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 2nu7_1_D DATA FIRST_RESID 1 DATA SEQUENCE SILIDKNTKV ICQGFTGSQG TFHSEQAIAY GTKMVGGVTP GKGGTTHLGL DATA SEQUENCE PVFNTVREAV AATGATASVI YVPAPFCKDS ILEAIDAGIK LIITITEGIP DATA SEQUENCE TLDMLTVKVK LDEAGVRMIG PNSPGVITPG ECKIGIQPGH IHKPGKVGIV DATA SEQUENCE SRSGTLTYEA VKQTTDYGFG QSTCVGIGGD PIPGSNFIDI LEMFEKDPQT DATA SEQUENCE EAIVMIGEIG GSAEEEAAAY IKEHVTKPVV GYIAGVTAPK GKRMGHAGAI DATA SEQUENCE IAGGKGTADE KFAALEAAGV KTVRSLADIG EALKTVL 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 0.000 174.668 174.600 0.113 0.000 1.055 1 S CA 0.000 58.283 58.200 0.139 0.000 1.107 1 S CB 0.000 63.261 63.200 0.101 0.000 0.593 2 I N -0.904 119.722 120.570 0.095 0.000 3.042 2 I HA 0.690 4.860 4.170 -0.000 0.000 0.310 2 I C 0.904 177.003 176.117 -0.029 0.000 1.117 2 I CA -1.496 59.800 61.300 -0.005 0.000 1.003 2 I CB 1.330 39.246 38.000 -0.140 0.000 1.228 2 I HN 0.904 nan 8.210 nan 0.000 0.443 3 L N 0.753 121.941 121.223 -0.058 0.000 3.363 3 L HA -0.295 4.044 4.340 -0.000 0.000 0.346 3 L C 0.281 177.133 176.870 -0.030 0.000 3.762 3 L CA 2.254 57.060 54.840 -0.057 0.000 1.796 3 L CB -1.352 40.661 42.059 -0.076 0.000 3.000 3 L HN 0.840 nan 8.230 nan 0.000 0.779 4 I N -2.540 118.023 120.570 -0.012 0.000 3.074 4 I HA 0.817 4.987 4.170 -0.000 0.000 0.310 4 I C -1.150 174.979 176.117 0.021 0.000 1.153 4 I CA -0.574 60.726 61.300 -0.000 0.000 0.993 4 I CB 2.271 40.268 38.000 -0.005 0.000 1.237 4 I HN 0.249 nan 8.210 nan 0.000 0.443 5 D N 1.339 121.754 120.400 0.026 0.000 2.838 5 D HA 0.207 4.846 4.640 -0.000 0.000 0.334 5 D C 0.162 176.487 176.300 0.042 0.000 1.315 5 D CA -0.614 53.410 54.000 0.040 0.000 0.917 5 D CB 0.716 41.537 40.800 0.035 0.000 1.435 5 D HN 0.691 nan 8.370 nan 0.000 0.517 6 K N -0.606 119.821 120.400 0.045 0.000 2.211 6 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 6 K C 0.679 177.297 176.600 0.031 0.000 1.047 6 K CA 1.228 57.541 56.287 0.042 0.000 0.935 6 K CB -0.482 32.038 32.500 0.033 0.000 0.728 6 K HN 0.210 nan 8.250 nan 0.000 0.452 7 N N 0.772 119.486 118.700 0.023 0.000 2.422 7 N HA -0.021 4.718 4.740 -0.000 0.000 0.181 7 N C -0.210 175.306 175.510 0.011 0.000 1.080 7 N CA 0.494 53.553 53.050 0.015 0.000 0.893 7 N CB 0.140 38.633 38.487 0.011 0.000 0.973 7 N HN 0.146 nan 8.380 nan 0.000 0.456 8 T N 2.212 116.773 114.554 0.012 0.000 2.792 8 T HA 0.020 4.370 4.350 -0.000 0.000 0.286 8 T C 0.513 175.216 174.700 0.004 0.000 0.970 8 T CA 0.492 62.594 62.100 0.004 0.000 1.187 8 T CB 0.364 69.234 68.868 0.004 0.000 0.915 8 T HN -0.019 nan 8.240 nan 0.000 0.529 9 K N 2.766 123.163 120.400 -0.005 0.000 2.227 9 K HA 0.504 4.824 4.320 -0.000 0.000 0.280 9 K C -0.648 175.941 176.600 -0.017 0.000 1.041 9 K CA -0.487 55.796 56.287 -0.008 0.000 0.905 9 K CB 1.035 33.526 32.500 -0.014 0.000 1.068 9 K HN 0.318 nan 8.250 nan 0.000 0.470 10 V N 5.242 125.147 119.914 -0.015 0.000 2.604 10 V HA 0.505 4.625 4.120 -0.000 0.000 0.305 10 V C -0.129 175.937 176.094 -0.047 0.000 1.043 10 V CA -0.996 61.291 62.300 -0.022 0.000 0.888 10 V CB 1.258 33.081 31.823 0.000 0.000 0.995 10 V HN 0.668 nan 8.190 nan 0.000 0.429 11 I N 0.927 121.462 120.570 -0.059 0.000 2.910 11 I HA 0.828 4.997 4.170 -0.000 0.000 0.310 11 I C -0.490 175.580 176.117 -0.078 0.000 1.043 11 I CA -0.562 60.675 61.300 -0.105 0.000 1.053 11 I CB 2.038 39.989 38.000 -0.083 0.000 1.242 11 I HN 0.673 nan 8.210 nan 0.000 0.452 12 C N 3.616 122.830 119.300 -0.144 0.000 2.340 12 C HA 0.469 4.929 4.460 -0.000 0.000 0.323 12 C C -0.243 174.820 174.990 0.122 0.000 1.260 12 C CA -0.153 58.893 59.018 0.047 0.000 1.464 12 C CB 1.009 28.858 27.740 0.182 0.000 2.156 12 C HN 0.899 nan 8.230 nan 0.000 0.476 13 Q N 3.011 122.905 119.800 0.156 0.000 2.274 13 Q HA 0.486 4.825 4.340 -0.000 0.000 0.256 13 Q C 0.959 177.108 176.000 0.249 0.000 0.927 13 Q CA 0.693 56.594 55.803 0.163 0.000 0.939 13 Q CB 1.492 30.289 28.738 0.098 0.000 1.201 13 Q HN 1.280 nan 8.270 nan 0.000 0.426 14 G N 2.119 111.063 108.800 0.240 0.000 2.132 14 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.228 14 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.228 14 G C 0.217 175.291 174.900 0.289 0.000 1.000 14 G CA 0.087 45.329 45.100 0.237 0.000 0.693 14 G HN 0.706 nan 8.290 nan 0.000 0.515 15 F N 2.355 122.377 119.950 0.120 0.000 2.115 15 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 15 F C 2.659 178.478 175.800 0.032 0.000 1.092 15 F CA 2.911 60.983 58.000 0.119 0.000 1.245 15 F CB -0.463 38.616 39.000 0.131 0.000 0.995 15 F HN 0.425 nan 8.300 nan 0.000 0.481 16 T N -2.042 112.395 114.554 -0.196 0.000 3.129 16 T HA 0.350 4.700 4.350 -0.000 0.000 0.251 16 T C 1.156 175.711 174.700 -0.242 0.000 1.117 16 T CA 0.204 61.948 62.100 -0.593 0.000 1.034 16 T CB -0.908 67.641 68.868 -0.532 0.000 0.968 16 T HN 0.305 nan 8.240 nan 0.000 0.526 17 G N 0.646 109.407 108.800 -0.064 0.000 2.580 17 G HA2 0.413 4.373 3.960 -0.000 0.000 0.278 17 G HA3 0.413 4.373 3.960 -0.000 0.000 0.278 17 G C 0.844 175.749 174.900 0.008 0.000 1.212 17 G CA -0.319 44.780 45.100 -0.003 0.000 0.939 17 G HN 0.183 nan 8.290 nan 0.000 0.513 18 S N -0.154 115.561 115.700 0.025 0.000 2.365 18 S HA -0.176 4.294 4.470 -0.000 0.000 0.221 18 S C 2.465 177.087 174.600 0.038 0.000 1.037 18 S CA 1.485 59.702 58.200 0.029 0.000 1.060 18 S CB -0.252 62.962 63.200 0.023 0.000 0.974 18 S HN 0.585 nan 8.310 nan 0.000 0.427 19 Q N 0.462 120.290 119.800 0.047 0.000 2.123 19 Q HA 0.043 4.383 4.340 -0.000 0.000 0.199 19 Q C 2.465 178.316 176.000 -0.248 0.000 0.966 19 Q CA 1.375 57.208 55.803 0.050 0.000 0.845 19 Q CB -1.141 27.702 28.738 0.176 0.000 0.907 19 Q HN 0.609 nan 8.270 nan 0.000 0.439 20 G N 0.288 108.935 108.800 -0.255 0.000 2.418 20 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 20 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 20 G C 1.491 176.335 174.900 -0.093 0.000 1.158 20 G CA 1.420 46.340 45.100 -0.300 0.000 0.771 20 G HN 0.323 nan 8.290 nan 0.000 0.545 21 T N 0.698 115.235 114.554 -0.029 0.000 2.614 21 T HA -0.109 4.241 4.350 -0.000 0.000 0.263 21 T C 1.925 176.571 174.700 -0.090 0.000 1.055 21 T CA 1.195 63.282 62.100 -0.022 0.000 1.162 21 T CB -0.389 68.519 68.868 0.067 0.000 0.863 21 T HN 0.203 nan 8.240 nan 0.000 0.414 22 F N 1.901 121.734 119.950 -0.194 0.000 2.065 22 F HA -0.261 4.265 4.527 -0.001 0.000 0.298 22 F C 2.540 178.141 175.800 -0.332 0.000 1.112 22 F CA 1.774 59.607 58.000 -0.278 0.000 1.212 22 F CB -0.419 38.361 39.000 -0.366 0.000 0.975 22 F HN 0.318 nan 8.300 nan 0.000 0.476 23 H N -1.211 117.788 119.070 -0.120 0.000 2.495 23 H HA -0.006 4.550 4.556 -0.000 0.000 0.287 23 H C 2.453 177.716 175.328 -0.109 0.000 1.033 23 H CA 1.200 57.158 56.048 -0.149 0.000 1.307 23 H CB -0.301 29.428 29.762 -0.055 0.000 1.401 23 H HN 0.292 nan 8.280 nan 0.000 0.555 24 S N 0.425 116.131 115.700 0.010 0.000 2.387 24 S HA -0.087 4.383 4.470 -0.000 0.000 0.226 24 S C 1.983 176.587 174.600 0.006 0.000 1.026 24 S CA 0.626 58.906 58.200 0.133 0.000 0.972 24 S CB 0.135 63.564 63.200 0.381 0.000 0.814 24 S HN 0.504 nan 8.310 nan 0.000 0.477 25 E N 0.960 121.069 120.200 -0.151 0.000 2.085 25 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 25 E C 2.351 178.837 176.600 -0.189 0.000 0.994 25 E CA 1.052 57.332 56.400 -0.201 0.000 0.801 25 E CB -0.068 29.441 29.700 -0.318 0.000 0.743 25 E HN 0.359 nan 8.360 nan 0.000 0.453 26 Q N 0.007 119.636 119.800 -0.285 0.000 2.050 26 Q HA -0.127 4.212 4.340 -0.000 0.000 0.202 26 Q C 2.253 178.253 176.000 -0.000 0.000 0.980 26 Q CA 1.447 57.148 55.803 -0.170 0.000 0.840 26 Q CB -0.469 28.150 28.738 -0.198 0.000 0.898 26 Q HN 0.283 nan 8.270 nan 0.000 0.424 27 A N 1.025 123.862 122.820 0.028 0.000 1.877 27 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 27 A C 2.221 179.871 177.584 0.109 0.000 1.186 27 A CA 1.171 53.257 52.037 0.081 0.000 0.620 27 A CB -0.725 18.333 19.000 0.097 0.000 0.822 27 A HN 0.305 nan 8.150 nan 0.000 0.443 28 I N -0.315 120.296 120.570 0.068 0.000 2.163 28 I HA -0.306 3.863 4.170 -0.000 0.000 0.243 28 I C 2.962 179.110 176.117 0.051 0.000 1.085 28 I CA 1.154 62.489 61.300 0.058 0.000 1.347 28 I CB -0.334 37.687 38.000 0.034 0.000 1.044 28 I HN 0.380 nan 8.210 nan 0.000 0.408 29 A N -0.314 122.527 122.820 0.036 0.000 1.972 29 A HA -0.276 4.043 4.320 -0.000 0.000 0.219 29 A C 2.202 179.829 177.584 0.071 0.000 1.169 29 A CA 1.323 53.378 52.037 0.031 0.000 0.635 29 A CB -0.924 18.080 19.000 0.008 0.000 0.810 29 A HN 0.538 nan 8.150 nan 0.000 0.446 30 Y N -0.161 120.135 120.300 -0.008 0.000 2.571 30 Y HA 0.223 4.773 4.550 -0.000 0.000 0.294 30 Y C 1.666 177.569 175.900 0.005 0.000 1.141 30 Y CA 0.937 59.039 58.100 0.004 0.000 1.308 30 Y CB 0.020 38.483 38.460 0.004 0.000 1.002 30 Y HN 0.477 nan 8.280 nan 0.000 0.551 31 G N -0.440 108.418 108.800 0.097 0.000 2.176 31 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.232 31 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.232 31 G C 0.313 175.274 174.900 0.102 0.000 0.986 31 G CA 0.201 45.330 45.100 0.048 0.000 0.643 31 G HN 0.311 nan 8.290 nan 0.000 0.522 32 T N 1.452 116.104 114.554 0.165 0.000 2.928 32 T HA 0.283 4.633 4.350 -0.000 0.000 0.305 32 T C 0.889 175.634 174.700 0.076 0.000 1.035 32 T CA 0.395 62.570 62.100 0.125 0.000 1.145 32 T CB 0.778 69.713 68.868 0.111 0.000 0.963 32 T HN 0.289 nan 8.240 nan 0.000 0.545 33 K N 3.834 124.267 120.400 0.055 0.000 2.449 33 K HA 0.122 4.442 4.320 -0.000 0.000 0.237 33 K C 0.143 176.760 176.600 0.028 0.000 1.265 33 K CA -0.204 56.105 56.287 0.037 0.000 1.193 33 K CB -0.059 32.456 32.500 0.026 0.000 1.515 33 K HN 0.359 nan 8.250 nan 0.000 0.259 34 M N 1.876 121.497 119.600 0.035 0.000 2.219 34 M HA -0.003 4.476 4.480 -0.000 0.000 0.353 34 M C 1.124 177.426 176.300 0.004 0.000 1.304 34 M CA 0.254 55.564 55.300 0.015 0.000 1.115 34 M CB 0.883 33.511 32.600 0.046 0.000 1.664 34 M HN 0.238 nan 8.290 nan 0.000 0.459 35 V N 0.189 120.089 119.914 -0.024 0.000 3.432 35 V HA 0.706 4.826 4.120 -0.000 0.000 0.298 35 V C 0.522 176.626 176.094 0.017 0.000 1.464 35 V CA 0.443 62.747 62.300 0.007 0.000 1.046 35 V CB 0.091 31.923 31.823 0.014 0.000 0.887 35 V HN 0.960 nan 8.190 