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 3b8w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQAATVVINR RALRHNLQRL RELAPASKMV AVVKANAYGH GLLETARTLP DATA SEQUENCE DADAFGVARL EEALRLRAGG ITKPVLLLEG FFDARDLPTI SAQHFHTAVH DATA SEQUENCE NEEQLAALEE ASLDEPVTVW MXLDTGMHRL GVRPEQAEAF YHRLTQCKNV DATA SEQUENCE RQPVNIVSHF ARADEPKCGA TEKQLAIFNT FCEGKPGQRS IAASGGILLW DATA SEQUENCE PQSHFDWVRP GIILYGVSPL PDRSTGADFG CQPVMSLTSS LIAVREHKAG DATA SEQUENCE EPVGYGGTWV SERDTRLGVV AMGYGDGYPR AAPSGTPVLV NGREVPIVGR DATA SEQUENCE VAMDMICVDL GPQAQDKAGD PVILWGEGLP VERIAEMTKV SAYELITRLT DATA SEQUENCE SRVAMKYVD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.279 176.300 -0.035 0.000 1.140 1 M CA 0.000 55.281 55.300 -0.031 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.034 0.000 1.302 2 Q N 1.081 120.855 119.800 -0.042 0.000 2.309 2 Q HA 0.804 5.145 4.340 0.001 0.000 0.264 2 Q C -0.950 175.014 176.000 -0.060 0.000 1.008 2 Q CA -0.105 55.668 55.803 -0.049 0.000 0.853 2 Q CB 2.332 31.041 28.738 -0.049 0.000 1.314 2 Q HN 0.794 nan 8.270 nan 0.000 0.448 3 A N 1.414 124.196 122.820 -0.064 0.000 3.837 3 A HA 0.814 5.134 4.320 0.001 0.000 0.167 3 A C -0.823 176.707 177.584 -0.090 0.000 0.997 3 A CA -0.037 51.954 52.037 -0.076 0.000 0.865 3 A CB -0.219 18.741 19.000 -0.066 0.000 1.484 3 A HN 0.723 nan 8.150 nan 0.000 0.688 4 A N 0.238 123.001 122.820 -0.096 0.000 2.553 4 A HA 0.482 4.802 4.320 0.001 0.000 0.258 4 A C 0.088 177.608 177.584 -0.107 0.000 1.069 4 A CA 1.149 53.119 52.037 -0.111 0.000 0.767 4 A CB -1.158 17.784 19.000 -0.096 0.000 0.997 4 A HN 0.766 nan 8.150 nan 0.000 0.512 5 T N 2.040 116.515 114.554 -0.132 0.000 2.933 5 T HA 0.456 4.807 4.350 0.001 0.000 0.305 5 T C -0.816 173.785 174.700 -0.165 0.000 1.092 5 T CA -0.449 61.574 62.100 -0.128 0.000 1.008 5 T CB 1.661 70.464 68.868 -0.109 0.000 1.102 5 T HN 0.431 nan 8.240 nan 0.000 0.469 6 V N 3.223 123.039 119.914 -0.165 0.000 2.370 6 V HA 0.457 4.578 4.120 0.001 0.000 0.283 6 V C -0.264 175.710 176.094 -0.200 0.000 1.023 6 V CA -0.591 61.597 62.300 -0.187 0.000 0.857 6 V CB 1.631 33.347 31.823 -0.178 0.000 0.985 6 V HN 0.737 nan 8.190 nan 0.000 0.443 7 V N 6.602 126.418 119.914 -0.163 0.000 2.370 7 V HA 0.452 4.573 4.120 0.001 0.000 0.279 7 V C -0.088 175.933 176.094 -0.121 0.000 1.029 7 V CA -0.517 61.691 62.300 -0.154 0.000 0.870 7 V CB 1.549 33.319 31.823 -0.089 0.000 0.984 7 V HN 0.555 nan 8.190 nan 0.000 0.451 8 I N 4.458 124.907 120.570 -0.202 0.000 2.339 8 I HA 0.320 4.491 4.170 0.001 0.000 0.290 8 I C 0.235 176.398 176.117 0.076 0.000 0.994 8 I CA -0.439 60.834 61.300 -0.044 0.000 1.191 8 I CB 1.336 39.254 38.000 -0.136 0.000 1.343 8 I HN 0.540 nan 8.210 nan 0.000 0.458 9 N N 6.667 125.441 118.700 0.124 0.000 2.415 9 N HA 0.164 4.904 4.740 0.001 0.000 0.246 9 N C 1.083 176.682 175.510 0.148 0.000 1.078 9 N CA -0.100 53.021 53.050 0.117 0.000 0.942 9 N CB 0.810 39.352 38.487 0.093 0.000 1.140 9 N HN 0.447 nan 8.380 nan 0.000 0.501 10 R N 2.357 122.954 120.500 0.160 0.000 2.148 10 R HA -0.050 4.291 4.340 0.001 0.000 0.227 10 R C 1.834 178.198 176.300 0.106 0.000 1.103 10 R CA 0.747 56.938 56.100 0.152 0.000 0.983 10 R CB 0.135 30.522 30.300 0.145 0.000 0.874 10 R HN 0.506 nan 8.270 nan 0.000 0.451 11 R N 0.963 121.517 120.500 0.091 0.000 2.075 11 R HA -0.059 4.281 4.340 0.001 0.000 0.232 11 R C 2.094 178.448 176.300 0.089 0.000 1.126 11 R CA 1.381 57.526 56.100 0.076 0.000 0.963 11 R CB -0.133 30.201 30.300 0.057 0.000 0.858 11 R HN 0.215 nan 8.270 nan 0.000 0.435 12 A N 0.900 123.770 122.820 0.082 0.000 1.969 12 A HA -0.116 4.204 4.320 0.001 0.000 0.218 12 A C 1.941 179.589 177.584 0.108 0.000 1.169 12 A CA 0.733 52.822 52.037 0.086 0.000 0.635 12 A CB -0.379 18.662 19.000 0.068 0.000 0.810 12 A HN 0.307 nan 8.150 nan 0.000 0.445 13 L N -0.016 121.257 121.223 0.084 0.000 1.994 13 L HA -0.103 4.238 4.340 0.001 0.000 0.208 13 L C 2.490 179.370 176.870 0.018 0.000 1.071 13 L CA 1.845 56.705 54.840 0.033 0.000 0.745 13 L CB -0.785 41.311 42.059 0.062 0.000 0.892 13 L HN 0.349 nan 8.230 nan 0.000 0.431 14 R N -1.649 118.881 120.500 0.049 0.000 2.103 14 R HA -0.261 4.080 4.340 0.001 0.000 0.242 14 R C 2.296 178.613 176.300 0.030 0.000 1.142 14 R CA 1.752 57.873 56.100 0.035 0.000 0.960 14 R CB -0.720 29.611 30.300 0.051 0.000 0.858 14 R HN 0.552 nan 8.270 nan 0.000 0.439 15 H N 0.981 120.044 119.070 -0.012 0.000 2.352 15 H HA -0.069 4.488 4.556 0.001 0.000 0.299 15 H C 1.683 176.995 175.328 -0.027 0.000 1.097 15 H CA 2.025 58.066 56.048 -0.012 0.000 1.311 15 H CB -0.017 29.745 29.762 0.000 0.000 1.377 15 H HN 0.132 nan 8.280 nan 0.000 0.504 16 N N 0.467 119.169 118.700 0.003 0.000 2.188 16 N HA -0.136 4.605 4.740 0.001 0.000 0.184 16 N C 2.154 177.576 175.510 -0.147 0.000 1.018 16 N CA 1.005 54.013 53.050 -0.071 0.000 0.858 16 N CB -0.399 38.065 38.487 -0.039 0.000 0.989 16 N HN 0.405 nan 8.380 nan 0.000 0.426 17 L N 0.709 121.851 121.223 -0.134 0.000 2.056 17 L HA -0.201 4.139 4.340 0.001 0.000 0.207 17 L C 2.339 179.122 176.870 -0.144 0.000 1.078 17 L CA 1.488 56.245 54.840 -0.139 0.000 0.749 17 L CB -0.131 41.863 42.059 -0.110 0.000 0.901 17 L HN 0.135 nan 8.230 nan 0.000 0.433 18 Q N 0.253 119.960 119.800 -0.154 0.000 2.079 18 Q HA -0.256 4.084 4.340 0.001 0.000 0.200 18 Q C 2.144 178.030 176.000 -0.190 0.000 0.974 18 Q CA 1.673 57.382 55.803 -0.158 0.000 0.840 18 Q CB -0.193 28.457 28.738 -0.148 0.000 0.898 18 Q HN 0.218 nan 8.270 nan 0.000 0.430 19 R N -0.259 120.075 120.500 -0.277 0.000 2.096 19 R HA -0.000 4.340 4.340 0.001 0.000 0.235 19 R C 1.903 178.121 176.300 -0.137 0.000 1.127 19 R CA 1.377 57.333 56.100 -0.240 0.000 0.968 19 R CB -0.591 29.523 30.300 -0.310 0.000 0.861 19 R HN 0.431 nan 8.270 nan 0.000 0.440 20 L N -0.119 121.020 121.223 -0.140 0.000 2.217 20 L HA 0.006 4.347 4.340 0.001 0.000 0.211 20 L C 2.289 179.079 176.870 -0.133 0.000 1.107 20 L CA 1.034 55.797 54.840 -0.128 0.000 0.783 20 L CB -0.230 41.743 42.059 -0.144 0.000 0.919 20 L HN 0.154 nan 8.230 nan 0.000 0.442 21 R N -0.083 120.339 120.500 -0.129 0.000 2.148 21 R HA -0.109 4.232 4.340 0.001 0.000 0.223 21 R C 1.882 178.126 176.300 -0.093 0.000 1.088 21 R CA 0.928 56.956 56.100 -0.120 0.000 0.985 21 R CB -0.124 30.108 30.300 -0.114 0.000 0.880 21 R HN 0.481 nan 8.270 nan 0.000 0.451 22 E N 0.754 120.905 120.200 -0.083 0.000 2.076 22 E HA -0.057 4.294 4.350 0.001 0.000 0.190 22 E C 1.992 178.575 176.600 -0.028 0.000 0.979 22 E CA 0.677 57.045 56.400 -0.053 0.000 0.807 22 E CB 0.071 29.739 29.700 -0.054 0.000 0.761 22 E HN 0.244 nan 8.360 nan 0.000 0.454 23 L N 0.243 121.448 121.223 -0.030 0.000 2.141 23 L HA -0.023 4.318 4.340 0.001 0.000 0.209 23 L C 1.342 178.215 176.870 0.004 0.000 1.094 23 L CA 0.543 55.385 54.840 0.005 0.000 0.763 23 L CB -0.041 42.019 42.059 0.002 0.000 0.908 23 L HN 0.011 nan 8.230 nan 0.000 0.437 24 A N -0.129 122.624 122.820 -0.113 0.000 3.150 24 A HA 0.341 4.662 4.320 0.001 0.000 0.328 24 A C -1.528 175.998 177.584 -0.095 0.000 1.104 24 A CA -1.015 50.904 52.037 -0.196 0.000 0.937 24 A CB -0.204 18.468 19.000 -0.546 0.000 1.073 24 A HN 0.004 nan 8.150 nan 0.000 0.497 25 P HA -0.130 nan 4.420 nan 0.000 0.221 25 P C 0.877 178.157 177.300 -0.034 0.000 1.145 25 P CA 1.695 64.776 63.100 -0.032 0.000 0.795 25 P CB 0.324 32.019 31.700 -0.009 0.000 0.775 26 A N -1.111 121.705 122.820 -0.007 0.000 2.500 26 A HA 0.383 4.703 4.320 0.001 0.000 0.267 26 A C 0.514 178.076 177.584 -0.036 0.000 1.290 26 A CA -0.054 51.977 52.037 -0.010 0.000 0.928 26 A CB 0.026 19.044 19.000 0.030 0.000 1.066 26 A HN 0.078 nan 8.150 nan 0.000 0.516 27 S N 0.273 115.920 115.700 -0.089 0.000 2.526 27 S HA 0.439 4.910 4.470 0.001 0.000 0.293 27 S C -0.337 174.089 174.600 -0.291 0.000 1.092 27 S CA -0.764 57.347 58.200 -0.148 0.000 0.980 27 S CB 1.694 64.845 63.200 -0.082 0.000 1.048 27 S HN 0.439 nan 8.310 nan 0.000 0.483 28 K N 0.953 121.016 120.400 -0.563 0.000 2.138 28 K HA 0.402 4.723 4.320 0.001 0.000 0.251 28 K C -0.671 175.670 176.600 -0.433 0.000 1.015 28 K CA -0.504 55.325 56.287 -0.763 0.000 0.917 28 K CB 0.351 31.811 32.500 -1.734 0.000 1.021 28 K HN 0.356 nan 8.250 nan 0.000 0.485 29 M N 1.572 121.006 119.600 -0.277 0.000 2.205 29 M HA 0.180 4.660 4.480 0.001 0.000 0.344 29 M C -1.362 174.989 176.300 0.084 0.000 1.085 29 M CA -0.499 54.755 55.300 -0.076 0.000 1.001 29 M CB 1.727 34.244 32.600 -0.138 0.000 1.626 29 M HN 0.184 nan 8.290 nan 0.000 0.442 30 V N 4.691 124.678 119.914 0.121 0.000 2.277 30 V HA 0.558 4.678 4.120 0.001 0.000 0.269 30 V C 0.139 176.211 176.094 -0.036 0.000 1.036 30 V CA -1.058 61.278 62.300 0.060 0.000 0.821 30 V CB 0.484 32.322 31.823 0.025 0.000 1.052 30 V HN 0.938 nan 8.190 nan 0.000 0.462 31 A N 5.290 128.046 122.820 -0.108 0.000 2.476 31 A HA 0.461 4.781 4.320 0.001 0.000 0.275 31 A C 0.067 177.707 177.584 0.094 0.000 1.133 31 A CA -0.038 51.971 52.037 -0.047 0.000 0.797 31 A CB 0.019 18.989 19.000 -0.050 0.000 1.081 31 A HN 0.634 nan 8.150 nan 0.000 0.510 32 V N 4.425 124.376 119.914 0.061 0.000 2.408 32 V HA 0.270 4.391 4.120 0.001 0.000 0.267 32 V C 0.738 176.988 176.094 0.260 0.000 1.047 32 V CA 0.263 62.649 62.300 0.144 0.000 0.937 32 V CB 1.009 32.912 31.823 0.134 0.000 0.999 32 V HN 0.977 nan 8.190 nan 0.000 0.472 33 V N 2.440 122.525 119.914 0.285 0.000 2.778 33 V HA 0.382 4.503 4.120 0.001 0.000 0.356 33 V C 0.300 176.538 176.094 0.241 0.000 1.283 33 V CA -0.722 61.761 62.300 0.305 0.000 1.247 33 V CB -0.395 31.549 31.823 0.201 0.000 1.408 33 V HN 0.849 nan 8.190 nan 0.000 0.620 34 K N 0.589 121.154 120.400 0.274 0.000 2.098 34 K HA 0.815 5.136 4.320 0.001 0.000 0.257 34 K C 0.692 177.343 176.600 0.085 0.000 0.999 34 K CA 0.019 56.388 56.287 0.136 0.000 0.924 34 K CB 1.569 34.130 32.500 0.103 0.000 1.028 34 K HN 1.217 nan 8.250 nan 0.000 0.466 35 A N 1.351 124.182 122.820 0.020 0.000 2.872 35 A HA -0.240 4.080 4.320 0.001 0.000 0.273 35 A C 0.249 177.847 177.584 0.023 0.000 1.442 35 A CA 1.064 53.092 52.037 -0.016 0.000 0.801 35 A CB -2.496 16.436 19.000 -0.113 0.000 1.031 35 A HN 1.074 nan 8.150 nan 0.000 0.582 36 N N -3.271 115.464 118.700 0.059 0.000 2.858 36 N HA 0.094 4.834 4.740 0.001 0.000 0.247 36 N C 0.356 175.947 175.510 0.135 0.000 1.092 36 N CA 2.244 55.342 53.050 0.080 0.000 0.675 36 N CB -1.732 36.791 38.487 0.059 0.000 0.959 36 N HN 2.323 nan 8.380 nan 0.000 0.558 37 A N 0.595 123.527 122.820 0.186 0.000 2.462 37 A HA -0.219 4.101 4.320 0.001 0.000 0.294 37 A C 0.702 178.403 177.584 0.196 0.000 1.461 37 A CA 1.679 53.883 52.037 0.278 0.000 0.765 37 A CB -2.219 16.960 19.000 0.298 0.000 1.071 37 A HN 1.385 nan 8.150 nan 0.000 0.401 38 Y N -3.210 117.049 120.300 -0.069 0.000 4.032 38 Y HA -0.142 4.408 4.550 0.001 0.000 0.230 38 Y C 1.896 177.775 175.900 -0.035 0.000 1.202 38 Y CA 1.825 59.846 58.100 -0.132 0.000 1.878 38 Y CB -1.611 36.546 38.460 -0.504 0.000 1.586 38 Y HN 2.371 nan 8.280 nan 0.000 0.673 39 G N -1.625 107.217 108.800 0.070 0.000 2.176 39 G HA2 -0.395 3.566 3.960 0.001 0.000 0.253 39 G HA3 -0.395 3.566 3.960 0.001 0.000 0.253 39 G C 0.512 175.353 174.900 -0.097 0.000 0.979 39 G CA 0.658 45.742 45.100 -0.027 0.000 0.641 39 G HN 0.633 nan 8.290 nan 0.000 0.530 40 H N 0.062 119.126 119.070 -0.010 0.000 2.595 40 H HA 0.477 5.034 4.556 0.001 0.000 0.265 40 H C 1.535 176.970 175.328 0.179 0.000 0.953 40 H CA 1.375 57.463 56.048 0.067 0.000 1.197 40 H CB 0.778 30.595 29.762 0.092 0.000 1.438 40 H HN 1.498 nan 8.280 nan 0.000 0.531 41 G N 0.370 109.329 108.800 0.264 0.000 3.233 41 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 41 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 41 G C 0.168 175.170 174.900 0.170 0.000 1.153 41 G CA -0.100 45.134 45.100 0.224 0.000 0.853 41 G HN 0.307 nan 8.290 nan 0.000 0.582 42 L N 3.057 124.335 121.223 0.092 0.000 2.068 42 L HA 0.376 4.717 4.340 0.001 0.000 0.204 42 L C 2.434 179.281 176.870 -0.039 0.000 1.076 42 L CA 2.429 57.295 54.840 0.043 0.000 0.753 42 L CB -0.438 41.632 42.059 0.018 0.000 0.910 42 L HN 0.828 nan 8.230 nan 0.000 0.439 43 L N -0.419 120.775 121.223 -0.049 0.000 2.072 43 L HA -0.044 4.296 4.340 0.001 0.000 0.205 43 L C 2.421 179.217 176.870 -0.123 0.000 1.079 43 L CA 1.476 56.255 54.840 -0.102 0.000 0.752 43 L CB -0.677 41.337 42.059 -0.076 0.000 0.906 43 L HN 0.255 nan 8.230 nan 0.000 0.436 44 E N -0.642 119.482 120.200 -0.127 0.000 2.110 44 E HA -0.162 4.189 4.350 0.001 0.000 0.193 44 E C 2.127 178.670 176.600 -0.095 0.000 0.988 44 E CA 1.676 57.924 56.400 -0.253 0.000 0.804 44 E CB -0.590 28.698 29.700 -0.687 0.000 0.745 44 E HN 0.491 nan 8.360 nan 0.000 0.458 45 T N 1.046 115.625 114.554 0.042 0.000 2.821 45 T HA -0.059 4.291 4.350 0.001 0.000 0.267 45 T C 1.874 176.598 174.700 0.041 0.000 1.046 45 T CA 1.265 63.438 62.100 0.122 0.000 1.139 45 T CB -0.091 68.919 68.868 0.237 0.000 0.871 45 T HN 0.264 nan 8.240 nan 0.000 0.454 46 A N 1.877 124.618 122.820 -0.132 0.000 1.897 46 A HA -0.038 4.282 4.320 0.001 0.000 0.215 46 A C 2.322 179.859 177.584 -0.078 0.000 1.181 46 A CA 0.952 52.760 52.037 -0.383 0.000 0.620 46 A CB -0.379 18.105 19.000 -0.859 0.000 0.821 46 A HN 0.362 nan 8.150 nan 0.000 0.443 47 R N -0.637 119.812 120.500 -0.084 0.000 2.237 47 R HA -0.055 4.286 4.340 0.001 0.000 0.219 47 R C 1.489 177.798 176.300 0.015 0.000 1.080 47 R CA 1.495 57.577 56.100 -0.030 0.000 0.995 47 R CB -0.480 29.776 30.300 -0.074 0.000 0.875 47 R HN 0.478 nan 8.270 nan 0.000 0.462 48 T N 0.614 115.187 114.554 0.031 0.000 3.067 48 T HA 0.135 4.485 4.350 0.001 0.000 0.261 48 T C 0.919 175.669 174.700 0.083 0.000 1.110 48 T CA 0.624 62.757 62.100 0.055 0.000 1.113 48 T CB 0.229 69.142 68.868 0.075 0.000 0.917 48 T HN 0.092 nan 8.240 nan 0.000 0.499 49 L N 2.360 123.667 121.223 0.140 0.000 2.892 49 L HA 0.262 4.603 4.340 0.001 0.000 0.251 49 L C -1.665 175.319 176.870 0.189 0.000 1.339 49 L CA -1.402 53.528 54.840 0.151 0.000 0.900 49 L CB 1.003 43.165 42.059 0.171 0.000 1.246 49 L HN -0.075 nan 8.230 nan 0.000 0.524 50 P HA -0.135 nan 4.420 nan 0.000 0.239 50 P C 0.633 177.965 177.300 0.053 0.000 1.184 50 P CA 0.932 64.105 63.100 0.121 0.000 0.760 50 P CB 0.410 32.157 31.700 0.079 0.000 0.884 51 D N -0.114 120.296 120.400 0.017 0.000 2.354 51 D HA 0.115 4.755 4.640 0.001 0.000 0.209 51 D C 0.616 176.864 176.300 -0.085 0.000 1.015 51 D CA -0.073 53.910 54.000 -0.029 0.000 0.867 51 D CB -0.178 40.603 40.800 -0.031 0.000 0.933 51 D HN -0.011 nan 8.370 nan 0.000 0.520 52 A N 0.566 123.298 122.820 -0.147 0.000 2.511 52 A HA 0.038 4.359 4.320 0.001 0.000 0.242 52 A C 1.094 178.522 177.584 -0.259 0.000 1.069 52 A CA -0.009 51.852 52.037 -0.293 0.000 0.763 52 A CB 0.270 18.890 19.000 -0.634 0.000 1.001 52 A HN 0.211 nan 8.150 nan 0.000 0.498 53 D N 0.904 121.210 120.400 -0.157 0.000 2.178 53 D HA 0.155 4.795 4.640 0.001 0.000 0.202 53 D C 0.812 177.154 176.300 0.069 0.000 0.974 53 D CA 1.994 55.993 54.000 -0.002 0.000 0.841 53 D CB 0.136 40.934 40.800 -0.003 0.000 0.953 53 D HN 0.760 nan 8.370 nan 0.000 0.478 54 A N -0.641 122.124 122.820 -0.092 0.000 2.586 54 A HA 0.581 4.901 4.320 0.001 0.000 0.290 54 A C -1.845 175.472 177.584 -0.444 0.000 1.086 54 A CA -0.718 51.221 52.037 -0.164 0.000 0.665 54 A CB 0.760 19.765 19.000 0.008 0.000 1.279 54 A HN -0.015 nan 8.150 nan 0.000 0.423 55 F N 0.008 119.960 119.950 0.003 0.000 2.520 55 F HA 0.622 5.149 4.527 0.001 0.000 0.322 55 F C 0.878 176.647 175.800 -0.051 0.000 1.103 55 F CA -0.227 57.766 58.000 -0.012 0.000 0.926 55 F CB 2.755 41.752 39.000 -0.006 0.000 1.154 55 F HN 0.802 nan 8.300 nan 0.000 0.453 56 G N 1.696 110.585 108.800 0.147 0.000 2.379 56 G HA2 0.633 4.594 3.960 0.001 0.000 0.327 56 G HA3 0.633 4.594 3.960 0.001 0.000 0.327 56 G C -1.281 173.656 174.900 0.061 0.000 1.145 56 G CA -0.743 44.380 45.100 0.040 0.000 0.905 56 G HN 0.684 nan 8.290 nan 0.000 0.466 57 V N -0.684 119.228 119.914 -0.004 0.000 3.102 57 V HA 0.848 4.969 4.120 0.001 0.000 0.312 57 V C 0.816 176.897 176.094 -0.022 0.000 1.135 57 V CA -0.269 62.026 62.300 -0.008 0.000 1.022 57 V CB 1.392 33.175 31.823 -0.068 0.000 1.056 57 V HN 0.991 nan 8.190 nan 0.000 0.436 58 A N 1.333 124.154 122.820 0.001 0.000 1.975 58 A HA 0.443 4.763 4.320 0.001 0.000 0.215 58 A C 1.220 178.819 177.584 0.026 0.000 1.170 58 A CA 0.795 52.847 52.037 0.026 0.000 0.656 58 A CB -0.115 18.913 19.000 0.046 0.000 0.821 58 A HN 0.855 nan 8.150 nan 0.000 0.449 59 R N -2.040 118.444 120.500 -0.026 0.000 2.808 59 R HA 0.523 4.863 4.340 0.001 0.000 0.272 59 R C 0.610 176.813 176.300 -0.160 0.000 0.995 59 R CA -0.627 55.431 56.100 -0.071 0.000 0.917 59 R CB 1.130 31.469 30.300 0.065 0.000 1.217 59 R HN 0.152 nan 8.270 nan 0.000 0.471 60 L N 1.374 122.467 121.223 -0.218 0.000 2.093 60 L HA -0.120 4.221 4.340 0.001 0.000 0.208 60 L C 0.870 177.672 176.870 -0.112 0.000 1.085 60 L CA 1.730 56.457 54.840 -0.188 0.000 0.755 60 L CB -0.006 41.974 42.059 -0.131 0.000 0.904 60 L HN 0.736 nan 8.230 nan 0.000 0.435 61 E N 0.392 120.563 120.200 -0.049 0.000 2.136 61 E HA -0.304 4.046 4.350 0.001 0.000 0.202 61 E C 1.925 178.506 176.600 -0.031 0.000 1.019 61 E CA 2.061 58.454 56.400 -0.011 0.000 0.819 61 E CB -0.201 29.511 29.700 0.020 0.000 0.739 61 E HN 0.589 nan 8.360 nan 0.000 0.458 62 E N 0.109 120.272 120.200 -0.060 0.000 2.107 62 E HA -0.085 4.265 4.350 0.001 0.000 0.191 62 E C 2.115 178.645 176.600 -0.116 0.000 0.982 62 E CA 0.811 57.173 56.400 -0.064 0.000 0.809 62 E CB -0.143 29.526 29.700 -0.052 0.000 0.756 62 E HN 0.313 nan 8.360 nan 0.000 0.459 63 A N 1.345 124.024 122.820 -0.234 0.000 1.898 63 A HA -0.125 4.195 4.320 0.001 0.000 0.216 63 A C 2.203 179.690 177.584 -0.162 0.000 1.181 63 A CA 0.927 52.708 52.037 -0.427 0.000 0.620 63 A CB -0.598 17.751 19.000 -1.085 0.000 0.819 63 A HN 0.110 nan 8.150 nan 0.000 0.442 64 L N -1.292 119.922 121.223 -0.014 0.000 2.046 64 L HA -0.159 4.181 4.340 0.001 0.000 0.208 64 L C 2.795 179.727 176.870 0.103 0.000 1.077 64 L CA 1.429 56.386 54.840 0.194 0.000 0.747 64 L CB -0.397 41.754 42.059 0.153 0.000 0.896 64 L HN 0.327 nan 8.230 nan 0.000 0.432 65 R N -0.225 120.296 120.500 0.035 0.000 2.159 65 R HA -0.138 4.202 4.340 0.001 0.000 0.237 65 R C 2.236 178.538 176.300 0.003 0.000 1.131 65 R CA 1.124 57.234 56.100 0.016 0.000 0.982 65 R CB -0.165 30.135 30.300 0.000 0.000 0.868 65 R HN 0.330 nan 8.270 nan 0.000 0.453 66 L N -0.291 120.927 121.223 -0.008 0.000 2.044 66 L HA -0.129 4.212 4.340 0.001 0.000 0.205 66 L C 2.473 179.360 176.870 0.029 0.000 1.075 66 L CA 0.982 55.801 54.840 -0.034 0.000 0.747 66 L CB -0.330 41.682 42.059 -0.078 0.000 0.903 66 L HN 0.096 nan 8.230 nan 0.000 0.435 67 R N 0.249 120.818 120.500 0.115 0.000 2.105 67 R HA -0.133 4.207 4.340 0.001 0.000 0.239 67 R C 2.198 178.540 176.300 0.069 0.000 1.135 67 R CA 1.467 57.645 56.100 0.129 0.000 0.967 67 R CB -0.771 29.654 30.300 0.209 0.000 0.861 67 R HN 0.367 nan 8.270 nan 0.000 0.442 68 A N 0.084 122.939 122.820 0.057 0.000 1.969 68 A HA -0.020 4.301 4.320 0.001 0.000 0.218 68 A C 2.174 179.768 177.584 0.016 0.000 1.169 68 A CA 1.576 53.634 52.037 0.034 0.000 0.635 68 A CB -0.567 18.452 19.000 0.032 0.000 0.810 68 A HN 0.407 nan 8.150 nan 0.000 0.445 69 G N -2.110 106.694 108.800 0.005 0.000 2.920 69 G HA2 0.364 4.324 3.960 0.001 0.000 0.208 69 G HA3 0.364 4.324 3.960 0.001 0.000 0.208 69 G C 1.081 175.974 174.900 -0.011 0.000 1.159 69 G CA 0.542 45.635 45.100 -0.012 0.000 0.784 69 G HN 1.625 nan 8.290 nan 0.000 0.535 70 G N -0.534 108.269 108.800 0.005 0.000 2.159 70 G HA2 -0.237 3.724 3.960 0.001 0.000 0.227 70 G HA3 -0.237 3.724 3.960 0.001 0.000 0.227 70 G C 0.185 175.095 174.900 0.017 0.000 0.986 70 G CA -0.131 44.975 45.100 0.010 0.000 0.651 70 G HN 0.293 nan 8.290 nan 0.000 0.523 71 I N 1.403 121.979 120.570 0.010 0.000 2.618 71 I HA 0.414 4.585 4.170 0.001 0.000 0.284 71 I C 1.536 177.703 176.117 0.084 0.000 1.146 71 I CA 1.264 62.581 61.300 0.028 0.000 1.425 71 I CB 1.476 39.441 38.000 -0.059 0.000 1.383 71 I HN 0.059 nan 8.210 nan 0.000 0.562 72 T N 4.039 118.659 114.554 0.109 0.000 2.955 72 T HA 0.125 4.475 4.350 0.001 0.000 0.251 72 T C 0.846 175.615 174.700 0.116 0.000 1.002 72 T CA -0.122 62.034 62.100 0.092 0.000 0.970 72 T CB 0.105 69.007 68.868 0.056 0.000 1.091 72 T HN 0.378 nan 8.240 nan 0.000 0.495 73 K N 2.078 122.583 120.400 0.174 0.000 2.230 73 K HA 0.222 4.543 4.320 0.001 0.000 0.253 73 K C -2.739 173.959 176.600 0.164 0.000 1.008 73 K CA -1.528 54.862 56.287 0.171 0.000 0.910 73 K CB 0.295 32.940 32.500 0.241 0.000 0.994 73 K HN -0.043 nan 8.250 nan 0.000 0.495 74 P HA 0.064 nan 4.420 nan 0.000 0.275 74 P C -1.404 175.883 177.300 -0.023 0.000 1.227 74 P CA -0.323 62.719 63.100 -0.097 0.000 0.781 74 P CB 0.933 32.451 31.700 -0.304 0.000 0.906 75 V N 4.442 124.365 119.914 0.015 0.000 2.448 75 V HA 0.296 4.416 4.120 0.001 0.000 0.295 75 V C -0.211 175.852 176.094 -0.052 0.000 1.025 75 V CA -0.721 61.596 62.300 0.029 0.000 0.859 75 V CB 1.697 33.512 31.823 -0.014 0.000 0.988 75 V HN 0.345 nan 8.190 nan 0.000 0.431 76 L N 6.339 127.523 121.223 -0.065 0.000 2.257 76 L HA 0.507 4.848 4.340 0.001 0.000 0.290 76 L C -0.317 176.508 176.870 -0.076 0.000 1.044 76 L CA 0.111 54.916 54.840 -0.058 0.000 0.810 76 L CB 0.888 42.846 42.059 -0.170 0.000 1.193 76 L HN 0.555 nan 8.230 nan 0.000 0.425 77 L N 7.098 128.300 121.223 -0.035 0.000 2.385 77 L HA 0.125 4.465 4.340 0.001 0.000 0.285 77 L C 1.240 178.096 176.870 -0.023 0.000 1.125 77 L CA -0.164 54.642 54.840 -0.057 0.000 0.890 77 L CB 0.357 42.400 42.059 -0.027 0.000 1.251 77 L HN 0.795 nan 8.230 nan 0.000 0.445 78 L N 1.988 123.181 121.223 -0.051 0.000 2.187 78 L HA -0.170 4.170 4.340 0.001 0.000 0.213 78 L C 1.563 178.445 176.870 0.021 0.000 1.100 78 L CA 1.453 56.261 54.840 -0.054 0.000 0.765 78 L CB -0.159 41.849 42.059 -0.085 0.000 0.904 78 L HN 0.667 nan 8.230 nan 0.000 0.437 79 E N -0.834 119.411 120.200 0.076 0.000 2.526 79 E HA 0.259 4.609 4.350 0.001 0.000 0.208 79 E C 0.949 177.700 176.600 0.251 0.000 0.997 79 E CA 0.300 56.832 56.400 0.219 0.000 0.961 79 E CB 0.692 30.584 29.700 0.319 0.000 1.030 79 E HN 0.405 nan 8.360 nan 0.000 0.483 80 G N 1.990 110.839 108.800 0.081 0.000 2.642 80 G HA2 -0.283 3.677 3.960 0.001 0.000 0.231 80 G HA3 -0.283 3.677 3.960 0.001 0.000 0.231 80 G C -0.356 174.477 174.900 -0.111 0.000 1.338 80 G CA -0.231 44.872 45.100 0.006 0.000 0.883 80 G HN 0.265 nan 8.290 nan 0.000 0.570 81 F N -1.920 117.935 119.950 -0.160 0.000 2.458 81 F HA 0.806 5.334 4.527 0.001 0.000 0.330 81 F C 0.628 176.398 175.800 -0.051 0.000 1.082 81 F CA -1.474 56.374 58.000 -0.253 0.000 0.995 81 F CB 1.013 39.950 39.000 -0.105 0.000 1.170 81 F HN 0.197 nan 8.300 nan 0.000 0.478 82 F N -0.283 119.741 119.950 0.123 0.000 2.754 82 F HA 0.234 4.762 4.527 0.001 0.000 0.297 82 F C 0.420 176.275 175.800 0.093 0.000 1.122 82 F CA -0.313 57.712 58.000 0.042 0.000 1.400 82 F CB -0.184 38.847 39.000 0.052 0.000 1.117 82 F HN 0.528 nan 8.300 nan 0.000 0.587 83 D N -0.649 119.962 120.400 0.351 0.000 2.964 83 D HA 0.423 5.063 4.640 0.001 0.000 0.234 83 D C 0.735 177.243 176.300 0.346 0.000 1.223 83 D CA -0.057 54.110 54.000 0.277 0.000 0.889 83 D CB 2.539 43.453 40.800 0.191 0.000 1.609 83 D HN -0.008 nan 8.370 nan 0.000 0.523 84 A N 3.803 126.788 122.820 0.276 0.000 2.019 84 A HA -0.156 4.165 4.320 0.001 0.000 0.219 84 A C 1.734 179.359 177.584 0.068 0.000 1.164 84 A CA 1.075 53.248 52.037 0.225 0.000 0.644 84 A CB -0.182 18.914 19.000 0.161 0.000 0.805 84 A HN 0.627 nan 8.150 nan 0.000 0.449 85 R N -0.152 120.388 120.500 0.067 0.000 2.339 85 R HA -0.025 4.315 4.340 0.001 0.000 0.199 85 R C 0.345 176.640 176.300 -0.008 0.000 1.018 85 R CA 0.836 56.948 56.100 0.020 0.000 1.036 85 R CB -0.100 30.219 30.300 0.033 0.000 0.899 85 R HN 0.454 nan 8.270 nan 0.000 0.473 86 D N 0.525 120.918 120.400 -0.011 0.000 2.327 86 D HA -0.003 4.638 4.640 0.001 0.000 0.205 86 D C 1.838 178.036 176.300 -0.170 0.000 0.989 86 D CA 0.361 54.332 54.000 -0.048 0.000 0.873 86 D CB 0.158 40.969 40.800 0.019 0.000 0.955 86 D HN 0.163 nan 8.370 nan 0.000 0.515 87 L N 1.133 122.176 121.223 -0.300 0.000 2.081 87 L HA -0.170 4.170 4.340 0.001 0.000 0.212 87 L C -0.512 176.221 176.870 -0.229 0.000 1.080 87 L CA 1.506 56.118 54.840 -0.381 0.000 0.754 87 L CB -1.477 40.349 42.059 -0.388 0.000 0.893 87 L HN 0.061 nan 8.230 nan 0.000 0.433 88 P HA -0.091 nan 4.420 nan 0.000 0.219 88 P C 1.599 178.813 177.300 -0.144 0.000 1.150 88 P CA 1.235 64.253 63.100 -0.136 0.000 0.814 88 P CB -0.000 31.641 31.700 -0.097 0.000 0.787 89 T N -0.362 114.118 114.554 -0.123 0.000 2.770 89 T HA -0.028 4.323 4.350 0.001 0.000 0.263 89 T C 1.765 176.350 174.700 -0.190 0.000 1.039 89 T