.287 0.077 0.000 0.899 40 K CB 0.881 33.400 32.500 0.032 0.000 1.038 40 K HN 1.427 nan 8.250 nan 0.000 0.496 41 A N 1.453 124.248 122.820 -0.042 0.000 2.610 41 A HA -0.244 3.955 4.320 -0.203 0.000 0.299 41 A C 0.366 177.955 177.584 0.007 0.000 1.487 41 A CA 1.268 53.269 52.037 -0.061 0.000 0.743 41 A CB -2.496 16.398 19.000 -0.177 0.000 1.070 41 A HN 1.101 nan 8.150 nan 0.000 0.439 42 N N -1.812 116.915 118.700 0.046 0.000 2.725 42 N HA 0.030 4.649 4.740 -0.203 0.000 0.251 42 N C 1.133 176.737 175.510 0.156 0.000 1.031 42 N CA 2.613 55.714 53.050 0.084 0.000 0.720 42 N CB -1.383 37.147 38.487 0.070 0.000 0.930 42 N HN 2.498 nan 8.380 nan 0.000 0.543 43 G N 0.501 109.428 108.800 0.212 0.000 2.314 43 G HA2 -0.329 3.509 3.960 -0.203 0.000 0.292 43 G HA3 -0.329 3.509 3.960 -0.203 0.000 0.292 43 G C 0.259 175.323 174.900 0.273 0.000 1.059 43 G CA 0.400 45.709 45.100 0.347 0.000 0.982 43 G HN 0.876 nan 8.290 nan 0.000 0.505 44 Y N -2.338 117.913 120.300 -0.082 0.000 4.236 44 Y HA -0.214 4.214 4.550 -0.203 0.000 0.220 44 Y C 2.256 178.158 175.900 0.002 0.000 1.115 44 Y CA 2.472 60.449 58.100 -0.205 0.000 1.811 44 Y CB -1.488 36.493 38.460 -0.800 0.000 1.581 44 Y HN 2.110 nan 8.280 nan 0.000 0.643 45 G N -2.241 106.671 108.800 0.186 0.000 2.176 45 G HA2 -0.356 3.482 3.960 -0.203 0.000 0.232 45 G HA3 -0.356 3.482 3.960 -0.203 0.000 0.232 45 G C 0.545 175.522 174.900 0.128 0.000 0.986 45 G CA 0.438 45.625 45.100 0.144 0.000 0.643 45 G HN 0.572 nan 8.290 nan 0.000 0.522 46 H N 0.118 119.238 119.070 0.083 0.000 2.520 46 H HA 0.471 4.904 4.556 -0.203 0.000 0.279 46 H C 1.590 177.075 175.328 0.261 0.000 0.990 46 H CA 1.530 57.677 56.048 0.166 0.000 1.288 46 H CB 0.704 30.610 29.762 0.239 0.000 1.446 46 H HN 1.457 nan 8.280 nan 0.000 0.538 47 G N -0.197 108.813 108.800 0.350 0.000 2.951 47 G HA2 0.190 4.028 3.960 -0.203 0.000 0.508 47 G HA3 0.190 4.028 3.960 -0.203 0.000 0.508 47 G C 0.760 175.776 174.900 0.194 0.000 1.203 47 G CA -0.158 45.100 45.100 0.263 0.000 1.209 47 G HN 0.441 nan 8.290 nan 0.000 0.552 48 A N 1.884 124.786 122.820 0.136 0.000 1.884 48 A HA 0.034 4.232 4.320 -0.203 0.000 0.219 48 A C 2.673 180.268 177.584 0.018 0.000 1.197 48 A CA 3.128 55.222 52.037 0.094 0.000 0.637 48 A CB -0.564 18.466 19.000 0.049 0.000 0.827 48 A HN 1.530 nan 8.150 nan 0.000 0.450 49 V N 1.273 121.169 119.914 -0.030 0.000 2.220 49 V HA -0.273 3.726 4.120 -0.203 0.000 0.246 49 V C 2.603 178.635 176.094 -0.103 0.000 1.049 49 V CA 2.248 64.491 62.300 -0.095 0.000 1.003 49 V CB -1.011 30.751 31.823 -0.101 0.000 0.634 49 V HN 0.777 nan 8.190 nan 0.000 0.444 50 E N 0.244 120.363 120.200 -0.136 0.000 2.209 50 E HA -0.188 4.041 4.350 -0.203 0.000 0.196 50 E C 2.200 178.794 176.600 -0.011 0.000 0.993 50 E CA 1.628 57.914 56.400 -0.190 0.000 0.819 50 E CB -0.565 28.802 29.700 -0.555 0.000 0.745 50 E HN 0.558 nan 8.360 nan 0.000 0.477 51 S N 1.033 116.778 115.700 0.075 0.000 2.377 51 S HA 0.089 4.437 4.470 -0.203 0.000 0.223 51 S C 2.141 176.790 174.600 0.081 0.000 1.030 51 S CA 0.738 59.007 58.200 0.116 0.000 0.970 51 S CB -0.097 63.237 63.200 0.223 0.000 0.830 51 S HN 0.484 nan 8.310 nan 0.000 0.473 52 A N 2.094 124.947 122.820 0.056 0.000 1.940 52 A HA -0.145 4.054 4.320 -0.203 0.000 0.219 52 A C 1.985 179.641 177.584 0.120 0.000 1.176 52 A CA 1.435 53.519 52.037 0.078 0.000 0.631 52 A CB -0.396 18.374 19.000 -0.383 0.000 0.814 52 A HN 0.452 nan 8.150 nan 0.000 0.446 53 K N -0.438 119.966 120.400 0.006 0.000 2.155 53 K HA 0.045 4.243 4.320 -0.203 0.000 0.203 53 K C 2.240 178.867 176.600 0.045 0.000 1.052 53 K CA 0.977 57.274 56.287 0.016 0.000 0.948 53 K CB -0.234 32.245 32.500 -0.035 0.000 0.728 53 K HN 0.436 nan 8.250 nan 0.000 0.448 54 A N 1.626 124.471 122.820 0.041 0.000 1.898 54 A HA 0.038 4.236 4.320 -0.203 0.000 0.214 54 A C 2.398 179.998 177.584 0.028 0.000 1.183 54 A CA 1.361 53.417 52.037 0.032 0.000 0.622 54 A CB -0.508 18.512 19.000 0.034 0.000 0.824 54 A HN 0.272 nan 8.150 nan 0.000 0.444 55 A N 0.064 122.913 122.820 0.048 0.000 1.902 55 A HA -0.185 4.013 4.320 -0.203 0.000 0.217 55 A C 2.129 179.720 177.584 0.011 0.000 1.181 55 A CA 2.048 54.099 52.037 0.023 0.000 0.623 55 A CB -0.481 18.559 19.000 0.068 0.000 0.818 55 A HN 0.540 nan 8.150 nan 0.000 0.443 56 K N -0.072 120.384 120.400 0.094 0.000 1.978 56 K HA -0.185 4.014 4.320 -0.203 0.000 0.214 56 K C 1.963 178.569 176.600 0.009 0.000 1.049 56 K CA 1.775 58.096 56.287 0.057 0.000 0.939 56 K CB -0.265 32.348 32.500 0.190 0.000 0.721 56 K HN 0.382 nan 8.250 nan 0.000 0.441 57 K N -0.712 119.702 120.400 0.023 0.000 2.242 57 K HA -0.180 4.018 4.320 -0.203 0.000 0.206 57 K C 1.837 178.430 176.600 -0.012 0.000 1.045 57 K CA 1.410 57.700 56.287 0.005 0.000 0.930 57 K CB -0.224 32.282 32.500 0.010 0.000 0.726 57 K HN 0.423 nan 8.250 nan 0.000 0.462 58 G N -0.972 107.815 108.800 -0.021 0.000 2.939 58 G HA2 0.177 4.016 3.960 -0.203 0.000 0.210 58 G HA3 0.177 4.016 3.960 -0.203 0.000 0.210 58 G C 0.837 175.703 174.900 -0.056 0.000 1.160 58 G CA 0.503 45.581 45.100 -0.036 0.000 0.770 58 G HN 0.426 nan 8.290 nan 0.000 0.543 59 G N -1.307 107.454 108.800 -0.064 0.000 2.485 59 G HA2 0.213 4.052 3.960 -0.203 0.000 0.181 59 G HA3 0.213 4.052 3.960 -0.203 0.000 0.181 59 G C 0.538 175.368 174.900 -0.118 0.000 0.999 59 G CA 0.038 45.089 45.100 -0.082 0.000 0.721 59 G HN 1.109 nan 8.290 nan 0.000 0.486 60 A N 0.927 123.652 122.820 -0.158 0.000 2.511 60 A HA 0.572 4.770 4.320 -0.203 0.000 0.242 60 A C 1.571 178.927 177.584 -0.380 0.000 1.069 60 A CA 1.848 53.714 52.037 -0.284 0.000 0.763 60 A CB 0.311 19.079 19.000 -0.387 0.000 1.001 60 A HN 1.414 nan 8.150 nan 0.000 0.498 61 T N 0.078 114.373 114.554 -0.431 0.000 3.000 61 T HA 0.451 4.680 4.350 -0.203 0.000 0.248 61 T C 0.795 175.031 174.700 -0.773 0.000 1.034 61 T CA 0.607 62.461 62.100 -0.410 0.000 1.060 61 T CB 0.051 68.824 68.868 -0.157 0.000 0.983 61 T HN 1.261 nan 8.240 nan 0.000 0.482 62 G N 0.118 108.039 108.800 -1.465 0.000 2.569 62 G HA2 0.638 4.477 3.960 -0.203 0.000 0.300 62 G HA3 0.638 4.477 3.960 -0.203 0.000 0.300 62 G C -1.784 172.108 174.900 -1.681 0.000 1.269 62 G CA -1.052 42.767 45.100 -2.135 0.000 0.959 62 G HN 0.222 nan 8.290 nan 0.000 0.478 63 F N -0.357 119.215 119.950 -0.631 0.000 2.540 63 F HA 0.501 4.906 4.527 -0.204 0.000 0.317 63 F C 0.294 176.066 175.800 -0.046 0.000 1.104 63 F CA -0.780 57.088 58.000 -0.221 0.000 0.913 63 F CB 2.075 40.988 39.000 -0.145 0.000 1.170 63 F HN 0.383 nan 8.300 nan 0.000 0.450 64 C N 2.530 121.960 119.300 0.217 0.000 2.366 64 C HA 0.910 5.248 4.460 -0.203 0.000 0.345 64 C C -0.035 175.043 174.990 0.146 0.000 1.209 64 C CA -0.739 58.376 59.018 0.161 0.000 2.050 64 C CB 1.496 29.328 27.740 0.154 0.000 2.359 64 C HN 0.729 nan 8.230 nan 0.000 0.527 65 V N 1.132 121.098 119.914 0.087 0.000 3.232 65 V HA 0.701 4.700 4.120 -0.203 0.000 0.303 65 V C 0.340 176.457 176.094 0.038 0.000 1.311 65 V CA 0.261 62.602 62.300 0.068 0.000 1.061 65 V CB 2.182 34.030 31.823 0.041 0.000 1.085 65 V HN 0.973 nan 8.190 nan 0.000 0.447 66 A N 2.479 125.313 122.820 0.025 0.000 1.942 66 A HA 0.526 4.724 4.320 -0.203 0.000 0.209 66 A C 0.509 178.097 177.584 0.007 0.000 1.214 66 A CA 0.556 52.599 52.037 0.011 0.000 0.686 66 A CB -0.043 18.956 19.000 -0.002 0.000 0.871 66 A HN 0.597 nan 8.150 nan 0.000 0.460 67 L N -1.689 119.535 121.223 0.001 0.000 2.298 67 L HA 0.447 4.665 4.340 -0.203 0.000 0.268 67 L C 1.166 178.029 176.870 -0.011 0.000 1.010 67 L CA -0.799 54.041 54.840 0.000 0.000 0.812 67 L CB 0.856 42.910 42.059 -0.008 0.000 1.331 67 L HN 0.226 nan 8.230 nan 0.000 0.450 68 L N 0.228 121.445 121.223 -0.010 0.000 2.109 68 L HA -0.067 4.151 4.340 -0.203 0.000 0.207 68 L C 1.929 178.740 176.870 -0.098 0.000 1.086 68 L CA 1.721 56.541 54.840 -0.032 0.000 0.760 68 L CB -0.556 41.495 42.059 -0.014 0.000 0.910 68 L HN 0.569 nan 8.230 nan 0.000 0.437 69 D N -0.079 120.263 120.400 -0.097 0.000 2.123 69 D HA -0.221 4.297 4.640 -0.203 0.000 0.196 69 D C 1.939 178.175 176.300 -0.106 0.000 0.992 69 D CA 1.671 55.603 54.000 -0.113 0.000 0.833 69 D CB 0.066 40.817 40.800 -0.082 0.000 0.954 69 D HN 0.567 nan 8.370 nan 0.000 0.455 70 E N 0.750 120.907 120.200 -0.073 0.000 2.106 70 E HA -0.112 4.117 4.350 -0.203 0.000 0.192 70 E C 2.159 178.704 176.600 -0.091 0.000 0.984 70 E CA 0.813 57.176 56.400 -0.061 0.000 0.806 70 E CB -0.010 29.674 29.700 -0.026 0.000 0.750 70 E HN 0.175 nan 8.360 nan 0.000 0.458 71 A N 1.672 124.432 122.820 -0.099 0.000 1.865 71 A HA -0.213 3.985 4.320 -0.203 0.000 0.217 71 A C 2.317 179.769 177.584 -0.220 0.000 1.191 71 A CA 1.825 53.789 52.037 -0.121 0.000 0.623 71 A CB -0.785 18.162 19.000 -0.089 0.000 0.826 71 A HN 0.345 nan 8.150 nan 0.000 0.444 72 I N -1.257 119.112 120.570 -0.335 0.000 2.361 72 I HA -0.171 3.877 4.170 -0.203 0.000 0.251 72 I C 1.985 177.925 176.117 -0.295 0.000 1.133 72 I CA 2.273 63.250 61.300 -0.537 0.000 1.413 72 I CB -0.821 36.782 38.000 -0.661 0.000 1.073 72 I HN 0.510 nan 8.210 nan 0.000 0.424 73 E N 1.484 121.570 120.200 -0.190 0.000 2.038 73 E HA -0.207 4.021 4.350 -0.203 0.000 0.195 73 E C 2.209 178.734 176.600 -0.126 0.000 1.000 73 E CA 1.746 58.071 56.400 -0.125 0.000 0.803 73 E CB -0.232 29.414 29.700 -0.089 0.000 0.750 73 E HN 0.654 nan 8.360 nan 0.000 0.448 74 L N 0.389 121.523 121.223 -0.149 0.000 2.127 74 L HA -0.193 4.026 4.340 -0.203 0.000 0.211 74 L C 2.831 179.607 176.870 -0.156 0.000 1.089 74 L CA 0.819 55.548 54.840 -0.185 0.000 0.757 74 L CB -0.408 41.505 42.059 -0.244 0.000 0.899 74 L HN 0.095 nan 8.230 nan 0.000 0.434 75 R N 0.457 120.881 120.500 -0.128 0.000 2.066 75 R HA -0.129 4.090 4.340 -0.203 0.000 0.232 75 R C 2.061 178.352 176.300 -0.015 0.000 1.131 75 R CA 1.286 57.356 56.100 -0.050 0.000 0.955 75 R CB -0.557 29.737 30.300 -0.010 0.000 0.851 75 R HN 0.482 nan 8.270 nan 0.000 0.432 76 E N 0.305 120.488 120.200 -0.029 0.000 2.204 76 E HA -0.098 4.131 4.350 -0.203 0.000 0.195 76 E C 1.544 178.130 176.600 -0.023 0.000 0.990 76 E CA 1.040 57.440 56.400 -0.000 0.000 0.821 76 E CB -0.017 29.679 29.700 -0.008 0.000 0.750 76 E HN 0.289 nan 8.360 nan 0.000 0.477 77 A N 0.074 122.860 122.820 -0.056 0.000 2.238 77 A HA 0.235 4.434 4.320 -0.203 0.000 0.208 77 A C 1.719 179.264 177.584 -0.065 0.000 1.177 77 A CA 0.850 52.846 52.037 -0.067 0.000 0.804 77 A CB -0.152 18.788 19.000 -0.099 0.000 0.823 77 A HN 0.337 nan 8.150 nan 0.000 0.482 78 G N -1.815 106.954 108.800 -0.052 0.000 2.176 78 G HA2 -0.188 3.650 3.960 -0.203 0.000 0.232 78 G HA3 -0.188 3.650 3.960 -0.203 0.000 0.232 78 G C 0.160 175.026 174.900 -0.056 0.000 0.986 78 G CA -0.040 45.037 45.100 -0.039 0.000 0.643 78 G HN 0.737 nan 8.290 nan 0.000 0.522 79 V N 1.755 121.605 119.914 -0.107 0.000 2.425 79 V HA 0.140 4.138 4.120 -0.203 0.000 0.276 79 V C 1.374 177.436 176.094 -0.053 0.000 1.017 79 V CA 1.210 63.422 62.300 -0.147 0.000 1.062 79 V CB 1.089 32.703 31.823 -0.348 0.000 0.997 79 V HN 0.557 nan 8.190 nan 0.000 0.476 80 Q N 1.854 121.655 119.800 0.001 0.000 2.282 80 Q HA 0.120 4.339 4.340 -0.203 0.000 0.206 80 Q C -0.049 175.991 176.000 0.067 0.000 0.878 80 Q CA -0.164 55.661 55.803 0.036 0.000 0.944 80 Q CB 0.586 29.344 28.738 0.034 0.000 1.100 80 Q HN 0.817 nan 8.270 nan 0.000 0.509 81 D N 2.058 122.525 120.400 0.111 0.000 2.393 81 D HA 0.124 4.642 4.640 -0.203 0.000 0.246 81 D C -2.386 173.976 176.300 0.104 0.000 1.275 81 D CA -1.216 52.857 54.000 0.122 0.000 0.979 81 D CB 0.062 40.994 40.800 0.219 0.000 1.101 81 D HN -0.107 nan 8.370 nan 0.000 0.505 82 P HA 0.265 nan 4.420 nan 