nan 0.000 0.441 36 G N -1.303 107.434 108.800 -0.105 0.000 2.313 36 G HA2 0.580 4.540 3.960 -0.000 0.000 0.296 36 G HA3 0.580 4.540 3.960 -0.000 0.000 0.296 36 G C -0.736 173.845 174.900 -0.532 0.000 1.356 36 G CA 0.108 45.126 45.100 -0.137 0.000 0.833 36 G HN 1.002 nan 8.290 nan 0.000 0.552 37 G N -1.923 106.619 108.800 -0.431 0.000 2.690 37 G HA2 0.741 4.701 3.960 -0.000 0.000 0.291 37 G HA3 0.741 4.701 3.960 -0.000 0.000 0.291 37 G C -1.740 173.246 174.900 0.144 0.000 1.403 37 G CA -0.432 44.401 45.100 -0.444 0.000 0.864 37 G HN 1.348 nan 8.290 nan 0.000 0.480 38 V N 0.431 120.450 119.914 0.175 0.000 2.483 38 V HA 0.715 4.835 4.120 -0.000 0.000 0.297 38 V C -0.422 175.772 176.094 0.168 0.000 1.027 38 V CA -0.516 61.901 62.300 0.194 0.000 0.855 38 V CB 1.759 33.664 31.823 0.136 0.000 0.995 38 V HN 0.793 nan 8.190 nan 0.000 0.424 39 T N 6.753 121.384 114.554 0.129 0.000 3.066 39 T HA 0.362 4.712 4.350 -0.000 0.000 0.318 39 T C -2.868 171.853 174.700 0.034 0.000 0.979 39 T CA -1.128 61.014 62.100 0.070 0.000 1.025 39 T CB 2.031 70.921 68.868 0.037 0.000 1.002 39 T HN 0.307 nan 8.240 nan 0.000 0.453 40 P HA 0.271 nan 4.420 nan 0.000 0.263 40 P C 1.083 178.370 177.300 -0.021 0.000 1.195 40 P CA 1.189 64.286 63.100 -0.004 0.000 0.762 40 P CB 0.421 32.102 31.700 -0.032 0.000 0.799 41 G N 3.267 112.060 108.800 -0.011 0.000 2.232 41 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.226 41 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.226 41 G C 0.632 175.519 174.900 -0.021 0.000 0.996 41 G CA -0.205 44.883 45.100 -0.021 0.000 0.626 41 G HN 0.534 nan 8.290 nan 0.000 0.509 42 K N 0.945 121.334 120.400 -0.018 0.000 2.537 42 K HA 0.403 4.723 4.320 -0.000 0.000 0.206 42 K C 1.179 177.760 176.600 -0.032 0.000 1.041 42 K CA 0.080 56.349 56.287 -0.031 0.000 1.090 42 K CB 1.164 33.634 32.500 -0.050 0.000 0.833 42 K HN 0.399 nan 8.250 nan 0.000 0.493 43 G N 0.052 108.844 108.800 -0.013 0.000 2.432 43 G HA2 0.298 4.258 3.960 -0.000 0.000 0.239 43 G HA3 0.298 4.258 3.960 -0.000 0.000 0.239 43 G C 0.932 175.796 174.900 -0.061 0.000 1.291 43 G CA 0.545 45.631 45.100 -0.023 0.000 0.863 43 G HN 0.360 nan 8.290 nan 0.000 0.560 44 G N 0.553 109.270 108.800 -0.137 0.000 2.143 44 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.249 44 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.249 44 G C 0.551 175.392 174.900 -0.098 0.000 0.981 44 G CA 1.229 46.262 45.100 -0.111 0.000 0.665 44 G HN 1.795 nan 8.290 nan 0.000 0.528 45 T N -2.043 112.447 114.554 -0.107 0.000 2.905 45 T HA 0.837 5.186 4.350 -0.000 0.000 0.283 45 T C 0.051 174.715 174.700 -0.060 0.000 1.031 45 T CA 0.358 62.420 62.100 -0.063 0.000 1.002 45 T CB 2.285 71.127 68.868 -0.044 0.000 1.200 45 T HN 1.206 nan 8.240 nan 0.000 0.560 46 T N -0.934 113.618 114.554 -0.004 0.000 2.893 46 T HA 0.679 5.028 4.350 -0.000 0.000 0.291 46 T C -1.217 173.556 174.700 0.122 0.000 1.028 46 T CA -0.738 61.389 62.100 0.045 0.000 0.995 46 T CB 1.448 70.328 68.868 0.021 0.000 1.051 46 T HN 1.118 nan 8.240 nan 0.000 0.470 47 H N 1.462 120.551 119.070 0.032 0.000 3.026 47 H HA 0.453 5.008 4.556 -0.000 0.000 0.352 47 H C 0.114 175.420 175.328 -0.037 0.000 1.090 47 H CA -1.077 54.917 56.048 -0.091 0.000 1.268 47 H CB 0.765 30.363 29.762 -0.273 0.000 1.816 47 H HN 0.849 nan 8.280 nan 0.000 0.518 48 L N 4.301 125.290 121.223 -0.390 0.000 3.717 48 L HA -0.274 4.066 4.340 -0.000 0.000 0.414 48 L C 1.183 178.042 176.870 -0.018 0.000 1.228 48 L CA 0.931 55.629 54.840 -0.237 0.000 0.918 48 L CB -1.718 40.195 42.059 -0.243 0.000 1.865 48 L HN 1.171 nan 8.230 nan 0.000 0.922 49 G N -0.690 108.108 108.800 -0.004 0.000 2.166 49 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 49 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 49 G C 0.143 175.088 174.900 0.074 0.000 0.986 49 G CA 0.865 45.983 45.100 0.029 0.000 0.683 49 G HN 0.403 nan 8.290 nan 0.000 0.527 50 L N 0.878 122.190 121.223 0.150 0.000 2.319 50 L HA 0.584 4.924 4.340 -0.000 0.000 0.267 50 L C -1.906 175.046 176.870 0.138 0.000 1.011 50 L CA -2.682 52.256 54.840 0.164 0.000 0.818 50 L CB 2.291 44.480 42.059 0.217 0.000 1.316 50 L HN -0.127 nan 8.230 nan 0.000 0.432 51 P HA 0.135 nan 4.420 nan 0.000 0.279 51 P C -0.960 176.125 177.300 -0.360 0.000 1.239 51 P CA -0.202 62.768 63.100 -0.216 0.000 0.789 51 P CB 1.582 33.105 31.700 -0.295 0.000 0.933 52 V N 4.467 124.144 119.914 -0.396 0.000 2.483 52 V HA 0.406 4.526 4.120 -0.000 0.000 0.295 52 V C 0.089 175.836 176.094 -0.578 0.000 1.035 52 V CA -0.250 61.913 62.300 -0.230 0.000 0.896 52 V CB 0.573 32.405 31.823 0.015 0.000 0.986 52 V HN 0.386 nan 8.190 nan 0.000 0.447 53 F N 1.941 121.924 119.950 0.056 0.000 2.556 53 F HA 0.514 5.040 4.527 -0.000 0.000 0.327 53 F C 1.310 177.124 175.800 0.023 0.000 1.059 53 F CA -0.866 57.150 58.000 0.027 0.000 0.953 53 F CB 1.376 40.381 39.000 0.007 0.000 1.227 53 F HN 0.313 nan 8.300 nan 0.000 0.478 54 N N -0.239 118.583 118.700 0.202 0.000 2.396 54 N HA -0.039 4.700 4.740 -0.000 0.000 0.180 54 N C 0.351 175.922 175.510 0.102 0.000 1.028 54 N CA 1.002 54.117 53.050 0.109 0.000 0.893 54 N CB 0.098 38.629 38.487 0.073 0.000 0.967 54 N HN 0.767 nan 8.380 nan 0.000 0.440 55 T N -4.334 110.296 114.554 0.126 0.000 2.864 55 T HA 0.370 4.720 4.350 -0.000 0.000 0.299 55 T C 1.119 175.838 174.700 0.031 0.000 1.166 55 T CA -0.785 61.352 62.100 0.062 0.000 1.007 55 T CB 1.554 70.439 68.868 0.029 0.000 1.219 55 T HN -0.264 nan 8.240 nan 0.000 0.506 56 V N 1.488 121.400 119.914 -0.003 0.000 2.515 56 V HA -0.077 4.043 4.120 -0.000 0.000 0.250 56 V C 2.898 178.928 176.094 -0.107 0.000 1.058 56 V CA 1.522 63.794 62.300 -0.047 0.000 1.064 56 V CB -0.932 30.872 31.823 -0.031 0.000 0.675 56 V HN 0.821 nan 8.190 nan 0.000 0.461 57 R N 0.125 120.577 120.500 -0.080 0.000 2.073 57 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 57 R C 2.341 178.546 176.300 -0.158 0.000 1.134 57 R CA 1.781 57.823 56.100 -0.097 0.000 0.952 57 R CB -0.330 29.935 30.300 -0.058 0.000 0.850 57 R HN 0.613 nan 8.270 nan 0.000 0.433 58 E N 0.642 120.752 120.200 -0.150 0.000 2.058 58 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 58 E C 2.111 178.318 176.600 -0.654 0.000 0.997 58 E CA 1.294 57.561 56.400 -0.222 0.000 0.801 58 E CB -0.188 29.506 29.700 -0.011 0.000 0.746 58 E HN 0.366 nan 8.360 nan 0.000 0.450 59 A N 0.995 123.315 122.820 -0.833 0.000 1.908 59 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 59 A C 2.526 179.701 177.584 -0.681 0.000 1.181 59 A CA 1.415 52.665 52.037 -1.311 0.000 0.627 59 A CB -0.735 17.930 19.000 -0.559 0.000 0.818 59 A HN 0.134 nan 8.150 nan 0.000 0.445 60 V N -0.336 119.355 119.914 -0.372 0.000 2.427 60 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 60 V C 3.014 178.987 176.094 -0.202 0.000 1.051 60 V CA 1.827 63.990 62.300 -0.228 0.000 1.048 60 V CB -1.106 30.629 31.823 -0.147 0.000 0.666 60 V HN 0.624 nan 8.190 nan 0.000 0.456 61 A N -0.106 122.586 122.820 -0.214 0.000 1.930 61 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 61 A C 2.349 179.846 177.584 -0.144 0.000 1.175 61 A CA 1.889 53.839 52.037 -0.145 0.000 0.627 61 A CB -0.580 18.349 19.000 -0.118 0.000 0.815 61 A HN 0.552 nan 8.150 nan 0.000 0.443 62 A N -0.913 121.763 122.820 -0.240 0.000 2.016 62 A HA 0.073 4.392 4.320 -0.000 0.000 0.217 62 A C 2.219 179.757 177.584 -0.076 0.000 1.162 62 A CA 2.175 54.127 52.037 -0.141 0.000 0.662 62 A CB -0.569 18.338 19.000 -0.154 0.000 0.812 62 A HN 0.752 nan 8.150 nan 0.000 0.450 63 T N -6.466 108.008 114.554 -0.133 0.000 2.955 63 T HA 0.419 4.769 4.350 -0.000 0.000 0.251 63 T C 1.418 176.083 174.700 -0.058 0.000 1.002 63 T CA 1.136 63.200 62.100 -0.059 0.000 0.970 63 T CB 0.270 69.109 68.868 -0.047 0.000 1.091 63 T HN 1.658 nan 8.240 nan 0.000 0.495 64 G N 1.931 110.681 108.800 -0.083 0.000 2.148 64 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.254 64 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.254 64 G C 0.388 175.253 174.900 -0.057 0.000 0.981 64 G CA 0.047 45.110 45.100 -0.062 0.000 0.670 64 G HN 1.310 nan 8.290 nan 0.000 0.528 65 A N 0.157 122.935 122.820 -0.070 0.000 2.565 65 A HA 0.556 4.876 4.320 -0.000 0.000 0.237 65 A C 1.575 179.126 177.584 -0.056 0.000 1.053 65 A CA 1.759 53.761 52.037 -0.059 0.000 0.755 65 A CB 0.211 19.170 19.000 -0.069 0.000 0.980 65 A HN 1.611 nan 8.150 nan 0.000 0.506 66 T N -1.071 113.457 114.554 -0.043 0.000 3.023 66 T HA 0.558 4.907 4.350 -0.000 0.000 0.253 66 T C 0.384 175.059 174.700 -0.042 0.000 1.038 66 T CA 0.557 62.632 62.100 -0.042 0.000 0.962 66 T CB 0.008 68.855 68.868 -0.034 0.000 1.018 66 T HN 1.518 nan 8.240 nan 0.000 0.521 67 A N 0.555 123.351 122.820 -0.040 0.000 2.435 67 A HA 0.812 5.132 4.320 -0.000 0.000 0.304 67 A C -0.561 176.999 177.584 -0.039 0.000 1.064 67 A CA -0.758 51.255 52.037 -0.040 0.000 0.727 67 A CB 2.050 21.030 19.000 -0.034 0.000 1.284 67 A HN 0.214 nan 8.150 nan 0.000 0.415 68 S N 0.244 115.919 115.700 -0.041 0.000 2.538 68 S HA 0.630 5.099 4.470 -0.000 0.000 0.288 68 S C -1.337 173.239 174.600 -0.040 0.000 1.108 68 S CA -0.433 57.747 58.200 -0.034 0.000 0.971 68 S CB 1.469 64.650 63.200 -0.032 0.000 1.041 68 S HN 1.672 nan 8.310 nan 0.000 0.483 69 V N 6.430 126.332 119.914 -0.020 0.000 2.483 69 V HA 0.655 4.774 4.120 -0.000 0.000 0.295 69 V C -0.945 175.100 176.094 -0.082 0.000 1.035 69 V CA -0.709 61.547 62.300 -0.072 0.000 0.896 69 V CB 1.309 33.131 31.823 -0.002 0.000 0.986 69 V HN 0.884 nan 8.190 nan 0.000 0.447 70 I N 7.082 127.520 120.570 -0.220 0.000 2.362 70 I HA 0.378 4.548 4.170 -0.000 0.000 0.289 70 I C -1.125 174.819 176.117 -0.289 0.000 0.994 70 I CA -0.358 60.857 61.300 -0.142 0.000 1.158 70 I CB 1.567 39.521 38.000 -0.076 0.000 1.315 70 I HN 0.650 nan 8.210 nan 0.000 0.451 71 Y N 5.350 125.707 120.300 0.095 0.000 2.669 71 Y HA 0.340 4.890 4.550 -0.000 0.000 0.302 71 Y C -0.001 175.968 175.900 0.115 0.000 1.000 71 Y CA -0.414 57.751 58.100 0.108 0.000 1.222 71 Y CB 0.750 39.300 38.460 0.151 0.000 1.209 71 Y HN 0.209 nan 8.280 nan 0.000 0.571 72 V N 2.316 122.348 119.914 0.197 0.000 2.481 72 V HA 0.334 4.454 4.120 -0.000 0.000 0.286 72 V C -2.070 174.134 176.094 0.183 0.000 