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 1hyn_1_S DATA FIRST_RESID 56 DATA SEQUENCE KVYVELQELV MDEKNQELRW MEAARWVQLE ENLGENGAWG RPHLSHLTFW DATA SEQUENCE SLLELRRVFT KGTVLLDLQE TSLAGVANQL LDRFIFEDQI RPQDREELLR DATA SEQUENCE ALLLKHSHAG ELEALGGVKP AVLTRSGDPS QPLLPQHSSL ETQLFCEQGD DATA SEQUENCE GGTEGHSPSG ILEKIPPDSE ATLVLVGRAD FLEQPVLGFV RLQEAAELEA DATA SEQUENCE VELPVPIRFL FVLLGPEAPH IDYTQLGRAA ATLMSERVFR IDAYMAQSRG DATA SEQUENCE ELLHSLEGFL DCSLVLPPTD APSEQALLSL VPVQRELLRR RYQ 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 56 K HA 0.000 nan 4.320 nan 0.000 0.191 56 K C 0.000 176.683 176.600 0.138 0.000 0.988 56 K CA 0.000 56.355 56.287 0.113 0.000 0.838 56 K CB 0.000 32.552 32.500 0.087 0.000 1.064 57 V N 2.177 122.188 119.914 0.161 0.000 2.975 57 V HA -0.178 3.942 4.120 -0.000 0.000 0.300 57 V C 0.158 176.380 176.094 0.214 0.000 1.186 57 V CA 0.646 63.063 62.300 0.195 0.000 1.311 57 V CB -0.149 31.796 31.823 0.205 0.000 0.917 57 V HN 0.404 nan 8.190 nan 0.000 0.512 58 Y N 4.732 125.101 120.300 0.115 0.000 2.326 58 Y HA 0.593 5.143 4.550 -0.000 0.000 0.337 58 Y C -0.273 175.711 175.900 0.139 0.000 1.023 58 Y CA -0.559 57.606 58.100 0.108 0.000 1.143 58 Y CB 1.369 39.868 38.460 0.064 0.000 1.183 58 Y HN 0.352 nan 8.280 nan 0.000 0.485 59 V N 6.311 125.977 119.914 -0.413 0.000 2.735 59 V HA 0.422 4.542 4.120 -0.000 0.000 0.310 59 V C -0.923 174.961 176.094 -0.351 0.000 1.061 59 V CA -1.076 61.062 62.300 -0.270 0.000 0.913 59 V CB 1.861 33.600 31.823 -0.140 0.000 1.005 59 V HN 0.787 nan 8.190 nan 0.000 0.428 60 E N 2.827 122.931 120.200 -0.161 0.000 2.234 60 E HA 0.653 5.003 4.350 -0.000 0.000 0.266 60 E C -1.888 174.834 176.600 0.203 0.000 0.877 60 E CA -0.770 55.646 56.400 0.027 0.000 0.758 60 E CB 2.213 31.949 29.700 0.059 0.000 1.170 60 E HN 0.569 nan 8.360 nan 0.000 0.415 61 L N 3.424 124.852 121.223 0.341 0.000 2.322 61 L HA 0.470 4.810 4.340 -0.000 0.000 0.281 61 L C -1.363 175.702 176.870 0.326 0.000 1.014 61 L CA 0.005 55.046 54.840 0.335 0.000 0.815 61 L CB 1.530 43.859 42.059 0.450 0.000 1.247 61 L HN 0.617 nan 8.230 nan 0.000 0.421 62 Q N 3.587 123.586 119.800 0.332 0.000 2.423 62 Q HA 0.604 4.944 4.340 -0.000 0.000 0.278 62 Q C -1.395 174.870 176.000 0.442 0.000 1.097 62 Q CA -0.821 55.217 55.803 0.391 0.000 0.809 62 Q CB 2.918 31.936 28.738 0.467 0.000 1.391 62 Q HN 0.619 nan 8.270 nan 0.000 0.428 63 E N 1.081 121.475 120.200 0.323 0.000 2.288 63 E HA 0.370 4.720 4.350 -0.000 0.000 0.268 63 E C -1.081 175.386 176.600 -0.221 0.000 0.885 63 E CA -0.862 55.607 56.400 0.115 0.000 0.767 63 E CB 2.366 32.089 29.700 0.039 0.000 1.220 63 E HN 0.353 nan 8.360 nan 0.000 0.427 64 L N 3.800 124.604 121.223 -0.698 0.000 2.433 64 L HA 0.162 4.502 4.340 -0.000 0.000 0.275 64 L C -0.230 176.347 176.870 -0.488 0.000 1.128 64 L CA -0.052 54.168 54.840 -1.033 0.000 0.875 64 L CB 0.098 41.520 42.059 -1.062 0.000 1.171 64 L HN 0.405 nan 8.230 nan 0.000 0.463 65 V N 3.030 122.717 119.914 -0.379 0.000 3.165 65 V HA 0.621 4.741 4.120 -0.000 0.000 0.307 65 V C -0.480 175.503 176.094 -0.185 0.000 1.281 65 V CA -1.079 61.090 62.300 -0.218 0.000 1.056 65 V CB 2.153 33.892 31.823 -0.140 0.000 1.178 65 V HN 0.790 nan 8.190 nan 0.000 0.475 66 M N 2.932 122.457 119.600 -0.124 0.000 2.165 66 M HA 0.398 4.878 4.480 -0.000 0.000 0.283 66 M C -1.511 174.747 176.300 -0.070 0.000 0.978 66 M CA -0.532 54.710 55.300 -0.096 0.000 0.948 66 M CB 1.397 33.947 32.600 -0.083 0.000 1.599 66 M HN 1.095 nan 8.290 nan 0.000 0.450 67 D N 3.474 123.838 120.400 -0.059 0.000 2.399 67 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 67 D C 0.257 176.536 176.300 -0.036 0.000 1.133 67 D CA 0.214 54.188 54.000 -0.043 0.000 0.890 67 D CB 0.967 41.747 40.800 -0.034 0.000 1.201 67 D HN 0.715 nan 8.370 nan 0.000 0.432 68 E N 0.438 120.619 120.200 -0.031 0.000 2.028 68 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 68 E C 1.745 178.332 176.600 -0.021 0.000 0.984 68 E CA 0.459 56.844 56.400 -0.026 0.000 0.800 68 E CB 0.014 29.699 29.700 -0.024 0.000 0.758 68 E HN 0.409 nan 8.360 nan 0.000 0.448 69 K N 1.092 121.481 120.400 -0.018 0.000 2.059 69 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 69 K C 1.117 177.710 176.600 -0.012 0.000 1.050 69 K CA 1.953 58.232 56.287 -0.013 0.000 0.927 69 K CB -0.177 32.317 32.500 -0.010 0.000 0.714 69 K HN 0.107 nan 8.250 nan 0.000 0.447 70 N N -0.516 118.175 118.700 -0.014 0.000 2.250 70 N HA 0.048 4.787 4.740 -0.000 0.000 0.190 70 N C -0.299 175.201 175.510 -0.017 0.000 1.116 70 N CA -0.047 52.995 53.050 -0.013 0.000 0.881 70 N CB 0.660 39.141 38.487 -0.011 0.000 1.006 70 N HN 0.133 nan 8.380 nan 0.000 0.491 71 Q N -0.614 119.173 119.800 -0.022 0.000 2.416 71 Q HA -0.222 4.118 4.340 -0.000 0.000 0.235 71 Q C -0.747 175.235 176.000 -0.030 0.000 0.773 71 Q CA 0.922 56.709 55.803 -0.027 0.000 1.286 71 Q CB -1.581 27.144 28.738 -0.022 0.000 1.556 71 Q HN 0.583 nan 8.270 nan 0.000 0.650 72 E N -0.035 120.148 120.200 -0.029 0.000 2.620 72 E HA 0.483 4.833 4.350 -0.000 0.000 0.255 72 E C -0.498 176.072 176.600 -0.050 0.000 1.346 72 E CA -0.581 55.800 56.400 -0.031 0.000 1.013 72 E CB 0.544 30.231 29.700 -0.021 0.000 1.131 72 E HN 0.044 nan 8.360 nan 0.000 0.608 73 L N 0.535 121.725 121.223 -0.055 0.000 2.365 73 L HA 0.479 4.819 4.340 -0.000 0.000 0.273 73 L C -0.809 176.003 176.870 -0.095 0.000 1.000 73 L CA 0.055 54.840 54.840 -0.091 0.000 0.819 73 L CB 1.105 43.115 42.059 -0.081 0.000 1.284 73 L HN 0.653 nan 8.230 nan 0.000 0.418 74 R N 1.694 122.095 120.500 -0.165 0.000 2.835 74 R HA 0.543 4.882 4.340 -0.000 0.000 0.271 74 R C -2.011 174.120 176.300 -0.283 0.000 1.013 74 R CA -1.064 54.958 56.100 -0.130 0.000 0.876 74 R CB 0.437 30.713 30.300 -0.039 0.000 1.348 74 R HN 0.343 nan 8.270 nan 0.000 0.453 75 W N 0.561 121.717 121.300 -0.240 0.000 2.551 75 W HA 0.707 5.366 4.660 -0.000 0.000 0.330 75 W C -0.565 175.885 176.519 -0.116 0.000 1.063 75 W CA -0.641 56.579 57.345 -0.208 0.000 1.222 75 W CB 1.994 31.210 29.460 -0.408 0.000 1.349 75 W HN 0.506 nan 8.180 nan 0.000 0.536 76 M N 2.174 121.877 119.600 0.172 0.000 2.326 76 M HA 0.245 4.725 4.480 -0.000 0.000 0.292 76 M C -0.577 175.839 176.300 0.194 0.000 1.081 76 M CA -0.705 54.668 55.300 0.122 0.000 0.919 76 M CB 1.842 34.464 32.600 0.037 0.000 1.634 76 M HN 0.457 nan 8.290 nan 0.000 0.451 77 E N 3.148 123.489 120.200 0.235 0.000 2.498 77 E HA 0.256 4.606 4.350 -0.000 0.000 0.252 77 E C 0.001 176.737 176.600 0.226 0.000 1.025 77 E CA 0.496 57.088 56.400 0.319 0.000 0.938 77 E CB 0.715 30.693 29.700 0.462 0.000 0.947 77 E HN 0.830 nan 8.360 nan 0.000 0.478 78 A N 4.079 127.041 122.820 0.236 0.000 2.014 78 A HA 0.438 4.758 4.320 -0.000 0.000 0.210 78 A C 0.593 178.299 177.584 0.204 0.000 1.188 78 A CA 0.927 53.062 52.037 0.163 0.000 0.731 78 A CB 0.381 19.475 19.000 0.158 0.000 0.858 78 A HN 0.674 nan 8.150 nan 0.000 0.464 79 A N -0.776 122.222 122.820 0.296 0.000 2.564 79 A HA 0.707 5.027 4.320 -0.000 0.000 0.291 79 A C -0.853 176.797 177.584 0.109 0.000 1.102 79 A CA -0.385 51.770 52.037 0.198 0.000 0.660 79 A CB 0.816 19.721 19.000 -0.158 0.000 1.283 79 A HN 0.784 nan 8.150 nan 0.000 0.430 80 R N -0.440 119.892 120.500 -0.280 0.000 2.710 80 R HA 0.714 5.054 4.340 -0.000 0.000 0.270 80 R C -1.892 174.163 176.300 -0.408 0.000 1.021 80 R CA -0.769 55.207 56.100 -0.206 0.000 0.889 80 R CB 1.253 31.393 30.300 -0.267 0.000 1.243 80 R HN 0.720 nan 8.270 nan 0.000 0.464 81 W N 0.898 122.040 121.300 -0.263 0.000 2.936 81 W HA 0.571 5.230 4.660 -0.000 0.000 0.338 81 W C -0.962 175.494 176.519 -0.106 0.000 1.121 81 W CA -0.952 56.288 57.345 -0.175 0.000 1.209 81 W CB 2.698 32.073 29.460 -0.142 0.000 1.420 81 W HN 0.297 nan 8.180 nan 0.000 0.516 82 V N 2.967 122.978 119.914 0.162 0.000 3.076 82 V HA -0.004 4.116 4.120 -0.000 0.000 0.374 82 V C 0.401 176.563 176.094 0.113 0.000 1.303 82 V CA -0.053 62.337 62.300 0.150 0.000 1.602 82 V CB 0.692 32.583 31.823 0.113 0.000 1.167 82 V HN 0.796 nan 8.190 nan 0.000 0.596 83 Q N 0.586 120.482 119.800 0.161 0.000 4.017 83 Q HA -0.251 4.089 4.340 -0.000 0.000 0.228 83 Q C 0.071 176.156 176.000 0.142 0.000 2.648 83 Q CA 2.303 58.193 55.803 0.144 0.000 0.295 83 Q CB -1.034 27.762 28.738 0.097 0.000 0.191 83 Q HN 0.570 nan 8.270 nan 0.000 0.523 84 L N 1.576 122.819 121.223 0.034 0.000 2.399 84 L HA 0.427 4.767 4.340 -0.000 0.000 0.266 84 L C 0.600 177.300 176.870 -0.283 0.000 1.114 84 L CA -0.162 54.622 54.840 -0.094 0.000 0.804 84 L CB 1.139 43.125 42.059 -0.121 0.000 1.146 84 L HN 0.330 nan 8.230 nan 0.000 0.451 85 E N 1.573 121.405 120.200 -0.612 0.000 2.248 85 E HA 0.363 4.713 4.350 -0.000 0.000 0.272 85 E C -1.166 174.896 176.600 -0.896 0.000 1.008 85 E CA -0.502 55.257 56.400 -1.068 0.000 0.856 85 E CB 1.413 30.365 29.700 -1.246 0.000 1.120 85 E HN 0.534 nan 8.360 nan 0.000 0.397 86 E N 2.136 121.929 120.200 -0.677 0.000 2.340 86 E HA 0.352 4.702 4.350 -0.000 0.000 0.273 86 E C -1.226 175.379 176.600 0.009 0.000 0.891 86 E CA -0.922 55.327 56.400 -0.252 0.000 0.757 86 E CB 1.787 31.360 29.700 -0.212 0.000 1.231 86 E HN 0.440 nan 8.360 nan 0.000 0.439 87 N N 2.172 121.027 118.700 0.260 0.000 2.284 87 N HA 0.310 5.050 4.740 -0.000 0.000 0.300 87 N C -0.829 174.791 175.510 0.184 0.000 1.047 87 N CA -0.579 52.628 53.050 0.263 0.000 0.821 87 N CB 2.003 40.609 38.487 0.198 0.000 1.337 87 N HN 0.337 nan 8.380 nan 0.000 0.482 88 L N 1.827 122.982 121.223 -0.114 0.000 2.385 88 L HA 0.226 4.566 4.340 -0.000 0.000 0.281 88 L C 1.169 177.880 176.870 -0.264 0.000 1.106 88 L CA -0.286 54.215 54.840 -0.565 0.000 0.856 88 L CB 0.073 41.696 42.059 -0.727 0.000 1.186 88 L HN 0.608 nan 8.230 nan 0.000 0.453 89 G N 2.866 111.527 108.800 -0.231 0.000 2.614 89 G HA2 0.001 3.961 3.960 -0.000 0.000 0.239 89 G HA3 0.001 3.961 3.960 -0.000 0.000 0.239 89 G C 0.624 175.447 174.900 -0.128 0.000 1.240 89 G CA -0.381 44.648 45.100 -0.119 0.000 0.842 89 G HN 0.844 nan 8.290 nan 0.000 0.584 90 E N 0.531 120.684 120.200 -0.078 0.000 2.273 90 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 90 E C 1.430 177.986 176.600 -0.073 0.000 1.002 90 E CA 0.829 57.188 56.400 -0.069 0.000 0.828 90 E CB 0.123 29.795 29.700 -0.045 0.000 0.747 90 E HN 0.447 nan 8.360 nan 0.000 0.491 91 N N -0.666 117.986 118.700 -0.080 0.000 2.280 91 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 91 N C 0.948 176.401 