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 1cqj_1_D DATA FIRST_RESID 1 DATA SEQUENCE SILIDKNTKV ICQGFTGSQG TFHSEQAIAY GTKMVGGVTP GKGGTTHLGL DATA SEQUENCE PVFNTVREAV AATGATASVI YVPAPFCKDS ILEAIDAGIK LIITITEGIP DATA SEQUENCE TLDMLTVKVK LDEAGVRMIG PNCPGVITPG ECKIGIQPGH IHKPGKVGIV DATA SEQUENCE SRSGTLTYEA VKQTTDYGFG QSTCVGIGGD PIPGSNFIDI LEMFEKDPQT DATA SEQUENCE EAIVMIGEIG GSAEEEAAAY IKEHVTKPVV GYIAGVTAPK GKRMGHAGAI DATA SEQUENCE IAGGKGTADE KFAALEAAGV KTVRSLADIG EALKTV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.652 174.600 0.087 0.000 1.055 1 S CA 0.000 58.270 58.200 0.117 0.000 1.107 1 S CB 0.000 63.248 63.200 0.081 0.000 0.593 2 I N 2.451 123.063 120.570 0.069 0.000 3.023 2 I HA 0.620 4.790 4.170 -0.000 0.000 0.312 2 I C 1.311 177.406 176.117 -0.037 0.000 1.056 2 I CA -1.267 60.019 61.300 -0.023 0.000 1.033 2 I CB 1.057 38.958 38.000 -0.166 0.000 1.233 2 I HN 0.757 nan 8.210 nan 0.000 0.462 3 L N 0.224 121.409 121.223 -0.063 0.000 3.459 3 L HA -0.317 4.023 4.340 -0.000 0.000 0.341 3 L C 0.389 177.242 176.870 -0.030 0.000 4.327 3 L CA 2.322 57.127 54.840 -0.057 0.000 0.827 3 L CB -1.447 40.567 42.059 -0.076 0.000 3.452 3 L HN 0.852 nan 8.230 nan 0.000 0.712 4 I N -2.810 117.752 120.570 -0.012 0.000 3.174 4 I HA 0.834 5.003 4.170 -0.000 0.000 0.313 4 I C -1.071 175.058 176.117 0.020 0.000 1.155 4 I CA -0.493 60.807 61.300 0.001 0.000 0.977 4 I CB 2.265 40.264 38.000 -0.000 0.000 1.248 4 I HN 0.265 nan 8.210 nan 0.000 0.453 5 D N 0.185 120.601 120.400 0.027 0.000 2.792 5 D HA 0.173 4.813 4.640 -0.000 0.000 0.335 5 D C -0.000 176.325 176.300 0.043 0.000 1.353 5 D CA -0.544 53.479 54.000 0.040 0.000 0.839 5 D CB 0.830 41.651 40.800 0.034 0.000 1.396 5 D HN 0.710 nan 8.370 nan 0.000 0.479 6 K N -0.583 119.844 120.400 0.045 0.000 2.286 6 K HA -0.155 4.165 4.320 -0.000 0.000 0.203 6 K C 0.749 177.368 176.600 0.032 0.000 1.045 6 K CA 1.342 57.654 56.287 0.042 0.000 0.935 6 K CB -0.465 32.054 32.500 0.033 0.000 0.737 6 K HN 0.242 nan 8.250 nan 0.000 0.460 7 N N 0.493 119.208 118.700 0.025 0.000 2.373 7 N HA -0.013 4.726 4.740 -0.000 0.000 0.181 7 N C -0.271 175.247 175.510 0.014 0.000 1.082 7 N CA 0.472 53.532 53.050 0.017 0.000 0.885 7 N CB 0.273 38.768 38.487 0.013 0.000 0.977 7 N HN 0.152 nan 8.380 nan 0.000 0.462 8 T N 2.563 117.126 114.554 0.015 0.000 2.793 8 T HA 0.061 4.411 4.350 -0.000 0.000 0.289 8 T C 0.359 175.065 174.700 0.009 0.000 0.956 8 T CA 0.394 62.499 62.100 0.008 0.000 1.177 8 T CB 0.327 69.199 68.868 0.008 0.000 0.897 8 T HN 0.017 nan 8.240 nan 0.000 0.533 9 K N 2.777 123.177 120.400 -0.000 0.000 2.227 9 K HA 0.556 4.875 4.320 -0.000 0.000 0.280 9 K C -0.686 175.907 176.600 -0.011 0.000 1.041 9 K CA -0.702 55.584 56.287 -0.002 0.000 0.905 9 K CB 1.349 33.845 32.500 -0.007 0.000 1.068 9 K HN 0.268 nan 8.250 nan 0.000 0.470 10 V N 4.698 124.607 119.914 -0.008 0.000 2.604 10 V HA 0.482 4.602 4.120 -0.000 0.000 0.305 10 V C -0.110 175.959 176.094 -0.040 0.000 1.043 10 V CA -1.000 61.291 62.300 -0.016 0.000 0.888 10 V CB 1.444 33.272 31.823 0.008 0.000 0.995 10 V HN 0.690 nan 8.190 nan 0.000 0.429 11 I N 1.175 121.712 120.570 -0.055 0.000 2.648 11 I HA 0.812 4.982 4.170 -0.000 0.000 0.304 11 I C -0.478 175.603 176.117 -0.059 0.000 1.009 11 I CA -0.481 60.761 61.300 -0.097 0.000 1.114 11 I CB 1.941 39.884 38.000 -0.095 0.000 1.293 11 I HN 0.671 nan 8.210 nan 0.000 0.449 12 C N 4.481 123.724 119.300 -0.095 0.000 2.369 12 C HA 0.460 4.919 4.460 -0.000 0.000 0.322 12 C C -0.214 174.858 174.990 0.137 0.000 1.258 12 C CA -0.170 58.897 59.018 0.082 0.000 1.487 12 C CB 1.105 29.005 27.740 0.266 0.000 2.165 12 C HN 0.907 nan 8.230 nan 0.000 0.483 13 Q N 3.198 123.082 119.800 0.140 0.000 2.296 13 Q HA 0.476 4.815 4.340 -0.000 0.000 0.257 13 Q C 0.964 177.093 176.000 0.216 0.000 0.942 13 Q CA 0.657 56.545 55.803 0.141 0.000 0.939 13 Q CB 1.478 30.259 28.738 0.072 0.000 1.198 13 Q HN 1.285 nan 8.270 nan 0.000 0.429 14 G N 2.173 111.106 108.800 0.223 0.000 2.131 14 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.223 14 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.223 14 G C 0.247 175.314 174.900 0.278 0.000 0.990 14 G CA 0.062 45.294 45.100 0.220 0.000 0.671 14 G HN 0.703 nan 8.290 nan 0.000 0.521 15 F N 2.556 122.583 119.950 0.128 0.000 2.115 15 F HA -0.147 4.379 4.527 -0.000 0.000 0.300 15 F C 2.657 178.459 175.800 0.004 0.000 1.092 15 F CA 2.966 61.043 58.000 0.128 0.000 1.245 15 F CB -0.420 38.665 39.000 0.142 0.000 0.995 15 F HN 0.424 nan 8.300 nan 0.000 0.481 16 T N -1.968 112.449 114.554 -0.228 0.000 3.169 16 T HA 0.368 4.717 4.350 -0.000 0.000 0.250 16 T C 1.064 175.595 174.700 -0.282 0.000 1.111 16 T CA 0.178 61.910 62.100 -0.613 0.000 1.010 16 T CB -0.898 67.654 68.868 -0.526 0.000 0.984 16 T HN 0.313 nan 8.240 nan 0.000 0.537 17 G N 0.516 109.255 108.800 -0.102 0.000 2.535 17 G HA2 0.452 4.412 3.960 -0.000 0.000 0.303 17 G HA3 0.452 4.412 3.960 -0.000 0.000 0.303 17 G C 0.797 175.687 174.900 -0.017 0.000 1.237 17 G CA -0.339 44.741 45.100 -0.033 0.000 0.986 17 G HN 0.172 nan 8.290 nan 0.000 0.494 18 S N -0.184 115.517 115.700 0.002 0.000 2.392 18 S HA -0.193 4.276 4.470 -0.000 0.000 0.225 18 S C 2.491 177.087 174.600 -0.006 0.000 1.041 18 S CA 1.540 59.743 58.200 0.005 0.000 1.100 18 S CB -0.332 62.870 63.200 0.002 0.000 1.029 18 S HN 0.583 nan 8.310 nan 0.000 0.424 19 Q N 0.605 120.393 119.800 -0.019 0.000 2.096 19 Q HA -0.048 4.291 4.340 -0.000 0.000 0.204 19 Q C 2.470 178.284 176.000 -0.310 0.000 0.982 19 Q CA 1.645 57.407 55.803 -0.068 0.000 0.850 19 Q CB -1.305 27.442 28.738 0.015 0.000 0.901 19 Q HN 0.625 nan 8.270 nan 0.000 0.422 20 G N 0.417 109.048 108.800 -0.282 0.000 2.459 20 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 20 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 20 G C 1.498 176.357 174.900 -0.070 0.000 1.183 20 G CA 1.612 46.570 45.100 -0.237 0.000 0.776 20 G HN 0.355 nan 8.290 nan 0.000 0.552 21 T N 0.901 115.443 114.554 -0.020 0.000 2.555 21 T HA -0.185 4.164 4.350 -0.000 0.000 0.264 21 T C 1.887 176.579 174.700 -0.014 0.000 1.083 21 T CA 1.427 63.535 62.100 0.014 0.000 1.179 21 T CB -0.472 68.438 68.868 0.069 0.000 0.863 21 T HN 0.187 nan 8.240 nan 0.000 0.412 22 F N 2.189 122.030 119.950 -0.181 0.000 2.015 22 F HA -0.282 4.244 4.527 -0.000 0.000 0.297 22 F C 2.539 178.148 175.800 -0.318 0.000 1.141 22 F CA 1.920 59.761 58.000 -0.265 0.000 1.192 22 F CB -0.704 38.090 39.000 -0.344 0.000 0.957 22 F HN 0.328 nan 8.300 nan 0.000 0.491 23 H N -0.700 118.534 119.070 0.275 0.000 2.557 23 H HA -0.062 4.494 4.556 -0.000 0.000 0.287 23 H C 2.312 177.694 175.328 0.090 0.000 1.043 23 H CA 1.112 57.255 56.048 0.159 0.000 1.226 23 H CB -0.287 29.502 29.762 0.044 0.000 1.361 23 H HN 0.304 nan 8.280 nan 0.000 0.592 24 S N -0.082 115.691 115.700 0.123 0.000 2.404 24 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 24 S C 1.948 176.601 174.600 0.088 0.000 1.040 24 S CA 0.167 58.483 58.200 0.194 0.000 0.957 24 S CB 0.373 63.779 63.200 0.344 0.000 0.826 24 S HN 0.515 nan 8.310 nan 0.000 0.491 25 E N 1.275 121.450 120.200 -0.043 0.000 2.085 25 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 25 E C 2.136 178.686 176.600 -0.082 0.000 0.994 25 E CA 0.914 57.251 56.400 -0.104 0.000 0.801 25 E CB -0.131 29.428 29.700 -0.236 0.000 0.743 25 E HN 0.417 nan 8.360 nan 0.000 0.453 26 Q N 0.047 119.778 119.800 -0.115 0.000 2.170 26 Q HA -0.107 4.232 4.340 -0.000 0.000 0.203 26 Q C 2.096 178.138 176.000 0.071 0.000 0.976 26 Q CA 1.342 57.123 55.803 -0.038 0.000 0.858 26 Q CB -0.210 28.521 28.738 -0.012 0.000 0.907 26 Q HN 0.262 nan 8.270 nan 0.000 0.433 27 A N 0.477 123.356 122.820 0.098 0.000 1.975 27 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 27 A C 2.127 179.797 177.584 0.143 0.000 1.170 27 A CA 0.286 52.399 52.037 0.127 0.000 0.656 27 A CB -0.361 18.722 19.000 0.138 0.000 0.821 27 A HN 0.227 nan 8.150 nan 0.000 0.449 28 I N -0.192 120.442 120.570 0.106 0.000 2.113 28 I HA -0.293 3.877 4.170 -0.000 0.000 0.238 28 I C 3.001 179.166 176.117 0.080 0.000 1.070 28 I CA 1.220 62.572 61.300 0.085 0.000 1.332 28 I CB -0.289 37.745 38.000 0.058 0.000 1.044 28 I HN 0.364 nan 8.210 nan 0.000 0.402 29 A N -0.308 122.549 122.820 0.063 0.000 1.948 29 A HA -0.321 3.999 4.320 -0.000 0.000 0.220 29 A C 2.212 179.860 177.584 0.107 0.000 1.177 29 A CA 1.703 53.774 52.037 0.056 0.000 0.636 29 A CB -1.158 17.860 19.000 0.030 0.000 0.815 29 A HN 0.603 nan 8.150 nan 0.000 0.449 30 Y N -0.120 120.190 120.300 0.017 0.000 2.571 30 Y HA 0.211 4.761 4.550 -0.000 0.000 0.294 30 Y C 1.608 177.522 175.900 0.023 0.000 1.141 30 Y CA 0.969 59.085 58.100 0.026 0.000 1.308 30 Y CB -0.081 38.398 38.460 0.031 0.000 1.002 30 Y HN 0.511 nan 8.280 nan 0.000 0.551 31 G N -0.131 108.749 108.800 0.133 0.000 2.144 31 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 31 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 31 G C 0.221 175.189 174.900 0.114 0.000 0.988 31 G CA 0.203 45.343 45.100 0.068 0.000 0.659 31 G HN 0.334 nan 8.290 nan 0.000 0.522 32 T N 1.110 115.768 114.554 0.173 0.000 2.930 32 T HA 0.342 4.692 4.350 -0.000 0.000 0.306 32 T C 0.775 175.527 174.700 0.087 0.000 1.045 32 T CA 0.240 62.420 62.100 0.134 0.000 1.134 32 T CB 0.998 69.943 68.868 0.128 0.000 0.961 32 T HN 0.286 nan 8.240 nan 0.000 0.545 33 K N 3.346 123.784 120.400 0.064 0.000 2.083 33 K HA 0.154 4.474 4.320 -0.000 0.000 0.246 33 K C -0.083 176.538 176.600 0.036 0.000 1.160 33 K CA -0.169 56.144 56.287 0.044 0.000 1.060 33 K CB 0.022 32.541 32.500 0.032 0.000 1.417 33 K HN 0.310 nan 8.250 nan 0.000 0.329 34 M N 3.163 122.789 119.600 0.043 0.000 2.193 34 M HA 0.006 4.485 4.480 -0.000 0.000 0.342 34 M C 1.148 177.451 176.300 0.004 0.000 1.413 34 M CA 0.036 55.351 55.300 0.024 0.000 1.191 34 M CB 0.836 33.473 32.600 0.062 0.000 1.633 34 M HN 0.313 nan 8.290 nan 0.000 0.458 35 V N 1.372 121.276 119.914 -0.016 0.000 3.608 35 V HA 0.590 4.710 4.120 -0.000 0.000 0.269 35 V C 0.676 176.775 176.094 0.009 0.000 1.245 35 V CA 0.897 63.200 62.300 0.005 0.000 1.138 35 V CB -0.308 31.520 31.823 