CA 0.910 62.935 62.100 -0.124 0.000 1.142 89 T CB -0.863 67.977 68.868 -0.045 0.000 0.868 89 T HN 0.023 nan 8.240 nan 0.000 0.435 90 I N 1.227 121.727 120.570 -0.117 0.000 2.194 90 I HA -0.233 3.938 4.170 0.001 0.000 0.246 90 I C 2.741 178.733 176.117 -0.208 0.000 1.093 90 I CA 1.266 62.525 61.300 -0.069 0.000 1.355 90 I CB -0.411 37.578 38.000 -0.019 0.000 1.046 90 I HN 0.251 nan 8.210 nan 0.000 0.413 91 S N 0.419 115.980 115.700 -0.231 0.000 2.357 91 S HA -0.111 4.359 4.470 0.001 0.000 0.221 91 S C 2.219 176.561 174.600 -0.429 0.000 1.031 91 S CA 1.216 59.257 58.200 -0.265 0.000 0.982 91 S CB -0.233 62.841 63.200 -0.210 0.000 0.853 91 S HN 0.445 nan 8.310 nan 0.000 0.458 92 A N 0.915 123.510 122.820 -0.375 0.000 1.930 92 A HA -0.012 4.308 4.320 0.001 0.000 0.217 92 A C 2.146 179.444 177.584 -0.476 0.000 1.175 92 A CA 1.207 53.011 52.037 -0.389 0.000 0.627 92 A CB -0.505 18.360 19.000 -0.224 0.000 0.815 92 A HN 0.598 nan 8.150 nan 0.000 0.443 93 Q N -1.048 118.425 119.800 -0.546 0.000 2.444 93 Q HA -0.001 4.339 4.340 0.001 0.000 0.206 93 Q C -0.626 175.061 176.000 -0.520 0.000 0.948 93 Q CA 0.520 55.916 55.803 -0.677 0.000 0.946 93 Q CB -0.187 27.668 28.738 -1.473 0.000 1.027 93 Q HN 0.878 nan 8.270 nan 0.000 0.513 94 H N -1.315 117.559 119.070 -0.326 0.000 2.756 94 H HA -0.159 4.397 4.556 0.001 0.000 0.315 94 H C -0.931 174.460 175.328 0.105 0.000 1.210 94 H CA 0.376 56.385 56.048 -0.064 0.000 1.150 94 H CB -2.553 27.205 29.762 -0.007 0.000 1.463 94 H HN 0.205 nan 8.280 nan 0.000 0.427 95 F N 0.345 120.377 119.950 0.136 0.000 2.394 95 F HA 0.302 4.829 4.527 0.001 0.000 0.340 95 F C 1.387 177.346 175.800 0.265 0.000 1.105 95 F CA -0.804 57.270 58.000 0.124 0.000 1.124 95 F CB 0.888 39.918 39.000 0.050 0.000 1.145 95 F HN 0.261 nan 8.300 nan 0.000 0.505 96 H N 0.833 120.067 119.070 0.274 0.000 2.467 96 H HA 0.315 4.872 4.556 0.001 0.000 0.331 96 H C -0.240 175.210 175.328 0.203 0.000 1.120 96 H CA -0.686 55.491 56.048 0.215 0.000 1.270 96 H CB 2.159 32.062 29.762 0.235 0.000 1.466 96 H HN 0.453 nan 8.280 nan 0.000 0.504 97 T N 0.861 115.618 114.554 0.339 0.000 2.906 97 T HA 0.585 4.936 4.350 0.001 0.000 0.295 97 T C -0.816 174.063 174.700 0.298 0.000 1.075 97 T CA -0.596 61.673 62.100 0.282 0.000 1.005 97 T CB 1.190 70.243 68.868 0.308 0.000 1.136 97 T HN 0.715 nan 8.240 nan 0.000 0.498 98 A N 1.956 124.911 122.820 0.226 0.000 2.279 98 A HA 0.769 5.089 4.320 0.001 0.000 0.303 98 A C -0.848 176.834 177.584 0.164 0.000 1.108 98 A CA -0.477 51.692 52.037 0.220 0.000 0.830 98 A CB 0.780 19.877 19.000 0.162 0.000 1.106 98 A HN 0.738 nan 8.150 nan 0.000 0.493 99 V N 2.187 122.201 119.914 0.166 0.000 2.488 99 V HA 0.326 4.447 4.120 0.001 0.000 0.293 99 V C -0.146 176.015 176.094 0.112 0.000 1.027 99 V CA -0.168 62.195 62.300 0.106 0.000 0.862 99 V CB 1.050 33.026 31.823 0.256 0.000 1.008 99 V HN 1.160 nan 8.190 nan 0.000 0.428 100 H N 1.993 121.094 119.070 0.051 0.000 3.046 100 H HA 0.384 4.941 4.556 0.001 0.000 0.262 100 H C 0.330 175.597 175.328 -0.102 0.000 1.044 100 H CA -0.009 55.982 56.048 -0.095 0.000 1.209 100 H CB 0.287 30.005 29.762 -0.073 0.000 1.507 100 H HN 0.609 nan 8.280 nan 0.000 0.507 101 N N -0.419 118.322 118.700 0.069 0.000 2.761 101 N HA 0.111 4.852 4.740 0.001 0.000 0.283 101 N C 0.627 176.326 175.510 0.314 0.000 1.377 101 N CA -0.581 52.588 53.050 0.199 0.000 0.791 101 N CB 1.622 40.192 38.487 0.138 0.000 1.540 101 N HN 0.092 nan 8.380 nan 0.000 0.539 102 E N -0.286 120.055 120.200 0.235 0.000 2.190 102 E HA 0.011 4.361 4.350 0.001 0.000 0.191 102 E C 0.705 177.336 176.600 0.052 0.000 0.978 102 E CA 0.934 57.425 56.400 0.151 0.000 0.839 102 E CB -0.019 29.759 29.700 0.130 0.000 0.787 102 E HN 0.619 nan 8.360 nan 0.000 0.473 103 E N 0.889 121.114 120.200 0.041 0.000 2.048 103 E HA -0.263 4.087 4.350 0.001 0.000 0.202 103 E C 2.147 178.749 176.600 0.003 0.000 1.021 103 E CA 2.181 58.591 56.400 0.017 0.000 0.825 103 E CB -0.221 29.481 29.700 0.003 0.000 0.756 103 E HN 0.396 nan 8.360 nan 0.000 0.454 104 Q N -0.293 119.443 119.800 -0.107 0.000 2.050 104 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 104 Q C 2.294 178.354 176.000 0.101 0.000 0.980 104 Q CA 1.185 56.880 55.803 -0.179 0.000 0.840 104 Q CB -0.242 28.166 28.738 -0.551 0.000 0.898 104 Q HN 0.197 nan 8.270 nan 0.000 0.424 105 L N 0.784 122.010 121.223 0.005 0.000 1.994 105 L HA -0.099 4.241 4.340 0.001 0.000 0.208 105 L C 2.195 179.022 176.870 -0.071 0.000 1.071 105 L CA 2.219 56.990 54.840 -0.115 0.000 0.745 105 L CB -0.944 40.835 42.059 -0.466 0.000 0.892 105 L HN 0.129 nan 8.230 nan 0.000 0.431 106 A N -0.562 122.231 122.820 -0.046 0.000 1.972 106 A HA -0.072 4.248 4.320 0.001 0.000 0.219 106 A C 2.428 180.020 177.584 0.014 0.000 1.169 106 A CA 1.745 53.768 52.037 -0.023 0.000 0.635 106 A CB -1.107 17.888 19.000 -0.008 0.000 0.810 106 A HN 0.614 nan 8.150 nan 0.000 0.446 107 A N -0.431 122.430 122.820 0.068 0.000 1.858 107 A HA -0.042 4.279 4.320 0.001 0.000 0.216 107 A C 1.971 179.586 177.584 0.053 0.000 1.190 107 A CA 1.687 53.783 52.037 0.098 0.000 0.617 107 A CB -0.618 18.515 19.000 0.221 0.000 0.827 107 A HN 0.397 nan 8.150 nan 0.000 0.443 108 L N 0.373 121.638 121.223 0.071 0.000 2.127 108 L HA -0.187 4.153 4.340 0.001 0.000 0.211 108 L C 2.325 179.172 176.870 -0.038 0.000 1.089 108 L CA 1.985 56.825 54.840 -0.000 0.000 0.757 108 L CB -1.168 40.903 42.059 0.021 0.000 0.899 108 L HN 0.530 nan 8.230 nan 0.000 0.434 109 E N -0.559 119.617 120.200 -0.040 0.000 2.106 109 E HA -0.194 4.156 4.350 0.001 0.000 0.192 109 E C 1.413 177.988 176.600 -0.041 0.000 0.984 109 E CA 1.314 57.682 56.400 -0.053 0.000 0.806 109 E CB 0.040 29.703 29.700 -0.062 0.000 0.750 109 E HN 0.673 nan 8.360 nan 0.000 0.458 110 E N 0.345 120.529 120.200 -0.028 0.000 2.538 110 E HA 0.314 4.665 4.350 0.001 0.000 0.207 110 E C 0.328 176.912 176.600 -0.027 0.000 1.002 110 E CA -0.221 56.165 56.400 -0.025 0.000 0.952 110 E CB 0.601 30.292 29.700 -0.015 0.000 1.031 110 E HN 0.008 nan 8.360 nan 0.000 0.476 111 A N 1.166 123.965 122.820 -0.035 0.000 2.327 111 A HA 0.357 4.677 4.320 0.001 0.000 0.255 111 A C 0.030 177.583 177.584 -0.051 0.000 1.099 111 A CA -0.267 51.742 52.037 -0.047 0.000 0.801 111 A CB 0.971 19.929 19.000 -0.070 0.000 1.062 111 A HN 0.107 nan 8.150 nan 0.000 0.496 112 S N 0.081 115.748 115.700 -0.054 0.000 2.718 112 S HA 0.585 5.055 4.470 0.001 0.000 0.294 112 S C -0.757 173.805 174.600 -0.063 0.000 1.157 112 S CA -0.438 57.731 58.200 -0.052 0.000 1.121 112 S CB -0.349 62.826 63.200 -0.041 0.000 1.015 112 S HN 0.508 nan 8.310 nan 0.000 0.479 113 L N 2.557 123.738 121.223 -0.070 0.000 2.303 113 L HA 0.620 4.961 4.340 0.001 0.000 0.266 113 L C 0.270 177.096 176.870 -0.073 0.000 1.011 113 L CA -0.842 53.948 54.840 -0.083 0.000 0.818 113 L CB 1.552 43.551 42.059 -0.101 0.000 1.326 113 L HN 0.435 nan 8.230 nan 0.000 0.435 114 D N -0.141 120.211 120.400 -0.079 0.000 2.392 114 D HA 0.129 4.769 4.640 0.001 0.000 0.206 114 D C -0.203 176.059 176.300 -0.065 0.000 1.046 114 D CA 0.720 54.681 54.000 -0.065 0.000 0.865 114 D CB 0.860 41.621 40.800 -0.064 0.000 0.969 114 D HN 0.487 nan 8.370 nan 0.000 0.509 115 E N 0.201 120.350 120.200 -0.084 0.000 2.390 115 E HA 0.310 4.661 4.350 0.001 0.000 0.277 115 E C -2.574 173.972 176.600 -0.090 0.000 0.939 115 E CA -1.803 54.550 56.400 -0.078 0.000 0.769 115 E CB 3.205 32.853 29.700 -0.087 0.000 1.251 115 E HN -0.122 nan 8.360 nan 0.000 0.450 116 P HA 0.128 nan 4.420 nan 0.000 0.276 116 P C -0.628 176.619 177.300 -0.088 0.000 1.252 116 P CA -0.462 62.588 63.100 -0.083 0.000 0.802 116 P CB 0.876 32.531 31.700 -0.074 0.000 1.035 117 V N -2.676 117.183 119.914 -0.092 0.000 2.628 117 V HA 0.504 4.625 4.120 0.001 0.000 0.306 117 V C 0.017 176.048 176.094 -0.104 0.000 1.045 117 V CA -0.585 61.666 62.300 -0.080 0.000 0.905 117 V CB 1.168 32.950 31.823 -0.070 0.000 0.997 117 V HN 0.425 nan 8.190 nan 0.000 0.436 118 T N 3.920 118.376 114.554 -0.164 0.000 2.851 118 T HA 0.526 4.876 4.350 0.001 0.000 0.298 118 T C -0.149 174.460 174.700 -0.152 0.000 0.977 118 T CA 0.143 62.059 62.100 -0.307 0.000 1.126 118 T CB 0.892 69.282 68.868 -0.797 0.000 0.916 118 T HN 0.705 nan 8.240 nan 0.000 0.529 119 V N 3.720 123.541 119.914 -0.155 0.000 2.823 119 V HA 0.538 4.659 4.120 0.001 0.000 0.312 119 V C -1.240 174.804 176.094 -0.084 0.000 1.072 119 V CA -1.010 61.286 62.300 -0.008 0.000 0.937 119 V CB 2.228 34.059 31.823 0.014 0.000 1.013 119 V HN 0.915 nan 8.190 nan 0.000 0.430 120 W N 4.006 125.328 121.300 0.036 0.000 2.463 120 W HA 0.634 5.295 4.660 0.001 0.000 0.316 120 W C 0.247 176.828 176.519 0.103 0.000 1.004 120 W CA -0.354 57.023 57.345 0.054 0.000 1.309 120 W CB 1.632 31.107 29.460 0.024 0.000 1.288 120 W HN 0.487 nan 8.180 nan 0.000 0.423 124 D N 2.148 122.474 120.400 -0.124 0.000 2.352 124 D HA 0.397 5.038 4.640 0.001 0.000 0.245 124 D C 0.807 177.041 176.300 -0.111 0.000 1.224 124 D CA 0.655 54.589 54.000 -0.110 0.000 0.879 124 D CB 1.157 41.908 40.800 -0.082 0.000 1.057 124 D HN 0.657 nan 8.370 nan 0.000 0.491 125 T N 0.369 114.862 114.554 -0.102 0.000 3.092 125 T HA 0.444 4.795 4.350 0.001 0.000 0.258 125 T C 1.199 175.821 174.700 -0.131 0.000 1.031 125 T CA 0.142 62.206 62.100 -0.061 0.000 0.925 125 T CB 0.597 69.490 68.868 0.041 0.000 1.036 125 T HN 0.452 nan 8.240 nan 0.000 0.544 126 G N 1.100 109.709 108.800 -0.320 0.000 3.465 126 G HA2 -0.107 3.854 3.960 0.001 0.000 0.219 126 G HA3 -0.107 3.854 3.960 0.001 0.000 0.219 126 G C 0.709 175.268 174.900 -0.568 0.000 0.984 126 G CA 0.215 45.045 45.100 -0.449 0.000 0.864 126 G HN 0.322 nan 8.290 nan 0.000 0.485 127 M N 0.853 120.238 119.600 -0.359 0.000 2.296 127 M HA 0.177 4.658 4.480 0.001 0.000 0.265 127 M C 1.137 177.340 176.300 -0.161 0.000 1.064 127 M CA 1.766 56.942 55.300 -0.206 0.000 1.109 127 M CB -0.435 32.102 32.600 -0.106 0.000 1.396 127 M HN 0.334 nan 8.290 nan 0.000 0.430 128 H N -0.319 118.728 119.070 -0.039 0.000 2.713 128 H HA -0.205 4.352 4.556 0.001 0.000 0.311 128 H C 0.931 176.224 175.328 -0.059 0.000 1.175 128 H CA 1.244 57.262 56.048 -0.049 0.000 1.143 128 H CB -1.552 28.186 29.762 -0.041 0.000 1.434 128 H HN 0.590 nan 8.280 nan 0.000 0.418 129 R N -0.335 120.160 120.500 -0.008 0.000 2.055 129 R HA 0.354 4.694 4.340 0.001 0.000 0.190 129 R C 0.294 176.531 176.300 -0.104 0.000 1.443 129 R CA 0.121 56.195 56.100 -0.043 0.000 1.188 129 R CB 0.830 31.104 30.300 -0.043 0.000 1.068 129 R HN 0.145 nan 8.270 nan 0.000 0.475 130 L N -0.027 121.111 121.223 -0.143 0.000 2.323 130 L HA 0.598 4.938 4.340 0.001 0.000 0.265 130 L C -0.494 176.271 176.870 -0.174 0.000 1.012 130 L CA -0.416 54.264 54.840 -0.266 0.000 0.820 130 L CB 2.275 44.106 42.059 -0.379 0.000 1.334 130 L HN 0.721 nan 8.230 nan 0.000 0.427 131 G N 0.479 109.180 108.800 -0.165 0.000 2.484 131 G HA2 0.010 3.970 3.960 0.001 0.000 0.685 131 G HA3 0.010 3.970 3.960 0.001 0.000 0.685 131 G C -1.425 173.385 174.900 -0.150 0.000 1.294 131 G CA -1.056 43.983 45.100 -0.102 0.000 0.879 131 G HN 0.373 nan 8.290 nan 0.000 0.646 132 V N 1.966 121.725 119.914 -0.259 0.000 2.530 132 V HA 0.401 4.521 4.120 0.001 0.000 0.282 132 V C 1.338 177.295 176.094 -0.229 0.000 1.048 132 V CA -0.314 61.783 62.300 -0.339 0.000 0.997 132 V CB 1.103 32.538 31.823 -0.646 0.000 0.987 132 V HN 0.751 nan 8.190 nan 0.000 0.477 133 R N 4.922 125.336 120.500 -0.142 0.000 2.594 133 R HA 0.157 4.497 4.340 0.001 0.000 0.272 133 R C -1.528 174.702 176.300 -0.116 0.000 1.074 133 R CA -1.280 54.769 56.100 -0.085 0.000 1.105 133 R CB 0.147 30.432 30.300 -0.025 0.000 1.008 133 R HN 0.449 nan 8.270 nan 0.000 0.472 134 P HA -0.241 nan 4.420 nan 0.000 0.218 134 P C 0.329 177.601 177.300 -0.047 0.000 1.154 134 P CA 1.513 64.553 63.100 -0.101 0.000 0.872 134 P CB 0.202 31.880 31.700 -0.037 0.000 0.790 135 E N -1.782 118.409 120.200 -0.016 0.000 2.502 135 E HA -0.082 4.268 4.350 0.001 0.000 0.194 135 E C 1.203 177.818 176.600 0.026 0.000 1.062 135 E CA 0.322 56.730 56.400 0.013 0.000 0.867 135 E CB -0.042 29.667 29.700 0.015 0.000 0.888 135 E HN 0.221 nan 8.360 nan 0.000 0.510 136 Q N -1.719 118.088 119.800 0.012 0.000 2.189 136 Q HA 0.266 4.607 4.340 0.001 0.000 0.223 136 Q C 1.271 177.321 176.000 0.083 0.000 0.828 136 Q CA 0.269 56.104 55.803 0.053 0.000 0.967 136 Q CB 0.961 29.723 28.738 0.041 0.000 1.139 