175.510 -0.095 0.000 1.109 91 N CA 0.813 53.820 53.050 -0.072 0.000 0.855 91 N CB 1.505 39.958 38.487 -0.056 0.000 0.974 91 N HN 0.275 nan 8.380 nan 0.000 0.482 92 G N 0.309 109.020 108.800 -0.149 0.000 2.176 92 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.232 92 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.232 92 G C 0.108 174.845 174.900 -0.271 0.000 0.986 92 G CA 0.111 45.095 45.100 -0.193 0.000 0.643 92 G HN 0.558 nan 8.290 nan 0.000 0.522 93 A N -0.480 122.197 122.820 -0.239 0.000 2.306 93 A HA 0.679 4.999 4.320 -0.000 0.000 0.314 93 A C -0.114 177.313 177.584 -0.262 0.000 1.164 93 A CA -0.558 51.362 52.037 -0.196 0.000 0.822 93 A CB 0.593 19.543 19.000 -0.083 0.000 1.130 93 A HN 0.565 nan 8.150 nan 0.000 0.496 94 W N 1.474 122.798 121.300 0.040 0.000 2.272 94 W HA 0.471 5.130 4.660 -0.000 0.000 0.318 94 W C 1.011 177.559 176.519 0.049 0.000 1.255 94 W CA 0.477 57.850 57.345 0.046 0.000 1.200 94 W CB 1.125 30.620 29.460 0.058 0.000 1.170 94 W HN 0.951 nan 8.180 nan 0.000 0.549 95 G N 2.283 111.282 108.800 0.333 0.000 2.616 95 G HA2 0.384 4.344 3.960 -0.000 0.000 0.268 95 G HA3 0.384 4.344 3.960 -0.000 0.000 0.268 95 G C -0.378 174.664 174.900 0.238 0.000 1.213 95 G CA -1.065 44.190 45.100 0.259 0.000 0.926 95 G HN 0.613 nan 8.290 nan 0.000 0.523 96 R N 0.635 121.264 120.500 0.215 0.000 2.539 96 R HA 0.309 4.649 4.340 -0.000 0.000 0.275 96 R C -2.427 173.893 176.300 0.032 0.000 1.077 96 R CA -1.177 55.007 56.100 0.139 0.000 1.097 96 R CB 0.574 30.975 30.300 0.168 0.000 1.018 96 R HN 0.254 nan 8.270 nan 0.000 0.483 97 P HA 0.020 nan 4.420 nan 0.000 0.269 97 P C -1.032 176.161 177.300 -0.178 0.000 1.215 97 P CA 0.385 63.377 63.100 -0.180 0.000 0.780 97 P CB 0.647 32.272 31.700 -0.125 0.000 0.898 98 H N -0.084 118.801 119.070 -0.307 0.000 2.948 98 H HA 0.382 4.937 4.556 -0.000 0.000 0.315 98 H C -1.121 174.126 175.328 -0.136 0.000 1.360 98 H CA -1.106 54.774 56.048 -0.280 0.000 1.125 98 H CB 0.454 29.816 29.762 -0.665 0.000 1.844 98 H HN 0.219 nan 8.280 nan 0.000 0.529 99 L N 1.543 122.846 121.223 0.133 0.000 2.380 99 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 99 L C 0.211 177.246 176.870 0.275 0.000 1.138 99 L CA -0.349 54.577 54.840 0.142 0.000 0.832 99 L CB 1.296 43.450 42.059 0.158 0.000 1.124 99 L HN 0.572 nan 8.230 nan 0.000 0.454 100 S N 3.266 119.088 115.700 0.202 0.000 2.423 100 S HA 0.122 4.591 4.470 -0.000 0.000 0.302 100 S C -0.093 174.645 174.600 0.230 0.000 1.143 100 S CA -0.562 57.791 58.200 0.256 0.000 1.080 100 S CB -0.506 62.895 63.200 0.334 0.000 1.081 100 S HN 0.476 nan 8.310 nan 0.000 0.522 101 H N 3.096 122.302 119.070 0.227 0.000 2.482 101 H HA 0.660 5.216 4.556 -0.000 0.000 0.344 101 H C -0.804 174.618 175.328 0.157 0.000 1.151 101 H CA -0.871 55.271 56.048 0.157 0.000 1.300 101 H CB 0.586 30.434 29.762 0.143 0.000 1.494 101 H HN 0.357 nan 8.280 nan 0.000 0.542 102 L N 1.468 122.711 121.223 0.033 0.000 2.309 102 L HA 0.338 4.678 4.340 -0.000 0.000 0.261 102 L C 0.491 177.407 176.870 0.078 0.000 1.021 102 L CA -1.167 53.663 54.840 -0.018 0.000 0.823 102 L CB 2.376 44.447 42.059 0.020 0.000 1.366 102 L HN 0.822 nan 8.230 nan 0.000 0.423 103 T N -3.002 111.589 114.554 0.062 0.000 2.922 103 T HA 0.236 4.586 4.350 -0.000 0.000 0.285 103 T C 0.717 175.414 174.700 -0.006 0.000 1.005 103 T CA -0.424 61.724 62.100 0.081 0.000 1.061 103 T CB 1.122 70.088 68.868 0.163 0.000 1.007 103 T HN 0.464 nan 8.240 nan 0.000 0.502 104 F N 0.659 120.426 119.950 -0.305 0.000 2.126 104 F HA 0.021 4.548 4.527 -0.000 0.000 0.299 104 F C 1.700 177.329 175.800 -0.285 0.000 1.096 104 F CA 0.923 58.674 58.000 -0.415 0.000 1.255 104 F CB -0.466 38.073 39.000 -0.768 0.000 0.997 104 F HN 0.746 nan 8.300 nan 0.000 0.479 105 W N 0.529 121.899 121.300 0.116 0.000 2.363 105 W HA -0.208 4.452 4.660 -0.000 0.000 0.296 105 W C 2.900 179.368 176.519 -0.086 0.000 1.212 105 W CA 1.067 58.422 57.345 0.016 0.000 1.260 105 W CB -1.088 28.424 29.460 0.087 0.000 1.131 105 W HN 0.121 nan 8.180 nan 0.000 0.530 106 S N 0.695 116.472 115.700 0.128 0.000 2.383 106 S HA -0.149 4.321 4.470 -0.000 0.000 0.227 106 S C 1.717 176.283 174.600 -0.056 0.000 1.026 106 S CA 1.104 59.318 58.200 0.022 0.000 0.981 106 S CB -0.934 62.275 63.200 0.015 0.000 0.818 106 S HN 0.308 nan 8.310 nan 0.000 0.472 107 L N 0.227 121.385 121.223 -0.109 0.000 2.156 107 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 107 L C 2.551 179.312 176.870 -0.181 0.000 1.095 107 L CA 0.578 55.337 54.840 -0.135 0.000 0.770 107 L CB -0.497 41.476 42.059 -0.144 0.000 0.914 107 L HN 0.299 nan 8.230 nan 0.000 0.439 108 L N 0.232 121.293 121.223 -0.269 0.000 2.056 108 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 108 L C 2.399 179.228 176.870 -0.068 0.000 1.078 108 L CA 1.813 56.520 54.840 -0.221 0.000 0.749 108 L CB -0.490 41.426 42.059 -0.239 0.000 0.901 108 L HN 0.147 nan 8.230 nan 0.000 0.433 109 E N -0.498 119.683 120.200 -0.032 0.000 2.047 109 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 109 E C 2.100 178.683 176.600 -0.029 0.000 0.987 109 E CA 1.408 57.794 56.400 -0.025 0.000 0.799 109 E CB -0.580 29.093 29.700 -0.045 0.000 0.752 109 E HN 0.382 nan 8.360 nan 0.000 0.449 110 L N 0.992 122.187 121.223 -0.047 0.000 2.042 110 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 110 L C 2.475 179.381 176.870 0.059 0.000 1.076 110 L CA 2.025 56.845 54.840 -0.032 0.000 0.749 110 L CB -0.483 41.524 42.059 -0.086 0.000 0.893 110 L HN 0.096 nan 8.230 nan 0.000 0.432 111 R N -0.954 119.562 120.500 0.027 0.000 2.081 111 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 111 R C 2.441 178.785 176.300 0.072 0.000 1.131 111 R CA 1.532 57.660 56.100 0.047 0.000 0.960 111 R CB -0.105 30.190 30.300 -0.009 0.000 0.856 111 R HN 0.367 nan 8.270 nan 0.000 0.436 112 R N -0.512 120.016 120.500 0.046 0.000 2.070 112 R HA -0.096 4.244 4.340 -0.000 0.000 0.233 112 R C 2.323 178.670 176.300 0.079 0.000 1.137 112 R CA 1.512 57.642 56.100 0.051 0.000 0.945 112 R CB -0.613 29.705 30.300 0.030 0.000 0.845 112 R HN 0.105 nan 8.270 nan 0.000 0.430 113 V N 0.506 120.464 119.914 0.074 0.000 2.515 113 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 113 V C 1.781 177.970 176.094 0.158 0.000 1.058 113 V CA 1.569 63.918 62.300 0.081 0.000 1.064 113 V CB -0.324 31.519 31.823 0.033 0.000 0.675 113 V HN 0.282 nan 8.190 nan 0.000 0.461 114 F N -0.096 119.879 119.950 0.040 0.000 2.293 114 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 114 F C 2.403 178.233 175.800 0.050 0.000 1.089 114 F CA 1.361 59.395 58.000 0.057 0.000 1.377 114 F CB 0.106 39.115 39.000 0.016 0.000 1.051 114 F HN 0.136 nan 8.300 nan 0.000 0.511 115 T N -0.002 114.704 114.554 0.253 0.000 2.833 115 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 115 T C 1.296 176.078 174.700 0.136 0.000 1.054 115 T CA 1.321 63.500 62.100 0.133 0.000 1.135 115 T CB -0.172 68.742 68.868 0.077 0.000 0.869 115 T HN 0.157 nan 8.240 nan 0.000 0.466 116 K N 0.800 121.289 120.400 0.149 0.000 2.440 116 K HA 0.312 4.632 4.320 -0.000 0.000 0.206 116 K C 0.890 177.591 176.600 0.169 0.000 1.025 116 K CA -0.410 55.954 56.287 0.128 0.000 1.135 116 K CB 0.806 33.360 32.500 0.091 0.000 0.856 116 K HN 0.200 nan 8.250 nan 0.000 0.502 117 G N 0.516 109.459 108.800 0.239 0.000 2.554 117 G HA2 0.019 3.979 3.960 -0.000 0.000 0.238 117 G HA3 0.019 3.979 3.960 -0.000 0.000 0.238 117 G C -0.375 174.686 174.900 0.268 0.000 1.259 117 G CA -0.156 45.108 45.100 0.273 0.000 0.843 117 G HN 0.034 nan 8.290 nan 0.000 0.582 118 T N 1.356 116.089 114.554 0.299 0.000 2.762 118 T HA 0.389 4.739 4.350 -0.000 0.000 0.303 118 T C 0.165 174.970 174.700 0.175 0.000 0.977 118 T CA -0.207 62.045 62.100 0.253 0.000 0.961 118 T CB 0.901 69.969 68.868 0.334 0.000 0.944 118 T HN 0.282 nan 8.240 nan 0.000 0.481 119 V N 5.601 125.618 119.914 0.172 0.000 2.483 119 V HA 0.494 4.614 4.120 -0.000 0.000 0.295 119 V C -0.070 176.068 176.094 0.073 0.000 1.035 119 V CA -0.847 61.561 62.300 0.180 0.000 0.896 119 V CB 1.642 33.621 31.823 0.260 0.000 0.986 119 V HN 0.731 nan 8.190 nan 0.000 0.447 120 L N 6.042 127.270 121.223 0.007 0.000 2.417 120 L HA 0.490 4.830 4.340 -0.000 0.000 0.259 120 L C -0.739 176.084 176.870 -0.078 0.000 1.023 120 L CA -0.192 54.612 54.840 -0.060 0.000 0.901 120 L CB 1.180 43.162 42.059 -0.128 0.000 1.227 120 L HN 0.442 nan 8.230 nan 0.000 0.454 121 L N 2.725 123.934 121.223 -0.023 0.000 2.350 121 L HA 0.326 4.666 4.340 -0.000 0.000 0.275 121 L C 0.325 177.155 176.870 -0.065 0.000 1.099 121 L CA -0.527 54.297 54.840 -0.027 0.000 0.808 121 L CB 0.649 42.732 42.059 0.039 0.000 1.149 121 L HN 0.550 nan 8.230 nan 0.000 0.442 122 D N 1.844 122.184 120.400 -0.099 0.000 2.708 122 D HA -0.209 4.431 4.640 -0.000 0.000 0.236 122 D C -0.119 176.119 176.300 -0.103 0.000 1.146 122 D CA 0.745 54.685 54.000 -0.101 0.000 0.662 122 D CB -0.526 40.237 40.800 -0.062 0.000 1.059 122 D HN 0.371 nan 8.370 nan 0.000 0.428 123 L N 0.627 121.771 121.223 -0.131 0.000 2.513 123 L HA -0.040 4.300 4.340 -0.000 0.000 0.272 123 L C 1.005 177.807 176.870 -0.114 0.000 1.187 123 L CA 0.609 55.374 54.840 -0.123 0.000 0.895 123 L CB 0.457 42.425 42.059 -0.151 0.000 1.147 123 L HN 0.030 nan 8.230 nan 0.000 0.483 124 Q N 4.777 124.521 119.800 -0.093 0.000 2.844 124 Q HA 0.190 4.530 4.340 -0.000 0.000 0.235 124 Q C -1.077 174.874 176.000 -0.080 0.000 1.336 124 Q CA -0.118 55.636 55.803 -0.081 0.000 1.026 124 Q CB 0.456 29.155 28.738 -0.066 0.000 1.513 124 Q HN 0.467 nan 8.270 nan 0.000 0.577 125 E N 0.244 120.389 120.200 -0.092 0.000 2.366 125 E HA 0.223 4.573 4.350 -0.000 0.000 0.278 125 E C -0.156 176.390 176.600 -0.090 0.000 0.923 125 E CA -0.349 55.999 56.400 -0.086 0.000 0.761 125 E CB 2.025 31.668 29.700 -0.095 0.000 1.231 125 E HN 0.344 nan 8.360 nan 0.000 0.443 126 T N -2.591 111.917 114.554 -0.076 0.000 3.288 126 T HA 0.289 4.639 4.350 -0.000 0.000 0.293 126 T C 0.152 174.810 174.700 -0.069 0.000 1.008 126 T CA -0.342 61.714 62.100 -0.073 0.000 0.929 126 T CB -0.179 68.653 68.868 -0.060 0.000 1.152 126 T HN 0.324 nan 8.240 nan 0.000 0.517 127 S N 0.006 115.662 115.700 -0.075 0.000 2.579 127 S HA 0.648 5.118 4.470 -0.000 0.000 0.272 127 S C 0.413 174.960 174.600 -0.088 0.000 1.141 127 S CA -0.925 57.232 58.200 -0.073 0.000 0.843 127 S CB 1.769 64.936 63.200 -0.055 0.000 1.122 127 S HN 0.021 nan 8.310 nan 0.000 