0.009 0.000 0.841 35 V HN 0.910 nan 8.190 nan 0.000 0.451 36 G N -1.708 107.035 108.800 -0.094 0.000 2.356 36 G HA2 0.527 4.487 3.960 -0.000 0.000 0.300 36 G HA3 0.527 4.487 3.960 -0.000 0.000 0.300 36 G C -0.585 174.040 174.900 -0.458 0.000 1.331 36 G CA -0.114 44.886 45.100 -0.168 0.000 0.905 36 G HN 1.117 nan 8.290 nan 0.000 0.587 37 G N -1.872 106.644 108.800 -0.474 0.000 2.672 37 G HA2 0.778 4.738 3.960 -0.000 0.000 0.292 37 G HA3 0.778 4.738 3.960 -0.000 0.000 0.292 37 G C -1.441 173.543 174.900 0.140 0.000 1.375 37 G CA -0.215 44.656 45.100 -0.382 0.000 0.890 37 G HN 1.423 nan 8.290 nan 0.000 0.476 38 V N 0.147 120.159 119.914 0.164 0.000 2.448 38 V HA 0.762 4.882 4.120 -0.000 0.000 0.295 38 V C -0.249 175.942 176.094 0.161 0.000 1.025 38 V CA -0.577 61.832 62.300 0.183 0.000 0.859 38 V CB 1.627 33.520 31.823 0.116 0.000 0.988 38 V HN 0.761 nan 8.190 nan 0.000 0.431 39 T N 6.020 120.651 114.554 0.128 0.000 3.313 39 T HA 0.311 4.661 4.350 -0.000 0.000 0.333 39 T C -2.860 171.862 174.700 0.035 0.000 0.904 39 T CA -0.959 61.182 62.100 0.068 0.000 1.079 39 T CB 1.672 70.567 68.868 0.045 0.000 1.017 39 T HN 0.382 nan 8.240 nan 0.000 0.471 40 P HA 0.185 nan 4.420 nan 0.000 0.253 40 P C 1.034 178.325 177.300 -0.014 0.000 1.159 40 P CA 1.408 64.508 63.100 -0.000 0.000 0.779 40 P CB -0.042 31.643 31.700 -0.026 0.000 0.745 41 G N 3.033 111.832 108.800 -0.001 0.000 2.184 41 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.206 41 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.206 41 G C 0.604 175.498 174.900 -0.010 0.000 0.995 41 G CA -0.280 44.813 45.100 -0.010 0.000 0.651 41 G HN 0.520 nan 8.290 nan 0.000 0.511 42 K N 0.435 120.834 120.400 -0.002 0.000 2.536 42 K HA 0.366 4.686 4.320 -0.000 0.000 0.203 42 K C 1.214 177.812 176.600 -0.003 0.000 1.063 42 K CA 0.067 56.348 56.287 -0.009 0.000 1.063 42 K CB 1.278 33.765 32.500 -0.021 0.000 0.843 42 K HN 0.368 nan 8.250 nan 0.000 0.521 43 G N 0.056 108.860 108.800 0.008 0.000 2.491 43 G HA2 0.339 4.298 3.960 -0.000 0.000 0.242 43 G HA3 0.339 4.298 3.960 -0.000 0.000 0.242 43 G C 0.817 175.689 174.900 -0.045 0.000 1.266 43 G CA 0.541 45.639 45.100 -0.004 0.000 0.844 43 G HN 0.310 nan 8.290 nan 0.000 0.571 44 G N 0.010 108.741 108.800 -0.115 0.000 2.171 44 G HA2 0.119 4.079 3.960 -0.000 0.000 0.238 44 G HA3 0.119 4.079 3.960 -0.000 0.000 0.238 44 G C 0.331 175.184 174.900 -0.078 0.000 1.039 44 G CA 0.985 46.025 45.100 -0.100 0.000 0.759 44 G HN 2.059 nan 8.290 nan 0.000 0.501 45 T N -2.996 111.507 114.554 -0.084 0.000 2.841 45 T HA 0.843 5.193 4.350 -0.000 0.000 0.296 45 T C -0.237 174.452 174.700 -0.018 0.000 1.166 45 T CA 0.257 62.335 62.100 -0.037 0.000 1.007 45 T CB 2.355 71.215 68.868 -0.013 0.000 1.253 45 T HN 1.129 nan 8.240 nan 0.000 0.511 46 T N -0.288 114.283 114.554 0.028 0.000 2.912 46 T HA 0.746 5.096 4.350 -0.000 0.000 0.288 46 T C -1.148 173.645 174.700 0.154 0.000 1.030 46 T CA -0.712 61.436 62.100 0.079 0.000 1.020 46 T CB 1.458 70.351 68.868 0.041 0.000 1.056 46 T HN 1.137 nan 8.240 nan 0.000 0.480 47 H N 0.989 120.103 119.070 0.074 0.000 3.042 47 H HA 0.410 4.966 4.556 -0.000 0.000 0.345 47 H C 0.047 175.385 175.328 0.017 0.000 1.052 47 H CA -1.091 54.939 56.048 -0.029 0.000 1.311 47 H CB 0.534 30.201 29.762 -0.159 0.000 1.810 47 H HN 0.793 nan 8.280 nan 0.000 0.505 48 L N 4.498 125.469 121.223 -0.420 0.000 3.737 48 L HA -0.297 4.042 4.340 -0.000 0.000 0.418 48 L C 1.290 178.153 176.870 -0.012 0.000 1.216 48 L CA 0.978 55.669 54.840 -0.248 0.000 0.915 48 L CB -1.821 40.085 42.059 -0.254 0.000 1.834 48 L HN 1.166 nan 8.230 nan 0.000 0.943 49 G N -1.057 107.745 108.800 0.003 0.000 2.228 49 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.270 49 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.270 49 G C 0.352 175.298 174.900 0.077 0.000 0.976 49 G CA 0.920 46.041 45.100 0.035 0.000 0.636 49 G HN 0.394 nan 8.290 nan 0.000 0.542 50 L N 1.502 122.819 121.223 0.156 0.000 2.400 50 L HA 0.561 4.901 4.340 -0.000 0.000 0.264 50 L C -1.715 175.232 176.870 0.129 0.000 1.061 50 L CA -2.459 52.467 54.840 0.143 0.000 0.799 50 L CB 1.388 43.536 42.059 0.149 0.000 1.240 50 L HN -0.079 nan 8.230 nan 0.000 0.461 51 P HA 0.181 nan 4.420 nan 0.000 0.284 51 P C -1.100 176.093 177.300 -0.178 0.000 1.253 51 P CA -0.257 62.760 63.100 -0.138 0.000 0.800 51 P CB 1.797 33.345 31.700 -0.253 0.000 0.961 52 V N 4.133 123.908 119.914 -0.232 0.000 2.459 52 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 52 V C 0.009 175.918 176.094 -0.309 0.000 1.029 52 V CA -0.312 61.938 62.300 -0.083 0.000 0.874 52 V CB 0.702 32.586 31.823 0.102 0.000 0.985 52 V HN 0.388 nan 8.190 nan 0.000 0.438 53 F N 2.289 122.267 119.950 0.048 0.000 2.523 53 F HA 0.514 5.041 4.527 -0.000 0.000 0.329 53 F C 1.371 177.184 175.800 0.022 0.000 1.061 53 F CA -0.753 57.261 58.000 0.024 0.000 0.967 53 F CB 1.196 40.199 39.000 0.005 0.000 1.218 53 F HN 0.322 nan 8.300 nan 0.000 0.480 54 N N -0.499 118.329 118.700 0.213 0.000 2.333 54 N HA -0.039 4.701 4.740 -0.000 0.000 0.178 54 N C 0.392 175.960 175.510 0.098 0.000 1.018 54 N CA 0.975 54.094 53.050 0.115 0.000 0.882 54 N CB 0.131 38.665 38.487 0.077 0.000 0.984 54 N HN 0.726 nan 8.380 nan 0.000 0.434 55 T N -3.218 111.400 114.554 0.107 0.000 2.906 55 T HA 0.368 4.718 4.350 -0.000 0.000 0.295 55 T C 1.216 175.913 174.700 -0.005 0.000 1.075 55 T CA -0.752 61.372 62.100 0.041 0.000 1.005 55 T CB 1.610 70.489 68.868 0.018 0.000 1.136 55 T HN -0.251 nan 8.240 nan 0.000 0.498 56 V N 1.919 121.817 119.914 -0.028 0.000 2.490 56 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 56 V C 2.952 178.969 176.094 -0.128 0.000 1.061 56 V CA 1.780 64.036 62.300 -0.073 0.000 1.064 56 V CB -0.830 30.963 31.823 -0.049 0.000 0.670 56 V HN 0.876 nan 8.190 nan 0.000 0.461 57 R N -0.021 120.421 120.500 -0.096 0.000 2.062 57 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 57 R C 2.392 178.589 176.300 -0.172 0.000 1.136 57 R CA 1.801 57.835 56.100 -0.109 0.000 0.948 57 R CB -0.241 30.021 30.300 -0.063 0.000 0.845 57 R HN 0.637 nan 8.270 nan 0.000 0.430 58 E N 0.076 120.188 120.200 -0.146 0.000 2.147 58 E HA -0.258 4.091 4.350 -0.000 0.000 0.199 58 E C 1.911 178.127 176.600 -0.639 0.000 1.005 58 E CA 1.382 57.672 56.400 -0.184 0.000 0.810 58 E CB -0.202 29.528 29.700 0.050 0.000 0.736 58 E HN 0.399 nan 8.360 nan 0.000 0.460 59 A N 1.238 123.489 122.820 -0.948 0.000 1.873 59 A HA -0.127 4.192 4.320 -0.000 0.000 0.215 59 A C 2.577 179.739 177.584 -0.703 0.000 1.186 59 A CA 1.244 52.378 52.037 -1.506 0.000 0.616 59 A CB -0.743 17.766 19.000 -0.819 0.000 0.823 59 A HN 0.131 nan 8.150 nan 0.000 0.442 60 V N -0.061 119.619 119.914 -0.391 0.000 2.469 60 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 60 V C 2.921 178.901 176.094 -0.190 0.000 1.064 60 V CA 1.887 64.050 62.300 -0.228 0.000 1.066 60 V CB -1.238 30.494 31.823 -0.152 0.000 0.667 60 V HN 0.647 nan 8.190 nan 0.000 0.461 61 A N 0.271 122.968 122.820 -0.204 0.000 1.826 61 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 61 A C 2.416 179.938 177.584 -0.104 0.000 1.212 61 A CA 1.619 53.583 52.037 -0.121 0.000 0.605 61 A CB -1.151 17.795 19.000 -0.089 0.000 0.861 61 A HN 0.581 nan 8.150 nan 0.000 0.447 62 A N -1.092 121.656 122.820 -0.121 0.000 2.194 62 A HA -0.066 4.253 4.320 -0.000 0.000 0.220 62 A C 2.043 179.641 177.584 0.023 0.000 1.162 62 A CA 2.749 54.793 52.037 0.012 0.000 0.674 62 A CB -0.849 18.297 19.000 0.243 0.000 0.789 62 A HN 1.031 nan 8.150 nan 0.000 0.470 63 T N -7.239 107.278 114.554 -0.062 0.000 3.010 63 T HA 0.408 4.757 4.350 -0.000 0.000 0.253 63 T C 1.380 176.057 174.700 -0.038 0.000 0.939 63 T CA 1.105 63.193 62.100 -0.020 0.000 0.910 63 T CB -0.129 68.729 68.868 -0.017 0.000 1.226 63 T HN 1.815 nan 8.240 nan 0.000 0.508 64 G N 2.139 110.897 108.800 -0.070 0.000 2.176 64 G HA2 0.043 4.003 3.960 -0.000 0.000 0.252 64 G HA3 0.043 4.003 3.960 -0.000 0.000 0.252 64 G C 0.393 175.262 174.900 -0.052 0.000 1.024 64 G CA 0.212 45.278 45.100 -0.056 0.000 0.755 64 G HN 1.299 nan 8.290 nan 0.000 0.507 65 A N -0.699 122.082 122.820 -0.065 0.000 2.386 65 A HA 0.746 5.066 4.320 -0.000 0.000 0.246 65 A C 1.524 179.076 177.584 -0.054 0.000 1.089 65 A CA 1.448 53.453 52.037 -0.054 0.000 0.790 65 A CB 0.387 19.350 19.000 -0.063 0.000 1.042 65 A HN 1.664 nan 8.150 nan 0.000 0.497 66 T N -2.976 111.552 114.554 -0.043 0.000 3.016 66 T HA 0.576 4.926 4.350 -0.000 0.000 0.271 66 T C 0.176 174.850 174.700 -0.043 0.000 0.968 66 T CA 0.612 62.686 62.100 -0.043 0.000 0.891 66 T CB -0.117 68.730 68.868 -0.035 0.000 1.149 66 T HN 1.617 nan 8.240 nan 0.000 0.524 67 A N 0.685 123.481 122.820 -0.041 0.000 2.435 67 A HA 0.845 5.165 4.320 -0.000 0.000 0.304 67 A C -0.566 176.994 177.584 -0.041 0.000 1.064 67 A CA -0.736 51.277 52.037 -0.040 0.000 0.727 67 A CB 2.058 21.038 19.000 -0.032 0.000 1.284 67 A HN 0.248 nan 8.150 nan 0.000 0.415 68 S N 0.389 116.063 115.700 -0.044 0.000 2.538 68 S HA 0.607 5.077 4.470 -0.000 0.000 0.288 68 S C -1.443 173.127 174.600 -0.049 0.000 1.108 68 S CA -0.431 57.745 58.200 -0.040 0.000 0.971 68 S CB 1.474 64.649 63.200 -0.042 0.000 1.041 68 S HN 1.532 nan 8.310 nan 0.000 0.483 69 V N 6.767 126.659 119.914 -0.037 0.000 2.398 69 V HA 0.597 4.717 4.120 -0.000 0.000 0.286 69 V C -0.792 175.232 176.094 -0.117 0.000 1.026 69 V CA -0.693 61.553 62.300 -0.090 0.000 0.868 69 V CB 1.077 32.885 31.823 -0.025 0.000 0.982 69 V HN 0.867 nan 8.190 nan 0.000 0.443 70 I N 7.439 127.876 120.570 -0.222 0.000 2.321 70 I HA 0.356 4.525 4.170 -0.000 0.000 0.291 70 I C -1.036 174.882 176.117 -0.332 0.000 0.998 70 I CA -0.327 60.872 61.300 -0.168 0.000 1.227 70 I CB 1.207 39.148 38.000 -0.098 0.000 1.368 70 I HN 0.610 nan 8.210 nan 0.000 0.466 71 Y N 5.516 125.865 120.300 0.082 0.000 2.516 71 Y HA 0.385 4.935 4.550 -0.000 0.000 0.341 71 Y C -0.234 175.721 175.900 0.092 0.000 0.912 71 Y CA -0.431 57.722 58.100 0.087 0.000 1.167 71 Y CB 0.876 39.410 38.460 0.125 0.000 1.195 71 Y HN 0.210 nan 8.280 nan 0.000 0.610 72 V N 3.534 123.544 119.914 0.160 0.000 2.459 72 