0.000 0.275 82 P C -0.743 176.586 177.300 0.048 0.000 1.227 82 P CA 0.040 63.182 63.100 0.070 0.000 0.781 82 P CB 0.586 32.361 31.700 0.126 0.000 0.906 83 I N 3.148 123.774 120.570 0.093 0.000 2.439 83 I HA 0.272 4.320 4.170 -0.203 0.000 0.285 83 I C -0.542 175.611 176.117 0.060 0.000 1.021 83 I CA -1.013 60.339 61.300 0.087 0.000 1.091 83 I CB 1.602 39.639 38.000 0.061 0.000 1.242 83 I HN 0.148 nan 8.210 nan 0.000 0.439 84 L N 8.282 129.526 121.223 0.035 0.000 2.275 84 L HA 0.547 4.766 4.340 -0.203 0.000 0.288 84 L C -0.571 176.268 176.870 -0.053 0.000 1.046 84 L CA 0.037 54.823 54.840 -0.090 0.000 0.805 84 L CB 0.971 42.857 42.059 -0.289 0.000 1.193 84 L HN 0.399 nan 8.230 nan 0.000 0.426 85 I N 6.796 127.338 120.570 -0.047 0.000 2.301 85 I HA 0.089 4.137 4.170 -0.203 0.000 0.292 85 I C 0.899 176.999 176.117 -0.028 0.000 1.046 85 I CA -0.257 61.034 61.300 -0.015 0.000 1.282 85 I CB 1.137 39.144 38.000 0.011 0.000 1.409 85 I HN 0.737 nan 8.210 nan 0.000 0.484 86 L N 4.475 125.693 121.223 -0.010 0.000 2.622 86 L HA -0.027 4.191 4.340 -0.203 0.000 0.233 86 L C 1.114 178.013 176.870 0.048 0.000 1.156 86 L CA 0.696 55.552 54.840 0.026 0.000 0.866 86 L CB -0.440 41.632 42.059 0.022 0.000 0.980 86 L HN 0.551 nan 8.230 nan 0.000 0.448 87 S N -1.685 114.022 115.700 0.010 0.000 2.810 87 S HA 0.546 4.895 4.470 -0.203 0.000 0.315 87 S C -0.330 174.236 174.600 -0.058 0.000 1.138 87 S CA -0.660 57.531 58.200 -0.015 0.000 0.889 87 S CB 1.631 64.826 63.200 -0.008 0.000 1.236 87 S HN -0.209 nan 8.310 nan 0.000 0.548 88 V N 2.142 122.006 119.914 -0.083 0.000 2.686 88 V HA 0.360 4.358 4.120 -0.203 0.000 0.295 88 V C -0.314 175.765 176.094 -0.024 0.000 1.055 88 V CA -0.199 62.013 62.300 -0.146 0.000 1.050 88 V CB 1.176 32.923 31.823 -0.127 0.000 0.984 88 V HN 0.591 nan 8.190 nan 0.000 0.482 89 V N 3.564 123.488 119.914 0.016 0.000 2.459 89 V HA 0.275 4.273 4.120 -0.203 0.000 0.295 89 V C 0.146 176.480 176.094 0.401 0.000 1.029 89 V CA -0.779 61.658 62.300 0.229 0.000 0.874 89 V CB 1.765 33.752 31.823 0.274 0.000 0.985 89 V HN 0.921 nan 8.190 nan 0.000 0.438 90 D N 3.479 124.061 120.400 0.305 0.000 2.472 90 D HA 0.015 4.534 4.640 -0.203 0.000 0.248 90 D C 1.287 177.644 176.300 0.095 0.000 1.174 90 D CA 0.258 54.347 54.000 0.148 0.000 0.883 90 D CB 1.035 41.794 40.800 -0.068 0.000 1.149 90 D HN 0.496 nan 8.370 nan 0.000 0.488 91 L N 3.959 125.229 121.223 0.079 0.000 2.151 91 L HA -0.290 3.928 4.340 -0.203 0.000 0.215 91 L C 2.464 179.260 176.870 -0.123 0.000 1.084 91 L CA 1.628 56.411 54.840 -0.094 0.000 0.764 91 L CB -0.466 41.434 42.059 -0.266 0.000 0.891 91 L HN 0.498 nan 8.230 nan 0.000 0.435 92 A N -1.256 121.410 122.820 -0.258 0.000 2.225 92 A HA -0.166 4.033 4.320 -0.203 0.000 0.215 92 A C 1.502 178.948 177.584 -0.230 0.000 1.164 92 A CA 1.122 52.968 52.037 -0.318 0.000 0.710 92 A CB -0.664 18.053 19.000 -0.470 0.000 0.780 92 A HN 0.615 nan 8.150 nan 0.000 0.473 93 Y N -2.318 118.042 120.300 0.101 0.000 2.612 93 Y HA 0.156 4.584 4.550 -0.203 0.000 0.250 93 Y C 1.751 177.742 175.900 0.153 0.000 1.175 93 Y CA -0.486 57.688 58.100 0.122 0.000 1.205 93 Y CB 0.414 38.953 38.460 0.131 0.000 1.201 93 Y HN 0.057 nan 8.280 nan 0.000 0.532 94 V N 2.305 122.362 119.914 0.238 0.000 2.282 94 V HA -0.251 3.747 4.120 -0.203 0.000 0.249 94 V C -0.276 175.937 176.094 0.200 0.000 1.057 94 V CA 2.045 64.482 62.300 0.228 0.000 1.032 94 V CB -1.490 30.391 31.823 0.097 0.000 0.645 94 V HN 0.304 nan 8.190 nan 0.000 0.447 95 P HA -0.143 nan 4.420 nan 0.000 0.222 95 P C 1.810 179.198 177.300 0.146 0.000 1.147 95 P CA 1.377 64.550 63.100 0.122 0.000 0.790 95 P CB -0.000 31.752 31.700 0.087 0.000 0.780 96 L N -1.163 120.185 121.223 0.208 0.000 2.217 96 L HA -0.051 4.168 4.340 -0.203 0.000 0.211 96 L C 2.702 179.753 176.870 0.302 0.000 1.107 96 L CA 0.735 55.727 54.840 0.252 0.000 0.783 96 L CB -0.638 41.588 42.059 0.279 0.000 0.919 96 L HN -0.088 nan 8.230 nan 0.000 0.442 97 L N -0.803 120.580 121.223 0.268 0.000 2.093 97 L HA -0.211 4.008 4.340 -0.203 0.000 0.208 97 L C 2.368 179.375 176.870 0.229 0.000 1.085 97 L CA 1.030 56.027 54.840 0.262 0.000 0.755 97 L CB -0.270 41.960 42.059 0.285 0.000 0.904 97 L HN 0.195 nan 8.230 nan 0.000 0.435 98 I N -0.485 120.196 120.570 0.185 0.000 2.277 98 I HA -0.258 3.790 4.170 -0.203 0.000 0.243 98 I C 2.665 178.832 176.117 0.084 0.000 1.094 98 I CA 1.182 62.561 61.300 0.132 0.000 1.393 98 I CB -0.486 37.573 38.000 0.098 0.000 1.078 98 I HN 0.248 nan 8.210 nan 0.000 0.417 99 Q N 0.067 119.893 119.800 0.044 0.000 2.152 99 Q HA -0.246 3.972 4.340 -0.203 0.000 0.206 99 Q C 1.343 177.226 176.000 -0.194 0.000 0.985 99 Q CA 2.034 57.768 55.803 -0.115 0.000 0.863 99 Q CB -0.099 28.509 28.738 -0.217 0.000 0.904 99 Q HN 0.613 nan 8.270 nan 0.000 0.422 100 Y N -0.019 120.317 120.300 0.059 0.000 2.507 100 Y HA 0.153 4.582 4.550 -0.201 0.000 0.254 100 Y C -0.453 175.485 175.900 0.063 0.000 1.171 100 Y CA -0.133 57.996 58.100 0.050 0.000 1.238 100 Y CB 0.572 39.057 38.460 0.040 0.000 1.148 100 Y HN 0.187 nan 8.280 nan 0.000 0.525 101 D N 1.455 121.971 120.400 0.195 0.000 3.142 101 D HA -0.203 4.315 4.640 -0.203 0.000 0.221 101 D C -1.121 175.287 176.300 0.180 0.000 1.193 101 D CA 0.653 54.754 54.000 0.167 0.000 0.900 101 D CB -0.783 40.094 40.800 0.129 0.000 0.886 101 D HN 0.321 nan 8.370 nan 0.000 0.399 102 L N 0.925 122.264 121.223 0.193 0.000 2.313 102 L HA 0.613 4.831 4.340 -0.203 0.000 0.268 102 L C 0.706 177.685 176.870 0.183 0.000 1.010 102 L CA -1.247 53.693 54.840 0.167 0.000 0.814 102 L CB 1.994 44.141 42.059 0.146 0.000 1.304 102 L HN 0.037 nan 8.230 nan 0.000 0.441 103 S N 0.465 116.257 115.700 0.154 0.000 2.541 103 S HA 0.680 5.028 4.470 -0.203 0.000 0.283 103 S C -0.316 174.348 174.600 0.106 0.000 1.196 103 S CA -0.630 57.677 58.200 0.178 0.000 1.062 103 S CB 1.898 65.183 63.200 0.141 0.000 1.009 103 S HN 0.291 nan 8.310 nan 0.000 0.502 104 V N 1.706 121.713 119.914 0.155 0.000 2.960 104 V HA 0.549 4.548 4.120 -0.203 0.000 0.315 104 V C 0.099 176.224 176.094 0.052 0.000 1.087 104 V CA -0.940 61.400 62.300 0.067 0.000 0.982 104 V CB 2.162 34.023 31.823 0.063 0.000 1.039 104 V HN 0.840 nan 8.190 nan 0.000 0.437 105 T N 2.208 116.742 114.554 -0.033 0.000 2.882 105 T HA 0.569 4.798 4.350 -0.203 0.000 0.287 105 T C -0.653 173.918 174.700 -0.215 0.000 0.992 105 T CA -0.268 61.857 62.100 0.042 0.000 1.076 105 T CB 1.575 70.501 68.868 0.096 0.000 0.961 105 T HN 0.640 nan 8.240 nan 0.000 0.490 106 V N 2.045 121.893 119.914 -0.109 0.000 2.569 106 V HA 0.710 4.709 4.120 -0.203 0.000 0.301 106 V C 0.012 175.956 176.094 -0.250 0.000 1.044 106 V CA -0.386 61.749 62.300 -0.275 0.000 0.874 106 V CB 1.299 33.054 31.823 -0.113 0.000 1.002 106 V HN 1.003 nan 8.190 nan 0.000 0.424 107 A N 4.514 127.060 122.820 -0.457 0.000 2.259 107 A HA 0.506 4.704 4.320 -0.203 0.000 0.213 107 A C 0.901 177.805 177.584 -1.134 0.000 1.209 107 A CA 0.812 52.374 52.037 -0.793 0.000 0.910 107 A CB 0.157 18.868 19.000 -0.482 0.000 0.946 107 A HN 1.174 nan 8.150 nan 0.000 0.497 108 T N -3.878 110.358 114.554 -0.530 0.000 2.908 108 T HA 0.458 4.687 4.350 -0.203 0.000 0.290 108 T C 0.347 175.092 174.700 0.075 0.000 1.034 108 T CA -0.265 61.692 62.100 -0.239 0.000 1.010 108 T CB 1.850 70.674 68.868 -0.072 0.000 1.068 108 T HN 0.134 nan 8.240 nan 0.000 0.481 109 Q N -0.086 119.814 119.800 0.167 0.000 2.269 109 Q HA -0.040 4.178 4.340 -0.203 0.000 0.201 109 Q C 1.424 177.401 176.000 -0.037 0.000 0.946 109 Q CA 1.095 56.936 55.803 0.064 0.000 0.877 109 Q CB 0.003 28.718 28.738 -0.038 0.000 0.963 109 Q HN 0.821 nan 8.270 nan 0.000 0.472 110 E N -0.370 119.834 120.200 0.007 0.000 2.209 110 E HA -0.199 4.029 4.350 -0.203 0.000 0.196 110 E C 0.975 177.594 176.600 0.032 0.000 0.993 110 E CA 1.129 57.523 56.400 -0.010 0.000 0.819 110 E CB -0.290 29.414 29.700 0.006 0.000 0.745 110 E HN 0.485 nan 8.360 nan 0.000 0.477 111 W N 0.667 121.935 121.300 -0.054 0.000 2.378 111 W HA -0.065 4.474 4.660 -0.202 0.000 0.313 111 W C 1.625 178.154 176.519 0.017 0.000 1.197 111 W CA 1.263 58.599 57.345 -0.015 0.000 1.304 111 W CB -0.243 29.207 29.460 -0.018 0.000 1.148 111 W HN 0.001 nan 8.180 nan 0.000 0.494 112 L N 0.431 121.847 121.223 0.323 0.000 1.971 112 L HA -0.290 3.928 4.340 -0.203 0.000 0.215 112 L C 2.401 179.377 176.870 0.175 0.000 1.072 112 L CA 2.060 57.031 54.840 0.217 0.000 0.758 112 L CB -1.178 40.901 42.059 0.032 0.000 0.889 112 L HN 0.044 nan 8.230 nan 0.000 0.433 113 E N -0.176 119.975 120.200 -0.082 0.000 2.171 113 E HA -0.237 3.992 4.350 -0.203 0.000 0.197 113 E C 2.042 178.652 176.600 0.018 0.000 0.997 113 E CA 1.187 57.566 56.400 -0.034 0.000 0.810 113 E CB -0.142 29.446 29.700 -0.187 0.000 0.738 113 E HN 0.543 nan 8.360 nan 0.000 0.467 114 A N 0.684 123.457 122.820 -0.079 0.000 2.132 114 A HA 0.259 4.458 4.320 -0.203 0.000 0.213 114 A C 2.176 179.638 177.584 -0.203 0.000 1.154 114 A CA 0.777 52.728 52.037 -0.144 0.000 0.753 114 A CB 0.055 18.933 19.000 -0.203 0.000 0.826 114 A HN 0.238 nan 8.150 nan 0.000 0.469 115 A N -0.120 122.568 122.820 -0.220 0.000 2.067 115 A HA 0.134 4.333 4.320 -0.203 0.000 0.217 115 A C 1.972 179.528 177.584 -0.046 0.000 1.156 115 A CA 0.835 52.742 52.037 -0.217 0.000 0.683 115 A CB -0.453 18.433 19.000 -0.191 0.000 0.808 115 A HN 0.444 nan 8.150 nan 0.000 0.455 116 L N 0.325 121.564 121.223 0.026 0.000 2.042 116 L HA -0.245 3.974 4.340 -0.203 0.000 0.210 116 L C 2.636 179.456 176.870 -0.084 0.000 1.076 116 L CA 1.588 56.379 54.840 -0.083 0.000 0.749 116 L CB -0.579 41.450 42.059 -0.051 0.000 0.893 116 L HN 0.656 nan 8.230 nan 0.000 0.432 117 Q N -0.051 119.714 119.800 -0.057 0.000 2.547 117 Q HA -0.181 4.037 4.340 -0.203 0.000 0.217 117 Q C 0.974 176.940 176.000 -0.056 0.000 0.978 117 Q CA 0.923 56.696 55.803 -0.050 0.000 0.962 117 Q CB -0.007 28.705 28.738 -0.043 0.000 0.990 117 Q HN 0.653 nan 8.270 nan 0.000 0.538 118 Q N -0.629 119.130 119.800 -0.068 0.000 2.171 118 Q HA 0.184 4.402 4.340 -0.203 0.000 0.250 118 Q C 0.503 176.473 176.000 -0.050 0.000 0.791 118 Q CA -0.069 55.702 55.803 -0.053 0.000 0.950 118 Q CB 0.843 29.547 28.738 -0.056 0.000 1.151 118 Q HN 0.207 nan 8.270 nan 0.000 0.480 119 L N 0.024 121.197 121.223 -0.083 0.000 2.769 119 L HA 0.173 4.392 4.340 -0.203 0.000 0.240 119 L C 1.575 178.381 176.870 -0.107 0.000 1.163 119 L CA 0.668 55.447 54.840 -0.101 0.000 0.962 119 L CB 0.350 42.300 42.059 -0.181 0.000 1.258 119 L HN 0.048 nan 8.230 nan 0.000 0.513 120 T N 1.039 115.544 114.554 -0.082 0.000 2.622 120 T HA -0.092 4.136 4.350 -0.203 0.000 0.266 120 T C -0.309 174.365 174.700 -0.043 0.000 1.047 120 T CA 1.766 63.830 62.100 -0.061 0.000 1.159 120 T CB -0.912 67.932 68.868 -0.041 0.000 0.863 120 T HN 0.287 nan 8.240 nan 0.000 0.422 121 P HA 0.078 nan 4.420 nan 0.000 0.239 121 P C 0.045 177.331 177.300 -0.024 0.000 1.184 121 P CA 0.528 63.614 63.100 -0.023 0.000 0.760 121 P CB 0.050 31.740 31.700 -0.017 0.000 0.884 122 E N 0.560 120.740 120.200 -0.033 0.000 2.373 122 E HA 0.102 4.331 4.350 -0.203 0.000 0.267 122 E C 1.221 177.805 176.600 -0.026 0.000 1.032 122 E CA 0.202 56.584 56.400 -0.029 0.000 0.889 122 E CB 1.145 30.821 29.700 -0.039 0.000 0.984 122 E HN 0.196 nan 8.360 nan 0.000 0.425 123 S N 1.899 117.591 115.700 -0.014 0.000 2.575 123 S HA 0.089 4.438 4.470 -0.203 0.000 0.230 123 S C 0.643 175.242 174.600 -0.001 0.000 1.062 123 S CA -0.295 57.899 58.200 -0.009 0.000 0.913 123 S CB 0.511 63.708 63.200 -0.006 0.000 0.837 123 S HN 0.483 nan 8.310 nan 0.000 0.487 124 N N 0.078 118.780 118.700 