0.468 128 L N 2.014 123.176 121.223 -0.101 0.000 2.017 128 L HA 0.167 4.507 4.340 -0.000 0.000 0.208 128 L C 2.751 179.571 176.870 -0.083 0.000 1.073 128 L CA 2.646 57.412 54.840 -0.123 0.000 0.745 128 L CB -1.322 40.628 42.059 -0.181 0.000 0.894 128 L HN 1.018 nan 8.230 nan 0.000 0.432 129 A N -0.594 122.193 122.820 -0.056 0.000 1.917 129 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 129 A C 2.326 179.887 177.584 -0.037 0.000 1.182 129 A CA 1.896 53.915 52.037 -0.030 0.000 0.633 129 A CB -1.656 17.334 19.000 -0.016 0.000 0.819 129 A HN 0.546 nan 8.150 nan 0.000 0.448 130 G N -0.567 108.204 108.800 -0.050 0.000 2.453 130 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 130 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 130 G C 1.535 176.393 174.900 -0.071 0.000 1.201 130 G CA 1.359 46.426 45.100 -0.056 0.000 0.784 130 G HN 0.349 nan 8.290 nan 0.000 0.545 131 V N 1.804 121.665 119.914 -0.089 0.000 2.324 131 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 131 V C 3.356 179.390 176.094 -0.100 0.000 1.060 131 V CA 2.242 64.475 62.300 -0.110 0.000 1.042 131 V CB -1.017 30.728 31.823 -0.129 0.000 0.650 131 V HN 0.511 nan 8.190 nan 0.000 0.450 132 A N -0.008 122.770 122.820 -0.071 0.000 1.902 132 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 132 A C 2.147 179.717 177.584 -0.023 0.000 1.181 132 A CA 2.020 54.037 52.037 -0.034 0.000 0.623 132 A CB -0.667 18.333 19.000 -0.001 0.000 0.818 132 A HN 0.612 nan 8.150 nan 0.000 0.443 133 N N -0.453 118.232 118.700 -0.025 0.000 2.084 133 N HA -0.154 4.586 4.740 -0.000 0.000 0.190 133 N C 1.945 177.432 175.510 -0.039 0.000 1.030 133 N CA 1.490 54.531 53.050 -0.016 0.000 0.849 133 N CB -0.294 38.183 38.487 -0.017 0.000 1.012 133 N HN 0.479 nan 8.380 nan 0.000 0.423 134 Q N 1.217 120.976 119.800 -0.069 0.000 1.993 134 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 134 Q C 2.366 178.283 176.000 -0.138 0.000 0.984 134 Q CA 0.687 56.434 55.803 -0.094 0.000 0.837 134 Q CB -0.810 27.864 28.738 -0.107 0.000 0.902 134 Q HN 0.408 nan 8.270 nan 0.000 0.423 135 L N 0.492 121.598 121.223 -0.195 0.000 2.013 135 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 135 L C 2.398 179.007 176.870 -0.434 0.000 1.073 135 L CA 1.210 55.820 54.840 -0.384 0.000 0.753 135 L CB -0.359 41.467 42.059 -0.389 0.000 0.890 135 L HN 0.252 nan 8.230 nan 0.000 0.432 136 L N -0.737 120.404 121.223 -0.136 0.000 2.083 136 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 136 L C 2.156 179.088 176.870 0.102 0.000 1.083 136 L CA 1.120 56.014 54.840 0.091 0.000 0.752 136 L CB -0.659 41.484 42.059 0.141 0.000 0.899 136 L HN 0.298 nan 8.230 nan 0.000 0.433 137 D N -0.332 120.085 120.400 0.028 0.000 2.178 137 D HA -0.163 4.477 4.640 -0.000 0.000 0.202 137 D C 2.286 178.644 176.300 0.097 0.000 0.974 137 D CA 0.867 54.900 54.000 0.055 0.000 0.841 137 D CB 0.009 40.811 40.800 0.003 0.000 0.953 137 D HN 0.043 nan 8.370 nan 0.000 0.478 138 R N -0.212 120.302 120.500 0.023 0.000 2.073 138 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 138 R C 2.007 178.456 176.300 0.248 0.000 1.120 138 R CA 0.702 56.860 56.100 0.097 0.000 0.967 138 R CB -0.771 29.500 30.300 -0.048 0.000 0.862 138 R HN 0.045 nan 8.270 nan 0.000 0.436 139 F N 0.652 120.681 119.950 0.132 0.000 2.065 139 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 139 F C 2.167 178.033 175.800 0.110 0.000 1.112 139 F CA 1.101 59.169 58.000 0.112 0.000 1.212 139 F CB -0.834 38.223 39.000 0.095 0.000 0.975 139 F HN -0.011 nan 8.300 nan 0.000 0.476 140 I N -1.239 119.532 120.570 0.336 0.000 2.163 140 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 140 I C 2.471 178.707 176.117 0.198 0.000 1.085 140 I CA 1.492 62.923 61.300 0.219 0.000 1.347 140 I CB -0.665 37.447 38.000 0.186 0.000 1.044 140 I HN 0.056 nan 8.210 nan 0.000 0.408 141 F N 2.026 122.036 119.950 0.099 0.000 2.161 141 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 141 F C 2.142 177.991 175.800 0.081 0.000 1.089 141 F CA 1.683 59.726 58.000 0.072 0.000 1.282 141 F CB -0.251 38.781 39.000 0.053 0.000 1.010 141 F HN 0.064 nan 8.300 nan 0.000 0.485 142 E N -0.092 120.125 120.200 0.029 0.000 2.437 142 E HA -0.045 4.305 4.350 -0.000 0.000 0.189 142 E C -0.241 176.349 176.600 -0.018 0.000 1.054 142 E CA 0.484 56.851 56.400 -0.054 0.000 0.874 142 E CB -0.118 29.662 29.700 0.133 0.000 1.011 142 E HN 0.316 nan 8.360 nan 0.000 0.474 143 D N 0.735 121.133 120.400 -0.003 0.000 2.837 143 D HA -0.222 4.418 4.640 -0.000 0.000 0.230 143 D C 1.023 177.338 176.300 0.026 0.000 1.152 143 D CA 0.637 54.641 54.000 0.007 0.000 0.736 143 D CB -0.720 40.063 40.800 -0.029 0.000 1.084 143 D HN 0.369 nan 8.370 nan 0.000 0.429 144 Q N -0.650 119.186 119.800 0.061 0.000 2.137 144 Q HA 0.051 4.391 4.340 -0.000 0.000 0.198 144 Q C 1.609 177.565 176.000 -0.074 0.000 0.960 144 Q CA 0.955 56.750 55.803 -0.014 0.000 0.847 144 Q CB 0.591 29.317 28.738 -0.019 0.000 0.915 144 Q HN 0.697 nan 8.270 nan 0.000 0.448 145 I N -3.009 117.558 120.570 -0.006 0.000 3.174 145 I HA 0.475 4.645 4.170 -0.000 0.000 0.313 145 I C -0.789 175.370 176.117 0.070 0.000 1.155 145 I CA -1.420 59.891 61.300 0.017 0.000 0.977 145 I CB 2.017 40.035 38.000 0.031 0.000 1.248 145 I HN -0.280 nan 8.210 nan 0.000 0.453 146 R N 2.171 122.719 120.500 0.080 0.000 2.457 146 R HA 0.382 4.721 4.340 -0.000 0.000 0.284 146 R C -1.969 174.378 176.300 0.079 0.000 1.024 146 R CA -1.385 54.758 56.100 0.071 0.000 1.025 146 R CB 0.633 30.970 30.300 0.061 0.000 1.063 146 R HN 0.415 nan 8.270 nan 0.000 0.493 147 P HA -0.224 nan 4.420 nan 0.000 0.217 147 P C 0.661 177.987 177.300 0.042 0.000 1.148 147 P CA 1.205 64.343 63.100 0.064 0.000 0.828 147 P CB 0.244 31.976 31.700 0.053 0.000 0.783 148 Q N -1.297 118.518 119.800 0.025 0.000 2.472 148 Q HA -0.051 4.289 4.340 -0.000 0.000 0.208 148 Q C 0.591 176.564 176.000 -0.046 0.000 0.958 148 Q CA 1.063 56.859 55.803 -0.011 0.000 0.932 148 Q CB -0.719 28.007 28.738 -0.019 0.000 1.007 148 Q HN 0.341 nan 8.270 nan 0.000 0.508 149 D N 0.866 121.271 120.400 0.008 0.000 2.367 149 D HA 0.023 4.662 4.640 -0.000 0.000 0.207 149 D C 1.707 178.048 176.300 0.068 0.000 1.034 149 D CA 0.009 54.020 54.000 0.018 0.000 0.861 149 D CB 0.136 41.068 40.800 0.221 0.000 0.943 149 D HN 0.255 nan 8.370 nan 0.000 0.515 150 R N 1.372 121.915 120.500 0.071 0.000 2.080 150 R HA -0.151 4.189 4.340 -0.000 0.000 0.236 150 R C 1.752 178.094 176.300 0.069 0.000 1.137 150 R CA 1.410 57.566 56.100 0.093 0.000 0.943 150 R CB 0.132 30.482 30.300 0.084 0.000 0.846 150 R HN 0.131 nan 8.270 nan 0.000 0.431 151 E N -0.014 120.200 120.200 0.023 0.000 2.021 151 E HA -0.262 4.088 4.350 -0.000 0.000 0.200 151 E C 2.029 178.642 176.600 0.022 0.000 1.015 151 E CA 1.754 58.162 56.400 0.013 0.000 0.824 151 E CB -0.150 29.539 29.700 -0.018 0.000 0.762 151 E HN 0.279 nan 8.360 nan 0.000 0.454 152 E N 0.643 120.827 120.200 -0.026 0.000 2.118 152 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 152 E C 2.005 178.682 176.600 0.129 0.000 0.992 152 E CA 0.797 57.194 56.400 -0.004 0.000 0.804 152 E CB -0.101 29.492 29.700 -0.179 0.000 0.741 152 E HN 0.198 nan 8.360 nan 0.000 0.458 153 L N -0.270 121.063 121.223 0.184 0.000 2.044 153 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 153 L C 2.470 179.465 176.870 0.208 0.000 1.075 153 L CA 0.776 55.766 54.840 0.250 0.000 0.747 153 L CB -0.405 41.820 42.059 0.278 0.000 0.903 153 L HN 0.238 nan 8.230 nan 0.000 0.435 154 L N 0.091 121.409 121.223 0.158 0.000 2.012 154 L HA -0.293 4.047 4.340 -0.000 0.000 0.210 154 L C 2.862 179.812 176.870 0.132 0.000 1.073 154 L CA 1.642 56.561 54.840 0.131 0.000 0.748 154 L CB -0.362 41.751 42.059 0.090 0.000 0.891 154 L HN 0.315 nan 8.230 nan 0.000 0.431 155 R N -0.335 120.233 120.500 0.114 0.000 2.103 155 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 155 R C 2.135 178.526 176.300 0.151 0.000 1.142 155 R CA 1.722 57.886 56.100 0.106 0.000 0.960 155 R CB -0.220 30.124 30.300 0.074 0.000 0.858 155 R HN 0.495 nan 8.270 nan 0.000 0.439 156 A N 0.483 123.418 122.820 0.192 0.000 1.930 156 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 156 A C 2.118 179.991 177.584 0.482 0.000 1.176 156 A CA 0.749 52.942 52.037 0.260 0.000 0.632 156 A CB -0.310 18.815 19.000 0.207 0.000 0.819 156 A HN 0.330 nan 8.150 nan 0.000 0.445 157 L N -0.526 120.937 121.223 0.400 0.000 2.191 157 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 157 L C 1.686 178.689 176.870 0.221 0.000 1.103 157 L CA 0.773 55.808 54.840 0.326 0.000 0.769 157 L CB -0.329 41.837 42.059 0.178 0.000 0.908 157 L HN 0.360 nan 8.230 nan 0.000 0.438 158 L N -0.645 120.706 121.223 0.213 0.000 2.611 158 L HA 0.119 4.459 4.340 -0.000 0.000 0.229 158 L C 0.873 177.855 176.870 0.186 0.000 1.137 158 L CA -0.327 54.614 54.840 0.169 0.000 0.901 158 L CB -0.249 41.875 42.059 0.108 0.000 1.098 158 L HN 0.154 nan 8.230 nan 0.000 0.456 159 L N 0.060 121.421 121.223 0.231 0.000 2.468 159 L HA 0.042 4.382 4.340 -0.000 0.000 0.253 159 L C 0.846 177.800 176.870 0.140 0.000 1.237 159 L CA -0.315 54.635 54.840 0.182 0.000 0.823 159 L CB 0.144 42.331 42.059 0.212 0.000 1.124 159 L HN -0.044 nan 8.230 nan 0.000 0.504 160 K N 0.296 120.757 120.400 0.101 0.000 2.485 160 K HA -0.007 4.313 4.320 -0.000 0.000 0.277 160 K C -0.424 176.192 176.600 0.026 0.000 0.990 160 K CA 0.605 56.943 56.287 0.085 0.000 0.994 160 K CB 0.076 32.606 32.500 0.051 0.000 0.906 160 K HN 0.314 nan 8.250 nan 0.000 0.488 161 H N 2.136 121.227 119.070 0.034 0.000 2.643 161 H HA 0.198 4.754 4.556 -0.000 0.000 0.259 161 H C -0.397 174.779 175.328 -0.252 0.000 1.298 161 H CA -0.391 55.647 56.048 -0.017 0.000 1.301 161 H CB 0.728 30.445 29.762 -0.076 0.000 1.422 161 H HN 0.506 nan 8.280 nan 0.000 0.521 162 S N 2.402 118.029 115.700 -0.122 0.000 2.593 162 S HA 0.182 4.652 4.470 -0.000 0.000 0.269 162 S C 0.351 174.744 174.600 -0.345 0.000 1.334 162 S CA -0.355 57.720 58.200 -0.209 0.000 1.015 162 S CB 0.945 64.116 63.200 -0.048 0.000 0.912 162 S HN 0.567 nan 8.310 nan 0.000 0.541 163 H N -0.445 118.712 119.070 0.145 0.000 2.869 163 H HA 0.498 5.054 4.556 -0.000 0.000 0.342 163 H C 1.240 176.637 175.328 0.115 0.000 1.250 163 H CA -0.402 55.747 56.048 0.167 0.000 1.217 163 H CB 0.676 30.555 29.762 0.195 0.000 1.917 163 H HN 0.637 nan 8.280 nan 0.000 0.586 164 A N 0.471 123.462 122.820 0.285 0.000 1.896 