136 Q HN 0.179 nan 8.270 nan 0.000 0.497 137 A N 0.255 123.078 122.820 0.006 0.000 1.970 137 A HA -0.115 4.206 4.320 0.001 0.000 0.216 137 A C 1.875 179.643 177.584 0.307 0.000 1.170 137 A CA 1.337 53.362 52.037 -0.020 0.000 0.645 137 A CB -0.038 18.680 19.000 -0.470 0.000 0.816 137 A HN 0.182 nan 8.150 nan 0.000 0.447 138 E N 0.192 120.581 120.200 0.315 0.000 2.107 138 E HA 0.034 4.384 4.350 0.001 0.000 0.191 138 E C 2.078 178.899 176.600 0.368 0.000 0.982 138 E CA 1.309 57.937 56.400 0.380 0.000 0.809 138 E CB -0.370 29.465 29.700 0.226 0.000 0.756 138 E HN 0.473 nan 8.360 nan 0.000 0.459 139 A N -0.385 122.606 122.820 0.284 0.000 1.897 139 A HA -0.090 4.230 4.320 0.001 0.000 0.215 139 A C 2.137 179.899 177.584 0.297 0.000 1.181 139 A CA 1.057 53.243 52.037 0.248 0.000 0.620 139 A CB -0.808 18.294 19.000 0.170 0.000 0.821 139 A HN 0.378 nan 8.150 nan 0.000 0.443 140 F N -0.849 119.203 119.950 0.169 0.000 2.102 140 F HA -0.175 4.352 4.527 0.001 0.000 0.298 140 F C 2.151 178.053 175.800 0.169 0.000 1.105 140 F CA 1.910 59.992 58.000 0.136 0.000 1.239 140 F CB -0.548 38.515 39.000 0.105 0.000 0.991 140 F HN 0.395 nan 8.300 nan 0.000 0.474 141 Y N -0.142 120.433 120.300 0.458 0.000 2.128 141 Y HA -0.315 4.235 4.550 0.001 0.000 0.284 141 Y C 2.750 178.750 175.900 0.166 0.000 1.154 141 Y CA 2.414 60.727 58.100 0.355 0.000 1.149 141 Y CB -1.066 37.666 38.460 0.453 0.000 0.976 141 Y HN 0.267 nan 8.280 nan 0.000 0.505 142 H N 0.181 119.397 119.070 0.242 0.000 2.387 142 H HA -0.099 4.457 4.556 0.001 0.000 0.299 142 H C 2.215 177.502 175.328 -0.069 0.000 1.099 142 H CA 1.991 58.084 56.048 0.076 0.000 1.315 142 H CB -0.056 29.782 29.762 0.127 0.000 1.380 142 H HN 0.266 nan 8.280 nan 0.000 0.513 143 R N -0.309 120.135 120.500 -0.093 0.000 2.115 143 R HA -0.072 4.268 4.340 0.001 0.000 0.230 143 R C 2.297 178.432 176.300 -0.276 0.000 1.111 143 R CA 1.247 57.236 56.100 -0.185 0.000 0.976 143 R CB -0.144 30.048 30.300 -0.181 0.000 0.870 143 R HN 0.379 nan 8.270 nan 0.000 0.445 144 L N 0.298 121.335 121.223 -0.311 0.000 2.156 144 L HA -0.103 4.237 4.340 0.001 0.000 0.208 144 L C 2.269 178.937 176.870 -0.337 0.000 1.095 144 L CA 1.417 56.077 54.840 -0.299 0.000 0.770 144 L CB -0.511 41.390 42.059 -0.264 0.000 0.914 144 L HN 0.300 nan 8.230 nan 0.000 0.439 145 T N -4.125 110.158 114.554 -0.452 0.000 3.118 145 T HA -0.067 4.283 4.350 0.001 0.000 0.260 145 T C 1.560 176.073 174.700 -0.310 0.000 1.139 145 T CA 0.413 62.279 62.100 -0.390 0.000 1.085 145 T CB 0.013 68.636 68.868 -0.409 0.000 0.934 145 T HN 0.192 nan 8.240 nan 0.000 0.518 146 Q N -0.131 119.476 119.800 -0.321 0.000 2.282 146 Q HA 0.287 4.628 4.340 0.001 0.000 0.206 146 Q C 0.303 176.207 176.000 -0.160 0.000 0.878 146 Q CA -0.160 55.505 55.803 -0.230 0.000 0.944 146 Q CB -0.147 28.454 28.738 -0.229 0.000 1.100 146 Q HN 0.515 nan 8.270 nan 0.000 0.509 147 C N 1.866 121.066 119.300 -0.167 0.000 2.482 147 C HA 0.183 4.643 4.460 0.001 0.000 0.378 147 C C 1.717 176.641 174.990 -0.110 0.000 1.284 147 C CA -0.327 58.614 59.018 -0.128 0.000 1.826 147 C CB 0.144 27.806 27.740 -0.130 0.000 2.473 147 C HN 0.343 nan 8.230 nan 0.000 0.562 148 K N 1.851 122.198 120.400 -0.088 0.000 2.432 148 K HA -0.003 4.318 4.320 0.001 0.000 0.196 148 K C 1.410 177.964 176.600 -0.077 0.000 1.038 148 K CA 0.824 57.065 56.287 -0.077 0.000 0.986 148 K CB 0.030 32.492 32.500 -0.063 0.000 0.782 148 K HN 0.533 nan 8.250 nan 0.000 0.485 149 N N -0.280 118.371 118.700 -0.082 0.000 2.299 149 N HA 0.017 4.757 4.740 0.001 0.000 0.187 149 N C -0.767 174.689 175.510 -0.090 0.000 1.099 149 N CA 0.250 53.250 53.050 -0.083 0.000 0.867 149 N CB 0.779 39.217 38.487 -0.081 0.000 0.974 149 N HN -0.148 nan 8.380 nan 0.000 0.477 150 V N 1.644 121.500 119.914 -0.097 0.000 2.394 150 V HA 0.270 4.390 4.120 0.001 0.000 0.282 150 V C 0.754 176.779 176.094 -0.114 0.000 1.031 150 V CA -0.863 61.373 62.300 -0.106 0.000 0.881 150 V CB 1.767 33.519 31.823 -0.118 0.000 0.982 150 V HN 0.006 nan 8.190 nan 0.000 0.451 151 R N 3.610 124.040 120.500 -0.117 0.000 2.522 151 R HA 0.124 4.464 4.340 0.001 0.000 0.284 151 R C -0.089 176.128 176.300 -0.138 0.000 1.032 151 R CA -0.220 55.810 56.100 -0.118 0.000 1.049 151 R CB 0.395 30.621 30.300 -0.124 0.000 0.956 151 R HN 0.638 nan 8.270 nan 0.000 0.422 152 Q N 4.080 123.808 119.800 -0.121 0.000 2.260 152 Q HA 0.334 4.675 4.340 0.001 0.000 0.242 152 Q C -1.782 174.150 176.000 -0.114 0.000 0.932 152 Q CA -1.620 54.107 55.803 -0.126 0.000 0.891 152 Q CB 0.885 29.559 28.738 -0.107 0.000 1.222 152 Q HN 0.575 nan 8.270 nan 0.000 0.453 153 P HA 0.261 nan 4.420 nan 0.000 0.278 153 P C -0.628 176.564 177.300 -0.179 0.000 1.266 153 P CA -0.544 62.481 63.100 -0.125 0.000 0.807 153 P CB 0.803 32.452 31.700 -0.084 0.000 1.094 154 V N 2.696 122.507 119.914 -0.171 0.000 2.508 154 V HA 0.097 4.218 4.120 0.001 0.000 0.281 154 V C 0.825 176.837 176.094 -0.136 0.000 1.041 154 V CA -0.353 61.837 62.300 -0.185 0.000 1.016 154 V CB -0.119 31.534 31.823 -0.283 0.000 0.984 154 V HN 0.525 nan 8.190 nan 0.000 0.478 155 N N 4.559 123.064 118.700 -0.324 0.000 2.495 155 N HA 0.576 5.316 4.740 0.001 0.000 0.280 155 N C -0.636 174.834 175.510 -0.067 0.000 1.168 155 N CA -0.387 52.369 53.050 -0.490 0.000 0.978 155 N CB 2.123 39.670 38.487 -1.567 0.000 1.191 155 N HN 0.473 nan 8.380 nan 0.000 0.497 156 I N 0.748 121.395 120.570 0.130 0.000 2.418 156 I HA 0.318 4.488 4.170 0.001 0.000 0.287 156 I C -0.302 176.202 176.117 0.644 0.000 1.008 156 I CA -0.829 60.692 61.300 0.367 0.000 1.104 156 I CB 2.004 40.116 38.000 0.187 0.000 1.264 156 I HN 0.021 nan 8.210 nan 0.000 0.438 157 V N 5.103 125.364 119.914 0.579 0.000 2.864 157 V HA 0.809 4.929 4.120 0.001 0.000 0.314 157 V C -0.617 175.638 176.094 0.267 0.000 1.073 157 V CA 0.025 62.569 62.300 0.408 0.000 0.956 157 V CB 2.364 34.300 31.823 0.188 0.000 1.023 157 V HN 0.836 nan 8.190 nan 0.000 0.435 158 S N 2.591 118.327 115.700 0.061 0.000 2.643 158 S HA 0.677 5.147 4.470 0.001 0.000 0.270 158 S C -2.043 172.454 174.600 -0.173 0.000 1.166 158 S CA -0.460 57.710 58.200 -0.049 0.000 0.815 158 S CB 1.641 64.818 63.200 -0.038 0.000 1.139 158 S HN 1.093 nan 8.310 nan 0.000 0.472 159 H N 0.201 119.084 119.070 -0.312 0.000 2.894 159 H HA 0.577 5.134 4.556 0.001 0.000 0.367 159 H C -1.499 173.660 175.328 -0.282 0.000 1.144 159 H CA -0.579 55.271 56.048 -0.330 0.000 1.180 159 H CB 0.814 30.475 29.762 -0.168 0.000 1.758 159 H HN 0.502 nan 8.280 nan 0.000 0.541 160 F N 2.319 121.987 119.950 -0.469 0.000 2.399 160 F HA 0.370 4.898 4.527 0.001 0.000 0.342 160 F C 1.278 176.812 175.800 -0.444 0.000 1.106 160 F CA 0.103 57.849 58.000 -0.424 0.000 1.196 160 F CB 1.392 40.151 39.000 -0.401 0.000 1.163 160 F HN 0.731 nan 8.300 nan 0.000 0.547 161 A N 3.068 125.846 122.820 -0.070 0.000 2.115 161 A HA 0.212 4.533 4.320 0.001 0.000 0.211 161 A C 1.036 178.562 177.584 -0.097 0.000 1.169 161 A CA 0.201 52.175 52.037 -0.105 0.000 0.787 161 A CB 0.137 19.087 19.000 -0.084 0.000 0.858 161 A HN 0.806 nan 8.150 nan 0.000 0.474 162 R N -1.134 119.297 120.500 -0.114 0.000 2.648 162 R HA 0.340 4.681 4.340 0.001 0.000 0.341 162 R C 0.754 176.969 176.300 -0.141 0.000 1.154 162 R CA 0.468 56.506 56.100 -0.102 0.000 1.228 162 R CB 0.462 30.713 30.300 -0.082 0.000 1.311 162 R HN 0.262 nan 8.270 nan 0.000 0.659 163 A N 1.238 123.953 122.820 -0.174 0.000 2.066 163 A HA -0.146 4.174 4.320 0.001 0.000 0.218 163 A C 1.457 179.139 177.584 0.163 0.000 1.157 163 A CA 1.339 53.258 52.037 -0.197 0.000 0.670 163 A CB -0.084 18.777 19.000 -0.231 0.000 0.804 163 A HN 0.435 nan 8.150 nan 0.000 0.453 164 D N -0.086 120.370 120.400 0.095 0.000 2.336 164 D HA -0.018 4.622 4.640 0.001 0.000 0.229 164 D C -0.062 176.300 176.300 0.104 0.000 1.061 164 D CA 0.266 54.337 54.000 0.118 0.000 0.875 164 D CB -0.256 40.599 40.800 0.092 0.000 0.904 164 D HN 0.540 nan 8.370 nan 0.000 0.525 165 E N 1.284 121.549 120.200 0.109 0.000 3.303 165 E HA 0.132 4.483 4.350 0.001 0.000 0.215 165 E C -1.830 174.860 176.600 0.151 0.000 1.181 165 E CA -1.578 54.875 56.400 0.089 0.000 0.998 165 E CB 1.510 31.235 29.700 0.042 0.000 1.312 165 E HN 0.058 nan 8.360 nan 0.000 0.412 166 P HA -0.216 nan 4.420 nan 0.000 0.220 166 P C 0.735 178.121 177.300 0.145 0.000 1.144 166 P CA 1.116 64.348 63.100 0.219 0.000 0.800 166 P CB 0.320 31.992 31.700 -0.047 0.000 0.772 167 K N -0.515 119.934 120.400 0.081 0.000 2.296 167 K HA 0.013 4.333 4.320 0.001 0.000 0.200 167 K C 1.291 177.925 176.600 0.058 0.000 1.048 167 K CA 0.497 56.816 56.287 0.053 0.000 0.966 167 K CB -0.334 32.183 32.500 0.029 0.000 0.754 167 K HN 0.348 nan 8.250 nan 0.000 0.466 168 C N -0.770 118.567 119.300 0.061 0.000 2.405 168 C HA 0.572 5.032 4.460 0.001 0.000 0.365 168 C C 1.495 176.509 174.990 0.039 0.000 1.233 168 C CA -1.114 57.926 59.018 0.036 0.000 2.230 168 C CB 0.652 28.401 27.740 0.015 0.000 2.443 168 C HN 0.397 nan 8.230 nan 0.000 0.556 169 G N 0.987 109.799 108.800 0.021 0.000 3.332 169 G HA2 0.382 4.342 3.960 0.001 0.000 0.242 169 G HA3 0.382 4.342 3.960 0.001 0.000 0.242 169 G C 1.129 176.000 174.900 -0.049 0.000 1.276 169 G CA 0.581 45.686 45.100 0.009 0.000 0.988 169 G HN 1.291 nan 8.290 nan 0.000 0.517 170 A N 0.493 123.264 122.820 -0.082 0.000 1.858 170 A HA -0.052 4.268 4.320 0.001 0.000 0.216 170 A C 2.512 179.958 177.584 -0.229 0.000 1.190 170 A CA 2.279 54.242 52.037 -0.123 0.000 0.617 170 A CB -0.789 18.141 19.000 -0.117 0.000 0.827 170 A HN 0.284 nan 8.150 nan 0.000 0.443 171 T N -0.024 114.253 114.554 -0.462 0.000 2.788 171 T HA -0.124 4.226 4.350 0.001 0.000 0.268 171 T C 1.727 176.086 174.700 -0.568 0.000 1.044 171 T CA 1.853 63.424 62.100 -0.882 0.000 1.139 171 T CB -0.256 67.459 68.868 -1.922 0.000 0.867 171 T HN 0.620 nan 8.240 nan 0.000 0.454 172 E N 0.683 120.680 120.200 -0.338 0.000 2.208 172 E HA 0.003 4.353 4.350 0.001 0.000 0.193 172 E C 2.234 178.819 176.600 -0.026 0.000 0.988 172 E CA 0.737 57.074 56.400 -0.105 0.000 0.828 172 E CB 0.013 29.724 29.700 0.017 0.000 0.763 172 E HN 0.423 nan 8.360 nan 0.000 0.478 173 K N 0.282 120.658 120.400 -0.041 0.000 2.076 173 K HA -0.063 4.257 4.320 0.001 0.000 0.204 173 K C 2.154 178.777 176.600 0.039 0.000 1.051 173 K CA 0.936 57.227 56.287 0.007 0.000 0.949 173 K CB 0.023 32.521 32.500 -0.004 0.000 0.726 173 K HN 0.123 nan 8.250 nan 0.000 0.443 174 Q N 0.444 120.264 119.800 0.033 0.000 2.079 174 Q HA -0.123 4.217 4.340 0.001 0.000 0.200 174 Q C 2.027 178.148 176.000 0.202 0.000 0.974 174 Q CA 0.846 56.714 55.803 0.108 0.000 0.840 174 Q CB -0.051 28.791 28.738 0.174 0.000 0.898 174 Q HN 0.127 nan 8.270 nan 0.000 0.430 175 L N 0.681 122.034 121.223 0.217 0.000 2.046 175 L HA -0.119 4.222 4.340 0.001 0.000 0.208 175 L C 2.262 179.300 176.870 0.279 0.000 1.077 175 L CA 1.863 56.884 54.840 0.301 0.000 0.747 175 L CB -1.247 40.948 42.059 0.227 0.000 0.896 175 L HN 0.140 nan 8.230 nan 0.000 0.432 176 A N -0.546 122.380 122.820 0.177 0.000 1.902 176 A HA -0.191 4.129 4.320 0.001 0.000 0.217 176 A C 2.294 179.967 177.584 0.148 0.000 1.181 176 A CA 1.907 54.032 52.037 0.146 0.000 0.623 176 A CB -0.645 18.412 19.000 0.096 0.000 0.818 176 A HN 0.418 nan 8.150 nan 0.000 0.443 177 I N -2.182 118.476 120.570 0.146 0.000 2.252 177 I HA -0.184 3.987 4.170 0.001 0.000 0.245 177 I C 2.338 178.562 176.117 0.178 0.000 1.102 177 I CA 1.287 62.665 61.300 0.129 0.000 1.385 177 I CB -0.339 37.717 38.000 0.093 0.000 1.064 177 I HN 0.405 nan 8.210 nan 0.000 0.414 178 F N 2.317 122.309 119.950 0.070 0.000 2.102 178 F HA -0.235 4.292 4.527 0.001 0.000 0.298 178 F C 2.415 178.255 175.800 0.067 0.000 1.105 178 F CA 1.733 59.772 58.000 0.065 0.000 1.239 178 F CB -0.417 38.611 39.000 0.046 0.000 0.991 178 F HN 0.074 nan 8.300 nan 0.000 0.474 179 N N -0.297 118.527 118.700 0.208 0.000 2.120 179 N HA -0.150 4.590 4.740 0.001 0.000 0.188 179 N C 1.798 177.307 175.510 -0.002 0.000 1.024 179 N CA 2.003 55.106 53.050 0.089 0.000 0.852 179 N CB -0.833 37.775 38.487 0.202 0.000 1.003 179 N HN 0.309 nan 8.380 nan 0.000 0.424 180 T N 0.763 115.344 114.554 0.044 0.000 2.746 180 T HA -0.111 4.239 4.350 0.001 0.000 0.267 180 T C 1.659 176.355 174.700 -0.008 0.000 1.039 180 T CA 0.748 62.863 62.100 0.025 0.000 1.142 180 T CB -0.390 68.512 68.868 0.058 0.000 0.866 180 T HN 0.268 nan 8.240 nan 0.000 0.444 181 F N 0.873 120.724 