0.003 0.000 2.545 124 N HA 0.307 4.926 4.740 -0.203 0.000 0.289 124 N C -1.011 174.511 175.510 0.021 0.000 1.279 124 N CA 0.426 53.485 53.050 0.014 0.000 0.824 124 N CB 1.695 40.189 38.487 0.012 0.000 1.395 124 N HN 0.138 nan 8.380 nan 0.000 0.526 125 T N -0.608 113.968 114.554 0.036 0.000 5.155 125 T HA -0.082 4.146 4.350 -0.203 0.000 0.277 125 T C -2.582 172.166 174.700 0.080 0.000 1.935 125 T CA -0.180 61.952 62.100 0.053 0.000 3.323 125 T CB -1.865 67.030 68.868 0.046 0.000 1.185 125 T HN 0.603 nan 8.240 nan 0.000 1.032 126 P HA 0.154 nan 4.420 nan 0.000 0.269 126 P C 0.115 177.529 177.300 0.189 0.000 1.205 126 P CA -0.611 62.560 63.100 0.117 0.000 0.780 126 P CB 0.395 32.180 31.700 0.142 0.000 0.858 127 L N 3.475 124.859 121.223 0.269 0.000 2.283 127 L HA 0.180 4.398 4.340 -0.203 0.000 0.287 127 L C 0.136 177.246 176.870 0.401 0.000 1.073 127 L CA -0.268 54.789 54.840 0.362 0.000 0.822 127 L CB -0.327 42.036 42.059 0.506 0.000 1.186 127 L HN 0.387 nan 8.230 nan 0.000 0.436 128 R N 4.056 124.752 120.500 0.327 0.000 2.413 128 R HA 0.219 4.438 4.340 -0.203 0.000 0.333 128 R C -0.172 176.360 176.300 0.386 0.000 1.074 128 R CA -0.102 56.195 56.100 0.329 0.000 0.982 128 R CB 0.120 30.603 30.300 0.304 0.000 0.981 128 R HN 0.536 nan 8.270 nan 0.000 0.452 129 V N -0.095 120.052 119.914 0.389 0.000 2.532 129 V HA 0.405 4.404 4.120 -0.203 0.000 0.295 129 V C -0.089 176.266 176.094 0.434 0.000 1.041 129 V CA -0.689 61.844 62.300 0.388 0.000 0.926 129 V CB 1.709 33.706 31.823 0.290 0.000 0.992 129 V HN 0.683 nan 8.190 nan 0.000 0.457 130 H N 4.304 123.556 119.070 0.303 0.000 2.589 130 H HA 0.516 4.951 4.556 -0.202 0.000 0.335 130 H C -1.339 174.299 175.328 0.516 0.000 1.019 130 H CA -0.649 55.630 56.048 0.385 0.000 1.213 130 H CB 2.043 31.914 29.762 0.182 0.000 1.472 130 H HN 0.479 nan 8.280 nan 0.000 0.508 131 L N 3.381 125.003 121.223 0.666 0.000 2.292 131 L HA 0.257 4.475 4.340 -0.203 0.000 0.284 131 L C 0.438 177.563 176.870 0.424 0.000 1.065 131 L CA 0.027 55.193 54.840 0.543 0.000 0.806 131 L CB 0.853 43.195 42.059 0.472 0.000 1.175 131 L HN 0.400 nan 8.230 nan 0.000 0.431 132 K N 2.201 122.671 120.400 0.117 0.000 2.235 132 K HA 0.620 4.819 4.320 -0.203 0.000 0.266 132 K C -1.339 175.203 176.600 -0.097 0.000 0.980 132 K CA -0.581 55.458 56.287 -0.413 0.000 0.849 132 K CB 1.916 33.951 32.500 -0.775 0.000 1.098 132 K HN 0.421 nan 8.250 nan 0.000 0.445 133 V N 4.690 124.564 119.914 -0.066 0.000 2.417 133 V HA 0.109 4.107 4.120 -0.203 0.000 0.291 133 V C 0.784 176.846 176.094 -0.053 0.000 1.024 133 V CA -0.336 62.001 62.300 0.062 0.000 0.861 133 V CB 1.447 33.354 31.823 0.141 0.000 0.985 133 V HN 0.996 nan 8.190 nan 0.000 0.436 134 D N 4.101 124.468 120.400 -0.054 0.000 2.137 134 D HA -0.224 4.294 4.640 -0.203 0.000 0.193 134 D C 1.597 177.848 176.300 -0.081 0.000 0.993 134 D CA 3.401 57.353 54.000 -0.079 0.000 0.846 134 D CB 0.134 40.905 40.800 -0.048 0.000 0.990 134 D HN 1.392 nan 8.370 nan 0.000 0.448 135 T N -4.606 109.918 114.554 -0.049 0.000 8.709 135 T HA -0.226 4.003 4.350 -0.203 0.000 0.337 135 T C 1.108 175.738 174.700 -0.116 0.000 1.937 135 T CA 2.524 64.578 62.100 -0.076 0.000 2.878 135 T CB -1.850 66.960 68.868 -0.097 0.000 2.537 135 T HN 0.787 nan 8.240 nan 0.000 1.198 136 G N -0.579 108.189 108.800 -0.053 0.000 3.465 136 G HA2 0.052 3.890 3.960 -0.203 0.000 0.219 136 G HA3 0.052 3.890 3.960 -0.203 0.000 0.219 136 G C 0.737 175.748 174.900 0.184 0.000 0.984 136 G CA 0.672 45.800 45.100 0.045 0.000 0.864 136 G HN 0.373 nan 8.290 nan 0.000 0.485 137 M N 1.376 121.022 119.600 0.077 0.000 2.213 137 M HA 0.161 4.519 4.480 -0.203 0.000 0.263 137 M C 2.160 178.496 176.300 0.059 0.000 1.062 137 M CA 2.215 57.563 55.300 0.081 0.000 1.105 137 M CB -1.159 31.473 32.600 0.052 0.000 1.385 137 M HN 1.325 nan 8.290 nan 0.000 0.417 138 G N 0.515 109.336 108.800 0.035 0.000 2.148 138 G HA2 -0.334 3.505 3.960 -0.203 0.000 0.254 138 G HA3 -0.334 3.505 3.960 -0.203 0.000 0.254 138 G C 1.016 175.912 174.900 -0.006 0.000 0.981 138 G CA 0.985 46.095 45.100 0.017 0.000 0.670 138 G HN 0.578 nan 8.290 nan 0.000 0.528 139 R N -0.058 120.433 120.500 -0.015 0.000 2.102 139 R HA 0.612 4.830 4.340 -0.203 0.000 0.208 139 R C 1.380 177.646 176.300 -0.057 0.000 1.131 139 R CA 1.074 57.157 56.100 -0.027 0.000 1.054 139 R CB 0.145 30.437 30.300 -0.013 0.000 0.954 139 R HN 1.137 nan 8.270 nan 0.000 0.465 140 I N -3.472 117.047 120.570 -0.085 0.000 2.984 140 I HA 0.747 4.796 4.170 -0.203 0.000 0.303 140 I C -1.018 174.985 176.117 -0.190 0.000 1.381 140 I CA -0.630 60.589 61.300 -0.135 0.000 0.988 140 I CB 2.539 40.454 38.000 -0.142 0.000 1.307 140 I HN 0.371 nan 8.210 nan 0.000 0.460 141 G N 2.166 110.806 108.800 -0.267 0.000 2.525 141 G HA2 0.112 3.951 3.960 -0.203 0.000 0.685 141 G HA3 0.112 3.951 3.960 -0.203 0.000 0.685 141 G C -1.038 173.696 174.900 -0.276 0.000 1.285 141 G CA -1.046 43.853 45.100 -0.333 0.000 0.849 141 G HN 0.766 nan 8.290 nan 0.000 0.653 142 F N 0.264 120.164 119.950 -0.084 0.000 2.607 142 F HA 0.353 4.759 4.527 -0.202 0.000 0.374 142 F C 1.654 177.416 175.800 -0.062 0.000 1.104 142 F CA 0.115 58.076 58.000 -0.065 0.000 1.296 142 F CB 0.580 39.543 39.000 -0.063 0.000 1.085 142 F HN 0.428 nan 8.300 nan 0.000 0.584 143 L N 0.532 121.825 121.223 0.117 0.000 3.141 143 L HA 0.460 4.678 4.340 -0.203 0.000 0.267 143 L C -0.075 176.820 176.870 0.040 0.000 1.281 143 L CA -0.212 54.658 54.840 0.051 0.000 1.037 143 L CB -0.428 41.641 42.059 0.017 0.000 1.407 143 L HN 0.579 nan 8.230 nan 0.000 0.566 144 T N -1.926 112.658 114.554 0.049 0.000 3.159 144 T HA 0.473 4.702 4.350 -0.203 0.000 0.343 144 T C -2.520 172.166 174.700 -0.024 0.000 1.364 144 T CA -0.660 61.446 62.100 0.008 0.000 1.102 144 T CB 2.044 70.916 68.868 0.008 0.000 1.263 144 T HN -0.138 nan 8.240 nan 0.000 0.477 145 P HA -0.051 nan 4.420 nan 0.000 0.216 145 P C 1.265 178.512 177.300 -0.088 0.000 1.150 145 P CA 0.775 63.830 63.100 -0.075 0.000 0.837 145 P CB 0.314 31.975 31.700 -0.065 0.000 0.786 146 E N 0.568 120.728 120.200 -0.066 0.000 2.038 146 E HA -0.152 4.076 4.350 -0.203 0.000 0.195 146 E C 0.798 177.338 176.600 -0.100 0.000 1.000 146 E CA 1.288 57.647 56.400 -0.069 0.000 0.803 146 E CB -0.696 28.977 29.700 -0.045 0.000 0.750 146 E HN 0.303 nan 8.360 nan 0.000 0.448 147 E N -1.337 118.807 120.200 -0.093 0.000 2.766 147 E HA 0.051 4.279 4.350 -0.203 0.000 0.261 147 E C 0.954 177.364 176.600 -0.317 0.000 1.427 147 E CA 0.935 57.246 56.400 -0.149 0.000 1.085 147 E CB 0.296 29.984 29.700 -0.020 0.000 1.074 147 E HN 0.425 nan 8.360 nan 0.000 0.651 148 T N -2.004 112.129 114.554 -0.703 0.000 12.481 148 T HA -0.350 3.878 4.350 -0.203 0.000 0.418 148 T C 1.532 175.914 174.700 -0.530 0.000 1.450 148 T CA 1.755 63.308 62.100 -0.911 0.000 2.393 148 T CB -1.143 67.424 68.868 -0.502 0.000 2.837 148 T HN 0.427 nan 8.240 nan 0.000 0.792 149 K N 1.457 121.658 120.400 -0.332 0.000 2.147 149 K HA -0.048 4.151 4.320 -0.203 0.000 0.205 149 K C 2.452 178.917 176.600 -0.225 0.000 1.049 149 K CA 2.144 58.287 56.287 -0.240 0.000 0.936 149 K CB -0.395 32.011 32.500 -0.157 0.000 0.722 149 K HN 0.807 nan 8.250 nan 0.000 0.446 150 Q N -0.691 118.975 119.800 -0.224 0.000 2.245 150 Q HA 0.012 4.231 4.340 -0.203 0.000 0.201 150 Q C 1.936 177.833 176.000 -0.170 0.000 0.955 150 Q CA 1.077 56.789 55.803 -0.152 0.000 0.870 150 Q CB -0.043 28.620 28.738 -0.125 0.000 0.945 150 Q HN 0.305 nan 8.270 nan 0.000 0.461 151 A N 0.628 123.242 122.820 -0.344 0.000 1.903 151 A HA -0.052 4.146 4.320 -0.203 0.000 0.213 151 A C 2.254 179.661 177.584 -0.295 0.000 1.185 151 A CA 1.119 52.949 52.037 -0.345 0.000 0.628 151 A CB -0.758 17.790 19.000 -0.753 0.000 0.830 151 A HN 0.196 nan 8.150 nan 0.000 0.446 152 V N 0.337 119.968 119.914 -0.472 0.000 2.261 152 V HA -0.226 3.773 4.120 -0.203 0.000 0.246 152 V C 2.486 178.305 176.094 -0.460 0.000 1.047 152 V CA 2.293 64.156 62.300 -0.728 0.000 1.015 152 V CB -0.711 30.540 31.823 -0.954 0.000 0.642 152 V HN 0.520 nan 8.190 nan 0.000 0.446 153 R N -0.668 119.671 120.500 -0.269 0.000 2.117 153 R HA -0.190 4.029 4.340 -0.203 0.000 0.243 153 R C 2.120 178.407 176.300 -0.022 0.000 1.143 153 R CA 2.285 58.308 56.100 -0.128 0.000 0.968 153 R CB -1.424 28.831 30.300 -0.075 0.000 0.863 153 R HN 0.706 nan 8.270 nan 0.000 0.444 154 F N 0.904 120.795 119.950 -0.098 0.000 2.146 154 F HA -0.151 4.255 4.527 -0.202 0.000 0.298 154 F C 2.125 178.015 175.800 0.150 0.000 1.096 154 F CA 1.051 59.077 58.000 0.045 0.000 1.275 154 F CB -0.098 38.914 39.000 0.020 0.000 1.008 154 F HN -0.276 nan 8.300 nan 0.000 0.480 155 V N 0.499 120.479 119.914 0.110 0.000 2.626 155 V HA -0.228 3.770 4.120 -0.203 0.000 0.252 155 V C 2.178 178.339 176.094 0.113 0.000 1.067 155 V CA 1.561 63.898 62.300 0.061 0.000 1.081 155 V CB -0.595 31.148 31.823 -0.133 0.000 0.686 155 V HN 0.389 nan 8.190 nan 0.000 0.468 156 Q N -0.493 119.301 119.800 -0.009 0.000 2.245 156 Q HA -0.003 4.215 4.340 -0.203 0.000 0.201 156 Q C 2.320 178.305 176.000 -0.025 0.000 0.955 156 Q CA 1.027 56.837 55.803 0.011 0.000 0.870 156 Q CB -0.146 28.568 28.738 -0.040 0.000 0.945 156 Q HN 0.592 nan 8.270 nan 0.000 0.461 157 S N 0.266 115.907 115.700 -0.098 0.000 2.607 157 S HA -0.004 4.344 4.470 -0.203 0.000 0.224 157 S C 0.203 174.461 174.600 -0.569 0.000 0.969 157 S CA 0.328 58.343 58.200 -0.309 0.000 0.927 157 S CB -0.013 62.947 63.200 -0.400 0.000 0.772 157 S HN 0.333 nan 8.310 nan 0.000 0.533 158 H N 0.603 119.614 119.070 -0.098 0.000 2.924 158 H HA 0.165 4.600 4.556 -0.202 0.000 0.333 158 H C 0.293 175.613 175.328 -0.015 0.000 0.979 158 H CA -0.444 55.550 56.048 -0.088 0.000 1.326 158 H CB 1.207 30.874 29.762 -0.158 0.000 1.600 158 H HN 0.242 nan 8.280 nan 0.000 0.520 159 K N 1.512 121.936 120.400 0.041 0.000 2.574 159 K HA -0.088 4.111 4.320 -0.203 0.000 0.193 159 K C 0.210 176.824 176.600 0.023 0.000 1.035 159 K CA 1.193 57.508 56.287 0.046 0.000 0.982 159 K CB 0.249 32.757 32.500 0.014 0.000 0.795 159 K HN 0.313 nan 8.250 nan 0.000 0.491 160 E N 0.130 120.288 120.200 -0.070 0.000 2.418 160 E HA 0.057 4.286 4.350 -0.203 0.000 0.197 160 E C -0.547 175.917 176.600 -0.226 0.000 1.026 160 E CA 0.535 56.807 56.400 -0.214 0.000 0.862 160 E CB 0.015 29.467 29.700 -0.413 0.000 0.799 160 E HN 0.222 nan 8.360 nan 0.000 0.518 161 F N -0.268 119.759 119.950 0.128 0.000 2.523 161 F HA 0.409 4.814 4.527 -0.202 0.000 0.329 161 F C -0.024 175.879 175.800 0.173 0.000 1.061 161 F CA -1.367 56.734 58.000 0.168 0.000 0.967 161 F CB 1.307 40.419 39.000 0.187 0.000 1.218 161 F HN -0.191 nan 8.300 nan 0.000 0.480 162 L N 3.361 124.841 121.223 0.428 0.000 2.462 162 L HA 0.235 4.453 4.340 -0.203 0.000 0.255 162 L C -1.481 175.594 176.870 0.341 0.000 1.076 162 L CA -0.443 54.583 54.840 0.310 0.000 0.920 162 L CB 0.294 42.488 42.059 0.225 0.000 1.214 162 L HN 0.827 nan 8.230 nan 0.000 0.472 163 W N 4.362 125.740 121.300 0.128 0.000 2.715 163 W HA -0.012 4.526 4.660 -0.203 0.000 0.351 163 W C 1.190 177.720 176.519 0.017 0.000 1.406 163 W CA 0.508 57.895 57.345 0.071 0.000 1.354 163 W CB 0.361 29.855 29.460 0.056 0.000 1.453 163 W HN 0.714 nan 8.180 nan 0.000 0.572 164 E N 3.106 123.293 120.200 -0.022 0.000 2.340 164 E HA 0.284 4.512 4.350 -0.203 0.000 0.194 164 E C 0.828 177.085 176.600 -0.572 0.000 0.996 164 E CA 0.789 57.038 56.400 -0.251 0.000 0.869 164 E CB 0.124 29.805 29.700 -0.033 0.000 0.835 164 E HN 0.526 nan 8.360 nan 0.000 0.493 165 G N 0.270 108.664 108.800 -0.676 0.000 2.340 165 G HA2 0.377 4.216 3.960 -0.203 0.000 0.298 165 G HA3 0.377 