164 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 164 A C 2.327 179.957 177.584 0.076 0.000 1.206 164 A CA 2.746 54.837 52.037 0.088 0.000 0.647 164 A CB -1.571 17.507 19.000 0.129 0.000 0.828 164 A HN 0.813 nan 8.150 nan 0.000 0.455 165 G N -1.088 107.800 108.800 0.147 0.000 2.479 165 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.220 165 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.220 165 G C 1.308 176.253 174.900 0.074 0.000 1.115 165 G CA 1.142 46.307 45.100 0.108 0.000 0.757 165 G HN 0.702 nan 8.290 nan 0.000 0.560 166 E N -0.485 119.762 120.200 0.078 0.000 2.442 166 E HA 0.249 4.599 4.350 -0.000 0.000 0.195 166 E C 2.267 178.878 176.600 0.019 0.000 1.030 166 E CA -0.439 55.990 56.400 0.048 0.000 0.869 166 E CB 0.074 29.804 29.700 0.049 0.000 0.857 166 E HN 0.299 nan 8.360 nan 0.000 0.505 167 L N 1.877 123.104 121.223 0.006 0.000 1.956 167 L HA -0.261 4.078 4.340 -0.000 0.000 0.216 167 L C 2.607 179.465 176.870 -0.021 0.000 1.073 167 L CA 1.738 56.565 54.840 -0.022 0.000 0.762 167 L CB -0.461 41.564 42.059 -0.057 0.000 0.889 167 L HN 0.290 nan 8.230 nan 0.000 0.433 168 E N 0.433 120.620 120.200 -0.022 0.000 2.130 168 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 168 E C 1.963 178.559 176.600 -0.008 0.000 0.998 168 E CA 1.557 57.946 56.400 -0.018 0.000 0.806 168 E CB -0.579 29.112 29.700 -0.015 0.000 0.738 168 E HN 0.537 nan 8.360 nan 0.000 0.459 169 A N 1.967 124.787 122.820 0.001 0.000 1.877 169 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 169 A C 2.478 180.062 177.584 -0.000 0.000 1.186 169 A CA 1.397 53.437 52.037 0.005 0.000 0.620 169 A CB -0.823 18.186 19.000 0.015 0.000 0.822 169 A HN 0.246 nan 8.150 nan 0.000 0.443 170 L N -0.626 120.596 121.223 -0.003 0.000 2.622 170 L HA 0.095 4.435 4.340 -0.000 0.000 0.233 170 L C 1.644 178.506 176.870 -0.013 0.000 1.156 170 L CA 0.493 55.328 54.840 -0.008 0.000 0.866 170 L CB -0.567 41.485 42.059 -0.012 0.000 0.980 170 L HN 0.611 nan 8.230 nan 0.000 0.448 171 G N 0.002 108.794 108.800 -0.014 0.000 2.198 171 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.260 171 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.260 171 G C 0.625 175.512 174.900 -0.022 0.000 1.025 171 G CA 0.263 45.353 45.100 -0.017 0.000 0.769 171 G HN 0.914 nan 8.290 nan 0.000 0.507 172 G N -3.056 105.728 108.800 -0.027 0.000 2.661 172 G HA2 0.328 4.288 3.960 -0.000 0.000 0.685 172 G HA3 0.328 4.288 3.960 -0.000 0.000 0.685 172 G C -0.509 174.370 174.900 -0.035 0.000 1.298 172 G CA -0.022 45.057 45.100 -0.034 0.000 0.855 172 G HN 1.658 nan 8.290 nan 0.000 0.560 173 V N 0.508 120.398 119.914 -0.041 0.000 3.078 173 V HA 0.884 5.004 4.120 -0.000 0.000 0.311 173 V C -0.233 175.832 176.094 -0.048 0.000 1.138 173 V CA -0.761 61.512 62.300 -0.045 0.000 1.007 173 V CB 2.262 34.057 31.823 -0.048 0.000 1.045 173 V HN 1.020 nan 8.190 nan 0.000 0.432 174 K N 4.557 124.924 120.400 -0.055 0.000 2.435 174 K HA 0.593 4.913 4.320 -0.000 0.000 0.251 174 K C -2.800 173.759 176.600 -0.069 0.000 0.954 174 K CA -1.778 54.477 56.287 -0.054 0.000 0.820 174 K CB 2.351 34.823 32.500 -0.046 0.000 1.292 174 K HN 0.417 nan 8.250 nan 0.000 0.436 175 P HA 0.125 nan 4.420 nan 0.000 0.272 175 P C -1.275 175.970 177.300 -0.092 0.000 1.223 175 P CA -0.163 62.888 63.100 -0.081 0.000 0.784 175 P CB 1.153 32.816 31.700 -0.061 0.000 0.923 176 A N 1.875 124.621 122.820 -0.123 0.000 2.594 176 A HA 0.667 4.987 4.320 -0.000 0.000 0.291 176 A C -1.428 176.067 177.584 -0.149 0.000 1.105 176 A CA -0.604 51.359 52.037 -0.123 0.000 0.694 176 A CB 1.497 20.418 19.000 -0.132 0.000 1.291 176 A HN 0.280 nan 8.150 nan 0.000 0.410 177 V N 1.391 121.228 119.914 -0.128 0.000 2.531 177 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 177 V C -0.578 175.451 176.094 -0.109 0.000 1.034 177 V CA -0.558 61.654 62.300 -0.147 0.000 0.865 177 V CB 1.441 33.188 31.823 -0.126 0.000 0.995 177 V HN 0.942 nan 8.190 nan 0.000 0.424 178 L N 5.468 126.618 121.223 -0.121 0.000 2.455 178 L HA 0.417 4.757 4.340 -0.000 0.000 0.272 178 L C 0.491 177.436 176.870 0.125 0.000 1.174 178 L CA 1.178 56.014 54.840 -0.007 0.000 0.869 178 L CB 0.772 42.842 42.059 0.017 0.000 1.130 178 L HN 0.770 nan 8.230 nan 0.000 0.474 179 T N 5.268 119.921 114.554 0.165 0.000 2.902 179 T HA 0.323 4.673 4.350 -0.000 0.000 0.280 179 T C 1.312 176.159 174.700 0.245 0.000 0.992 179 T CA -0.537 61.681 62.100 0.196 0.000 1.015 179 T CB 0.917 69.830 68.868 0.075 0.000 1.044 179 T HN 0.584 nan 8.240 nan 0.000 0.520 180 R N 0.771 121.350 120.500 0.132 0.000 2.328 180 R HA -0.033 4.307 4.340 -0.000 0.000 0.207 180 R C 1.845 178.039 176.300 -0.176 0.000 1.056 180 R CA 0.945 56.916 56.100 -0.214 0.000 1.016 180 R CB -0.173 30.043 30.300 -0.140 0.000 0.872 180 R HN 0.624 nan 8.270 nan 0.000 0.471 181 S N -1.775 113.889 115.700 -0.060 0.000 2.539 181 S HA 0.234 4.704 4.470 -0.000 0.000 0.221 181 S C 1.319 175.903 174.600 -0.027 0.000 0.987 181 S CA 0.118 58.289 58.200 -0.048 0.000 0.929 181 S CB 1.183 64.368 63.200 -0.024 0.000 0.832 181 S HN 0.405 nan 8.310 nan 0.000 0.492 182 G N 1.023 109.821 108.800 -0.002 0.000 2.175 182 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 182 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 182 G C -0.487 174.424 174.900 0.017 0.000 0.982 182 G CA 0.029 45.141 45.100 0.020 0.000 0.641 182 G HN 0.533 nan 8.290 nan 0.000 0.527 183 D N 1.877 122.285 120.400 0.014 0.000 2.304 183 D HA 0.514 5.154 4.640 -0.000 0.000 0.247 183 D C -1.596 174.703 176.300 -0.002 0.000 1.089 183 D CA -1.178 52.824 54.000 0.002 0.000 0.910 183 D CB 1.626 42.425 40.800 -0.000 0.000 1.199 183 D HN 0.215 nan 8.370 nan 0.000 0.426 184 P HA 0.253 nan 4.420 nan 0.000 0.281 184 P C -1.119 176.161 177.300 -0.034 0.000 1.264 184 P CA -0.570 62.505 63.100 -0.042 0.000 0.824 184 P CB 1.108 32.772 31.700 -0.059 0.000 1.092 185 S N -0.662 115.011 115.700 -0.044 0.000 2.533 185 S HA 0.329 4.799 4.470 -0.000 0.000 0.271 185 S C -0.550 174.021 174.600 -0.048 0.000 1.143 185 S CA -0.875 57.303 58.200 -0.037 0.000 0.891 185 S CB 1.144 64.329 63.200 -0.024 0.000 1.105 185 S HN 0.557 nan 8.310 nan 0.000 0.468 186 Q N 2.087 121.863 119.800 -0.040 0.000 2.352 186 Q HA 0.458 4.798 4.340 -0.000 0.000 0.260 186 Q C -2.294 173.682 176.000 -0.039 0.000 0.976 186 Q CA -1.483 54.296 55.803 -0.041 0.000 0.881 186 Q CB -0.242 28.477 28.738 -0.031 0.000 1.235 186 Q HN 0.453 nan 8.270 nan 0.000 0.419 187 P HA -0.065 nan 4.420 nan 0.000 0.268 187 P C 0.232 177.516 177.300 -0.027 0.000 1.208 187 P CA 0.039 63.116 63.100 -0.039 0.000 0.777 187 P CB 0.846 32.525 31.700 -0.034 0.000 0.875 188 L N 0.724 121.930 121.223 -0.028 0.000 2.109 188 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 188 L C 1.309 178.166 176.870 -0.022 0.000 1.086 188 L CA 0.757 55.583 54.840 -0.024 0.000 0.760 188 L CB -0.657 41.386 42.059 -0.027 0.000 0.910 188 L HN 0.272 nan 8.230 nan 0.000 0.437 189 L N 2.009 123.219 121.223 -0.021 0.000 2.380 189 L HA 0.186 4.526 4.340 -0.000 0.000 0.273 189 L C -1.824 175.046 176.870 0.001 0.000 1.138 189 L CA -1.938 52.891 54.840 -0.018 0.000 0.832 189 L CB -0.053 41.993 42.059 -0.022 0.000 1.124 189 L HN -0.108 nan 8.230 nan 0.000 0.454 190 P HA -0.042 nan 4.420 nan 0.000 0.258 190 P C -1.219 176.126 177.300 0.074 0.000 1.187 190 P CA 0.045 63.157 63.100 0.020 0.000 0.767 190 P CB 0.332 32.031 31.700 -0.003 0.000 0.770 191 Q N 3.146 122.989 119.800 0.070 0.000 2.288 191 Q HA 0.288 4.628 4.340 -0.000 0.000 0.258 191 Q C 0.607 176.690 176.000 0.139 0.000 0.957 191 Q CA -0.033 55.824 55.803 0.090 0.000 0.919 191 Q CB 0.591 29.345 28.738 0.026 0.000 1.185 191 Q HN 0.600 nan 8.270 nan 0.000 0.408 192 H N -0.896 118.175 119.070 0.002 0.000 2.895 192 H HA 0.496 5.052 4.556 -0.000 0.000 0.373 192 H C -0.917 174.420 175.328 0.014 0.000 1.174 192 H CA -1.155 54.897 56.048 0.006 0.000 1.144 192 H CB 0.965 30.732 29.762 0.008 0.000 1.793 192 H HN 0.634 nan 8.280 nan 0.000 0.551 193 S N 1.515 117.122 115.700 -0.155 0.000 2.593 193 S HA 0.270 4.740 4.470 -0.000 0.000 0.269 193 S C 0.400 174.854 174.600 -0.243 0.000 1.334 193 S CA -0.283 57.811 58.200 -0.176 0.000 1.015 193 S CB 0.464 63.631 63.200 -0.054 0.000 0.912 193 S HN 0.855 nan 8.310 nan 0.000 0.541 194 S N 1.761 117.375 115.700 -0.144 0.000 2.632 194 S HA 0.339 4.809 4.470 -0.000 0.000 0.267 194 S C 1.179 175.798 174.600 0.032 0.000 1.276 194 S CA -1.008 57.159 58.200 -0.055 0.000 0.998 194 S CB 0.226 63.428 63.200 0.002 0.000 0.953 194 S HN 0.690 nan 8.310 nan 0.000 0.547 195 L N 0.527 121.802 121.223 0.087 0.000 2.013 195 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 195 L C 2.632 179.537 176.870 0.058 0.000 1.073 195 L CA 1.927 56.815 54.840 0.080 0.000 0.753 195 L CB -0.722 41.428 42.059 0.151 0.000 0.890 195 L HN 0.747 nan 8.230 nan 0.000 0.432 196 E N -0.636 119.664 120.200 0.166 0.000 2.051 196 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 196 E C 2.037 178.767 176.600 0.217 0.000 0.991 196 E CA 1.855 58.433 56.400 0.297 0.000 0.799 196 E CB -0.580 29.317 29.700 0.329 0.000 0.748 196 E HN 0.370 nan 8.360 nan 0.000 0.449 197 T N 1.025 115.651 114.554 0.120 0.000 2.684 197 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 197 T C 1.820 176.535 174.700 0.025 0.000 1.036 197 T CA 1.565 63.708 62.100 0.072 0.000 1.148 197 T CB -0.263 68.619 68.868 0.024 0.000 0.863 197 T HN 0.212 nan 8.240 nan 0.000 0.436 198 Q N -0.007 119.786 119.800 -0.011 0.000 2.050 198 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 198 Q C 2.222 178.144 176.000 -0.130 0.000 0.980 198 Q CA 0.947 56.720 55.803 -0.051 0.000 0.840 198 Q CB -0.152 28.561 28.738 -0.040 0.000 0.898 198 Q HN 0.304 nan 8.270 nan 0.000 0.424 199 L N -1.195 119.869 121.223 -0.264 0.000 2.179 199 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 199 L C 1.402 177.856 176.870 -0.693 0.000 1.096 199 L CA 1.665 56.149 54.840 -0.593 0.000 0.779 199 L CB -0.414 41.036 42.059 -1.015 0.000 0.922 199 L HN 0.242 nan 8.230 nan 0.000 0.443 200 F N -3.564 116.377 119.950 -0.014 0.000 2.767 200 F HA 0.124 4.651 4.527 -0.000 0.000 0.323 200 F C 1.993 177.820 175.800 0.045 0.000 1.091 200 F CA -0.268 57.744 58.000 0.020 0.000 1.192 200 F CB -0.244 38.782 39.000 0.044 0.000 1.056 200 F HN -0.064 nan 8.300 nan 0.000 0.571 201 C N -0.754 118.648 119.300 0.169 0.000 2.742 201 C HA 0.127 4.587 4.460 -0.000 0.000 0.284 201 C C 1.058 176.078 174.990 0.050 0.000 1.481 201 C CA -0.001 59.082 59.018 0.109 0.000 1.809 201 C CB -0.347 27.439 27.740 0.075 0.000 1.991 201 C HN 0.078 nan 8.230 nan 0.000 0.660 202 E N 2.950 123.162 120.200 0.020 0.000 1.954 202 E HA 0.203 4.553 4.350 -0.000 0.000 0.272 202 E C -0.483 176.119 176.600 0.002 0.000 1.170 202 E CA 0.821 57.222 56.400 0.003 0.000 1.101 202 E CB -0.606 29.090 29.700 -0.008 0.000 1.076 202 E HN 0.609 nan 8.360 nan 0.000 0.449 203 Q N -1.017 118.790 119.800 0.012 0.000 2.456 203 Q HA 0.515 4.855 4.340 -0.000 0.000 0.284 203 Q C 1.220 177.226 176.000 0.011 0.000 1.061 203 Q CA -0.370 55.440 55.803 0.012 0.000 0.799 203 Q CB 1.461 30.215 28.738 0.027 0.000 1.445 203 Q HN 0.296 nan 8.270 nan 0.000 0.411 204 G N 0.564 109.369 108.800 0.008 0.000 2.777 204 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 204 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 204 G C -0.102 174.802 174.900 0.006 0.000 1.295 204 G CA 1.324 46.427 45.100 0.005 0.000 0.800 204 G HN 0.692 nan 8.290 nan 0.000 0.637 205 D N 0.707 121.114 120.400 0.012 0.000 3.072 205 D HA 0.458 5.098 4.640 -0.000 0.000 0.250 205 D C 1.065 177.378 176.300 0.022 0.000 1.304 205 D CA 0.904 54.910 54.000 0.010 0.000 0.861 205 D CB 0.085 40.893 40.800 0.013 0.000 1.062 205 D HN 0.648 nan 8.370 nan 0.000 0.481 206 G N -0.046 108.769 108.800 0.025 0.000 2.553 206 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 206 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 206 G C 0.986 175.930 174.900 0.074 0.000 1.277 206 G CA -0.444 44.685 45.100 0.048 0.000 0.910 206 G HN 0.429 nan 8.290 nan 0.000 0.576 207 G N -1.655 107.211 108.800 0.110 0.000 2.607 207 G HA2 0.266 4.226 3.960 -0.000 0.000 0.215 207 G HA3 0.266 4.226 3.960 -0.000 0.000 0.215 207 G C 1.804 176.770 174.900 0.110 0.000 1.275 207 G CA 2.654 47.835 45.100 0.134 0.000 0.842 207 G HN 1.271 nan 8.290 nan 0.000 0.555 208 T N 0.520 115.139 114.554 0.108 0.000 2.739 208 T HA 0.234 4.584 4.350 -0.000 0.000 0.249 208 T C 0.758 175.501 174.700 0.071 0.000 1.050 208 T CA 1.031 63.183 62.100 0.087 0.000 1.165 208 T CB -0.079 68.839 68.868 0.083 0.000 0.872 208 T HN 0.426 nan 8.240 nan 0.000 0.411 209 E N -1.131 119.114 120.200 0.075 0.000 2.446 209 E HA 0.540 4.890 4.350 -0.000 0.000 0.269 209 E C 1.180 177.818 176.600 0.062 0.000 0.977 209 E CA -0.578 55.860 56.400 0.064 0.000 0.854 209 E CB 0.668 30.409 29.700 0.068 0.000 1.545 209 E HN 0.125 nan 8.360 nan 0.000 0.448 210 G N -0.074 108.752 108.800 0.044 0.000 2.446 210 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 210 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 210 G C 0.847 175.736 174.900 -0.018 0.000 1.168 210 G CA 1.143 46.241 45.100 -0.003 0.000 0.771 210 G HN 0.415 nan 8.290 nan 0.000 0.551 211 H N -0.900 118.206 119.070 0.060 0.000 2.649 211 H HA 0.413 4.969 4.556 -0.000 0.000 0.258 211 H C 1.880 177.240 175.328 0.053 0.000 1.165 211 H CA 0.015 56.102 56.048 0.066 0.000 1.006 211 H CB 0.620 30.415 29.762 0.055 0.000 1.743 211 H HN 0.265 nan 8.280 nan 0.000 0.609 212 S N 0.878 116.683 115.700 0.175 0.000 2.402 212 S HA -0.036 4.434 4.470 -0.000 0.000 0.229 212 S C -0.653 174.005 174.600 0.098 0.000 1.021 212 S CA 0.592 58.858 58.200 0.110 0.000 0.974 212 S CB -0.251 63.000 63.200 0.085 0.000 0.800 212 S HN 0.334 nan 8.310 nan 0.000 0.484 213 P HA 0.023 nan 4.420 nan 0.000 0.221 213 P C 1.118 178.433 177.300 0.025 0.000 1.145 213 P CA 0.885 64.047 63.100 0.103 0.000 0.795 213 P CB -0.054 31.775 31.700 0.215 0.000 0.775 214 S N -0.925 114.812 115.700 0.062 0.000 2.453 214 S HA -0.015 4.455 4.470 -0.000 0.000 0.231 214 S C 2.095 176.648 174.600 -0.079 0.000 1.005 214 S CA 1.028 59.196 58.200 -0.054 0.000 0.949 214 S CB -1.104 62.009 63.200 -0.145 0.000 0.774 214 S HN 0.270 nan 8.310 nan 0.000 0.510 215 G N 1.341 110.117 108.800 -0.040 0.000 2.586 215 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.215 215 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.215 215 G C 1.184 176.056 174.900 -0.046 0.000 1.128 215 G CA 0.173 45.250 45.100 -0.039 0.000 0.774 215 G HN 0.529 nan 8.290 nan 0.000 0.543 216 I N -0.079 120.452 120.570 -0.065 0.000 2.500 216 I HA 0.011 4.181 4.170 -0.000 0.000 0.252 216 I C 2.347 178.428 176.117 -0.059 0.000 1.142 216 I CA 0.518 61.779 61.300 -0.065 0.000 1.451 216 I CB 0.112 38.051 38.000 -0.102 0.000 1.093 216 I HN 0.110 nan 8.210 nan 0.000 0.430 217 L N 0.366 121.535 121.223 -0.090 0.000 2.265 217 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 217 L C 2.146 178.970 176.870 -0.077 0.000 1.117 217 L CA 0.844 55.623 54.840 -0.101 0.000 0.782 217 L CB -0.617 41.355 42.059 -0.145 0.000 0.914 217 L HN 0.223 nan 8.230 nan 0.000 0.441 218 E N 0.295 120.459 120.200 -0.061 0.000 2.338 218 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 218 E C 1.743 178.327 176.600 -0.027 0.000 1.007 218 E CA 0.751 57.124 56.400 -0.045 0.000 0.849 218 E CB 0.199 29.876 29.700 -0.037 0.000 0.774 218 E HN 0.181 nan 8.360 nan 0.000 0.506 219 K N -0.184 120.205 120.400 -0.019 0.000 2.393 219 K HA 0.153 4.473 4.320 -0.000 0.000 0.193 219 K C 0.181 176.791 176.600 0.017 0.000 1.026 219 K CA 0.006 56.294 56.287 0.002 0.000 1.064 219 K CB 0.344 32.850 32.500 0.011 0.000 0.833 219 K HN 0.209 nan 8.250 nan 0.000 0.521 220 I N 4.195 124.770 120.570 0.007 0.000 2.505 220 I HA 0.025 4.194 4.170 -0.000 0.000 0.287 220 I C -2.073 174.051 176.117 0.011 0.000 1.104 220 I CA -1.717 59.596 61.300 0.022 0.000 1.387 220 I CB -0.144 37.841 38.000 -0.024 0.000 1.404 220 I HN -0.224 nan 8.210 nan 0.000 0.528 221 P HA 0.064 nan 4.420 nan 0.000 0.269 221 P C -1.646 175.660 177.300 0.010 0.000 1.209 221 P CA -0.944 62.168 63.100 0.020 0.000 0.776 221 P CB -0.002 31.718 31.700 0.033 0.000 0.876 222 P HA -0.210 nan 4.420 nan 0.000 0.218 222 P C 0.089 177.388 177.300 -0.002 0.000 1.152 222 P CA 1.797 64.894 63.100 -0.005 0.000 0.857 222 P CB 0.175 31.872 31.700 -0.006 0.000 0.787 223 D N -0.427 119.976 120.400 0.004 0.000 2.443 223 D HA 0.283 4.923 4.640 -0.000 0.000 0.281 223 D C -0.748 175.563 176.300 0.018 0.000 1.210 223 D CA -0.339 53.663 54.000 0.004 0.000 0.875 223 D CB 0.307 41.104 40.800 -0.005 0.000 1.125 223 D HN 0.026 nan 8.370 nan 0.000 0.503 224 S N 0.528 116.249 115.700 0.036 0.000 2.627 224 S HA 0.747 5.217 4.470 -0.000 0.000 0.283 224 S C -0.181 174.477 174.600 0.097 0.000 1.127 224 S CA -1.012 57.232 58.200 0.073 0.000 0.863 224 S CB 2.416 65.670 63.200 0.090 0.000 1.121 224 S HN 0.127 nan 8.310 nan 0.000 0.479 225 E N -0.243 120.051 120.200 0.158 0.000 2.303 225 E HA 0.821 5.171 4.350 -0.000 0.000 0.254 225 E C -0.338 176.396 176.600 0.224 0.000 0.979 225 E CA -1.348 55.153 56.400 0.168 0.000 0.843 225 E CB 1.851 31.655 29.700 0.173 0.000 1.245 225 E HN 0.866 nan 8.360 nan 0.000 0.413 226 A N 0.166 123.113 122.820 0.212 0.000 2.437 226 A HA 0.818 5.138 4.320 -0.000 0.000 0.288 226 A C -0.927 176.791 177.584 0.224 0.000 1.201 226 A CA -0.502 51.687 52.037 0.254 0.000 0.795 226 A CB 1.842 21.041 19.000 0.332 0.000 1.359 226 A HN 0.427 nan 8.150 nan 0.000 0.435 227 T N 0.681 115.341 114.554 0.177 0.000 2.912 227 T HA 0.544 4.894 4.350 -0.000 0.000 0.299 227 T C -1.276 173.483 174.700 0.100 0.000 1.052 227 T CA -0.287 61.911 62.100 0.164 0.000 0.996 227 T CB 1.208 70.184 68.868 0.181 0.000 1.070 227 T HN 0.530 nan 8.240 nan 0.000 0.465 228 L N 3.132 124.416 121.223 0.100 0.000 2.333 228 L HA 0.701 5.041 4.340 -0.000 0.000 0.280 228 L C -1.167 175.781 176.870 0.130 0.000 1.004 228 L CA -0.878 54.013 54.840 0.085 0.000 0.820 228 L CB 1.423 43.498 42.059 0.027 0.000 1.247 228 L HN 0.435 nan 8.230 nan 0.000 0.416 229 V N 6.280 126.278 119.914 0.140 0.000 2.334 229 V HA 0.388 4.508 4.120 -0.000 0.000 0.281 229 V C -0.021 176.185 176.094 0.186 0.000 1.016 229 V CA -0.441 61.957 62.300 0.164 0.000 0.832 229 V CB 1.629 33.481 31.823 0.049 0.000 0.999 229 V HN 0.557 nan 8.190 nan 0.000 0.439 230 L N 5.734 127.077 121.223 0.199 0.000 2.287 230 L HA 0.633 4.973 4.340 -0.000 0.000 0.287 230 L C -0.509 176.594 176.870 0.388 0.000 1.022 230 L CA -0.623 54.388 54.840 0.286 0.000 0.814 230 L CB 1.827 43.912 42.059 0.044 0.000 1.217 230 L HN 0.339 nan 8.230 nan 0.000 0.420 231 V N 2.257 122.445 119.914 0.456 0.000 2.459 231 V HA 0.867 4.987 4.120 -0.000 0.000 0.295 231 V C 0.331 176.522 176.094 0.162 0.000 1.029 231 V CA -0.373 62.096 62.300 0.282 0.000 0.874 231 V CB 1.714 33.664 31.823 0.213 0.000 0.985 231 V HN 0.893 nan 8.190 nan 0.000 0.438 232 G N 4.193 112.998 108.800 0.008 0.000 2.742 232 G HA2 0.662 4.622 3.960 -0.000 0.000 0.296 232 G HA3 0.662 4.622 3.960 -0.000 0.000 0.296 232 G C -1.452 173.220 174.900 -0.380 0.000 1.436 232 G CA -0.900 44.079 45.100 -0.203 0.000 0.928 232 G HN 0.548 nan 8.290 nan 0.000 0.520 233 R N -0.120 120.120 120.500 -0.434 0.000 2.589 233 R HA 0.791 5.131 4.340 -0.000 0.000 0.293 233 R C -0.622 175.438 176.300 -0.401 0.000 0.963 233 R CA -0.688 55.097 56.100 -0.525 0.000 0.905 233 R CB 2.386 32.396 30.300 -0.483 0.000 1.144 233 R HN 0.736 nan 8.270 nan 0.000 0.459 234 A N 1.417 123.961 122.820 -0.459 0.000 2.408 234 A HA 0.217 4.537 4.320 -0.000 0.000 0.295 234 A C 0.040 177.275 177.584 -0.582 0.000 1.040 234 A CA -0.842 50.825 52.037 -0.616 0.000 0.707 234 A CB 1.140 19.522 19.000 -1.030 0.000 1.235 234 A HN 0.943 nan 8.150 nan 0.000 0.418 235 D N 1.165 121.329 120.400 -0.393 0.000 2.178 235 D HA -0.214 4.426 4.640 -0.000 0.000 0.201 235 D C 0.963 177.185 176.300 -0.130 0.000 0.980 235 D CA 1.971 55.861 54.000 -0.183 0.000 0.842 235 D CB -0.546 40.236 40.800 -0.031 0.000 0.948 235 D HN 0.612 nan 8.370 nan 0.000 0.472 236 F N 0.128 120.058 119.950 -0.034 0.000 2.748 236 F HA 0.271 4.798 4.527 -0.000 0.000 0.299 236 F C 0.554 176.339 175.800 -0.025 0.000 1.154 236 F CA -0.439 57.546 58.000 -0.024 0.000 1.446 236 F CB -0.619 38.370 39.000 -0.018 0.000 1.112 236 F HN -0.152 nan 8.300 nan 0.000 0.584 237 L N 1.844 122.890 121.223 -0.296 0.000 2.367 237 L HA 0.152 4.492 4.340 -0.000 0.000 0.275 237 L C 1.087 177.909 176.870 -0.081 0.000 1.129 237 L CA 0.004 54.740 54.840 -0.173 0.000 0.839 237 L CB 1.107 42.996 42.059 -0.284 0.000 1.133 237 L HN 0.200 nan 8.230 nan 0.000 0.453 238 E N 1.919 122.101 120.200 -0.031 0.000 2.400 238 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 238 E C -0.287 176.305 