1.042 72 V CA -2.471 59.954 62.300 0.207 0.000 0.928 72 V CB 1.492 33.430 31.823 0.192 0.000 0.986 72 V HN 0.128 nan 8.190 nan 0.000 0.462 73 P HA 0.047 nan 4.420 nan 0.000 0.266 73 P C 0.673 177.969 177.300 -0.008 0.000 1.193 73 P CA 0.281 63.450 63.100 0.116 0.000 0.770 73 P CB 0.583 32.377 31.700 0.157 0.000 0.836 74 A N 5.522 128.302 122.820 -0.067 0.000 1.915 74 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 74 A C -0.391 177.059 177.584 -0.223 0.000 1.198 74 A CA 2.150 54.120 52.037 -0.111 0.000 0.647 74 A CB -2.613 16.333 19.000 -0.090 0.000 0.825 74 A HN 0.524 nan 8.150 nan 0.000 0.456 75 P HA -0.122 nan 4.420 nan 0.000 0.218 75 P C 0.424 177.299 177.300 -0.708 0.000 1.146 75 P CA 1.038 63.739 63.100 -0.665 0.000 0.813 75 P CB -0.111 30.966 31.700 -1.039 0.000 0.778 76 F N -3.896 116.061 119.950 0.012 0.000 2.661 76 F HA 0.216 4.742 4.527 -0.001 0.000 0.306 76 F C 1.911 177.717 175.800 0.009 0.000 1.094 76 F CA -0.626 57.382 58.000 0.012 0.000 1.254 76 F CB -1.349 37.663 39.000 0.020 0.000 1.040 76 F HN -0.077 nan 8.300 nan 0.000 0.562 77 C N 0.571 119.913 119.300 0.071 0.000 2.453 77 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 77 C C 2.986 177.997 174.990 0.035 0.000 1.262 77 C CA 1.262 60.310 59.018 0.050 0.000 1.718 77 C CB -0.592 27.149 27.740 0.001 0.000 2.031 77 C HN 0.549 nan 8.230 nan 0.000 0.480 78 K N 0.796 121.205 120.400 0.016 0.000 2.044 78 K HA -0.262 4.058 4.320 -0.000 0.000 0.210 78 K C 1.623 178.240 176.600 0.029 0.000 1.049 78 K CA 2.493 58.785 56.287 0.009 0.000 0.927 78 K CB -0.456 32.044 32.500 -0.000 0.000 0.713 78 K HN 0.477 nan 8.250 nan 0.000 0.443 79 D N -0.261 120.175 120.400 0.061 0.000 2.123 79 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 79 D C 1.722 178.056 176.300 0.056 0.000 0.992 79 D CA 1.602 55.643 54.000 0.068 0.000 0.833 79 D CB -0.035 40.833 40.800 0.114 0.000 0.954 79 D HN 0.158 nan 8.370 nan 0.000 0.455 80 S N -0.822 114.921 115.700 0.071 0.000 2.368 80 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 80 S C 2.078 176.693 174.600 0.024 0.000 1.029 80 S CA 0.698 58.930 58.200 0.054 0.000 0.988 80 S CB -0.208 63.037 63.200 0.074 0.000 0.838 80 S HN 0.326 nan 8.310 nan 0.000 0.462 81 I N 1.329 121.907 120.570 0.013 0.000 2.252 81 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 81 I C 1.959 178.069 176.117 -0.010 0.000 1.102 81 I CA 1.030 62.325 61.300 -0.008 0.000 1.385 81 I CB -0.338 37.651 38.000 -0.020 0.000 1.064 81 I HN 0.219 nan 8.210 nan 0.000 0.414 82 L N 0.333 121.554 121.223 -0.003 0.000 2.141 82 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 82 L C 2.595 179.462 176.870 -0.006 0.000 1.094 82 L CA 1.309 56.145 54.840 -0.006 0.000 0.763 82 L CB -0.587 41.471 42.059 -0.001 0.000 0.908 82 L HN 0.335 nan 8.230 nan 0.000 0.437 83 E N 0.747 120.948 120.200 0.002 0.000 2.077 83 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 83 E C 2.234 178.827 176.600 -0.012 0.000 0.989 83 E CA 1.279 57.678 56.400 -0.001 0.000 0.800 83 E CB 0.003 29.708 29.700 0.009 0.000 0.746 83 E HN 0.426 nan 8.360 nan 0.000 0.452 84 A N 0.974 123.787 122.820 -0.013 0.000 1.933 84 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 84 A C 2.172 179.738 177.584 -0.030 0.000 1.175 84 A CA 1.289 53.312 52.037 -0.024 0.000 0.628 84 A CB -0.584 18.401 19.000 -0.024 0.000 0.814 84 A HN 0.363 nan 8.150 nan 0.000 0.444 85 I N -0.398 120.156 120.570 -0.027 0.000 2.315 85 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 85 I C 2.192 178.292 176.117 -0.028 0.000 1.117 85 I CA 1.886 63.168 61.300 -0.030 0.000 1.404 85 I CB -0.295 37.688 38.000 -0.028 0.000 1.071 85 I HN 0.442 nan 8.210 nan 0.000 0.419 86 D N 0.946 121.331 120.400 -0.024 0.000 2.183 86 D HA -0.097 4.543 4.640 -0.000 0.000 0.203 86 D C 2.041 178.324 176.300 -0.029 0.000 0.969 86 D CA 1.027 55.013 54.000 -0.023 0.000 0.842 86 D CB 0.129 40.919 40.800 -0.017 0.000 0.957 86 D HN 0.266 nan 8.370 nan 0.000 0.484 87 A N -0.878 121.922 122.820 -0.033 0.000 2.235 87 A HA 0.424 4.743 4.320 -0.000 0.000 0.208 87 A C 1.867 179.422 177.584 -0.048 0.000 1.172 87 A CA 0.989 53.000 52.037 -0.044 0.000 0.786 87 A CB -0.562 18.406 19.000 -0.053 0.000 0.804 87 A HN 0.483 nan 8.150 nan 0.000 0.479 88 G N -1.174 107.601 108.800 -0.042 0.000 2.176 88 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.232 88 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.232 88 G C 0.131 175.004 174.900 -0.045 0.000 0.986 88 G CA -0.033 45.041 45.100 -0.043 0.000 0.643 88 G HN 0.302 nan 8.290 nan 0.000 0.522 89 I N 0.861 121.403 120.570 -0.048 0.000 2.752 89 I HA 0.065 4.235 4.170 -0.000 0.000 0.289 89 I C 1.384 177.474 176.117 -0.045 0.000 1.197 89 I CA 0.735 62.007 61.300 -0.048 0.000 1.432 89 I CB 1.010 38.981 38.000 -0.047 0.000 1.359 89 I HN 0.008 nan 8.210 nan 0.000 0.571 90 K N 4.646 125.020 120.400 -0.045 0.000 2.352 90 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 90 K C -0.148 176.422 176.600 -0.049 0.000 1.038 90 K CA 0.187 56.447 56.287 -0.045 0.000 1.023 90 K CB 0.257 32.732 32.500 -0.041 0.000 0.840 90 K HN 0.398 nan 8.250 nan 0.000 0.519 91 L N 1.046 122.239 121.223 -0.050 0.000 2.439 91 L HA 0.487 4.827 4.340 -0.000 0.000 0.270 91 L C -1.410 175.426 176.870 -0.057 0.000 0.972 91 L CA -0.466 54.341 54.840 -0.056 0.000 0.836 91 L CB 1.400 43.427 42.059 -0.053 0.000 1.255 91 L HN -0.088 nan 8.230 nan 0.000 0.404 92 I N 5.975 126.506 120.570 -0.065 0.000 2.465 92 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 92 I C -0.831 175.236 176.117 -0.085 0.000 1.014 92 I CA -0.675 60.584 61.300 -0.069 0.000 1.093 92 I CB 1.945 39.907 38.000 -0.064 0.000 1.267 92 I HN 0.381 nan 8.210 nan 0.000 0.431 93 I N 5.069 125.581 120.570 -0.096 0.000 2.354 93 I HA 0.278 4.447 4.170 -0.000 0.000 0.286 93 I C -0.116 175.903 176.117 -0.163 0.000 1.007 93 I CA -0.276 60.951 61.300 -0.121 0.000 1.167 93 I CB 1.337 39.268 38.000 -0.116 0.000 1.320 93 I HN 0.480 nan 8.210 nan 0.000 0.458 94 T N 6.822 121.282 114.554 -0.157 0.000 2.756 94 T HA 0.391 4.740 4.350 -0.000 0.000 0.290 94 T C 1.562 176.143 174.700 -0.198 0.000 0.985 94 T CA -0.334 61.661 62.100 -0.174 0.000 0.955 94 T CB 1.614 70.410 68.868 -0.119 0.000 0.930 94 T HN 0.230 nan 8.240 nan 0.000 0.451 95 I N 1.667 122.063 120.570 -0.291 0.000 2.480 95 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 95 I C 1.526 177.570 176.117 -0.121 0.000 1.124 95 I CA 0.569 61.719 61.300 -0.249 0.000 1.444 95 I CB -1.398 36.339 38.000 -0.437 0.000 1.098 95 I HN 0.505 nan 8.210 nan 0.000 0.428 96 T N 3.651 118.148 114.554 -0.096 0.000 2.867 96 T HA -0.092 4.257 4.350 -0.000 0.000 0.290 96 T C 0.527 175.206 174.700 -0.035 0.000 1.025 96 T CA 0.462 62.545 62.100 -0.028 0.000 1.146 96 T CB 0.711 69.569 68.868 -0.016 0.000 1.024 96 T HN 0.207 nan 8.240 nan 0.000 0.519 97 E N 0.981 121.175 120.200 -0.010 0.000 2.212 97 E HA 0.481 4.830 4.350 -0.000 0.000 0.270 97 E C 0.883 177.473 176.600 -0.016 0.000 0.956 97 E CA 0.038 56.429 56.400 -0.015 0.000 0.825 97 E CB 1.394 31.100 29.700 0.010 0.000 1.167 97 E HN 0.857 nan 8.360 nan 0.000 0.400 98 G N 3.294 112.080 108.800 -0.024 0.000 2.157 98 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.239 98 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.239 98 G C 0.321 175.194 174.900 -0.045 0.000 0.982 98 G CA 0.148 45.230 45.100 -0.029 0.000 0.650 98 G HN 0.477 nan 8.290 nan 0.000 0.527 99 I N 2.163 122.703 120.570 -0.049 0.000 2.556 99 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 99 I C -1.482 174.605 176.117 -0.051 0.000 1.114 99 I CA -1.732 59.534 61.300 -0.056 0.000 1.418 99 I CB 0.704 38.671 38.000 -0.054 0.000 1.394 99 I HN -0.103 nan 8.210 nan 0.000 0.552 100 P HA -0.014 nan 4.420 nan 0.000 0.264 100 P C 0.717 177.993 177.300 -0.040 0.000 1.183 100 P CA 0.221 63.295 63.100 -0.044 0.000 0.763 100 P CB 0.494 32.167 31.700 -0.045 0.000 0.807 101 T N 2.551 117.084 114.554 -0.036 0.000 2.665 101 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 101 T C 1.687 176.367 174.700 -0.034 0.000 1.035 101 T CA 1.371 63.450 62.100 -0.035 0.000 1.151 101 T CB -0.605 68.245 68.868 -0.030 0.000 0.862 101 T HN 0.342 nan 8.240 nan 0.000 0.438 102 L N 0.702 121.908 121.223 -0.030 0.000 2.191 102 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 102 L C 2.391 179.244 176.870 -0.028 0.000 1.103 102 L CA 1.048 55.873 54.840 -0.027 0.000 0.769 102 L CB -0.608 41.438 42.059 -0.023 0.000 0.908 102 L HN 0.176 nan 8.230 nan 0.000 0.438 103 D N -0.366 120.015 120.400 -0.032 0.000 2.097 103 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 103 D C 2.256 178.536 176.300 -0.034 0.000 0.984 103 D CA 1.096 55.078 54.000 -0.031 0.000 0.826 103 D CB -0.032 40.747 40.800 -0.035 0.000 0.973 103 D HN 0.103 nan 8.370 nan 0.000 0.460 104 M N 0.270 119.846 119.600 -0.040 0.000 2.296 104 M HA -0.024 4.456 4.480 -0.000 0.000 0.265 104 M C 2.180 178.455 176.300 -0.043 0.000 1.064 104 M CA 0.539 55.812 55.300 -0.046 0.000 1.109 104 M CB -0.717 31.850 32.600 -0.055 0.000 1.396 104 M HN 0.099 nan 8.290 nan 0.000 0.430 105 L N -0.422 120.778 121.223 -0.037 0.000 2.046 105 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 105 L C 2.114 178.965 176.870 -0.032 0.000 1.077 105 L CA 1.374 56.193 54.840 -0.034 0.000 0.747 105 L CB -0.310 41.732 42.059 -0.029 0.000 0.896 105 L HN 0.220 nan 8.230 nan 0.000 0.432 106 T N -1.023 113.514 114.554 -0.028 0.000 2.812 106 T HA -0.132 4.218 4.350 -0.000 0.000 0.264 106 T C 1.888 176.571 174.700 -0.028 0.000 1.042 106 T CA 1.360 63.445 62.100 -0.025 0.000 1.140 106 T CB -0.096 68.760 68.868 -0.020 0.000 0.870 106 T HN 0.150 nan 8.240 nan 0.000 0.445 107 V N 1.752 121.647 119.914 -0.031 0.000 2.343 107 V HA -0.158 3.961 4.120 -0.000 0.000 0.247 107 V C 2.524 178.594 176.094 -0.040 0.000 1.051 107 V CA 1.619 63.898 62.300 -0.034 0.000 1.036 107 V CB -0.495 31.306 31.823 -0.037 0.000 0.654 107 V HN 0.323 nan 8.190 nan 0.000 0.451 108 K N 0.468 120.841 120.400 -0.045 0.000 2.103 108 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 108 K C 1.821 178.394 176.600 -0.044 0.000 1.048 108 K CA 1.777 58.033 56.287 -0.051 0.000 0.930 108 K CB -0.782 31.686 