119.950 -0.166 0.000 2.259 181 F HA -0.056 4.471 4.527 0.001 0.000 0.298 181 F C 2.037 177.640 175.800 -0.327 0.000 1.088 181 F CA 0.589 58.452 58.000 -0.229 0.000 1.358 181 F CB -0.190 38.674 39.000 -0.226 0.000 1.040 181 F HN 0.132 nan 8.300 nan 0.000 0.505 182 C N 0.983 120.001 119.300 -0.471 0.000 2.481 182 C HA 0.016 4.476 4.460 0.001 0.000 0.275 182 C C 0.776 175.521 174.990 -0.408 0.000 1.419 182 C CA -0.288 58.385 59.018 -0.575 0.000 1.773 182 C CB -1.669 25.723 27.740 -0.580 0.000 1.862 182 C HN 0.307 nan 8.230 nan 0.000 0.530 183 E N 0.656 120.683 120.200 -0.289 0.000 2.558 183 E HA 0.280 4.630 4.350 0.001 0.000 0.255 183 E C 1.299 177.769 176.600 -0.218 0.000 0.968 183 E CA 0.870 57.157 56.400 -0.188 0.000 0.939 183 E CB -0.003 29.624 29.700 -0.122 0.000 0.921 183 E HN 0.570 nan 8.360 nan 0.000 0.477 184 G N 3.248 111.954 108.800 -0.156 0.000 2.184 184 G HA2 -0.345 3.616 3.960 0.001 0.000 0.264 184 G HA3 -0.345 3.616 3.960 0.001 0.000 0.264 184 G C 0.030 174.833 174.900 -0.163 0.000 0.975 184 G CA 0.363 45.381 45.100 -0.136 0.000 0.642 184 G HN 0.437 nan 8.290 nan 0.000 0.536 185 K N 1.222 121.481 120.400 -0.234 0.000 2.138 185 K HA 0.537 4.858 4.320 0.001 0.000 0.263 185 K C -1.650 174.874 176.600 -0.126 0.000 0.965 185 K CA -1.485 54.667 56.287 -0.226 0.000 0.868 185 K CB 2.064 34.290 32.500 -0.456 0.000 1.083 185 K HN 0.163 nan 8.250 nan 0.000 0.443 186 P HA 0.288 nan 4.420 nan 0.000 0.312 186 P C -0.244 177.031 177.300 -0.041 0.000 1.308 186 P CA -0.243 62.836 63.100 -0.035 0.000 0.743 186 P CB 0.316 32.005 31.700 -0.019 0.000 1.364 187 G N -0.640 108.133 108.800 -0.046 0.000 2.767 187 G HA2 -0.095 3.866 3.960 0.001 0.000 0.686 187 G HA3 -0.095 3.866 3.960 0.001 0.000 0.686 187 G C -0.518 174.337 174.900 -0.075 0.000 1.213 187 G CA -0.771 44.271 45.100 -0.096 0.000 0.803 187 G HN 0.609 nan 8.290 nan 0.000 0.603 188 Q N 0.758 120.482 119.800 -0.126 0.000 2.432 188 Q HA 0.335 4.675 4.340 0.001 0.000 0.264 188 Q C 0.945 177.027 176.000 0.138 0.000 1.035 188 Q CA 0.498 56.334 55.803 0.055 0.000 0.908 188 Q CB 0.699 29.482 28.738 0.074 0.000 1.280 188 Q HN 0.641 nan 8.270 nan 0.000 0.455 189 R N 0.258 120.986 120.500 0.381 0.000 2.670 189 R HA 0.609 4.949 4.340 0.001 0.000 0.289 189 R C -0.720 175.968 176.300 0.647 0.000 0.965 189 R CA -0.501 55.874 56.100 0.459 0.000 0.899 189 R CB 1.998 32.371 30.300 0.121 0.000 1.173 189 R HN 0.528 nan 8.270 nan 0.000 0.456 190 S N 2.358 118.431 115.700 0.623 0.000 2.603 190 S HA 0.426 4.897 4.470 0.001 0.000 0.274 190 S C -0.605 173.982 174.600 -0.021 0.000 1.168 190 S CA -0.583 57.812 58.200 0.325 0.000 0.963 190 S CB 1.091 64.363 63.200 0.121 0.000 1.078 190 S HN 0.778 nan 8.310 nan 0.000 0.477 191 I N 3.336 123.797 120.570 -0.183 0.000 4.983 191 I HA 0.499 4.670 4.170 0.001 0.000 0.346 191 I C 0.339 176.154 176.117 -0.504 0.000 1.261 191 I CA -0.025 60.937 61.300 -0.564 0.000 1.406 191 I CB 0.398 37.703 38.000 -1.158 0.000 1.529 191 I HN 0.686 nan 8.210 nan 0.000 0.524 192 A N 1.639 124.370 122.820 -0.148 0.000 2.301 192 A HA 0.809 5.129 4.320 0.001 0.000 0.298 192 A C 0.134 177.766 177.584 0.080 0.000 1.185 192 A CA 0.315 52.371 52.037 0.032 0.000 0.830 192 A CB 0.612 19.741 19.000 0.215 0.000 1.112 192 A HN 0.380 nan 8.150 nan 0.000 0.508 193 A N 1.555 124.463 122.820 0.147 0.000 3.521 193 A HA 0.680 5.001 4.320 0.001 0.000 0.181 193 A C 1.563 179.221 177.584 0.123 0.000 1.386 193 A CA 0.488 52.621 52.037 0.159 0.000 0.873 193 A CB -0.466 18.723 19.000 0.314 0.000 1.634 193 A HN 0.814 nan 8.150 nan 0.000 0.551 194 S N -0.347 115.419 115.700 0.110 0.000 2.359 194 S HA -0.153 4.318 4.470 0.001 0.000 0.223 194 S C 1.984 176.606 174.600 0.037 0.000 1.039 194 S CA 2.081 60.302 58.200 0.035 0.000 1.042 194 S CB -0.793 62.425 63.200 0.031 0.000 0.915 194 S HN 1.009 nan 8.310 nan 0.000 0.439 195 G N 0.978 109.846 108.800 0.113 0.000 2.433 195 G HA2 -0.072 3.888 3.960 0.001 0.000 0.216 195 G HA3 -0.072 3.888 3.960 0.001 0.000 0.216 195 G C 1.486 176.546 174.900 0.268 0.000 1.186 195 G CA 0.976 46.163 45.100 0.144 0.000 0.779 195 G HN 0.582 nan 8.290 nan 0.000 0.543 196 G N 0.866 109.869 108.800 0.338 0.000 2.442 196 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 196 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 196 G C 1.772 176.924 174.900 0.420 0.000 1.141 196 G CA 0.837 46.223 45.100 0.476 0.000 0.763 196 G HN 0.459 nan 8.290 nan 0.000 0.554 197 I N 0.097 120.818 120.570 0.251 0.000 2.202 197 I HA -0.115 4.056 4.170 0.001 0.000 0.242 197 I C 2.644 178.880 176.117 0.198 0.000 1.091 197 I CA 0.847 62.243 61.300 0.160 0.000 1.368 197 I CB -0.168 37.803 38.000 -0.049 0.000 1.058 197 I HN 0.138 nan 8.210 nan 0.000 0.410 198 L N -0.223 121.025 121.223 0.041 0.000 2.131 198 L HA -0.080 4.261 4.340 0.001 0.000 0.206 198 L C 2.137 179.003 176.870 -0.007 0.000 1.087 198 L CA 0.972 55.777 54.840 -0.059 0.000 0.767 198 L CB -0.233 41.578 42.059 -0.414 0.000 0.917 198 L HN 0.229 nan 8.230 nan 0.000 0.441 199 L N -2.584 118.632 121.223 -0.011 0.000 2.556 199 L HA 0.079 4.420 4.340 0.001 0.000 0.226 199 L C -0.255 176.261 176.870 -0.590 0.000 1.089 199 L CA -0.029 54.642 54.840 -0.283 0.000 0.864 199 L CB 0.186 42.032 42.059 -0.355 0.000 1.067 199 L HN 0.235 nan 8.230 nan 0.000 0.477 200 W N 0.688 121.963 121.300 -0.042 0.000 2.483 200 W HA 0.374 5.034 4.660 -0.000 0.000 0.291 200 W C -1.962 174.430 176.519 -0.211 0.000 0.997 200 W CA -1.669 55.614 57.345 -0.103 0.000 1.591 200 W CB 0.275 29.666 29.460 -0.115 0.000 1.434 200 W HN -0.246 nan 8.180 nan 0.000 0.420 201 P HA -0.219 nan 4.420 nan 0.000 0.221 201 P C 1.084 178.049 177.300 -0.559 0.000 1.150 201 P CA 1.589 64.266 63.100 -0.704 0.000 0.800 201 P CB 0.392 31.851 31.700 -0.403 0.000 0.787 202 Q N 0.689 120.345 119.800 -0.240 0.000 2.443 202 Q HA -0.094 4.246 4.340 0.001 0.000 0.213 202 Q C 1.758 177.521 176.000 -0.396 0.000 0.982 202 Q CA 1.676 57.353 55.803 -0.210 0.000 0.894 202 Q CB -1.470 27.250 28.738 -0.030 0.000 0.947 202 Q HN 0.390 nan 8.270 nan 0.000 0.480 203 S N -1.989 113.545 115.700 -0.276 0.000 2.554 203 S HA 0.147 4.618 4.470 0.001 0.000 0.226 203 S C 1.034 175.515 174.600 -0.198 0.000 0.980 203 S CA -0.485 57.554 58.200 -0.270 0.000 0.939 203 S CB -0.269 63.126 63.200 0.325 0.000 0.832 203 S HN 0.472 nan 8.310 nan 0.000 0.486 204 H N 0.798 119.686 119.070 -0.302 0.000 2.326 204 H HA 0.063 4.620 4.556 0.001 0.000 0.301 204 H C 0.493 175.853 175.328 0.053 0.000 1.081 204 H CA 0.962 56.959 56.048 -0.084 0.000 1.334 204 H CB -0.196 29.529 29.762 -0.061 0.000 1.385 204 H HN 0.368 nan 8.280 nan 0.000 0.504 205 F N 0.081 120.195 119.950 0.273 0.000 1.897 205 F HA -0.458 4.070 4.527 0.001 0.000 0.219 205 F C 1.750 177.681 175.800 0.217 0.000 0.336 205 F CA 1.128 59.276 58.000 0.246 0.000 0.735 205 F CB -0.728 38.456 39.000 0.307 0.000 2.719 205 F HN 0.214 nan 8.300 nan 0.000 0.502 206 D N -1.789 118.935 120.400 0.540 0.000 2.162 206 D HA -0.019 4.622 4.640 0.001 0.000 0.205 206 D C -0.131 176.299 176.300 0.218 0.000 0.964 206 D CA 1.598 55.822 54.000 0.375 0.000 0.847 206 D CB 0.019 41.141 40.800 0.536 0.000 0.988 206 D HN 0.208 nan 8.370 nan 0.000 0.480 207 W N 0.849 122.311 121.300 0.270 0.000 2.883 207 W HA 0.394 5.054 4.660 0.001 0.000 0.335 207 W C -0.506 176.059 176.519 0.075 0.000 1.083 207 W CA -0.945 56.492 57.345 0.152 0.000 1.233 207 W CB 1.322 30.878 29.460 0.160 0.000 1.412 207 W HN -0.347 nan 8.180 nan 0.000 0.490 208 V N 0.469 120.499 119.914 0.194 0.000 2.815 208 V HA 0.720 4.840 4.120 0.001 0.000 0.314 208 V C -0.291 175.836 176.094 0.056 0.000 1.064 208 V CA -1.666 60.680 62.300 0.076 0.000 0.952 208 V CB 2.017 33.803 31.823 -0.062 0.000 1.020 208 V HN 0.602 nan 8.190 nan 0.000 0.439 209 R N 2.887 123.399 120.500 0.019 0.000 2.587 209 R HA 0.396 4.736 4.340 0.001 0.000 0.283 209 R C -2.801 173.494 176.300 -0.008 0.000 1.472 209 R CA -1.547 54.550 56.100 -0.005 0.000 1.578 209 R CB 1.172 31.448 30.300 -0.040 0.000 1.130 209 R HN 0.613 nan 8.270 nan 0.000 0.602 210 P HA 0.063 nan 4.420 nan 0.000 0.276 210 P C -0.218 177.012 177.300 -0.117 0.000 1.243 210 P CA 0.240 63.287 63.100 -0.087 0.000 0.768 210 P CB 1.945 33.560 31.700 -0.142 0.000 0.856 211 G N 2.754 111.491 108.800 -0.104 0.000 2.560 211 G HA2 0.046 4.007 3.960 0.001 0.000 0.212 211 G HA3 0.046 4.007 3.960 0.001 0.000 0.212 211 G C 1.161 175.840 174.900 -0.368 0.000 2.038 211 G CA -0.238 44.732 45.100 -0.215 0.000 0.728 211 G HN 0.440 nan 8.290 nan 0.000 0.784 212 I N 0.771 121.201 120.570 -0.234 0.000 2.185 212 I HA -0.155 4.015 4.170 0.001 0.000 0.246 212 I C 2.444 178.492 176.117 -0.115 0.000 1.088 212 I CA 1.243 62.439 61.300 -0.175 0.000 1.347 212 I CB 0.079 37.849 38.000 -0.383 0.000 1.041 212 I HN 0.266 nan 8.210 nan 0.000 0.415 213 I N 0.387 120.868 120.570 -0.148 0.000 2.756 213 I HA -0.246 3.924 4.170 0.001 0.000 0.262 213 I C 2.162 178.166 176.117 -0.188 0.000 1.225 213 I CA 0.850 62.069 61.300 -0.136 0.000 1.472 213 I CB -0.029 37.875 38.000 -0.161 0.000 1.094 213 I HN 0.366 nan 8.210 nan 0.000 0.454 214 L N 0.183 121.199 121.223 -0.346 0.000 2.191 214 L HA -0.221 4.120 4.340 0.001 0.000 0.212 214 L C 1.379 177.870 176.870 -0.630 0.000 1.103 214 L CA 1.685 56.210 54.840 -0.525 0.000 0.769 214 L CB -0.393 41.207 42.059 -0.765 0.000 0.908 214 L HN 0.300 nan 8.230 nan 0.000 0.438 215 Y N -0.542 119.624 120.300 -0.223 0.000 2.470 215 Y HA 0.282 4.832 4.550 0.001 0.000 0.284 215 Y C 1.571 177.437 175.900 -0.057 0.000 1.188 215 Y CA 0.341 58.309 58.100 -0.219 0.000 1.269 215 Y CB -0.066 38.151 38.460 -0.404 0.000 1.094 215 Y HN 0.290 nan 8.280 nan 0.000 0.518 216 G N 0.620 109.437 108.800 0.028 0.000 2.176 216 G HA2 -0.239 3.722 3.960 0.001 0.000 0.252 216 G HA3 -0.239 3.722 3.960 0.001 0.000 0.252 216 G C -0.491 174.460 174.900 0.085 0.000 1.024 216 G CA 0.242 45.386 45.100 0.074 0.000 0.755 216 G HN 0.176 nan 8.290 nan 0.000 0.507 217 V N 0.054 120.002 119.914 0.056 0.000 2.604 217 V HA 0.726 4.846 4.120 0.001 0.000 0.305 217 V C 0.732 176.825 176.094 -0.001 0.000 1.043 217 V CA -0.194 62.120 62.300 0.024 0.000 0.888 217 V CB 1.855 33.668 31.823 -0.017 0.000 0.995 217 V HN 0.572 nan 8.190 nan 0.000 0.429 218 S N 5.511 121.241 115.700 0.050 0.000 2.549 218 S HA 0.308 4.778 4.470 0.001 0.000 0.279 218 S C -1.266 173.347 174.600 0.021 0.000 1.321 218 S CA -0.928 57.323 58.200 0.085 0.000 1.054 218 S CB 1.075 64.412 63.200 0.228 0.000 0.899 218 S HN 0.710 nan 8.310 nan 0.000 0.497 219 P HA 0.178 nan 4.420 nan 0.000 0.255 219 P C -0.233 177.201 177.300 0.223 0.000 1.248 219 P CA 0.155 63.355 63.100 0.166 0.000 0.807 219 P CB 0.060 31.869 31.700 0.182 0.000 1.150 220 L N 1.652 122.966 121.223 0.150 0.000 2.399 220 L HA 0.360 4.700 4.340 0.001 0.000 0.265 220 L C -1.496 175.447 176.870 0.122 0.000 1.089 220 L CA -2.123 52.801 54.840 0.140 0.000 0.802 220 L CB 1.015 43.164 42.059 0.150 0.000 1.180 220 L HN -0.258 nan 8.230 nan 0.000 0.454 221 P HA 0.137 nan 4.420 nan 0.000 0.248 221 P C -1.364 175.969 177.300 0.055 0.000 1.708 221 P CA 0.004 63.147 63.100 0.072 0.000 1.062 221 P CB 0.014 31.748 31.700 0.057 0.000 1.562 222 D N -1.399 119.038 120.400 0.061 0.000 2.781 222 D HA 0.194 4.835 4.640 0.001 0.000 0.295 222 D C 0.359 176.686 176.300 0.045 0.000 1.143 222 D CA -1.018 53.010 54.000 0.046 0.000 1.076 222 D CB 0.922 41.751 40.800 0.049 0.000 1.444 222 D HN -0.266 nan 8.370 nan 0.000 0.567 223 R N -0.285 120.233 120.500 0.030 0.000 2.404 223 R HA 0.206 4.547 4.340 0.001 0.000 0.236 223 R C 0.272 176.587 176.300 0.025 0.000 1.044 223 R CA -0.158 55.956 56.100 0.022 0.000 1.133 223 R CB -0.166 30.141 30.300 0.011 0.000 1.142 223 R HN 0.473 nan 8.270 nan 0.000 0.512 224 S N -0.435 115.294 115.700 0.050 0.000 2.616 224 S HA 0.411 4.882 4.470 0.001 0.000 0.277 224 S C 0.378 175.031 174.600 0.087 0.000 1.234 224 S CA -0.733 57.498 58.200 0.053 0.000 1.028 224 S CB 1.891 65.144 63.200 0.089 0.000 0.988 224 S HN 0.175 nan 8.310 nan 0.000 0.522 225 T N -1.976 112.617 114.554 0.064 0.000 2.910 225 T HA 0.667 5.017 4.350 0.001 0.000 0.287 225 T C 1.300 176.089 174.700 0.148 0.000 1.050 225 T CA -0.404 61.742 62.100 0.077 0.000 1.011 225 T CB 0.918 69.805 68.868 0.031 0.000 1.195 225 T HN 0.697 nan 8.240 nan 0.000 0.540 226 G N -0.189 108.704 108.800 0.154 0.000 2.448 226 G HA2 0.062 