4.216 3.960 -0.203 0.000 0.298 165 G C -1.678 173.247 174.900 0.041 0.000 1.498 165 G CA -0.571 44.241 45.100 -0.479 0.000 0.847 165 G HN 0.117 nan 8.290 nan 0.000 0.594 166 I N -0.990 119.741 120.570 0.269 0.000 2.646 166 I HA 0.962 5.011 4.170 -0.203 0.000 0.299 166 I C -0.250 176.249 176.117 0.636 0.000 1.036 166 I CA -1.855 59.775 61.300 0.551 0.000 1.074 166 I CB 1.544 39.829 38.000 0.475 0.000 1.258 166 I HN 0.831 nan 8.210 nan 0.000 0.430 167 F N 0.244 120.299 119.950 0.174 0.000 2.789 167 F HA 0.906 5.310 4.527 -0.204 0.000 0.319 167 F C -0.660 175.053 175.800 -0.145 0.000 1.168 167 F CA -0.761 57.123 58.000 -0.193 0.000 0.934 167 F CB 1.830 40.240 39.000 -0.984 0.000 1.375 167 F HN 0.715 nan 8.300 nan 0.000 0.480 168 T N -0.872 113.361 114.554 -0.535 0.000 2.792 168 T HA 0.434 4.662 4.350 -0.203 0.000 0.303 168 T C -2.497 171.927 174.700 -0.460 0.000 1.310 168 T CA -0.432 61.305 62.100 -0.605 0.000 1.007 168 T CB 1.496 69.926 68.868 -0.730 0.000 1.335 168 T HN 0.963 nan 8.240 nan 0.000 0.504 169 H N 0.869 119.636 119.070 -0.505 0.000 2.600 169 H HA 0.665 5.098 4.556 -0.204 0.000 0.357 169 H C -1.303 173.827 175.328 -0.330 0.000 1.106 169 H CA -0.945 54.908 56.048 -0.324 0.000 1.193 169 H CB 0.517 30.209 29.762 -0.116 0.000 1.594 169 H HN 0.397 nan 8.280 nan 0.000 0.526 170 F N 1.665 121.472 119.950 -0.239 0.000 2.385 170 F HA 0.183 4.588 4.527 -0.204 0.000 0.336 170 F C 1.504 177.189 175.800 -0.191 0.000 1.100 170 F CA -0.114 57.797 58.000 -0.148 0.000 1.116 170 F CB 1.686 40.711 39.000 0.041 0.000 1.166 170 F HN 0.631 nan 8.300 nan 0.000 0.511 171 S N -1.480 114.346 115.700 0.210 0.000 2.539 171 S HA 0.082 4.430 4.470 -0.203 0.000 0.221 171 S C 0.583 175.274 174.600 0.152 0.000 0.987 171 S CA 0.473 58.749 58.200 0.127 0.000 0.929 171 S CB -0.419 62.869 63.200 0.148 0.000 0.832 171 S HN 0.758 nan 8.310 nan 0.000 0.492 172 T N -2.865 111.833 114.554 0.239 0.000 3.855 172 T HA 0.586 4.814 4.350 -0.203 0.000 0.313 172 T C 1.115 175.910 174.700 0.158 0.000 0.938 172 T CA 0.204 62.413 62.100 0.182 0.000 1.011 172 T CB 0.030 69.021 68.868 0.204 0.000 1.188 172 T HN 0.266 nan 8.240 nan 0.000 0.477 173 A N 2.439 125.356 122.820 0.162 0.000 2.019 173 A HA -0.028 4.171 4.320 -0.203 0.000 0.219 173 A C 2.033 179.749 177.584 0.219 0.000 1.164 173 A CA 1.511 53.559 52.037 0.020 0.000 0.644 173 A CB -0.419 18.647 19.000 0.111 0.000 0.805 173 A HN 0.748 nan 8.150 nan 0.000 0.449 174 D N -0.744 119.788 120.400 0.220 0.000 2.339 174 D HA 0.064 4.582 4.640 -0.203 0.000 0.217 174 D C 0.038 176.322 176.300 -0.027 0.000 1.050 174 D CA 0.011 54.123 54.000 0.187 0.000 0.856 174 D CB -0.094 40.852 40.800 0.243 0.000 0.922 174 D HN 0.289 nan 8.370 nan 0.000 0.518 175 E N 0.303 120.507 120.200 0.008 0.000 2.259 175 E HA 0.290 4.518 4.350 -0.203 0.000 0.281 175 E C 1.219 177.780 176.600 -0.065 0.000 1.027 175 E CA -0.360 56.022 56.400 -0.031 0.000 0.838 175 E CB 1.450 31.161 29.700 0.018 0.000 1.066 175 E HN -0.027 nan 8.360 nan 0.000 0.401 176 I N 1.300 121.807 120.570 -0.104 0.000 2.208 176 I HA -0.208 3.840 4.170 -0.203 0.000 0.245 176 I C 0.924 177.010 176.117 -0.052 0.000 1.097 176 I CA 0.955 62.186 61.300 -0.115 0.000 1.363 176 I CB -0.059 37.873 38.000 -0.113 0.000 1.051 176 I HN 0.535 nan 8.210 nan 0.000 0.413 177 D N 0.863 121.252 120.400 -0.018 0.000 2.351 177 D HA -0.001 4.517 4.640 -0.203 0.000 0.251 177 D C 0.736 177.075 176.300 0.065 0.000 1.137 177 D CA 0.243 54.255 54.000 0.020 0.000 0.879 177 D CB 1.045 41.859 40.800 0.024 0.000 1.181 177 D HN 0.142 nan 8.370 nan 0.000 0.448 178 T N -0.018 114.591 114.554 0.092 0.000 3.134 178 T HA 0.060 4.289 4.350 -0.203 0.000 0.260 178 T C 1.647 176.465 174.700 0.196 0.000 1.027 178 T CA 0.157 62.352 62.100 0.158 0.000 0.913 178 T CB 0.107 69.080 68.868 0.176 0.000 1.046 178 T HN 0.228 nan 8.240 nan 0.000 0.553 179 S N 1.088 116.880 115.700 0.154 0.000 2.365 179 S HA -0.247 4.101 4.470 -0.203 0.000 0.221 179 S C 1.691 176.402 174.600 0.185 0.000 1.037 179 S CA 1.317 59.606 58.200 0.147 0.000 1.060 179 S CB -0.675 62.599 63.200 0.124 0.000 0.974 179 S HN 0.615 nan 8.310 nan 0.000 0.427 180 Y N 0.745 121.094 120.300 0.081 0.000 2.293 180 Y HA -0.017 4.413 4.550 -0.201 0.000 0.291 180 Y C 1.962 177.914 175.900 0.086 0.000 1.137 180 Y CA 1.559 59.702 58.100 0.072 0.000 1.202 180 Y CB -0.724 37.774 38.460 0.064 0.000 0.990 180 Y HN 0.454 nan 8.280 nan 0.000 0.537 181 F N 1.036 121.008 119.950 0.037 0.000 2.069 181 F HA -0.223 4.182 4.527 -0.204 0.000 0.298 181 F C 2.139 177.854 175.800 -0.141 0.000 1.113 181 F CA 2.346 60.268 58.000 -0.130 0.000 1.214 181 F CB -0.578 38.232 39.000 -0.317 0.000 0.978 181 F HN 0.068 nan 8.300 nan 0.000 0.474 182 E N 0.481 120.674 120.200 -0.012 0.000 2.049 182 E HA -0.279 3.949 4.350 -0.203 0.000 0.198 182 E C 2.118 178.627 176.600 -0.152 0.000 1.007 182 E CA 2.055 58.415 56.400 -0.067 0.000 0.809 182 E CB -0.247 29.498 29.700 0.075 0.000 0.749 182 E HN 0.438 nan 8.360 nan 0.000 0.450 183 K N 0.592 120.910 120.400 -0.136 0.000 2.127 183 K HA -0.262 3.937 4.320 -0.203 0.000 0.208 183 K C 2.255 178.715 176.600 -0.233 0.000 1.047 183 K CA 1.454 57.637 56.287 -0.173 0.000 0.927 183 K CB -0.218 32.157 32.500 -0.209 0.000 0.716 183 K HN 0.264 nan 8.250 nan 0.000 0.450 184 Q N 0.148 119.754 119.800 -0.323 0.000 2.016 184 Q HA -0.099 4.120 4.340 -0.203 0.000 0.200 184 Q C 2.371 178.312 176.000 -0.099 0.000 0.978 184 Q CA 1.291 56.951 55.803 -0.240 0.000 0.833 184 Q CB -0.215 28.431 28.738 -0.154 0.000 0.895 184 Q HN 0.380 nan 8.270 nan 0.000 0.427 185 A N 1.142 123.902 122.820 -0.099 0.000 1.917 185 A HA -0.184 4.014 4.320 -0.203 0.000 0.219 185 A C 2.266 179.873 177.584 0.039 0.000 1.182 185 A CA 1.887 53.924 52.037 0.001 0.000 0.633 185 A CB -1.338 17.583 19.000 -0.130 0.000 0.819 185 A HN 0.511 nan 8.150 nan 0.000 0.448 186 G N -0.536 108.251 108.800 -0.022 0.000 2.491 186 G HA2 -0.282 3.556 3.960 -0.203 0.000 0.218 186 G HA3 -0.282 3.556 3.960 -0.203 0.000 0.218 186 G C 1.747 176.652 174.900 0.007 0.000 1.180 186 G CA 1.019 46.117 45.100 -0.004 0.000 0.774 186 G HN 0.594 nan 8.290 nan 0.000 0.562 187 R N -1.040 119.453 120.500 -0.011 0.000 2.120 187 R HA -0.016 4.203 4.340 -0.203 0.000 0.234 187 R C 2.288 178.612 176.300 0.039 0.000 1.123 187 R CA 1.109 57.206 56.100 -0.005 0.000 0.975 187 R CB -0.407 29.874 30.300 -0.032 0.000 0.866 187 R HN 0.424 nan 8.270 nan 0.000 0.446 188 F N 1.762 121.657 119.950 -0.091 0.000 2.163 188 F HA -0.060 4.346 4.527 -0.201 0.000 0.297 188 F C 1.972 177.752 175.800 -0.033 0.000 1.094 188 F CA 1.310 59.264 58.000 -0.077 0.000 1.290 188 F CB 0.084 39.020 39.000 -0.106 0.000 1.017 188 F HN -0.213 nan 8.300 nan 0.000 0.483 189 K N -0.006 120.447 120.400 0.088 0.000 2.032 189 K HA -0.140 4.059 4.320 -0.203 0.000 0.209 189 K C 2.095 178.658 176.600 -0.062 0.000 1.048 189 K CA 1.375 57.670 56.287 0.013 0.000 0.927 189 K CB -0.611 31.919 32.500 0.051 0.000 0.712 189 K HN 0.278 nan 8.250 nan 0.000 0.441 190 A N 0.701 123.495 122.820 -0.044 0.000 2.216 190 A HA -0.026 4.173 4.320 -0.203 0.000 0.214 190 A C 1.810 179.347 177.584 -0.079 0.000 1.160 190 A CA 0.913 52.921 52.037 -0.048 0.000 0.725 190 A CB 0.027 19.009 19.000 -0.031 0.000 0.784 190 A HN 0.099 nan 8.150 nan 0.000 0.472 191 V N -1.234 118.599 119.914 -0.134 0.000 3.612 191 V HA 0.100 4.098 4.120 -0.203 0.000 0.268 191 V C 1.941 177.906 176.094 -0.213 0.000 1.365 191 V CA 0.219 62.423 62.300 -0.161 0.000 1.044 191 V CB -0.044 31.681 31.823 -0.163 0.000 0.820 191 V HN 0.511 nan 8.190 nan 0.000 0.444 192 L N 0.770 121.826 121.223 -0.279 0.000 2.217 192 L HA 0.013 4.231 4.340 -0.203 0.000 0.211 192 L C 2.546 179.356 176.870 -0.101 0.000 1.107 192 L CA 1.388 56.100 54.840 -0.213 0.000 0.783 192 L CB -0.473 41.436 42.059 -0.250 0.000 0.919 192 L HN 0.397 nan 8.230 nan 0.000 0.442 193 A N -0.927 121.842 122.820 -0.085 0.000 2.216 193 A HA -0.082 4.117 4.320 -0.203 0.000 0.214 193 A C 2.172 179.731 177.584 -0.041 0.000 1.160 193 A CA 1.215 53.224 52.037 -0.047 0.000 0.725 193 A CB -0.282 18.696 19.000 -0.037 0.000 0.784 193 A HN 0.259 nan 8.150 nan 0.000 0.472 194 V N -0.530 119.351 119.914 -0.054 0.000 2.922 194 V HA 0.239 4.237 4.120 -0.203 0.000 0.242 194 V C 0.885 176.956 176.094 -0.038 0.000 1.094 194 V CA 0.149 62.420 62.300 -0.048 0.000 1.106 194 V CB -0.215 31.570 31.823 -0.062 0.000 0.799 194 V HN 0.454 nan 8.190 nan 0.000 0.474 195 L N 0.946 122.148 121.223 -0.035 0.000 2.483 195 L HA 0.143 4.362 4.340 -0.203 0.000 0.275 195 L C 1.651 178.535 176.870 0.023 0.000 1.220 195 L CA 0.194 55.034 54.840 -0.001 0.000 0.833 195 L CB 0.030 42.123 42.059 0.058 0.000 1.102 195 L HN 0.211 nan 8.230 nan 0.000 0.490 196 E N 0.644 120.869 120.200 0.042 0.000 2.216 196 E HA 0.106 4.335 4.350 -0.203 0.000 0.192 196 E C -0.105 176.535 176.600 0.066 0.000 0.973 196 E CA 0.716 57.141 56.400 0.041 0.000 0.851 196 E CB 0.566 30.283 29.700 0.029 0.000 0.804 196 E HN 0.573 nan 8.360 nan 0.000 0.477 197 E N 0.027 120.302 120.200 0.125 0.000 2.293 197 E HA 0.409 4.638 4.350 -0.203 0.000 0.270 197 E C -0.793 175.903 176.600 0.159 0.000 0.879 197 E CA -0.494 55.980 56.400 0.123 0.000 0.756 197 E CB 2.299 32.077 29.700 0.130 0.000 1.208 197 E HN -0.054 nan 8.360 nan 0.000 0.428 198 L N 3.829 125.057 121.223 0.007 0.000 2.325 198 L HA 0.481 4.699 4.340 -0.203 0.000 0.279 198 L C -1.746 174.900 176.870 -0.374 0.000 1.054 198 L CA -1.730 53.026 54.840 -0.140 0.000 0.804 198 L CB 0.514 42.522 42.059 -0.084 0.000 1.200 198 L HN 0.374 nan 8.230 nan 0.000 0.436 199 P HA 0.120 nan 4.420 nan 0.000 0.293 199 P C 0.239 177.242 177.300 -0.496 0.000 1.298 199 P CA -0.540 62.038 63.100 -0.869 0.000 0.757 199 P CB 0.927 31.670 31.700 -1.595 0.000 1.262 200 R N -0.975 119.233 120.500 -0.487 0.000 2.075 200 R HA -0.058 4.160 4.340 -0.203 0.000 0.232 200 R C 0.192 176.196 176.300 -0.494 0.000 1.126 200 R CA 1.121 56.922 56.100 -0.499 0.000 0.963 200 R CB -0.271 29.635 30.300 -0.657 0.000 0.858 200 R HN 0.495 nan 8.270 nan 0.000 0.435 201 Y N 0.072 120.205 120.300 -0.279 0.000 2.328 201 Y HA 0.351 4.780 4.550 -0.202 0.000 0.337 201 Y C -0.762 175.088 175.900 -0.083 0.000 0.966 201 Y CA -1.179 56.774 58.100 -0.245 0.000 1.136 201 Y CB 2.193 40.419 38.460 -0.391 0.000 1.170 201 Y HN -0.267 nan 8.280 nan 0.000 0.470 202 V N 4.465 124.505 119.914 0.210 0.000 2.327 202 V HA 0.210 4.209 4.120 -0.203 0.000 0.272 202 V C -0.676 175.614 176.094 0.326 0.000 1.019 202 V CA -0.786 61.691 62.300 0.296 0.000 0.814 202 V CB -0.084 31.854 31.823 0.192 0.000 1.040 202 V HN 0.811 nan 8.190 nan 0.000 0.440 203 H N 1.721 120.845 119.070 0.089 0.000 2.529 203 H HA 0.810 5.244 4.556 -0.203 0.000 0.348 203 H C 0.235 175.562 175.328 -0.002 0.000 1.152 203 H CA -0.856 55.196 56.048 0.008 0.000 1.202 203 H CB 2.478 32.157 29.762 -0.138 0.000 1.562 203 H HN 0.222 nan 8.280 nan 0.000 0.515 204 V N -1.464 118.449 119.914 -0.002 0.000 3.363 204 V HA 0.265 4.263 4.120 -0.203 0.000 0.270 204 V C -0.153 176.017 176.094 0.126 0.000 1.667 204 V CA -0.139 62.056 62.300 -0.176 0.000 1.034 204 V CB 0.361 31.912 31.823 -0.454 0.000 0.857 204 V HN 0.574 nan 8.190 nan 0.000 0.410 205 S N 3.328 119.161 115.700 0.222 0.000 2.525 205 S HA 0.560 4.908 4.470 -0.203 0.000 0.278 205 S C 0.006 174.789 174.600 0.305 0.000 1.234 205 S CA -0.103 58.281 58.200 0.306 0.000 1.058 205 S CB 0.845 64.185 63.200 0.233 0.000 0.983 205 S HN 0.907 nan 8.310 nan 0.000 0.495 206 N N 0.598 119.513 118.700 0.359 0.000 2.879 206 N HA 0.378 4.997 4.740 -0.203 0.000 