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 3b8t_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 GIILYGVSAL EDRSTGADFG 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 55.282 55.300 -0.030 0.000 0.988 1 M CB 0.000 32.580 32.600 -0.034 0.000 1.302 2 Q N 1.449 121.224 119.800 -0.042 0.000 2.245 2 Q HA 0.850 5.190 4.340 0.001 0.000 0.256 2 Q C -1.166 174.798 176.000 -0.060 0.000 0.942 2 Q CA 0.227 56.001 55.803 -0.049 0.000 0.896 2 Q CB 1.991 30.698 28.738 -0.052 0.000 1.272 2 Q HN 0.706 nan 8.270 nan 0.000 0.442 3 A N 2.333 125.114 122.820 -0.064 0.000 3.837 3 A HA 0.886 5.206 4.320 0.001 0.000 0.167 3 A C -0.847 176.683 177.584 -0.090 0.000 0.997 3 A CA -0.297 51.695 52.037 -0.075 0.000 0.865 3 A CB -0.262 18.698 19.000 -0.065 0.000 1.484 3 A HN 0.892 nan 8.150 nan 0.000 0.688 4 A N 0.262 123.025 122.820 -0.095 0.000 2.553 4 A HA 0.483 4.804 4.320 0.001 0.000 0.258 4 A C 0.086 177.606 177.584 -0.106 0.000 1.069 4 A CA 1.166 53.137 52.037 -0.111 0.000 0.767 4 A CB -1.160 17.783 19.000 -0.096 0.000 0.997 4 A HN 0.777 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 -0.816 173.786 174.700 -0.164 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 -0.108 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 -0.164 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 -0.186 0.000 0.857 6 V CB 1.631 33.347 31.823 -0.177 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 -0.088 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 0.235 176.397 176.117 0.075 0.000 0.994 8 I CA -0.439 60.834 61.300 -0.045 0.000 1.191 8 I CB 1.336 39.254 38.000 -0.137 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 0.123 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 0.147 0.000 1.078 9 N CA -0.100 53.020 53.050 0.117 0.000 0.942 9 N CB 0.810 39.352 38.487 0.092 0.000 1.140 9 N HN 0.447 nan 8.380 nan 0.000 0.501 10 R N 2.357 122.953 120.500 0.159 0.000 2.148 10 R HA -0.050 4.291 4.340 0.001 0.000 0.227 10 R C 1.834 178.197 176.300 0.105 0.000 1.103 10 R CA 0.747 56.937 56.100 0.150 0.000 0.983 10 R CB 0.135 30.521 30.300 0.144 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 0.090 0.000 2.075 11 R HA -0.059 4.281 4.340 0.001 0.000 0.232 11 R C 2.094 178.447 176.300 0.088 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 0.056 0.000 0.858 11 R HN 0.215 nan 8.270 nan 0.000 0.435 12 A N 0.900 123.769 122.820 0.081 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 0.106 0.000 1.169 12 A CA 0.733 52.821 52.037 0.085 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 -0.016 121.256 121.223 0.083 0.000 1.994 13 L HA -0.103 4.238 4.340 0.001 0.000 0.208 13 L C 2.490 179.369 176.870 0.015 0.000 1.071 13 L CA 1.845 56.703 54.840 0.030 0.000 0.745 13 L CB -0.785 41.309 42.059 0.059 0.000 0.892 13 L HN 0.349 nan 8.230 nan 0.000 0.431 14 R N -1.649 118.880 120.500 0.047 0.000 2.103 14 R HA -0.261 4.080 4.340 0.001 0.000 0.242 14 R C 2.296 178.612 176.300 0.028 0.000 1.142 14 R CA 1.752 57.872 56.100 0.034 0.000 0.960 14 R CB -0.720 29.610 30.300 0.050 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 -0.013 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 -0.028 0.000 1.097 15 H CA 2.025 58.065 56.048 -0.013 0.000 1.311 15 H CB -0.017 29.744 29.762 -0.000 0.000 1.377 15 H HN 0.132 nan 8.280 nan 0.000 0.504 16 N N 0.466 119.167 118.700 0.002 0.000 2.188 16 N HA -0.136 4.604 4.740 0.001 0.000 0.184 16 N C 2.157 177.578 175.510 -0.148 0.000 1.018 16 N CA 1.007 54.014 53.050 -0.071 0.000 0.858 16 N CB -0.397 38.066 38.487 -0.039 0.000 0.989 16 N HN 0.405 nan 8.380 nan 0.000 0.426 17 L N 0.692 121.833 121.223 -0.136 0.000 2.027 17 L HA -0.209 4.131 4.340 0.001 0.000 0.206 17 L C 2.370 179.152 176.870 -0.146 0.000 1.074 17 L CA 1.501 56.257 54.840 -0.141 0.000 0.745 17 L CB -0.153 41.839 42.059 -0.112 0.000 0.898 17 L HN 0.128 nan 8.230 nan 0.000 0.433 18 Q N 0.270 119.978 119.800 -0.154 0.000 2.050 18 Q HA -0.271 4.069 4.340 0.001 0.000 0.202 18 Q C 2.172 178.059 176.000 -0.189 0.000 0.980 18 Q CA 1.851 57.559 55.803 -0.158 0.000 0.840 18 Q CB -0.238 28.408 28.738 -0.153 0.000 0.898 18 Q HN 0.212 nan 8.270 nan 0.000 0.424 19 R N -0.181 120.153 120.500 -0.277 0.000 2.105 19 R HA -0.061 4.279 4.340 0.001 0.000 0.239 19 R C 1.932 178.150 176.300 -0.137 0.000 1.135 19 R CA 1.497 57.453 56.100 -0.240 0.000 0.967 19 R CB -0.660 29.454 30.300 -0.310 0.000 0.861 19 R HN 0.442 nan 8.270 nan 0.000 0.442 20 L N -0.205 120.934 121.223 -0.140 0.000 2.217 20 L HA -0.001 4.339 4.340 0.001 0.000 0.211 20 L C 2.310 179.100 176.870 -0.133 0.000 1.107 20 L CA 1.050 55.814 54.840 -0.128 0.000 0.783 20 L CB -0.237 41.736 42.059 -0.144 0.000 0.919 20 L HN 0.161 nan 8.230 nan 0.000 0.442 21 R N -0.039 120.383 120.500 -0.130 0.000 2.148 21 R HA -0.109 4.232 4.340 0.001 0.000 0.223 21 R C 1.828 178.072 176.300 -0.094 0.000 1.088 21 R CA 0.892 56.920 56.100 -0.120 0.000 0.985 21 R CB -0.134 30.098 30.300 -0.114 0.000 0.880 21 R HN 0.474 nan 8.270 nan 0.000 0.451 22 E N 0.625 120.775 120.200 -0.083 0.000 2.216 22 E HA -0.054 4.296 4.350 0.001 0.000 0.192 22 E C 1.827 178.410 176.600 -0.028 0.000 0.988 22 E CA 0.643 57.012 56.400 -0.053 0.000 0.834 22 E CB 0.147 29.815 29.700 -0.052 0.000 0.772 22 E HN 0.285 nan 8.360 nan 0.000 0.479 23 L N -0.151 121.050 121.223 -0.036 0.000 2.270 23 L HA 0.103 4.444 4.340 0.001 0.000 0.210 23 L C 1.232 178.110 176.870 0.013 0.000 1.104 23 L CA 0.274 55.116 54.840 0.004 0.000 0.804 23 L CB 0.232 42.290 42.059 -0.002 0.000 0.937 23 L HN -0.031 nan 8.230 nan 0.000 0.450 24 A N -0.082 122.669 122.820 -0.114 0.000 3.248 24 A HA 0.362 4.683 4.320 0.001 0.000 0.315 24 A C -1.645 175.881 177.584 -0.097 0.000 0.974 24 A CA -0.903 51.003 52.037 -0.218 0.000 0.939 24 A CB -0.176 18.491 19.000 -0.555 0.000 1.061 24 A HN -0.037 nan 8.150 nan 0.000 0.481 25 P HA -0.141 nan 4.420 nan 0.000 0.221 25 P C 0.890 178.170 177.300 -0.034 0.000 1.145 25 P CA 1.750 64.831 63.100 -0.032 0.000 0.795 25 P CB 0.308 32.003 31.700 -0.009 0.000 0.775 26 A N -1.147 121.669 122.820 -0.007 0.000 2.500 26 A HA 0.381 4.702 4.320 0.001 0.000 0.267 26 A C 0.517 178.079 177.584 -0.036 0.000 1.290 26 A CA -0.058 51.973 52.037 -0.010 0.000 0.928 26 A CB 0.039 19.057 19.000 0.030 0.000 1.066 26 A HN 0.082 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 0.953 121.015 120.400 -0.563 0.000 2.138 28 K HA 0.402 4.723 4.320 0.001 0.000 0.251 28 K C -0.671 175.669 176.600 -0.433 0.000 1.015 28 K CA -0.504 55.324 56.287 -0.764 0.000 0.917 28 K CB 0.351 31.810 32.500 -1.735 0.000 1.021 28 K HN 0.356 nan 8.250 nan 0.000 0.485 29 M N 1.572 121.005 119.600 -0.278 0.000 2.205 29 M HA 0.180 4.660 4.480 0.001 0.000 0.344 29 M C -1.362 174.987 176.300 0.082 0.000 1.085 29 M CA -0.499 54.755 55.300 -0.078 0.000 1.001 29 M CB 1.727 34.243 32.600 -0.140 0.000 1.626 29 M HN 0.184 nan 8.290 nan 0.000 0.442 30 V N 4.688 124.674 119.914 0.119 0.000 2.277 30 V HA 0.555 4.676 4.120 0.001 0.000 0.269 30 V C 0.139 176.208 176.094 -0.040 0.000 1.036 30 V CA -1.058 61.277 62.300 0.057 0.000 0.821 30 V CB 0.490 32.327 31.823 0.022 0.000 1.052 30 V HN 0.937 nan 8.190 nan 0.000 0.462 31 A N 5.222 127.974 122.820 -0.113 0.000 2.476 31 A HA 0.443 4.764 4.320 0.001 0.000 0.275 31 A C 0.100 177.734 177.584 0.082 0.000 1.133 31 A CA -0.043 51.961 52.037 -0.056 0.000 0.797 31 A CB 0.010 18.975 19.000 -0.058 0.000 1.081 31 A HN 0.632 nan 8.150 nan 0.000 0.510 32 V N 4.658 124.596 119.914 0.039 0.000 2.405 32 V HA 0.198 4.318 4.120 0.001 0.000 0.264 32 V C 0.940 177.159 176.094 0.209 0.000 1.048 32 V CA 0.460 62.831 62.300 0.118 0.000 0.966 32 V CB 0.911 32.802 31.823 0.113 0.000 1.015 32 V HN 0.962 nan 8.190 nan 0.000 0.477 33 V N 2.487 122.559 119.914 0.263 0.000 2.988 33 V HA 0.312 4.433 4.120 0.001 0.000 0.356 33 V C 0.668 176.917 176.094 0.259 0.000 1.380 33 V CA -0.656 61.821 62.300 0.296 0.000 1.184 33 V CB -0.519 31.425 31.823 0.200 0.000 1.204 33 V HN 0.836 nan 8.190 nan 0.000 0.530 34 K N 0.959 121.526 120.400 0.279 0.000 2.230 34 K HA 0.635 4.955 4.320 0.001 0.000 0.253 34 K C 0.668 177.354 176.600 0.142 0.000 1.008 34 K CA 0.278 56.665 56.287 0.166 0.000 0.910 34 K CB 0.650 33.226 32.500 0.126 0.000 0.994 34 K HN 1.287 nan 8.250 nan 0.000 0.495 35 A N 1.587 124.439 122.820 0.054 0.000 2.667 35 A HA -0.232 4.089 4.320 0.001 0.000 0.298 35 A C 0.347 177.960 177.584 0.049 0.000 1.483 35 A CA 1.014 53.058 52.037 0.012 0.000 0.738 35 A CB -2.466 16.484 19.000 -0.083 0.000 1.067 35 A HN 1.087 nan 8.150 nan 0.000 0.451 36 N N -2.255 116.487 118.700 0.070 0.000 2.740 36 N HA 0.049 4.789 4.740 0.001 0.000 0.248 36 N C 0.502 176.095 175.510 0.139 0.000 1.062 36 N CA 2.410 55.511 53.050 0.086 0.000 0.704 36 N CB -1.558 36.968 38.487 0.064 0.000 0.968 36 N HN 2.411 nan 8.380 nan 0.000 0.547 37 A N -0.261 122.674 122.820 0.191 0.000 2.687 37 A HA -0.215 4.105 4.320 0.001 0.000 0.299 37 A C 0.685 178.386 177.584 0.195 0.000 1.497 37 A CA 1.370 53.568 52.037 0.268 0.000 0.751 37 A CB -2.376 16.781 19.000 0.263 0.000 1.048 37 A HN 1.350 nan 8.150 nan 0.000 0.464 38 Y N -3.164 117.089 120.300 -0.079 0.000 3.929 38 Y HA -0.125 4.425 4.550 0.001 0.000 0.225 38 Y C 1.987 177.865 175.900 -0.036 0.000 1.200 38 Y CA 1.967 59.993 58.100 -0.123 0.000 1.791 38 Y CB -1.695 36.501 38.460 -0.440 0.000 1.561 38 Y HN 2.413 nan 8.280 nan 0.000 0.657 39 G N -1.728 107.126 108.800 0.090 0.000 2.176 39 G HA2 -0.385 3.576 3.960 0.001 0.000 0.253 39 G HA3 -0.385 3.576 3.960 0.001 0.000 0.253 39 G C 0.489 175.334 174.900 -0.092 0.000 0.979 39 G CA 0.541 45.631 45.100 -0.017 0.000 0.641 39 G HN 0.631 nan 8.290 nan 0.000 0.530 40 H N 0.083 119.148 119.070 -0.007 0.000 2.592 40 H HA 0.475 5.031 4.556 0.001 0.000 0.265 40 H C 1.507 176.942 175.328 0.178 0.000 0.955 40 H CA 1.215 57.302 56.048 