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 72 V C -2.050 174.141 176.094 0.161 0.000 1.029 72 V CA -2.443 59.961 62.300 0.174 0.000 0.874 72 V CB 1.949 33.868 31.823 0.160 0.000 0.985 72 V HN 0.179 nan 8.190 nan 0.000 0.438 73 P HA -0.020 nan 4.420 nan 0.000 0.264 73 P C 0.749 178.062 177.300 0.021 0.000 1.179 73 P CA 0.391 63.567 63.100 0.127 0.000 0.763 73 P CB 0.770 32.580 31.700 0.184 0.000 0.806 74 A N 5.704 128.496 122.820 -0.047 0.000 1.909 74 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 74 A C -0.328 177.134 177.584 -0.203 0.000 1.223 74 A CA 2.339 54.317 52.037 -0.097 0.000 0.658 74 A CB -2.663 16.284 19.000 -0.089 0.000 0.831 74 A HN 0.476 nan 8.150 nan 0.000 0.462 75 P HA -0.147 nan 4.420 nan 0.000 0.218 75 P C 0.502 177.381 177.300 -0.701 0.000 1.146 75 P CA 1.244 63.958 63.100 -0.644 0.000 0.820 75 P CB -0.151 30.965 31.700 -0.974 0.000 0.778 76 F N -4.124 115.828 119.950 0.003 0.000 2.682 76 F HA 0.252 4.779 4.527 -0.001 0.000 0.308 76 F C 2.020 177.820 175.800 -0.001 0.000 1.093 76 F CA -0.527 57.475 58.000 0.003 0.000 1.244 76 F CB -1.339 37.666 39.000 0.010 0.000 1.052 76 F HN -0.069 nan 8.300 nan 0.000 0.573 77 C N 1.038 120.383 119.300 0.074 0.000 2.429 77 C HA -0.180 4.280 4.460 -0.000 0.000 0.277 77 C C 3.026 178.033 174.990 0.028 0.000 1.262 77 C CA 1.560 60.608 59.018 0.050 0.000 1.733 77 C CB -0.716 27.025 27.740 0.003 0.000 2.010 77 C HN 0.597 nan 8.230 nan 0.000 0.483 78 K N 0.417 120.823 120.400 0.010 0.000 2.063 78 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 78 K C 1.642 178.254 176.600 0.019 0.000 1.048 78 K CA 2.351 58.639 56.287 0.002 0.000 0.928 78 K CB -0.432 32.062 32.500 -0.010 0.000 0.713 78 K HN 0.493 nan 8.250 nan 0.000 0.442 79 D N 0.242 120.672 120.400 0.049 0.000 2.084 79 D HA -0.154 4.486 4.640 -0.000 0.000 0.194 79 D C 1.939 178.265 176.300 0.042 0.000 0.990 79 D CA 2.046 56.078 54.000 0.054 0.000 0.826 79 D CB -0.107 40.750 40.800 0.095 0.000 0.971 79 D HN 0.351 nan 8.370 nan 0.000 0.453 80 S N -0.482 115.252 115.700 0.058 0.000 2.402 80 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 80 S C 2.311 176.919 174.600 0.013 0.000 1.021 80 S CA 0.637 58.860 58.200 0.039 0.000 0.974 80 S CB -0.645 62.590 63.200 0.057 0.000 0.800 80 S HN 0.377 nan 8.310 nan 0.000 0.484 81 I N 1.163 121.736 120.570 0.004 0.000 2.252 81 I HA -0.078 4.092 4.170 -0.000 0.000 0.245 81 I C 2.318 178.425 176.117 -0.017 0.000 1.102 81 I CA 1.067 62.357 61.300 -0.015 0.000 1.385 81 I CB -0.293 37.692 38.000 -0.025 0.000 1.064 81 I HN 0.280 nan 8.210 nan 0.000 0.414 82 L N 0.343 121.561 121.223 -0.010 0.000 2.217 82 L HA -0.177 4.162 4.340 -0.000 0.000 0.211 82 L C 2.539 179.402 176.870 -0.012 0.000 1.107 82 L CA 1.105 55.938 54.840 -0.012 0.000 0.783 82 L CB -0.452 41.603 42.059 -0.007 0.000 0.919 82 L HN 0.332 nan 8.230 nan 0.000 0.442 83 E N 0.621 120.817 120.200 -0.007 0.000 2.072 83 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 83 E C 2.222 178.810 176.600 -0.020 0.000 0.982 83 E CA 1.051 57.445 56.400 -0.010 0.000 0.803 83 E CB 0.073 29.771 29.700 -0.002 0.000 0.755 83 E HN 0.410 nan 8.360 nan 0.000 0.453 84 A N 1.583 124.390 122.820 -0.022 0.000 1.858 84 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 84 A C 2.211 179.774 177.584 -0.036 0.000 1.190 84 A CA 1.400 53.417 52.037 -0.032 0.000 0.617 84 A CB -0.743 18.237 19.000 -0.033 0.000 0.827 84 A HN 0.355 nan 8.150 nan 0.000 0.443 85 I N -0.263 120.287 120.570 -0.032 0.000 2.185 85 I HA -0.308 3.861 4.170 -0.000 0.000 0.246 85 I C 2.225 178.323 176.117 -0.032 0.000 1.088 85 I CA 2.050 63.330 61.300 -0.033 0.000 1.347 85 I CB -0.570 37.411 38.000 -0.031 0.000 1.041 85 I HN 0.314 nan 8.210 nan 0.000 0.415 86 D N 0.934 121.317 120.400 -0.028 0.000 2.117 86 D HA -0.093 4.546 4.640 -0.000 0.000 0.198 86 D C 1.968 178.249 176.300 -0.032 0.000 0.982 86 D CA 1.338 55.322 54.000 -0.026 0.000 0.828 86 D CB 0.010 40.797 40.800 -0.021 0.000 0.967 86 D HN 0.296 nan 8.370 nan 0.000 0.464 87 A N -0.841 121.956 122.820 -0.038 0.000 2.252 87 A HA 0.407 4.727 4.320 -0.000 0.000 0.207 87 A C 1.544 179.097 177.584 -0.052 0.000 1.194 87 A CA 0.989 52.997 52.037 -0.048 0.000 0.809 87 A CB -0.679 18.285 19.000 -0.061 0.000 0.814 87 A HN 0.362 nan 8.150 nan 0.000 0.482 88 G N -0.711 108.062 108.800 -0.044 0.000 2.149 88 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.235 88 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.235 88 G C -0.056 174.815 174.900 -0.047 0.000 1.018 88 G CA 0.031 45.105 45.100 -0.044 0.000 0.728 88 G HN 0.298 nan 8.290 nan 0.000 0.508 89 I N -0.045 120.495 120.570 -0.049 0.000 2.496 89 I HA 0.206 4.376 4.170 -0.000 0.000 0.285 89 I C 1.354 177.444 176.117 -0.046 0.000 1.080 89 I CA 0.311 61.581 61.300 -0.050 0.000 1.404 89 I CB 1.375 39.344 38.000 -0.052 0.000 1.403 89 I HN 0.188 nan 8.210 nan 0.000 0.539 90 K N 4.754 125.127 120.400 -0.045 0.000 2.352 90 K HA 0.188 4.508 4.320 -0.000 0.000 0.194 90 K C -0.257 176.314 176.600 -0.047 0.000 1.038 90 K CA 0.181 56.442 56.287 -0.043 0.000 1.023 90 K CB 0.335 32.811 32.500 -0.039 0.000 0.840 90 K HN 0.309 nan 8.250 nan 0.000 0.519 91 L N 1.208 122.402 121.223 -0.048 0.000 2.406 91 L HA 0.490 4.829 4.340 -0.000 0.000 0.272 91 L C -1.661 175.176 176.870 -0.055 0.000 0.980 91 L CA -0.680 54.128 54.840 -0.052 0.000 0.831 91 L CB 1.395 43.424 42.059 -0.049 0.000 1.253 91 L HN -0.031 nan 8.230 nan 0.000 0.406 92 I N 6.022 126.555 120.570 -0.062 0.000 2.406 92 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 92 I C -0.862 175.207 176.117 -0.079 0.000 0.999 92 I CA -0.596 60.664 61.300 -0.067 0.000 1.124 92 I CB 1.844 39.806 38.000 -0.064 0.000 1.289 92 I HN 0.369 nan 8.210 nan 0.000 0.441 93 I N 5.360 125.876 120.570 -0.089 0.000 2.382 93 I HA 0.260 4.430 4.170 -0.000 0.000 0.285 93 I C -0.177 175.849 176.117 -0.152 0.000 1.007 93 I CA -0.347 60.887 61.300 -0.110 0.000 1.142 93 I CB 1.316 39.256 38.000 -0.100 0.000 1.289 93 I HN 0.470 nan 8.210 nan 0.000 0.453 94 T N 6.617 121.083 114.554 -0.146 0.000 2.770 94 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 94 T C 1.632 176.223 174.700 -0.181 0.000 0.997 94 T CA -0.390 61.611 62.100 -0.165 0.000 0.949 94 T CB 1.606 70.404 68.868 -0.116 0.000 0.941 94 T HN 0.217 nan 8.240 nan 0.000 0.457 95 I N 1.428 121.840 120.570 -0.263 0.000 2.406 95 I HA -0.029 4.141 4.170 -0.000 0.000 0.249 95 I C 1.556 177.609 176.117 -0.107 0.000 1.122 95 I CA 0.544 61.719 61.300 -0.208 0.000 1.431 95 I CB -1.582 36.239 38.000 -0.298 0.000 1.087 95 I HN 0.503 nan 8.210 nan 0.000 0.424 96 T N 3.760 118.260 114.554 -0.090 0.000 2.781 96 T HA -0.143 4.207 4.350 -0.000 0.000 0.270 96 T C 0.548 175.225 174.700 -0.039 0.000 1.022 96 T CA 0.651 62.731 62.100 -0.033 0.000 1.144 96 T CB 0.400 69.252 68.868 -0.026 0.000 1.039 96 T HN 0.208 nan 8.240 nan 0.000 0.494 97 E N 1.310 121.499 120.200 -0.018 0.000 2.195 97 E HA 0.477 4.827 4.350 -0.000 0.000 0.271 97 E C 0.782 177.368 176.600 -0.024 0.000 0.923 97 E CA 0.055 56.441 56.400 -0.025 0.000 0.790 97 E CB 1.365 31.060 29.700 -0.007 0.000 1.155 97 E HN 0.893 nan 8.360 nan 0.000 0.402 98 G N 4.179 112.960 108.800 -0.032 0.000 2.148 98 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.203 98 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.203 98 G C 0.301 175.172 174.900 -0.049 0.000 0.993 98 G CA -0.005 45.074 45.100 -0.035 0.000 0.661 98 G HN 0.491 nan 8.290 nan 0.000 0.518 99 I N 1.985 122.524 120.570 -0.052 0.000 2.556 99 I HA 0.197 4.367 4.170 -0.000 0.000 0.284 99 I C -1.484 174.601 176.117 -0.054 0.000 1.114 99 I CA -1.713 59.552 61.300 -0.058 0.000 1.418 99 I CB 0.727 38.693 38.000 -0.057 0.000 1.394 99 I HN -0.103 nan 8.210 nan 0.000 0.552 100 P HA -0.018 nan 4.420 nan 0.000 0.262 100 P C 0.781 178.054 177.300 -0.045 0.000 1.182 100 P CA 0.264 63.335 63.100 -0.049 0.000 0.761 100 P CB 0.484 32.154 31.700 -0.050 0.000 0.795 101 T N 2.613 117.142 114.554 -0.041 0.000 2.653 101 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 101 T C 1.686 176.363 174.700 -0.039 0.000 1.035 101 T CA 1.359 63.434 62.100 -0.041 0.000 1.154 101 T CB -0.595 68.251 68.868 -0.036 0.000 0.862 101 T HN 0.348 nan 8.240 nan 0.000 0.441 102 L N 0.664 121.866 121.223 -0.035 0.000 2.191 102 L HA -0.132 4.207 4.340 -0.000 0.000 0.212 102 L C 2.361 179.211 176.870 -0.033 0.000 1.103 102 L CA 1.029 55.849 54.840 -0.032 0.000 0.769 102 L CB -0.514 41.528 42.059 -0.028 0.000 0.908 102 L HN 0.208 nan 8.230 nan 0.000 0.438 103 D N -0.530 119.848 120.400 -0.037 0.000 2.097 103 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 103 D C 2.259 178.536 176.300 -0.038 0.000 0.984 103 D CA 1.039 55.018 54.000 -0.036 0.000 0.826 103 D CB -0.021 40.755 40.800 -0.040 0.000 0.973 103 D HN 0.110 nan 8.370 nan 0.000 0.460 104 M N 0.385 119.959 119.600 -0.044 0.000 2.159 104 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 104 M C 2.286 178.558 176.300 -0.047 0.000 1.063 104 M CA 0.686 55.956 55.300 -0.049 0.000 1.110 104 M CB -0.871 31.695 32.600 -0.057 0.000 1.374 104 M HN 0.087 nan 8.290 nan 0.000 0.411 105 L N -0.531 120.666 121.223 -0.042 0.000 2.042 105 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 105 L C 2.169 179.017 176.870 -0.035 0.000 1.076 105 L CA 1.432 56.249 54.840 -0.039 0.000 0.749 105 L CB -0.335 41.704 42.059 -0.034 0.000 0.893 105 L HN 0.240 nan 8.230 nan 0.000 0.432 106 T N -1.136 113.399 114.554 -0.032 0.000 2.732 106 T HA -0.144 4.206 4.350 -0.000 0.000 0.261 106 T C 1.876 176.558 174.700 -0.031 0.000 1.040 106 T CA 1.408 63.491 62.100 -0.029 0.000 1.145 106 T CB -0.144 68.709 68.868 -0.025 0.000 0.866 106 T HN 0.147 nan 8.240 nan 0.000 0.427 107 V N 1.878 121.772 119.914 -0.034 0.000 2.324 107 V HA -0.226 3.893 4.120 -0.000 0.000 0.250 107 V C 2.537 178.606 176.094 -0.042 0.000 1.060 107 V CA 1.872 64.150 62.300 -0.036 0.000 1.042 107 V CB -0.519 31.281 31.823 -0.039 0.000 0.650 107 V HN 0.343 nan 8.190 nan 0.000 0.450 108 K N 0.349 120.721 120.400 -0.046 0.000 2.009 108 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 108 K C 1.879 178.452 176.600 -0.045 0.000 1.049 108 K CA 2.077 58.334 56.287 -0.051 0.000 0.929 108 K CB -0.976 31.491 32.500 -0.054 0.000 0.714 108 K HN 0.272 nan 8.250 nan 0.000 0.440 109 V N 1.092 120.983 119.914 -0.039 0.000 2.380 109 V HA -0.264 3.855 4.120 -0.000 0.000 0.251 109 V C 2.401 178.475 176.094 -0.033 0.000 1.063 109 V CA 2.209 64.489 62.300 -0.034 0.000 1.055 109 V CB -0.567 31.239 31.823 -0.029 0.000 0.657 109 V HN 0.375 nan 8.190 nan 0.000 0.455 110 K N 0.265 120.645 120.400 -0.032 0.000 2.025 110 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 110 K C 1.924 178.503 176.600 -0.034 0.000 1.049 110 K CA 1.539 57.808 56.287 -0.030 0.000 0.933 110 K CB -0.635 31.849 32.500 -0.028 0.000 0.714 110 K HN 0.377 nan 8.250 nan 0.000 0.438 111 L N 0.731 121.930 121.223 -0.039 0.000 1.971 111 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 111 L C 1.991 178.834 176.870 -0.044 0.000 1.072 111 L CA 1.873 56.687 54.840 -0.044 0.000 0.758 111 L CB -0.614 41.414 42.059 -0.052 0.000 0.889 111 L HN 0.268 nan 8.230 nan 0.000 0.433 112 D N -0.632 119.741 120.400 -0.045 0.000 2.097 112 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 112 D C 2.074 178.352 176.300 -0.037 0.000 0.989 112 D CA 1.279 55.252 54.000 -0.044 0.000 0.827 112 D CB -0.179 40.594 40.800 -0.044 0.000 0.966 112 D HN 0.376 nan 8.370 nan 0.000 0.456 113 E N 0.541 120.722 120.200 -0.033 0.000 2.077 113 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 113 E C 1.418 178.001 176.600 -0.028 0.000 0.989 113 E CA 1.128 57.511 56.400 -0.028 0.000 0.800 113 E CB -0.038 29.647 29.700 -0.025 0.000 0.746 113 E HN 0.150 nan 8.360 nan 0.000 0.452 114 A N 0.137 122.939 122.820 -0.030 0.000 2.276 114 A HA 0.279 4.599 4.320 -0.000 0.000 0.212 114 A C 1.493 179.058 177.584 -0.032 0.000 1.230 114 A CA 0.832 52.851 52.037 -0.029 0.000 0.844 114 A CB -0.521 18.462 19.000 -0.029 0.000 0.860 114 A HN 0.448 nan 8.150 nan 0.000 0.486 115 G N -0.954 107.826 108.800 -0.034 0.000 2.225 115 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.267 115 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.267 115 G C 0.194 175.070 174.900 -0.041 0.000 1.024 115 G CA 0.489 45.567 45.100 -0.037 0.000 0.784 115 G HN 0.725 nan 8.290 nan 0.000 0.507 116 V N -0.590 119.298 119.914 -0.043 0.000 2.837 116 V HA 0.734 4.854 4.120 -0.000 0.000 0.310 116 V C 0.690 176.751 176.094 -0.055 0.000 1.059 116 V CA -0.795 61.477 62.300 -0.047 0.000 1.004 116 V CB 1.813 33.609 31.823 -0.045 0.000 1.045 116 V HN 0.474 nan 8.190 nan 0.000 0.465 117 R N 2.908 123.373 120.500 -0.059 0.000 2.445 117 R HA 0.696 5.036 4.340 -0.000 0.000 0.308 117 R C -0.920 175.337 176.300 -0.072 0.000 0.961 117 R CA -0.279 55.780 56.100 -0.068 0.000 0.862 117 R CB 1.233 31.491 30.300 -0.071 0.000 1.144 117 R HN 0.779 nan 8.270 nan 0.000 0.447 118 M N 5.853 125.405 119.600 -0.080 0.000 2.263 118 M HA 0.451 4.930 4.480 -0.000 0.000 0.295 118 M C -1.532 174.710 176.300 -0.097 0.000 1.028 118 M CA -0.872 54.378 55.300 -0.084 0.000 0.921 118 M CB 1.504 34.056 32.600 -0.080 0.000 1.601 118 M HN 0.500 nan 8.290 nan 0.000 0.440 119 I N 4.194 124.705 120.570 -0.099 0.000 2.330 119 I HA 0.785 4.954 4.170 -0.000 0.000 0.289 119 I C 0.591 176.640 176.117 -0.112 0.000 1.001 119 I CA 0.069 61.305 61.300 -0.107 0.000 1.193 119 I CB 0.349 38.292 38.000 -0.095 0.000 1.345 119 I HN 0.946 nan 8.210 nan 0.000 0.461 120 G N 8.868 117.593 108.800 -0.124 0.000 2.298 120 G HA2 0.011 3.971 3.960 -0.000 0.000 0.309 120 G HA3 0.011 3.971 3.960 -0.000 0.000 0.309 120 G C -3.322 171.503 174.900 -0.125 0.000 1.279 120 G CA -0.744 44.280 45.100 -0.127 0.000 1.042 120 G HN 0.381 nan 8.290 nan 0.000 0.480 121 P HA 0.387 nan 4.420 nan 0.000 0.306 121 P C 0.127 177.353 177.300 -0.124 0.000 1.309 121 P CA 0.120 63.153 63.100 -0.112 0.000 0.759 121 P CB 0.633 32.277 31.700 -0.093 0.000 1.314 122 N N -2.081 116.553 118.700 -0.110 0.000 2.746 122 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 122 N C -0.980 174.445 175.510 -0.143 0.000 1.055 122 N CA 0.660 53.642 53.050 -0.113 0.000 0.699 122 N CB -1.853 36.558 38.487 -0.126 0.000 0.919 122 N HN 0.772 nan 8.380 nan 0.000 0.548 123 C N -1.980 117.250 119.300 -0.117 0.000 3.171 123 C HA 0.793 5.252 4.460 -0.000 0.000 0.308 123 C C -1.302 173.647 174.990 -0.068 0.000 1.334 123 C CA -0.857 58.095 59.018 -0.110 0.000 1.473 123 C CB 1.569 29.239 27.740 -0.117 0.000 1.866 123 C HN 0.225 nan 8.230 nan 0.000 0.465 124 P HA 0.274 nan 4.420 nan 0.000 0.220 124 P C 0.830 178.142 177.300 0.020 0.000 1.152 124 P CA 2.286 65.404 63.100 0.030 0.000 0.812 124 P CB 0.224 31.980 31.700 0.094 0.000 0.792 125 G N -1.339 107.456 108.800 -0.009 0.000 2.297 125 G HA2 0.025 3.985 3.960 -0.000 0.000 0.209 125 G HA3 0.025 3.985 3.960 -0.000 0.000 0.209 125 G C -1.682 173.211 174.900 -0.011 0.000 1.267 125 G CA -0.334 44.752 45.100 -0.024 0.000 1.127 125 G HN 0.120 nan 8.290 nan 0.000 0.498 126 V N 0.687 120.588 119.914 -0.022 0.000 2.808 126 V HA 0.771 4.891 4.120 -0.000 0.000 0.308 126 V C -0.384 175.678 176.094 -0.053 0.000 1.099 126 V CA -0.459 61.828 62.300 -0.022 0.000 0.920 126 V CB 1.773 33.578 31.823 -0.028 0.000 1.014 126 V HN 0.984 nan 8.190 nan 0.000 0.425 127 I N 2.542 123.070 120.570 -0.070 0.000 2.686 127 I HA 0.574 4.743 4.170 -0.000 0.000 0.295 127 I C -0.698 175.373 176.117 -0.077 0.000 1.114 127 I CA -0.056 61.155 61.300 -0.149 0.000 1.038 127 I CB 2.616 40.396 38.000 -0.366 0.000 1.238 127 I HN 0.616 nan 8.210 nan 0.000 0.420 128 T N 7.976 122.511 114.554 -0.031 0.000 2.963 128 T HA 0.388 4.738 4.350 -0.000 0.000 0.343 128 T C -2.583 172.171 174.700 0.090 0.000 1.146 128 T CA -1.101 61.025 62.100 0.043 0.000 1.016 128 T CB 1.035 69.942 68.868 0.065 0.000 1.046 128 T HN 0.309 nan 8.240 nan 0.000 0.496 129 P HA 0.092 nan 4.420 nan 0.000 0.259 129 P C 1.135 178.555 177.300 0.201 0.000 1.163 129 P CA 1.280 64.491 63.100 0.184 0.000 0.760 129 P CB 0.265 32.066 31.700 0.167 0.000 0.762 130 G N 3.176 112.124 108.800 0.246 0.000 2.363 130 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.238 130 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.238 130 G C 1.002 175.921 174.900 0.031 0.000 1.062 130 G CA 0.387 45.510 45.100 0.038 0.000 0.629 130 G HN 0.540 nan 8.290 nan 0.000 0.514 131 E N -1.258 119.026 120.200 0.141 0.000 2.152 131 E HA 0.367 4.717 4.350 -0.000 0.000 0.195 131 E C 0.659 177.372 176.600 0.188 0.000 0.934 131 E CA 0.762 57.231 56.400 0.115 0.000 0.869 131 E CB 0.807 30.557 29.700 0.084 0.000 0.842 131 E HN 0.438 nan 8.360 nan 0.000 0.472 132 C N 0.927 120.364 119.300 0.228 0.000 2.783 132 C HA 0.495 4.955 4.460 -0.000 0.000 0.312 132 C C -1.597 173.420 174.990 0.045 0.000 1.182 132 C CA -0.637 58.484 59.018 0.172 0.000 1.432 132 C CB 1.035 28.824 27.740 0.082 0.000 1.933 132 C HN 0.136 nan 8.230 nan 0.000 0.473 133 K N 5.211 125.596 120.400 -0.024 0.000 2.578 133 K HA 0.678 4.998 4.320 -0.000 0.000 0.250 133 K C -1.637 174.924 176.600 -0.064 0.000 0.955 133 K CA -0.346 55.812 56.287 -0.214 0.000 0.825 133 K CB 0.984 33.118 32.500 -0.610 0.000 1.151 133 K HN 0.731 nan 8.250 nan 0.000 0.432 134 I N 3.605 124.150 120.570 -0.043 0.000 2.448 134 I HA 0.519 4.689 4.170 -0.000 0.000 0.281 134 I C 0.168 176.296 176.117 0.019 0.000 1.027 134 I CA -0.435 60.876 61.300 0.018 0.000 1.111 134 I CB 1.751 39.755 38.000 0.005 0.000 1.236 134 I HN 0.875 nan 8.210 nan 0.000 0.452 135 G N 4.926 113.779 108.800 0.089 0.000 2.350 135 G HA2 0.057 4.016 3.960 -0.000 0.000 0.282 135 G HA3 0.057 4.016 3.960 -0.000 0.000 0.282 135 G C -0.023 174.947 174.900 0.116 0.000 1.314 135 G CA -0.373 44.777 45.100 0.083 0.000 0.915 135 G HN 0.605 nan 8.290 nan 0.000 0.499 136 I N -1.344 119.241 120.570 0.026 0.000 3.645 136 I HA 0.268 4.438 4.170 -0.000 0.000 0.300 136 I C 1.196 177.403 176.117 0.150 0.000 1.260 136 I CA 0.125 61.418 61.300 -0.011 0.000 1.365 136 I CB 0.062 37.901 38.000 -0.269 0.000 1.077 136 I HN 0.557 nan 8.210 nan 0.000 0.439 137 Q N 4.378 124.253 119.800 0.125 0.000 2.369 137 Q HA 0.123 4.463 4.340 -0.000 0.000 0.295 137 Q C -2.381 173.558 176.000 -0.102 0.000 1.075 137 Q CA -1.260 54.553 55.803 0.016 0.000 0.941 137 Q CB -0.646 28.159 28.738 0.113 0.000 1.260 137 Q HN 0.222 nan 8.270 nan 0.000 0.417 138 P HA 0.100 nan 4.420 nan 0.000 0.280 138 P C 0.543 177.657 177.300 -0.311 0.000 1.300 138 P CA 0.043 62.936 63.100 -0.345 0.000 0.785 138 P CB 0.660 32.062 31.700 -0.498 0.000 0.874 139 G N 3.540 112.241 108.800 -0.165 0.000 2.450 139 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 139 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 139 G C 0.982 176.033 174.900 0.251 0.000 1.130 139 G CA 0.660 45.797 45.100 0.061 0.000 0.760 139 G HN 0.699 nan 8.290 nan 0.000 0.557 140 H N -0.125 119.063 119.070 0.197 0.000 2.556 140 H HA 0.263 4.819 4.556 -0.000 0.000 0.273 140 H C 1.692 177.049 175.328 0.047 0.000 1.030 140 H CA 0.370 56.499 56.048 0.135 0.000 1.156 140 H CB -0.557 29.255 29.762 0.084 0.000 1.326 140 H HN 0.519 nan 8.280 nan 0.000 0.609 141 I N -3.335 117.216 120.570 -0.032 0.000 4.139 141 I HA 0.329 4.499 4.170 -0.000 0.000 0.335 141 I C -0.459 175.545 176.117 -0.187 0.000 1.327 141 I CA -0.640 60.597 61.300 -0.106 0.000 1.112 141 I CB 0.175 38.029 38.000 -0.243 0.000 1.058 141 I HN 0.027 nan 8.210 nan 0.000 0.396 142 H N 2.468 121.582 119.070 0.073 0.000 2.544 142 H HA 0.723 5.279 4.556 -0.000 0.000 0.342 142 H C -0.538 174.859 175.328 0.115 0.000 1.185 142 H CA -0.772 55.331 56.048 0.092 0.000 1.264 142 H CB 1.115 30.929 29.762 0.088 0.000 1.607 142 H HN 0.147 nan 8.280 nan 0.000 0.550 143 K N 0.264 120.812 120.400 0.247 0.000 2.550 143 K HA 0.371 4.691 4.320 -0.000 0.000 0.252 143 K C -3.390 173.303 176.600 0.155 0.000 0.943 143 K CA -2.036 54.355 56.287 0.173 0.000 0.806 143 K CB 2.010 34.586 32.500 0.126 0.000 1.289 143 K HN 0.228 nan 8.250 nan 0.000 0.435 144 P HA -0.002 nan 4.420 nan 0.000 0.259 144 P C -0.367 176.996 177.300 0.106 0.000 1.163 144 P CA 0.674 63.840 63.100 0.109 0.000 0.760 144 P CB 0.732 32.482 31.700 0.084 0.000 0.762 145 G N 2.898 111.763 108.800 