0.329 206 N C 0.743 176.442 175.510 0.314 0.000 1.337 206 N CA -0.892 52.376 53.050 0.364 0.000 0.844 206 N CB 0.376 39.135 38.487 0.453 0.000 1.236 206 N HN 0.296 nan 8.380 nan 0.000 0.601 207 S N -0.108 115.752 115.700 0.268 0.000 2.351 207 S HA -0.201 4.147 4.470 -0.203 0.000 0.220 207 S C 2.090 176.724 174.600 0.056 0.000 1.035 207 S CA 1.534 59.831 58.200 0.162 0.000 1.031 207 S CB -0.945 62.238 63.200 -0.028 0.000 0.928 207 S HN 0.647 nan 8.310 nan 0.000 0.433 208 A N 1.506 124.401 122.820 0.125 0.000 1.873 208 A HA -0.221 3.977 4.320 -0.203 0.000 0.218 208 A C 2.486 180.144 177.584 0.123 0.000 1.193 208 A CA 2.785 54.915 52.037 0.155 0.000 0.629 208 A CB -1.779 17.462 19.000 0.403 0.000 0.826 208 A HN 0.689 nan 8.150 nan 0.000 0.447 209 T N -2.009 112.659 114.554 0.191 0.000 2.708 209 T HA -0.011 4.218 4.350 -0.203 0.000 0.266 209 T C 1.969 176.728 174.700 0.100 0.000 1.037 209 T CA 2.136 64.344 62.100 0.180 0.000 1.146 209 T CB -0.818 68.211 68.868 0.269 0.000 0.865 209 T HN 0.772 nan 8.240 nan 0.000 0.435 210 A N 1.454 124.323 122.820 0.082 0.000 1.940 210 A HA 0.102 4.301 4.320 -0.203 0.000 0.219 210 A C 2.493 180.007 177.584 -0.116 0.000 1.176 210 A CA 1.640 53.687 52.037 0.017 0.000 0.631 210 A CB -0.860 18.177 19.000 0.062 0.000 0.814 210 A HN 0.593 nan 8.150 nan 0.000 0.446 211 L N -2.666 118.361 121.223 -0.326 0.000 2.102 211 L HA -0.045 4.174 4.340 -0.203 0.000 0.202 211 L C 1.962 178.372 176.870 -0.766 0.000 1.076 211 L CA 0.614 55.020 54.840 -0.723 0.000 0.761 211 L CB -0.242 40.936 42.059 -1.468 0.000 0.921 211 L HN 0.609 nan 8.230 nan 0.000 0.444 212 W N -1.566 119.687 121.300 -0.078 0.000 3.005 212 W HA 0.249 4.786 4.660 -0.205 0.000 0.374 212 W C 0.223 176.374 176.519 -0.614 0.000 1.076 212 W CA -0.211 56.958 57.345 -0.293 0.000 1.794 212 W CB -0.295 28.965 29.460 -0.334 0.000 1.113 212 W HN 0.270 nan 8.180 nan 0.000 0.584 213 H N 0.101 119.135 119.070 -0.060 0.000 2.947 213 H HA 0.127 4.561 4.556 -0.203 0.000 0.222 213 H C -1.761 173.562 175.328 -0.008 0.000 1.414 213 H CA -0.756 55.225 56.048 -0.111 0.000 1.224 213 H CB 0.375 29.905 29.762 -0.386 0.000 2.100 213 H HN -0.238 nan 8.280 nan 0.000 0.524 214 P HA -0.049 nan 4.420 nan 0.000 0.242 214 P C 0.132 177.482 177.300 0.083 0.000 1.197 214 P CA 0.735 63.871 63.100 0.061 0.000 0.765 214 P CB 0.570 32.277 31.700 0.011 0.000 0.936 215 D N -0.248 120.217 120.400 0.108 0.000 2.348 215 D HA -0.007 4.511 4.640 -0.203 0.000 0.211 215 D C 0.834 177.220 176.300 0.143 0.000 0.998 215 D CA 0.044 54.110 54.000 0.110 0.000 0.873 215 D CB 0.382 41.246 40.800 0.106 0.000 0.925 215 D HN 0.068 nan 8.370 nan 0.000 0.524 216 V N 2.920 122.949 119.914 0.191 0.000 2.644 216 V HA -0.006 3.992 4.120 -0.203 0.000 0.305 216 V C -2.153 174.053 176.094 0.186 0.000 1.053 216 V CA -0.942 61.491 62.300 0.222 0.000 1.186 216 V CB 0.624 32.628 31.823 0.302 0.000 0.895 216 V HN -0.086 nan 8.190 nan 0.000 0.490 217 P HA 0.460 nan 4.420 nan 0.000 0.264 217 P C -0.036 177.381 177.300 0.195 0.000 1.229 217 P CA 0.707 63.912 63.100 0.176 0.000 0.780 217 P CB 0.231 32.045 31.700 0.191 0.000 0.808 218 G N 2.475 111.370 108.800 0.158 0.000 2.338 218 G HA2 0.244 4.082 3.960 -0.203 0.000 0.295 218 G HA3 0.244 4.082 3.960 -0.203 0.000 0.295 218 G C -0.909 174.059 174.900 0.113 0.000 1.461 218 G CA -0.799 44.395 45.100 0.157 0.000 0.817 218 G HN 0.572 nan 8.290 nan 0.000 0.556 219 N N -1.262 117.502 118.700 0.106 0.000 2.377 219 N HA 0.428 5.047 4.740 -0.203 0.000 0.259 219 N C 0.106 175.651 175.510 0.059 0.000 1.332 219 N CA -0.443 52.652 53.050 0.075 0.000 0.877 219 N CB 0.971 39.498 38.487 0.066 0.000 1.299 219 N HN 0.531 nan 8.380 nan 0.000 0.501 220 M N 2.018 121.641 119.600 0.037 0.000 2.389 220 M HA 0.308 4.666 4.480 -0.203 0.000 0.291 220 M C -2.227 174.053 176.300 -0.034 0.000 1.128 220 M CA -0.469 54.791 55.300 -0.068 0.000 0.942 220 M CB 2.382 34.809 32.600 -0.289 0.000 1.783 220 M HN 0.242 nan 8.290 nan 0.000 0.501 221 I N 1.212 121.757 120.570 -0.041 0.000 2.509 221 I HA 0.600 4.648 4.170 -0.203 0.000 0.293 221 I C -0.714 175.441 176.117 0.063 0.000 1.020 221 I CA -0.894 60.429 61.300 0.038 0.000 1.088 221 I CB 2.042 40.066 38.000 0.039 0.000 1.267 221 I HN 0.712 nan 8.210 nan 0.000 0.430 222 R N 5.261 125.845 120.500 0.140 0.000 2.593 222 R HA 0.262 4.481 4.340 -0.203 0.000 0.282 222 R C -1.156 175.308 176.300 0.274 0.000 1.300 222 R CA -0.431 55.779 56.100 0.183 0.000 1.221 222 R CB 0.250 30.649 30.300 0.167 0.000 1.157 222 R HN 0.645 nan 8.270 nan 0.000 0.555 223 Y N 1.678 122.020 120.300 0.070 0.000 2.531 223 Y HA 0.065 4.495 4.550 -0.200 0.000 0.347 223 Y C 1.100 177.007 175.900 0.012 0.000 1.024 223 Y CA -0.402 57.715 58.100 0.029 0.000 1.306 223 Y CB 0.747 39.192 38.460 -0.025 0.000 1.149 223 Y HN 0.620 nan 8.280 nan 0.000 0.527 224 G N 2.588 111.352 108.800 -0.061 0.000 3.223 224 G HA2 0.008 3.846 3.960 -0.203 0.000 0.198 224 G HA3 0.008 3.846 3.960 -0.203 0.000 0.198 224 G C 1.194 175.791 174.900 -0.505 0.000 1.980 224 G CA 0.239 45.262 45.100 -0.128 0.000 0.828 224 G HN 0.574 nan 8.290 nan 0.000 0.680 225 V N 0.236 119.861 119.914 -0.483 0.000 2.313 225 V HA -0.213 3.785 4.120 -0.203 0.000 0.253 225 V C 3.115 178.938 176.094 -0.452 0.000 1.070 225 V CA 2.596 64.575 62.300 -0.535 0.000 1.057 225 V CB -1.716 29.772 31.823 -0.559 0.000 0.653 225 V HN 0.628 nan 8.190 nan 0.000 0.450 226 A N 0.360 122.843 122.820 -0.562 0.000 1.958 226 A HA -0.269 3.929 4.320 -0.203 0.000 0.221 226 A C 2.277 179.524 177.584 -0.562 0.000 1.178 226 A CA 2.799 54.491 52.037 -0.574 0.000 0.642 226 A CB -0.684 17.857 19.000 -0.766 0.000 0.816 226 A HN 0.616 nan 8.150 nan 0.000 0.453 227 M N -1.917 117.205 119.600 -0.796 0.000 2.143 227 M HA -0.227 4.131 4.480 -0.203 0.000 0.258 227 M C 1.481 177.395 176.300 -0.644 0.000 1.071 227 M CA 1.663 56.567 55.300 -0.660 0.000 1.088 227 M CB -0.598 31.492 32.600 -0.850 0.000 1.360 227 M HN 0.586 nan 8.290 nan 0.000 0.404 228 Y N 0.005 120.057 120.300 -0.415 0.000 2.502 228 Y HA 0.248 4.679 4.550 -0.198 0.000 0.295 228 Y C 1.638 177.415 175.900 -0.205 0.000 1.193 228 Y CA 0.426 58.303 58.100 -0.370 0.000 1.295 228 Y CB -0.799 37.291 38.460 -0.618 0.000 1.059 228 Y HN 0.466 nan 8.280 nan 0.000 0.514 229 G N 0.679 109.409 108.800 -0.116 0.000 2.176 229 G HA2 -0.281 3.558 3.960 -0.203 0.000 0.252 229 G HA3 -0.281 3.558 3.960 -0.203 0.000 0.252 229 G C -0.314 174.538 174.900 -0.080 0.000 1.024 229 G CA 0.012 45.074 45.100 -0.063 0.000 0.755 229 G HN 0.320 nan 8.290 nan 0.000 0.507 230 L N -0.051 121.069 121.223 -0.171 0.000 2.329 230 L HA 0.442 4.660 4.340 -0.203 0.000 0.279 230 L C 0.343 177.124 176.870 -0.148 0.000 1.014 230 L CA -1.278 53.405 54.840 -0.263 0.000 0.814 230 L CB 1.582 43.238 42.059 -0.672 0.000 1.257 230 L HN 0.108 nan 8.230 nan 0.000 0.424 231 N N 5.088 123.838 118.700 0.084 0.000 2.416 231 N HA 0.074 4.692 4.740 -0.203 0.000 0.265 231 N C -1.639 174.130 175.510 0.431 0.000 1.195 231 N CA -1.530 51.665 53.050 0.242 0.000 0.943 231 N CB 1.154 39.801 38.487 0.267 0.000 1.115 231 N HN 0.355 nan 8.380 nan 0.000 0.481 232 P HA -0.066 nan 4.420 nan 0.000 0.236 232 P C 0.268 177.868 177.300 0.499 0.000 1.172 232 P CA 0.785 64.178 63.100 0.487 0.000 0.759 232 P CB 0.119 32.032 31.700 0.355 0.000 0.843 233 S N -3.177 112.772 115.700 0.416 0.000 2.603 233 S HA 0.436 4.785 4.470 -0.203 0.000 0.232 233 S C 1.544 176.193 174.600 0.081 0.000 1.016 233 S CA 0.401 58.712 58.200 0.184 0.000 0.976 233 S CB -0.240 62.942 63.200 -0.031 0.000 0.921 233 S HN 0.282 nan 8.310 nan 0.000 0.516 234 G N 3.016 111.889 108.800 0.122 0.000 5.452 234 G HA2 -0.407 3.431 3.960 -0.203 0.000 0.310 234 G HA3 -0.407 3.431 3.960 -0.203 0.000 0.310 234 G C 0.659 175.591 174.900 0.054 0.000 1.392 234 G CA 0.773 45.874 45.100 0.001 0.000 0.942 234 G HN 0.584 nan 8.290 nan 0.000 0.776 235 N N -0.245 118.460 118.700 0.009 0.000 2.011 235 N HA 0.225 4.843 4.740 -0.203 0.000 0.228 235 N C 1.523 177.006 175.510 -0.045 0.000 1.378 235 N CA 0.756 53.807 53.050 0.001 0.000 0.852 235 N CB 0.429 38.916 38.487 -0.001 0.000 1.111 235 N HN 0.525 nan 8.380 nan 0.000 0.497 236 K N -0.026 120.324 120.400 -0.083 0.000 2.002 236 K HA 0.031 4.230 4.320 -0.203 0.000 0.209 236 K C 0.081 176.549 176.600 -0.220 0.000 1.048 236 K CA 0.952 57.152 56.287 -0.144 0.000 0.930 236 K CB 0.177 32.574 32.500 -0.171 0.000 0.714 236 K HN 0.080 nan 8.250 nan 0.000 0.438 237 L N -0.208 120.816 121.223 -0.331 0.000 2.341 237 L HA 0.462 4.680 4.340 -0.203 0.000 0.267 237 L C -0.760 176.008 176.870 -0.170 0.000 1.009 237 L CA -1.227 53.336 54.840 -0.462 0.000 0.819 237 L CB 1.889 43.230 42.059 -1.196 0.000 1.323 237 L HN 0.003 nan 8.230 nan 0.000 0.425 238 A N 2.363 125.153 122.820 -0.050 0.000 2.276 238 A HA 0.666 4.865 4.320 -0.203 0.000 0.300 238 A C -2.371 175.435 177.584 0.370 0.000 1.235 238 A CA -1.358 50.756 52.037 0.129 0.000 0.867 238 A CB -0.157 18.885 19.000 0.069 0.000 1.137 238 A HN 0.399 nan 8.150 nan 0.000 0.527 239 P HA 0.036 nan 4.420 nan 0.000 0.269 239 P C 0.858 178.218 177.300 0.100 0.000 1.211 239 P CA 0.146 63.361 63.100 0.192 0.000 0.781 239 P CB 0.572 32.219 31.700 -0.087 0.000 0.877 240 S N -0.163 115.508 115.700 -0.048 0.000 2.453 240 S HA -0.015 4.333 4.470 -0.203 0.000 0.231 240 S C 0.361 175.030 174.600 0.115 0.000 1.005 240 S CA 1.012 59.237 58.200 0.043 0.000 0.949 240 S CB -0.655 62.552 63.200 0.013 0.000 0.774 240 S HN 0.623 nan 8.310 nan 0.000 0.510 241 Y N -1.674 118.635 120.300 0.016 0.000 2.625 241 Y HA 0.771 5.201 4.550 -0.201 0.000 0.338 241 Y C -0.774 175.144 175.900 0.030 0.000 1.123 241 Y CA -2.270 55.840 58.100 0.017 0.000 1.046 241 Y CB 0.538 38.997 38.460 -0.001 0.000 1.299 241 Y HN -0.138 nan 8.280 nan 0.000 0.464 242 A N 3.474 126.415 122.820 0.201 0.000 2.444 242 A HA 0.477 4.676 4.320 -0.203 0.000 0.273 242 A C -0.534 177.116 177.584 0.110 0.000 1.136 242 A CA -0.379 51.717 52.037 0.098 0.000 0.799 242 A CB -0.804 18.264 19.000 0.113 0.000 1.081 242 A HN 0.710 nan 8.150 nan 0.000 0.509 243 L N 2.444 123.639 121.223 -0.046 0.000 2.350 243 L HA 0.362 4.580 4.340 -0.203 0.000 0.275 243 L C 0.758 177.651 176.870 0.039 0.000 1.099 243 L CA -0.233 54.597 54.840 -0.017 0.000 0.808 243 L CB 1.023 43.013 42.059 -0.114 0.000 1.149 243 L HN 0.701 nan 8.230 nan 0.000 0.442 244 K N 4.284 124.720 120.400 0.059 0.000 2.389 244 K HA 0.381 4.580 4.320 -0.203 0.000 0.261 244 K C -2.469 174.159 176.600 0.047 0.000 1.014 244 K CA -1.829 54.491 56.287 0.054 0.000 0.920 244 K CB 1.327 33.864 32.500 0.062 0.000 1.149 244 K HN 0.163 nan 8.250 nan 0.000 0.444 245 P HA -0.135 nan 4.420 nan 0.000 0.264 245 P C -0.672 176.685 177.300 0.094 0.000 1.173 245 P CA 0.449 63.592 63.100 0.072 0.000 0.761 245 P CB 0.852 32.597 31.700 0.075 0.000 0.794 246 A N 3.459 126.369 122.820 0.149 0.000 2.545 246 A HA 0.227 4.425 4.320 -0.203 0.000 0.263 246 A C -0.210 177.510 177.584 0.226 0.000 1.202 246 A CA 0.117 52.263 52.037 0.181 0.000 0.959 246 A CB 0.050 19.167 19.000 0.196 0.000 1.124 246 A HN 0.472 nan 8.150 nan 0.000 0.543 247 L N 0.716 122.052 121.223 0.188 0.000 2.362 247 L HA 0.687 4.905 4.340 -0.203 0.000 0.275 247 L C -1.139 175.754 176.870 0.039 0.000 0.998 247 L CA -0.247 54.635 54.840 0.070 0.000 0.820 247 L CB 1.466 43.516 42.059 -0.015 0.000 1.270 247 L HN 0.326 nan 8.230 nan 0.000 0.415 248 R N 4.407 124.902 120.500 -0.008 0.000 2.574 248 R HA 0.598 4.816 4.340 -0.203 0.000 0.288 248 R C -1.542 174.720 176.300 -0.064 0.000 1.004 248 R CA -0.853 55.244 56.100 -0.005 0.000 