4.023 3.960 0.001 0.000 0.219 226 G HA3 0.062 4.023 3.960 0.001 0.000 0.219 226 G C 1.538 176.550 174.900 0.186 0.000 1.127 226 G CA 0.615 45.849 45.100 0.223 0.000 0.766 226 G HN 1.117 nan 8.290 nan 0.000 0.552 227 A N 0.618 123.482 122.820 0.073 0.000 2.172 227 A HA 0.074 4.394 4.320 0.001 0.000 0.216 227 A C 1.851 179.387 177.584 -0.079 0.000 1.154 227 A CA 1.668 53.714 52.037 0.015 0.000 0.701 227 A CB -0.197 18.800 19.000 -0.004 0.000 0.789 227 A HN 0.289 nan 8.150 nan 0.000 0.465 228 D N -1.382 118.889 120.400 -0.213 0.000 2.312 228 D HA 0.008 4.649 4.640 0.001 0.000 0.211 228 D C 0.471 176.288 176.300 -0.805 0.000 0.964 228 D CA 1.032 54.700 54.000 -0.552 0.000 0.877 228 D CB -0.109 40.198 40.800 -0.821 0.000 0.924 228 D HN 0.581 nan 8.370 nan 0.000 0.515 229 F N -1.574 118.384 119.950 0.013 0.000 2.683 229 F HA 0.346 4.873 4.527 0.000 0.000 0.306 229 F C 1.614 177.429 175.800 0.026 0.000 1.102 229 F CA -0.250 57.757 58.000 0.012 0.000 1.244 229 F CB 0.830 39.834 39.000 0.007 0.000 1.029 229 F HN -0.077 nan 8.300 nan 0.000 0.545 230 G N 0.353 109.231 108.800 0.129 0.000 2.143 230 G HA2 -0.287 3.674 3.960 0.001 0.000 0.248 230 G HA3 -0.287 3.674 3.960 0.001 0.000 0.248 230 G C -0.112 174.943 174.900 0.258 0.000 0.991 230 G CA -0.064 45.132 45.100 0.160 0.000 0.689 230 G HN 0.351 nan 8.290 nan 0.000 0.522 231 C N 0.836 120.264 119.300 0.213 0.000 2.341 231 C HA 0.667 5.128 4.460 0.001 0.000 0.338 231 C C 0.591 175.669 174.990 0.146 0.000 1.257 231 C CA -0.684 58.460 59.018 0.209 0.000 1.883 231 C CB 1.186 29.012 27.740 0.144 0.000 2.334 231 C HN 0.590 nan 8.230 nan 0.000 0.524 232 Q N 4.072 123.952 119.800 0.133 0.000 2.241 232 Q HA 0.326 4.666 4.340 0.001 0.000 0.254 232 Q C -2.314 173.733 176.000 0.078 0.000 0.917 232 Q CA -1.520 54.309 55.803 0.044 0.000 0.919 232 Q CB 1.273 29.973 28.738 -0.064 0.000 1.237 232 Q HN 0.512 nan 8.270 nan 0.000 0.434 233 P HA -0.063 nan 4.420 nan 0.000 0.267 233 P C -0.021 177.370 177.300 0.151 0.000 1.205 233 P CA 0.220 63.396 63.100 0.126 0.000 0.765 233 P CB 1.082 32.853 31.700 0.119 0.000 0.828 234 V N 3.588 123.634 119.914 0.221 0.000 2.685 234 V HA 0.049 4.170 4.120 0.001 0.000 0.244 234 V C 1.476 177.744 176.094 0.290 0.000 1.054 234 V CA 1.178 63.630 62.300 0.254 0.000 1.076 234 V CB -0.362 31.636 31.823 0.291 0.000 0.725 234 V HN 0.556 nan 8.190 nan 0.000 0.467 235 M N 0.328 120.137 119.600 0.349 0.000 2.318 235 M HA 0.434 4.915 4.480 0.001 0.000 0.347 235 M C -0.905 175.521 176.300 0.210 0.000 1.175 235 M CA 0.244 55.677 55.300 0.222 0.000 1.075 235 M CB 1.591 34.251 32.600 0.100 0.000 1.614 235 M HN 0.133 nan 8.290 nan 0.000 0.456 236 S N 4.707 120.449 115.700 0.070 0.000 2.707 236 S HA 0.442 4.912 4.470 0.001 0.000 0.303 236 S C -1.201 173.277 174.600 -0.203 0.000 1.132 236 S CA -0.683 57.516 58.200 -0.001 0.000 1.046 236 S CB 1.361 64.555 63.200 -0.010 0.000 1.004 236 S HN 0.698 nan 8.310 nan 0.000 0.483 237 L N 5.455 126.364 121.223 -0.523 0.000 2.283 237 L HA 0.590 4.930 4.340 0.001 0.000 0.287 237 L C 0.342 176.949 176.870 -0.439 0.000 1.073 237 L CA 0.482 54.917 54.840 -0.675 0.000 0.822 237 L CB 0.154 41.345 42.059 -1.446 0.000 1.186 237 L HN 0.746 nan 8.230 nan 0.000 0.436 238 T N 1.226 115.609 114.554 -0.286 0.000 2.926 238 T HA 0.892 5.242 4.350 0.001 0.000 0.289 238 T C -0.203 174.389 174.700 -0.181 0.000 1.054 238 T CA -0.349 61.629 62.100 -0.204 0.000 1.015 238 T CB 1.873 70.656 68.868 -0.141 0.000 1.167 238 T HN 0.624 nan 8.240 nan 0.000 0.526 239 S N -0.586 115.024 115.700 -0.150 0.000 2.862 239 S HA 0.758 5.229 4.470 0.001 0.000 0.300 239 S C -1.620 172.915 174.600 -0.108 0.000 1.240 239 S CA -0.627 57.494 58.200 -0.132 0.000 1.025 239 S CB 0.882 63.989 63.200 -0.156 0.000 1.340 239 S HN 1.059 nan 8.310 nan 0.000 0.544 240 S N 0.148 115.787 115.700 -0.102 0.000 2.607 240 S HA 0.621 5.092 4.470 0.001 0.000 0.273 240 S C -1.537 173.010 174.600 -0.087 0.000 1.148 240 S CA -0.694 57.455 58.200 -0.085 0.000 0.833 240 S CB 1.182 64.341 63.200 -0.069 0.000 1.130 240 S HN 0.613 nan 8.310 nan 0.000 0.470 241 L N 2.310 123.487 121.223 -0.077 0.000 2.371 241 L HA 0.467 4.807 4.340 0.001 0.000 0.272 241 L C 0.855 177.686 176.870 -0.065 0.000 1.124 241 L CA -0.197 54.597 54.840 -0.076 0.000 0.816 241 L CB 0.530 42.549 42.059 -0.068 0.000 1.129 241 L HN 0.767 nan 8.230 nan 0.000 0.448 242 I N -0.390 120.140 120.570 -0.067 0.000 4.082 242 I HA 0.606 4.776 4.170 0.001 0.000 0.337 242 I C 0.285 176.372 176.117 -0.050 0.000 1.352 242 I CA -0.172 61.094 61.300 -0.056 0.000 1.097 242 I CB 0.591 38.555 38.000 -0.059 0.000 1.048 242 I HN 0.498 nan 8.210 nan 0.000 0.393 243 A N 0.500 123.288 122.820 -0.052 0.000 2.590 243 A HA 0.686 5.007 4.320 0.001 0.000 0.296 243 A C -1.523 176.034 177.584 -0.045 0.000 1.050 243 A CA -0.411 51.600 52.037 -0.044 0.000 0.697 243 A CB 1.508 20.482 19.000 -0.043 0.000 1.277 243 A HN -0.046 nan 8.150 nan 0.000 0.411 244 V N 2.861 122.755 119.914 -0.033 0.000 2.447 244 V HA 0.556 4.676 4.120 0.001 0.000 0.292 244 V C -0.117 175.970 176.094 -0.013 0.000 1.021 244 V CA -0.334 61.949 62.300 -0.028 0.000 0.850 244 V CB 1.485 33.294 31.823 -0.024 0.000 1.005 244 V HN 0.929 nan 8.190 nan 0.000 0.426 245 R N 2.631 123.127 120.500 -0.006 0.000 2.854 245 R HA 0.646 4.987 4.340 0.001 0.000 0.271 245 R C -0.815 175.513 176.300 0.047 0.000 0.996 245 R CA -1.022 55.088 56.100 0.017 0.000 0.961 245 R CB 1.984 32.295 30.300 0.018 0.000 1.182 245 R HN 0.500 nan 8.270 nan 0.000 0.479 246 E N 1.348 121.584 120.200 0.060 0.000 2.366 246 E HA 0.140 4.491 4.350 0.001 0.000 0.266 246 E C -0.788 175.907 176.600 0.157 0.000 1.051 246 E CA 0.005 56.455 56.400 0.083 0.000 0.884 246 E CB 1.079 30.809 29.700 0.050 0.000 1.006 246 E HN 0.413 nan 8.360 nan 0.000 0.417 247 H N 0.190 119.282 119.070 0.037 0.000 2.961 247 H HA 0.415 4.971 4.556 0.001 0.000 0.371 247 H C -1.070 174.285 175.328 0.044 0.000 1.190 247 H CA -0.590 55.490 56.048 0.053 0.000 1.138 247 H CB 1.275 31.096 29.762 0.098 0.000 1.816 247 H HN 0.210 nan 8.280 nan 0.000 0.551 248 K N 1.711 121.862 120.400 -0.415 0.000 2.340 248 K HA 0.706 5.027 4.320 0.001 0.000 0.244 248 K C -0.788 175.657 176.600 -0.258 0.000 0.973 248 K CA -1.095 55.050 56.287 -0.236 0.000 0.828 248 K CB 2.305 34.709 32.500 -0.160 0.000 1.226 248 K HN 0.692 nan 8.250 nan 0.000 0.437 249 A N 0.412 123.157 122.820 -0.124 0.000 2.561 249 A HA 0.337 4.658 4.320 0.001 0.000 0.234 249 A C 1.213 178.712 177.584 -0.141 0.000 1.055 249 A CA 1.373 53.345 52.037 -0.108 0.000 0.756 249 A CB -0.886 18.074 19.000 -0.066 0.000 0.986 249 A HN 0.975 nan 8.150 nan 0.000 0.505 250 G N 1.233 109.941 108.800 -0.152 0.000 2.234 250 G HA2 -0.231 3.730 3.960 0.001 0.000 0.260 250 G HA3 -0.231 3.730 3.960 0.001 0.000 0.260 250 G C 0.075 174.887 174.900 -0.146 0.000 0.987 250 G CA 0.633 45.648 45.100 -0.141 0.000 0.625 250 G HN 0.917 nan 8.290 nan 0.000 0.532 251 E N 2.225 122.311 120.200 -0.190 0.000 2.259 251 E HA 0.413 4.764 4.350 0.001 0.000 0.281 251 E C -2.094 174.536 176.600 0.050 0.000 1.027 251 E CA -1.696 54.617 56.400 -0.145 0.000 0.838 251 E CB 1.779 31.245 29.700 -0.391 0.000 1.066 251 E HN 0.290 nan 8.360 nan 0.000 0.401 252 P HA 0.188 nan 4.420 nan 0.000 0.278 252 P C -0.736 176.727 177.300 0.271 0.000 1.266 252 P CA -0.397 62.785 63.100 0.137 0.000 0.807 252 P CB 1.144 32.890 31.700 0.076 0.000 1.094 253 V N -0.401 119.681 119.914 0.280 0.000 2.760 253 V HA 0.654 4.774 4.120 0.001 0.000 0.309 253 V C 0.483 176.646 176.094 0.115 0.000 1.077 253 V CA 0.264 62.681 62.300 0.195 0.000 0.910 253 V CB 0.928 32.874 31.823 0.205 0.000 1.008 253 V HN 1.143 nan 8.190 nan 0.000 0.424 254 G N 3.080 111.879 108.800 -0.001 0.000 2.796 254 G HA2 -0.203 3.757 3.960 0.001 0.000 0.226 254 G HA3 -0.203 3.757 3.960 0.001 0.000 0.226 254 G C -0.788 174.097 174.900 -0.025 0.000 1.381 254 G CA -0.491 44.556 45.100 -0.087 0.000 0.867 254 G HN 0.756 nan 8.290 nan 0.000 0.552 255 Y N 0.938 121.281 120.300 0.071 0.000 2.610 255 Y HA 0.321 4.871 4.550 0.001 0.000 0.332 255 Y C 1.956 177.899 175.900 0.071 0.000 1.201 255 Y CA 1.583 59.723 58.100 0.067 0.000 1.465 255 Y CB 0.687 39.189 38.460 0.070 0.000 1.283 255 Y HN 2.111 nan 8.280 nan 0.000 0.563 256 G N 1.318 110.260 108.800 0.237 0.000 2.189 256 G HA2 -0.197 3.764 3.960 0.001 0.000 0.267 256 G HA3 -0.197 3.764 3.960 0.001 0.000 0.267 256 G C 1.056 176.029 174.900 0.121 0.000 0.975 256 G CA 0.490 45.680 45.100 0.149 0.000 0.644 256 G HN 1.840 nan 8.290 nan 0.000 0.537 257 G N -1.142 107.733 108.800 0.126 0.000 2.321 257 G HA2 -0.175 3.786 3.960 0.001 0.000 0.287 257 G HA3 -0.175 3.786 3.960 0.001 0.000 0.287 257 G C 1.182 176.153 174.900 0.118 0.000 1.018 257 G CA 1.561 46.726 45.100 0.108 0.000 0.855 257 G HN 1.453 nan 8.290 nan 0.000 0.507 258 T N -1.730 112.914 114.554 0.150 0.000 2.721 258 T HA -0.120 4.230 4.350 0.001 0.000 0.268 258 T C 0.817 175.653 174.700 0.228 0.000 1.038 258 T CA 1.851 64.050 62.100 0.167 0.000 1.145 258 T CB 0.039 69.011 68.868 0.174 0.000 0.858 258 T HN 0.651 nan 8.240 nan 0.000 0.459 259 W N 0.763 122.087 121.300 0.039 0.000 2.785 259 W HA 0.549 5.209 4.660 0.000 0.000 0.333 259 W C -1.965 174.585 176.519 0.051 0.000 1.062 259 W CA -0.995 56.372 57.345 0.036 0.000 1.233 259 W CB 1.385 30.858 29.460 0.022 0.000 1.413 259 W HN -0.324 nan 8.180 nan 0.000 0.489 260 V N 4.942 124.417 119.914 -0.731 0.000 2.540 260 V HA 0.370 4.491 4.120 0.001 0.000 0.302 260 V C -0.024 175.336 176.094 -1.222 0.000 1.035 260 V CA -0.959 60.932 62.300 -0.682 0.000 0.873 260 V CB 1.427 33.050 31.823 -0.333 0.000 0.992 260 V HN 0.536 nan 8.190 nan 0.000 0.428 261 S N 2.303 117.399 115.700 -1.007 0.000 2.548 261 S HA 0.232 4.703 4.470 0.001 0.000 0.277 261 S C 0.842 175.251 174.600 -0.318 0.000 1.315 261 S CA -0.284 57.471 58.200 -0.741 0.000 1.050 261 S CB 0.778 63.919 63.200 -0.097 0.000 0.918 261 S HN 0.836 nan 8.310 nan 0.000 0.497 262 E N 1.961 122.048 120.200 -0.188 0.000 2.479 262 E HA 0.095 4.445 4.350 0.001 0.000 0.193 262 E C -0.099 176.481 176.600 -0.033 0.000 1.049 262 E CA 0.015 56.358 56.400 -0.096 0.000 0.870 262 E CB 0.349 30.011 29.700 -0.063 0.000 0.944 262 E HN 0.586 nan 8.360 nan 0.000 0.492 263 R N -0.709 119.794 120.500 0.005 0.000 2.710 263 R HA 0.336 4.676 4.340 0.001 0.000 0.270 263 R C -1.473 174.861 176.300 0.058 0.000 1.021 263 R CA -0.929 55.190 56.100 0.031 0.000 0.889 263 R CB 0.172 30.503 30.300 0.051 0.000 1.243 263 R HN -0.301 nan 8.270 nan 0.000 0.464 264 D N 0.331 120.753 120.400 0.037 0.000 2.424 264 D HA 0.406 5.047 4.640 0.001 0.000 0.244 264 D C -0.289 176.066 176.300 0.091 0.000 1.134 264 D CA 0.661 54.688 54.000 0.044 0.000 0.881 264 D CB 1.394 42.206 40.800 0.020 0.000 1.191 264 D HN 0.569 nan 8.370 nan 0.000 0.445 265 T N 1.187 115.823 114.554 0.136 0.000 2.648 265 T HA 0.512 4.862 4.350 0.001 0.000 0.304 265 T C -1.359 173.420 174.700 0.132 0.000 1.312 265 T CA -0.716 61.466 62.100 0.137 0.000 1.023 265 T CB 0.932 69.912 68.868 0.187 0.000 1.612 265 T HN 0.272 nan 8.240 nan 0.000 0.487 266 R N 1.107 121.660 120.500 0.090 0.000 2.534 266 R HA 0.674 5.015 4.340 0.001 0.000 0.301 266 R C -1.005 175.305 176.300 0.016 0.000 0.961 266 R CA -0.717 55.417 56.100 0.057 0.000 0.871 266 R CB 1.611 31.927 30.300 0.028 0.000 1.170 266 R HN 0.429 nan 8.270 nan 0.000 0.446 267 L N 1.437 122.654 121.223 -0.011 0.000 2.325 267 L HA 0.610 4.951 4.340 0.001 0.000 0.278 267 L C 0.645 177.467 176.870 -0.080 0.000 1.023 267 L CA -0.843 53.945 54.840 -0.087 0.000 0.811 267 L CB 1.971 43.937 42.059 -0.156 0.000 1.249 267 L HN 0.709 nan 8.230 nan 0.000 0.431 268 G N 1.644 110.381 108.800 -0.104 0.000 2.400 268 G HA2 0.594 4.554 3.960 0.001 0.000 0.333 268 G HA3 0.594 4.554 3.960 0.001 0.000 0.333 268 G C -1.062 173.770 174.900 -0.113 0.000 1.143 268 G CA -0.357 44.687 45.100 -0.094 0.000 0.914 268 G HN 0.287 nan 8.290 nan 0.000 0.480 269 V N 1.965 121.818 119.914 -0.100 0.000 2.409 269 V HA 0.379 4.499 4.120 0.001 0.000 0.291 269 V C 0.009 176.036 176.094 -0.111 0.000 1.020 269 V CA -0.659 61.575 62.300 -0.110 0.000 0.848 269 V CB 1.465 33.231 31.823 -0.094 0.000 0.990 269 V HN 0.563 nan 8.190 nan 0.000 0.430 270 V N 3.460 123.294 119.914 -0.133 0.000 2.539 270 V HA 0.551 4.672 4.120 0.001 0.000 0.292 270 V C 0.837 176.848 176.094 -0.138 0.000 1.045 