0.066 0.000 1.175 40 H CB 0.820 30.634 29.762 0.087 0.000 1.433 40 H HN 1.471 nan 8.280 nan 0.000 0.537 41 G N 0.632 109.585 108.800 0.254 0.000 3.373 41 G HA2 -0.169 3.791 3.960 0.001 0.000 0.685 41 G HA3 -0.169 3.791 3.960 0.001 0.000 0.685 41 G C 0.337 175.338 174.900 0.169 0.000 1.166 41 G CA -0.100 45.139 45.100 0.232 0.000 1.063 41 G HN 0.254 nan 8.290 nan 0.000 0.481 42 L N 2.930 124.214 121.223 0.101 0.000 1.963 42 L HA -0.041 4.300 4.340 0.001 0.000 0.220 42 L C 2.659 179.508 176.870 -0.035 0.000 1.076 42 L CA 3.212 58.078 54.840 0.043 0.000 0.772 42 L CB -0.562 41.507 42.059 0.018 0.000 0.892 42 L HN 0.834 nan 8.230 nan 0.000 0.435 43 L N -0.663 120.532 121.223 -0.047 0.000 2.027 43 L HA -0.129 4.211 4.340 0.001 0.000 0.206 43 L C 2.485 179.280 176.870 -0.125 0.000 1.074 43 L CA 1.618 56.397 54.840 -0.102 0.000 0.745 43 L CB -0.853 41.162 42.059 -0.074 0.000 0.898 43 L HN 0.325 nan 8.230 nan 0.000 0.433 44 E N -0.815 119.308 120.200 -0.129 0.000 2.110 44 E HA -0.166 4.185 4.350 0.001 0.000 0.193 44 E C 2.120 178.661 176.600 -0.098 0.000 0.988 44 E CA 1.667 57.913 56.400 -0.255 0.000 0.804 44 E CB -0.582 28.705 29.700 -0.689 0.000 0.745 44 E HN 0.489 nan 8.360 nan 0.000 0.458 45 T N 1.027 115.603 114.554 0.038 0.000 2.821 45 T HA -0.059 4.291 4.350 0.001 0.000 0.267 45 T C 1.873 176.594 174.700 0.035 0.000 1.046 45 T CA 1.266 63.436 62.100 0.116 0.000 1.139 45 T CB -0.093 68.912 68.868 0.228 0.000 0.871 45 T HN 0.267 nan 8.240 nan 0.000 0.454 46 A N 1.877 124.615 122.820 -0.137 0.000 1.897 46 A HA -0.038 4.282 4.320 0.001 0.000 0.215 46 A C 2.322 179.857 177.584 -0.081 0.000 1.181 46 A CA 0.952 52.757 52.037 -0.387 0.000 0.620 46 A CB -0.379 18.103 19.000 -0.863 0.000 0.821 46 A HN 0.362 nan 8.150 nan 0.000 0.443 47 R N -0.637 119.811 120.500 -0.087 0.000 2.237 47 R HA -0.055 4.286 4.340 0.001 0.000 0.219 47 R C 1.489 177.796 176.300 0.013 0.000 1.080 47 R CA 1.495 57.576 56.100 -0.032 0.000 0.995 47 R CB -0.480 29.775 30.300 -0.076 0.000 0.875 47 R HN 0.478 nan 8.270 nan 0.000 0.462 48 T N 0.614 115.185 114.554 0.029 0.000 3.067 48 T HA 0.135 4.485 4.350 0.001 0.000 0.261 48 T C 0.919 175.667 174.700 0.081 0.000 1.110 48 T CA 0.624 62.756 62.100 0.053 0.000 1.113 48 T CB 0.229 69.140 68.868 0.072 0.000 0.917 48 T HN 0.092 nan 8.240 nan 0.000 0.499 49 L N 2.352 123.658 121.223 0.137 0.000 2.892 49 L HA 0.262 4.603 4.340 0.001 0.000 0.251 49 L C -1.681 175.301 176.870 0.186 0.000 1.339 49 L CA -1.421 53.507 54.840 0.147 0.000 0.900 49 L CB 1.015 43.175 42.059 0.167 0.000 1.246 49 L HN -0.078 nan 8.230 nan 0.000 0.524 50 P HA -0.135 nan 4.420 nan 0.000 0.239 50 P C 0.633 177.964 177.300 0.052 0.000 1.184 50 P CA 0.938 64.109 63.100 0.119 0.000 0.760 50 P CB 0.409 32.156 31.700 0.078 0.000 0.884 51 D N -0.119 120.290 120.400 0.015 0.000 2.354 51 D HA 0.114 4.754 4.640 0.001 0.000 0.209 51 D C 0.616 176.864 176.300 -0.087 0.000 1.015 51 D CA -0.073 53.908 54.000 -0.030 0.000 0.867 51 D CB -0.181 40.600 40.800 -0.033 0.000 0.933 51 D HN -0.013 nan 8.370 nan 0.000 0.520 52 A N 0.566 123.297 122.820 -0.149 0.000 2.511 52 A HA 0.038 4.359 4.320 0.001 0.000 0.242 52 A C 1.094 178.521 177.584 -0.261 0.000 1.069 52 A CA -0.009 51.850 52.037 -0.296 0.000 0.763 52 A CB 0.270 18.887 19.000 -0.637 0.000 1.001 52 A HN 0.211 nan 8.150 nan 0.000 0.498 53 D N 0.904 121.209 120.400 -0.159 0.000 2.178 53 D HA 0.155 4.795 4.640 0.001 0.000 0.202 53 D C 0.812 177.153 176.300 0.068 0.000 0.974 53 D CA 1.994 55.992 54.000 -0.003 0.000 0.841 53 D CB 0.136 40.933 40.800 -0.005 0.000 0.953 53 D HN 0.760 nan 8.370 nan 0.000 0.478 54 A N -0.641 122.123 122.820 -0.094 0.000 2.586 54 A HA 0.581 4.901 4.320 0.001 0.000 0.290 54 A C -1.845 175.471 177.584 -0.447 0.000 1.086 54 A CA -0.718 51.220 52.037 -0.166 0.000 0.665 54 A CB 0.760 19.764 19.000 0.006 0.000 1.279 54 A HN -0.015 nan 8.150 nan 0.000 0.423 55 F N 0.008 119.958 119.950 0.000 0.000 2.520 55 F HA 0.622 5.149 4.527 0.001 0.000 0.322 55 F C 0.878 176.645 175.800 -0.055 0.000 1.103 55 F CA -0.227 57.764 58.000 -0.016 0.000 0.926 55 F CB 2.755 41.749 39.000 -0.010 0.000 1.154 55 F HN 0.802 nan 8.300 nan 0.000 0.453 56 G N 1.696 110.582 108.800 0.143 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 -1.281 173.655 174.900 0.059 0.000 1.145 56 G CA -0.743 44.379 45.100 0.037 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 -0.003 0.000 3.102 57 V HA 0.848 4.969 4.120 0.001 0.000 0.312 57 V C 0.816 176.899 176.094 -0.018 0.000 1.135 57 V CA -0.269 62.028 62.300 -0.005 0.000 1.022 57 V CB 1.392 33.176 31.823 -0.065 0.000 1.056 57 V HN 0.991 nan 8.190 nan 0.000 0.436 58 A N 1.333 124.158 122.820 0.008 0.000 1.975 58 A HA 0.443 4.763 4.320 0.001 0.000 0.215 58 A C 1.220 178.822 177.584 0.030 0.000 1.170 58 A CA 0.795 52.851 52.037 0.032 0.000 0.656 58 A CB -0.115 18.917 19.000 0.054 0.000 0.821 58 A HN 0.855 nan 8.150 nan 0.000 0.449 59 R N -2.040 118.447 120.500 -0.022 0.000 2.808 59 R HA 0.523 4.863 4.340 0.001 0.000 0.272 59 R C 0.610 176.815 176.300 -0.158 0.000 0.995 59 R CA -0.627 55.433 56.100 -0.068 0.000 0.917 59 R CB 1.130 31.471 30.300 0.069 0.000 1.217 59 R HN 0.152 nan 8.270 nan 0.000 0.471 60 L N 1.374 122.468 121.223 -0.216 0.000 2.093 60 L HA -0.120 4.221 4.340 0.001 0.000 0.208 60 L C 0.870 177.673 176.870 -0.111 0.000 1.085 60 L CA 1.730 56.458 54.840 -0.186 0.000 0.755 60 L CB -0.006 41.975 42.059 -0.130 0.000 0.904 60 L HN 0.736 nan 8.230 nan 0.000 0.435 61 E N 0.392 120.564 120.200 -0.047 0.000 2.136 61 E HA -0.304 4.046 4.350 0.001 0.000 0.202 61 E C 1.925 178.507 176.600 -0.029 0.000 1.019 61 E CA 2.061 58.456 56.400 -0.009 0.000 0.819 61 E CB -0.201 29.512 29.700 0.022 0.000 0.739 61 E HN 0.589 nan 8.360 nan 0.000 0.458 62 E N 0.109 120.274 120.200 -0.058 0.000 2.107 62 E HA -0.085 4.265 4.350 0.001 0.000 0.191 62 E C 2.115 178.646 176.600 -0.114 0.000 0.982 62 E CA 0.811 57.175 56.400 -0.062 0.000 0.809 62 E CB -0.143 29.528 29.700 -0.048 0.000 0.756 62 E HN 0.313 nan 8.360 nan 0.000 0.459 63 A N 1.354 124.035 122.820 -0.233 0.000 1.898 63 A HA -0.123 4.197 4.320 0.001 0.000 0.216 63 A C 2.199 179.687 177.584 -0.161 0.000 1.181 63 A CA 0.923 52.705 52.037 -0.427 0.000 0.620 63 A CB -0.603 17.747 19.000 -1.084 0.000 0.819 63 A HN 0.115 nan 8.150 nan 0.000 0.442 64 L N -1.279 119.936 121.223 -0.014 0.000 2.083 64 L HA -0.143 4.197 4.340 0.001 0.000 0.209 64 L C 2.777 179.709 176.870 0.103 0.000 1.083 64 L CA 1.294 56.250 54.840 0.195 0.000 0.752 64 L CB -0.359 41.792 42.059 0.153 0.000 0.899 64 L HN 0.332 nan 8.230 nan 0.000 0.433 65 R N -0.341 120.180 120.500 0.035 0.000 2.189 65 R HA -0.071 4.269 4.340 0.001 0.000 0.223 65 R C 2.207 178.509 176.300 0.003 0.000 1.092 65 R CA 0.818 56.928 56.100 0.017 0.000 0.989 65 R CB -0.046 30.254 30.300 0.001 0.000 0.876 65 R HN 0.341 nan 8.270 nan 0.000 0.457 66 L N -0.174 121.044 121.223 -0.008 0.000 2.044 66 L HA -0.113 4.228 4.340 0.001 0.000 0.205 66 L C 2.405 179.292 176.870 0.028 0.000 1.075 66 L CA 0.969 55.788 54.840 -0.034 0.000 0.747 66 L CB -0.293 41.718 42.059 -0.079 0.000 0.903 66 L HN 0.079 nan 8.230 nan 0.000 0.435 67 R N 0.287 120.856 120.500 0.115 0.000 2.096 67 R HA -0.107 4.234 4.340 0.001 0.000 0.235 67 R C 2.220 178.560 176.300 0.067 0.000 1.127 67 R CA 1.407 57.582 56.100 0.125 0.000 0.968 67 R CB -0.814 29.603 30.300 0.194 0.000 0.861 67 R HN 0.348 nan 8.270 nan 0.000 0.440 68 A N 0.342 123.196 122.820 0.057 0.000 1.969 68 A HA -0.038 4.282 4.320 0.001 0.000 0.218 68 A C 2.195 179.788 177.584 0.016 0.000 1.169 68 A CA 1.647 53.704 52.037 0.034 0.000 0.635 68 A CB -0.645 18.374 19.000 0.032 0.000 0.810 68 A HN 0.410 nan 8.150 nan 0.000 0.445 69 G N -2.184 106.619 108.800 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 1.085 175.978 174.900 -0.011 0.000 1.159 69 G CA 0.545 45.638 45.100 -0.012 0.000 0.784 69 G HN 1.634 nan 8.290 nan 0.000 0.535 70 G N -0.534 108.269 108.800 0.004 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 0.185 175.094 174.900 0.016 0.000 0.986 70 G CA -0.131 44.974 45.100 0.009 0.000 0.651 70 G HN 0.293 nan 8.290 nan 0.000 0.523 71 I N 1.402 121.978 120.570 0.010 0.000 2.618 71 I HA 0.416 4.587 4.170 0.001 0.000 0.284 71 I C 1.536 177.703 176.117 0.083 0.000 1.146 71 I CA 1.276 62.592 61.300 0.027 0.000 1.425 71 I CB 1.470 39.434 38.000 -0.060 0.000 1.383 71 I HN 0.063 nan 8.210 nan 0.000 0.562 72 T N 3.747 118.366 114.554 0.108 0.000 2.964 72 T HA 0.125 4.476 4.350 0.001 0.000 0.249 72 T C 0.832 175.601 174.700 0.115 0.000 1.000 72 T CA -0.174 61.980 62.100 0.091 0.000 0.992 72 T CB 0.113 69.014 68.868 0.055 0.000 1.087 72 T HN 0.310 nan 8.240 nan 0.000 0.489 73 K N 2.480 122.982 120.400 0.171 0.000 2.508 73 K HA 0.067 4.387 4.320 0.001 0.000 0.273 73 K C -2.723 173.973 176.600 0.159 0.000 0.964 73 K CA -0.806 55.590 56.287 0.182 0.000 0.948 73 K CB 0.005 32.692 32.500 0.311 0.000 0.917 73 K HN 0.060 nan 8.250 nan 0.000 0.512 74 P HA 0.100 nan 4.420 nan 0.000 0.275 74 P C -1.261 176.025 177.300 -0.024 0.000 1.227 74 P CA -0.327 62.714 63.100 -0.098 0.000 0.781 74 P CB 0.944 32.462 31.700 -0.304 0.000 0.906 75 V N 4.437 124.360 119.914 0.014 0.000 2.448 75 V HA 0.298 4.419 4.120 0.001 0.000 0.295 75 V C -0.218 175.845 176.094 -0.052 0.000 1.025 75 V CA -0.721 61.596 62.300 0.028 0.000 0.859 75 V CB 1.699 33.513 31.823 -0.015 0.000 0.988 75 V HN 0.346 nan 8.190 nan 0.000 0.431 76 L N 6.339 127.522 121.223 -0.066 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 -0.059 0.000 0.810 76 L CB 0.888 42.845 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 -0.034 0.000 2.385 77 L HA 0.125 4.465 4.340 0.001 0.000 0.285 77 L C 1.240 178.097 176.870 -0.022 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 -0.026 0.000 1.251 77 L HN 0.795 nan 8.230 nan 0.000 0.445 78 