0.895 248 R CB 2.721 33.029 30.300 0.012 0.000 1.191 248 R HN 0.452 nan 8.270 nan 0.000 0.444 249 L N 1.630 122.785 121.223 -0.113 0.000 2.313 249 L HA 0.612 4.831 4.340 -0.203 0.000 0.283 249 L C -0.676 176.093 176.870 -0.169 0.000 1.013 249 L CA 0.194 54.895 54.840 -0.232 0.000 0.816 249 L CB 1.993 43.807 42.059 -0.409 0.000 1.236 249 L HN 0.677 nan 8.230 nan 0.000 0.419 250 T N 2.688 117.157 114.554 -0.143 0.000 2.883 250 T HA 0.822 5.050 4.350 -0.203 0.000 0.296 250 T C -0.974 173.638 174.700 -0.147 0.000 1.117 250 T CA 0.073 62.104 62.100 -0.114 0.000 1.006 250 T CB 1.549 70.405 68.868 -0.019 0.000 1.191 250 T HN 0.826 nan 8.240 nan 0.000 0.508 251 S N 0.551 116.171 115.700 -0.134 0.000 3.070 251 S HA 0.701 5.050 4.470 -0.203 0.000 0.320 251 S C -1.997 172.553 174.600 -0.084 0.000 1.215 251 S CA -0.473 57.650 58.200 -0.128 0.000 0.956 251 S CB 1.286 64.376 63.200 -0.184 0.000 1.337 251 S HN 0.974 nan 8.310 nan 0.000 0.639 252 E N 0.851 121.008 120.200 -0.072 0.000 2.354 252 E HA 0.340 4.569 4.350 -0.203 0.000 0.283 252 E C -1.584 174.998 176.600 -0.030 0.000 0.938 252 E CA -0.573 55.800 56.400 -0.045 0.000 0.777 252 E CB 0.843 30.524 29.700 -0.032 0.000 1.222 252 E HN 0.623 nan 8.360 nan 0.000 0.423 253 L N 5.349 126.560 121.223 -0.019 0.000 2.615 253 L HA 0.048 4.266 4.340 -0.203 0.000 0.271 253 L C 1.035 177.920 176.870 0.025 0.000 1.183 253 L CA 0.190 55.032 54.840 0.004 0.000 0.933 253 L CB -0.212 41.849 42.059 0.004 0.000 1.199 253 L HN 0.611 nan 8.230 nan 0.000 0.487 254 I N -0.789 119.808 120.570 0.045 0.000 3.928 254 I HA 0.266 4.315 4.170 -0.203 0.000 0.335 254 I C 0.394 176.590 176.117 0.132 0.000 1.325 254 I CA 0.202 61.535 61.300 0.055 0.000 1.107 254 I CB -0.259 37.755 38.000 0.023 0.000 1.014 254 I HN 0.537 nan 8.210 nan 0.000 0.400 255 H N -0.435 118.643 119.070 0.013 0.000 3.121 255 H HA 0.681 5.115 4.556 -0.203 0.000 0.337 255 H C -1.987 173.373 175.328 0.052 0.000 1.198 255 H CA -0.804 55.261 56.048 0.030 0.000 1.274 255 H CB 2.195 31.971 29.762 0.025 0.000 1.954 255 H HN -0.111 nan 8.280 nan 0.000 0.531 256 V N 4.532 124.419 119.914 -0.045 0.000 2.808 256 V HA 0.390 4.388 4.120 -0.203 0.000 0.308 256 V C -0.909 175.152 176.094 -0.056 0.000 1.099 256 V CA -0.713 61.569 62.300 -0.029 0.000 0.920 256 V CB 2.082 33.950 31.823 0.076 0.000 1.014 256 V HN 0.804 nan 8.190 nan 0.000 0.425 257 K N 3.009 123.426 120.400 0.029 0.000 2.571 257 K HA 0.779 4.977 4.320 -0.203 0.000 0.289 257 K C -1.240 175.282 176.600 -0.130 0.000 1.028 257 K CA -1.214 55.060 56.287 -0.021 0.000 0.895 257 K CB 2.607 34.980 32.500 -0.212 0.000 1.534 257 K HN 0.472 nan 8.250 nan 0.000 0.421 258 R N 1.358 121.566 120.500 -0.487 0.000 2.494 258 R HA 0.475 4.693 4.340 -0.203 0.000 0.305 258 R C -1.285 174.772 176.300 -0.405 0.000 0.959 258 R CA -0.672 54.953 56.100 -0.792 0.000 0.864 258 R CB 1.090 30.521 30.300 -1.448 0.000 1.159 258 R HN 0.648 nan 8.270 nan 0.000 0.446 259 L N 3.482 124.532 121.223 -0.288 0.000 2.325 259 L HA 0.591 4.810 4.340 -0.203 0.000 0.278 259 L C 0.446 177.225 176.870 -0.152 0.000 1.023 259 L CA -0.895 53.845 54.840 -0.167 0.000 0.811 259 L CB 1.855 43.862 42.059 -0.086 0.000 1.249 259 L HN 0.781 nan 8.230 nan 0.000 0.431 260 A N 2.195 124.943 122.820 -0.119 0.000 2.310 260 A HA 0.659 4.857 4.320 -0.203 0.000 0.260 260 A C 0.356 177.893 177.584 -0.077 0.000 1.112 260 A CA 0.082 52.060 52.037 -0.098 0.000 0.804 260 A CB 0.308 19.261 19.000 -0.078 0.000 1.081 260 A HN 0.803 nan 8.150 nan 0.000 0.499 261 A N -1.102 121.677 122.820 -0.067 0.000 2.366 261 A HA 0.502 4.700 4.320 -0.203 0.000 0.249 261 A C 1.458 179.004 177.584 -0.063 0.000 1.084 261 A CA 0.493 52.493 52.037 -0.063 0.000 0.794 261 A CB -0.823 18.145 19.000 -0.053 0.000 1.034 261 A HN 2.740 nan 8.150 nan 0.000 0.491 262 G N -0.181 108.574 108.800 -0.075 0.000 2.283 262 G HA2 -0.159 3.680 3.960 -0.203 0.000 0.280 262 G HA3 -0.159 3.680 3.960 -0.203 0.000 0.280 262 G C -0.093 174.768 174.900 -0.064 0.000 1.029 262 G CA 0.902 45.958 45.100 -0.073 0.000 0.840 262 G HN 1.075 nan 8.290 nan 0.000 0.505 263 E N -0.251 119.909 120.200 -0.067 0.000 2.183 263 E HA 0.647 4.876 4.350 -0.203 0.000 0.271 263 E C 0.679 177.256 176.600 -0.039 0.000 0.919 263 E CA 0.244 56.616 56.400 -0.046 0.000 0.781 263 E CB 1.099 30.774 29.700 -0.041 0.000 1.140 263 E HN 0.537 nan 8.360 nan 0.000 0.402 264 G N 3.268 112.058 108.800 -0.017 0.000 2.410 264 G HA2 0.622 4.461 3.960 -0.203 0.000 0.330 264 G HA3 0.622 4.461 3.960 -0.203 0.000 0.330 264 G C -0.711 174.219 174.900 0.050 0.000 1.142 264 G CA -0.620 44.487 45.100 0.012 0.000 0.902 264 G HN 0.645 nan 8.290 nan 0.000 0.491 265 I N -0.822 119.814 120.570 0.109 0.000 2.865 265 I HA 0.819 4.868 4.170 -0.203 0.000 0.302 265 I C 0.281 176.433 176.117 0.058 0.000 1.140 265 I CA -0.127 61.221 61.300 0.080 0.000 1.021 265 I CB 2.257 40.323 38.000 0.109 0.000 1.233 265 I HN 1.509 nan 8.210 nan 0.000 0.427 266 G N 2.891 111.674 108.800 -0.029 0.000 2.819 266 G HA2 -0.233 3.605 3.960 -0.203 0.000 0.682 266 G HA3 -0.233 3.605 3.960 -0.203 0.000 0.682 266 G C -0.999 173.864 174.900 -0.062 0.000 1.481 266 G CA -0.500 44.556 45.100 -0.073 0.000 0.904 266 G HN 0.865 nan 8.290 nan 0.000 0.563 267 Y N 0.760 121.098 120.300 0.063 0.000 2.702 267 Y HA 0.299 4.726 4.550 -0.205 0.000 0.336 267 Y C 2.019 177.947 175.900 0.047 0.000 1.235 267 Y CA 1.814 59.946 58.100 0.053 0.000 1.492 267 Y CB 0.788 39.282 38.460 0.057 0.000 1.308 267 Y HN 2.102 nan 8.280 nan 0.000 0.589 268 G N 1.476 110.408 108.800 0.220 0.000 2.184 268 G HA2 -0.404 3.434 3.960 -0.203 0.000 0.264 268 G HA3 -0.404 3.434 3.960 -0.203 0.000 0.264 268 G C 0.480 175.436 174.900 0.093 0.000 0.975 268 G CA 0.430 45.607 45.100 0.129 0.000 0.642 268 G HN 0.873 nan 8.290 nan 0.000 0.536 269 E N -0.188 120.066 120.200 0.091 0.000 2.228 269 E HA -0.299 3.930 4.350 -0.203 0.000 0.213 269 E C 1.413 178.059 176.600 0.077 0.000 1.282 269 E CA 1.385 57.827 56.400 0.070 0.000 0.707 269 E CB -1.388 28.338 29.700 0.043 0.000 1.150 269 E HN 1.207 nan 8.360 nan 0.000 0.362 270 T N -1.476 113.142 114.554 0.107 0.000 3.118 270 T HA -0.040 4.188 4.350 -0.203 0.000 0.260 270 T C 0.225 175.022 174.700 0.161 0.000 1.139 270 T CA 0.719 62.885 62.100 0.110 0.000 1.085 270 T CB -0.037 68.897 68.868 0.109 0.000 0.934 270 T HN 0.374 nan 8.240 nan 0.000 0.518 271 Y N 1.487 121.800 120.300 0.022 0.000 2.442 271 Y HA 0.545 4.974 4.550 -0.202 0.000 0.344 271 Y C -1.331 174.574 175.900 0.008 0.000 0.976 271 Y CA -1.775 56.335 58.100 0.018 0.000 1.040 271 Y CB 2.183 40.656 38.460 0.023 0.000 1.228 271 Y HN 0.143 nan 8.280 nan 0.000 0.451 272 V N 1.884 121.361 119.914 -0.729 0.000 2.686 272 V HA 0.534 4.532 4.120 -0.203 0.000 0.306 272 V C -0.289 175.390 176.094 -0.691 0.000 1.065 272 V CA -0.648 61.354 62.300 -0.498 0.000 0.894 272 V CB 0.952 32.628 31.823 -0.245 0.000 1.004 272 V HN 0.908 nan 8.190 nan 0.000 0.424 273 T N 0.303 114.629 114.554 -0.381 0.000 2.902 273 T HA 0.248 4.476 4.350 -0.203 0.000 0.301 273 T C 0.635 175.233 174.700 -0.169 0.000 1.012 273 T CA -0.086 61.884 62.100 -0.216 0.000 1.151 273 T CB 1.024 69.857 68.868 -0.057 0.000 0.946 273 T HN 0.812 nan 8.240 nan 0.000 0.542 274 E N 1.264 121.391 120.200 -0.121 0.000 2.385 274 E HA 0.255 4.484 4.350 -0.203 0.000 0.194 274 E C 0.931 177.502 176.600 -0.049 0.000 1.013 274 E CA 0.466 56.818 56.400 -0.080 0.000 0.866 274 E CB 0.318 29.982 29.700 -0.060 0.000 0.832 274 E HN 0.868 nan 8.360 nan 0.000 0.500 275 A N 0.681 123.478 122.820 -0.040 0.000 3.201 275 A HA 0.405 4.604 4.320 -0.203 0.000 0.303 275 A C -1.334 176.226 177.584 -0.040 0.000 1.173 275 A CA -0.620 51.400 52.037 -0.030 0.000 0.621 275 A CB 0.897 19.892 19.000 -0.010 0.000 1.468 275 A HN -0.007 nan 8.150 nan 0.000 0.632 276 E N 0.608 120.782 120.200 -0.043 0.000 2.133 276 E HA 0.505 4.733 4.350 -0.203 0.000 0.274 276 E C -0.855 175.696 176.600 -0.082 0.000 0.930 276 E CA -0.258 56.090 56.400 -0.086 0.000 0.770 276 E CB 0.642 30.277 29.700 -0.108 0.000 1.104 276 E HN 0.533 nan 8.360 nan 0.000 0.403 277 E N 3.122 123.258 120.200 -0.107 0.000 2.393 277 E HA 0.318 4.546 4.350 -0.203 0.000 0.273 277 E C -1.219 175.303 176.600 -0.130 0.000 0.918 277 E CA -1.083 55.291 56.400 -0.044 0.000 0.773 277 E CB 0.977 30.714 29.700 0.061 0.000 1.275 277 E HN 0.336 nan 8.360 nan 0.000 0.451 278 W N 1.626 122.927 121.300 0.002 0.000 2.331 278 W HA 0.334 4.872 4.660 -0.204 0.000 0.306 278 W C -0.493 176.014 176.519 -0.021 0.000 1.162 278 W CA -0.499 56.836 57.345 -0.017 0.000 1.232 278 W CB 0.786 30.234 29.460 -0.020 0.000 1.235 278 W HN 0.280 nan 8.180 nan 0.000 0.479 279 I N 3.884 124.540 120.570 0.144 0.000 2.354 279 I HA 0.461 4.509 4.170 -0.203 0.000 0.292 279 I C 0.686 176.834 176.117 0.052 0.000 0.989 279 I CA -0.610 60.733 61.300 0.071 0.000 1.188 279 I CB 0.740 38.749 38.000 0.015 0.000 1.342 279 I HN 0.503 nan 8.210 nan 0.000 0.457 280 G N 4.246 113.073 108.800 0.044 0.000 2.420 280 G HA2 0.633 4.472 3.960 -0.203 0.000 0.331 280 G HA3 0.633 4.472 3.960 -0.203 0.000 0.331 280 G C -0.733 174.184 174.900 0.028 0.000 1.168 280 G CA -0.247 44.871 45.100 0.030 0.000 0.936 280 G HN 0.487 nan 8.290 nan 0.000 0.479 281 T N 0.378 114.962 114.554 0.049 0.000 2.824 281 T HA 0.552 4.780 4.350 -0.203 0.000 0.280 281 T C -0.371 174.352 174.700 0.038 0.000 0.995 281 T CA -0.319 61.817 62.100 0.060 0.000 1.009 281 T CB 1.795 70.733 68.868 0.116 0.000 0.955 281 T HN 0.314 nan 8.240 nan 0.000 0.452 282 V N 5.277 125.200 119.914 0.014 0.000 2.531 282 V HA 0.379 4.377 4.120 -0.203 0.000 0.301 282 V C -2.116 173.956 176.094 -0.038 0.000 1.034 282 V CA -2.207 60.078 62.300 -0.024 0.000 0.865 282 V CB 2.067 33.856 31.823 -0.057 0.000 0.995 282 V HN 0.712 nan 8.190 nan 0.000 0.424 283 P HA 0.257 nan 4.420 nan 0.000 0.235 283 P C -0.561 176.688 177.300 -0.085 0.000 1.765 283 P CA 0.520 63.587 63.100 -0.054 0.000 1.034 283 P CB 0.267 31.939 31.700 -0.047 0.000 1.984 284 I N 0.364 120.884 120.570 -0.083 0.000 2.685 284 I HA 0.611 4.659 4.170 -0.203 0.000 0.289 284 I C -0.956 175.162 176.117 0.002 0.000 1.292 284 I CA -0.526 60.717 61.300 -0.094 0.000 1.050 284 I CB 1.963 39.819 38.000 -0.239 0.000 1.301 284 I HN 0.185 nan 8.210 nan 0.000 0.425 285 G N 4.230 113.051 108.800 0.036 0.000 3.176 285 G HA2 0.285 4.123 3.960 -0.203 0.000 0.272 285 G HA3 0.285 4.123 3.960 -0.203 0.000 0.272 285 G C -0.312 174.678 174.900 0.151 0.000 1.349 285 G CA -0.215 44.923 45.100 0.065 0.000 0.953 285 G HN 0.713 nan 8.290 nan 0.000 0.559 286 Y N -1.463 118.935 120.300 0.164 0.000 2.574 286 Y HA 0.317 4.757 4.550 -0.183 0.000 0.294 286 Y C 2.257 178.216 175.900 0.100 0.000 1.142 286 Y CA 0.811 58.987 58.100 0.127 0.000 1.314 286 Y CB -0.631 37.868 38.460 0.066 0.000 0.991 286 Y HN 0.316 nan 8.280 nan 0.000 0.555 287 A N 0.191 123.048 122.820 0.061 0.000 2.208 287 A HA -0.025 4.173 4.320 -0.203 0.000 0.209 287 A C 1.510 179.149 177.584 0.091 0.000 1.161 287 A CA 1.040 53.129 52.037 0.086 0.000 0.782 287 A CB -0.389 18.594 19.000 -0.029 0.000 0.816 287 A HN 0.495 nan 8.150 nan 0.000 0.477 288 D N -1.632 118.838 120.400 0.117 0.000 2.367 288 D HA 0.233 4.751 4.640 -0.203 0.000 0.207 288 D C 1.399 177.849 176.300 0.250 0.000 1.034 288 D CA 1.166 55.243 54.000 0.129 0.000 0.861 288 D CB 0.729 41.578 40.800 0.081 0.000 0.943 288 D HN 0.535 nan 8.370 nan 0.000 0.515 289 G N 0.494 109.462 108.800 0.281 0.000 2.284 289 G HA2 -0.196 3.642 3.960 -0.203 0.000 0.201 289 G HA3 -0.196 3.642 3.960 -0.203 0.000 0.201 289 G C -0.056 175.047 174.900 