176.600 -0.014 0.000 1.012 238 E CA 0.201 56.593 56.400 -0.013 0.000 0.875 238 E CB 0.489 30.192 29.700 0.005 0.000 0.859 238 E HN 0.634 nan 8.360 nan 0.000 0.498 239 Q N -0.122 119.663 119.800 -0.024 0.000 2.472 239 Q HA 0.431 4.771 4.340 -0.000 0.000 0.281 239 Q C -3.102 172.892 176.000 -0.010 0.000 0.997 239 Q CA -2.316 53.482 55.803 -0.008 0.000 0.828 239 Q CB 1.443 30.175 28.738 -0.009 0.000 1.443 239 Q HN -0.274 nan 8.270 nan 0.000 0.390 240 P HA 0.139 nan 4.420 nan 0.000 0.271 240 P C -0.929 176.376 177.300 0.009 0.000 1.220 240 P CA -0.278 62.867 63.100 0.075 0.000 0.768 240 P CB 0.881 32.634 31.700 0.088 0.000 0.848 241 V N 2.074 121.969 119.914 -0.030 0.000 2.769 241 V HA 0.692 4.812 4.120 -0.000 0.000 0.312 241 V C -0.801 175.295 176.094 0.002 0.000 1.061 241 V CA -1.092 61.146 62.300 -0.104 0.000 0.931 241 V CB 1.949 33.511 31.823 -0.436 0.000 1.010 241 V HN 0.389 nan 8.190 nan 0.000 0.433 242 L N 3.187 124.463 121.223 0.089 0.000 2.362 242 L HA 1.008 5.348 4.340 -0.000 0.000 0.271 242 L C 0.125 177.191 176.870 0.326 0.000 1.002 242 L CA -0.184 54.752 54.840 0.160 0.000 0.818 242 L CB 1.868 43.948 42.059 0.035 0.000 1.298 242 L HN 1.080 nan 8.230 nan 0.000 0.420 243 G N 3.270 112.279 108.800 0.348 0.000 2.683 243 G HA2 0.505 4.465 3.960 -0.000 0.000 0.299 243 G HA3 0.505 4.465 3.960 -0.000 0.000 0.299 243 G C -2.066 172.892 174.900 0.097 0.000 1.432 243 G CA -0.319 44.944 45.100 0.273 0.000 0.978 243 G HN 0.448 nan 8.290 nan 0.000 0.513 244 F N 3.932 123.791 119.950 -0.151 0.000 2.449 244 F HA 0.689 5.216 4.527 -0.000 0.000 0.342 244 F C -0.838 174.846 175.800 -0.192 0.000 1.127 244 F CA -0.857 56.939 58.000 -0.339 0.000 0.975 244 F CB 2.050 40.812 39.000 -0.397 0.000 1.146 244 F HN 0.330 nan 8.300 nan 0.000 0.444 245 V N 6.843 126.255 119.914 -0.837 0.000 2.540 245 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 245 V C -0.672 174.974 176.094 -0.746 0.000 1.035 245 V CA -0.902 61.033 62.300 -0.608 0.000 0.873 245 V CB 1.894 33.493 31.823 -0.373 0.000 0.992 245 V HN 0.733 nan 8.190 nan 0.000 0.428 246 R N 4.665 124.857 120.500 -0.514 0.000 2.388 246 R HA 0.572 4.912 4.340 -0.000 0.000 0.314 246 R C -1.041 175.025 176.300 -0.390 0.000 0.959 246 R CA -0.636 55.161 56.100 -0.504 0.000 0.851 246 R CB 0.904 31.030 30.300 -0.291 0.000 1.168 246 R HN 0.724 nan 8.270 nan 0.000 0.472 247 L N 3.897 124.873 121.223 -0.412 0.000 2.456 247 L HA -0.005 4.335 4.340 -0.000 0.000 0.272 247 L C 1.650 178.382 176.870 -0.229 0.000 1.189 247 L CA -0.075 54.598 54.840 -0.277 0.000 0.846 247 L CB 0.866 42.779 42.059 -0.245 0.000 1.111 247 L HN 0.734 nan 8.230 nan 0.000 0.475 248 Q N 1.849 121.554 119.800 -0.158 0.000 2.030 248 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 248 Q C -0.207 175.729 176.000 -0.106 0.000 0.986 248 Q CA 1.708 57.442 55.803 -0.114 0.000 0.843 248 Q CB 0.331 29.016 28.738 -0.089 0.000 0.904 248 Q HN 0.496 nan 8.270 nan 0.000 0.420 249 E N -0.325 119.811 120.200 -0.107 0.000 2.246 249 E HA 0.493 4.843 4.350 -0.000 0.000 0.266 249 E C -1.294 175.244 176.600 -0.103 0.000 0.880 249 E CA -0.222 56.125 56.400 -0.088 0.000 0.762 249 E CB 1.558 31.219 29.700 -0.065 0.000 1.180 249 E HN 0.372 nan 8.360 nan 0.000 0.416 250 A N 2.188 124.949 122.820 -0.097 0.000 2.565 250 A HA 0.408 4.728 4.320 -0.000 0.000 0.237 250 A C 0.076 177.617 177.584 -0.071 0.000 1.053 250 A CA 0.685 52.666 52.037 -0.094 0.000 0.755 250 A CB 0.128 19.095 19.000 -0.055 0.000 0.980 250 A HN 0.605 nan 8.150 nan 0.000 0.506 251 A N 1.736 124.513 122.820 -0.072 0.000 2.423 251 A HA 0.680 5.000 4.320 -0.000 0.000 0.304 251 A C -0.347 177.211 177.584 -0.043 0.000 1.104 251 A CA -0.543 51.459 52.037 -0.058 0.000 0.757 251 A CB 0.998 19.956 19.000 -0.069 0.000 1.313 251 A HN 0.887 nan 8.150 nan 0.000 0.423 252 E N 1.462 121.642 120.200 -0.034 0.000 2.014 252 E HA 0.505 4.855 4.350 -0.000 0.000 0.275 252 E C -1.097 175.487 176.600 -0.027 0.000 0.997 252 E CA -0.152 56.234 56.400 -0.023 0.000 0.804 252 E CB 0.131 29.819 29.700 -0.020 0.000 1.090 252 E HN 0.535 nan 8.360 nan 0.000 0.401 253 L N 3.534 124.740 121.223 -0.028 0.000 2.357 253 L HA 0.333 4.673 4.340 -0.000 0.000 0.273 253 L C 1.293 178.153 176.870 -0.015 0.000 1.080 253 L CA -0.423 54.393 54.840 -0.041 0.000 0.803 253 L CB 1.362 43.376 42.059 -0.074 0.000 1.174 253 L HN 0.627 nan 8.230 nan 0.000 0.443 254 E N 1.239 121.431 120.200 -0.014 0.000 2.435 254 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 254 E C 1.757 178.414 176.600 0.094 0.000 1.029 254 E CA 0.762 57.185 56.400 0.038 0.000 0.865 254 E CB 0.342 30.065 29.700 0.039 0.000 0.833 254 E HN 0.832 nan 8.360 nan 0.000 0.510 255 A N 0.412 123.221 122.820 -0.018 0.000 2.067 255 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 255 A C 0.986 178.718 177.584 0.247 0.000 1.158 255 A CA 0.357 52.367 52.037 -0.046 0.000 0.661 255 A CB 0.011 18.652 19.000 -0.597 0.000 0.801 255 A HN 0.088 nan 8.150 nan 0.000 0.452 256 V N 0.620 120.632 119.914 0.164 0.000 2.583 256 V HA 0.059 4.179 4.120 -0.000 0.000 0.287 256 V C 1.394 177.477 176.094 -0.018 0.000 1.051 256 V CA 0.102 62.505 62.300 0.171 0.000 1.010 256 V CB 1.281 33.178 31.823 0.123 0.000 0.988 256 V HN 0.700 nan 8.190 nan 0.000 0.478 257 E N 3.644 123.680 120.200 -0.273 0.000 2.051 257 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 257 E C 0.290 176.731 176.600 -0.265 0.000 0.991 257 E CA 0.992 56.993 56.400 -0.664 0.000 0.799 257 E CB 0.150 29.633 29.700 -0.361 0.000 0.748 257 E HN 0.611 nan 8.360 nan 0.000 0.449 258 L N 1.363 122.479 121.223 -0.178 0.000 2.334 258 L HA 0.304 4.644 4.340 -0.000 0.000 0.275 258 L C -1.984 174.805 176.870 -0.135 0.000 1.036 258 L CA -2.113 52.598 54.840 -0.215 0.000 0.807 258 L CB 1.593 43.392 42.059 -0.434 0.000 1.231 258 L HN 0.051 nan 8.230 nan 0.000 0.438 259 P HA 0.047 nan 4.420 nan 0.000 0.228 259 P C -0.549 176.717 177.300 -0.058 0.000 1.748 259 P CA 0.059 63.122 63.100 -0.061 0.000 0.909 259 P CB -0.155 31.515 31.700 -0.050 0.000 1.882 260 V N 2.581 122.461 119.914 -0.057 0.000 2.383 260 V HA 0.223 4.343 4.120 -0.000 0.000 0.275 260 V C -2.017 174.095 176.094 0.030 0.000 1.036 260 V CA -2.184 60.104 62.300 -0.020 0.000 0.889 260 V CB 1.055 32.868 31.823 -0.017 0.000 0.985 260 V HN 0.104 nan 8.190 nan 0.000 0.459 261 P HA 0.040 nan 4.420 nan 0.000 0.260 261 P C -0.317 177.001 177.300 0.030 0.000 1.185 261 P CA 0.081 63.189 63.100 0.013 0.000 0.763 261 P CB 0.091 31.793 31.700 0.003 0.000 0.776 262 I N 4.395 124.969 120.570 0.008 0.000 2.496 262 I HA 0.099 4.269 4.170 -0.000 0.000 0.285 262 I C 1.562 177.630 176.117 -0.083 0.000 1.080 262 I CA 0.347 61.646 61.300 -0.001 0.000 1.404 262 I CB 1.027 39.014 38.000 -0.021 0.000 1.403 262 I HN 0.400 nan 8.210 nan 0.000 0.539 263 R N 5.144 125.569 120.500 -0.125 0.000 2.225 263 R HA 0.281 4.621 4.340 -0.000 0.000 0.194 263 R C -0.496 175.400 176.300 -0.674 0.000 0.949 263 R CA 0.754 56.600 56.100 -0.423 0.000 1.088 263 R CB 0.282 30.256 30.300 -0.542 0.000 1.106 263 R HN 0.367 nan 8.270 nan 0.000 0.566 264 F N -0.277 119.543 119.950 -0.215 0.000 2.593 264 F HA 0.616 5.143 4.527 -0.000 0.000 0.320 264 F C -0.866 174.758 175.800 -0.293 0.000 1.060 264 F CA -1.147 56.631 58.000 -0.370 0.000 0.940 264 F CB 1.809 40.601 39.000 -0.346 0.000 1.268 264 F HN -0.297 nan 8.300 nan 0.000 0.475 265 L N 1.268 122.351 121.223 -0.234 0.000 2.445 265 L HA 0.525 4.865 4.340 -0.000 0.000 0.262 265 L C -1.541 175.203 176.870 -0.209 0.000 0.974 265 L CA -0.280 54.474 54.840 -0.145 0.000 0.822 265 L CB 2.296 44.264 42.059 -0.152 0.000 1.339 265 L HN 0.457 nan 8.230 nan 0.000 0.409 266 F N 1.821 121.770 119.950 -0.002 0.000 2.507 266 F HA 0.647 5.174 4.527 -0.000 0.000 0.328 266 F C -0.462 175.366 175.800 0.047 0.000 1.136 266 F CA -0.822 57.202 58.000 0.038 0.000 0.930 266 F CB 2.071 41.080 39.000 0.015 0.000 1.166 266 F HN -0.006 nan 8.300 nan 0.000 0.436 267 V N 6.045 126.125 119.914 0.276 0.000 2.350 267 V HA 0.392 4.512 4.120 -0.000 0.000 0.285 267 V C -0.502 175.760 176.094 0.279 0.000 1.014 267 V CA -0.606 61.851 62.300 0.262 0.000 0.831 267 V CB 1.478 33.458 31.823 0.261 0.000 1.000 267 V HN 0.500 nan 8.190 nan 0.000 0.433 268 L N 7.092 128.460 121.223 0.240 0.000 2.294 268 L HA 0.679 5.019 4.340 -0.000 0.000 0.283 268 L C -0.570 176.407 176.870 0.178 0.000 1.015 268 L CA -0.046 54.917 54.840 0.205 0.000 0.831 268 L CB 1.162 43.337 42.059 0.194 0.000 1.217 268 L HN 0.421 nan 8.230 nan 0.000 0.420 269 L N 2.448 123.733 121.223 0.103 0.000 2.327 269 L HA 1.040 5.380 4.340 -0.000 0.000 0.258 269 L C 0.175 177.008 176.870 -0.060 0.000 1.024 269 L CA -0.670 54.146 54.840 -0.040 0.000 0.825 269 L CB 2.387 44.418 42.059 -0.047 0.000 1.386 269 L HN 0.664 nan 8.230 nan 0.000 0.417 270 G N 0.418 109.067 108.800 -0.251 0.000 2.316 270 G HA2 0.357 4.317 3.960 -0.000 0.000 0.296 270 G HA3 0.357 4.317 3.960 -0.000 0.000 0.296 270 G C -3.395 171.338 174.900 -0.278 0.000 1.399 270 G CA -0.609 44.407 45.100 -0.141 0.000 0.833 270 G HN 0.295 nan 8.290 nan 0.000 0.565 271 P HA 0.280 nan 4.420 nan 0.000 0.281 271 P C -0.419 176.855 177.300 -0.043 0.000 1.249 271 P CA -0.301 62.714 63.100 -0.142 0.000 0.810 271 P CB 1.614 33.264 31.700 -0.083 0.000 1.008 272 E N 1.174 121.328 120.200 -0.076 0.000 2.415 272 E HA 0.290 4.640 4.350 -0.000 0.000 0.260 272 E C -0.816 175.814 176.600 0.049 0.000 1.016 272 E CA -0.300 56.106 56.400 0.010 0.000 0.924 272 E CB 0.024 29.700 29.700 -0.041 0.000 0.961 272 E HN 0.453 nan 8.360 nan 0.000 0.459 273 A N 5.439 128.325 122.820 0.110 0.000 2.350 273 A HA 0.474 4.794 4.320 -0.000 0.000 0.324 273 A C -2.067 175.473 177.584 -0.073 0.000 1.118 273 A CA -1.521 50.526 52.037 0.016 0.000 0.783 273 A CB 1.296 20.315 19.000 0.032 0.000 1.236 273 A HN 0.599 nan 8.150 nan 0.000 0.457 274 P HA -0.103 nan 4.420 nan 0.000 0.218 274 P C 0.359 177.318 177.300 -0.569 0.000 1.149 274 P CA 1.406 64.257 63.100 -0.416 0.000 0.817 274 P CB 0.137 31.471 31.700 -0.610 0.000 0.785 275 H N -1.690 117.318 119.070 -0.103 0.000 2.469 275 H HA 0.393 4.949 4.556 -0.000 0.000 0.286 275 H C 0.229 175.451 175.328 -0.176 0.000 1.106 275 H CA -0.242 55.701 56.048 -0.175 0.000 1.055 275 H CB 0.225 29.857 29.762 -0.218 0.000 1.618 275 H HN 0.200 nan 8.280 nan 0.000 0.559 276 I N 1.235 121.751 120.570 -0.089 0.000 2.468 276 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 