270 V CA -0.507 61.707 62.300 -0.143 0.000 0.945 270 V CB 1.669 33.380 31.823 -0.186 0.000 0.993 270 V HN 0.971 nan 8.190 nan 0.000 0.464 271 A N 5.654 128.399 122.820 -0.125 0.000 3.063 271 A HA 0.638 4.959 4.320 0.001 0.000 0.263 271 A C -0.145 177.360 177.584 -0.133 0.000 1.736 271 A CA 0.095 52.064 52.037 -0.113 0.000 1.408 271 A CB -0.836 18.108 19.000 -0.094 0.000 1.108 271 A HN 0.840 nan 8.150 nan 0.000 0.621 272 M N 0.849 120.357 119.600 -0.154 0.000 2.365 272 M HA 0.628 5.109 4.480 0.001 0.000 0.288 272 M C -0.405 175.803 176.300 -0.153 0.000 1.152 272 M CA 0.169 55.367 55.300 -0.169 0.000 0.948 272 M CB 1.571 34.017 32.600 -0.257 0.000 1.729 272 M HN 0.556 nan 8.290 nan 0.000 0.487 273 G N 2.076 110.822 108.800 -0.091 0.000 2.706 273 G HA2 0.390 4.350 3.960 0.001 0.000 0.307 273 G HA3 0.390 4.350 3.960 0.001 0.000 0.307 273 G C -0.825 174.102 174.900 0.046 0.000 1.307 273 G CA -0.077 44.980 45.100 -0.071 0.000 0.790 273 G HN 0.962 nan 8.290 nan 0.000 0.503 274 Y N -0.883 119.490 120.300 0.122 0.000 2.529 274 Y HA 0.334 4.885 4.550 0.001 0.000 0.290 274 Y C 1.977 177.917 175.900 0.067 0.000 1.177 274 Y CA 0.515 58.681 58.100 0.109 0.000 1.305 274 Y CB -0.021 38.493 38.460 0.091 0.000 1.047 274 Y HN 0.439 nan 8.280 nan 0.000 0.522 275 G N 0.178 108.911 108.800 -0.112 0.000 2.744 275 G HA2 -0.088 3.872 3.960 0.001 0.000 0.211 275 G HA3 -0.088 3.872 3.960 0.001 0.000 0.211 275 G C 1.031 175.936 174.900 0.008 0.000 1.143 275 G CA 0.648 45.726 45.100 -0.036 0.000 0.788 275 G HN 0.427 nan 8.290 nan 0.000 0.534 276 D N -0.611 119.802 120.400 0.022 0.000 2.423 276 D HA 0.167 4.807 4.640 0.001 0.000 0.212 276 D C 1.849 178.187 176.300 0.062 0.000 1.060 276 D CA 0.929 54.941 54.000 0.020 0.000 0.872 276 D CB 0.992 41.785 40.800 -0.011 0.000 1.012 276 D HN 0.369 nan 8.370 nan 0.000 0.503 277 G N 0.827 109.701 108.800 0.123 0.000 2.227 277 G HA2 -0.227 3.733 3.960 0.001 0.000 0.168 277 G HA3 -0.227 3.733 3.960 0.001 0.000 0.168 277 G C -0.144 174.868 174.900 0.185 0.000 1.006 277 G CA -0.521 44.663 45.100 0.140 0.000 0.684 277 G HN 0.273 nan 8.290 nan 0.000 0.489 278 Y N 4.006 124.376 120.300 0.117 0.000 2.402 278 Y HA 0.471 5.021 4.550 0.001 0.000 0.333 278 Y C -1.596 174.420 175.900 0.192 0.000 1.076 278 Y CA -1.639 56.551 58.100 0.151 0.000 1.299 278 Y CB 0.902 39.404 38.460 0.069 0.000 1.197 278 Y HN 0.074 nan 8.280 nan 0.000 0.517 279 P HA -0.081 nan 4.420 nan 0.000 0.260 279 P C 0.044 177.403 177.300 0.098 0.000 1.185 279 P CA 0.368 63.418 63.100 -0.083 0.000 0.763 279 P CB 0.661 32.246 31.700 -0.193 0.000 0.776 280 R N 3.899 124.464 120.500 0.108 0.000 2.189 280 R HA -0.072 4.269 4.340 0.001 0.000 0.223 280 R C 1.853 178.203 176.300 0.083 0.000 1.092 280 R CA 1.284 57.464 56.100 0.132 0.000 0.989 280 R CB -0.410 29.802 30.300 -0.148 0.000 0.876 280 R HN 0.500 nan 8.270 nan 0.000 0.457 281 A N 0.719 123.558 122.820 0.031 0.000 2.167 281 A HA 0.220 4.540 4.320 0.001 0.000 0.214 281 A C 0.952 178.568 177.584 0.052 0.000 1.151 281 A CA 0.581 52.633 52.037 0.025 0.000 0.735 281 A CB -0.243 18.753 19.000 -0.007 0.000 0.802 281 A HN 0.403 nan 8.150 nan 0.000 0.467 282 A N 2.047 124.918 122.820 0.085 0.000 2.553 282 A HA 0.420 4.741 4.320 0.001 0.000 0.258 282 A C -1.914 175.737 177.584 0.112 0.000 1.069 282 A CA -0.631 51.479 52.037 0.121 0.000 0.767 282 A CB -0.381 18.783 19.000 0.275 0.000 0.997 282 A HN 0.391 nan 8.150 nan 0.000 0.512 283 P HA 0.195 nan 4.420 nan 0.000 0.276 283 P C -0.166 177.167 177.300 0.056 0.000 1.244 283 P CA -0.421 62.722 63.100 0.072 0.000 0.801 283 P CB 0.843 32.580 31.700 0.062 0.000 1.006 284 S N 0.196 115.925 115.700 0.049 0.000 2.558 284 S HA 0.331 4.802 4.470 0.001 0.000 0.288 284 S C 1.512 176.110 174.600 -0.003 0.000 1.318 284 S CA 1.278 59.467 58.200 -0.019 0.000 1.056 284 S CB -0.451 62.762 63.200 0.023 0.000 0.853 284 S HN 0.937 nan 8.310 nan 0.000 0.505 285 G N 2.377 111.144 108.800 -0.054 0.000 2.254 285 G HA2 -0.238 3.722 3.960 0.001 0.000 0.225 285 G HA3 -0.238 3.722 3.960 0.001 0.000 0.225 285 G C 0.248 175.152 174.900 0.006 0.000 1.003 285 G CA -0.042 45.051 45.100 -0.012 0.000 0.622 285 G HN 0.764 nan 8.290 nan 0.000 0.507 286 T N 5.019 119.587 114.554 0.024 0.000 2.908 286 T HA 0.424 4.774 4.350 0.001 0.000 0.301 286 T C -1.779 172.950 174.700 0.049 0.000 1.019 286 T CA 0.493 62.631 62.100 0.062 0.000 1.152 286 T CB 1.402 70.342 68.868 0.121 0.000 0.966 286 T HN 0.351 nan 8.240 nan 0.000 0.540 287 P HA 0.351 nan 4.420 nan 0.000 0.275 287 P C -0.887 176.451 177.300 0.063 0.000 1.227 287 P CA -0.330 62.799 63.100 0.048 0.000 0.781 287 P CB 1.061 32.792 31.700 0.053 0.000 0.906 288 V N 4.538 124.463 119.914 0.018 0.000 2.851 288 V HA 0.382 4.502 4.120 0.001 0.000 0.307 288 V C -1.258 174.826 176.094 -0.016 0.000 1.129 288 V CA -1.059 61.241 62.300 -0.001 0.000 0.932 288 V CB 2.022 33.806 31.823 -0.066 0.000 1.024 288 V HN 0.292 nan 8.190 nan 0.000 0.426 289 L N 6.364 127.579 121.223 -0.013 0.000 2.265 289 L HA 0.617 4.958 4.340 0.001 0.000 0.288 289 L C -0.644 176.202 176.870 -0.040 0.000 1.058 289 L CA -0.662 54.167 54.840 -0.018 0.000 0.809 289 L CB 1.606 43.663 42.059 -0.004 0.000 1.179 289 L HN 0.459 nan 8.230 nan 0.000 0.429 290 V N 3.904 123.794 119.914 -0.040 0.000 2.378 290 V HA 0.276 4.397 4.120 0.001 0.000 0.288 290 V C 0.220 176.293 176.094 -0.035 0.000 1.016 290 V CA -0.661 61.611 62.300 -0.047 0.000 0.840 290 V CB 1.232 33.023 31.823 -0.054 0.000 0.994 290 V HN 0.888 nan 8.190 nan 0.000 0.431 291 N N 4.064 122.744 118.700 -0.034 0.000 2.735 291 N HA -0.204 4.537 4.740 0.001 0.000 0.248 291 N C 1.162 176.660 175.510 -0.019 0.000 1.083 291 N CA 1.339 54.373 53.050 -0.026 0.000 0.703 291 N CB -0.882 37.590 38.487 -0.024 0.000 1.005 291 N HN 1.523 nan 8.380 nan 0.000 0.550 292 G N -0.461 108.328 108.800 -0.018 0.000 2.168 292 G HA2 -0.355 3.605 3.960 0.001 0.000 0.257 292 G HA3 -0.355 3.605 3.960 0.001 0.000 0.257 292 G C -0.039 174.857 174.900 -0.007 0.000 0.997 292 G CA 0.739 45.833 45.100 -0.010 0.000 0.708 292 G HN 0.652 nan 8.290 nan 0.000 0.520 293 R N 0.564 121.057 120.500 -0.011 0.000 2.561 293 R HA 0.445 4.786 4.340 0.001 0.000 0.297 293 R C -0.455 175.838 176.300 -0.011 0.000 0.969 293 R CA -0.654 55.440 56.100 -0.009 0.000 0.879 293 R CB 1.143 31.437 30.300 -0.011 0.000 1.178 293 R HN 0.371 nan 8.270 nan 0.000 0.445 294 E N 3.716 123.913 120.200 -0.005 0.000 2.324 294 E HA 0.217 4.567 4.350 0.001 0.000 0.271 294 E C -0.623 175.968 176.600 -0.014 0.000 1.028 294 E CA -0.396 56.002 56.400 -0.004 0.000 0.890 294 E CB 0.812 30.516 29.700 0.007 0.000 1.004 294 E HN 0.419 nan 8.360 nan 0.000 0.431 295 V N 2.073 121.971 119.914 -0.028 0.000 2.962 295 V HA 0.713 4.834 4.120 0.001 0.000 0.313 295 V C -2.676 173.382 176.094 -0.060 0.000 1.099 295 V CA -2.376 59.897 62.300 -0.046 0.000 0.971 295 V CB 1.690 33.476 31.823 -0.062 0.000 1.028 295 V HN 0.624 nan 8.190 nan 0.000 0.430 296 P HA 0.519 nan 4.420 nan 0.000 0.290 296 P C -0.478 176.712 177.300 -0.182 0.000 1.275 296 P CA -0.565 62.473 63.100 -0.105 0.000 0.841 296 P CB 1.699 33.341 31.700 -0.097 0.000 1.042 297 I N 2.136 122.612 120.570 -0.157 0.000 2.529 297 I HA 0.128 4.299 4.170 0.001 0.000 0.284 297 I C 0.531 176.444 176.117 -0.339 0.000 1.082 297 I CA -0.355 60.827 61.300 -0.197 0.000 1.406 297 I CB 1.008 38.957 38.000 -0.084 0.000 1.405 297 I HN 0.152 nan 8.210 nan 0.000 0.548 298 V N 3.137 122.759 119.914 -0.488 0.000 2.483 298 V HA 0.990 5.110 4.120 0.001 0.000 0.297 298 V C 0.029 175.884 176.094 -0.399 0.000 1.027 298 V CA -0.295 61.491 62.300 -0.856 0.000 0.855 298 V CB 0.707 31.442 31.823 -1.813 0.000 0.995 298 V HN 1.133 nan 8.190 nan 0.000 0.424 299 G N 4.018 112.744 108.800 -0.123 0.000 2.707 299 G HA2 -0.019 3.941 3.960 0.001 0.000 0.686 299 G HA3 -0.019 3.941 3.960 0.001 0.000 0.686 299 G C -0.352 174.581 174.900 0.055 0.000 1.315 299 G CA -0.264 44.877 45.100 0.068 0.000 0.832 299 G HN 1.955 nan 8.290 nan 0.000 0.573 300 R N -0.747 119.820 120.500 0.112 0.000 2.623 300 R HA 0.461 4.801 4.340 0.001 0.000 0.271 300 R C 0.183 176.568 176.300 0.143 0.000 1.043 300 R CA -0.319 55.870 56.100 0.147 0.000 1.083 300 R CB 0.693 31.116 30.300 0.205 0.000 0.974 300 R HN 0.710 nan 8.270 nan 0.000 0.436 301 V N 3.904 123.927 119.914 0.183 0.000 2.470 301 V HA 0.355 4.475 4.120 0.001 0.000 0.276 301 V C 0.813 177.086 176.094 0.298 0.000 1.040 301 V CA 0.353 62.775 62.300 0.204 0.000 1.008 301 V CB 0.401 32.404 31.823 0.300 0.000 0.990 301 V HN 1.000 nan 8.190 nan 0.000 0.477 302 A N 5.015 127.945 122.820 0.184 0.000 2.274 302 A HA 0.558 4.879 4.320 0.001 0.000 0.297 302 A C 1.227 178.652 177.584 -0.266 0.000 1.191 302 A CA -0.390 51.757 52.037 0.182 0.000 0.889 302 A CB 0.538 19.631 19.000 0.155 0.000 1.294 302 A HN 0.860 nan 8.150 nan 0.000 0.506 303 M N -0.861 118.399 119.600 -0.567 0.000 2.159 303 M HA -0.121 4.359 4.480 0.001 0.000 0.263 303 M C 0.112 176.118 176.300 -0.491 0.000 1.063 303 M CA 2.244 56.899 55.300 -1.075 0.000 1.110 303 M CB -0.099 32.163 32.600 -0.563 0.000 1.374 303 M HN 0.739 nan 8.290 nan 0.000 0.411 304 D N -1.119 119.131 120.400 -0.250 0.000 2.500 304 D HA 0.242 4.883 4.640 0.001 0.000 0.218 304 D C 0.145 176.368 176.300 -0.127 0.000 1.140 304 D CA 0.306 54.211 54.000 -0.158 0.000 0.830 304 D CB 0.786 41.521 40.800 -0.109 0.000 1.055 304 D HN 0.368 nan 8.370 nan 0.000 0.512 305 M N 0.647 120.176 119.600 -0.118 0.000 2.593 305 M HA 0.515 4.995 4.480 0.001 0.000 0.290 305 M C -1.280 174.954 176.300 -0.110 0.000 1.244 305 M CA -0.626 54.606 55.300 -0.113 0.000 0.857 305 M CB 3.484 36.022 32.600 -0.103 0.000 1.738 305 M HN -0.309 nan 8.290 nan 0.000 0.461 306 I N 0.579 121.065 120.570 -0.139 0.000 2.607 306 I HA 0.398 4.568 4.170 0.001 0.000 0.290 306 I C -1.231 174.789 176.117 -0.161 0.000 1.129 306 I CA -0.640 60.569 61.300 -0.152 0.000 1.042 306 I CB 2.192 40.050 38.000 -0.235 0.000 1.242 306 I HN 0.675 nan 8.210 nan 0.000 0.421 307 C N 5.711 124.913 119.300 -0.163 0.000 2.358 307 C HA 0.761 5.221 4.460 0.001 0.000 0.342 307 C C 0.225 175.074 174.990 -0.236 0.000 1.234 307 C CA -0.544 58.359 59.018 -0.192 0.000 1.969 307 C CB 1.067 28.687 27.740 -0.200 0.000 2.346 307 C HN 0.548 nan 8.230 nan 0.000 0.525 308 V N -0.086 119.689 119.914 -0.231 0.000 2.962 308 V HA 0.619 4.739 4.120 0.001 0.000 0.313 308 V C -0.976 174.970 176.094 -0.246 0.000 1.099 308 V CA -0.473 61.683 62.300 -0.241 0.000 0.971 308 V CB 1.957 33.677 31.823 -0.172 0.000 1.028 308 V HN 0.727 nan 8.190 nan 0.000 0.430 309 D N 2.030 122.272 120.400 -0.262 0.000 2.347 309 D HA 0.465 5.106 4.640 0.001 0.000 0.235 309 D C 0.651 176.897 176.300 -0.090 0.000 1.149 309 D CA -0.061 53.828 54.000 -0.186 0.000 0.850 309 D CB 1.427 42.109 40.800 -0.197 0.000 1.061 309 D HN 0.639 nan 8.370 nan 0.000 0.487 310 L N 2.556 123.745 121.223 -0.056 0.000 2.253 310 L HA 0.362 4.702 4.340 0.001 0.000 0.205 310 L C 1.316 178.183 176.870 -0.004 0.000 1.078 310 L CA 0.344 55.165 54.840 -0.032 0.000 0.805 310 L CB -0.181 41.859 42.059 -0.033 0.000 0.963 310 L HN 0.602 nan 8.230 nan 0.000 0.459 311 G N -0.715 108.096 108.800 0.018 0.000 2.465 311 G HA2 -0.076 3.884 3.960 0.001 0.000 0.681 311 G HA3 -0.076 3.884 3.960 0.001 0.000 0.681 311 G C -2.498 172.425 174.900 0.038 0.000 1.340 311 G CA -0.420 44.700 45.100 0.034 0.000 0.884 311 G HN -0.189 nan 8.290 nan 0.000 0.650 312 P HA -0.140 nan 4.420 nan 0.000 0.216 312 P C 0.798 178.115 177.300 0.028 0.000 1.150 312 P CA 1.557 64.682 63.100 0.042 0.000 0.843 312 P CB 0.257 31.981 31.700 0.039 0.000 0.787 313 Q N -1.015 118.797 119.800 0.021 0.000 2.233 313 Q HA 0.467 4.807 4.340 0.001 0.000 0.340 313 Q C -0.256 175.749 176.000 0.009 0.000 0.899 313 Q CA -0.348 55.463 55.803 0.013 0.000 1.139 313 Q CB 0.500 29.245 28.738 0.011 0.000 1.273 313 Q HN 0.129 nan 8.270 nan 0.000 0.431 314 A N 0.295 123.120 122.820 0.008 0.000 2.371 314 A HA 0.247 4.568 4.320 0.001 0.000 0.257 314 A C 0.411 177.994 177.584 -0.002 0.000 1.089 314 A CA -0.131 51.907 52.037 0.001 0.000 0.794 314 A CB 0.582 19.580 19.000 -0.003 0.000 1.029 314 A HN 0.415 nan 8.150 nan 0.000 0.488 315 Q N 0.456 120.252 119.800 -0.005 0.000 2.188 315 Q HA 0.056 4.396 4.340 0.001 0.000 0.212 315 Q C -0.686 175.307 176.000 -0.012 0.000 0.846 315 Q CA -0.181 55.618 55.803 -0.007 0.000 0.989 315 