L N 1.988 123.182 121.223 -0.049 0.000 2.187 78 L HA -0.170 4.170 4.340 0.001 0.000 0.213 78 L C 1.563 178.446 176.870 0.022 0.000 1.100 78 L CA 1.453 56.261 54.840 -0.053 0.000 0.765 78 L CB -0.159 41.850 42.059 -0.083 0.000 0.904 78 L HN 0.667 nan 8.230 nan 0.000 0.437 79 E N -0.834 119.412 120.200 0.077 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 0.252 0.000 0.997 79 E CA 0.300 56.832 56.400 0.220 0.000 0.961 79 E CB 0.692 30.585 29.700 0.320 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 0.082 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 44.873 45.100 0.007 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 -0.159 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 -0.050 0.000 1.082 81 F CA -1.474 56.375 58.000 -0.252 0.000 0.995 81 F CB 1.013 39.951 39.000 -0.104 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 0.420 176.276 175.800 0.093 0.000 1.122 82 F CA -0.313 57.712 58.000 0.043 0.000 1.400 82 F CB -0.184 38.848 39.000 0.053 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 0.352 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 0.278 0.000 0.889 83 D CB 2.539 43.454 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 0.069 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 0.345 176.641 176.300 -0.007 0.000 1.018 85 R CA 0.836 56.948 56.100 0.021 0.000 1.036 85 R CB -0.100 30.220 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 40.970 40.800 0.020 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 -0.515 176.218 176.870 -0.229 0.000 1.080 87 L CA 1.508 56.119 54.840 -0.381 0.000 0.754 87 L CB -1.476 40.351 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 1.236 64.255 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 1.764 176.350 174.700 -0.190 0.000 1.039 89 T CA 0.910 62.936 62.100 -0.124 0.000 1.142 89 T CB -0.865 67.976 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 -0.116 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 -0.068 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 -0.374 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 -0.008 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 4.871 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 0.234 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 1.956 124.912 122.820 0.226 0.000 2.279 98 A HA 0.769 5.089 4.320 0.001 0.000 0.303 98 A C -0.848 176.835 177.584 0.164 0.000 1.108 98 A CA -0.477 51.693 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 2.182 122.196 119.914 0.166 0.000 2.488 99 V HA 0.328 4.448 4.120 0.001 0.000 0.293 99 V C -0.126 176.035 176.094 0.112 0.000 1.027 99 V CA -0.163 62.201 62.300 0.106 0.000 0.862 99 V CB 1.042 33.018 31.823 0.256 0.000 1.008 99 V HN 1.163 nan 8.190 nan 0.000 0.428 100 H N 2.026 121.127 119.070 0.051 0.000 3.046 100 H HA 0.379 4.936 4.556 0.001 0.000 0.262 100 H C 0.340 175.607 175.328 -0.102 0.000 1.044 100 H CA 0.012 56.003 56.048 -0.095 0.000 1.209 100 H CB 0.295 30.013 29.762 -0.073 0.000 1.507 100 H HN 0.606 nan 8.280 nan 0.000 0.507 101 N N -0.528 118.214 118.700 0.070 0.000 2.629 101 N HA 0.106 4.847 4.740 0.001 0.000 0.279 101 N C 0.773 176.475 175.510 0.321 0.000 1.344 101 N CA -0.628 52.544 53.050 0.203 0.000 0.789 101 N CB 1.441 40.021 38.487 0.156 0.000 1.508 101 N HN 0.004 nan 8.380 nan 0.000 0.516 102 E N 0.131 120.484 120.200 0.254 0.000 2.077 102 E HA -0.183 4.168 4.350 0.001 0.000 0.193 102 E C 0.909 177.545 176.600 0.060 0.000 0.989 102 E CA 1.731 58.226 56.400 0.159 0.000 0.800 102 E CB -0.157 29.612 29.700 0.115 0.000 0.746 102 E HN 0.674 nan 8.360 nan 0.000 0.452 103 E N 0.384 120.609 120.200 0.041 0.000 2.058 103 E HA -0.231 4.120 4.350 0.001 0.000 0.194 103 E C 2.251 178.853 176.600 0.003 0.000 0.997 103 E CA 1.860 58.271 56.400 0.018 0.000 0.801 103 E CB -0.203 29.502 29.700 0.008 0.000 0.746 103 E HN 0.406 nan 8.360 nan 0.000 0.450 104 Q N -0.205 119.531 119.800 -0.107 0.000 2.050 104 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 104 Q C 2.272 178.333 176.000 0.101 0.000 0.980 104 Q CA 1.144 56.840 55.803 -0.179 0.000 0.840 104 Q CB -0.228 28.180 28.738 -0.551 0.000 0.898 104 Q HN 0.204 nan 8.270 nan 0.000 0.424 105 L N 0.770 121.996 121.223 0.005 0.000 2.017 105 L HA -0.096 4.245 4.340 0.001 0.000 0.208 105 L C 2.176 179.004 176.870 -0.071 0.000 1.073 105 L CA 2.153 56.924 54.840 -0.115 0.000 0.745 105 L CB -0.887 40.893 42.059 -0.466 0.000 0.894 105 L HN 0.127 nan 8.230 nan 0.000 0.432 106 A N -0.566 122.230 122.820 -0.040 0.000 1.972 106 A HA -0.060 4.261 4.320 0.001 0.000 0.219 106 A C 2.436 180.032 177.584 0.020 0.000 1.169 106 A CA 1.686 53.712 52.037 -0.019 0.000 0.635 106 A CB -1.080 17.919 19.000 -0.002 0.000 0.810 106 A HN 0.593 nan 8.150 nan 0.000 0.446 107 A N -0.461 122.407 122.820 0.080 0.000 1.877 107 A HA -0.020 4.301 4.320 0.001 0.000 0.216 107 A C 1.966 179.587 177.584 0.063 0.000 1.186 107 A CA 1.613 53.720 52.037 0.115 0.000 0.620 107 A CB -0.548 18.611 19.000 0.265 0.000 0.822 107 A HN 0.380 nan 8.150 nan 0.000 0.443 108 L N 0.335 121.607 121.223 0.082 0.000 2.081 108 L HA -0.192 4.149 4.340 0.001 0.000 0.212 108 L C 2.338 179.186 176.870 -0.037 0.000 1.080 108 L CA 2.032 56.876 54.840 0.007 0.000 0.754 108 L CB -1.303 40.769 42.059 0.021 0.000 0.893 108 L HN 0.533 nan 8.230 nan 0.000 0.433 109 E N -0.590 119.586 120.200 -0.040 0.000 2.107 109 E HA -0.174 4.176 4.350 0.001 0.000 0.191 109 E C 1.422 177.997 176.600 -0.041 0.000 0.982 109 E CA 1.199 57.566 56.400 -0.053 0.000 0.809 109 E CB 0.074 29.737 29.700 -0.062 0.000 0.756 109 E HN 0.662 nan 8.360 nan 0.000 0.459 110 E N 0.425 120.608 120.200 -0.028 0.000 2.538 110 E HA 0.311 4.662 4.350 0.001 0.000 0.207 110 E C 0.316 176.900 176.600 -0.027 0.000 1.002 110 E CA -0.228 56.157 56.400 -0.024 0.000 0.952 110 E CB 0.612 30.303 29.700 -0.015 0.000 1.031 110 E HN 0.001 nan 8.360 nan 0.000 0.476 111 A N 1.838 124.637 122.820 -0.035 0.000 2.327 111 A HA 0.387 4.707 4.320 0.001 0.000 0.255 111 A C 0.311 177.864 177.584 -0.051 0.000 1.099 111 A CA -0.073 51.936 52.037 -0.047 0.000 0.801 111 A CB 0.482 19.440 19.000 -0.070 0.000 1.062 111 A HN 0.286 nan 8.150 nan 0.000 0.496 112 S N 0.282 115.949 115.700 -0.054 0.000 2.733 112 S HA 0.659 5.129 4.470 0.001 0.000 0.307 112 S C -0.803 173.759 174.600 -0.063 0.000 1.127 112 S CA -0.554 57.615 58.200 -0.052 0.000 1.097 112 S CB 0.170 63.345 63.200 -0.041 0.000 1.003 112 S HN 0.555 nan 8.310 nan 0.000 0.477 113 L N 2.131 123.311 121.223 -0.071 0.000 2.354 113 L HA 0.556 4.896 4.340 0.001 0.000 0.269 113 L C 0.222 177.047 176.870 -0.075 0.000 1.005 113 L CA -1.042 53.747 54.840 -0.084 0.000 0.819 113 L CB 1.523 43.519 42.059 -0.106 0.000 1.311 113 L HN 0.453 nan 8.230 nan 0.000 0.423 114 D N 0.488 120.841 120.400 -0.078 0.000 2.269 114 D HA -0.022 4.618 4.640 0.001 0.000 0.208 114 D C -0.003 176.257 176.300 -0.065 0.000 0.963 114 D CA 1.243 55.204 54.000 -0.065 0.000 0.864 114 D CB 0.445 41.207 40.800 -0.062 0.000 0.936 114 D HN 0.541 nan 8.370 nan 0.000 0.505 115 E N -0.083 120.065 120.200 -0.087 0.000 2.356 115 E HA 0.313 4.663 4.350 0.001 0.000 0.275 115 E C -2.534 174.011 176.600 -0.091 0.000 0.904 115 E CA -1.884 54.468 56.400 -0.080 0.000 0.757 115 E CB 3.104 32.748 29.700 -0.094 0.000 1.232 115 E HN -0.099 nan 8.360 nan 0.000 0.442 116 P HA 0.099 nan 4.420 nan 0.000 0.274 116 P C -0.582 176.665 177.300 -0.088 0.000 1.246 116 P CA -0.430 62.620 63.100 -0.083 0.000 0.795 116 P CB 0.835 32.490 31.700 -0.074 0.000 1.006 117 V N -2.669 117.189 119.914 -0.092 0.000 2.628 117 V HA 0.501 4.621 4.120 0.001 0.000 0.306 117 V C 0.019 176.051 176.094 -0.104 0.000 1.045 117 V CA -0.591 61.661 62.300 -0.081 0.000 0.905 117 V CB 1.173 32.954 31.823 -0.070 0.000 0.997 117 V HN 0.427 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 62.058 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 -0.569 0.000 0.984 126 G CA 0.215 45.045 45.100 -0.450 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 -0.162 0.000 1.064 127 M CA 1.766 56.942 55.300 -0.207 0.000 1.109 127 M CB -0.435 32.101 32.600 -0.107 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 -0.105 0.000 1.443 129 R CA 0.121 56.195 56.100 -0.044 0.000 1.188 129 R CB 0.830 31.104 30.300 -0.044 0.000 1.068 129 R HN 0.145 nan 8.270 nan 0.000 0.475 130 L N -0.027 121.110 121.223 -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 44.107 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 -0.228 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 4.925 125.339 120.500 -0.142 0.000 2.594 133 R HA 0.157 4.497 4.340 0.001 0.000 0.272 133 R C -1.530 174.700 176.300 -0.116 0.000 1.074 133 R CA -1.281 54.768 56.100 -0.085 0.000 1.105 133 R CB 0.148 30.433 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 1.514 64.554 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 -1.810 118.381 120.200 -0.016 0.000 2.502 135 E HA -0.085 4.266 4.350 0.001 0.000 0.194 135 E C 1.296 177.911 176.600 0.026 0.000 1.062 135 E CA 0.332 56.739 56.400 0.012 0.000 0.867 135 E CB -0.023 29.686 29.700 0.015 0.000 0.888 135 E HN 0.223 nan 8.360 nan 0.000 0.510 136 Q N -1.682 118.125 119.800 0.012 0.000 2.245 136 Q HA 0.263 4.603 4.340 0.001 0.000 0.236 136 Q C 1.452 177.503 176.000 0.084 0.000 0.842 136 Q CA 0.399 56.234 55.803 0.053 0.000 0.945 136 Q CB 0.738 29.500 28.738 0.041 0.000 1.122 136 Q HN 0.185 nan 8.270 nan 0.000 0.506 137 A N 0.555 123.370 122.820 -0.009 0.000 1.933 137 A HA -0.199 4.121 4.320 0.001 0.000 0.218 137 A C 1.948 179.707 177.584 0.291 0.000 1.175 137 A CA 1.759 53.769 52.037 -0.044 0.000 0.628 137 A CB -0.187 18.500 19.000 -0.520 0.000 0.814 137 A HN 0.251 nan 8.150 nan 0.000 0.444 138 E N 0.076 120.465 120.200 0.316 0.000 2.072 138 E HA 0.006 4.357 4.350 0.001 0.000 0.191 138 E C 2.038 178.861 176.600 0.371 0.000 