0.108 0.000 2.694 145 G HA2 0.387 4.347 3.960 -0.000 0.000 0.246 145 G HA3 0.387 4.347 3.960 -0.000 0.000 0.246 145 G C -0.592 174.365 174.900 0.096 0.000 1.205 145 G CA -0.666 44.502 45.100 0.113 0.000 0.891 145 G HN 0.399 nan 8.290 nan 0.000 0.515 146 K N -0.832 119.626 120.400 0.098 0.000 2.438 146 K HA 0.539 4.858 4.320 -0.000 0.000 0.206 146 K C -0.325 176.262 176.600 -0.020 0.000 1.081 146 K CA -0.090 56.228 56.287 0.052 0.000 1.053 146 K CB 1.366 33.909 32.500 0.070 0.000 0.908 146 K HN 0.201 nan 8.250 nan 0.000 0.556 147 V N 1.545 121.443 119.914 -0.027 0.000 2.435 147 V HA 0.579 4.699 4.120 -0.000 0.000 0.290 147 V C 0.340 176.328 176.094 -0.177 0.000 1.030 147 V CA -0.857 61.365 62.300 -0.130 0.000 0.881 147 V CB 1.481 33.232 31.823 -0.119 0.000 0.983 147 V HN 0.326 nan 8.190 nan 0.000 0.445 148 G N 4.102 112.648 108.800 -0.424 0.000 2.388 148 G HA2 0.782 4.742 3.960 -0.000 0.000 0.330 148 G HA3 0.782 4.742 3.960 -0.000 0.000 0.330 148 G C -1.013 173.555 174.900 -0.553 0.000 1.142 148 G CA -0.546 44.098 45.100 -0.760 0.000 0.908 148 G HN 0.632 nan 8.290 nan 0.000 0.473 149 I N 1.012 121.494 120.570 -0.147 0.000 2.533 149 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 149 I C -0.499 175.778 176.117 0.268 0.000 1.056 149 I CA -1.213 60.116 61.300 0.049 0.000 1.057 149 I CB 2.472 40.520 38.000 0.080 0.000 1.240 149 I HN 0.289 nan 8.210 nan 0.000 0.423 150 V N 2.103 122.191 119.914 0.290 0.000 2.448 150 V HA 0.785 4.904 4.120 -0.000 0.000 0.295 150 V C -0.247 176.044 176.094 0.330 0.000 1.025 150 V CA -0.461 62.046 62.300 0.346 0.000 0.859 150 V CB 1.342 33.455 31.823 0.482 0.000 0.988 150 V HN 0.773 nan 8.190 nan 0.000 0.431 151 S N 2.641 118.486 115.700 0.241 0.000 2.536 151 S HA 0.539 5.009 4.470 -0.000 0.000 0.271 151 S C 0.476 175.125 174.600 0.081 0.000 1.134 151 S CA -0.757 57.566 58.200 0.206 0.000 0.897 151 S CB 2.302 65.581 63.200 0.132 0.000 1.094 151 S HN 0.796 nan 8.310 nan 0.000 0.473 152 R N 1.122 121.675 120.500 0.087 0.000 2.193 152 R HA 0.134 4.474 4.340 -0.000 0.000 0.213 152 R C 0.585 176.862 176.300 -0.037 0.000 1.055 152 R CA 0.447 56.519 56.100 -0.047 0.000 0.995 152 R CB 0.088 30.378 30.300 -0.018 0.000 0.893 152 R HN 0.459 nan 8.270 nan 0.000 0.459 153 S N -1.044 114.694 115.700 0.064 0.000 2.525 153 S HA 0.391 4.861 4.470 -0.000 0.000 0.290 153 S C 0.927 175.511 174.600 -0.026 0.000 1.152 153 S CA -0.730 57.531 58.200 0.101 0.000 1.072 153 S CB 1.831 65.108 63.200 0.129 0.000 1.027 153 S HN 0.250 nan 8.310 nan 0.000 0.500 154 G N 2.024 110.765 108.800 -0.098 0.000 2.417 154 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.212 154 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.212 154 G C 1.432 175.887 174.900 -0.742 0.000 1.187 154 G CA 1.027 45.954 45.100 -0.287 0.000 0.804 154 G HN 0.837 nan 8.290 nan 0.000 0.534 155 T N 0.697 114.890 114.554 -0.602 0.000 2.684 155 T HA -0.051 4.298 4.350 -0.000 0.000 0.267 155 T C 2.425 176.940 174.700 -0.309 0.000 1.036 155 T CA 1.060 62.801 62.100 -0.598 0.000 1.148 155 T CB -0.473 68.279 68.868 -0.192 0.000 0.863 155 T HN 0.110 nan 8.240 nan 0.000 0.436 156 L N 0.980 122.123 121.223 -0.132 0.000 2.129 156 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 156 L C 3.094 179.968 176.870 0.007 0.000 1.087 156 L CA 1.645 56.482 54.840 -0.004 0.000 0.757 156 L CB -1.111 40.997 42.059 0.083 0.000 0.896 156 L HN 0.387 nan 8.230 nan 0.000 0.434 157 T N -1.277 113.251 114.554 -0.043 0.000 2.708 157 T HA -0.205 4.144 4.350 -0.000 0.000 0.266 157 T C 1.682 176.506 174.700 0.207 0.000 1.037 157 T CA 1.319 63.466 62.100 0.079 0.000 1.146 157 T CB -0.297 68.632 68.868 0.102 0.000 0.865 157 T HN 0.216 nan 8.240 nan 0.000 0.435 158 Y N 1.940 122.270 120.300 0.049 0.000 2.256 158 Y HA -0.044 4.505 4.550 -0.000 0.000 0.288 158 Y C 2.501 178.399 175.900 -0.004 0.000 1.155 158 Y CA -0.092 58.012 58.100 0.006 0.000 1.203 158 Y CB -0.901 37.564 38.460 0.009 0.000 0.980 158 Y HN 0.250 nan 8.280 nan 0.000 0.530 159 E N 0.068 120.358 120.200 0.149 0.000 2.015 159 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 159 E C 2.528 179.155 176.600 0.046 0.000 0.991 159 E CA 1.194 57.637 56.400 0.072 0.000 0.802 159 E CB -0.626 29.089 29.700 0.025 0.000 0.759 159 E HN 0.352 nan 8.360 nan 0.000 0.447 160 A N 1.280 124.126 122.820 0.045 0.000 1.908 160 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 160 A C 2.654 180.267 177.584 0.049 0.000 1.181 160 A CA 1.614 53.666 52.037 0.025 0.000 0.627 160 A CB -0.856 18.165 19.000 0.036 0.000 0.818 160 A HN 0.129 nan 8.150 nan 0.000 0.445 161 V N 0.254 120.220 119.914 0.087 0.000 2.231 161 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 161 V C 2.612 178.728 176.094 0.037 0.000 1.054 161 V CA 2.736 65.080 62.300 0.073 0.000 1.015 161 V CB -0.654 31.171 31.823 0.003 0.000 0.638 161 V HN 0.753 nan 8.190 nan 0.000 0.444 162 K N -0.068 120.343 120.400 0.019 0.000 2.020 162 K HA -0.262 4.058 4.320 -0.000 0.000 0.212 162 K C 2.174 178.805 176.600 0.052 0.000 1.050 162 K CA 2.061 58.364 56.287 0.027 0.000 0.929 162 K CB -0.414 32.107 32.500 0.034 0.000 0.714 162 K HN 0.562 nan 8.250 nan 0.000 0.443 163 Q N -0.548 119.268 119.800 0.027 0.000 2.061 163 Q HA -0.165 4.174 4.340 -0.000 0.000 0.204 163 Q C 2.081 178.110 176.000 0.048 0.000 0.984 163 Q CA 2.350 58.146 55.803 -0.012 0.000 0.846 163 Q CB -0.426 28.236 28.738 -0.126 0.000 0.902 163 Q HN 0.686 nan 8.270 nan 0.000 0.421 164 T N -2.631 111.977 114.554 0.091 0.000 3.007 164 T HA -0.051 4.298 4.350 -0.000 0.000 0.270 164 T C 1.793 176.644 174.700 0.251 0.000 1.107 164 T CA 1.381 63.636 62.100 0.259 0.000 1.118 164 T CB -0.167 68.816 68.868 0.191 0.000 0.889 164 T HN 0.083 nan 8.240 nan 0.000 0.506 165 T N 1.690 116.337 114.554 0.155 0.000 2.894 165 T HA -0.020 4.330 4.350 -0.000 0.000 0.258 165 T C 1.621 176.384 174.700 0.104 0.000 1.043 165 T CA 1.075 63.248 62.100 0.122 0.000 1.141 165 T CB -0.368 68.552 68.868 0.087 0.000 0.873 165 T HN 0.389 nan 8.240 nan 0.000 0.449 166 D N 0.575 121.056 120.400 0.135 0.000 2.084 166 D HA -0.048 4.591 4.640 -0.000 0.000 0.196 166 D C 1.317 177.703 176.300 0.144 0.000 0.985 166 D CA 1.053 55.137 54.000 0.141 0.000 0.826 166 D CB -0.394 40.525 40.800 0.197 0.000 0.978 166 D HN 0.353 nan 8.370 nan 0.000 0.456 167 Y N 0.533 120.787 120.300 -0.077 0.000 2.665 167 Y HA 0.137 4.687 4.550 -0.000 0.000 0.320 167 Y C 2.005 177.548 175.900 -0.595 0.000 1.204 167 Y CA 0.530 58.461 58.100 -0.282 0.000 1.315 167 Y CB -0.441 37.926 38.460 -0.155 0.000 1.033 167 Y HN 0.115 nan 8.280 nan 0.000 0.509 168 G N -1.039 107.654 108.800 -0.178 0.000 2.302 168 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.263 168 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.263 168 G C 1.119 175.934 174.900 -0.142 0.000 0.995 168 G CA 0.699 45.684 45.100 -0.191 0.000 0.622 168 G HN 0.394 nan 8.290 nan 0.000 0.538 169 F N 1.440 121.450 119.950 0.100 0.000 2.120 169 F HA 0.280 4.807 4.527 -0.000 0.000 0.300 169 F C 2.299 178.135 175.800 0.060 0.000 1.095 169 F CA 2.099 60.142 58.000 0.071 0.000 1.249 169 F CB -0.964 38.075 39.000 0.064 0.000 0.995 169 F HN 1.268 nan 8.300 nan 0.000 0.480 170 G N -0.218 108.738 108.800 0.260 0.000 2.829 170 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.628 170 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.628 170 G C -1.097 173.903 174.900 0.166 0.000 1.412 170 G CA -0.791 44.419 45.100 0.183 0.000 0.864 170 G HN 0.367 nan 8.290 nan 0.000 0.544 171 Q N -0.611 119.278 119.800 0.148 0.000 2.375 171 Q HA 0.698 5.037 4.340 -0.000 0.000 0.271 171 Q C 1.078 177.142 176.000 0.108 0.000 1.074 171 Q CA -0.186 55.688 55.803 0.118 0.000 0.808 171 Q CB 1.990 30.818 28.738 0.151 0.000 1.327 171 Q HN 0.906 nan 8.270 nan 0.000 0.441 172 S N 0.294 116.044 115.700 0.084 0.000 2.326 172 S HA 0.082 4.551 4.470 -0.000 0.000 0.211 172 S C 0.401 175.087 174.600 0.143 0.000 1.031 172 S CA 0.649 58.917 58.200 0.113 0.000 0.985 172 S CB -0.026 63.249 63.200 0.125 0.000 0.961 172 S HN 0.557 nan 8.310 nan 0.000 0.436 173 T N 0.555 115.233 114.554 0.206 0.000 2.952 173 T HA 0.497 4.847 4.350 -0.000 0.000 0.305 173 T C -1.352 173.507 174.700 0.266 0.000 1.064 173 T CA -0.575 61.651 62.100 0.211 0.000 1.008 173 T CB 1.489 70.486 68.868 0.216 0.000 1.078 173 T HN 0.421 nan 8.240 nan 0.000 0.459 174 C N 3.496 122.894 119.300 0.163 0.000 2.255 174 C HA 0.685 5.145 4.460 -0.000 0.000 0.326 174 C C 0.211 175.292 174.990 0.150 0.000 1.258 174 C CA -0.700 58.425 59.018 0.179 0.000 1.676 174 C CB -0.334 27.495 27.740 0.149 0.000 2.314 174 C HN 0.675 nan 8.230 nan 0.000 0.509 175 V N 3.623 123.653 119.914 0.192 0.000 2.357 175 V HA 0.592 4.711 4.120 -0.000 0.000 0.284 175 V C 0.709 176.853 176.094 0.083 0.000 1.018 175 V CA -0.110 62.254 62.300 0.106 0.000 0.841 175 V CB 1.505 33.366 31.823 0.064 0.000 0.991 175 V HN 1.037 nan 8.190 nan 0.000 0.437 176 G N 4.271 113.092 108.800 0.035 0.000 2.475 176 G HA2 0.448 4.408 3.960 -0.000 0.000 0.322 176 G HA3 0.448 4.408 3.960 -0.000 0.000 0.322 176 G C 0.755 175.618 174.900 -0.063 0.000 1.044 176 G CA -0.421 44.679 45.100 -0.000 0.000 1.047 176 G HN 0.954 nan 8.290 nan 0.000 0.436 177 I N 1.148 121.657 120.570 -0.102 0.000 3.291 177 I HA 0.391 4.561 4.170 -0.000 0.000 0.279 177 I C 0.974 176.972 176.117 -0.198 0.000 1.294 177 I CA 0.363 61.558 61.300 -0.175 0.000 1.428 177 I CB -0.426 37.405 38.000 -0.282 0.000 1.070 177 I HN 0.644 nan 8.210 nan 0.000 0.478 178 G N 0.614 109.297 108.800 -0.194 0.000 2.663 178 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 178 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 178 G C 0.172 174.883 174.900 -0.316 0.000 1.246 178 G CA -0.524 44.436 45.100 -0.234 0.000 0.795 178 G HN 0.500 nan 8.290 nan 0.000 0.627 179 G N -0.175 108.363 108.800 -0.437 0.000 3.337 179 G HA2 0.446 4.406 3.960 -0.000 0.000 0.246 179 G HA3 0.446 4.406 3.960 -0.000 0.000 0.246 179 G C 0.102 174.843 174.900 -0.266 0.000 1.131 179 G CA 0.606 45.366 45.100 -0.566 0.000 0.773 179 G HN 0.676 nan 8.290 nan 0.000 0.544 180 D N 0.497 120.779 120.400 -0.196 0.000 2.348 180 D HA 0.266 4.906 4.640 -0.000 0.000 0.249 180 D C -1.228 175.010 176.300 -0.104 0.000 1.110 180 D CA -1.824 52.103 54.000 -0.122 0.000 0.967 180 D CB 1.732 42.466 40.800 -0.110 0.000 1.139 180 D HN -0.114 nan 8.370 nan 0.000 0.466 181 P HA 0.032 nan 4.420 nan 0.000 0.217 181 P C 0.130 177.385 177.300 -0.076 0.000 1.150 181 P CA 1.027 64.089 63.100 -0.064 0.000 0.832 181 P CB 0.444 32.116 31.700 -0.047 0.000 0.787 182 I N 0.611 121.133 120.570 -0.081 0.000 2.537 182 I HA 0.276 4.445 4.170 -0.000 0.000 0.276 182 I C -2.472 173.585 176.117 -0.100 0.000 1.063 182 I CA -2.291 58.958 61.300 -0.085 0.000 1.144 182 I CB 2.084 40.044 38.000 -0.067 0.000 1.252 182 I HN -0.123 nan 8.210 nan 0.000 0.480 183 P HA 0.212 nan 4.420 nan 0.000 0.280 183 P C 0.803 178.028 177.300 -0.124 0.000 1.272 183 P CA -0.263 62.755 63.100 -0.137 0.000 0.819 183 P CB 1.650 33.242 31.700 -0.181 0.000 1.122 184 G N 0.127 108.856 108.800 -0.119 0.000 2.534 184 G HA2 -0.000 3.959 3.960 -0.000 0.000 0.217 184 G HA3 -0.000 3.959 3.960 -0.000 0.000 0.217 184 G C 0.182 175.014 174.900 -0.115 0.000 1.128 184 G CA 0.299 45.335 45.100 -0.106 0.000 0.784 184 G HN 0.536 nan 8.290 nan 0.000 0.542 185 S N -0.729 114.888 115.700 -0.139 0.000 2.575 185 S HA 0.385 4.854 4.470 -0.000 0.000 0.278 185 S C -0.281 174.201 174.600 -0.196 0.000 1.139 185 S CA -0.926 57.184 58.200 -0.150 0.000 0.954 185 S CB 1.785 64.899 63.200 -0.144 0.000 1.054 185 S HN 0.682 nan 8.310 nan 0.000 0.483 186 N N 0.774 119.355 118.700 -0.198 0.000 2.867 186 N HA 0.494 5.234 4.740 -0.000 0.000 0.326 186 N C 0.057 175.416 175.510 -0.252 0.000 1.355 186 N CA -0.810 52.073 53.050 -0.278 0.000 0.830 186 N CB 0.053 38.420 38.487 -0.200 0.000 1.152 186 N HN 0.288 nan 8.380 nan 0.000 0.569 187 F N 0.288 120.185 119.950 -0.088 0.000 2.060 187 F HA 0.092 4.618 4.527 -0.000 0.000 0.295 187 F C 2.305 178.030 175.800 -0.125 0.000 1.120 187 F CA 0.756 58.713 58.000 -0.073 0.000 1.205 187 F CB -0.776 38.197 39.000 -0.045 0.000 0.986 187 F HN 0.349 nan 8.300 nan 0.000 0.470 188 I N 0.065 120.634 120.570 -0.002 0.000 2.300 188 I HA -0.332 3.838 4.170 -0.000 0.000 0.252 188 I C 1.840 177.768 176.117 -0.316 0.000 1.119 188 I CA 1.411 62.513 61.300 -0.331 0.000 1.384 188 I CB -0.493 37.213 38.000 -0.490 0.000 1.062 188 I HN 0.176 nan 8.210 nan 0.000 0.426 189 D N 0.592 120.877 120.400 -0.191 0.000 2.149 189 D HA -0.076 4.563 4.640 -0.000 0.000 0.201 189 D C 2.196 178.404 176.300 -0.153 0.000 0.972 189 D CA 1.179 55.076 54.000 -0.172 0.000 0.835 189 D CB 0.129 40.840 40.800 -0.147 0.000 0.966 189 D HN 0.309 nan 8.370 nan 0.000 0.476 190 I N 0.644 121.140 120.570 -0.123 0.000 2.703 190 I HA -0.049 4.121 4.170 -0.000 0.000 0.259 190 I C 2.542 178.576 176.117 -0.139 0.000 1.151 190 I CA 0.314 61.502 61.300 -0.187 0.000 1.470 190 I CB -0.755 37.162 38.000 -0.139 0.000 1.112 190 I HN -0.004 nan 8.210 nan 0.000 0.437 191 L N 1.023 122.282 121.223 0.060 0.000 1.956 191 L HA -0.265 4.075 4.340 -0.000 0.000 0.216 191 L C 2.630 179.615 176.870 0.191 0.000 1.073 191 L CA 2.054 57.027 54.840 0.222 0.000 0.762 191 L CB -0.596 41.592 42.059 0.214 0.000 0.889 191 L HN 0.309 nan 8.230 nan 0.000 0.433 192 E N -0.113 120.154 120.200 0.111 0.000 2.273 192 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 192 E C 2.152 178.785 176.600 0.056 0.000 1.002 192 E CA 1.223 57.713 56.400 0.149 0.000 0.828 192 E CB -0.030 29.731 29.700 0.103 0.000 0.747 192 E HN 0.492 nan 8.360 nan 0.000 0.491 193 M N -0.566 118.994 119.600 -0.067 0.000 2.288 193 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 193 M C 1.410 177.677 176.300 -0.054 0.000 1.072 193 M CA 0.773 55.998 55.300 -0.125 0.000 1.132 193 M CB -0.024 32.405 32.600 -0.285 0.000 1.386 193 M HN 0.135 nan 8.290 nan 0.000 0.432 194 F N 0.874 120.856 119.950 0.052 0.000 2.098 194 F HA -0.131 4.396 4.527 -0.000 0.000 0.294 194 F C 2.478 178.311 175.800 0.054 0.000 1.107 194 F CA 1.420 59.451 58.000 0.051 0.000 1.234 194 F CB -1.073 37.959 39.000 0.054 0.000 1.002 194 F HN 0.097 nan 8.300 nan 0.000 0.472 195 E N 0.943 121.306 120.200 0.272 0.000 2.208 195 E HA -0.234 4.115 4.350 -0.000 0.000 0.202 195 E C 1.238 177.917 176.600 0.130 0.000 1.014 195 E CA 1.618 58.124 56.400 0.176 0.000 0.819 195 E CB -0.307 29.496 29.700 0.171 0.000 0.735 195 E HN 0.310 nan 8.360 nan 0.000 0.469 196 K N 0.096 120.569 120.400 0.122 0.000 2.397 196 K HA 0.097 4.417 4.320 -0.000 0.000 0.202 196 K C -0.366 176.285 176.600 0.086 0.000 1.022 196 K CA 0.122 56.460 56.287 0.085 0.000 1.141 196 K CB 0.332 32.869 32.500 0.062 0.000 0.857 196 K HN 0.027 nan 8.250 nan 0.000 0.514 197 D N 1.732 122.205 120.400 0.123 0.000 2.349 197 D HA 0.109 4.749 4.640 -0.000 0.000 0.232 197 D C -1.429 174.934 176.300 0.105 0.000 1.071 197 D CA -2.514 51.560 54.000 0.124 0.000 0.832 197 D CB 1.685 42.601 40.800 0.194 0.000 1.086 197 D HN -0.159 nan 8.370 nan 0.000 0.504 198 P HA -0.227 nan 4.420 nan 0.000 0.214 198 P C 1.270 178.609 177.300 0.066 0.000 1.163 198 P CA 1.111 64.249 63.100 0.063 0.000 0.883 198 P CB 0.225 31.956 31.700 0.052 0.000 0.788 199 Q N -0.047 119.797 119.800 0.074 0.000 2.522 199 Q HA -0.071 4.269 4.340 -0.000 0.000 0.216 199 Q C -0.224 175.817 176.000 0.068 0.000 0.986 199 Q CA 0.836 56.683 55.803 0.073 0.000 0.901 199 Q CB -0.444 28.343 28.738 0.081 0.000 0.954 199 Q HN 0.166 nan 8.270 nan 0.000 0.502 200 T N 0.453 115.051 114.554 0.074 0.000 2.770 200 T HA 0.181 4.531 4.350 -0.000 0.000 0.297 200 T C -0.179 174.522 174.700 0.002 0.000 0.997 200 T CA -0.474 61.641 62.100 0.025 0.000 0.949 200 T CB 1.452 70.348 68.868 0.047 0.000 0.941 200 T HN 0.220 nan 8.240 nan 0.000 0.457 201 E N 1.777 121.962 120.200 -0.024 0.000 2.216 201 E HA 0.342 4.691 4.350 -0.000 0.000 0.192 201 E C 0.752 177.314 176.600 -0.063 0.000 0.973 201 E CA 0.005 56.391 56.400 -0.024 0.000 0.851 201 E CB 0.458 30.155 29.700 -0.007 0.000 0.804 201 E HN 0.682 nan 8.360 nan 0.000 0.477 202 A N 0.618 123.367 122.820 -0.119 0.000 2.587 202 A HA 0.659 4.979 4.320 -0.000 0.000 0.293 202 A C -1.399 176.055 177.584 -0.217 0.000 1.087 202 A CA -0.704 51.246 52.037 -0.147 0.000 0.692 202 A CB 1.195 20.094 19.000 -0.168 0.000 1.291 202 A HN 0.065 nan 8.150 nan 0.000 0.407 203 I N 0.845 121.301 120.570 -0.191 0.000 2.465 203 I HA 0.468 4.638 4.170 -0.000 0.000 0.291 203 I C -0.907 175.116 176.117 -0.156 0.000 1.014 203 I CA -1.058 60.102 61.300 -0.234 0.000 1.093 203 I CB 2.072 39.972 38.000 -0.166 0.000 1.267 203 I HN 0.264 nan 8.210 nan 0.000 0.431 204 V N 6.686 126.508 119.914 -0.154 0.000 2.328 204 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 204 V C 0.024 176.098 176.094 -0.033 0.000 1.021 204 V CA -0.381 61.871 62.300 -0.080 0.000 0.838 204 V CB 1.350 33.135 31.823 -0.064 0.000 0.999 204 V HN 0.714 nan 8.190 nan 0.000 0.447 205 M N 6.980 126.552 119.600 -0.047 0.000 2.047 205 M HA 0.554 5.034 4.480 -0.000 0.000 0.342 205 M C -1.200 175.042 176.300 -0.097 0.000 1.058 205 M CA -0.365 54.879 55.300 -0.093 0.000 0.991 205 M CB 0.529 32.988 32.600 -0.235 0.000 1.474 205 M HN 0.514 nan 8.290 nan 0.000 0.419 206 I N 4.598 125.183 120.570 0.025 0.000 2.312 206 I HA 0.545 4.715 4.170 -0.000 0.000 0.290 206 I C 0.568 176.754 176.117 0.116 0.000 1.008 206 I CA -0.501 60.836 61.300 0.062 0.000 1.226 206 I CB 1.307 39.392 38.000 0.141 0.000 1.371 206 I HN 0.730 nan 8.210 nan 0.000 0.468 207 G N 5.045 113.829 108.800 -0.026 0.000 3.108 207 G HA2 0.840 4.799 3.960 -0.000 0.000 0.268 207 G HA3 0.840 4.799 3.960 -0.000 0.000 0.268 207 G C -1.135 173.706 174.900 -0.097 0.000 1.361 207 G CA -0.364 44.769 45.100 0.055 0.000 1.047 207 G HN 0.662 nan 8.290 nan 0.000 0.540 208 E N -1.814 118.349 120.200 -0.063 0.000 2.425 208 E HA 0.414 4.763 4.350 -0.000 0.000 0.272 208 E C -0.309 176.246 176.600 -0.075 0.000 1.061 208 E CA -0.973 55.366 56.400 -0.102 0.000 0.877 208 E CB 1.100 30.785 29.700 -0.024 0.000 1.590 208 E HN 0.713 nan 8.360 nan 0.000 0.462 209 I N -1.202 119.328 120.570 -0.066 0.000 3.246 209 I HA 0.503 4.673 4.170 -0.000 0.000 0.280 209 I C 0.725 176.831 176.117 -0.018 0.000 1.239 209 I CA 0.597 61.870 61.300 -0.045 0.000 1.336 209 I CB -0.234 37.746 38.000 -0.034 0.000 1.383 209 I HN 0.838 nan 8.210 nan 0.000 0.617 210 G N 1.693 110.484 108.800 -0.015 0.000 2.862 210 G HA2 0.419 4.379 3.960 -0.000 0.000 0.686 210 G HA3 0.419 4.379 3.960 -0.000 0.000 0.686 210 G C 0.085 174.981 174.900 -0.006 0.000 1.134 210 G CA -0.290 44.805 45.100 -0.008 0.000 0.791 210 G HN 2.605 nan 8.290 nan 0.000 0.592 211 G N 0.327 109.122 108.800 -0.007 0.000 2.681 211 G HA2 0.388 4.348 3.960 -0.000 0.000 0.220 211 G HA3 0.388 4.348 3.960 -0.000 0.000 0.220 211 G C 0.728 175.631 174.900 0.004 0.000 1.353 211 G CA 0.892 45.989 45.100 -0.006 0.000 0.872 211 G HN 2.677 nan 8.290 nan 0.000 0.557 212 S N -2.149 113.558 115.700 0.012 0.000 3.082 212 S HA 0.643 5.113 4.470 -0.000 0.000 0.253 212 S C 1.562 176.194 174.600 0.053 0.000 0.961 212 S CA 1.026 59.240 58.200 0.024 0.000 1.129 212 S CB 0.647 63.855 63.200 0.015 0.000 1.083 212 S HN 2.235 nan 8.310 nan 0.000 0.605 213 A N 2.003 124.871 122.820 0.079 0.000 1.930 213 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 213 A C 1.989 179.750 177.584 0.295 0.000 1.175 213 A CA 1.680 53.810 52.037 0.155 0.000 0.627 213 A CB -0.557 18.496 19.000 0.087 0.000 0.815 213 A HN 0.497 nan 8.150 nan 0.000 0.443 214 E N 0.262 120.606 120.200 0.240 0.000 2.012 214 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 214 E C 1.910 178.512 176.600 0.003 0.000 1.007 214 E CA 1.726 58.146 56.400 0.033 0.000 0.816 214 E CB -0.398 29.265 29.700 -0.062 0.000 0.762 214 E HN 0.655 nan 8.360 nan 0.000 0.451 215 E N 0.841 121.048 120.200 0.012 0.000 2.108 215 E HA -0.249 4.101 4.350 -0.000 0.000 0.203 215 E C 2.005 178.631 176.600 0.043 0.000 1.022 215 E CA 1.815 58.225 56.400 0.017 0.000 0.823 215 E CB -0.192 29.519 29.700 0.019 0.000 0.744 215 E HN 0.352 nan 8.360 nan 0.000 0.456 216 E N -0.061 120.175 120.200 0.060 0.000 2.110 216 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 216 