Q CB 0.305 29.040 28.738 -0.006 0.000 1.114 315 Q HN 0.818 nan 8.270 nan 0.000 0.488 316 D N 1.373 121.763 120.400 -0.016 0.000 2.399 316 D HA 0.118 4.758 4.640 0.001 0.000 0.241 316 D C -0.246 176.041 176.300 -0.023 0.000 1.133 316 D CA 0.690 54.677 54.000 -0.022 0.000 0.890 316 D CB 0.979 41.761 40.800 -0.030 0.000 1.201 316 D HN -0.100 nan 8.370 nan 0.000 0.432 317 K N 0.049 120.433 120.400 -0.026 0.000 2.469 317 K HA 0.491 4.811 4.320 0.001 0.000 0.254 317 K C -0.809 175.773 176.600 -0.031 0.000 0.939 317 K CA -0.775 55.497 56.287 -0.025 0.000 0.812 317 K CB 2.315 34.803 32.500 -0.020 0.000 1.301 317 K HN 0.494 nan 8.250 nan 0.000 0.433 318 A N 1.092 123.893 122.820 -0.031 0.000 2.598 318 A HA 0.319 4.639 4.320 0.001 0.000 0.239 318 A C 1.243 178.806 177.584 -0.034 0.000 1.032 318 A CA 1.641 53.657 52.037 -0.036 0.000 0.760 318 A CB -0.899 18.081 19.000 -0.032 0.000 0.946 318 A HN 1.023 nan 8.150 nan 0.000 0.512 319 G N 1.964 110.740 108.800 -0.040 0.000 2.232 319 G HA2 -0.178 3.782 3.960 0.001 0.000 0.226 319 G HA3 -0.178 3.782 3.960 0.001 0.000 0.226 319 G C -0.037 174.839 174.900 -0.040 0.000 0.996 319 G CA 0.254 45.331 45.100 -0.038 0.000 0.626 319 G HN 0.853 nan 8.290 nan 0.000 0.509 320 D N 3.036 123.411 120.400 -0.041 0.000 2.399 320 D HA 0.414 5.054 4.640 0.001 0.000 0.241 320 D C -1.764 174.506 176.300 -0.049 0.000 1.133 320 D CA -0.803 53.173 54.000 -0.041 0.000 0.890 320 D CB 1.028 41.805 40.800 -0.038 0.000 1.201 320 D HN 0.254 nan 8.370 nan 0.000 0.432 321 P HA 0.018 nan 4.420 nan 0.000 0.268 321 P C -0.653 176.610 177.300 -0.062 0.000 1.204 321 P CA -0.119 62.949 63.100 -0.054 0.000 0.768 321 P CB 0.750 32.424 31.700 -0.044 0.000 0.842 322 V N 5.169 125.035 119.914 -0.078 0.000 2.656 322 V HA 0.438 4.558 4.120 0.001 0.000 0.307 322 V C 0.395 176.429 176.094 -0.100 0.000 1.051 322 V CA -0.678 61.568 62.300 -0.091 0.000 0.893 322 V CB 2.142 33.895 31.823 -0.116 0.000 0.999 322 V HN 0.410 nan 8.190 nan 0.000 0.426 323 I N 4.721 125.240 120.570 -0.085 0.000 2.410 323 I HA 0.267 4.438 4.170 0.001 0.000 0.286 323 I C 0.472 176.545 176.117 -0.073 0.000 1.009 323 I CA -0.493 60.757 61.300 -0.083 0.000 1.111 323 I CB 1.915 39.895 38.000 -0.033 0.000 1.262 323 I HN 0.458 nan 8.210 nan 0.000 0.443 324 L N 5.627 126.763 121.223 -0.146 0.000 2.179 324 L HA 0.058 4.398 4.340 0.001 0.000 0.208 324 L C -0.084 176.906 176.870 0.199 0.000 1.096 324 L CA 1.372 56.170 54.840 -0.070 0.000 0.779 324 L CB -0.827 41.081 42.059 -0.251 0.000 0.922 324 L HN 0.773 nan 8.230 nan 0.000 0.443 325 W N -2.898 118.437 121.300 0.058 0.000 3.499 325 W HA 0.539 5.200 4.660 0.001 0.000 0.288 325 W C -0.254 176.282 176.519 0.028 0.000 1.258 325 W CA -0.431 56.944 57.345 0.049 0.000 1.203 325 W CB 0.016 29.513 29.460 0.062 0.000 1.325 325 W HN 0.072 nan 8.180 nan 0.000 0.564 326 G N 0.406 109.413 108.800 0.345 0.000 2.251 326 G HA2 0.020 3.980 3.960 0.001 0.000 0.058 326 G HA3 0.020 3.980 3.960 0.001 0.000 0.058 326 G C -1.078 173.904 174.900 0.137 0.000 0.922 326 G CA -0.306 44.929 45.100 0.226 0.000 1.133 326 G HN 0.880 nan 8.290 nan 0.000 0.410 327 E N 1.634 121.884 120.200 0.084 0.000 2.003 327 E HA 0.435 4.786 4.350 0.001 0.000 0.279 327 E C 1.082 177.709 176.600 0.045 0.000 1.132 327 E CA 0.814 57.247 56.400 0.055 0.000 0.888 327 E CB -0.223 29.497 29.700 0.034 0.000 1.056 327 E HN 1.882 nan 8.360 nan 0.000 0.399 328 G N 3.903 112.731 108.800 0.047 0.000 2.259 328 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 328 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 328 G C -0.221 174.712 174.900 0.054 0.000 1.001 328 G CA 0.052 45.176 45.100 0.040 0.000 0.627 328 G HN 0.528 nan 8.290 nan 0.000 0.501 329 L N 2.183 123.455 121.223 0.082 0.000 2.534 329 L HA 0.621 4.962 4.340 0.001 0.000 0.259 329 L C -2.534 174.420 176.870 0.139 0.000 1.108 329 L CA -1.901 53.002 54.840 0.105 0.000 0.905 329 L CB 1.448 43.582 42.059 0.124 0.000 1.138 329 L HN -0.099 nan 8.230 nan 0.000 0.475 330 P HA -0.016 nan 4.420 nan 0.000 0.265 330 P C 1.020 178.326 177.300 0.010 0.000 1.187 330 P CA 0.182 63.319 63.100 0.061 0.000 0.766 330 P CB 0.986 32.705 31.700 0.031 0.000 0.820 331 V N 2.840 122.684 119.914 -0.116 0.000 2.720 331 V HA -0.245 3.876 4.120 0.001 0.000 0.256 331 V C 1.580 177.514 176.094 -0.267 0.000 1.082 331 V CA 2.050 64.095 62.300 -0.425 0.000 1.101 331 V CB -0.911 30.411 31.823 -0.835 0.000 0.693 331 V HN 0.505 nan 8.190 nan 0.000 0.479 332 E N -0.058 120.063 120.200 -0.131 0.000 2.204 332 E HA -0.196 4.154 4.350 0.001 0.000 0.194 332 E C 2.247 178.821 176.600 -0.044 0.000 0.989 332 E CA 1.070 57.426 56.400 -0.074 0.000 0.824 332 E CB -0.242 29.445 29.700 -0.021 0.000 0.756 332 E HN 0.484 nan 8.360 nan 0.000 0.477 333 R N 0.508 120.993 120.500 -0.024 0.000 2.119 333 R HA 0.006 4.347 4.340 0.001 0.000 0.222 333 R C 1.603 177.909 176.300 0.010 0.000 1.088 333 R CA 0.931 57.034 56.100 0.005 0.000 0.984 333 R CB -0.122 30.195 30.300 0.028 0.000 0.884 333 R HN 0.102 nan 8.270 nan 0.000 0.447 334 I N 0.517 121.084 120.570 -0.004 0.000 2.500 334 I HA 0.006 4.176 4.170 0.001 0.000 0.252 334 I C 2.067 178.153 176.117 -0.051 0.000 1.142 334 I CA 1.196 62.503 61.300 0.012 0.000 1.451 334 I CB -1.424 36.607 38.000 0.051 0.000 1.093 334 I HN 0.233 nan 8.210 nan 0.000 0.430 335 A N 0.555 123.316 122.820 -0.098 0.000 1.897 335 A HA -0.199 4.121 4.320 0.001 0.000 0.215 335 A C 2.381 179.943 177.584 -0.037 0.000 1.181 335 A CA 1.475 53.458 52.037 -0.089 0.000 0.620 335 A CB -0.550 18.393 19.000 -0.094 0.000 0.821 335 A HN 0.460 nan 8.150 nan 0.000 0.443 336 E N -0.735 119.453 120.200 -0.020 0.000 2.051 336 E HA -0.199 4.151 4.350 0.001 0.000 0.192 336 E C 1.954 178.557 176.600 0.006 0.000 0.991 336 E CA 1.480 57.880 56.400 -0.001 0.000 0.799 336 E CB -0.177 29.526 29.700 0.006 0.000 0.748 336 E HN 0.437 nan 8.360 nan 0.000 0.449 337 M N 0.605 120.213 119.600 0.012 0.000 2.117 337 M HA -0.103 4.377 4.480 0.001 0.000 0.262 337 M C 2.517 178.831 176.300 0.024 0.000 1.065 337 M CA 1.999 57.314 55.300 0.025 0.000 1.114 337 M CB -1.345 31.280 32.600 0.041 0.000 1.361 337 M HN 0.252 nan 8.290 nan 0.000 0.408 338 T N -3.460 111.101 114.554 0.011 0.000 3.057 338 T HA 0.137 4.487 4.350 0.001 0.000 0.254 338 T C 0.966 175.661 174.700 -0.008 0.000 1.094 338 T CA 0.281 62.383 62.100 0.004 0.000 1.088 338 T CB 0.154 69.008 68.868 -0.022 0.000 0.934 338 T HN 0.391 nan 8.240 nan 0.000 0.497 339 K N -0.209 120.185 120.400 -0.011 0.000 3.379 339 K HA -0.098 4.222 4.320 0.001 0.000 0.300 339 K C -0.712 175.876 176.600 -0.020 0.000 1.302 339 K CA 0.234 56.515 56.287 -0.010 0.000 0.877 339 K CB -2.015 30.484 32.500 -0.002 0.000 1.343 339 K HN 0.372 nan 8.250 nan 0.000 0.488 340 V N 1.063 120.955 119.914 -0.037 0.000 2.472 340 V HA 0.254 4.374 4.120 0.001 0.000 0.290 340 V C 0.666 176.735 176.094 -0.042 0.000 1.037 340 V CA -0.560 61.712 62.300 -0.046 0.000 0.908 340 V CB 1.768 33.546 31.823 -0.076 0.000 0.985 340 V HN 0.269 nan 8.190 nan 0.000 0.454 341 S N 3.388 119.080 115.700 -0.014 0.000 2.549 341 S HA 0.234 4.705 4.470 0.001 0.000 0.286 341 S C 1.456 176.066 174.600 0.017 0.000 1.314 341 S CA 0.107 58.328 58.200 0.035 0.000 1.062 341 S CB 1.063 64.307 63.200 0.073 0.000 0.865 341 S HN 1.034 nan 8.310 nan 0.000 0.498 342 A N 5.079 127.907 122.820 0.014 0.000 1.978 342 A HA -0.055 4.266 4.320 0.001 0.000 0.220 342 A C 1.613 179.169 177.584 -0.047 0.000 1.170 342 A CA 1.517 53.493 52.037 -0.101 0.000 0.636 342 A CB -0.938 17.991 19.000 -0.117 0.000 0.810 342 A HN 0.965 nan 8.150 nan 0.000 0.448 343 Y N -0.392 119.892 120.300 -0.026 0.000 2.181 343 Y HA -0.199 4.351 4.550 0.001 0.000 0.288 343 Y C 2.518 178.390 175.900 -0.046 0.000 1.146 343 Y CA 1.928 60.035 58.100 0.012 0.000 1.164 343 Y CB -0.201 38.272 38.460 0.022 0.000 0.982 343 Y HN 0.533 nan 8.280 nan 0.000 0.515 344 E N 0.062 120.328 120.200 0.110 0.000 2.076 344 E HA -0.135 4.216 4.350 0.001 0.000 0.190 344 E C 2.097 178.691 176.600 -0.011 0.000 0.979 344 E CA 0.609 57.024 56.400 0.025 0.000 0.807 344 E CB -0.215 29.487 29.700 0.004 0.000 0.761 344 E HN 0.409 nan 8.360 nan 0.000 0.454 345 L N 1.391 122.567 121.223 -0.078 0.000 1.990 345 L HA -0.232 4.108 4.340 0.001 0.000 0.213 345 L C 2.770 179.631 176.870 -0.016 0.000 1.072 345 L CA 1.776 56.525 54.840 -0.153 0.000 0.755 345 L CB -0.679 41.081 42.059 -0.497 0.000 0.889 345 L HN 0.407 nan 8.230 nan 0.000 0.432 346 I N -4.166 116.361 120.570 -0.070 0.000 2.546 346 I HA -0.130 4.041 4.170 0.001 0.000 0.255 346 I C 2.046 178.194 176.117 0.052 0.000 1.163 346 I CA 1.286 62.628 61.300 0.070 0.000 1.457 346 I CB -0.514 37.498 38.000 0.021 0.000 1.092 346 I HN 0.096 nan 8.210 nan 0.000 0.434 347 T N 0.209 114.775 114.554 0.021 0.000 2.983 347 T HA 0.080 4.430 4.350 0.001 0.000 0.250 347 T C 1.428 176.130 174.700 0.004 0.000 1.037 347 T CA 0.262 62.352 62.100 -0.015 0.000 1.142 347 T CB -0.128 68.687 68.868 -0.089 0.000 0.876 347 T HN 0.225 nan 8.240 nan 0.000 0.455 348 R N 1.977 122.490 120.500 0.021 0.000 4.556 348 R HA 0.268 4.609 4.340 0.001 0.000 0.197 348 R C -0.887 175.447 176.300 0.056 0.000 1.791 348 R CA -0.030 56.087 56.100 0.028 0.000 1.526 348 R CB -0.935 29.377 30.300 0.020 0.000 1.410 348 R HN 0.372 nan 8.270 nan 0.000 0.826 349 L N 0.411 121.665 121.223 0.051 0.000 2.334 349 L HA 0.416 4.756 4.340 0.001 0.000 0.272 349 L C 0.915 177.807 176.870 0.036 0.000 1.020 349 L CA -0.873 53.999 54.840 0.055 0.000 0.812 349 L CB 1.905 43.990 42.059 0.043 0.000 1.264 349 L HN 0.249 nan 8.230 nan 0.000 0.439 350 T N -2.963 111.612 114.554 0.035 0.000 2.862 350 T HA 0.148 4.499 4.350 0.001 0.000 0.276 350 T C 1.031 175.739 174.700 0.014 0.000 0.974 350 T CA -0.155 61.961 62.100 0.028 0.000 0.966 350 T CB 1.388 70.276 68.868 0.034 0.000 1.072 350 T HN 0.661 nan 8.240 nan 0.000 0.538 351 S N -0.670 115.039 115.700 0.014 0.000 2.603 351 S HA -0.033 4.437 4.470 0.001 0.000 0.229 351 S C 1.749 176.350 174.600 0.002 0.000 0.972 351 S CA 0.040 58.247 58.200 0.010 0.000 0.935 351 S CB -0.576 62.632 63.200 0.014 0.000 0.769 351 S HN 0.778 nan 8.310 nan 0.000 0.536 352 R N 1.022 121.521 120.500 -0.002 0.000 2.193 352 R HA 0.135 4.475 4.340 0.001 0.000 0.213 352 R C -0.242 176.044 176.300 -0.025 0.000 1.055 352 R CA 0.336 56.428 56.100 -0.013 0.000 0.995 352 R CB -0.061 30.229 30.300 -0.016 0.000 0.893 352 R HN 0.343 nan 8.270 nan 0.000 0.459 353 V N 2.506 122.403 119.914 -0.027 0.000 2.470 353 V HA 0.207 4.328 4.120 0.001 0.000 0.276 353 V C 0.566 176.634 176.094 -0.043 0.000 1.040 353 V CA -0.345 61.926 62.300 -0.047 0.000 1.008 353 V CB 0.874 32.663 31.823 -0.057 0.000 0.990 353 V HN 0.319 nan 8.190 nan 0.000 0.477 354 A N 7.646 130.435 122.820 -0.052 0.000 2.366 354 A HA 0.680 5.000 4.320 0.001 0.000 0.249 354 A C -0.044 177.501 177.584 -0.065 0.000 1.084 354 A CA -0.287 51.724 52.037 -0.043 0.000 0.794 354 A CB 0.280 19.254 19.000 -0.043 0.000 1.034 354 A HN 0.719 nan 8.150 nan 0.000 0.491 355 M N 1.413 120.985 119.600 -0.047 0.000 2.243 355 M HA 0.454 4.934 4.480 0.001 0.000 0.324 355 M C -0.684 175.527 176.300 -0.147 0.000 1.031 355 M CA -0.747 54.485 55.300 -0.113 0.000 0.949 355 M CB 1.488 34.086 32.600 -0.004 0.000 1.615 355 M HN 0.597 nan 8.290 nan 0.000 0.430 356 K N 2.294 122.506 120.400 -0.314 0.000 2.316 356 K HA 0.674 4.994 4.320 0.001 0.000 0.251 356 K C -1.885 174.426 176.600 -0.481 0.000 0.934 356 K CA -0.343 55.809 56.287 -0.225 0.000 0.802 356 K CB 1.561 33.978 32.500 -0.137 0.000 1.171 356 K HN 0.450 nan 8.250 nan 0.000 0.426 357 Y N 1.496 121.814 120.300 0.030 0.000 2.361 357 Y HA 0.460 5.011 4.550 0.001 0.000 0.337 357 Y C -0.368 175.553 175.900 0.035 0.000 0.965 357 Y CA -1.051 57.074 58.100 0.042 0.000 1.091 357 Y CB 1.830 40.317 38.460 0.044 0.000 1.182 357 Y HN 0.248 nan 8.280 nan 0.000 0.450 358 V N -0.168 119.829 119.914 0.138 0.000 2.769 358 V HA 0.769 4.890 4.120 0.001 0.000 0.312 358 V C -0.690 175.464 176.094 0.101 0.000 1.061 358 V CA -0.944 61.413 62.300 0.095 0.000 0.931 358 V CB 1.791 33.644 31.823 0.050 0.000 1.010 358 V HN 0.856 nan 8.190 nan 0.000 0.433 359 D N 0.000 120.446 120.400 0.077 0.000 6.856 359 D HA 0.000 4.640 4.640 0.001 0.000 0.175 359 D CA 0.000 54.039 54.000 0.066 0.000 0.868 359 D CB 0.000 40.837 40.800 0.061 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683