0.985 138 E CA 1.375 58.010 56.400 0.391 0.000 0.801 138 E CB -0.381 29.459 29.700 0.234 0.000 0.750 138 E HN 0.476 nan 8.360 nan 0.000 0.452 139 A N -0.343 122.647 122.820 0.284 0.000 1.897 139 A HA -0.090 4.230 4.320 0.001 0.000 0.215 139 A C 2.135 179.897 177.584 0.297 0.000 1.181 139 A CA 1.136 53.321 52.037 0.248 0.000 0.620 139 A CB -0.841 18.261 19.000 0.170 0.000 0.821 139 A HN 0.411 nan 8.150 nan 0.000 0.443 140 F N -0.870 119.182 119.950 0.169 0.000 2.102 140 F HA -0.175 4.353 4.527 0.001 0.000 0.298 140 F C 2.152 178.053 175.800 0.169 0.000 1.105 140 F CA 1.908 59.990 58.000 0.136 0.000 1.239 140 F CB -0.550 38.512 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 -0.180 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 -0.141 119.467 119.800 -0.321 0.000 2.282 146 Q HA 0.294 4.634 4.340 0.001 0.000 0.206 146 Q C 0.365 176.269 176.000 -0.160 0.000 0.878 146 Q CA -0.164 55.501 55.803 -0.230 0.000 0.944 146 Q CB -0.153 28.447 28.738 -0.229 0.000 1.100 146 Q HN 0.519 nan 8.270 nan 0.000 0.509 147 C N 2.072 121.272 119.300 -0.167 0.000 2.514 147 C HA 0.202 4.663 4.460 0.001 0.000 0.392 147 C C 1.675 176.599 174.990 -0.110 0.000 1.294 147 C CA -0.466 58.476 59.018 -0.128 0.000 1.957 147 C CB 0.592 28.254 27.740 -0.129 0.000 2.541 147 C HN 0.233 nan 8.230 nan 0.000 0.569 148 K N 2.128 122.475 120.400 -0.088 0.000 2.228 148 K HA -0.004 4.317 4.320 0.001 0.000 0.202 148 K C 1.429 177.982 176.600 -0.078 0.000 1.051 148 K CA 1.137 57.378 56.287 -0.077 0.000 0.960 148 K CB -0.187 32.275 32.500 -0.063 0.000 0.743 148 K HN 0.565 nan 8.250 nan 0.000 0.458 149 N N 0.123 118.774 118.700 -0.082 0.000 2.398 149 N HA -0.011 4.729 4.740 0.001 0.000 0.188 149 N C -0.493 174.963 175.510 -0.090 0.000 1.122 149 N CA 0.164 53.163 53.050 -0.084 0.000 0.866 149 N CB 0.664 39.101 38.487 -0.084 0.000 0.970 149 N HN -0.133 nan 8.380 nan 0.000 0.462 150 V N 1.515 121.370 119.914 -0.097 0.000 2.370 150 V HA 0.246 4.367 4.120 0.001 0.000 0.283 150 V C 0.566 176.591 176.094 -0.115 0.000 1.023 150 V CA -0.940 61.296 62.300 -0.107 0.000 0.857 150 V CB 2.131 33.882 31.823 -0.121 0.000 0.985 150 V HN 0.009 nan 8.190 nan 0.000 0.443 151 R N 4.422 124.851 120.500 -0.118 0.000 2.288 151 R HA 0.193 4.533 4.340 0.001 0.000 0.330 151 R C -0.062 176.156 176.300 -0.137 0.000 1.069 151 R CA -0.502 55.529 56.100 -0.115 0.000 0.941 151 R CB 0.391 30.624 30.300 -0.113 0.000 0.998 151 R HN 0.649 nan 8.270 nan 0.000 0.452 152 Q N 4.429 124.156 119.800 -0.121 0.000 2.394 152 Q HA 0.203 4.544 4.340 0.001 0.000 0.248 152 Q C -1.742 174.190 176.000 -0.114 0.000 0.992 152 Q CA -1.279 54.448 55.803 -0.126 0.000 0.888 152 Q CB 0.485 29.159 28.738 -0.107 0.000 1.257 152 Q HN 0.609 nan 8.270 nan 0.000 0.462 153 P HA 0.239 nan 4.420 nan 0.000 0.278 153 P C -0.650 176.542 177.300 -0.179 0.000 1.266 153 P CA -0.540 62.484 63.100 -0.125 0.000 0.807 153 P CB 0.775 32.424 31.700 -0.084 0.000 1.094 154 V N 2.695 122.506 119.914 -0.171 0.000 2.508 154 V HA 0.098 4.218 4.120 0.001 0.000 0.281 154 V C 0.835 176.847 176.094 -0.136 0.000 1.041 154 V CA -0.332 61.857 62.300 -0.185 0.000 1.016 154 V CB -0.152 31.501 31.823 -0.283 0.000 0.984 154 V HN 0.524 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 0.368 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 5.103 125.365 119.914 0.580 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 0.268 0.000 1.073 157 V CA 0.025 62.570 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 2.591 118.328 115.700 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 -0.172 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 -0.311 0.000 2.894 159 H HA 0.577 5.134 4.556 0.001 0.000 0.367 159 H C -1.499 173.661 175.328 -0.281 0.000 1.144 159 H CA -0.579 55.271 56.048 -0.329 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 40.152 39.000 -0.400 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 -0.098 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 -0.085 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 56.507 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 1.238 123.954 122.820 -0.174 0.000 2.066 163 A HA -0.146 4.174 4.320 0.001 0.000 0.218 163 A C 1.457 179.140 177.584 0.164 0.000 1.157 163 A CA 1.339 53.259 52.037 -0.196 0.000 0.670 163 A CB -0.084 18.778 19.000 -0.230 0.000 0.804 163 A HN 0.435 nan 8.150 nan 0.000 0.453 164 D N -0.086 120.371 120.400 0.096 0.000 2.336 164 D HA -0.018 4.622 4.640 0.001 0.000 0.229 164 D C -0.062 176.301 176.300 0.105 0.000 1.061 164 D CA 0.266 54.338 54.000 0.119 0.000 0.875 164 D CB -0.256 40.600 40.800 0.093 0.000 0.904 164 D HN 0.540 nan 8.370 nan 0.000 0.525 165 E N 1.284 121.550 120.200 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 0.735 178.122 177.300 0.145 0.000 1.144 166 P CA 1.116 64.348 63.100 0.220 0.000 0.800 166 P CB 0.320 31.992 31.700 -0.046 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 0.054 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 -0.051 4.270 4.320 0.001 0.000 0.216 170 A C 2.520 179.967 177.584 -0.229 0.000 1.190 170 A CA 2.296 54.259 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 0.288 nan 8.150 nan 0.000 0.443 171 T N 0.104 114.381 114.554 -0.462 0.000 2.746 171 T HA -0.127 4.223 4.350 0.001 0.000 0.267 171 T C 1.772 176.132 174.700 -0.568 0.000 1.039 171 T CA 1.855 63.426 62.100 -0.881 0.000 1.142 171 T CB -0.312 67.403 68.868 -1.922 0.000 0.866 171 T HN 0.606 nan 8.240 nan 0.000 0.444 172 E N 1.050 121.040 120.200 -0.349 0.000 2.153 172 E HA -0.055 4.296 4.350 0.001 0.000 0.194 172 E C 2.226 178.810 176.600 -0.026 0.000 0.988 172 E CA 0.929 57.268 56.400 -0.101 0.000 0.811 172 E CB -0.112 29.601 29.700 0.021 0.000 0.746 172 E HN 0.448 nan 8.360 nan 0.000 0.466 173 K N 0.359 120.735 120.400 -0.040 0.000 2.057 173 K HA -0.099 4.221 4.320 0.001 0.000 0.206 173 K C 2.221 178.844 176.600 0.039 0.000 1.050 173 K CA 1.121 57.412 56.287 0.007 0.000 0.935 173 K CB -0.047 32.451 32.500 -0.004 0.000 0.715 173 K HN 0.161 nan 8.250 nan 0.000 0.439 174 Q N 0.389 120.209 119.800 0.033 0.000 2.079 174 Q HA -0.126 4.214 4.340 0.001 0.000 0.200 174 Q C 2.043 178.165 176.000 0.202 0.000 0.974 174 Q CA 0.834 56.702 55.803 0.108 0.000 0.840 174 Q CB -0.058 28.784 28.738 0.174 0.000 0.898 174 Q HN 0.133 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 0.302 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 0.130 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 0.071 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 0.047 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 55.107 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 0.045 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 1.221 121.481 120.400 -0.234 0.000 2.138 185 K HA 0.538 4.858 4.320 0.001 0.000 0.263 185 K C -1.648 174.876 176.600 -0.126 0.000 0.965 185 K CA -1.483 54.669 56.287 -0.226 0.000 0.868 185 K CB 2.061 34.287 32.500 -0.456 0.000 1.083 185 K HN 0.164 nan 8.250 nan 0.000 0.443 186 P HA 0.289 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 -0.244 62.835 63.100 -0.035 0.000 0.743 186 P CB 0.315 32.004 31.700 -0.019 0.000 1.364 187 G N -0.642 108.131 108.800 -0.046 0.000 2.767 187 G HA2 -0.094 3.866 3.960 0.001 0.000 0.686 187 G HA3 -0.094 3.866 3.960 0.001 0.000 0.686 187 G C -0.510 174.345 174.900 -0.075 0.000 1.213 187 G CA -0.770 44.273 45.100 -0.096 0.000 0.803 187 G HN 0.610 nan 8.290 nan 0.000 0.603 188 Q N 0.799 120.524 119.800 -0.126 0.000 2.432 188 Q HA 0.314 4.654 4.340 0.001 0.000 0.264 188 Q C 0.940 177.023 176.000 0.138 0.000 1.035 188 Q CA 0.482 56.318 55.803 0.055 0.000 0.908 188 Q CB 0.686 29.469 28.738 0.074 0.000 1.280 188 Q HN 0.640 nan 8.270 nan 0.000 0.455 189 R N 0.317 121.050 120.500 0.388 0.000 2.599 189 R HA 0.580 4.921 4.340 0.001 0.000 0.295 189 R C -0.727 175.959 176.300 0.643 0.000 0.963 189 R CA -0.482 55.888 56.100 0.449 0.000 0.883 189 R CB 1.976 32.340 30.300 0.108 0.000 1.171 189 R HN 0.522 nan 8.270 nan 0.000 0.450 190 S N 2.687 118.760 115.700 0.623 0.000 2.603 190 S HA 0.425 4.896 4.470 0.001 0.000 0.274 190 S C -0.532 174.055 174.600 -0.021 0.000 1.168 190 S CA -0.577 57.818 58.200 0.325 0.000 0.963 190 S CB 1.136 64.409 63.200 0.122 0.000 1.078 190 S HN 0.782 nan 8.310 nan 0.000 0.477 191 I N 3.346 123.806 120.570 -0.183 0.000 4.983 191 I HA 0.498 4.668 4.170 0.001 0.000 0.346 191 I C 0.337 176.152 176.117 -0.503 0.000 1.261 191 I CA -0.027 60.935 61.300 -0.564 0.000 1.406 191 I CB 0.396 37.702 38.000 -1.158 0.000 1.529 191 I HN 0.685 nan 8.210 nan 0.000 0.524 192 A N 1.639 124.371 122.820 -0.147 0.000 2.301 192 A HA 0.809 5.129 4.320 0.001 0.000 0.298 192 A C 0.134 177.767 177.584 0.082 0.000 1.185 192 A CA 0.315 52.372 52.037 0.034 0.000 0.830 192 A CB 0.612 19.741 19.000 0.216 0.000 1.112 192 A HN 0.380 nan 8.150 nan 0.000 0.508 193 A N 1.555 124.464 122.820 0.149 0.000 3.521 193 A HA 0.680 5.001 4.320 0.001 0.000 0.181 193 A C 1.563 179.223 177.584 0.128 0.000 1.386 193 A CA 0.488 52.623 52.037 0.163 0.000 0.873 193 A CB -0.466 18.726 19.000 0.319 0.000 1.634 193 A HN 0.814 nan 8.150 nan 0.000 0.551 194 S N -0.347 115.424 115.700 0.117 0.000 2.359 194 S HA -0.153 4.318 4.470 0.001 0.000 0.223 194 S C 1.984 176.609 174.600 0.042 0.000 1.039 194 S CA 2.081 60.306 58.200 0.043 0.000 1.042 194 S CB -0.793 62.432 63.200 0.043 0.000 0.915 194 S HN 1.009 nan 8.310 nan 0.000 0.439 195 G N 0.978 109.849 108.800 0.118 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 1.486 176.548 174.900 0.270 0.000 1.186 195 G CA 0.976 46.165 45.100 0.148 0.000 0.779 195 G HN 0.582 nan 8.290 nan 0.000 0.543 196 G N 0.866 109.871 108.800 0.341 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 1.772 176.925 174.900 0.422 0.000 1.141 196 G CA 0.837 46.224 45.100 0.478 0.000 0.763 196 G HN 0.459 nan 