0.338 0.000 0.998 289 G CA -0.394 44.878 45.100 0.287 0.000 0.651 289 G HN 0.284 nan 8.290 nan 0.000 0.489 290 W N 4.150 125.564 121.300 0.188 0.000 2.351 290 W HA 0.557 5.121 4.660 -0.161 0.000 0.421 290 W C 0.192 176.799 176.519 0.146 0.000 1.000 290 W CA -0.363 57.074 57.345 0.154 0.000 1.610 290 W CB -0.317 29.218 29.460 0.125 0.000 1.700 290 W HN 0.089 nan 8.180 nan 0.000 0.351 291 L N 5.344 126.544 121.223 -0.038 0.000 2.439 291 L HA 0.125 4.343 4.340 -0.203 0.000 0.269 291 L C 1.866 178.686 176.870 -0.082 0.000 1.179 291 L CA -0.231 54.596 54.840 -0.023 0.000 0.828 291 L CB 0.423 42.443 42.059 -0.065 0.000 1.106 291 L HN 0.382 nan 8.230 nan 0.000 0.467 292 R N 0.249 120.720 120.500 -0.049 0.000 2.204 292 R HA -0.216 4.002 4.340 -0.203 0.000 0.253 292 R C 1.339 177.526 176.300 -0.187 0.000 1.172 292 R CA 1.595 57.630 56.100 -0.109 0.000 0.994 292 R CB -0.409 29.746 30.300 -0.243 0.000 0.874 292 R HN 0.588 nan 8.270 nan 0.000 0.462 293 H N -0.610 118.388 119.070 -0.119 0.000 2.547 293 H HA 0.099 4.599 4.556 -0.095 0.000 0.266 293 H C 1.309 176.549 175.328 -0.147 0.000 0.988 293 H CA 0.242 56.222 56.048 -0.114 0.000 1.147 293 H CB 0.265 29.956 29.762 -0.119 0.000 1.365 293 H HN 0.083 nan 8.280 nan 0.000 0.589 294 L N 0.305 121.440 121.223 -0.147 0.000 2.599 294 L HA -0.069 4.149 4.340 -0.203 0.000 0.230 294 L C 2.297 179.153 176.870 -0.023 0.000 1.141 294 L CA 0.292 54.976 54.840 -0.259 0.000 0.877 294 L CB -0.113 41.494 42.059 -0.754 0.000 1.009 294 L HN 0.396 nan 8.230 nan 0.000 0.447 295 Q N 0.780 120.584 119.800 0.007 0.000 2.028 295 Q HA -0.273 3.946 4.340 -0.203 0.000 0.213 295 Q C 2.130 178.184 176.000 0.091 0.000 1.017 295 Q CA 2.565 58.401 55.803 0.055 0.000 0.875 295 Q CB -0.417 28.338 28.738 0.029 0.000 0.962 295 Q HN 0.507 nan 8.270 nan 0.000 0.413 296 G N -0.169 108.690 108.800 0.098 0.000 2.450 296 G HA2 -0.255 3.584 3.960 -0.203 0.000 0.220 296 G HA3 -0.255 3.584 3.960 -0.203 0.000 0.220 296 G C 0.430 175.418 174.900 0.146 0.000 1.130 296 G CA 0.218 45.380 45.100 0.104 0.000 0.760 296 G HN 0.359 nan 8.290 nan 0.000 0.557 297 F N 2.475 122.433 119.950 0.013 0.000 2.669 297 F HA 0.235 4.651 4.527 -0.185 0.000 0.344 297 F C 1.097 176.944 175.800 0.079 0.000 1.161 297 F CA 0.647 58.670 58.000 0.039 0.000 1.377 297 F CB 0.640 39.650 39.000 0.016 0.000 1.047 297 F HN 0.073 nan 8.300 nan 0.000 0.627 298 T N 3.271 117.488 114.554 -0.561 0.000 2.812 298 T HA 0.650 4.878 4.350 -0.203 0.000 0.282 298 T C -0.491 174.046 174.700 -0.270 0.000 0.990 298 T CA -0.541 61.382 62.100 -0.295 0.000 0.960 298 T CB 0.839 69.555 68.868 -0.253 0.000 0.948 298 T HN 0.663 nan 8.240 nan 0.000 0.438 299 V N 1.487 121.408 119.914 0.011 0.000 3.193 299 V HA 0.794 4.792 4.120 -0.203 0.000 0.320 299 V C -0.407 175.694 176.094 0.011 0.000 1.112 299 V CA -1.480 60.870 62.300 0.084 0.000 1.026 299 V CB 0.996 32.906 31.823 0.145 0.000 1.128 299 V HN 0.943 nan 8.190 nan 0.000 0.452 300 L N 1.518 122.749 121.223 0.012 0.000 2.325 300 L HA 0.855 5.073 4.340 -0.203 0.000 0.278 300 L C -0.577 176.282 176.870 -0.019 0.000 1.023 300 L CA -0.825 54.010 54.840 -0.009 0.000 0.811 300 L CB 1.656 43.711 42.059 -0.007 0.000 1.249 300 L HN 0.591 nan 8.230 nan 0.000 0.431 301 V N 3.341 123.241 119.914 -0.024 0.000 2.653 301 V HA 0.353 4.352 4.120 -0.203 0.000 0.298 301 V C -0.433 175.640 176.094 -0.034 0.000 1.097 301 V CA -0.344 61.938 62.300 -0.031 0.000 0.908 301 V CB 1.525 33.331 31.823 -0.029 0.000 1.024 301 V HN 0.920 nan 8.190 nan 0.000 0.435 302 N N 4.662 123.340 118.700 -0.037 0.000 2.708 302 N HA -0.198 4.421 4.740 -0.203 0.000 0.249 302 N C 1.147 176.638 175.510 -0.031 0.000 1.097 302 N CA 2.075 55.103 53.050 -0.037 0.000 0.710 302 N CB -1.205 37.256 38.487 -0.044 0.000 1.032 302 N HN 1.975 nan 8.380 nan 0.000 0.551 303 G N -1.494 107.290 108.800 -0.027 0.000 2.205 303 G HA2 -0.364 3.475 3.960 -0.203 0.000 0.261 303 G HA3 -0.364 3.475 3.960 -0.203 0.000 0.261 303 G C 0.059 174.946 174.900 -0.021 0.000 0.980 303 G CA 0.972 46.058 45.100 -0.023 0.000 0.632 303 G HN 0.522 nan 8.290 nan 0.000 0.533 304 K N 0.641 121.027 120.400 -0.023 0.000 2.164 304 K HA 0.519 4.717 4.320 -0.203 0.000 0.258 304 K C 0.492 177.078 176.600 -0.024 0.000 0.951 304 K CA -0.858 55.416 56.287 -0.022 0.000 0.844 304 K CB 1.151 33.638 32.500 -0.021 0.000 1.099 304 K HN 0.213 nan 8.250 nan 0.000 0.435 305 R N 1.290 121.773 120.500 -0.028 0.000 2.389 305 R HA 0.221 4.439 4.340 -0.203 0.000 0.295 305 R C -0.631 175.652 176.300 -0.029 0.000 1.075 305 R CA -0.356 55.719 56.100 -0.041 0.000 1.005 305 R CB 0.292 30.555 30.300 -0.062 0.000 0.987 305 R HN 0.526 nan 8.270 nan 0.000 0.452 306 C N 2.245 121.530 119.300 -0.025 0.000 2.364 306 C HA 0.235 4.574 4.460 -0.203 0.000 0.324 306 C C 0.362 175.350 174.990 -0.004 0.000 1.234 306 C CA -0.913 58.101 59.018 -0.007 0.000 1.417 306 C CB 0.942 28.686 27.740 0.006 0.000 2.101 306 C HN 0.761 nan 8.230 nan 0.000 0.466 307 E N 2.049 122.242 120.200 -0.010 0.000 2.384 307 E HA 0.213 4.441 4.350 -0.203 0.000 0.266 307 E C -0.581 176.012 176.600 -0.012 0.000 1.012 307 E CA -0.076 56.316 56.400 -0.014 0.000 0.901 307 E CB 0.583 30.268 29.700 -0.025 0.000 0.967 307 E HN 0.613 nan 8.360 nan 0.000 0.435 308 I N 6.173 126.767 120.570 0.040 0.000 2.329 308 I HA 0.011 4.059 4.170 -0.203 0.000 0.295 308 I C 0.093 176.169 176.117 -0.070 0.000 1.109 308 I CA -0.428 60.904 61.300 0.052 0.000 1.297 308 I CB 0.176 38.288 38.000 0.187 0.000 1.433 308 I HN 0.258 nan 8.210 nan 0.000 0.509 309 V N 3.608 123.395 119.914 -0.212 0.000 2.716 309 V HA 0.945 4.943 4.120 -0.203 0.000 0.304 309 V C 0.655 176.576 176.094 -0.289 0.000 1.053 309 V CA -0.356 61.639 62.300 -0.510 0.000 0.984 309 V CB 0.829 31.958 31.823 -1.158 0.000 1.021 309 V HN 0.976 nan 8.190 nan 0.000 0.467 310 G N 2.198 110.879 108.800 -0.199 0.000 2.819 310 G HA2 -0.141 3.697 3.960 -0.203 0.000 0.682 310 G HA3 -0.141 3.697 3.960 -0.203 0.000 0.682 310 G C -0.374 174.552 174.900 0.043 0.000 1.481 310 G CA -0.205 44.909 45.100 0.023 0.000 0.904 310 G HN 1.244 nan 8.290 nan 0.000 0.563 311 R N -0.928 119.625 120.500 0.089 0.000 2.538 311 R HA 0.342 4.561 4.340 -0.203 0.000 0.282 311 R C 0.844 177.233 176.300 0.149 0.000 1.009 311 R CA 0.014 56.187 56.100 0.120 0.000 1.063 311 R CB 0.342 30.754 30.300 0.185 0.000 0.945 311 R HN 0.711 nan 8.270 nan 0.000 0.414 312 V N 5.231 125.245 119.914 0.168 0.000 2.521 312 V HA 0.022 4.021 4.120 -0.203 0.000 0.286 312 V C 0.594 176.879 176.094 0.319 0.000 1.034 312 V CA -0.409 62.027 62.300 0.225 0.000 1.045 312 V CB 0.514 32.482 31.823 0.243 0.000 0.974 312 V HN 0.807 nan 8.190 nan 0.000 0.480 313 C N 4.963 124.392 119.300 0.214 0.000 2.470 313 C HA 0.206 4.545 4.460 -0.203 0.000 0.350 313 C C 2.080 176.926 174.990 -0.240 0.000 1.341 313 C CA -0.391 58.722 59.018 0.160 0.000 2.440 313 C CB 0.814 28.615 27.740 0.101 0.000 2.295 313 C HN 1.033 nan 8.230 nan 0.000 0.645 314 M N 1.039 120.297 119.600 -0.570 0.000 2.108 314 M HA -0.137 4.221 4.480 -0.203 0.000 0.261 314 M C 0.719 176.740 176.300 -0.465 0.000 1.066 314 M CA 1.959 56.609 55.300 -1.083 0.000 1.107 314 M CB -0.139 32.117 32.600 -0.574 0.000 1.356 314 M HN 0.699 nan 8.290 nan 0.000 0.406 315 D N 0.204 120.476 120.400 -0.214 0.000 2.479 315 D HA 0.118 4.637 4.640 -0.203 0.000 0.218 315 D C -0.040 176.227 176.300 -0.056 0.000 1.177 315 D CA 0.125 54.060 54.000 -0.108 0.000 0.830 315 D CB 0.505 41.261 40.800 -0.073 0.000 1.014 315 D HN 0.533 nan 8.370 nan 0.000 0.503 316 Q N -0.270 119.511 119.800 -0.032 0.000 2.973 316 Q HA 0.382 4.600 4.340 -0.203 0.000 0.313 316 Q C -1.209 174.826 176.000 0.058 0.000 0.860 316 Q CA -0.804 55.003 55.803 0.008 0.000 0.780 316 Q CB 1.368 30.107 28.738 0.001 0.000 1.485 316 Q HN 0.167 nan 8.270 nan 0.000 0.453 317 C N -1.536 117.804 119.300 0.067 0.000 3.336 317 C HA 0.927 5.265 4.460 -0.203 0.000 0.339 317 C C -1.163 173.864 174.990 0.060 0.000 1.468 317 C CA -0.813 58.263 59.018 0.097 0.000 1.287 317 C CB 0.940 28.794 27.740 0.190 0.000 1.682 317 C HN 0.857 nan 8.230 nan 0.000 0.451 318 M N 2.052 121.681 119.600 0.049 0.000 2.395 318 M HA 0.735 5.093 4.480 -0.203 0.000 0.307 318 M C -0.498 175.806 176.300 0.007 0.000 1.091 318 M CA -0.586 54.726 55.300 0.020 0.000 0.919 318 M CB 1.625 34.224 32.600 -0.002 0.000 1.662 318 M HN 0.799 nan 8.290 nan 0.000 0.440 319 I N -0.830 119.747 120.570 0.012 0.000 2.509 319 I HA 0.673 4.722 4.170 -0.203 0.000 0.293 319 I C -0.486 175.636 176.117 0.009 0.000 1.020 319 I CA -0.985 60.320 61.300 0.008 0.000 1.088 319 I CB 1.934 39.953 38.000 0.032 0.000 1.267 319 I HN 0.698 nan 8.210 nan 0.000 0.430 320 R N 6.161 126.658 120.500 -0.005 0.000 2.316 320 R HA 0.507 4.726 4.340 -0.203 0.000 0.314 320 R C -1.303 175.031 176.300 0.057 0.000 1.069 320 R CA -0.413 55.708 56.100 0.035 0.000 0.959 320 R CB 0.654 30.971 30.300 0.029 0.000 0.987 320 R HN 0.765 nan 8.270 nan 0.000 0.446 321 L N 3.660 124.944 121.223 0.101 0.000 2.360 321 L HA 0.375 4.593 4.340 -0.203 0.000 0.271 321 L C 1.030 177.966 176.870 0.110 0.000 1.057 321 L CA -0.385 54.507 54.840 0.086 0.000 0.803 321 L CB 1.723 43.836 42.059 0.089 0.000 1.207 321 L HN 0.794 nan 8.230 nan 0.000 0.445 322 A N 1.489 124.341 122.820 0.054 0.000 1.901 322 A HA 0.100 4.299 4.320 -0.203 0.000 0.210 322 A C 0.768 178.378 177.584 0.043 0.000 1.208 322 A CA 0.428 52.502 52.037 0.061 0.000 0.644 322 A CB 0.078 19.095 19.000 0.027 0.000 0.863 322 A HN 0.755 nan 8.150 nan 0.000 0.454 323 E N 0.261 120.432 120.200 -0.048 0.000 2.212 323 E HA 0.361 4.589 4.350 -0.203 0.000 0.270 323 E C -0.899 175.468 176.600 -0.389 0.000 0.956 323 E CA -0.732 55.583 56.400 -0.143 0.000 0.825 323 E CB 1.081 30.710 29.700 -0.117 0.000 1.167 323 E HN 0.241 nan 8.360 nan 0.000 0.400 324 E N 2.255 122.088 120.200 -0.613 0.000 2.406 324 E HA 0.107 4.335 4.350 -0.203 0.000 0.258 324 E C -1.594 174.601 176.600 -0.675 0.000 1.043 324 E CA 0.120 55.821 56.400 -1.165 0.000 0.929 324 E CB 0.453 29.620 29.700 -0.888 0.000 0.969 324 E HN 0.143 nan 8.360 nan 0.000 0.462 325 V N 7.543 127.076 119.914 -0.635 0.000 2.876 325 V HA 0.534 4.533 4.120 -0.203 0.000 0.312 325 V C -2.061 173.885 176.094 -0.247 0.000 1.085 325 V CA -1.638 60.466 62.300 -0.327 0.000 0.945 325 V CB 2.126 33.825 31.823 -0.206 0.000 1.017 325 V HN 0.832 nan 8.190 nan 0.000 0.428 326 P HA 0.346 nan 4.420 nan 0.000 0.278 326 P C -0.642 176.635 177.300 -0.038 0.000 1.266 326 P CA -0.262 62.791 63.100 -0.079 0.000 0.807 326 P CB 1.203 32.865 31.700 -0.063 0.000 1.094 327 V N 0.302 120.217 119.914 0.001 0.000 2.740 327 V HA 0.386 4.385 4.120 -0.203 0.000 0.303 327 V C 1.683 177.779 176.094 0.002 0.000 1.054 327 V CA 1.646 63.959 62.300 0.021 0.000 1.106 327 V CB -0.230 31.624 31.823 0.052 0.000 0.957 327 V HN 1.116 nan 8.190 nan 0.000 0.486 328 G N 4.934 113.734 108.800 -0.000 0.000 2.481 328 G HA2 -0.108 3.730 3.960 -0.203 0.000 0.200 328 G HA3 -0.108 3.730 3.960 -0.203 0.000 0.200 328 G C -1.983 172.905 174.900 -0.019 0.000 1.012 328 G CA -0.384 44.711 45.100 -0.009 0.000 0.676 328 G HN 0.668 nan 8.290 nan 0.000 0.488 329 P HA 0.372 nan 4.420 nan 0.000 0.265 329 P C 0.466 177.745 177.300 -0.035 0.000 1.187 329 P CA 0.121 63.200 63.100 -0.035 0.000 0.766 329 P CB 1.209 32.883 31.700 -0.043 0.000 0.820 330 V N 4.734 124.625 119.914 -0.038 0.000 2.637 330 V HA 0.165 4.163 4.120 -0.203 0.000 0.296 330 V C -0.478 175.586 176.094 -0.049 0.000 1.046 330 V CA 0.006 62.279 62.300 -0.044 0.000 1.066 330 V CB 0.638 32.432 31.823 -0.048 0.000 0.968 330 V HN 