32.500 -0.054 0.000 0.716 108 K HN 0.293 nan 8.250 nan 0.000 0.444 109 V N 0.772 120.663 119.914 -0.037 0.000 2.358 109 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 109 V C 2.335 178.410 176.094 -0.032 0.000 1.047 109 V CA 2.012 64.293 62.300 -0.033 0.000 1.035 109 V CB -0.497 31.310 31.823 -0.027 0.000 0.658 109 V HN 0.339 nan 8.190 nan 0.000 0.452 110 K N 0.408 120.790 120.400 -0.031 0.000 2.057 110 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 110 K C 1.909 178.489 176.600 -0.034 0.000 1.050 110 K CA 1.550 57.820 56.287 -0.029 0.000 0.935 110 K CB -0.591 31.893 32.500 -0.026 0.000 0.715 110 K HN 0.384 nan 8.250 nan 0.000 0.439 111 L N 0.641 121.840 121.223 -0.040 0.000 2.012 111 L HA -0.241 4.098 4.340 -0.000 0.000 0.210 111 L C 1.903 178.745 176.870 -0.046 0.000 1.073 111 L CA 1.659 56.472 54.840 -0.045 0.000 0.748 111 L CB -0.546 41.481 42.059 -0.054 0.000 0.891 111 L HN 0.230 nan 8.230 nan 0.000 0.431 112 D N -0.308 120.064 120.400 -0.046 0.000 2.117 112 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 112 D C 2.162 178.440 176.300 -0.038 0.000 0.987 112 D CA 1.145 55.118 54.000 -0.045 0.000 0.829 112 D CB -0.012 40.761 40.800 -0.044 0.000 0.961 112 D HN 0.320 nan 8.370 nan 0.000 0.460 113 E N -0.069 120.111 120.200 -0.033 0.000 2.152 113 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 113 E C 1.726 178.309 176.600 -0.028 0.000 0.983 113 E CA 0.809 57.192 56.400 -0.028 0.000 0.818 113 E CB 0.048 29.733 29.700 -0.024 0.000 0.758 113 E HN 0.174 nan 8.360 nan 0.000 0.467 114 A N -0.193 122.609 122.820 -0.030 0.000 2.251 114 A HA 0.273 4.593 4.320 -0.000 0.000 0.209 114 A C 1.548 179.113 177.584 -0.033 0.000 1.187 114 A CA 0.654 52.673 52.037 -0.030 0.000 0.823 114 A CB -0.465 18.517 19.000 -0.030 0.000 0.846 114 A HN 0.291 nan 8.150 nan 0.000 0.486 115 G N -0.753 108.025 108.800 -0.036 0.000 2.273 115 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.280 115 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.280 115 G C 0.037 174.911 174.900 -0.043 0.000 1.047 115 G CA 0.429 45.505 45.100 -0.039 0.000 0.869 115 G HN 0.760 nan 8.290 nan 0.000 0.502 116 V N -0.246 119.641 119.914 -0.046 0.000 2.483 116 V HA 0.641 4.761 4.120 -0.000 0.000 0.295 116 V C 0.692 176.751 176.094 -0.058 0.000 1.035 116 V CA -0.904 61.367 62.300 -0.049 0.000 0.896 116 V CB 1.770 33.565 31.823 -0.046 0.000 0.986 116 V HN 0.524 nan 8.190 nan 0.000 0.447 117 R N 4.328 124.790 120.500 -0.063 0.000 2.265 117 R HA 0.666 5.006 4.340 -0.000 0.000 0.319 117 R C -0.698 175.555 176.300 -0.078 0.000 1.006 117 R CA -0.166 55.889 56.100 -0.075 0.000 0.880 117 R CB 0.958 31.211 30.300 -0.079 0.000 1.077 117 R HN 0.790 nan 8.270 nan 0.000 0.454 118 M N 5.837 125.385 119.600 -0.087 0.000 2.395 118 M HA 0.458 4.938 4.480 -0.000 0.000 0.307 118 M C -1.492 174.744 176.300 -0.107 0.000 1.091 118 M CA -0.902 54.344 55.300 -0.091 0.000 0.919 118 M CB 1.377 33.927 32.600 -0.084 0.000 1.662 118 M HN 0.494 nan 8.290 nan 0.000 0.440 119 I N 4.337 124.841 120.570 -0.110 0.000 2.354 119 I HA 0.805 4.974 4.170 -0.000 0.000 0.292 119 I C 0.672 176.712 176.117 -0.127 0.000 0.989 119 I CA 0.056 61.282 61.300 -0.123 0.000 1.188 119 I CB 0.205 38.137 38.000 -0.113 0.000 1.342 119 I HN 0.971 nan 8.210 nan 0.000 0.457 120 G N 8.649 117.365 108.800 -0.140 0.000 2.396 120 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.254 120 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.254 120 G C -3.192 171.628 174.900 -0.133 0.000 1.248 120 G CA -0.753 44.263 45.100 -0.141 0.000 1.033 120 G HN 0.417 nan 8.290 nan 0.000 0.502 121 P HA 0.250 nan 4.420 nan 0.000 0.318 121 P C 0.404 177.626 177.300 -0.131 0.000 1.309 121 P CA 0.511 63.540 63.100 -0.117 0.000 0.736 121 P CB 0.271 31.915 31.700 -0.094 0.000 1.440 122 N N -2.303 116.329 118.700 -0.114 0.000 2.727 122 N HA -0.163 4.577 4.740 -0.000 0.000 0.249 122 N C -0.843 174.582 175.510 -0.141 0.000 1.048 122 N CA 0.806 53.787 53.050 -0.115 0.000 0.714 122 N CB -1.722 36.681 38.487 -0.140 0.000 0.959 122 N HN 0.466 nan 8.380 nan 0.000 0.544 123 S N -0.567 115.059 115.700 -0.123 0.000 2.532 123 S HA 0.710 5.179 4.470 -0.000 0.000 0.301 123 S C -1.662 172.893 174.600 -0.075 0.000 1.083 123 S CA -1.199 56.933 58.200 -0.114 0.000 1.025 123 S CB 1.797 64.923 63.200 -0.124 0.000 1.056 123 S HN 0.107 nan 8.310 nan 0.000 0.494 124 P HA 0.270 nan 4.420 nan 0.000 0.240 124 P C 0.828 178.135 177.300 0.011 0.000 1.190 124 P CA 0.871 63.989 63.100 0.030 0.000 0.781 124 P CB -0.152 31.610 31.700 0.103 0.000 0.931 125 G N -1.167 107.617 108.800 -0.028 0.000 2.342 125 G HA2 0.018 3.977 3.960 -0.000 0.000 0.220 125 G HA3 0.018 3.977 3.960 -0.000 0.000 0.220 125 G C -1.651 173.232 174.900 -0.028 0.000 1.243 125 G CA -0.430 44.643 45.100 -0.046 0.000 1.083 125 G HN 0.052 nan 8.290 nan 0.000 0.500 126 V N 0.479 120.369 119.914 -0.041 0.000 2.841 126 V HA 0.818 4.938 4.120 -0.000 0.000 0.310 126 V C -0.253 175.801 176.094 -0.068 0.000 1.090 126 V CA -0.408 61.872 62.300 -0.034 0.000 0.930 126 V CB 1.823 33.621 31.823 -0.042 0.000 1.014 126 V HN 1.167 nan 8.190 nan 0.000 0.425 127 I N 2.199 122.728 120.570 -0.069 0.000 2.644 127 I HA 0.537 4.707 4.170 -0.000 0.000 0.291 127 I C -0.706 175.377 176.117 -0.058 0.000 1.180 127 I CA 0.103 61.310 61.300 -0.155 0.000 1.040 127 I CB 2.438 40.201 38.000 -0.395 0.000 1.255 127 I HN 0.648 nan 8.210 nan 0.000 0.422 128 T N 8.389 122.933 114.554 -0.017 0.000 3.042 128 T HA 0.389 4.739 4.350 -0.000 0.000 0.356 128 T C -2.573 172.186 174.700 0.099 0.000 1.233 128 T CA -1.091 61.047 62.100 0.062 0.000 1.038 128 T CB 0.751 69.663 68.868 0.072 0.000 1.089 128 T HN 0.336 nan 8.240 nan 0.000 0.531 129 P HA 0.100 nan 4.420 nan 0.000 0.261 129 P C 1.147 178.571 177.300 0.208 0.000 1.165 129 P CA 1.129 64.352 63.100 0.205 0.000 0.759 129 P CB 0.281 32.108 31.700 0.211 0.000 0.772 130 G N 2.518 111.465 108.800 0.245 0.000 2.234 130 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 130 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 130 G C 0.811 175.751 174.900 0.067 0.000 0.987 130 G CA 0.467 45.608 45.100 0.068 0.000 0.625 130 G HN 0.569 nan 8.290 nan 0.000 0.532 131 E N -1.896 118.409 120.200 0.174 0.000 2.520 131 E HA 0.355 4.705 4.350 -0.000 0.000 0.201 131 E C 0.367 177.081 176.600 0.191 0.000 0.894 131 E CA 0.607 57.088 56.400 0.135 0.000 1.161 131 E CB 1.145 30.903 29.700 0.096 0.000 1.137 131 E HN 0.441 nan 8.360 nan 0.000 0.510 132 C N 1.539 120.972 119.300 0.220 0.000 2.811 132 C HA 0.465 4.925 4.460 -0.000 0.000 0.352 132 C C -1.717 173.274 174.990 0.001 0.000 1.098 132 C CA -0.649 58.457 59.018 0.148 0.000 1.295 132 C CB 0.984 28.766 27.740 0.070 0.000 1.758 132 C HN 0.234 nan 8.230 nan 0.000 0.488 133 K N 5.989 126.338 120.400 -0.084 0.000 2.463 133 K HA 0.769 5.089 4.320 -0.000 0.000 0.255 133 K C -1.583 174.944 176.600 -0.121 0.000 0.942 133 K CA -0.442 55.660 56.287 -0.309 0.000 0.814 133 K CB 0.876 32.881 32.500 -0.826 0.000 1.122 133 K HN 0.766 nan 8.250 nan 0.000 0.425 134 I N 4.221 124.739 120.570 -0.088 0.000 2.439 134 I HA 0.559 4.729 4.170 -0.000 0.000 0.285 134 I C 0.163 176.273 176.117 -0.012 0.000 1.021 134 I CA -0.460 60.832 61.300 -0.013 0.000 1.091 134 I CB 1.762 39.750 38.000 -0.019 0.000 1.242 134 I HN 0.998 nan 8.210 nan 0.000 0.439 135 G N 5.396 114.235 108.800 0.066 0.000 2.293 135 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.282 135 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.282 135 G C -0.123 174.820 174.900 0.072 0.000 1.299 135 G CA -0.270 44.859 45.100 0.048 0.000 1.018 135 G HN 0.730 nan 8.290 nan 0.000 0.478 136 I N -1.308 119.261 120.570 -0.001 0.000 4.018 136 I HA 0.330 4.499 4.170 -0.000 0.000 0.337 136 I C 0.966 177.168 176.117 0.141 0.000 1.327 136 I CA -0.028 61.255 61.300 -0.028 0.000 1.100 136 I CB 0.385 38.256 38.000 -0.215 0.000 1.025 136 I HN 0.558 nan 8.210 nan 0.000 0.396 137 Q N 3.990 123.850 119.800 0.100 0.000 2.395 137 Q HA 0.211 4.550 4.340 -0.000 0.000 0.271 137 Q C -2.393 173.543 176.000 -0.107 0.000 1.026 137 Q CA -1.606 54.185 55.803 -0.020 0.000 0.900 137 Q CB -0.459 28.320 28.738 0.069 0.000 1.266 137 Q HN 0.198 nan 8.270 nan 0.000 0.430 138 P HA 0.071 nan 4.420 nan 0.000 0.274 138 P C 0.564 177.774 177.300 -0.150 0.000 1.291 138 P CA 0.085 63.061 63.100 -0.206 0.000 0.815 138 P CB 0.418 31.894 31.700 -0.372 0.000 0.897 139 G N 3.401 112.195 108.800 -0.011 0.000 2.470 139 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.220 139 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.220 139 G C 1.124 176.214 174.900 0.315 0.000 1.121 139 G CA 0.721 45.903 45.100 0.137 0.000 0.766 139 G HN 0.669 nan 8.290 nan 0.000 0.553 140 H N 0.132 119.338 119.070 0.226 0.000 2.546 140 H HA 0.124 4.679 4.556 -0.000 0.000 0.277 140 H C 2.094 177.480 175.328 0.097 0.000 1.004 140 H CA 0.919 57.061 56.048 0.156 0.000 1.231 140 H CB -0.428 29.390 29.762 0.093 0.000 1.382 140 H HN 0.498 nan 8.280 nan 0.000 0.580 141 I N -2.080 118.329 120.570 -0.268 0.000 3.728 141 I HA 0.203 4.373 4.170 -0.000 0.000 0.307 141 I C -0.157 175.815 176.117 -0.241 0.000 1.276 141 I CA -0.311 60.851 61.300 -0.229 0.000 1.285 141 I CB -0.274 37.496 38.000 -0.383 0.000 1.038 141 I HN 0.070 nan 8.210 nan 0.000 0.445 142 H N 2.341 121.410 119.070 -0.002 0.000 2.505 142 H HA 0.593 5.149 4.556 -0.000 0.000 0.355 142 H C -0.389 174.990 175.328 0.085 0.000 1.179 142 H CA -0.484 55.595 56.048 0.052 0.000 1.343 142 H CB 0.977 30.779 29.762 0.067 0.000 1.501 142 H HN 0.080 nan 8.280 nan 0.000 0.569 143 K N 1.683 122.206 120.400 0.204 0.000 2.581 143 K HA 0.325 4.645 4.320 -0.000 0.000 0.249 143 K C -3.186 173.503 176.600 0.148 0.000 0.966 143 K CA -2.067 54.309 56.287 0.148 0.000 0.811 143 K CB 1.608 34.167 32.500 0.098 0.000 1.223 143 K HN 0.278 nan 8.250 nan 0.000 0.438 144 P HA 0.040 nan 4.420 nan 0.000 0.258 144 P C -0.537 176.826 177.300 0.105 0.000 1.187 144 P CA 0.403 63.571 63.100 0.114 0.000 0.767 144 P CB 0.908 32.662 31.700 0.089 0.000 0.770 145 G N 3.017 111.881 108.800 0.107 0.000 2.772 145 G HA2 0.389 4.348 3.960 -0.000 0.000 0.284 145 G HA3 0.389 4.348 3.960 -0.000 0.000 0.284 