E C 2.065 178.729 176.600 0.106 0.000 0.988 216 E CA 0.917 57.362 56.400 0.074 0.000 0.804 216 E CB -0.171 29.565 29.700 0.060 0.000 0.745 216 E HN 0.316 nan 8.360 nan 0.000 0.458 217 A N 1.613 124.495 122.820 0.105 0.000 1.898 217 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 217 A C 2.397 180.065 177.584 0.140 0.000 1.181 217 A CA 1.415 53.526 52.037 0.123 0.000 0.620 217 A CB -0.594 18.449 19.000 0.071 0.000 0.819 217 A HN 0.280 nan 8.150 nan 0.000 0.442 218 A N 0.320 123.176 122.820 0.060 0.000 1.859 218 A HA -0.001 4.318 4.320 -0.000 0.000 0.218 218 A C 2.576 180.210 177.584 0.083 0.000 1.209 218 A CA 2.859 54.923 52.037 0.045 0.000 0.639 218 A CB -1.410 17.600 19.000 0.016 0.000 0.835 218 A HN 1.256 nan 8.150 nan 0.000 0.450 219 A N -1.747 121.126 122.820 0.089 0.000 1.927 219 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 219 A C 2.195 179.867 177.584 0.147 0.000 1.185 219 A CA 2.099 54.192 52.037 0.094 0.000 0.639 219 A CB -0.952 18.103 19.000 0.092 0.000 0.820 219 A HN 0.914 nan 8.150 nan 0.000 0.451 220 Y N 0.084 120.429 120.300 0.076 0.000 2.163 220 Y HA -0.158 4.392 4.550 -0.001 0.000 0.288 220 Y C 2.048 178.030 175.900 0.137 0.000 1.136 220 Y CA 1.682 59.864 58.100 0.136 0.000 1.147 220 Y CB -0.261 38.259 38.460 0.100 0.000 0.987 220 Y HN 0.266 nan 8.280 nan 0.000 0.509 221 I N 0.842 121.541 120.570 0.215 0.000 2.118 221 I HA -0.416 3.753 4.170 -0.000 0.000 0.241 221 I C 2.608 178.698 176.117 -0.046 0.000 1.070 221 I CA 2.189 63.539 61.300 0.084 0.000 1.327 221 I CB -0.532 37.526 38.000 0.097 0.000 1.034 221 I HN 0.256 nan 8.210 nan 0.000 0.405 222 K N 1.250 121.633 120.400 -0.029 0.000 2.034 222 K HA -0.317 4.003 4.320 -0.000 0.000 0.214 222 K C 2.017 178.532 176.600 -0.141 0.000 1.051 222 K CA 2.510 58.760 56.287 -0.062 0.000 0.931 222 K CB -0.290 32.188 32.500 -0.037 0.000 0.715 222 K HN 0.351 nan 8.250 nan 0.000 0.446 223 E N -1.441 118.634 120.200 -0.209 0.000 2.371 223 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 223 E C 0.826 176.953 176.600 -0.788 0.000 1.012 223 E CA 0.626 56.766 56.400 -0.433 0.000 0.860 223 E CB 0.309 29.756 29.700 -0.421 0.000 0.811 223 E HN 0.529 nan 8.360 nan 0.000 0.502 224 H N -1.431 117.395 119.070 -0.407 0.000 3.540 224 H HA 0.217 4.773 4.556 -0.000 0.000 0.259 224 H C -0.579 174.570 175.328 -0.298 0.000 1.197 224 H CA -0.028 55.757 56.048 -0.438 0.000 1.136 224 H CB 1.196 30.489 29.762 -0.782 0.000 1.605 224 H HN -0.060 nan 8.280 nan 0.000 0.657 225 V N 2.886 122.721 119.914 -0.132 0.000 2.370 225 V HA 0.101 4.221 4.120 -0.000 0.000 0.279 225 V C 1.492 177.578 176.094 -0.015 0.000 1.029 225 V CA 0.234 62.534 62.300 0.000 0.000 0.870 225 V CB 1.711 33.580 31.823 0.077 0.000 0.984 225 V HN 0.438 nan 8.190 nan 0.000 0.451 226 T N 2.040 116.597 114.554 0.006 0.000 3.046 226 T HA 0.161 4.511 4.350 -0.000 0.000 0.242 226 T C 0.799 175.501 174.700 0.003 0.000 1.018 226 T CA 0.001 62.098 62.100 -0.005 0.000 1.131 226 T CB 0.042 68.909 68.868 -0.001 0.000 0.904 226 T HN 0.503 nan 8.240 nan 0.000 0.459 227 K N 3.153 123.563 120.400 0.018 0.000 2.455 227 K HA 0.196 4.516 4.320 -0.000 0.000 0.269 227 K C -2.392 174.203 176.600 -0.009 0.000 0.972 227 K CA -1.185 55.106 56.287 0.006 0.000 0.938 227 K CB -0.228 32.280 32.500 0.013 0.000 0.931 227 K HN 0.335 nan 8.250 nan 0.000 0.507 228 P HA 0.043 nan 4.420 nan 0.000 0.271 228 P C -0.789 176.482 177.300 -0.050 0.000 1.216 228 P CA -0.122 62.955 63.100 -0.037 0.000 0.771 228 P CB 0.754 32.425 31.700 -0.048 0.000 0.864 229 V N 4.709 124.600 119.914 -0.038 0.000 2.444 229 V HA 0.209 4.329 4.120 -0.000 0.000 0.294 229 V C 0.183 176.253 176.094 -0.039 0.000 1.022 229 V CA -0.697 61.578 62.300 -0.042 0.000 0.850 229 V CB 2.134 33.944 31.823 -0.022 0.000 0.992 229 V HN 0.283 nan 8.190 nan 0.000 0.426 230 V N 4.433 124.316 119.914 -0.052 0.000 2.357 230 V HA 0.798 4.918 4.120 -0.000 0.000 0.284 230 V C 0.662 176.749 176.094 -0.012 0.000 1.018 230 V CA -0.181 62.102 62.300 -0.029 0.000 0.841 230 V CB 1.546 33.338 31.823 -0.053 0.000 0.991 230 V HN 0.928 nan 8.190 nan 0.000 0.437 231 G N 3.123 111.937 108.800 0.024 0.000 2.453 231 G HA2 0.635 4.595 3.960 -0.000 0.000 0.323 231 G HA3 0.635 4.595 3.960 -0.000 0.000 0.323 231 G C -2.033 172.961 174.900 0.157 0.000 1.198 231 G CA -0.540 44.574 45.100 0.022 0.000 0.959 231 G HN 0.539 nan 8.290 nan 0.000 0.482 232 Y N 1.517 121.793 120.300 -0.039 0.000 2.421 232 Y HA 0.631 5.181 4.550 -0.000 0.000 0.339 232 Y C -1.383 174.401 175.900 -0.195 0.000 0.996 232 Y CA -1.824 56.279 58.100 0.005 0.000 1.046 232 Y CB 1.670 40.160 38.460 0.049 0.000 1.226 232 Y HN 0.332 nan 8.280 nan 0.000 0.445 233 I N 5.762 125.608 120.570 -1.205 0.000 2.389 233 I HA 0.565 4.735 4.170 -0.000 0.000 0.288 233 I C 0.014 175.465 176.117 -1.110 0.000 0.999 233 I CA -0.914 59.697 61.300 -1.147 0.000 1.129 233 I CB 0.839 38.002 38.000 -1.395 0.000 1.288 233 I HN 0.809 nan 8.210 nan 0.000 0.444 234 A N 3.956 126.339 122.820 -0.728 0.000 2.304 234 A HA 0.727 5.047 4.320 -0.000 0.000 0.301 234 A C 0.814 178.293 177.584 -0.176 0.000 1.132 234 A CA 0.328 52.141 52.037 -0.372 0.000 0.819 234 A CB 0.771 19.688 19.000 -0.138 0.000 1.094 234 A HN 1.339 nan 8.150 nan 0.000 0.492 235 G N 0.693 109.456 108.800 -0.061 0.000 2.155 235 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.135 235 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.135 235 G C 0.451 175.353 174.900 0.004 0.000 1.023 235 G CA 0.113 45.195 45.100 -0.030 0.000 0.688 235 G HN 1.058 nan 8.290 nan 0.000 0.499 236 V N 0.992 120.936 119.914 0.050 0.000 2.358 236 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 236 V C 2.904 179.027 176.094 0.049 0.000 1.047 236 V CA 2.908 65.254 62.300 0.078 0.000 1.035 236 V CB -0.608 31.292 31.823 0.129 0.000 0.658 236 V HN 0.914 nan 8.190 nan 0.000 0.452 237 T N -1.304 113.277 114.554 0.044 0.000 3.194 237 T HA 0.322 4.672 4.350 -0.000 0.000 0.251 237 T C 0.691 175.401 174.700 0.017 0.000 1.132 237 T CA 0.503 62.621 62.100 0.030 0.000 1.028 237 T CB -0.363 68.524 68.868 0.032 0.000 0.976 237 T HN 0.426 nan 8.240 nan 0.000 0.535 238 A N 3.617 126.444 122.820 0.012 0.000 2.440 238 A HA 0.559 4.879 4.320 -0.000 0.000 0.251 238 A C -1.498 176.087 177.584 0.002 0.000 1.089 238 A CA -1.450 50.588 52.037 0.001 0.000 0.779 238 A CB 0.001 18.997 19.000 -0.008 0.000 1.022 238 A HN 0.441 nan 8.150 nan 0.000 0.492 239 P HA 0.218 nan 4.420 nan 0.000 0.274 239 P C -0.720 176.579 177.300 -0.002 0.000 1.237 239 P CA -0.259 62.841 63.100 0.000 0.000 0.793 239 P CB 0.696 32.395 31.700 -0.001 0.000 0.977 240 K N 0.042 120.441 120.400 -0.000 0.000 2.174 240 K HA 0.406 4.726 4.320 -0.000 0.000 0.275 240 K C 0.815 177.413 176.600 -0.003 0.000 1.015 240 K CA 0.202 56.488 56.287 -0.001 0.000 0.933 240 K CB 0.273 32.773 32.500 0.000 0.000 1.025 240 K HN 0.818 nan 8.250 nan 0.000 0.463 241 G N 2.666 111.463 108.800 -0.004 0.000 2.295 241 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.287 241 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.287 241 G C -0.559 174.338 174.900 -0.005 0.000 1.055 241 G CA 0.197 45.294 45.100 -0.004 0.000 0.922 241 G HN 0.481 nan 8.290 nan 0.000 0.503 242 K N -0.528 119.868 120.400 -0.006 0.000 2.535 242 K HA 0.323 4.642 4.320 -0.000 0.000 0.250 242 K C 0.200 176.794 176.600 -0.009 0.000 0.948 242 K CA -1.032 55.250 56.287 -0.008 0.000 0.796 242 K CB 2.106 34.601 32.500 -0.008 0.000 1.216 242 K HN 0.265 nan 8.250 nan 0.000 0.432 243 R N 3.285 123.780 120.500 -0.008 0.000 2.484 243 R HA 0.075 4.415 4.340 -0.000 0.000 0.293 243 R C -0.183 176.107 176.300 -0.017 0.000 1.023 243 R CA 0.188 56.284 56.100 -0.007 0.000 1.037 243 R CB 0.435 30.733 30.300 -0.003 0.000 0.951 243 R HN 0.423 nan 8.270 nan 0.000 0.418 244 M N 5.393 124.978 119.600 -0.026 0.000 3.266 244 M HA 0.165 4.645 4.480 -0.000 0.000 0.260 244 M C 1.024 177.269 176.300 -0.091 0.000 1.319 244 M CA 0.121 55.389 55.300 -0.053 0.000 1.412 244 M CB -0.030 32.533 32.600 -0.061 0.000 1.113 244 M HN 1.035 nan 8.290 nan 0.000 0.588 245 G N 1.344 110.106 108.800 -0.063 0.000 5.452 245 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.310 245 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.310 245 G C 0.206 175.104 174.900 -0.004 0.000 1.392 245 G CA 0.016 45.073 45.100 -0.073 0.000 0.942 245 G HN 0.684 nan 8.290 nan 0.000 0.776 246 H N 1.839 120.893 119.070 -0.026 0.000 2.964 246 H HA 0.388 4.944 4.556 -0.000 0.000 0.328 246 H C 1.751 177.059 175.328 -0.033 0.000 1.030 246 H CA 0.043 56.072 56.048 -0.033 0.000 1.445 246 H CB 1.272 31.010 29.762 -0.039 0.000 1.449 246 H HN 0.680 nan 8.280 nan 0.000 0.581 247 A N 3.635 126.512 122.820 0.096 0.000 1.908 247 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 247 A C 2.481 180.077 177.584 0.021 0.000 1.181 247 A CA 1.741 53.796 52.037 0.030 0.000 0.627 247 A CB -0.885 18.113 19.000 -0.003 0.000 0.818 247 A HN 0.877 nan 8.150 nan 0.000 0.445 248 G N -1.174 107.638 108.800 0.019 0.000 2.744 248 G HA2 0.302 4.262 3.960 -0.000 0.000 0.211 248 G HA3 0.302 4.262 3.960 -0.000 0.000 0.211 248 G C 0.737 175.652 174.900 0.025 0.000 1.143 248 G CA 0.628 45.728 45.100 0.001 0.000 0.788 248 G HN 0.865 nan 8.290 nan 0.000 0.534 249 A N 0.685 123.544 122.820 0.065 0.000 2.990 249 A HA 0.634 4.954 4.320 -0.000 0.000 0.282 249 A C -0.339 177.250 177.584 0.009 0.000 1.688 249 A CA -0.270 51.792 52.037 0.042 0.000 1.391 249 A CB -0.586 18.441 19.000 0.044 0.000 1.112 249 A HN 0.514 nan 8.150 nan 0.000 0.588 250 I N 0.989 121.561 120.570 0.002 0.000 2.680 250 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 250 I C -1.357 174.756 176.117 -0.006 0.000 1.244 250 I CA -1.080 60.218 61.300 -0.004 0.000 1.042 250 I CB 1.604 39.602 38.000 -0.004 0.000 1.277 250 I HN 0.280 nan 8.210 nan 0.000 0.423 251 I N 7.631 128.197 120.570 -0.007 0.000 2.347 251 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 251 I C 0.436 176.550 176.117 -0.005 0.000 1.090 251 I CA 0.130 61.426 61.300 -0.006 0.000 1.314 251 I CB 0.926 38.922 38.000 -0.005 0.000 1.423 251 I HN 0.638 nan 8.210 nan 