8.290 nan 0.000 0.554 197 I N 0.097 120.819 120.570 0.253 0.000 2.202 197 I HA -0.115 4.056 4.170 0.001 0.000 0.242 197 I C 2.644 178.881 176.117 0.200 0.000 1.091 197 I CA 0.847 62.244 61.300 0.161 0.000 1.368 197 I CB -0.168 37.804 38.000 -0.047 0.000 1.058 197 I HN 0.138 nan 8.210 nan 0.000 0.410 198 L N -0.223 121.026 121.223 0.043 0.000 2.131 198 L HA -0.080 4.261 4.340 0.001 0.000 0.206 198 L C 2.137 179.004 176.870 -0.005 0.000 1.087 198 L CA 0.972 55.778 54.840 -0.057 0.000 0.767 198 L CB -0.233 41.579 42.059 -0.411 0.000 0.917 198 L HN 0.229 nan 8.230 nan 0.000 0.441 199 L N -2.584 118.633 121.223 -0.009 0.000 2.556 199 L HA 0.079 4.420 4.340 0.001 0.000 0.226 199 L C -0.255 176.262 176.870 -0.589 0.000 1.089 199 L CA -0.029 54.642 54.840 -0.281 0.000 0.864 199 L CB 0.186 42.033 42.059 -0.354 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 -0.041 0.000 2.483 200 W HA 0.374 5.034 4.660 -0.000 0.000 0.291 200 W C -1.962 174.431 176.519 -0.210 0.000 0.997 200 W CA -1.669 55.615 57.345 -0.102 0.000 1.591 200 W CB 0.275 29.666 29.460 -0.114 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 -0.558 0.000 1.150 201 P CA 1.589 64.267 63.100 -0.703 0.000 0.800 201 P CB 0.392 31.851 31.700 -0.402 0.000 0.787 202 Q N 0.689 120.346 119.800 -0.239 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 -0.395 0.000 0.982 202 Q CA 1.676 57.354 55.803 -0.209 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 -1.989 113.546 115.700 -0.276 0.000 2.554 203 S HA 0.147 4.618 4.470 0.001 0.000 0.226 203 S C 1.034 175.516 174.600 -0.197 0.000 0.980 203 S CA -0.485 57.554 58.200 -0.269 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 4.619 4.556 0.001 0.000 0.301 204 H C 0.493 175.853 175.328 0.054 0.000 1.081 204 H CA 0.962 56.960 56.048 -0.084 0.000 1.334 204 H CB -0.196 29.529 29.762 -0.060 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 0.541 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 0.374 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 56.491 57.345 0.152 0.000 1.233 207 W CB 1.322 30.877 29.460 0.159 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 60.681 62.300 0.077 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 0.020 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 -1.548 54.549 56.100 -0.005 0.000 1.578 209 R CB 1.173 31.449 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 -0.218 177.011 177.300 -0.118 0.000 1.243 210 P CA 0.240 63.288 63.100 -0.086 0.000 0.768 210 P CB 1.945 33.560 31.700 -0.142 0.000 0.856 211 G N 2.755 111.496 108.800 -0.098 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 1.161 175.847 174.900 -0.355 0.000 2.038 211 G CA -0.238 44.736 45.100 -0.209 0.000 0.728 211 G HN 0.440 nan 8.290 nan 0.000 0.784 212 I N 0.771 121.231 120.570 -0.184 0.000 2.185 212 I HA -0.155 4.015 4.170 0.001 0.000 0.246 212 I C 2.444 178.506 176.117 -0.092 0.000 1.088 212 I CA 1.243 62.471 61.300 -0.121 0.000 1.347 212 I CB 0.079 37.888 38.000 -0.318 0.000 1.041 212 I HN 0.266 nan 8.210 nan 0.000 0.415 213 I N 0.387 120.878 120.570 -0.132 0.000 2.756 213 I HA -0.246 3.924 4.170 0.001 0.000 0.262 213 I C 2.162 178.169 176.117 -0.183 0.000 1.225 213 I CA 0.850 62.074 61.300 -0.127 0.000 1.472 213 I CB -0.029 37.879 38.000 -0.154 0.000 1.094 213 I HN 0.366 nan 8.210 nan 0.000 0.454 214 L N 0.183 121.200 121.223 -0.344 0.000 2.191 214 L HA -0.221 4.120 4.340 0.001 0.000 0.212 214 L C 1.379 177.869 176.870 -0.633 0.000 1.103 214 L CA 1.685 56.209 54.840 -0.527 0.000 0.769 214 L CB -0.393 41.203 42.059 -0.772 0.000 0.908 214 L HN 0.300 nan 8.230 nan 0.000 0.438 215 Y N -0.542 119.623 120.300 -0.224 0.000 2.470 215 Y HA 0.282 4.832 4.550 0.001 0.000 0.284 215 Y C 1.571 177.438 175.900 -0.056 0.000 1.188 215 Y CA 0.341 58.309 58.100 -0.220 0.000 1.269 215 Y CB -0.066 38.150 38.460 -0.406 0.000 1.094 215 Y HN 0.290 nan 8.280 nan 0.000 0.518 216 G N 0.611 109.430 108.800 0.031 0.000 2.176 216 G HA2 -0.237 3.724 3.960 0.001 0.000 0.252 216 G HA3 -0.237 3.724 3.960 0.001 0.000 0.252 216 G C -0.443 174.511 174.900 0.090 0.000 1.024 216 G CA 0.257 45.404 45.100 0.077 0.000 0.755 216 G HN 0.183 nan 8.290 nan 0.000 0.507 217 V N -0.239 119.712 119.914 0.063 0.000 2.769 217 V HA 0.775 4.895 4.120 0.001 0.000 0.312 217 V C 0.653 176.751 176.094 0.007 0.000 1.061 217 V CA -0.195 62.123 62.300 0.031 0.000 0.931 217 V CB 1.959 33.778 31.823 -0.006 0.000 1.010 217 V HN 0.593 nan 8.190 nan 0.000 0.433 218 S N 2.292 118.017 115.700 0.042 0.000 2.523 218 S HA 0.462 4.932 4.470 0.001 0.000 0.275 218 S C 1.230 175.846 174.600 0.028 0.000 1.281 218 S CA 0.080 58.327 58.200 0.077 0.000 1.050 218 S CB 1.346 64.666 63.200 0.199 0.000 0.937 218 S HN 1.072 nan 8.310 nan 0.000 0.492 219 A N 5.344 128.179 122.820 0.025 0.000 2.172 219 A HA 0.198 4.518 4.320 0.001 0.000 0.216 219 A C 0.741 178.459 177.584 0.224 0.000 1.154 219 A CA 0.741 52.874 52.037 0.160 0.000 0.701 219 A CB -0.517 18.570 19.000 0.146 0.000 0.789 219 A HN 0.779 nan 8.150 nan 0.000 0.465 220 L N -1.741 119.575 121.223 0.155 0.000 2.416 220 L HA 0.393 4.733 4.340 0.001 0.000 0.263 220 L C 0.321 177.266 176.870 0.125 0.000 1.065 220 L CA -0.574 54.351 54.840 0.143 0.000 0.798 220 L CB 0.667 42.810 42.059 0.140 0.000 1.267 220 L HN 0.137 nan 8.230 nan 0.000 0.467 221 E N 0.406 120.663 120.200 0.095 0.000 3.105 221 E HA 0.056 4.407 4.350 0.001 0.000 0.219 221 E C -0.996 175.637 176.600 0.055 0.000 1.064 221 E CA -0.028 56.413 56.400 0.069 0.000 1.342 221 E CB 0.208 29.941 29.700 0.055 0.000 1.295 221 E HN 0.547 nan 8.360 nan 0.000 0.438 222 D N 0.141 120.580 120.400 0.064 0.000 2.772 222 D HA 0.058 4.699 4.640 0.001 0.000 0.272 222 D C -0.048 176.275 176.300 0.039 0.000 1.314 222 D CA -0.752 53.278 54.000 0.049 0.000 0.835 222 D CB -0.125 40.709 40.800 0.056 0.000 1.080 222 D HN -0.033 nan 8.370 nan 0.000 0.482 223 R N 0.142 120.663 120.500 0.036 0.000 3.301 223 R HA -0.163 4.177 4.340 0.001 0.000 0.249 223 R C -0.494 175.820 176.300 0.023 0.000 0.964 223 R CA 1.014 57.129 56.100 0.025 0.000 0.653 223 R CB -2.380 27.928 30.300 0.013 0.000 1.043 223 R HN 0.529 nan 8.270 nan 0.000 0.454 224 S N -1.341 114.390 115.700 0.052 0.000 2.472 224 S HA 0.570 5.041 4.470 0.001 0.000 0.303 224 S C 0.543 175.198 174.600 0.091 0.000 1.099 224 S CA -0.371 57.860 58.200 0.053 0.000 1.077 224 S CB 2.309 65.572 63.200 0.106 0.000 1.031 224 S HN 0.288 nan 8.310 nan 0.000 0.487 225 T N -0.428 114.157 114.554 0.052 0.000 2.880 225 T HA 0.614 4.965 4.350 0.001 0.000 0.279 225 T C 1.491 176.285 174.700 0.158 0.000 0.990 225 T CA -0.261 61.887 62.100 0.080 0.000 0.938 225 T CB 0.418 69.308 68.868 0.037 0.000 1.206 225 T HN 0.721 nan 8.240 nan 0.000 0.573 226 G N -0.400 108.494 108.800 0.157 0.000 2.443 226 G HA2 0.083 4.043 3.960 0.001 0.000 0.219 226 G HA3 0.083 4.043 3.960 0.001 0.000 0.219 226 G C 1.599 176.611 174.900 0.188 0.000 1.131 226 G CA 0.539 45.774 45.100 0.226 0.000 0.775 226 G HN 1.058 nan 8.290 nan 0.000 0.547 227 A N 0.656 123.520 122.820 0.075 0.000 2.172 227 A HA 0.073 4.393 4.320 0.001 0.000 0.216 227 A C 1.844 179.381 177.584 -0.078 0.000 1.154 227 A CA 1.660 53.707 52.037 0.016 0.000 0.701 227 A CB -0.198 18.800 19.000 -0.003 0.000 0.789 227 A HN 0.286 nan 8.150 nan 0.000 0.465 228 D N -1.382 118.890 120.400 -0.212 0.000 2.312 228 D HA 0.008 4.649 4.640 0.001 0.000 0.211 228 D C 0.471 176.289 176.300 -0.803 0.000 0.964 228 D CA 1.032 54.701 54.000 -0.551 0.000 0.877 228 D CB -0.109 40.199 40.800 -0.820 0.000 0.924 228 D HN 0.581 nan 8.370 nan 0.000 0.515 229 F N -1.574 118.385 119.950 0.014 0.000 2.683 229 F HA 0.346 4.873 4.527 0.000 0.000 0.306 229 F C 1.614 177.430 175.800 0.027 0.000 1.102 229 F CA -0.250 57.758 58.000 0.014 0.000 1.244 229 F CB 0.830 39.836 39.000 0.009 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 0.130 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 0.259 0.000 0.991 230 G CA -0.064 45.132 45.100 0.161 0.000 0.689 230 G HN 0.351 nan 8.290 nan 0.000 0.522 231 C N 0.836 120.265 119.300 0.215 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 0.147 0.000 1.257 231 C CA -0.684 58.461 59.018 0.210 0.000 1.883 231 C CB 1.186 29.013 27.740 0.146 0.000 2.334 231 C HN 0.590 nan 8.230 nan 0.000 0.524 232 Q N 4.072 123.953 119.800 0.134 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 0.045 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 0.128 0.000 0.765 233 P CB 1.082 32.854 31.700 0.120 0.000 0.828 234 V N 3.586 123.633 119.914 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 1.173 63.625 62.300 0.254 0.000 1.076 234 V CB -0.361 31.635 31.823 0.289 0.000 0.725 234 V HN 0.556 nan 8.190 nan 0.000 0.467 235 M N 0.862 120.672 119.600 0.350 0.000 2.318 235 M HA 0.439 4.920 4.480 0.001 0.000 0.347 235 M C -0.962 175.465 176.300 0.211 0.000 1.175 235 M CA 0.104 55.538 55.300 0.223 0.000 1.075 235 M CB 1.470 34.131 32.600 0.102 0.000 1.614 235 M HN 0.225 nan 8.290 nan 0.000 0.456 236 S N 5.296 121.040 115.700 0.073 0.000 2.561 236 S HA 0.522 4.993 4.470 0.001 0.000 0.303 236 S C -1.079 173.399 174.600 -0.203 0.000 1.110 236 S CA -0.848 57.355 58.200 0.005 0.000 1.034 236 S CB 1.716 64.913 63.200 -0.005 0.000 1.010 236 S HN 0.730 nan 8.310 nan 0.000 0.482 237 L N 4.109 125.018 121.223 -0.523 0.000 2.255 237 L HA 0.620 4.960 4.340 0.001 0.000 0.289 237 L C 0.185 176.792 176.870 -0.438 0.000 1.046 237 L CA 0.419 54.855 54.840 -0.675 0.000 0.816 237 L CB 0.304 41.496 42.059 -1.446 0.000 1.197 237 L HN 0.918 nan 8.230 nan 0.000 0.427 238 T N 1.174 115.556 114.554 -0.286 0.000 2.926 238 T HA 0.898 5.249 4.350 0.001 0.000 0.289 238 T C -0.215 174.377 174.700 -0.180 0.000 1.054 238 T CA -0.360 61.618 62.100 -0.203 0.000 1.015 238 T CB 1.882 70.665 68.868 -0.141 0.000 1.167 238 T HN 0.622 