276 I C -0.515 175.469 176.117 -0.222 0.000 1.039 276 I CA -0.613 60.557 61.300 -0.216 0.000 1.074 276 I CB 2.577 40.354 38.000 -0.371 0.000 1.228 276 I HN -0.095 nan 8.210 nan 0.000 0.436 277 D N 5.890 126.187 120.400 -0.173 0.000 2.454 277 D HA 0.188 4.828 4.640 -0.000 0.000 0.225 277 D C 0.413 176.654 176.300 -0.098 0.000 1.081 277 D CA -0.269 53.706 54.000 -0.042 0.000 0.864 277 D CB 0.819 41.650 40.800 0.051 0.000 1.040 277 D HN 0.360 nan 8.370 nan 0.000 0.517 278 Y N 1.633 121.943 120.300 0.017 0.000 2.293 278 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 278 Y C 2.525 178.442 175.900 0.027 0.000 1.137 278 Y CA 0.998 59.106 58.100 0.013 0.000 1.202 278 Y CB -0.235 38.224 38.460 -0.001 0.000 0.990 278 Y HN 0.339 nan 8.280 nan 0.000 0.537 279 T N -0.358 114.299 114.554 0.172 0.000 2.708 279 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 279 T C 1.818 176.585 174.700 0.111 0.000 1.037 279 T CA 1.463 63.642 62.100 0.132 0.000 1.146 279 T CB -0.196 68.733 68.868 0.101 0.000 0.865 279 T HN 0.277 nan 8.240 nan 0.000 0.435 280 Q N 0.353 120.203 119.800 0.084 0.000 2.167 280 Q HA 0.077 4.417 4.340 -0.000 0.000 0.202 280 Q C 2.334 178.344 176.000 0.017 0.000 0.970 280 Q CA 0.702 56.545 55.803 0.067 0.000 0.855 280 Q CB -0.625 28.162 28.738 0.082 0.000 0.911 280 Q HN 0.370 nan 8.270 nan 0.000 0.438 281 L N 0.379 121.594 121.223 -0.014 0.000 2.093 281 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 281 L C 2.032 178.843 176.870 -0.099 0.000 1.085 281 L CA 1.984 56.779 54.840 -0.075 0.000 0.755 281 L CB -0.906 41.087 42.059 -0.110 0.000 0.904 281 L HN 0.189 nan 8.230 nan 0.000 0.435 282 G N -0.857 107.931 108.800 -0.019 0.000 2.402 282 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 282 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 282 G C 1.740 176.583 174.900 -0.096 0.000 1.162 282 G CA 0.611 45.690 45.100 -0.035 0.000 0.777 282 G HN 0.362 nan 8.290 nan 0.000 0.539 283 R N 0.478 121.003 120.500 0.042 0.000 2.120 283 R HA 0.041 4.380 4.340 -0.000 0.000 0.234 283 R C 2.960 179.185 176.300 -0.124 0.000 1.123 283 R CA 1.039 57.212 56.100 0.121 0.000 0.975 283 R CB -0.286 30.168 30.300 0.257 0.000 0.866 283 R HN 0.367 nan 8.270 nan 0.000 0.446 284 A N 1.296 124.021 122.820 -0.158 0.000 1.873 284 A HA -0.045 4.275 4.320 -0.000 0.000 0.215 284 A C 2.383 179.701 177.584 -0.444 0.000 1.186 284 A CA 1.438 53.345 52.037 -0.217 0.000 0.616 284 A CB -0.607 18.297 19.000 -0.161 0.000 0.823 284 A HN 0.362 nan 8.150 nan 0.000 0.442 285 A N 0.112 122.590 122.820 -0.568 0.000 1.865 285 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 285 A C 2.546 179.564 177.584 -0.943 0.000 1.191 285 A CA 2.490 53.936 52.037 -0.985 0.000 0.623 285 A CB -1.212 17.093 19.000 -1.158 0.000 0.826 285 A HN 1.130 nan 8.150 nan 0.000 0.444 286 A N -1.277 121.032 122.820 -0.851 0.000 1.933 286 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 286 A C 2.275 179.213 177.584 -1.077 0.000 1.175 286 A CA 2.314 53.706 52.037 -1.075 0.000 0.628 286 A CB -1.253 16.631 19.000 -1.859 0.000 0.814 286 A HN 0.459 nan 8.150 nan 0.000 0.444 287 T N 0.087 114.146 114.554 -0.825 0.000 2.867 287 T HA -0.030 4.319 4.350 -0.000 0.000 0.268 287 T C 1.796 176.290 174.700 -0.343 0.000 1.057 287 T CA 1.023 62.854 62.100 -0.449 0.000 1.136 287 T CB -0.256 68.553 68.868 -0.098 0.000 0.874 287 T HN 0.363 nan 8.240 nan 0.000 0.466 288 L N 0.279 121.138 121.223 -0.608 0.000 1.994 288 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 288 L C 2.533 179.041 176.870 -0.603 0.000 1.071 288 L CA 1.621 55.848 54.840 -1.020 0.000 0.745 288 L CB -0.333 40.956 42.059 -1.284 0.000 0.892 288 L HN 0.289 nan 8.230 nan 0.000 0.431 289 M N -0.339 119.019 119.600 -0.404 0.000 2.149 289 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 289 M C 2.171 178.446 176.300 -0.041 0.000 1.064 289 M CA 1.764 57.027 55.300 -0.062 0.000 1.102 289 M CB -0.370 32.232 32.600 0.004 0.000 1.369 289 M HN 0.060 nan 8.290 nan 0.000 0.408 290 S N 0.117 115.729 115.700 -0.146 0.000 2.547 290 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 290 S C 0.791 175.429 174.600 0.063 0.000 0.980 290 S CA 0.236 58.414 58.200 -0.037 0.000 0.941 290 S CB -0.494 62.658 63.200 -0.080 0.000 0.763 290 S HN 0.489 nan 8.310 nan 0.000 0.532 291 E N 1.732 121.980 120.200 0.080 0.000 2.194 291 E HA 0.134 4.484 4.350 -0.000 0.000 0.284 291 E C 1.057 177.750 176.600 0.155 0.000 1.035 291 E CA -0.287 56.207 56.400 0.156 0.000 0.836 291 E CB 0.634 30.494 29.700 0.267 0.000 1.070 291 E HN 0.195 nan 8.360 nan 0.000 0.401 292 R N 3.155 123.742 120.500 0.143 0.000 2.143 292 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 292 R C 1.782 178.129 176.300 0.078 0.000 1.126 292 R CA 2.355 58.535 56.100 0.135 0.000 0.927 292 R CB -0.414 30.006 30.300 0.200 0.000 0.860 292 R HN 0.463 nan 8.270 nan 0.000 0.433 293 V N 0.696 120.592 119.914 -0.030 0.000 2.453 293 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 293 V C 2.036 178.125 176.094 -0.008 0.000 1.068 293 V CA 2.030 64.281 62.300 -0.081 0.000 1.070 293 V CB -0.692 30.987 31.823 -0.241 0.000 0.664 293 V HN 0.387 nan 8.190 nan 0.000 0.461 294 F N 0.737 120.645 119.950 -0.071 0.000 2.234 294 F HA -0.008 4.519 4.527 -0.000 0.000 0.296 294 F C 2.553 178.295 175.800 -0.095 0.000 1.089 294 F CA 1.563 59.494 58.000 -0.115 0.000 1.343 294 F CB -0.241 38.642 39.000 -0.195 0.000 1.040 294 F HN -0.106 nan 8.300 nan 0.000 0.498 295 R N 0.731 121.250 120.500 0.032 0.000 2.083 295 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 295 R C 2.254 178.629 176.300 0.124 0.000 1.137 295 R CA 2.344 58.460 56.100 0.027 0.000 0.951 295 R CB -0.570 29.844 30.300 0.190 0.000 0.851 295 R HN 0.403 nan 8.270 nan 0.000 0.434 296 I N 0.942 121.581 120.570 0.113 0.000 2.226 296 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 296 I C 1.539 177.690 176.117 0.056 0.000 1.100 296 I CA 1.342 62.726 61.300 0.139 0.000 1.374 296 I CB -0.365 37.671 38.000 0.061 0.000 1.057 296 I HN 0.168 nan 8.210 nan 0.000 0.413 297 D N 1.162 121.486 120.400 -0.127 0.000 2.178 297 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 297 D C 2.202 178.332 176.300 -0.283 0.000 0.974 297 D CA 1.366 55.240 54.000 -0.209 0.000 0.841 297 D CB -0.165 40.451 40.800 -0.306 0.000 0.953 297 D HN 0.348 nan 8.370 nan 0.000 0.478 298 A N -0.531 122.006 122.820 -0.473 0.000 2.014 298 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 298 A C 1.821 179.445 177.584 0.068 0.000 1.163 298 A CA 0.781 52.577 52.037 -0.402 0.000 0.652 298 A CB -0.672 17.855 19.000 -0.790 0.000 0.808 298 A HN 0.253 nan 8.150 nan 0.000 0.449 299 Y N -0.893 119.497 120.300 0.150 0.000 2.314 299 Y HA 0.032 4.582 4.550 -0.000 0.000 0.294 299 Y C 2.362 178.317 175.900 0.091 0.000 1.119 299 Y CA 1.476 59.709 58.100 0.222 0.000 1.179 299 Y CB -0.056 38.508 38.460 0.173 0.000 1.025 299 Y HN 0.197 nan 8.280 nan 0.000 0.541 300 M N -0.570 119.140 119.600 0.183 0.000 2.509 300 M HA 0.193 4.673 4.480 -0.000 0.000 0.250 300 M C 0.866 177.198 176.300 0.053 0.000 1.132 300 M CA -0.137 55.221 55.300 0.097 0.000 1.080 300 M CB 0.169 32.807 32.600 0.063 0.000 1.408 300 M HN 0.034 nan 8.290 nan 0.000 0.484 301 A N 1.252 124.092 122.820 0.034 0.000 2.511 301 A HA 0.081 4.401 4.320 -0.000 0.000 0.242 301 A C 0.682 178.291 177.584 0.043 0.000 1.069 301 A CA 0.204 52.250 52.037 0.016 0.000 0.763 301 A CB 0.248 19.235 19.000 -0.021 0.000 1.001 301 A HN 0.371 nan 8.150 nan 0.000 0.498 302 Q N 0.631 120.449 119.800 0.030 0.000 2.135 302 Q HA 0.232 4.572 4.340 -0.000 0.000 0.231 302 Q C -0.554 175.465 176.000 0.031 0.000 0.817 302 Q CA 0.545 56.367 55.803 0.031 0.000 1.073 302 Q CB 0.256 29.006 28.738 0.021 0.000 1.176 302 Q HN 1.000 nan 8.270 nan 0.000 0.478 303 S N -2.178 113.543 115.700 0.036 0.000 2.597 303 S HA 0.371 4.841 4.470 -0.000 0.000 0.274 303 S C 0.226 174.848 174.600 0.037 0.000 1.132 303 S CA -0.899 57.324 58.200 0.038 0.000 0.835 303 S CB 1.843 65.055 63.200 0.021 0.000 1.092 303 S HN 0.150 nan 8.310 nan 0.000 0.457 304 R N 0.756 121.289 120.500 0.055 0.000 2.096 304 R HA -0.013 4.327 4.340 -0.000 0.000 0.235 304 R C 2.093 178.373 176.300 -0.034 0.000 1.127 304 R CA 2.012 58.139 56.100 0.045 0.000 0.968 304 R CB -1.191 29.171 30.300 0.104 0.000 0.861 304 R HN 0.884 nan 8.270 nan 0.000 0.440 305 G N 0.481 109.271 108.800 -0.017 0.000 2.462 305 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 305 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 305 G C 1.045 175.926 174.900 -0.032 0.000 1.121 305 G CA 0.782 45.862 45.100 -0.033 0.000 0.758 305 G HN 0.467 nan 8.290 nan 0.000 0.559 306 E N -0.165 120.018 120.200 -0.028 0.000 2.107 306 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 306 E C 2.506 179.069 176.600 -0.062 0.000 0.982 306 E CA 0.341 56.737 56.400 -0.006 0.000 0.809 306 E CB -0.110 29.582 29.700 -0.013 0.000 0.756 306 E HN 0.418 nan 8.360 nan 0.000 0.459 307 L N 0.547 121.678 121.223 -0.153 0.000 2.109 307 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 307 L C 2.371 179.062 176.870 -0.298 0.000 1.086 307 L CA 0.731 55.403 54.840 -0.280 0.000 0.760 307 L CB -0.327 41.512 42.059 -0.366 0.000 0.910 307 L HN 0.151 nan 8.230 nan 0.000 0.437 308 L N -0.927 120.111 121.223 -0.309 0.000 2.056 308 L HA -0.251 4.089 4.340 -0.000 0.000 0.207 308 L C 2.719 179.539 176.870 -0.085 0.000 1.078 308 L CA 1.355 56.030 54.840 -0.275 0.000 0.749 308 L CB -0.901 41.049 42.059 -0.182 0.000 0.901 308 L HN 0.404 nan 8.230 nan 0.000 0.433 309 H N -0.858 118.139 119.070 -0.122 0.000 2.387 309 H HA -0.188 4.368 4.556 -0.000 0.000 0.299 309 H C 2.437 177.738 175.328 -0.045 0.000 1.099 309 H CA 1.530 57.536 56.048 -0.070 0.000 1.315 309 H CB 0.453 30.178 29.762 -0.061 0.000 1.380 309 H HN 0.226 nan 8.280 nan 0.000 0.513 310 S N 0.047 115.682 115.700 -0.109 0.000 2.395 310 S HA -0.044 4.426 4.470 -0.000 0.000 0.225 310 S C 2.262 176.892 174.600 0.049 0.000 1.027 310 S CA 0.405 58.555 58.200 -0.082 0.000 0.965 310 S CB -0.230 62.931 63.200 -0.065 0.000 0.812 310 S HN 0.464 nan 8.310 nan 0.000 0.482 311 L N 1.402 122.625 121.223 -0.000 0.000 2.046 311 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 311 L C 2.512 179.390 176.870 0.013 0.000 1.077 311 L CA 1.589 56.383 54.840 -0.077 0.000 0.747 311 L CB -0.504 41.423 42.059 -0.220 0.000 0.896 311 L HN 0.346 