0.171 nan 8.190 nan 0.000 0.483 331 V N 5.687 125.566 119.914 -0.059 0.000 2.409 331 V HA 0.398 4.397 4.120 -0.203 0.000 0.291 331 V C 0.270 176.315 176.094 -0.081 0.000 1.020 331 V CA -0.378 61.882 62.300 -0.066 0.000 0.848 331 V CB 1.606 33.383 31.823 -0.076 0.000 0.990 331 V HN 0.981 nan 8.190 nan 0.000 0.430 332 T N 6.202 120.721 114.554 -0.058 0.000 2.733 332 T HA 0.422 4.650 4.350 -0.203 0.000 0.294 332 T C 0.671 175.356 174.700 -0.024 0.000 0.956 332 T CA -0.153 61.916 62.100 -0.051 0.000 0.987 332 T CB 1.218 70.070 68.868 -0.027 0.000 0.920 332 T HN 0.366 nan 8.240 nan 0.000 0.470 333 L N 4.286 125.463 121.223 -0.076 0.000 2.316 333 L HA 0.312 4.530 4.340 -0.203 0.000 0.207 333 L C 0.395 177.388 176.870 0.204 0.000 1.070 333 L CA 0.749 55.575 54.840 -0.024 0.000 0.820 333 L CB 0.298 42.014 42.059 -0.572 0.000 0.992 333 L HN 0.389 nan 8.230 nan 0.000 0.466 334 V N -0.375 119.596 119.914 0.096 0.000 2.488 334 V HA 0.858 4.857 4.120 -0.203 0.000 0.293 334 V C 0.088 176.231 176.094 0.081 0.000 1.027 334 V CA -0.134 62.261 62.300 0.158 0.000 0.862 334 V CB 0.892 32.814 31.823 0.165 0.000 1.008 334 V HN 0.368 nan 8.190 nan 0.000 0.428 335 G N 4.713 113.569 108.800 0.094 0.000 2.325 335 G HA2 0.088 3.926 3.960 -0.203 0.000 0.285 335 G HA3 0.088 3.926 3.960 -0.203 0.000 0.285 335 G C -1.371 173.555 174.900 0.042 0.000 1.303 335 G CA -0.986 44.145 45.100 0.053 0.000 0.970 335 G HN 0.547 nan 8.290 nan 0.000 0.490 336 K N -0.148 120.263 120.400 0.018 0.000 2.095 336 K HA 0.627 4.825 4.320 -0.203 0.000 0.252 336 K C -1.298 175.298 176.600 -0.007 0.000 0.977 336 K CA -0.533 55.760 56.287 0.011 0.000 0.900 336 K CB 1.690 34.194 32.500 0.008 0.000 1.060 336 K HN 0.601 nan 8.250 nan 0.000 0.449 337 D N 0.201 120.597 120.400 -0.007 0.000 2.484 337 D HA 0.290 4.809 4.640 -0.203 0.000 0.206 337 D C 0.042 176.334 176.300 -0.014 0.000 1.322 337 D CA 0.759 54.750 54.000 -0.017 0.000 0.913 337 D CB 0.736 41.525 40.800 -0.019 0.000 1.559 337 D HN 0.648 nan 8.370 nan 0.000 0.565 338 G N 3.889 112.679 108.800 -0.016 0.000 2.547 338 G HA2 -0.349 3.490 3.960 -0.203 0.000 0.271 338 G HA3 -0.349 3.490 3.960 -0.203 0.000 0.271 338 G C 0.744 175.639 174.900 -0.008 0.000 1.209 338 G CA 0.273 45.365 45.100 -0.014 0.000 0.959 338 G HN 0.558 nan 8.290 nan 0.000 0.563 339 N N 1.781 120.477 118.700 -0.007 0.000 2.422 339 N HA 0.090 4.709 4.740 -0.203 0.000 0.181 339 N C 0.489 175.999 175.510 0.001 0.000 1.080 339 N CA 0.724 53.773 53.050 -0.002 0.000 0.893 339 N CB 0.133 38.618 38.487 -0.002 0.000 0.973 339 N HN 0.550 nan 8.380 nan 0.000 0.456 340 E N 1.040 121.238 120.200 -0.002 0.000 2.343 340 E HA 0.196 4.425 4.350 -0.203 0.000 0.269 340 E C -0.330 176.276 176.600 0.010 0.000 1.047 340 E CA 0.036 56.436 56.400 -0.001 0.000 0.874 340 E CB 1.665 31.359 29.700 -0.011 0.000 1.033 340 E HN 0.176 nan 8.360 nan 0.000 0.409 341 E N 1.784 121.996 120.200 0.021 0.000 2.292 341 E HA 0.268 4.497 4.350 -0.203 0.000 0.272 341 E C -1.256 175.388 176.600 0.072 0.000 0.881 341 E CA -0.646 55.779 56.400 0.043 0.000 0.754 341 E CB 1.054 30.782 29.700 0.046 0.000 1.201 341 E HN 0.130 nan 8.360 nan 0.000 0.425 342 N N 2.479 121.245 118.700 0.110 0.000 2.558 342 N HA 0.211 4.830 4.740 -0.203 0.000 0.242 342 N C -1.039 174.602 175.510 0.219 0.000 0.979 342 N CA -0.227 52.943 53.050 0.200 0.000 0.931 342 N CB 1.571 40.220 38.487 0.270 0.000 1.122 342 N HN 0.514 nan 8.380 nan 0.000 0.508 343 T N -1.086 113.595 114.554 0.212 0.000 2.874 343 T HA 0.332 4.560 4.350 -0.203 0.000 0.281 343 T C 1.750 176.584 174.700 0.224 0.000 0.994 343 T CA -0.696 61.519 62.100 0.191 0.000 1.015 343 T CB 0.837 69.800 68.868 0.157 0.000 1.028 343 T HN 0.239 nan 8.240 nan 0.000 0.523 344 L N 0.300 121.648 121.223 0.208 0.000 2.017 344 L HA -0.122 4.097 4.340 -0.203 0.000 0.208 344 L C 3.231 180.220 176.870 0.197 0.000 1.073 344 L CA 1.231 56.203 54.840 0.219 0.000 0.745 344 L CB -0.544 41.648 42.059 0.221 0.000 0.894 344 L HN 0.712 nan 8.230 nan 0.000 0.432 345 Q N -0.292 119.643 119.800 0.226 0.000 2.152 345 Q HA -0.253 3.965 4.340 -0.203 0.000 0.206 345 Q C 2.204 178.277 176.000 0.121 0.000 0.985 345 Q CA 1.932 57.838 55.803 0.171 0.000 0.863 345 Q CB -0.251 28.593 28.738 0.176 0.000 0.904 345 Q HN 0.539 nan 8.270 nan 0.000 0.422 346 M N -0.978 118.724 119.600 0.170 0.000 2.175 346 M HA -0.147 4.211 4.480 -0.203 0.000 0.264 346 M C 2.160 178.571 176.300 0.185 0.000 1.063 346 M CA 0.906 56.341 55.300 0.225 0.000 1.119 346 M CB -0.052 32.743 32.600 0.326 0.000 1.377 346 M HN -0.039 nan 8.290 nan 0.000 0.415 347 V N -0.008 119.934 119.914 0.045 0.000 2.453 347 V HA -0.170 3.828 4.120 -0.203 0.000 0.247 347 V C 2.564 178.523 176.094 -0.224 0.000 1.048 347 V CA 1.808 63.923 62.300 -0.308 0.000 1.049 347 V CB -1.123 30.560 31.823 -0.233 0.000 0.672 347 V HN 0.489 nan 8.190 nan 0.000 0.457 348 A N -0.091 122.680 122.820 -0.081 0.000 1.930 348 A HA -0.206 3.992 4.320 -0.203 0.000 0.217 348 A C 2.166 179.700 177.584 -0.083 0.000 1.175 348 A CA 1.695 53.683 52.037 -0.083 0.000 0.627 348 A CB -0.386 18.590 19.000 -0.040 0.000 0.815 348 A HN 0.621 nan 8.150 nan 0.000 0.443 349 E N -0.400 119.777 120.200 -0.039 0.000 2.077 349 E HA -0.171 4.057 4.350 -0.203 0.000 0.193 349 E C 1.949 178.530 176.600 -0.032 0.000 0.989 349 E CA 0.970 57.356 56.400 -0.024 0.000 0.800 349 E CB -0.132 29.580 29.700 0.020 0.000 0.746 349 E HN 0.319 nan 8.360 nan 0.000 0.452 350 K N 0.684 121.068 120.400 -0.025 0.000 2.209 350 K HA -0.110 4.089 4.320 -0.203 0.000 0.204 350 K C 1.681 178.217 176.600 -0.107 0.000 1.048 350 K CA 0.628 56.899 56.287 -0.026 0.000 0.940 350 K CB 0.019 32.520 32.500 0.001 0.000 0.729 350 K HN 0.088 nan 8.250 nan 0.000 0.451 351 L N 1.125 122.251 121.223 -0.160 0.000 2.558 351 L HA 0.073 4.291 4.340 -0.203 0.000 0.225 351 L C 0.172 176.945 176.870 -0.163 0.000 1.128 351 L CA 0.900 55.634 54.840 -0.178 0.000 0.868 351 L CB -0.403 41.533 42.059 -0.205 0.000 1.006 351 L HN 0.206 nan 8.230 nan 0.000 0.454 352 E N -0.257 119.866 120.200 -0.129 0.000 2.637 352 E HA -0.226 4.003 4.350 -0.203 0.000 0.265 352 E C 0.373 176.906 176.600 -0.111 0.000 1.073 352 E CA 0.685 57.015 56.400 -0.117 0.000 0.778 352 E CB -1.694 27.923 29.700 -0.139 0.000 1.362 352 E HN 0.640 nan 8.360 nan 0.000 0.413 353 T N -2.735 111.756 114.554 -0.105 0.000 2.573 353 T HA 0.792 5.021 4.350 -0.203 0.000 0.259 353 T C 0.447 175.095 174.700 -0.087 0.000 0.886 353 T CA -0.639 61.404 62.100 -0.094 0.000 1.110 353 T CB 1.367 70.180 68.868 -0.092 0.000 1.421 353 T HN 0.252 nan 8.240 nan 0.000 0.523 354 I N -0.660 119.871 120.570 -0.066 0.000 2.910 354 I HA 0.598 4.646 4.170 -0.203 0.000 0.310 354 I C 1.283 177.419 176.117 0.032 0.000 1.043 354 I CA -1.394 59.860 61.300 -0.077 0.000 1.053 354 I CB 1.511 39.489 38.000 -0.038 0.000 1.242 354 I HN 0.859 nan 8.210 nan 0.000 0.452 355 H N 1.217 120.380 119.070 0.156 0.000 2.489 355 H HA -0.099 4.336 4.556 -0.201 0.000 0.293 355 H C 1.272 176.672 175.328 0.120 0.000 1.066 355 H CA 1.360 57.466 56.048 0.097 0.000 1.305 355 H CB -1.275 28.534 29.762 0.077 0.000 1.386 355 H HN 0.668 nan 8.280 nan 0.000 0.551 356 Y N 1.163 121.687 120.300 0.373 0.000 2.114 356 Y HA -0.231 4.194 4.550 -0.207 0.000 0.282 356 Y C 2.833 178.759 175.900 0.044 0.000 1.165 356 Y CA 1.891 60.127 58.100 0.227 0.000 1.148 356 Y CB -0.381 38.190 38.460 0.184 0.000 0.972 356 Y HN 0.428 nan 8.280 nan 0.000 0.504 357 E N -0.090 120.215 120.200 0.177 0.000 2.072 357 E HA -0.144 4.084 4.350 -0.203 0.000 0.191 357 E C 2.167 178.700 176.600 -0.112 0.000 0.985 357 E CA 1.355 57.758 56.400 0.006 0.000 0.801 357 E CB -0.137 29.546 29.700 -0.028 0.000 0.750 357 E HN 0.206 nan 8.360 nan 0.000 0.452 358 V N 1.473 121.303 119.914 -0.140 0.000 2.233 358 V HA -0.311 3.687 4.120 -0.203 0.000 0.247 358 V C 2.510 178.206 176.094 -0.663 0.000 1.050 358 V CA 1.993 64.073 62.300 -0.365 0.000 1.010 358 V CB -1.019 30.654 31.823 -0.251 0.000 0.637 358 V HN 0.478 nan 8.190 nan 0.000 0.444 359 A N -1.023 121.598 122.820 -0.332 0.000 1.892 359 A HA -0.306 3.892 4.320 -0.203 0.000 0.218 359 A C 2.272 179.751 177.584 -0.175 0.000 1.188 359 A CA 2.474 54.386 52.037 -0.208 0.000 0.631 359 A CB -1.261 17.774 19.000 0.058 0.000 0.822 359 A HN 0.617 nan 8.150 nan 0.000 0.447 360 C N -1.095 118.132 119.300 -0.122 0.000 2.437 360 C HA 0.006 4.344 4.460 -0.203 0.000 0.283 360 C C 2.703 177.635 174.990 -0.097 0.000 1.424 360 C CA 1.362 60.334 59.018 -0.076 0.000 1.782 360 C CB -1.422 26.279 27.740 -0.066 0.000 1.833 360 C HN 0.646 nan 8.230 nan 0.000 0.532 361 T N -0.089 114.338 114.554 -0.213 0.000 3.067 361 T HA 0.113 4.341 4.350 -0.203 0.000 0.257 361 T C 0.450 175.116 174.700 -0.057 0.000 1.105 361 T CA 0.105 62.111 62.100 -0.157 0.000 1.104 361 T CB -0.235 68.513 68.868 -0.200 0.000 0.925 361 T HN 0.434 nan 8.240 nan 0.000 0.498 362 F N 2.826 122.786 119.950 0.016 0.000 2.557 362 F HA 0.139 4.553 4.527 -0.188 0.000 0.384 362 F C 1.294 177.087 175.800 -0.011 0.000 1.057 362 F CA -0.669 57.336 58.000 0.008 0.000 1.169 362 F CB 0.258 39.243 39.000 -0.025 0.000 1.070 362 F HN 0.014 nan 8.300 nan 0.000 0.554 363 S N 2.861 118.679 115.700 0.197 0.000 2.576 363 S HA -0.047 4.302 4.470 -0.203 0.000 0.272 363 S C 1.076 175.695 174.600 0.031 0.000 1.352 363 S CA -0.660 57.592 58.200 0.087 0.000 1.021 363 S CB 0.925 64.165 63.200 0.067 0.000 0.887 363 S HN 0.703 nan 8.310 nan 0.000 0.542 364 Q N 2.308 122.113 119.800 0.008 0.000 2.472 364 Q HA 0.084 4.303 4.340 -0.203 0.000 0.208 364 Q C 1.868 177.824 176.000 -0.073 0.000 0.958 364 Q CA 0.747 56.535 55.803 -0.025 0.000 0.932 364 Q CB -0.169 28.567 28.738 -0.004 0.000 1.007 364 Q HN 0.714 nan 8.270 nan 0.000 0.508 365 R N 0.788 121.252 120.500 -0.060 0.000 2.189 365 R HA 0.093 4.311 4.340 -0.203 0.000 0.223 365 R C -0.047 176.156 176.300 -0.161 0.000 1.092 365 R CA 0.398 56.444 56.100 -0.090 0.000 0.989 365 R CB 0.123 30.393 30.300 -0.050 0.000 0.876 365 R HN 0.306 nan 8.270 nan 0.000 0.457 366 I N 2.986 123.458 120.570 -0.164 0.000 2.301 366 I HA 0.237 4.285 4.170 -0.203 0.000 0.292 366 I C -2.169 173.745 176.117 -0.338 0.000 1.046 366 I CA -2.520 58.635 61.300 -0.242 0.000 1.282 366 I CB 1.456 39.324 38.000 -0.220 0.000 1.409 366 I HN -0.119 nan 8.210 nan 0.000 0.484 367 P HA 0.117 nan 4.420 nan 0.000 0.267 367 P C -0.728 176.265 177.300 -0.511 0.000 1.200 367 P CA -0.195 62.465 63.100 -0.733 0.000 0.772 367 P CB 0.546 31.472 31.700 -1.289 0.000 0.855 368 R N 1.886 122.159 120.500 -0.378 0.000 2.460 368 R HA 0.462 4.680 4.340 -0.203 0.000 0.303 368 R C 0.039 176.151 176.300 -0.313 0.000 0.968 368 R CA -0.303 55.597 56.100 -0.334 0.000 0.889 368 R CB 1.006 31.219 30.300 -0.144 0.000 1.123 368 R HN 0.461 nan 8.270 nan 0.000 0.455 369 E N 1.696 121.572 120.200 -0.540 0.000 2.312 369 E HA 0.389 4.617 4.350 -0.203 0.000 0.267 369 E C -1.103 175.130 176.600 -0.610 0.000 0.894 369 E CA -0.764 55.436 56.400 -0.333 0.000 0.773 369 E CB 2.114 31.681 29.700 -0.220 0.000 1.241 369 E HN 0.376 nan 8.360 nan 0.000 0.432 370 Y N 0.494 120.836 120.300 0.069 0.000 2.536 370 Y HA 0.519 4.948 4.550 -0.203 0.000 0.347 370 Y C 0.356 176.301 175.900 0.075 0.000 1.000 370 Y CA -0.746 57.399 58.100 0.074 0.000 1.051 370 Y CB 1.897 40.398 38.460 0.068 0.000 1.259 370 Y HN 0.415 nan 8.280 nan 0.000 0.468 371 N N 0.000 118.832 118.700 0.220 0.000 1.763 371 N HA 0.000 4.618 4.740 -0.203 0.000 0.220 371 N CA 0.000 53.135 53.050 0.142 0.000 0.885 371 N CB 0.000 38.548 38.487 0.102 0.000 1.341 371 N HN 0.000 nan 8.380 nan 0.000 0.667