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 -0.155 0.000 1.340 239 S HN 1.059 nan 8.310 nan 0.000 0.544 240 S N 0.148 115.788 115.700 -0.101 0.000 2.607 240 S HA 0.621 5.092 4.470 0.001 0.000 0.273 240 S C -1.537 173.011 174.600 -0.086 0.000 1.148 240 S CA -0.694 57.455 58.200 -0.084 0.000 0.833 240 S CB 1.182 64.342 63.200 -0.068 0.000 1.130 240 S HN 0.613 nan 8.310 nan 0.000 0.470 241 L N 2.310 123.488 121.223 -0.075 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 -0.064 0.000 1.124 241 L CA -0.197 54.598 54.840 -0.075 0.000 0.816 241 L CB 0.530 42.550 42.059 -0.066 0.000 1.129 241 L HN 0.767 nan 8.230 nan 0.000 0.448 242 I N -0.390 120.141 120.570 -0.066 0.000 4.082 242 I HA 0.606 4.776 4.170 0.001 0.000 0.337 242 I C 0.285 176.373 176.117 -0.048 0.000 1.352 242 I CA -0.172 61.095 61.300 -0.055 0.000 1.097 242 I CB 0.591 38.556 38.000 -0.058 0.000 1.048 242 I HN 0.498 nan 8.210 nan 0.000 0.393 243 A N 0.500 123.289 122.820 -0.051 0.000 2.590 243 A HA 0.686 5.007 4.320 0.001 0.000 0.296 243 A C -1.523 176.035 177.584 -0.043 0.000 1.050 243 A CA -0.411 51.600 52.037 -0.042 0.000 0.697 243 A CB 1.508 20.483 19.000 -0.042 0.000 1.277 243 A HN -0.046 nan 8.150 nan 0.000 0.411 244 V N 2.861 122.756 119.914 -0.031 0.000 2.447 244 V HA 0.556 4.676 4.120 0.001 0.000 0.292 244 V C -0.117 175.971 176.094 -0.011 0.000 1.021 244 V CA -0.334 61.950 62.300 -0.026 0.000 0.850 244 V CB 1.485 33.295 31.823 -0.022 0.000 1.005 244 V HN 0.929 nan 8.190 nan 0.000 0.426 245 R N 2.631 123.128 120.500 -0.004 0.000 2.854 245 R HA 0.646 4.987 4.340 0.001 0.000 0.271 245 R C -0.815 175.514 176.300 0.049 0.000 0.996 245 R CA -1.022 55.090 56.100 0.019 0.000 0.961 245 R CB 1.984 32.296 30.300 0.021 0.000 1.182 245 R HN 0.500 nan 8.270 nan 0.000 0.479 246 E N 1.348 121.585 120.200 0.061 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 0.158 0.000 1.051 246 E CA 0.005 56.455 56.400 0.084 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 -1.070 174.282 175.328 0.039 0.000 1.190 247 H CA -0.590 55.489 56.048 0.051 0.000 1.138 247 H CB 1.275 31.097 29.762 0.099 0.000 1.816 247 H HN 0.210 nan 8.280 nan 0.000 0.551 248 K N 1.711 121.857 120.400 -0.424 0.000 2.340 248 K HA 0.706 5.027 4.320 0.001 0.000 0.244 248 K C -0.788 175.649 176.600 -0.271 0.000 0.973 248 K CA -1.095 55.045 56.287 -0.245 0.000 0.828 248 K CB 2.305 34.706 32.500 -0.166 0.000 1.226 248 K HN 0.692 nan 8.250 nan 0.000 0.437 249 A N 0.412 123.151 122.820 -0.135 0.000 2.561 249 A HA 0.337 4.658 4.320 0.001 0.000 0.234 249 A C 1.213 178.705 177.584 -0.152 0.000 1.055 249 A CA 1.373 53.338 52.037 -0.120 0.000 0.756 249 A CB -0.886 18.070 19.000 -0.073 0.000 0.986 249 A HN 0.975 nan 8.150 nan 0.000 0.505 250 G N 1.233 109.934 108.800 -0.164 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 0.075 174.880 174.900 -0.158 0.000 0.987 250 G CA 0.633 45.643 45.100 -0.150 0.000 0.625 250 G HN 0.917 nan 8.290 nan 0.000 0.532 251 E N 2.227 122.301 120.200 -0.209 0.000 2.259 251 E HA 0.413 4.763 4.350 0.001 0.000 0.281 251 E C -2.096 174.517 176.600 0.021 0.000 1.027 251 E CA -1.698 54.604 56.400 -0.164 0.000 0.838 251 E CB 1.782 31.238 29.700 -0.406 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 -0.735 176.725 177.300 0.267 0.000 1.266 252 P CA -0.397 62.777 63.100 0.123 0.000 0.807 252 P CB 1.144 32.887 31.700 0.071 0.000 1.094 253 V N -0.400 119.686 119.914 0.287 0.000 2.760 253 V HA 0.654 4.775 4.120 0.001 0.000 0.309 253 V C 0.483 176.649 176.094 0.120 0.000 1.077 253 V CA 0.264 62.688 62.300 0.207 0.000 0.910 253 V CB 0.927 32.892 31.823 0.235 0.000 1.008 253 V HN 1.143 nan 8.190 nan 0.000 0.424 254 G N 3.080 111.881 108.800 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 44.557 45.100 -0.087 0.000 0.867 254 G HN 0.756 nan 8.290 nan 0.000 0.552 255 Y N 0.923 121.266 120.300 0.070 0.000 2.610 255 Y HA 0.322 4.872 4.550 0.001 0.000 0.332 255 Y C 1.935 177.877 175.900 0.070 0.000 1.201 255 Y CA 1.572 59.712 58.100 0.067 0.000 1.465 255 Y CB 0.686 39.188 38.460 0.069 0.000 1.283 255 Y HN 2.115 nan 8.280 nan 0.000 0.563 256 G N 1.344 110.286 108.800 0.237 0.000 2.168 256 G HA2 -0.203 3.758 3.960 0.001 0.000 0.263 256 G HA3 -0.203 3.758 3.960 0.001 0.000 0.263 256 G C 1.140 176.113 174.900 0.122 0.000 0.977 256 G CA 0.512 45.702 45.100 0.149 0.000 0.659 256 G HN 1.800 nan 8.290 nan 0.000 0.533 257 G N -0.689 108.186 108.800 0.125 0.000 2.309 257 G HA2 -0.137 3.824 3.960 0.001 0.000 0.286 257 G HA3 -0.137 3.824 3.960 0.001 0.000 0.286 257 G C 1.611 176.584 174.900 0.122 0.000 1.002 257 G CA 2.005 47.170 45.100 0.109 0.000 0.786 257 G HN 2.200 nan 8.290 nan 0.000 0.511 258 T N -2.367 112.275 114.554 0.147 0.000 2.883 258 T HA -0.152 4.199 4.350 0.001 0.000 0.266 258 T C 0.725 175.569 174.700 0.241 0.000 1.103 258 T CA 2.046 64.246 62.100 0.165 0.000 1.125 258 T CB -0.096 68.869 68.868 0.162 0.000 0.819 258 T HN 1.045 nan 8.240 nan 0.000 0.536 259 W N 0.140 121.464 121.300 0.040 0.000 2.998 259 W HA 0.564 5.224 4.660 0.000 0.000 0.335 259 W C -2.193 174.358 176.519 0.052 0.000 1.110 259 W CA -1.212 56.155 57.345 0.037 0.000 1.230 259 W CB 1.589 31.061 29.460 0.021 0.000 1.405 259 W HN -0.170 nan 8.180 nan 0.000 0.493 260 V N 4.643 124.107 119.914 -0.751 0.000 2.638 260 V HA 0.404 4.524 4.120 0.001 0.000 0.306 260 V C -0.093 175.261 176.094 -1.233 0.000 1.052 260 V CA -0.973 60.899 62.300 -0.714 0.000 0.885 260 V CB 1.523 33.147 31.823 -0.332 0.000 0.999 260 V HN 0.515 nan 8.190 nan 0.000 0.424 261 S N 2.221 117.275 115.700 -1.077 0.000 2.548 261 S HA 0.242 4.712 4.470 0.001 0.000 0.277 261 S C 0.833 175.237 174.600 -0.327 0.000 1.315 261 S CA -0.267 57.464 58.200 -0.781 0.000 1.050 261 S CB 0.810 63.887 63.200 -0.206 0.000 0.918 261 S HN 0.835 nan 8.310 nan 0.000 0.497 262 E N 1.961 122.051 120.200 -0.184 0.000 2.479 262 E HA 0.095 4.445 4.350 0.001 0.000 0.193 262 E C -0.099 176.478 176.600 -0.037 0.000 1.049 262 E CA 0.015 56.359 56.400 -0.094 0.000 0.870 262 E CB 0.349 30.016 29.700 -0.055 0.000 0.944 262 E HN 0.586 nan 8.360 nan 0.000 0.492 263 R N -0.709 119.788 120.500 -0.005 0.000 2.710 263 R HA 0.336 4.676 4.340 0.001 0.000 0.270 263 R C -1.473 174.855 176.300 0.047 0.000 1.021 263 R CA -0.929 55.185 56.100 0.022 0.000 0.889 263 R CB 0.172 30.499 30.300 0.045 0.000 1.243 263 R HN -0.301 nan 8.270 nan 0.000 0.464 264 D N 0.331 120.749 120.400 0.030 0.000 2.424 264 D HA 0.406 5.047 4.640 0.001 0.000 0.244 264 D C -0.289 176.063 176.300 0.086 0.000 1.134 264 D CA 0.661 54.685 54.000 0.039 0.000 0.881 264 D CB 1.394 42.204 40.800 0.017 0.000 1.191 264 D HN 0.569 nan 8.370 nan 0.000 0.445 265 T N 1.187 115.821 114.554 0.133 0.000 2.648 265 T HA 0.512 4.862 4.350 0.001 0.000 0.304 265 T C -1.359 173.421 174.700 0.134 0.000 1.312 265 T CA -0.716 61.466 62.100 0.136 0.000 1.023 265 T CB 0.932 69.912 68.868 0.188 0.000 1.612 265 T HN 0.272 nan 8.240 nan 0.000 0.487 266 R N 1.107 121.663 120.500 0.093 0.000 2.534 266 R HA 0.674 5.015 4.340 0.001 0.000 0.301 266 R C -1.005 175.309 176.300 0.024 0.000 0.961 266 R CA -0.717 55.420 56.100 0.062 0.000 0.871 266 R CB 1.611 31.929 30.300 0.031 0.000 1.170 266 R HN 0.429 nan 8.270 nan 0.000 0.446 267 L N 1.437 122.658 121.223 -0.003 0.000 2.325 267 L HA 0.610 4.951 4.340 0.001 0.000 0.278 267 L C 0.645 177.471 176.870 -0.074 0.000 1.023 267 L CA -0.843 53.951 54.840 -0.078 0.000 0.811 267 L CB 1.971 43.943 42.059 -0.145 0.000 1.249 267 L HN 0.709 nan 8.230 nan 0.000 0.431 268 G N 1.644 110.385 108.800 -0.099 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 -1.062 173.772 174.900 -0.110 0.000 1.143 268 G CA -0.357 44.689 45.100 -0.090 0.000 0.914 268 G HN 0.287 nan 8.290 nan 0.000 0.480 269 V N 1.965 121.820 119.914 -0.098 0.000 2.409 269 V HA 0.379 4.499 4.120 0.001 0.000 0.291 269 V C 0.009 176.037 176.094 -0.110 0.000 1.020 269 V CA -0.659 61.576 62.300 -0.108 0.000 0.848 269 V CB 1.465 33.233 31.823 -0.092 0.000 0.990 269 V HN 0.563 nan 8.190 nan 0.000 0.430 270 V N 3.460 123.295 119.914 -0.132 0.000 2.539 270 V HA 0.551 4.672 4.120 0.001 0.000 0.292 270 V C 0.837 176.849 176.094 -0.137 0.000 1.045 270 V CA -0.507 61.708 62.300 -0.142 0.000 0.945 270 V CB 1.669 33.381 31.823 -0.185 0.000 0.993 270 V HN 0.971 nan 8.190 nan 0.000 0.464 271 A N 5.654 128.400 122.820 -0.124 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 -0.132 0.000 1.736 271 A CA 0.095 52.064 52.037 -0.113 0.000 1.408 271 A CB -0.836 18.109 19.000 -0.093 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 0.045 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 0.121 0.000 2.529 274 Y HA 0.334 4.885 4.550 0.001 0.000 0.290 274 Y C 1.977 177.916 175.900 0.066 0.000 1.177 274 Y CA 0.515 58.680 58.100 0.109 0.000 1.305 274 Y CB -0.021 38.493 38.460 0.090 0.000 1.047 274 Y HN 0.439 nan 8.280 nan 0.000 0.522 275 G N 0.178 108.910 108.800 -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 0.009 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 41.786 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 -0.144 174.867 174.900 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 0.116 0.000 2.402 278 Y HA 0.471 5.021 4.550 0.001 0.000 0.333 278 Y C -1.596 174.419 175.900 0.191 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 0.044 177.402 177.300 0.097 0.000 1.185 279 P CA 0.367 63.417 63.100 -0.084 0.000 0.763 279 P CB 0.661 32.245 31.700 -0.195 0.000 0.776 280 R N 3.899 124.463 120.500 0.107 0.000 2.189 280 R HA -0.072 4.269 4.340 0.001 0.000 0.223 280 R C 1.853 178.201 176.300 0.081 0.000 1.092 280 R CA 1.284 57.463 56.100 0.130 0.000 0.989 280 R CB -0.410 29.800 30.300 -0.149 0.000 0.876 280 R HN 0.500 nan 8.270 nan 0.000 0.457 281 A N 0.719 123.557 122.820 0.029 0.000 2.167 281 A HA 0.220 4.540 4.320 0.001 0.000 0.214 281 A C 0.952 178.566 177.584 0.049 