nan 8.230 nan 0.000 0.432 312 E N -0.117 120.070 120.200 -0.022 0.000 2.070 312 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 312 E C 1.980 178.577 176.600 -0.006 0.000 1.004 312 E CA 1.426 57.822 56.400 -0.007 0.000 0.805 312 E CB -0.578 29.122 29.700 -0.001 0.000 0.744 312 E HN 0.632 nan 8.360 nan 0.000 0.451 313 G N 0.671 109.445 108.800 -0.043 0.000 2.418 313 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 313 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 313 G C 1.501 176.410 174.900 0.014 0.000 1.158 313 G CA 0.639 45.709 45.100 -0.049 0.000 0.771 313 G HN 0.262 nan 8.290 nan 0.000 0.545 314 F N 1.202 121.092 119.950 -0.100 0.000 2.126 314 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 314 F C 2.405 178.150 175.800 -0.092 0.000 1.096 314 F CA 1.364 59.304 58.000 -0.099 0.000 1.255 314 F CB -0.104 38.819 39.000 -0.128 0.000 0.997 314 F HN 0.060 nan 8.300 nan 0.000 0.479 315 L N -0.337 120.923 121.223 0.062 0.000 2.109 315 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 315 L C 1.918 178.740 176.870 -0.080 0.000 1.086 315 L CA 1.166 55.984 54.840 -0.037 0.000 0.760 315 L CB -0.800 41.267 42.059 0.015 0.000 0.910 315 L HN 0.009 nan 8.230 nan 0.000 0.437 316 D N -0.625 119.743 120.400 -0.054 0.000 2.263 316 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 316 D C 1.587 177.842 176.300 -0.074 0.000 0.971 316 D CA 0.955 54.926 54.000 -0.050 0.000 0.867 316 D CB -0.064 40.715 40.800 -0.035 0.000 0.929 316 D HN 0.359 nan 8.370 nan 0.000 0.492 317 C N 0.436 119.664 119.300 -0.121 0.000 2.884 317 C HA 0.315 4.775 4.460 -0.000 0.000 0.287 317 C C 0.713 175.582 174.990 -0.203 0.000 1.310 317 C CA -0.540 58.396 59.018 -0.137 0.000 1.725 317 C CB -0.852 26.810 27.740 -0.130 0.000 2.060 317 C HN -0.026 nan 8.230 nan 0.000 0.618 318 S N 1.345 116.906 115.700 -0.232 0.000 2.525 318 S HA 0.545 5.015 4.470 -0.000 0.000 0.278 318 S C -0.531 173.994 174.600 -0.125 0.000 1.234 318 S CA -0.162 57.889 58.200 -0.249 0.000 1.058 318 S CB 1.027 64.053 63.200 -0.290 0.000 0.983 318 S HN 0.525 nan 8.310 nan 0.000 0.495 319 L N 4.399 125.565 121.223 -0.095 0.000 2.307 319 L HA 0.679 5.019 4.340 -0.000 0.000 0.284 319 L C -1.288 175.565 176.870 -0.028 0.000 1.023 319 L CA -0.659 54.151 54.840 -0.049 0.000 0.810 319 L CB 1.076 43.112 42.059 -0.038 0.000 1.231 319 L HN 0.366 nan 8.230 nan 0.000 0.423 320 V N 6.061 125.965 119.914 -0.016 0.000 2.398 320 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 320 V C -0.132 175.953 176.094 -0.016 0.000 1.026 320 V CA -0.605 61.691 62.300 -0.007 0.000 0.868 320 V CB 1.676 33.497 31.823 -0.003 0.000 0.982 320 V HN 0.573 nan 8.190 nan 0.000 0.443 321 L N 7.183 128.399 121.223 -0.011 0.000 2.301 321 L HA 0.558 4.898 4.340 -0.000 0.000 0.278 321 L C -2.156 174.698 176.870 -0.026 0.000 1.022 321 L CA -1.333 53.498 54.840 -0.016 0.000 0.854 321 L CB 1.513 43.568 42.059 -0.007 0.000 1.226 321 L HN 0.540 nan 8.230 nan 0.000 0.429 322 P HA 0.210 nan 4.420 nan 0.000 0.271 322 P C -2.515 174.763 177.300 -0.036 0.000 1.238 322 P CA -0.715 62.356 63.100 -0.049 0.000 0.794 322 P CB -0.259 31.410 31.700 -0.052 0.000 0.959 323 P HA 0.107 nan 4.420 nan 0.000 0.266 323 P C -0.522 176.764 177.300 -0.024 0.000 1.215 323 P CA 0.357 63.442 63.100 -0.026 0.000 0.763 323 P CB 0.268 31.955 31.700 -0.022 0.000 0.806 324 T N 1.260 115.801 114.554 -0.021 0.000 2.907 324 T HA 0.333 4.683 4.350 -0.000 0.000 0.292 324 T C -0.020 174.670 174.700 -0.016 0.000 1.043 324 T CA -0.624 61.465 62.100 -0.018 0.000 1.003 324 T CB 0.798 69.656 68.868 -0.017 0.000 1.084 324 T HN 0.353 nan 8.240 nan 0.000 0.483 325 D N 1.717 122.108 120.400 -0.014 0.000 2.424 325 D HA 0.334 4.974 4.640 -0.000 0.000 0.220 325 D C 0.626 176.919 176.300 -0.011 0.000 1.150 325 D CA -0.378 53.614 54.000 -0.013 0.000 0.831 325 D CB -0.119 40.674 40.800 -0.012 0.000 0.981 325 D HN 0.547 nan 8.370 nan 0.000 0.500 326 A N 1.126 123.939 122.820 -0.011 0.000 2.351 326 A HA 0.501 4.821 4.320 -0.000 0.000 0.257 326 A C -2.246 175.333 177.584 -0.009 0.000 1.087 326 A CA -1.203 50.828 52.037 -0.009 0.000 0.798 326 A CB -0.176 18.819 19.000 -0.008 0.000 1.033 326 A HN -0.006 nan 8.150 nan 0.000 0.488 327 P HA 0.034 nan 4.420 nan 0.000 0.260 327 P C 0.799 178.096 177.300 -0.005 0.000 1.185 327 P CA 0.473 63.570 63.100 -0.006 0.000 0.763 327 P CB 0.545 32.243 31.700 -0.004 0.000 0.776 328 S N 3.072 118.768 115.700 -0.007 0.000 2.380 328 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 328 S C 1.540 176.140 174.600 0.000 0.000 1.050 328 S CA 1.631 59.827 58.200 -0.006 0.000 1.100 328 S CB -0.648 62.547 63.200 -0.009 0.000 0.984 328 S HN 0.604 nan 8.310 nan 0.000 0.434 329 E N 0.908 121.110 120.200 0.003 0.000 2.118 329 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 329 E C 2.433 179.037 176.600 0.007 0.000 0.992 329 E CA 1.227 57.632 56.400 0.008 0.000 0.804 329 E CB -0.219 29.487 29.700 0.009 0.000 0.741 329 E HN 0.625 nan 8.360 nan 0.000 0.458 330 Q N -0.080 119.722 119.800 0.003 0.000 2.123 330 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 330 Q C 2.223 178.224 176.000 0.001 0.000 0.966 330 Q CA 0.968 56.773 55.803 0.002 0.000 0.845 330 Q CB -0.042 28.697 28.738 0.000 0.000 0.907 330 Q HN 0.203 nan 8.270 nan 0.000 0.439 331 A N 0.559 123.379 122.820 -0.001 0.000 1.969 331 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 331 A C 1.885 179.469 177.584 -0.000 0.000 1.169 331 A CA 1.162 53.197 52.037 -0.003 0.000 0.635 331 A CB -0.234 18.762 19.000 -0.007 0.000 0.810 331 A HN 0.254 nan 8.150 nan 0.000 0.445 332 L N -1.875 119.351 121.223 0.004 0.000 2.515 332 L HA 0.177 4.516 4.340 -0.000 0.000 0.223 332 L C 1.963 178.841 176.870 0.014 0.000 1.079 332 L CA 0.050 54.896 54.840 0.010 0.000 0.857 332 L CB -0.078 41.989 42.059 0.014 0.000 1.050 332 L HN 0.231 nan 8.230 nan 0.000 0.476 333 L N -0.158 121.072 121.223 0.012 0.000 2.291 333 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 333 L C 2.646 179.522 176.870 0.009 0.000 1.120 333 L CA 1.534 56.382 54.840 0.013 0.000 0.799 333 L CB -0.502 41.564 42.059 0.012 0.000 0.925 333 L HN 0.363 nan 8.230 nan 0.000 0.446 334 S N -1.724 113.980 115.700 0.006 0.000 2.474 334 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 334 S C 1.883 176.486 174.600 0.004 0.000 0.997 334 S CA 0.682 58.884 58.200 0.004 0.000 0.949 334 S CB -0.564 62.636 63.200 0.001 0.000 0.766 334 S HN 0.466 nan 8.310 nan 0.000 0.517 335 L N 0.840 122.067 121.223 0.006 0.000 2.156 335 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 335 L C 2.549 179.423 176.870 0.007 0.000 1.095 335 L CA 0.605 55.448 54.840 0.006 0.000 0.770 335 L CB -0.984 41.081 42.059 0.010 0.000 0.914 335 L HN 0.201 nan 8.230 nan 0.000 0.439 336 V N 0.988 120.908 119.914 0.011 0.000 2.230 336 V HA -0.300 3.820 4.120 -0.000 0.000 0.256 336 V C 0.157 176.257 176.094 0.009 0.000 1.064 336 V CA 2.868 65.175 62.300 0.012 0.000 1.050 336 V CB -2.081 29.749 31.823 0.012 0.000 0.666 336 V HN 0.411 nan 8.190 nan 0.000 0.457 337 P HA -0.104 nan 4.420 nan 0.000 0.216 337 P C 1.783 179.086 177.300 0.005 0.000 1.150 337 P CA 1.768 64.872 63.100 0.005 0.000 0.837 337 P CB -0.107 31.595 31.700 0.004 0.000 0.786 338 V N 0.630 120.546 119.914 0.002 0.000 2.323 338 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 338 V C 2.987 179.081 176.094 -0.000 0.000 1.041 338 V CA 1.624 63.924 62.300 -0.001 0.000 1.025 338 V CB -1.376 30.444 31.823 -0.004 0.000 0.656 338 V HN 0.094 nan 8.190 nan 0.000 0.451 339 Q N 0.263 120.064 119.800 0.001 0.000 2.135 339 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 339 Q C 2.447 178.456 176.000 0.015 0.000 0.981 339 Q CA 1.864 57.669 55.803 0.003 0.000 0.856 339 Q CB -0.270 28.473 28.738 0.008 0.000 0.902 339 Q HN 0.597 nan 8.270 nan 0.000 0.425 340 R N 0.366 120.876 120.500 0.017 0.000 2.083 340 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 340 R C 2.018 178.334 176.300 0.027 0.000 1.137 340 R CA 1.903 58.016 56.100 0.022 0.000 0.951 340 R CB -0.148 30.160 30.300 0.014 0.000 0.851 340 R HN 0.219 nan 8.270 nan 0.000 0.434 341 E N 0.201 120.412 120.200 0.019 0.000 2.106 341 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 341 E C 2.064 178.679 176.600 0.024 0.000 0.984 341 E CA 0.848 57.260 56.400 0.020 0.000 0.806 341 E CB -0.006 29.700 29.700 0.011 0.000 0.750 341 E HN 0.380 nan 8.360 nan 0.000 0.458 342 L N 0.606 121.838 121.223 0.014 0.000 2.141 342 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 342 L C 2.521 179.407 176.870 0.025 0.000 1.094 342 L CA 0.593 55.434 54.840 0.002 0.000 0.763 342 L CB -0.348 41.697 42.059 -0.024 0.000 0.908 342 L HN 0.338 nan 8.230 nan 0.000 0.437 343 L N 0.013 121.273 121.223 0.061 0.000 2.027 343 L HA -0.237 4.103 4.340 -0.000 0.000 0.206 343 L C 2.851 179.864 176.870 0.238 0.000 1.074 343 L CA 1.447 56.378 54.840 0.151 0.000 0.745 343 L CB -0.336 41.816 42.059 0.155 0.000 0.898 343 L HN 0.307 nan 8.230 nan 0.000 0.433 344 R N 0.031 120.617 120.500 0.143 0.000 2.091 344 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 344 R C 2.320 178.697 176.300 0.127 0.000 1.136 344 R CA 1.598 57.777 56.100 0.132 0.000 0.959 344 R CB -0.103 30.234 30.300 0.062 0.000 0.856 344 R HN 0.315 nan 8.270 nan 0.000 0.437 345 R N -0.532 120.013 120.500 0.074 0.000 2.148 345 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 345 R C 2.320 178.632 176.300 0.020 0.000 1.103 345 R CA 1.129 57.253 56.100 0.040 0.000 0.983 345 R CB -0.199 30.109 30.300 0.014 0.000 0.874 345 R HN 0.059 nan 8.270 nan 0.000 0.451 346 R N 0.516 121.022 120.500 0.009 0.000 2.066 346 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 346 R C 1.097 177.292 176.300 -0.175 0.000 1.131 346 R CA 1.560 57.597 56.100 -0.106 0.000 0.955 346 R CB -0.604 29.589 30.300 -0.178 0.000 0.851 346 R HN 0.221 nan 8.270 nan 0.000 0.432 347 Y N 0.852 121.158 120.300 0.010 0.000 2.619 347 Y HA 0.086 4.636 4.550 -0.000 0.000 0.308 347 Y C 1.024 176.929 175.900 0.009 0.000 1.192 347 Y CA 0.310 58.418 58.100 0.013 0.000 1.319 347 Y CB -0.130 38.338 38.460 0.014 0.000 1.030 347 Y HN 0.164 nan 8.280 nan 0.000 0.517 348 Q N 0.000 119.845 119.800 0.075 0.000 2.315 348 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 348 Q CA 0.000 55.834 55.803 0.052 0.000 1.022 348 Q CB 0.000 28.761 28.738 0.037 0.000 1.108 348 Q HN 0.000 nan 8.270 nan 0.000 0.481