145 G C -0.403 174.547 174.900 0.084 0.000 1.217 145 G CA -0.704 44.459 45.100 0.105 0.000 0.831 145 G HN 0.387 nan 8.290 nan 0.000 0.523 146 K N -0.940 119.506 120.400 0.077 0.000 2.374 146 K HA 0.483 4.803 4.320 -0.000 0.000 0.202 146 K C -0.324 176.249 176.600 -0.045 0.000 1.040 146 K CA -0.052 56.249 56.287 0.023 0.000 1.085 146 K CB 1.158 33.670 32.500 0.020 0.000 0.873 146 K HN 0.155 nan 8.250 nan 0.000 0.539 147 V N 1.954 121.847 119.914 -0.035 0.000 2.370 147 V HA 0.438 4.558 4.120 -0.000 0.000 0.279 147 V C 0.417 176.379 176.094 -0.219 0.000 1.029 147 V CA -0.859 61.364 62.300 -0.128 0.000 0.870 147 V CB 1.286 33.072 31.823 -0.062 0.000 0.984 147 V HN 0.341 nan 8.190 nan 0.000 0.451 148 G N 5.052 113.538 108.800 -0.524 0.000 2.338 148 G HA2 0.682 4.642 3.960 -0.000 0.000 0.298 148 G HA3 0.682 4.642 3.960 -0.000 0.000 0.298 148 G C -0.705 173.783 174.900 -0.687 0.000 1.140 148 G CA -0.425 44.023 45.100 -1.087 0.000 0.860 148 G HN 0.640 nan 8.290 nan 0.000 0.470 149 I N 1.775 122.253 120.570 -0.153 0.000 2.465 149 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 149 I C -0.498 175.817 176.117 0.330 0.000 1.014 149 I CA -1.052 60.305 61.300 0.095 0.000 1.093 149 I CB 2.295 40.364 38.000 0.115 0.000 1.267 149 I HN 0.172 nan 8.210 nan 0.000 0.431 150 V N 3.084 123.203 119.914 0.341 0.000 2.604 150 V HA 0.781 4.901 4.120 -0.000 0.000 0.305 150 V C -0.286 175.998 176.094 0.317 0.000 1.043 150 V CA -0.551 61.955 62.300 0.343 0.000 0.888 150 V CB 1.558 33.652 31.823 0.451 0.000 0.995 150 V HN 0.802 nan 8.190 nan 0.000 0.429 151 S N 2.785 118.599 115.700 0.191 0.000 2.537 151 S HA 0.510 4.980 4.470 -0.000 0.000 0.271 151 S C 0.076 174.682 174.600 0.009 0.000 1.148 151 S CA -0.767 57.544 58.200 0.184 0.000 0.868 151 S CB 2.187 65.469 63.200 0.136 0.000 1.115 151 S HN 0.740 nan 8.310 nan 0.000 0.461 152 R N 1.243 121.766 120.500 0.038 0.000 2.310 152 R HA 0.212 4.552 4.340 -0.000 0.000 0.202 152 R C 0.212 176.479 176.300 -0.055 0.000 0.933 152 R CA 0.284 56.331 56.100 -0.089 0.000 1.054 152 R CB 0.405 30.688 30.300 -0.029 0.000 0.985 152 R HN 0.467 nan 8.270 nan 0.000 0.489 153 S N -1.413 114.311 115.700 0.039 0.000 2.557 153 S HA 0.416 4.886 4.470 -0.000 0.000 0.291 153 S C 0.848 175.419 174.600 -0.048 0.000 1.116 153 S CA -0.722 57.534 58.200 0.094 0.000 0.992 153 S CB 1.849 65.152 63.200 0.172 0.000 1.028 153 S HN 0.171 nan 8.310 nan 0.000 0.484 154 G N 2.312 111.043 108.800 -0.115 0.000 2.434 154 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 154 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 154 G C 1.465 175.845 174.900 -0.866 0.000 1.202 154 G CA 1.468 46.336 45.100 -0.387 0.000 0.788 154 G HN 0.971 nan 8.290 nan 0.000 0.539 155 T N 0.236 114.453 114.554 -0.561 0.000 2.788 155 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 155 T C 2.443 176.999 174.700 -0.240 0.000 1.044 155 T CA 1.106 62.931 62.100 -0.458 0.000 1.139 155 T CB -0.355 68.442 68.868 -0.118 0.000 0.867 155 T HN 0.135 nan 8.240 nan 0.000 0.454 156 L N 0.787 121.939 121.223 -0.119 0.000 2.083 156 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 156 L C 3.137 180.005 176.870 -0.003 0.000 1.083 156 L CA 1.461 56.298 54.840 -0.005 0.000 0.752 156 L CB -1.027 41.088 42.059 0.093 0.000 0.899 156 L HN 0.345 nan 8.230 nan 0.000 0.433 157 T N -1.234 113.281 114.554 -0.064 0.000 2.746 157 T HA -0.195 4.154 4.350 -0.000 0.000 0.267 157 T C 1.724 176.512 174.700 0.147 0.000 1.039 157 T CA 1.271 63.395 62.100 0.039 0.000 1.142 157 T CB -0.257 68.641 68.868 0.050 0.000 0.866 157 T HN 0.192 nan 8.240 nan 0.000 0.444 158 Y N 2.052 122.376 120.300 0.040 0.000 2.207 158 Y HA -0.070 4.479 4.550 -0.000 0.000 0.287 158 Y C 2.529 178.412 175.900 -0.028 0.000 1.156 158 Y CA 0.044 58.138 58.100 -0.009 0.000 1.182 158 Y CB -0.918 37.544 38.460 0.003 0.000 0.979 158 Y HN 0.305 nan 8.280 nan 0.000 0.521 159 E N -0.130 120.151 120.200 0.134 0.000 2.051 159 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 159 E C 2.465 179.082 176.600 0.030 0.000 0.991 159 E CA 1.198 57.632 56.400 0.057 0.000 0.799 159 E CB -0.443 29.263 29.700 0.011 0.000 0.748 159 E HN 0.410 nan 8.360 nan 0.000 0.449 160 A N 1.131 123.973 122.820 0.037 0.000 1.972 160 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 160 A C 2.567 180.170 177.584 0.031 0.000 1.169 160 A CA 1.042 53.094 52.037 0.025 0.000 0.635 160 A CB -0.474 18.554 19.000 0.048 0.000 0.810 160 A HN 0.105 nan 8.150 nan 0.000 0.446 161 V N 0.157 120.094 119.914 0.039 0.000 2.307 161 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 161 V C 2.515 178.581 176.094 -0.046 0.000 1.045 161 V CA 2.257 64.544 62.300 -0.021 0.000 1.024 161 V CB -0.579 31.153 31.823 -0.152 0.000 0.651 161 V HN 0.661 nan 8.190 nan 0.000 0.449 162 K N -0.141 120.239 120.400 -0.034 0.000 1.991 162 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 162 K C 2.284 178.896 176.600 0.021 0.000 1.049 162 K CA 2.121 58.399 56.287 -0.016 0.000 0.932 162 K CB -0.223 32.283 32.500 0.009 0.000 0.717 162 K HN 0.513 nan 8.250 nan 0.000 0.441 163 Q N -0.332 119.480 119.800 0.020 0.000 2.045 163 Q HA -0.187 4.152 4.340 -0.000 0.000 0.206 163 Q C 2.112 178.123 176.000 0.019 0.000 0.991 163 Q CA 2.665 58.478 55.803 0.016 0.000 0.851 163 Q CB -0.405 28.289 28.738 -0.074 0.000 0.911 163 Q HN 0.604 nan 8.270 nan 0.000 0.418 164 T N -2.732 111.838 114.554 0.028 0.000 2.962 164 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 164 T C 1.833 176.586 174.700 0.089 0.000 1.088 164 T CA 1.484 63.654 62.100 0.116 0.000 1.127 164 T CB -0.252 68.710 68.868 0.157 0.000 0.883 164 T HN 0.105 nan 8.240 nan 0.000 0.493 165 T N 1.752 116.337 114.554 0.052 0.000 2.851 165 T HA -0.020 4.330 4.350 -0.000 0.000 0.262 165 T C 1.625 176.338 174.700 0.021 0.000 1.043 165 T CA 1.091 63.214 62.100 0.038 0.000 1.140 165 T CB -0.413 68.465 68.868 0.016 0.000 0.872 165 T HN 0.383 nan 8.240 nan 0.000 0.446 166 D N 0.522 120.953 120.400 0.051 0.000 2.144 166 D HA -0.053 4.587 4.640 -0.000 0.000 0.199 166 D C 1.258 177.557 176.300 -0.002 0.000 0.984 166 D CA 1.042 55.071 54.000 0.048 0.000 0.834 166 D CB -0.241 40.620 40.800 0.100 0.000 0.955 166 D HN 0.412 nan 8.370 nan 0.000 0.465 167 Y N -0.050 120.076 120.300 -0.291 0.000 2.529 167 Y HA 0.228 4.778 4.550 -0.000 0.000 0.290 167 Y C 1.991 177.466 175.900 -0.708 0.000 1.177 167 Y CA 0.416 58.177 58.100 -0.565 0.000 1.305 167 Y CB 0.040 37.967 38.460 -0.888 0.000 1.047 167 Y HN 0.062 nan 8.280 nan 0.000 0.522 168 G N -1.120 107.529 108.800 -0.251 0.000 2.179 168 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.260 168 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.260 168 G C 0.939 175.820 174.900 -0.031 0.000 0.977 168 G CA 0.588 45.602 45.100 -0.144 0.000 0.641 168 G HN 0.317 nan 8.290 nan 0.000 0.533 169 F N 1.290 121.295 119.950 0.091 0.000 2.146 169 F HA 0.340 4.867 4.527 -0.000 0.000 0.298 169 F C 2.291 178.118 175.800 0.044 0.000 1.096 169 F CA 1.662 59.696 58.000 0.056 0.000 1.275 169 F CB -1.080 37.942 39.000 0.037 0.000 1.008 169 F HN 1.206 nan 8.300 nan 0.000 0.480 170 G N -0.112 108.824 108.800 0.227 0.000 2.796 170 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.226 170 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.226 170 G C -0.954 174.035 174.900 0.148 0.000 1.381 170 G CA -0.725 44.468 45.100 0.156 0.000 0.867 170 G HN 0.364 nan 8.290 nan 0.000 0.552 171 Q N -0.644 119.238 119.800 0.136 0.000 2.353 171 Q HA 0.687 5.026 4.340 -0.000 0.000 0.268 171 Q C 1.103 177.168 176.000 0.108 0.000 1.045 171 Q CA -0.138 55.735 55.803 0.118 0.000 0.811 171 Q CB 1.986 30.825 28.738 0.169 0.000 1.305 171 Q HN 0.940 nan 8.270 nan 0.000 0.447 172 S N 0.423 116.166 115.700 0.071 0.000 2.317 172 S HA 0.145 4.615 4.470 -0.000 0.000 0.212 172 S C 0.436 175.127 174.600 0.153 0.000 1.030 172 S CA 0.564 58.825 58.200 0.101 0.000 0.970 172 S CB 0.101 63.351 63.200 0.083 0.000 0.928 172 S HN 0.533 nan 8.310 nan 0.000 0.451 173 T N 0.634 115.319 114.554 0.218 0.000 2.933 173 T HA 0.567 4.917 4.350 -0.000 0.000 0.305 173 T C -1.345 173.539 174.700 0.307 0.000 1.092 173 T CA -0.612 61.641 62.100 0.255 0.000 1.008 173 T CB 1.564 70.605 68.868 0.290 0.000 1.102 173 T HN 0.459 nan 8.240 nan 0.000 0.469 174 C N 2.858 122.287 119.300 0.215 0.000 2.322 174 C HA 0.785 5.245 4.460 -0.000 0.000 0.324 174 C C -0.021 175.072 174.990 0.172 0.000 1.284 174 C CA -0.723 58.431 59.018 0.227 0.000 1.606 174 C CB 0.314 28.188 27.740 0.223 0.000 2.251 174 C HN 0.696 nan 8.230 nan 0.000 0.502 175 V N 2.899 122.924 119.914 0.187 0.000 2.407 175 V HA 0.621 4.741 4.120 -0.000 0.000 0.291 175 V C 0.596 176.716 176.094 0.044 0.000 1.018 175 V CA -0.136 62.209 62.300 0.075 0.000 0.842 175 V CB 1.592 33.424 31.823 0.014 0.000 0.996 175 V HN 1.078 nan 8.190 nan 0.000 0.426 176 G N 4.237 113.038 108.800 0.002 0.000 2.457 176 G HA2 0.445 4.404 3.960 -0.000 0.000 0.316 176 G HA3 0.445 4.404 3.960 -0.000 0.000 0.316 176 G C 0.819 175.654 174.900 -0.109 0.000 1.030 176 G CA -0.420 44.658 45.100 -0.037 0.000 1.073 176 G HN 0.933 nan 8.290 nan 0.000 0.430 177 I N 1.251 121.720 120.570 -0.168 0.000 3.001 177 I HA 0.319 4.489 4.170 -0.000 0.000 0.268 177 I C 1.093 177.068 176.117 -0.238 0.000 1.267 177 I CA 0.404 61.561 61.300 -0.239 0.000 1.472 177 I CB -0.646 37.124 38.000 -0.383 0.000 1.089 177 I HN 0.636 nan 8.210 nan 0.000 0.468 178 G N 0.822 109.487 108.800 -0.227 0.000 2.707 178 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.686 178 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.686 178 G C 0.203 174.892 174.900 -0.351 0.000 1.315 178 G CA -0.493 44.451 45.100 -0.260 0.000 0.832 178 G HN 0.541 nan 8.290 nan 0.000 0.573 179 G N -0.372 108.123 108.800 -0.509 0.000 3.434 179 G HA2 0.462 4.422 3.960 -0.000 0.000 0.258 179 G HA3 0.462 4.422 3.960 -0.000 0.000 0.258 179 G C 0.037 174.755 174.900 -0.302 0.000 1.128 179 G CA 0.632 45.338 45.100 -0.657 0.000 0.792 179 G HN 0.658 nan 8.290 nan 0.000 0.539 180 D N 0.558 120.830 120.400 -0.213 0.000 2.348 180 D HA 0.241 4.881 4.640 -0.000 0.000 0.249 180 D C -0.981 175.258 176.300 -0.101 0.000 1.110 180 D CA -1.924 52.001 54.000 -0.125 