0.000 1.151 281 A CA 0.581 52.632 52.037 0.022 0.000 0.735 281 A CB -0.243 18.752 19.000 -0.009 0.000 0.802 281 A HN 0.403 nan 8.150 nan 0.000 0.467 282 A N 2.043 124.913 122.820 0.082 0.000 2.553 282 A HA 0.420 4.740 4.320 0.001 0.000 0.258 282 A C -1.925 175.724 177.584 0.108 0.000 1.069 282 A CA -0.632 51.476 52.037 0.118 0.000 0.767 282 A CB -0.379 18.785 19.000 0.273 0.000 0.997 282 A HN 0.389 nan 8.150 nan 0.000 0.512 283 P HA 0.193 nan 4.420 nan 0.000 0.276 283 P C -0.166 177.164 177.300 0.050 0.000 1.244 283 P CA -0.419 62.720 63.100 0.066 0.000 0.801 283 P CB 0.844 32.578 31.700 0.056 0.000 1.006 284 S N 0.203 115.926 115.700 0.038 0.000 2.558 284 S HA 0.331 4.802 4.470 0.001 0.000 0.288 284 S C 1.514 176.109 174.600 -0.008 0.000 1.318 284 S CA 1.282 59.465 58.200 -0.028 0.000 1.056 284 S CB -0.459 62.738 63.200 -0.005 0.000 0.853 284 S HN 0.937 nan 8.310 nan 0.000 0.505 285 G N 2.377 111.146 108.800 -0.051 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 0.007 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 5.019 119.588 114.554 0.025 0.000 2.908 286 T HA 0.424 4.774 4.350 0.001 0.000 0.301 286 T C -1.780 172.951 174.700 0.050 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 -0.887 176.452 177.300 0.064 0.000 1.227 287 P CA -0.330 62.800 63.100 0.049 0.000 0.781 287 P CB 1.061 32.793 31.700 0.054 0.000 0.906 288 V N 4.538 124.465 119.914 0.020 0.000 2.851 288 V HA 0.382 4.502 4.120 0.001 0.000 0.307 288 V C -1.258 174.827 176.094 -0.015 0.000 1.129 288 V CA -1.059 61.242 62.300 0.001 0.000 0.932 288 V CB 2.022 33.807 31.823 -0.064 0.000 1.024 288 V HN 0.292 nan 8.190 nan 0.000 0.426 289 L N 6.358 127.574 121.223 -0.012 0.000 2.265 289 L HA 0.615 4.955 4.340 0.001 0.000 0.288 289 L C -0.646 176.201 176.870 -0.039 0.000 1.058 289 L CA -0.664 54.166 54.840 -0.017 0.000 0.809 289 L CB 1.609 43.666 42.059 -0.002 0.000 1.179 289 L HN 0.459 nan 8.230 nan 0.000 0.429 290 V N 3.945 123.836 119.914 -0.038 0.000 2.378 290 V HA 0.275 4.396 4.120 0.001 0.000 0.288 290 V C 0.308 176.382 176.094 -0.033 0.000 1.016 290 V CA -0.559 61.714 62.300 -0.045 0.000 0.840 290 V CB 1.184 32.976 31.823 -0.052 0.000 0.994 290 V HN 0.885 nan 8.190 nan 0.000 0.431 291 N N 3.974 122.655 118.700 -0.032 0.000 2.708 291 N HA -0.218 4.523 4.740 0.001 0.000 0.251 291 N C 1.113 176.612 175.510 -0.018 0.000 1.123 291 N CA 1.799 54.834 53.050 -0.024 0.000 0.739 291 N CB -0.981 37.493 38.487 -0.022 0.000 1.113 291 N HN 1.512 nan 8.380 nan 0.000 0.561 292 G N -1.059 107.731 108.800 -0.017 0.000 2.159 292 G HA2 -0.297 3.663 3.960 0.001 0.000 0.227 292 G HA3 -0.297 3.663 3.960 0.001 0.000 0.227 292 G C -0.165 174.732 174.900 -0.005 0.000 0.986 292 G CA 0.303 45.398 45.100 -0.009 0.000 0.651 292 G HN 0.535 nan 8.290 nan 0.000 0.523 293 R N 0.850 121.344 120.500 -0.009 0.000 2.476 293 R HA 0.410 4.751 4.340 0.001 0.000 0.305 293 R C -0.521 175.774 176.300 -0.009 0.000 0.965 293 R CA -0.598 55.498 56.100 -0.007 0.000 0.867 293 R CB 1.108 31.401 30.300 -0.011 0.000 1.176 293 R HN 0.377 nan 8.270 nan 0.000 0.447 294 E N 3.776 123.974 120.200 -0.003 0.000 2.366 294 E HA 0.177 4.528 4.350 0.001 0.000 0.266 294 E C -0.615 175.977 176.600 -0.012 0.000 1.015 294 E CA -0.294 56.104 56.400 -0.003 0.000 0.906 294 E CB 0.775 30.480 29.700 0.008 0.000 0.979 294 E HN 0.403 nan 8.360 nan 0.000 0.443 295 V N 2.097 121.996 119.914 -0.025 0.000 2.962 295 V HA 0.713 4.833 4.120 0.001 0.000 0.313 295 V C -2.669 173.392 176.094 -0.054 0.000 1.099 295 V CA -2.365 59.910 62.300 -0.041 0.000 0.971 295 V CB 1.698 33.487 31.823 -0.057 0.000 1.028 295 V HN 0.625 nan 8.190 nan 0.000 0.430 296 P HA 0.519 nan 4.420 nan 0.000 0.290 296 P C -0.478 176.721 177.300 -0.169 0.000 1.275 296 P CA -0.565 62.478 63.100 -0.095 0.000 0.841 296 P CB 1.699 33.347 31.700 -0.086 0.000 1.042 297 I N 2.136 122.618 120.570 -0.147 0.000 2.529 297 I HA 0.128 4.299 4.170 0.001 0.000 0.284 297 I C 0.531 176.454 176.117 -0.323 0.000 1.082 297 I CA -0.355 60.832 61.300 -0.189 0.000 1.406 297 I CB 1.008 38.959 38.000 -0.081 0.000 1.405 297 I HN 0.152 nan 8.210 nan 0.000 0.548 298 V N 3.168 122.795 119.914 -0.477 0.000 2.483 298 V HA 0.991 5.111 4.120 0.001 0.000 0.297 298 V C 0.043 175.876 176.094 -0.435 0.000 1.027 298 V CA -0.263 61.525 62.300 -0.855 0.000 0.855 298 V CB 0.693 31.429 31.823 -1.811 0.000 0.995 298 V HN 1.134 nan 8.190 nan 0.000 0.424 299 G N 2.990 111.688 108.800 -0.170 0.000 2.712 299 G HA2 0.024 3.984 3.960 0.001 0.000 0.683 299 G HA3 0.024 3.984 3.960 0.001 0.000 0.683 299 G C -0.594 174.331 174.900 0.042 0.000 1.320 299 G CA -0.381 44.746 45.100 0.044 0.000 0.847 299 G HN 1.297 nan 8.290 nan 0.000 0.553 300 R N -0.931 119.630 120.500 0.102 0.000 2.543 300 R HA 0.505 4.845 4.340 0.001 0.000 0.277 300 R C 0.610 176.995 176.300 0.141 0.000 1.074 300 R CA -0.362 55.823 56.100 0.142 0.000 1.076 300 R CB 0.713 31.136 30.300 0.205 0.000 0.993 300 R HN 0.810 nan 8.270 nan 0.000 0.459 301 V N 4.813 124.834 119.914 0.179 0.000 2.470 301 V HA 0.345 4.465 4.120 0.001 0.000 0.276 301 V C 0.743 177.015 176.094 0.297 0.000 1.040 301 V CA 0.143 62.565 62.300 0.202 0.000 1.008 301 V CB 0.626 32.627 31.823 0.298 0.000 0.990 301 V HN 0.928 nan 8.190 nan 0.000 0.477 302 A N 5.048 127.978 122.820 0.183 0.000 2.274 302 A HA 0.558 4.878 4.320 0.001 0.000 0.297 302 A C 1.227 178.651 177.584 -0.266 0.000 1.191 302 A CA -0.386 51.760 52.037 0.181 0.000 0.889 302 A CB 0.536 19.629 19.000 0.154 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 -0.568 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 -1.076 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 40.051 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 0.225 175.075 174.990 -0.234 0.000 1.234 307 C CA -0.544 58.360 59.018 -0.191 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 -0.086 119.692 119.914 -0.226 0.000 2.962 308 V HA 0.619 4.739 4.120 0.001 0.000 0.313 308 V C -0.976 174.977 176.094 -0.235 0.000 1.099 308 V CA -0.473 61.687 62.300 -0.233 0.000 0.971 308 V CB 1.957 33.681 31.823 -0.166 0.000 1.028 308 V HN 0.727 nan 8.190 nan 0.000 0.430 309 D N 2.030 122.283 120.400 -0.245 0.000 2.347 309 D HA 0.465 5.106 4.640 0.001 0.000 0.235 309 D C 0.651 176.904 176.300 -0.078 0.000 1.149 309 D CA -0.061 53.839 54.000 -0.167 0.000 0.850 309 D CB 1.427 42.127 40.800 -0.166 0.000 1.061 309 D HN 0.639 nan 8.370 nan 0.000 0.487 310 L N 2.556 123.750 121.223 -0.047 0.000 2.253 310 L HA 0.362 4.702 4.340 0.001 0.000 0.205 310 L C 1.316 178.186 176.870 0.001 0.000 1.078 310 L CA 0.344 55.168 54.840 -0.026 0.000 0.805 310 L CB -0.181 41.862 42.059 -0.028 0.000 0.963 310 L HN 0.602 nan 8.230 nan 0.000 0.459 311 G N -0.715 108.099 108.800 0.022 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 -2.498 172.426 174.900 0.040 0.000 1.340 311 G CA -0.420 44.702 45.100 0.037 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 31.980 31.700 0.039 0.000 0.787 313 Q N -1.015 118.798 119.800 0.021 0.000 2.233 313 Q HA 0.467 4.807 4.340 0.001 0.000 0.340 313 Q C -0.256 175.750 176.000 0.009 0.000 0.899 313 Q CA -0.348 55.463 55.803 0.014 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 0.295 123.121 122.820 0.009 0.000 2.371 314 A HA 0.247 4.568 4.320 0.001 0.000 0.257 314 A C 0.411 177.995 177.584 -0.001 0.000 1.089 314 A CA -0.131 51.908 52.037 0.003 0.000 0.794 314 A CB 0.582 19.582 19.000 -0.001 0.000 1.029 314 A HN 0.415 nan 8.150 nan 0.000 0.488 315 Q N 0.457 120.254 119.800 -0.004 0.000 2.188 315 Q HA 0.056 4.397 4.340 0.001 0.000 0.212 315 Q C -0.684 175.310 176.000 -0.011 0.000 0.846 315 Q CA -0.182 55.618 55.803 -0.006 0.000 0.989 315 Q CB 0.305 29.040 28.738 -0.005 0.000 1.114 315 Q HN 0.819 nan 8.270 nan 0.000 0.488 316 D N 2.616 123.007 120.400 -0.014 0.000 2.399 316 D HA 0.078 4.719 4.640 0.001 0.000 0.241 316 D C 0.064 176.351 176.300 -0.021 0.000 1.133 316 D CA 0.716 54.704 54.000 -0.021 0.000 0.890 316 D CB 0.850 41.633 40.800 -0.028 0.000 1.201 316 D HN 0.123 nan 8.370 nan 0.000 0.432 317 K N -1.363 119.022 120.400 -0.025 0.000 2.536 317 K HA 0.601 4.922 4.320 0.001 0.000 0.269 317 K C -1.030 175.552 176.600 -0.030 0.000 0.965 317 K CA -1.124 55.149 56.287 -0.024 0.000 0.860 317 K CB 1.563 34.051 32.500 -0.019 0.000 1.423 317 K HN 0.323 nan 8.250 nan 0.000 0.438 318 A N 0.481 123.283 122.820 -0.030 0.000 2.598 318 A HA 0.325 4.646 4.320 0.001 0.000 0.239 318 A C 1.326 178.890 177.584 -0.034 0.000 1.032 318 A CA 1.591 53.607 52.037 -0.035 0.000 0.760 318 A CB -1.231 17.751 19.000 -0.031 0.000 0.946 318 A HN 1.478 nan 8.150 nan 0.000 0.512 319 G N 1.965 110.741 108.800 -0.039 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 -0.037 174.840 174.900 -0.039 0.000 0.996 319 G CA 0.253 45.331 45.100 -0.037 0.000 0.626 319 G HN 0.852 nan 8.290 nan 0.000 0.509 320 D N 3.034 123.410 120.400 -0.040 0.000 2.399 320 D HA 0.414 5.055 4.640 0.001 0.000 0.241 320 D C -1.761 174.510 176.300 -0.048 0.000 1.133 320 D CA -0.800 53.177 54.000 -0.040 0.000 0.890 320 D CB 1.026 41.804 40.800 -0.037 0.000 1.201 320 D HN 0.255 nan 8.370 nan 0.000 0.432 321 P HA 0.018 nan 4.420 nan 0.000 0.268 321 P C -0.655 176.609 177.300 -0.061 0.000 1.204 321 P CA -0.119 62.949 63.100 -0.053 0.000 0.768 321 P CB 0.750 32.424 31.700 -0.043 0.000 0.842 322 V N 5.163 125.031 119.914 -0.077 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 -0.099 0.000 1.051 322 V CA -0.678 61.569 62.300 -0.090 0.000 0.893 322 V CB 2.142 33.896 31.823 -0.115 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 -0.083 0.000 2.410 323 I HA 0.267 4.438 4.170 0.001 0.000 0.286 323 I C 0.472 176.546 176.117 -0.072 0.000 1.009 323 I CA -0.493 60.758 61.300 -0.082 0.000 1.111 323 I CB 1.915 39.896 38.000 -0.032 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 -0.145 