0.000 0.503 252 A N 4.959 127.775 122.820 -0.005 0.000 2.287 252 A HA 0.641 4.960 4.320 -0.000 0.000 0.317 252 A C 0.851 178.433 177.584 -0.004 0.000 1.220 252 A CA -0.040 51.994 52.037 -0.005 0.000 0.835 252 A CB 0.849 19.845 19.000 -0.007 0.000 1.180 252 A HN 1.031 nan 8.150 nan 0.000 0.500 253 G N 1.469 110.267 108.800 -0.003 0.000 2.221 253 G HA2 0.152 4.111 3.960 -0.000 0.000 0.265 253 G HA3 0.152 4.111 3.960 -0.000 0.000 0.265 253 G C 1.522 176.421 174.900 -0.001 0.000 1.041 253 G CA 1.023 46.122 45.100 -0.002 0.000 0.807 253 G HN 2.755 nan 8.290 nan 0.000 0.502 254 G N -1.725 107.074 108.800 -0.000 0.000 2.166 254 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 254 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 254 G C 0.503 175.404 174.900 0.001 0.000 0.986 254 G CA 1.348 46.448 45.100 0.001 0.000 0.683 254 G HN 0.950 nan 8.290 nan 0.000 0.527 255 K N -0.135 120.265 120.400 -0.000 0.000 2.118 255 K HA 0.662 4.982 4.320 -0.000 0.000 0.254 255 K C 0.990 177.588 176.600 -0.003 0.000 0.961 255 K CA -0.147 56.140 56.287 -0.001 0.000 0.876 255 K CB 1.143 33.642 32.500 -0.001 0.000 1.077 255 K HN 1.339 nan 8.250 nan 0.000 0.440 256 G N 1.337 110.135 108.800 -0.004 0.000 2.248 256 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.263 256 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.263 256 G C 0.095 174.985 174.900 -0.016 0.000 1.082 256 G CA 0.488 45.582 45.100 -0.010 0.000 0.863 256 G HN 0.690 nan 8.290 nan 0.000 0.495 257 T N -2.758 111.790 114.554 -0.010 0.000 2.913 257 T HA 0.742 5.091 4.350 -0.000 0.000 0.287 257 T C 1.795 176.482 174.700 -0.022 0.000 1.008 257 T CA 0.347 62.442 62.100 -0.008 0.000 1.067 257 T CB 1.927 70.801 68.868 0.009 0.000 0.996 257 T HN 1.453 nan 8.240 nan 0.000 0.513 258 A N 1.689 124.494 122.820 -0.026 0.000 1.903 258 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 258 A C 2.057 179.652 177.584 0.018 0.000 1.191 258 A CA 1.951 53.948 52.037 -0.067 0.000 0.638 258 A CB -0.955 18.040 19.000 -0.008 0.000 0.823 258 A HN 0.933 nan 8.150 nan 0.000 0.451 259 D N -0.524 119.957 120.400 0.134 0.000 2.097 259 D HA -0.123 4.516 4.640 -0.000 0.000 0.197 259 D C 1.945 178.327 176.300 0.137 0.000 0.984 259 D CA 1.529 55.655 54.000 0.210 0.000 0.826 259 D CB -0.441 40.439 40.800 0.132 0.000 0.973 259 D HN 0.684 nan 8.370 nan 0.000 0.460 260 E N 0.879 121.116 120.200 0.062 0.000 2.118 260 E HA -0.174 4.175 4.350 -0.000 0.000 0.195 260 E C 2.024 178.640 176.600 0.027 0.000 0.992 260 E CA 0.859 57.284 56.400 0.041 0.000 0.804 260 E CB 0.011 29.722 29.700 0.019 0.000 0.741 260 E HN 0.262 nan 8.360 nan 0.000 0.458 261 K N 0.061 120.448 120.400 -0.022 0.000 2.057 261 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 261 K C 1.883 178.435 176.600 -0.081 0.000 1.050 261 K CA 1.079 57.308 56.287 -0.095 0.000 0.935 261 K CB -0.164 32.212 32.500 -0.205 0.000 0.715 261 K HN 0.010 nan 8.250 nan 0.000 0.439 262 F N 1.326 121.249 119.950 -0.044 0.000 2.051 262 F HA -0.210 4.316 4.527 -0.000 0.000 0.296 262 F C 2.562 178.348 175.800 -0.024 0.000 1.122 262 F CA 1.348 59.326 58.000 -0.037 0.000 1.201 262 F CB -1.046 37.937 39.000 -0.027 0.000 0.978 262 F HN 0.024 nan 8.300 nan 0.000 0.472 263 A N 0.113 123.058 122.820 0.208 0.000 1.896 263 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 263 A C 2.359 179.985 177.584 0.070 0.000 1.206 263 A CA 2.762 54.862 52.037 0.105 0.000 0.647 263 A CB -1.556 17.489 19.000 0.074 0.000 0.828 263 A HN 0.387 nan 8.150 nan 0.000 0.455 264 A N -1.286 121.565 122.820 0.051 0.000 2.066 264 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 264 A C 2.088 179.686 177.584 0.023 0.000 1.157 264 A CA 1.193 53.248 52.037 0.029 0.000 0.670 264 A CB -0.415 18.595 19.000 0.016 0.000 0.804 264 A HN 0.490 nan 8.150 nan 0.000 0.453 265 L N -0.924 120.315 121.223 0.027 0.000 2.179 265 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 265 L C 2.432 179.324 176.870 0.036 0.000 1.096 265 L CA 1.042 55.891 54.840 0.014 0.000 0.779 265 L CB -0.359 41.700 42.059 0.000 0.000 0.922 265 L HN 0.470 nan 8.230 nan 0.000 0.443 266 E N 0.326 120.562 120.200 0.060 0.000 2.072 266 E HA -0.172 4.177 4.350 -0.000 0.000 0.190 266 E C 2.323 178.939 176.600 0.027 0.000 0.982 266 E CA 1.035 57.464 56.400 0.048 0.000 0.803 266 E CB -0.162 29.570 29.700 0.054 0.000 0.755 266 E HN 0.456 nan 8.360 nan 0.000 0.453 267 A N 1.640 124.475 122.820 0.025 0.000 1.940 267 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 267 A C 2.295 179.884 177.584 0.009 0.000 1.176 267 A CA 1.702 53.748 52.037 0.015 0.000 0.631 267 A CB -0.528 18.482 19.000 0.016 0.000 0.814 267 A HN 0.273 nan 8.150 nan 0.000 0.446 268 A N -1.226 121.600 122.820 0.010 0.000 2.259 268 A HA 0.434 4.754 4.320 -0.000 0.000 0.208 268 A C 1.448 179.031 177.584 -0.001 0.000 1.201 268 A CA 0.925 52.963 52.037 0.003 0.000 0.824 268 A CB -1.272 17.733 19.000 0.009 0.000 0.838 268 A HN 2.004 nan 8.150 nan 0.000 0.485 269 G N -0.582 108.220 108.800 0.004 0.000 2.422 269 G HA2 -0.064 3.895 3.960 -0.000 0.000 0.290 269 G HA3 -0.064 3.895 3.960 -0.000 0.000 0.290 269 G C -0.327 174.574 174.900 0.003 0.000 1.059 269 G CA 0.241 45.342 45.100 0.002 0.000 1.242 269 G HN 0.860 nan 8.290 nan 0.000 0.520 270 V N 2.108 122.029 119.914 0.012 0.000 2.680 270 V HA 0.527 4.646 4.120 -0.000 0.000 0.309 270 V C 0.490 176.599 176.094 0.024 0.000 1.052 270 V CA -1.426 60.880 62.300 0.010 0.000 0.908 270 V CB 2.066 33.892 31.823 0.006 0.000 1.001 270 V HN 0.357 nan 8.190 nan 0.000 0.431 271 K N 3.938 124.347 120.400 0.016 0.000 2.167 271 K HA 0.179 4.499 4.320 -0.000 0.000 0.275 271 K C 0.349 176.984 176.600 0.059 0.000 1.103 271 K CA 0.039 56.340 56.287 0.023 0.000 0.963 271 K CB 0.263 32.764 32.500 0.001 0.000 1.243 271 K HN 0.990 nan 8.250 nan 0.000 0.407 272 T N -0.864 113.746 114.554 0.094 0.000 2.910 272 T HA 0.396 4.745 4.350 -0.000 0.000 0.293 272 T C 0.218 175.004 174.700 0.143 0.000 1.015 272 T CA -0.765 61.452 62.100 0.196 0.000 1.094 272 T CB 1.441 70.486 68.868 0.295 0.000 0.968 272 T HN 0.047 nan 8.240 nan 0.000 0.521 273 V N 3.794 123.861 119.914 0.254 0.000 2.531 273 V HA 0.420 4.540 4.120 -0.000 0.000 0.301 273 V C 0.930 177.161 176.094 0.228 0.000 1.034 273 V CA -0.952 61.439 62.300 0.152 0.000 0.865 273 V CB 1.836 33.721 31.823 0.104 0.000 0.995 273 V HN 0.831 nan 8.190 nan 0.000 0.424 274 R N 1.544 122.061 120.500 0.028 0.000 2.240 274 R HA 0.152 4.492 4.340 -0.000 0.000 0.203 274 R C 0.810 177.189 176.300 0.131 0.000 1.011 274 R CA 0.355 56.466 56.100 0.019 0.000 1.007 274 R CB 0.455 30.671 30.300 -0.140 0.000 0.911 274 R HN 0.595 nan 8.270 nan 0.000 0.468 275 S N 0.572 116.271 115.700 -0.001 0.000 2.552 275 S HA 0.219 4.689 4.470 -0.000 0.000 0.314 275 S C 0.972 175.375 174.600 -0.328 0.000 1.099 275 S CA -0.741 57.396 58.200 -0.105 0.000 1.070 275 S CB 1.025 64.186 63.200 -0.064 0.000 0.998 275 S HN 0.260 nan 8.310 nan 0.000 0.474 276 L N 3.678 124.535 121.223 -0.610 0.000 2.633 276 L HA 0.301 4.641 4.340 -0.000 0.000 0.235 276 L C 1.868 178.555 176.870 -0.306 0.000 1.163 276 L CA 1.272 55.688 54.840 -0.708 0.000 0.859 276 L CB -0.534 41.086 42.059 -0.731 0.000 0.973 276 L HN 0.641 nan 8.230 nan 0.000 0.451 277 A N 0.547 123.248 122.820 -0.198 0.000 1.929 277 A HA -0.090 4.229 4.320 -0.000 0.000 0.216 277 A C 1.317 178.841 177.584 -0.101 0.000 1.176 277 A CA 1.245 53.217 52.037 -0.109 0.000 0.628 277 A CB -0.332 18.632 19.000 -0.061 0.000 0.816 277 A HN 0.576 nan 8.150 nan 0.000 0.444 278 D N -0.155 120.181 120.400 -0.107 0.000 2.881 278 D HA 0.242 4.882 4.640 -0.000 0.000 0.240 278 D C 0.978 177.208 176.300 -0.116 0.000 1.249 278 D CA -0.066 53.885 54.000 -0.083 0.000 0.839 278 D CB 0.126 40.902 40.800 -0.040 0.000 1.042 278 D HN 0.465 nan 8.370 nan 0.000 0.475 279 I N 0.609 121.083 120.570 -0.160 0.000 2.277 279 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 279 I C 2.546 178.536 176.117 -0.211 0.000 1.094 279 I CA 0.869 62.078 61.300 -0.151 0.000 1.393 279 I CB -0.066 37.853 38.000 -0.135 0.000 1.078 279 I HN 0.135 nan 8.210 nan 0.000 0.417 280 G N 0.383 108.967 108.800 -0.360 0.000 2.459 280 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 280 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 280 G C 1.503 176.135 174.900 -0.446 0.000 1.183 280 G CA 0.531 45.228 45.100 -0.671 0.000 0.776 280 G HN 0.233 nan 8.290 nan 0.000 0.552 281 E N 0.829 120.872 120.200 -0.262 0.000 2.086 281 E HA -0.210 4.140 4.350 -0.000 0.000 0.200 281 E C 2.884 179.536 176.600 0.086 0.000 1.012 281 E CA 1.349 57.824 56.400 0.124 0.000 0.812 281 E CB -0.600 29.165 29.700 0.108 0.000 0.743 281 E HN 0.378 nan 8.360 nan 0.000 0.453 282 A N 0.433 123.248 122.820 -0.008 0.000 2.067 282 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 282 A C 2.286 179.843 177.584 -0.044 0.000 1.158 282 A CA 0.625 52.654 52.037 -0.014 0.000 0.661 282 A CB -0.368 18.615 19.000 -0.028 0.000 0.801 282 A HN 0.182 nan 8.150 nan 0.000 0.452 283 L N -1.265 119.896 121.223 -0.103 0.000 2.313 283 L HA -0.039 4.301 4.340 -0.000 0.000 0.214 283 L C 2.388 179.174 176.870 -0.139 0.000 1.119 283 L CA 0.866 55.550 54.840 -0.259 0.000 0.809 283 L CB -0.279 41.424 42.059 -0.594 0.000 0.933 283 L HN 0.368 nan 8.230 nan 0.000 0.449 284 K N -0.149 120.349 120.400 0.163 0.000 2.211 284 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 284 K C 1.101 177.792 176.600 0.152 0.000 1.050 284 K CA 1.062 57.545 56.287 0.328 0.000 0.945 284 K CB 0.090 32.807 32.500 0.363 0.000 0.732 284 K HN 0.178 nan 8.250 nan 0.000 0.451 285 T N 1.409 116.010 114.554 0.077 0.000 3.473 285 T HA 0.110 4.460 4.350 -0.000 0.000 0.247 285 T C -0.396 174.311 174.700 0.013 0.000 1.010 285 T CA 0.126 62.251 62.100 0.042 0.000 0.940 285 T CB -0.688 68.195 68.868 0.026 0.000 1.068 285 T HN 0.108 nan 8.240 nan 0.000 0.604 286 V N 0.000 119.919 119.914 0.009 0.000 2.409 286 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 286 V CA 0.000 62.289 62.300 -0.019 0.000 1.235 286 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 286 V HN 0.000 nan 8.190 nan 0.000 0.556