0.000 0.967 180 D CB 2.099 42.833 40.800 -0.110 0.000 1.139 180 D HN -0.060 nan 8.370 nan 0.000 0.466 181 P HA 0.012 nan 4.420 nan 0.000 0.221 181 P C 0.264 177.525 177.300 -0.064 0.000 1.150 181 P CA 0.911 63.978 63.100 -0.054 0.000 0.800 181 P CB 0.765 32.444 31.700 -0.035 0.000 0.787 182 I N 2.181 122.708 120.570 -0.072 0.000 2.595 182 I HA 0.277 4.447 4.170 -0.000 0.000 0.275 182 I C -2.399 173.663 176.117 -0.092 0.000 1.092 182 I CA -2.453 58.803 61.300 -0.074 0.000 1.145 182 I CB 2.123 40.087 38.000 -0.059 0.000 1.276 182 I HN -0.138 nan 8.210 nan 0.000 0.497 183 P HA 0.179 nan 4.420 nan 0.000 0.278 183 P C 0.810 178.036 177.300 -0.123 0.000 1.258 183 P CA -0.190 62.828 63.100 -0.137 0.000 0.811 183 P CB 1.622 33.211 31.700 -0.185 0.000 1.063 184 G N 0.515 109.242 108.800 -0.123 0.000 2.421 184 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.217 184 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.217 184 G C 0.269 175.097 174.900 -0.120 0.000 1.143 184 G CA 0.419 45.453 45.100 -0.109 0.000 0.784 184 G HN 0.557 nan 8.290 nan 0.000 0.541 185 S N -0.063 115.549 115.700 -0.147 0.000 2.521 185 S HA 0.520 4.990 4.470 -0.000 0.000 0.295 185 S C -0.693 173.783 174.600 -0.206 0.000 1.098 185 S CA -0.801 57.302 58.200 -0.162 0.000 0.999 185 S CB 2.280 65.382 63.200 -0.163 0.000 1.034 185 S HN 0.226 nan 8.310 nan 0.000 0.483 186 N N 0.059 118.643 118.700 -0.194 0.000 2.671 186 N HA 0.496 5.236 4.740 -0.000 0.000 0.303 186 N C 0.648 176.032 175.510 -0.211 0.000 1.277 186 N CA -0.841 52.065 53.050 -0.241 0.000 0.933 186 N CB 0.332 38.726 38.487 -0.155 0.000 1.190 186 N HN 0.385 nan 8.380 nan 0.000 0.600 187 F N 1.009 120.905 119.950 -0.091 0.000 2.065 187 F HA -0.090 4.436 4.527 -0.001 0.000 0.298 187 F C 2.337 178.064 175.800 -0.122 0.000 1.112 187 F CA 1.056 59.015 58.000 -0.070 0.000 1.212 187 F CB -0.511 38.467 39.000 -0.038 0.000 0.975 187 F HN 0.418 nan 8.300 nan 0.000 0.476 188 I N -0.052 120.516 120.570 -0.004 0.000 2.194 188 I HA -0.350 3.820 4.170 -0.000 0.000 0.246 188 I C 2.116 178.016 176.117 -0.362 0.000 1.093 188 I CA 1.577 62.673 61.300 -0.340 0.000 1.355 188 I CB -0.529 37.202 38.000 -0.449 0.000 1.046 188 I HN 0.155 nan 8.210 nan 0.000 0.413 189 D N 0.813 121.073 120.400 -0.233 0.000 2.104 189 D HA -0.166 4.473 4.640 -0.000 0.000 0.194 189 D C 2.196 178.387 176.300 -0.183 0.000 0.994 189 D CA 1.388 55.266 54.000 -0.204 0.000 0.830 189 D CB -0.114 40.583 40.800 -0.171 0.000 0.959 189 D HN 0.268 nan 8.370 nan 0.000 0.452 190 I N 0.926 121.397 120.570 -0.165 0.000 2.286 190 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 190 I C 2.665 178.678 176.117 -0.173 0.000 1.104 190 I CA 0.532 61.689 61.300 -0.238 0.000 1.397 190 I CB -1.120 36.762 38.000 -0.196 0.000 1.072 190 I HN 0.017 nan 8.210 nan 0.000 0.417 191 L N 0.585 121.835 121.223 0.045 0.000 2.042 191 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 191 L C 2.606 179.605 176.870 0.214 0.000 1.076 191 L CA 1.690 56.668 54.840 0.230 0.000 0.749 191 L CB -0.594 41.633 42.059 0.281 0.000 0.893 191 L HN 0.319 nan 8.230 nan 0.000 0.432 192 E N 0.289 120.554 120.200 0.108 0.000 2.118 192 E HA -0.259 4.091 4.350 -0.000 0.000 0.195 192 E C 2.283 178.922 176.600 0.065 0.000 0.992 192 E CA 1.328 57.819 56.400 0.152 0.000 0.804 192 E CB -0.043 29.687 29.700 0.050 0.000 0.741 192 E HN 0.457 nan 8.360 nan 0.000 0.458 193 M N -0.473 119.091 119.600 -0.059 0.000 2.229 193 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 193 M C 1.661 177.950 176.300 -0.019 0.000 1.063 193 M CA 0.934 56.171 55.300 -0.105 0.000 1.114 193 M CB -0.078 32.364 32.600 -0.262 0.000 1.387 193 M HN 0.114 nan 8.290 nan 0.000 0.420 194 F N 0.703 120.686 119.950 0.055 0.000 2.163 194 F HA -0.118 4.409 4.527 -0.000 0.000 0.297 194 F C 2.526 178.359 175.800 0.055 0.000 1.094 194 F CA 1.408 59.441 58.000 0.054 0.000 1.290 194 F CB -0.884 38.152 39.000 0.060 0.000 1.017 194 F HN 0.140 nan 8.300 nan 0.000 0.483 195 E N 1.095 121.456 120.200 0.268 0.000 2.118 195 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 195 E C 2.004 178.680 176.600 0.126 0.000 0.992 195 E CA 1.566 58.069 56.400 0.173 0.000 0.804 195 E CB -0.315 29.484 29.700 0.165 0.000 0.741 195 E HN 0.304 nan 8.360 nan 0.000 0.458 196 K N 0.108 120.577 120.400 0.115 0.000 2.487 196 K HA -0.065 4.255 4.320 -0.000 0.000 0.192 196 K C -0.369 176.279 176.600 0.080 0.000 1.027 196 K CA 0.490 56.825 56.287 0.079 0.000 1.054 196 K CB 0.050 32.583 32.500 0.055 0.000 0.824 196 K HN 0.024 nan 8.250 nan 0.000 0.510 197 D N 1.384 121.855 120.400 0.118 0.000 2.347 197 D HA 0.097 4.737 4.640 -0.000 0.000 0.235 197 D C -1.503 174.856 176.300 0.098 0.000 1.149 197 D CA -2.604 51.467 54.000 0.118 0.000 0.850 197 D CB 1.627 42.537 40.800 0.183 0.000 1.061 197 D HN -0.038 nan 8.370 nan 0.000 0.487 198 P HA -0.256 nan 4.420 nan 0.000 0.216 198 P C 1.246 178.577 177.300 0.053 0.000 1.153 198 P CA 1.175 64.307 63.100 0.053 0.000 0.858 198 P CB 0.239 31.965 31.700 0.043 0.000 0.789 199 Q N -0.124 119.714 119.800 0.063 0.000 2.291 199 Q HA -0.054 4.286 4.340 -0.000 0.000 0.206 199 Q C -0.017 176.013 176.000 0.049 0.000 0.976 199 Q CA 0.859 56.697 55.803 0.059 0.000 0.875 199 Q CB -0.335 28.446 28.738 0.071 0.000 0.927 199 Q HN 0.128 nan 8.270 nan 0.000 0.450 200 T N 1.123 115.713 114.554 0.059 0.000 2.728 200 T HA 0.133 4.483 4.350 -0.000 0.000 0.296 200 T C -0.076 174.610 174.700 -0.023 0.000 0.940 200 T CA -0.280 61.821 62.100 0.001 0.000 1.013 200 T CB 1.284 70.168 68.868 0.027 0.000 0.912 200 T HN 0.262 nan 8.240 nan 0.000 0.484 201 E N 1.513 121.676 120.200 -0.061 0.000 2.389 201 E HA 0.361 4.710 4.350 -0.000 0.000 0.199 201 E C 0.596 177.134 176.600 -0.103 0.000 0.978 201 E CA -0.150 56.211 56.400 -0.064 0.000 0.912 201 E CB 0.620 30.284 29.700 -0.059 0.000 0.907 201 E HN 0.661 nan 8.360 nan 0.000 0.494 202 A N 0.875 123.603 122.820 -0.154 0.000 2.587 202 A HA 0.684 5.004 4.320 -0.000 0.000 0.293 202 A C -1.372 176.079 177.584 -0.222 0.000 1.087 202 A CA -0.645 51.289 52.037 -0.172 0.000 0.692 202 A CB 1.218 20.087 19.000 -0.219 0.000 1.291 202 A HN 0.061 nan 8.150 nan 0.000 0.407 203 I N 0.951 121.415 120.570 -0.178 0.000 2.465 203 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 203 I C -0.847 175.204 176.117 -0.111 0.000 1.014 203 I CA -0.961 60.215 61.300 -0.206 0.000 1.093 203 I CB 2.113 40.052 38.000 -0.102 0.000 1.267 203 I HN 0.302 nan 8.210 nan 0.000 0.431 204 V N 6.810 126.665 119.914 -0.099 0.000 2.370 204 V HA 0.398 4.517 4.120 -0.000 0.000 0.283 204 V C -0.054 176.068 176.094 0.047 0.000 1.023 204 V CA -0.449 61.840 62.300 -0.017 0.000 0.857 204 V CB 1.578 33.401 31.823 -0.000 0.000 0.985 204 V HN 0.685 nan 8.190 nan 0.000 0.443 205 M N 6.987 126.611 119.600 0.039 0.000 2.114 205 M HA 0.601 5.081 4.480 -0.000 0.000 0.332 205 M C -1.490 174.816 176.300 0.010 0.000 1.014 205 M CA -0.387 54.934 55.300 0.036 0.000 0.956 205 M CB 0.971 33.505 32.600 -0.111 0.000 1.551 205 M HN 0.522 nan 8.290 nan 0.000 0.427 206 I N 4.871 125.525 120.570 0.139 0.000 2.382 206 I HA 0.564 4.734 4.170 -0.000 0.000 0.286 206 I C 0.357 176.589 176.117 0.192 0.000 1.002 206 I CA -0.497 60.883 61.300 0.133 0.000 1.135 206 I CB 1.647 39.763 38.000 0.194 0.000 1.288 206 I HN 0.816 nan 8.210 nan 0.000 0.448 207 G N 4.939 113.729 108.800 -0.018 0.000 3.175 207 G HA2 0.855 4.814 3.960 -0.000 0.000 0.255 207 G HA3 0.855 4.814 3.960 -0.000 0.000 0.255 207 G C -1.092 173.761 174.900 -0.077 0.000 1.352 207 G CA -0.290 44.853 45.100 0.071 0.000 1.037 207 G HN 0.642 nan 8.290 nan 0.000 0.556 208 E N -2.022 118.147 120.200 -0.051 0.000 2.377 208 E HA 0.370 4.719 4.350 -0.000 0.000 0.266 208 E C -0.400 176.162 176.600 -0.062 0.000 1.111 208 E CA -0.971 55.378 56.400 -0.084 0.000 0.889 208 E CB 0.832 30.539 29.700 0.011 0.000 1.644 208 E HN 0.728 nan 8.360 nan 0.000 0.464 209 I N -1.019 119.524 120.570 -0.045 0.000 3.112 209 I HA 0.550 4.720 4.170 -0.000 0.000 0.284 209 I C 0.693 176.809 176.117 -0.001 0.000 1.227 209 I CA 0.581 61.864 61.300 -0.029 0.000 1.369 209 I CB -0.102 37.888 38.000 -0.017 0.000 1.376 209 I HN 0.862 nan 8.210 nan 0.000 0.608 210 G N 1.939 110.737 108.800 -0.003 0.000 2.777 210 G HA2 0.421 4.381 3.960 -0.000 0.000 0.686 210 G HA3 0.421 4.381 3.960 -0.000 0.000 0.686 210 G C 0.063 174.968 174.900 0.009 0.000 1.177 210 G CA -0.327 44.776 45.100 0.005 0.000 0.775 210 G HN 2.494 nan 8.290 nan 0.000 0.613 211 G N 0.304 109.107 108.800 0.005 0.000 2.645 211 G HA2 0.328 4.288 3.960 -0.000 0.000 0.246 211 G HA3 0.328 4.288 3.960 -0.000 0.000 0.246 211 G C 0.902 175.809 174.900 0.012 0.000 1.322 211 G CA 1.229 46.333 45.100 0.007 0.000 0.898 211 G HN 2.660 nan 8.290 nan 0.000 0.573 212 S N -2.207 113.505 115.700 0.021 0.000 3.067 212 S HA 0.628 5.098 4.470 -0.000 0.000 0.253 212 S C 1.654 176.281 174.600 0.044 0.000 0.942 212 S CA 1.063 59.276 58.200 0.021 0.000 1.197 212 S CB 0.584 63.792 63.200 0.013 0.000 1.143 212 S HN 2.217 nan 8.310 nan 0.000 0.638 213 A N 2.050 124.920 122.820 0.083 0.000 1.972 213 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 213 A C 1.967 179.664 177.584 0.189 0.000 1.169 213 A CA 1.788 53.921 52.037 0.159 0.000 0.635 213 A CB -0.533 18.596 19.000 0.216 0.000 0.810 213 A HN 0.526 nan 8.150 nan 0.000 0.446 214 E N -0.116 120.136 120.200 0.087 0.000 2.072 214 E HA -0.096 4.253 4.350 -0.000 0.000 0.190 214 E C 1.919 178.464 176.600 -0.093 0.000 0.982 214 E CA 1.329 57.642 56.400 -0.144 0.000 0.803 214 E CB -0.205 29.348 29.700 -0.245 0.000 0.755 214 E HN 0.691 nan 8.360 nan 0.000 0.453 215 E N 0.739 120.917 120.200 -0.037 0.000 2.110 215 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 215 E C 1.714 178.322 176.600 0.013 0.000 0.988 215 E CA 1.212 57.601 56.400 -0.018 0.000 0.804 215 E CB -0.007 29.689 29.700 -0.006 0.000 0.745 215 E HN 0.323 nan 8.360 nan 0.000 0.458 216 E N -0.034 120.186 120.200 0.033 0.000 2.158 216 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 216 E C 1.975 178.632 176.600 0.094 0.000 0.982 216 E CA 0.670 57.107 56.400 0.061 0.000 0.823 216 E CB -0.019 29.713 29.700 0.054 0.000 0.766 216 E HN 0.255 nan 8.360 nan 0.000 