0.000 2.179 324 L HA 0.058 4.398 4.340 0.001 0.000 0.208 324 L C -0.083 176.907 176.870 0.200 0.000 1.096 324 L CA 1.373 56.171 54.840 -0.069 0.000 0.779 324 L CB -0.828 41.081 42.059 -0.250 0.000 0.922 324 L HN 0.773 nan 8.230 nan 0.000 0.443 325 W N -2.711 118.625 121.300 0.059 0.000 3.499 325 W HA 0.545 5.206 4.660 0.001 0.000 0.288 325 W C -0.325 176.211 176.519 0.029 0.000 1.258 325 W CA -0.494 56.881 57.345 0.050 0.000 1.203 325 W CB 0.003 29.500 29.460 0.063 0.000 1.325 325 W HN 0.087 nan 8.180 nan 0.000 0.564 326 G N 0.362 109.368 108.800 0.344 0.000 2.470 326 G HA2 0.139 4.099 3.960 0.001 0.000 0.145 326 G HA3 0.139 4.099 3.960 0.001 0.000 0.145 326 G C -1.453 173.527 174.900 0.132 0.000 1.223 326 G CA -0.451 44.766 45.100 0.194 0.000 1.058 326 G HN 0.859 nan 8.290 nan 0.000 0.469 327 E N 1.204 121.452 120.200 0.080 0.000 2.014 327 E HA 0.468 4.819 4.350 0.001 0.000 0.275 327 E C 0.924 177.551 176.600 0.044 0.000 0.997 327 E CA 0.534 56.967 56.400 0.055 0.000 0.804 327 E CB 0.089 29.810 29.700 0.035 0.000 1.090 327 E HN 1.901 nan 8.360 nan 0.000 0.401 328 G N 3.945 112.773 108.800 0.046 0.000 2.352 328 G HA2 -0.210 3.750 3.960 0.001 0.000 0.204 328 G HA3 -0.210 3.750 3.960 0.001 0.000 0.204 328 G C -0.255 174.678 174.900 0.055 0.000 1.004 328 G CA -0.001 45.123 45.100 0.041 0.000 0.648 328 G HN 0.485 nan 8.290 nan 0.000 0.491 329 L N 2.277 123.550 121.223 0.084 0.000 2.470 329 L HA 0.549 4.890 4.340 0.001 0.000 0.256 329 L C -2.440 174.514 176.870 0.141 0.000 1.357 329 L CA -2.134 52.772 54.840 0.111 0.000 0.902 329 L CB 1.135 43.275 42.059 0.133 0.000 1.121 329 L HN -0.097 nan 8.230 nan 0.000 0.507 330 P HA -0.053 nan 4.420 nan 0.000 0.264 330 P C 1.160 178.467 177.300 0.011 0.000 1.179 330 P CA 0.333 63.470 63.100 0.062 0.000 0.763 330 P CB 0.885 32.605 31.700 0.033 0.000 0.806 331 V N 2.787 122.632 119.914 -0.114 0.000 2.594 331 V HA -0.256 3.865 4.120 0.001 0.000 0.253 331 V C 1.693 177.628 176.094 -0.266 0.000 1.069 331 V CA 2.070 64.116 62.300 -0.424 0.000 1.082 331 V CB -0.873 30.450 31.823 -0.833 0.000 0.680 331 V HN 0.502 nan 8.190 nan 0.000 0.469 332 E N 0.013 120.134 120.200 -0.132 0.000 2.077 332 E HA -0.237 4.114 4.350 0.001 0.000 0.193 332 E C 2.320 178.892 176.600 -0.047 0.000 0.989 332 E CA 1.491 57.847 56.400 -0.074 0.000 0.800 332 E CB -0.344 29.343 29.700 -0.020 0.000 0.746 332 E HN 0.435 nan 8.360 nan 0.000 0.452 333 R N 0.746 121.233 120.500 -0.022 0.000 2.091 333 R HA -0.101 4.239 4.340 0.001 0.000 0.238 333 R C 1.871 178.174 176.300 0.005 0.000 1.136 333 R CA 1.284 57.387 56.100 0.004 0.000 0.959 333 R CB -0.492 29.824 30.300 0.027 0.000 0.856 333 R HN 0.163 nan 8.270 nan 0.000 0.437 334 I N 0.445 121.013 120.570 -0.004 0.000 2.315 334 I HA -0.122 4.048 4.170 0.001 0.000 0.248 334 I C 2.192 178.280 176.117 -0.047 0.000 1.117 334 I CA 1.410 62.717 61.300 0.012 0.000 1.404 334 I CB -1.557 36.475 38.000 0.054 0.000 1.071 334 I HN 0.252 nan 8.210 nan 0.000 0.419 335 A N 0.547 123.307 122.820 -0.099 0.000 1.902 335 A HA -0.231 4.089 4.320 0.001 0.000 0.217 335 A C 2.400 179.961 177.584 -0.038 0.000 1.181 335 A CA 1.732 53.715 52.037 -0.090 0.000 0.623 335 A CB -0.628 18.316 19.000 -0.095 0.000 0.818 335 A HN 0.498 nan 8.150 nan 0.000 0.443 336 E N -0.830 119.357 120.200 -0.021 0.000 2.051 336 E HA -0.200 4.151 4.350 0.001 0.000 0.192 336 E C 1.969 178.571 176.600 0.005 0.000 0.991 336 E CA 1.486 57.885 56.400 -0.002 0.000 0.799 336 E CB -0.179 29.524 29.700 0.005 0.000 0.748 336 E HN 0.450 nan 8.360 nan 0.000 0.449 337 M N 0.605 120.212 119.600 0.011 0.000 2.117 337 M HA -0.103 4.377 4.480 0.001 0.000 0.262 337 M C 2.517 178.830 176.300 0.022 0.000 1.065 337 M CA 1.999 57.313 55.300 0.024 0.000 1.114 337 M CB -1.345 31.279 32.600 0.040 0.000 1.361 337 M HN 0.252 nan 8.290 nan 0.000 0.408 338 T N -3.460 111.100 114.554 0.009 0.000 3.057 338 T HA 0.137 4.487 4.350 0.001 0.000 0.254 338 T C 0.966 175.660 174.700 -0.010 0.000 1.094 338 T CA 0.281 62.382 62.100 0.002 0.000 1.088 338 T CB 0.154 69.007 68.868 -0.024 0.000 0.934 338 T HN 0.391 nan 8.240 nan 0.000 0.497 339 K N -0.209 120.184 120.400 -0.013 0.000 3.379 339 K HA -0.098 4.222 4.320 0.001 0.000 0.300 339 K C -0.712 175.874 176.600 -0.022 0.000 1.302 339 K CA 0.234 56.514 56.287 -0.012 0.000 0.877 339 K CB -2.015 30.483 32.500 -0.004 0.000 1.343 339 K HN 0.372 nan 8.250 nan 0.000 0.488 340 V N 1.063 120.954 119.914 -0.039 0.000 2.472 340 V HA 0.254 4.374 4.120 0.001 0.000 0.290 340 V C 0.666 176.733 176.094 -0.046 0.000 1.037 340 V CA -0.560 61.711 62.300 -0.049 0.000 0.908 340 V CB 1.768 33.544 31.823 -0.078 0.000 0.985 340 V HN 0.269 nan 8.190 nan 0.000 0.454 341 S N 3.388 119.078 115.700 -0.018 0.000 2.549 341 S HA 0.234 4.705 4.470 0.001 0.000 0.286 341 S C 1.456 176.063 174.600 0.012 0.000 1.314 341 S CA 0.107 58.325 58.200 0.031 0.000 1.062 341 S CB 1.063 64.303 63.200 0.067 0.000 0.865 341 S HN 1.034 nan 8.310 nan 0.000 0.498 342 A N 5.079 127.905 122.820 0.011 0.000 1.978 342 A HA -0.055 4.266 4.320 0.001 0.000 0.220 342 A C 1.613 179.166 177.584 -0.051 0.000 1.170 342 A CA 1.517 53.492 52.037 -0.103 0.000 0.636 342 A CB -0.938 17.992 19.000 -0.116 0.000 0.810 342 A HN 0.965 nan 8.150 nan 0.000 0.448 343 Y N -0.392 119.887 120.300 -0.036 0.000 2.181 343 Y HA -0.199 4.351 4.550 0.001 0.000 0.288 343 Y C 2.518 178.375 175.900 -0.072 0.000 1.146 343 Y CA 1.928 60.021 58.100 -0.012 0.000 1.164 343 Y CB -0.201 38.254 38.460 -0.008 0.000 0.982 343 Y HN 0.533 nan 8.280 nan 0.000 0.515 344 E N 0.062 120.318 120.200 0.093 0.000 2.076 344 E HA -0.135 4.216 4.350 0.001 0.000 0.190 344 E C 2.097 178.685 176.600 -0.020 0.000 0.979 344 E CA 0.609 57.016 56.400 0.012 0.000 0.807 344 E CB -0.215 29.481 29.700 -0.005 0.000 0.761 344 E HN 0.409 nan 8.360 nan 0.000 0.454 345 L N 1.391 122.563 121.223 -0.084 0.000 1.990 345 L HA -0.232 4.108 4.340 0.001 0.000 0.213 345 L C 2.770 179.629 176.870 -0.018 0.000 1.072 345 L CA 1.776 56.523 54.840 -0.156 0.000 0.755 345 L CB -0.679 41.080 42.059 -0.499 0.000 0.889 345 L HN 0.407 nan 8.230 nan 0.000 0.432 346 I N -4.166 116.360 120.570 -0.073 0.000 2.546 346 I HA -0.130 4.041 4.170 0.001 0.000 0.255 346 I C 2.046 178.195 176.117 0.053 0.000 1.163 346 I CA 1.286 62.628 61.300 0.070 0.000 1.457 346 I CB -0.514 37.501 38.000 0.025 0.000 1.092 346 I HN 0.096 nan 8.210 nan 0.000 0.434 347 T N 0.209 114.773 114.554 0.016 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 0.003 0.000 1.037 347 T CA 0.262 62.351 62.100 -0.017 0.000 1.142 347 T CB -0.128 68.679 68.868 -0.101 0.000 0.876 347 T HN 0.225 nan 8.240 nan 0.000 0.455 348 R N 1.977 122.488 120.500 0.018 0.000 4.556 348 R HA 0.268 4.609 4.340 0.001 0.000 0.197 348 R C -0.887 175.446 176.300 0.055 0.000 1.791 348 R CA -0.030 56.086 56.100 0.026 0.000 1.526 348 R CB -0.935 29.375 30.300 0.017 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 0.052 0.000 2.334 349 L HA 0.416 4.756 4.340 0.001 0.000 0.272 349 L C 0.915 177.808 176.870 0.037 0.000 1.020 349 L CA -0.873 54.000 54.840 0.056 0.000 0.812 349 L CB 1.905 43.990 42.059 0.044 0.000 1.264 349 L HN 0.249 nan 8.230 nan 0.000 0.439 350 T N -2.963 111.613 114.554 0.036 0.000 2.862 350 T HA 0.148 4.499 4.350 0.001 0.000 0.276 350 T C 1.031 175.740 174.700 0.015 0.000 0.974 350 T CA -0.155 61.962 62.100 0.029 0.000 0.966 350 T CB 1.388 70.277 68.868 0.035 0.000 1.072 350 T HN 0.661 nan 8.240 nan 0.000 0.538 351 S N -0.670 115.040 115.700 0.015 0.000 2.603 351 S HA -0.033 4.437 4.470 0.001 0.000 0.229 351 S C 1.749 176.351 174.600 0.003 0.000 0.972 351 S CA 0.040 58.247 58.200 0.012 0.000 0.935 351 S CB -0.576 62.633 63.200 0.015 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 -0.001 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 -0.024 0.000 1.055 352 R CA 0.336 56.429 56.100 -0.012 0.000 0.995 352 R CB -0.061 30.230 30.300 -0.015 0.000 0.893 352 R HN 0.343 nan 8.270 nan 0.000 0.459 353 V N 2.506 122.404 119.914 -0.026 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 -0.042 0.000 1.040 353 V CA -0.345 61.927 62.300 -0.046 0.000 1.008 353 V CB 0.874 32.663 31.823 -0.056 0.000 0.990 353 V HN 0.319 nan 8.190 nan 0.000 0.477 354 A N 7.640 130.430 122.820 -0.051 0.000 2.366 354 A HA 0.679 5.000 4.320 0.001 0.000 0.249 354 A C -0.043 177.502 177.584 -0.064 0.000 1.084 354 A CA -0.288 51.724 52.037 -0.042 0.000 0.794 354 A CB 0.279 19.253 19.000 -0.043 0.000 1.034 354 A HN 0.719 nan 8.150 nan 0.000 0.491 355 M N 1.845 121.417 119.600 -0.047 0.000 2.243 355 M HA 0.422 4.903 4.480 0.001 0.000 0.324 355 M C -0.367 175.844 176.300 -0.147 0.000 1.031 355 M CA -0.170 55.063 55.300 -0.112 0.000 0.949 355 M CB 1.385 33.983 32.600 -0.003 0.000 1.615 355 M HN 0.771 nan 8.290 nan 0.000 0.430 356 K N 2.640 122.854 120.400 -0.310 0.000 2.371 356 K HA 0.621 4.942 4.320 0.001 0.000 0.251 356 K C -2.074 174.249 176.600 -0.463 0.000 0.934 356 K CA -0.443 55.714 56.287 -0.217 0.000 0.798 356 K CB 2.181 34.608 32.500 -0.122 0.000 1.204 356 K HN 0.594 nan 8.250 nan 0.000 0.427 357 Y N 1.679 121.997 120.300 0.030 0.000 2.361 357 Y HA 0.318 4.868 4.550 0.001 0.000 0.337 357 Y C -0.251 175.670 175.900 0.035 0.000 0.965 357 Y CA -0.862 57.263 58.100 0.042 0.000 1.091 357 Y CB 2.055 40.541 38.460 0.044 0.000 1.182 357 Y HN 0.254 nan 8.280 nan 0.000 0.450 358 V N -0.152 119.845 119.914 0.138 0.000 2.769 358 V HA 0.766 4.887 4.120 0.001 0.000 0.312 358 V C -0.693 175.461 176.094 0.100 0.000 1.061 358 V CA -0.950 61.407 62.300 0.095 0.000 0.931 358 V CB 1.788 33.641 31.823 0.050 0.000 1.010 358 V HN 0.857 nan 8.190 nan 0.000 0.433 359 D N 0.000 120.446 120.400 0.076 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 0.065 0.000 0.868 359 D CB 0.000 40.836 40.800 0.061 0.000 0.688 359 D HN 0.000 nan 8.370 nan 0.000 0.683