0.468 217 A N 1.556 124.418 122.820 0.071 0.000 1.969 217 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 217 A C 2.337 179.989 177.584 0.114 0.000 1.169 217 A CA 1.418 53.514 52.037 0.098 0.000 0.635 217 A CB -0.480 18.523 19.000 0.005 0.000 0.810 217 A HN 0.279 nan 8.150 nan 0.000 0.445 218 A N 0.234 123.074 122.820 0.034 0.000 1.835 218 A HA 0.120 4.440 4.320 -0.000 0.000 0.215 218 A C 2.560 180.179 177.584 0.058 0.000 1.199 218 A CA 2.335 54.385 52.037 0.021 0.000 0.615 218 A CB -1.329 17.665 19.000 -0.010 0.000 0.838 218 A HN 1.158 nan 8.150 nan 0.000 0.444 219 A N -1.702 121.158 122.820 0.067 0.000 1.948 219 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 219 A C 2.171 179.820 177.584 0.107 0.000 1.177 219 A CA 2.024 54.102 52.037 0.068 0.000 0.636 219 A CB -0.883 18.160 19.000 0.072 0.000 0.815 219 A HN 0.821 nan 8.150 nan 0.000 0.449 220 Y N 0.140 120.471 120.300 0.052 0.000 2.163 220 Y HA -0.146 4.404 4.550 -0.001 0.000 0.288 220 Y C 2.046 178.004 175.900 0.097 0.000 1.136 220 Y CA 1.688 59.852 58.100 0.106 0.000 1.147 220 Y CB -0.293 38.227 38.460 0.100 0.000 0.987 220 Y HN 0.259 nan 8.280 nan 0.000 0.509 221 I N 0.619 121.272 120.570 0.138 0.000 2.151 221 I HA -0.391 3.779 4.170 -0.000 0.000 0.243 221 I C 2.641 178.710 176.117 -0.080 0.000 1.080 221 I CA 1.989 63.306 61.300 0.029 0.000 1.339 221 I CB -0.505 37.538 38.000 0.071 0.000 1.039 221 I HN 0.202 nan 8.210 nan 0.000 0.409 222 K N 0.877 121.240 120.400 -0.061 0.000 2.044 222 K HA -0.304 4.015 4.320 -0.000 0.000 0.210 222 K C 2.059 178.566 176.600 -0.155 0.000 1.049 222 K CA 2.384 58.622 56.287 -0.082 0.000 0.927 222 K CB -0.101 32.365 32.500 -0.056 0.000 0.713 222 K HN 0.412 nan 8.250 nan 0.000 0.443 223 E N -1.424 118.633 120.200 -0.238 0.000 2.250 223 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 223 E C 1.136 177.338 176.600 -0.664 0.000 0.986 223 E CA 0.684 56.829 56.400 -0.426 0.000 0.849 223 E CB 0.280 29.700 29.700 -0.467 0.000 0.797 223 E HN 0.426 nan 8.360 nan 0.000 0.482 224 H N -0.898 117.921 119.070 -0.419 0.000 3.058 224 H HA 0.273 4.829 4.556 -0.001 0.000 0.266 224 H C -0.582 174.566 175.328 -0.301 0.000 1.135 224 H CA 0.012 55.794 56.048 -0.443 0.000 1.174 224 H CB 1.390 30.685 29.762 -0.778 0.000 1.581 224 H HN -0.034 nan 8.280 nan 0.000 0.553 225 V N 2.728 122.561 119.914 -0.135 0.000 2.370 225 V HA 0.102 4.221 4.120 -0.000 0.000 0.283 225 V C 1.391 177.474 176.094 -0.018 0.000 1.023 225 V CA 0.035 62.327 62.300 -0.013 0.000 0.857 225 V CB 1.749 33.606 31.823 0.057 0.000 0.985 225 V HN 0.408 nan 8.190 nan 0.000 0.443 226 T N 1.303 115.858 114.554 0.001 0.000 3.040 226 T HA 0.189 4.538 4.350 -0.000 0.000 0.252 226 T C 0.725 175.422 174.700 -0.004 0.000 1.064 226 T CA -0.003 62.092 62.100 -0.009 0.000 1.110 226 T CB 0.087 68.952 68.868 -0.006 0.000 0.921 226 T HN 0.487 nan 8.240 nan 0.000 0.480 227 K N 3.084 123.490 120.400 0.009 0.000 2.319 227 K HA 0.262 4.582 4.320 -0.000 0.000 0.265 227 K C -2.466 174.124 176.600 -0.016 0.000 1.000 227 K CA -1.602 54.682 56.287 -0.004 0.000 0.943 227 K CB 0.012 32.515 32.500 0.005 0.000 0.950 227 K HN 0.261 nan 8.250 nan 0.000 0.485 228 P HA 0.055 nan 4.420 nan 0.000 0.271 228 P C -0.798 176.473 177.300 -0.048 0.000 1.216 228 P CA -0.185 62.888 63.100 -0.045 0.000 0.776 228 P CB 0.791 32.451 31.700 -0.066 0.000 0.881 229 V N 4.042 123.937 119.914 -0.031 0.000 2.487 229 V HA 0.247 4.366 4.120 -0.000 0.000 0.298 229 V C 0.262 176.343 176.094 -0.022 0.000 1.028 229 V CA -0.790 61.495 62.300 -0.026 0.000 0.860 229 V CB 2.235 34.057 31.823 -0.002 0.000 0.991 229 V HN 0.280 nan 8.190 nan 0.000 0.427 230 V N 3.826 123.725 119.914 -0.025 0.000 2.398 230 V HA 0.786 4.906 4.120 -0.000 0.000 0.286 230 V C 0.682 176.790 176.094 0.023 0.000 1.026 230 V CA -0.093 62.207 62.300 0.000 0.000 0.868 230 V CB 1.707 33.523 31.823 -0.013 0.000 0.982 230 V HN 0.984 nan 8.190 nan 0.000 0.443 231 G N 3.333 112.164 108.800 0.051 0.000 2.420 231 G HA2 0.618 4.577 3.960 -0.000 0.000 0.331 231 G HA3 0.618 4.577 3.960 -0.000 0.000 0.331 231 G C -1.946 173.047 174.900 0.154 0.000 1.168 231 G CA -0.446 44.676 45.100 0.037 0.000 0.936 231 G HN 0.574 nan 8.290 nan 0.000 0.479 232 Y N 2.150 122.417 120.300 -0.054 0.000 2.396 232 Y HA 0.585 5.135 4.550 -0.000 0.000 0.332 232 Y C -1.350 174.402 175.900 -0.247 0.000 1.034 232 Y CA -1.676 56.411 58.100 -0.021 0.000 1.057 232 Y CB 1.558 40.051 38.460 0.055 0.000 1.220 232 Y HN 0.369 nan 8.280 nan 0.000 0.440 233 I N 5.819 125.478 120.570 -1.519 0.000 2.389 233 I HA 0.603 4.772 4.170 -0.000 0.000 0.288 233 I C 0.014 175.453 176.117 -1.130 0.000 0.999 233 I CA -0.789 59.754 61.300 -1.261 0.000 1.129 233 I CB 1.010 38.160 38.000 -1.416 0.000 1.288 233 I HN 0.811 nan 8.210 nan 0.000 0.444 234 A N 3.802 126.238 122.820 -0.640 0.000 2.293 234 A HA 0.750 5.070 4.320 -0.000 0.000 0.302 234 A C 0.871 178.386 177.584 -0.114 0.000 1.119 234 A CA 0.355 52.251 52.037 -0.234 0.000 0.823 234 A CB 0.920 19.924 19.000 0.007 0.000 1.097 234 A HN 1.315 nan 8.150 nan 0.000 0.491 235 G N 0.083 108.878 108.800 -0.009 0.000 2.159 235 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.170 235 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.170 235 G C 0.683 175.601 174.900 0.030 0.000 1.007 235 G CA 0.255 45.356 45.100 0.002 0.000 0.672 235 G HN 1.074 nan 8.290 nan 0.000 0.507 236 V N 1.430 121.390 119.914 0.076 0.000 2.380 236 V HA -0.181 3.939 4.120 -0.000 0.000 0.251 236 V C 2.875 179.005 176.094 0.060 0.000 1.063 236 V CA 3.186 65.545 62.300 0.098 0.000 1.055 236 V CB -0.631 31.277 31.823 0.142 0.000 0.657 236 V HN 0.986 nan 8.190 nan 0.000 0.455 237 T N -2.039 112.547 114.554 0.054 0.000 3.188 237 T HA 0.455 4.805 4.350 -0.000 0.000 0.250 237 T C 0.536 175.251 174.700 0.025 0.000 1.077 237 T CA 0.436 62.558 62.100 0.037 0.000 0.967 237 T CB -0.150 68.740 68.868 0.038 0.000 1.006 237 T HN 0.429 nan 8.240 nan 0.000 0.552 238 A N 3.535 126.369 122.820 0.022 0.000 2.401 238 A HA 0.597 4.917 4.320 -0.000 0.000 0.259 238 A C -1.595 175.995 177.584 0.010 0.000 1.103 238 A CA -1.473 50.571 52.037 0.012 0.000 0.789 238 A CB 0.054 19.057 19.000 0.006 0.000 1.035 238 A HN 0.402 nan 8.150 nan 0.000 0.491 239 P HA 0.214 nan 4.420 nan 0.000 0.273 239 P C -0.607 176.696 177.300 0.005 0.000 1.250 239 P CA -0.175 62.929 63.100 0.006 0.000 0.793 239 P CB 0.593 32.296 31.700 0.005 0.000 1.011 240 K N -0.764 119.639 120.400 0.005 0.000 2.087 240 K HA 0.449 4.768 4.320 -0.000 0.000 0.255 240 K C 0.859 177.461 176.600 0.003 0.000 0.988 240 K CA 0.031 56.321 56.287 0.004 0.000 0.915 240 K CB 0.196 32.698 32.500 0.004 0.000 1.043 240 K HN 0.767 nan 8.250 nan 0.000 0.457 241 G N 1.554 110.356 108.800 0.002 0.000 2.283 241 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.280 241 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.280 241 G C -0.287 174.614 174.900 0.001 0.000 1.029 241 G CA 0.367 45.468 45.100 0.002 0.000 0.840 241 G HN 0.258 nan 8.290 nan 0.000 0.505 242 K N -0.319 120.081 120.400 0.002 0.000 2.507 242 K HA 0.379 4.698 4.320 -0.000 0.000 0.251 242 K C 0.206 176.807 176.600 0.001 0.000 0.943 242 K CA -1.021 55.266 56.287 0.001 0.000 0.794 242 K CB 1.406 33.907 32.500 0.000 0.000 1.188 242 K HN 0.359 nan 8.250 nan 0.000 0.428 243 R N 3.912 124.413 120.500 0.002 0.000 2.449 243 R HA 0.130 4.470 4.340 -0.000 0.000 0.296 243 R C -0.158 176.140 176.300 -0.004 0.000 1.047 243 R CA 0.033 56.136 56.100 0.004 0.000 1.018 243 R CB 0.415 30.719 30.300 0.007 0.000 0.962 243 R HN 0.349 nan 8.270 nan 0.000 0.428 244 M N 5.501 125.095 119.600 -0.010 0.000 3.028 244 M HA 0.177 4.656 4.480 -0.000 0.000 0.296 244 M C 0.983 177.240 176.300 -0.072 0.000 1.314 244 M CA 0.105 55.385 55.300 -0.035 0.000 1.383 244 M CB -0.029 32.548 32.600 -0.038 0.000 1.128 244 M HN 1.041 nan 8.290 nan 0.000 0.544 245 G N 1.650 110.419 108.800 -0.053 0.000 5.306 245 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.318 245 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.318 245 G C 0.137 175.039 174.900 0.004 0.000 1.413 245 G CA -0.029 45.027 45.100 -0.073 0.000 0.981 245 G HN 0.698 nan 8.290 nan 0.000 0.788 246 H N 1.825 120.886 119.070 -0.013 0.000 2.928 246 H HA 0.390 4.946 4.556 -0.000 0.000 0.338 246 H C 1.766 177.081 175.328 -0.021 0.000 1.047 246 H CA 0.083 56.119 56.048 -0.021 0.000 1.435 246 H CB 1.241 30.987 29.762 -0.025 0.000 1.428 246 H HN 0.725 nan 8.280 nan 0.000 0.590 247 A N 3.594 126.477 122.820 0.105 0.000 1.948 247 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 247 A C 2.484 180.088 177.584 0.034 0.000 1.177 247 A CA 1.833 53.895 52.037 0.040 0.000 0.636 247 A CB -0.943 18.060 19.000 0.006 0.000 0.815 247 A HN 0.888 nan 8.150 nan 0.000 0.449 248 G N -1.271 107.549 108.800 0.032 0.000 2.744 248 G HA2 0.302 4.261 3.960 -0.000 0.000 0.211 248 G HA3 0.302 4.261 3.960 -0.000 0.000 0.211 248 G C 0.768 175.696 174.900 0.046 0.000 1.143 248 G CA 0.630 45.738 45.100 0.014 0.000 0.788 248 G HN 0.879 nan 8.290 nan 0.000 0.534 249 A N 0.635 123.511 122.820 0.093 0.000 3.063 249 A HA 0.636 4.956 4.320 -0.000 0.000 0.263 249 A C -0.302 177.300 177.584 0.030 0.000 1.736 249 A CA -0.228 51.851 52.037 0.069 0.000 1.408 249 A CB -0.597 18.445 19.000 0.070 0.000 1.108 249 A HN 0.441 nan 8.150 nan 0.000 0.621 250 I N 0.546 121.128 120.570 0.020 0.000 2.692 250 I HA 0.454 4.624 4.170 -0.000 0.000 0.293 250 I C -1.370 174.751 176.117 0.006 0.000 1.200 250 I CA -1.096 60.210 61.300 0.010 0.000 1.036 250 I CB 1.790 39.795 38.000 0.008 0.000 1.258 250 I HN 0.253 nan 8.210 nan 0.000 0.421 251 I N 7.610 128.182 120.570 0.003 0.000 2.281 251 I HA 0.391 4.560 4.170 -0.000 0.000 0.293 251 I C 0.495 176.613 176.117 0.002 0.000 1.085 251 I CA -0.094 61.207 61.300 0.002 0.000 1.257 251 I CB 1.104 39.105 38.000 0.002 0.000 1.430 251 I HN 0.622 nan 8.210 nan 0.000 0.489 252 A N 4.752 127.573 122.820 0.001 0.000 2.301 252 A HA 0.595 4.915 4.320 -0.000 0.000 0.298 252 A C 1.097 178.681 177.584 0.000 0.000 1.185 252 A CA 0.090 52.127 52.037 -0.000 0.000 0.830 252 A CB 0.499 19.498 19.000 -0.001 0.000 1.112 252 A HN 1.060 nan 8.150 nan 0.000 0.508 253 G N 1.354 110.154 108.800 0.000 0.000 2.305 253 G HA2 0.130 4.089 3.960 -0.000 0.000 0.287 253 G HA3 0.130 4.089 3.960 -0.000 0.000 0.287 253 G C 1.554 176.455 174.900 0.001 0.000 1.036 253 G CA 1.122 46.222 45.100 0.001 0.000 0.887 253 G HN 2.735 nan 8.290 nan 0.000 0.505 254 G N -1.745 107.056 108.800 0.002 0.000 2.205 254 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.269 254 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.269 254 G C 0.527 175.429 174.900 0.003 0.000 0.977 254 G CA 1.647 46.748 45.100 0.003 0.000 0.652 254 G HN 1.047 nan 8.290 nan 0.000 0.539 255 K N -0.431 119.970 120.400 0.002 0.000 2.123 255 K HA 0.642 4.961 4.320 -0.000 0.000 0.259 255 K C 0.923 177.523 176.600 -0.000 0.000 0.960 255 K CA 0.245 56.533 56.287 0.002 0.000 0.872 255 K CB 1.424 33.925 32.500 0.001 0.000 1.079 255 K HN 1.292 nan 8.250 nan 0.000 0.440 256 G N 1.017 109.815 108.800 -0.002 0.000 2.203 256 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 256 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 256 G C 0.120 175.012 174.900 -0.013 0.000 1.058 256 G CA 0.185 45.280 45.100 -0.008 0.000 0.781 256 G HN 0.748 nan 8.290 nan 0.000 0.496 257 T N -2.807 111.743 114.554 -0.007 0.000 2.828 257 T HA 0.719 5.068 4.350 -0.000 0.000 0.290 257 T C 1.819 176.509 174.700 -0.017 0.000 1.019 257 T CA 0.430 62.529 62.100 -0.003 0.000 1.031 257 T CB 1.779 70.655 68.868 0.013 0.000 1.001 257 T HN 1.450 nan 8.240 nan 0.000 0.531 258 A N 1.200 124.012 122.820 -0.013 0.000 1.908 258 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 258 A C 2.065 179.690 177.584 0.069 0.000 1.181 258 A CA 1.687 53.695 52.037 -0.048 0.000 0.627 258 A CB -0.974 18.028 19.000 0.003 0.000 0.818 258 A HN 0.920 nan 8.150 nan 0.000 0.445 259 D N -0.250 120.236 120.400 0.142 0.000 2.117 259 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 259 D C 1.911 178.287 176.300 0.127 0.000 0.987 259 D CA 1.492 55.606 54.000 0.189 0.000 0.829 259 D CB -0.397 40.465 40.800 0.103 0.000 0.961 259 D HN 0.674 nan 8.370 nan 0.000 0.460 260 E N 0.663 120.897 120.200 0.056 0.000 2.110 260 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 260 E C 2.012 178.618 176.600 0.010 0.000 0.988 260 E CA 0.815 57.233 56.400 0.029 0.000 0.804 260 E CB 0.054 29.759 29.700 0.010 0.000 0.745 260 E HN 0.256 nan 8.360 nan 0.000 0.458 261 K N 0.034 120.412 120.400 -0.036 0.000 2.062 261 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 261 K C 1.875 178.415 176.600 -0.101 0.000 1.051 261 K CA 0.891 57.108 56.287 -0.117 0.000 0.941 261 K CB -0.131 32.232 32.500 -0.229 0.000 0.719 261 K HN -0.002 nan 8.250 nan 0.000 0.440 262 F N 1.438 121.344 119.950 -0.074 0.000 2.069 262 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 262 F C 2.520 178.294 175.800 -0.044 0.000 1.113 262 F CA 1.481 59.443 58.000 -0.065 0.000 1.214 262 F CB -0.859 38.110 39.000 -0.053 0.000 0.978 262 F HN 0.029 nan 8.300 nan 0.000 0.474 263 A N -0.062 122.865 122.820 0.178 0.000 1.892 263 A HA -0.186 4.133 4.320 -0.000 0.000 0.218 263 A C 2.408 180.022 177.584 0.050 0.000 1.188 263 A CA 2.267 54.356 52.037 0.087 0.000 0.631 263 A CB -1.465 17.571 19.000 0.059 0.000 0.822 263 A HN 0.351 nan 8.150 nan 0.000 0.447 264 A N -0.793 122.045 122.820 0.028 0.000 1.972 264 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 264 A C 2.187 179.772 177.584 0.001 0.000 1.169 264 A CA 1.461 53.502 52.037 0.007 0.000 0.635 264 A CB -0.491 18.503 19.000 -0.009 0.000 0.810 264 A HN 0.483 nan 8.150 nan 0.000 0.446 265 L N -1.085 120.137 121.223 -0.002 0.000 2.072 265 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 265 L C 2.592 179.474 176.870 0.021 0.000 1.079 265 L CA 1.450 56.285 54.840 -0.008 0.000 0.752 265 L CB -0.492 41.548 42.059 -0.031 0.000 0.906 265 L HN 0.432 nan 8.230 nan 0.000 0.436 266 E N 0.227 120.457 120.200 0.050 0.000 2.058 266 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 266 E C 2.187 178.799 176.600 0.020 0.000 0.997 266 E CA 1.338 57.764 56.400 0.043 0.000 0.801 266 E CB -0.232 29.500 29.700 0.052 0.000 0.746 266 E HN 0.478 nan 8.360 nan 0.000 0.450 267 A N 0.688 123.518 122.820 0.017 0.000 2.125 267 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 267 A C 2.066 179.650 177.584 -0.000 0.000 1.156 267 A CA 1.413 53.455 52.037 0.007 0.000 0.671 267 A CB -0.276 18.729 19.000 0.007 0.000 0.794 267 A HN 0.262 nan 8.150 nan 0.000 0.459 268 A N -2.159 120.661 122.820 -0.000 0.000 2.387 268 A HA 0.465 4.785 4.320 -0.000 0.000 0.234 268 A C 1.577 179.154 177.584 -0.011 0.000 1.253 268 A CA 0.976 53.008 52.037 -0.008 0.000 0.894 268 A CB -0.579 18.418 19.000 -0.005 0.000 0.963 268 A HN 1.759 nan 8.150 nan 0.000 0.508 269 G N -1.245 107.552 108.800 -0.005 0.000 2.157 269 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.239 269 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.239 269 G C 0.168 175.066 174.900 -0.002 0.000 0.982 269 G CA 0.073 45.169 45.100 -0.006 0.000 0.650 269 G HN 0.726 nan 8.290 nan 0.000 0.527 270 V N 1.405 121.321 119.914 0.003 0.000 2.686 270 V HA 0.389 4.509 4.120 -0.000 0.000 0.295 270 V C 0.964 177.070 176.094 0.020 0.000 1.055 270 V CA -0.580 61.723 62.300 0.006 0.000 1.050 270 V CB 1.704 33.527 31.823 -0.001 0.000 0.984 270 V HN 0.198 nan 8.190 nan 0.000 0.482 271 K N 4.392 124.802 120.400 0.017 0.000 2.262 271 K HA 0.170 4.490 4.320 -0.000 0.000 0.288 271 K C 0.242 176.878 176.600 0.061 0.000 1.090 271 K CA 0.031 56.334 56.287 0.027 0.000 0.918 271 K CB 0.340 32.845 32.500 0.009 0.000 1.139 271 K HN 0.975 nan 8.250 nan 0.000 0.462 272 T N -0.439 114.172 114.554 0.095 0.000 2.909 272 T HA 0.418 4.767 4.350 -0.000 0.000 0.286 272 T C -0.081 174.715 174.700 0.160 0.000 1.002 272 T CA -0.800 61.414 62.100 0.190 0.000 1.074 272 T CB 1.746 70.812 68.868 0.330 0.000 0.984 272 T HN 0.112 nan 8.240 nan 0.000 0.495 273 V N 3.595 123.668 119.914 0.264 0.000 2.487 273 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 273 V C 0.864 177.135 176.094 0.295 0.000 1.028 273 V CA -0.920 61.492 62.300 0.188 0.000 0.860 273 V CB 1.749 33.657 31.823 0.142 0.000 0.991 273 V HN 0.891 nan 8.190 nan 0.000 0.427 274 R N 2.289 122.824 120.500 0.058 0.000 2.193 274 R HA 0.124 4.464 4.340 -0.000 0.000 0.213 274 R C 0.857 177.276 176.300 0.197 0.000 1.055 274 R CA 0.493 56.594 56.100 0.002 0.000 0.995 274 R CB 0.244 30.439 30.300 -0.174 0.000 0.893 274 R HN 0.570 nan 8.270 nan 0.000 0.459 275 S N 0.774 116.521 115.700 0.079 0.000 2.454 275 S HA 0.197 4.667 4.470 -0.000 0.000 0.306 275 S C 1.102 175.558 174.600 -0.241 0.000 1.100 275 S CA -0.734 57.452 58.200 -0.023 0.000 1.087 275 S CB 1.210 64.394 63.200 -0.027 0.000 1.019 275 S HN 0.187 nan 8.310 nan 0.000 0.480 276 L N 4.245 125.134 121.223 -0.557 0.000 2.450 276 L HA 0.307 4.646 4.340 -0.000 0.000 0.224 276 L C 1.992 178.660 176.870 -0.336 0.000 1.149 276 L CA 1.818 56.163 54.840 -0.826 0.000 0.816 276 L CB -0.740 40.792 42.059 -0.879 0.000 0.932 276 L HN 0.656 nan 8.230 nan 0.000 0.449 277 A N -0.469 122.237 122.820 -0.190 0.000 2.119 277 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 277 A C 1.327 178.873 177.584 -0.064 0.000 1.152 277 A CA 1.057 53.039 52.037 -0.092 0.000 0.708 277 A CB -0.427 18.546 19.000 -0.045 0.000 0.805 277 A HN 0.542 nan 8.150 nan 0.000 0.460 278 D N -0.485 119.870 120.400 -0.076 0.000 2.427 278 D HA 0.219 4.859 4.640 -0.000 0.000 0.224 278 D C 1.209 177.468 176.300 -0.069 0.000 1.157 278 D CA -0.081 53.894 54.000 -0.043 0.000 0.828 278 D CB 0.142 40.935 40.800 -0.012 0.000 0.974 278 D HN 0.457 nan 8.370 nan 0.000 0.498 279 I N 0.905 121.413 120.570 -0.103 0.000 2.202 279 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 279 I C 2.587 178.609 176.117 -0.159 0.000 1.091 279 I CA 1.225 62.471 61.300 -0.090 0.000 1.368 279 I CB -0.195 37.762 38.000 -0.072 0.000 1.058 279 I HN 0.080 nan 8.210 nan 0.000 0.410 280 G N 0.262 108.867 108.800 -0.324 0.000 2.446 280 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 280 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 280 G C 1.566 176.083 174.900 -0.638 0.000 1.168 280 G CA 0.575 45.221 45.100 -0.756 0.000 0.771 280 G HN 0.241 nan 8.290 nan 0.000 0.551 281 E N 0.841 120.853 120.200 -0.314 0.000 2.058 281 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 281 E C 2.954 179.588 176.600 0.058 0.000 0.997 281 E CA 1.205 57.647 56.400 0.070 0.000 0.801 281 E CB -0.655 29.113 29.700 0.114 0.000 0.746 281 E HN 0.346 nan 8.360 nan 0.000 0.450 282 A N 0.592 123.411 122.820 -0.001 0.000 2.019 282 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 282 A C 2.389 179.961 177.584 -0.020 0.000 1.164 282 A CA 0.938 52.977 52.037 0.003 0.000 0.644 282 A CB -0.520 18.481 19.000 0.002 0.000 0.805 282 A HN 0.190 nan 8.150 nan 0.000 0.449 283 L N -0.873 120.321 121.223 -0.048 0.000 2.072 283 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 283 L C 2.579 179.364 176.870 -0.143 0.000 1.079 283 L CA 1.684 56.430 54.840 -0.157 0.000 0.752 283 L CB -0.377 41.537 42.059 -0.242 0.000 0.906 283 L HN 0.411 nan 8.230 nan 0.000 0.436 284 K N -0.293 120.212 120.400 0.175 0.000 2.020 284 K HA -0.221 4.099 4.320 -0.000 0.000 0.212 284 K C 2.027 178.711 176.600 0.139 0.000 1.050 284 K CA 2.158 58.673 56.287 0.380 0.000 0.929 284 K CB -0.158 32.650 32.500 0.513 0.000 0.714 284 K HN 0.216 nan 8.250 nan 0.000 0.443 285 T N 0.924 115.533 114.554 0.092 0.000 2.570 285 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 285 T C 1.702 176.406 174.700 0.007 0.000 1.071 285 T CA 2.234 64.363 62.100 0.048 0.000 1.172 285 T CB -0.362 68.526 68.868 0.034 0.000 0.864 285 T HN 0.331 nan 8.240 nan 0.000 0.421 286 V N -0.871 119.025 119.914 -0.030 0.000 3.444 286 V HA 0.238 4.358 4.120 -0.000 0.000 0.271 286 V C 0.791 176.835 176.094 -0.085 0.000 1.188 286 V CA 0.376 62.644 62.300 -0.053 0.000 1.168 286 V CB -0.934 30.851 31.823 -0.064 0.000 0.810 286 V HN 0.112 nan 8.190 nan 0.000 0.500 287 L N 0.000 121.158 121.223 -0.109 0.000 2.949 287 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 287 L CA 0.000 54.760 54.840 -0.134 0.000 0.813 287 L CB 0.000 41.862 42.059 -0.329 0.000 0.961 287 L HN 0.000 nan 8.230 nan 0.000 0.502