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 3pb1_1_I DATA FIRST_RESID 5 DATA SEQUENCE PSYVAHLASD FGVRVFQQVA QASKDRNVVF SPYGVASVLA MLQLTTGGET DATA SEQUENCE QQQIQAAMGF KIDDKGMAPA LRHLYKELMG PWNKDEISTT DAIFVQRDLK DATA SEQUENCE LVQGFMPHFF RLFRSTVKQV DFSEVERARF IINDWVKTHT KGMISHLLGT DATA SEQUENCE GAVQQLTRLV LVNALYFNGQ WKTPFPDSST HRRLFHKSDG STVSVPMMAQ DATA SEQUENCE TNKFNYTEFT TPDGHYYDIL ELPYHGDTLS MFIAAPYEKE VPLSALTNIL DATA SEQUENCE SAQLISHWKG NMTRLPRLLV LPKFSLETEV DLRKPLENLG MTDMFRQFQA DATA SEQUENCE DFTSLSDQEP LHVALALQKV KIEVNESGTV ASSSTAVIVS ARMAPEEIII DATA SEQUENCE DRPFLFVVRH NPTGTVLFMG QVMEP 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.358 177.300 0.097 0.000 1.155 5 P CA 0.000 63.159 63.100 0.098 0.000 0.800 5 P CB 0.000 31.754 31.700 0.089 0.000 0.726 6 S N -0.547 115.217 115.700 0.107 0.000 2.419 6 S HA -0.106 3.976 4.470 -0.647 0.000 0.233 6 S C 1.706 176.416 174.600 0.183 0.000 1.016 6 S CA 1.174 59.444 58.200 0.116 0.000 0.974 6 S CB -0.410 62.842 63.200 0.086 0.000 0.786 6 S HN 0.343 nan 8.310 nan 0.000 0.492 7 Y N 2.543 122.853 120.300 0.016 0.000 2.109 7 Y HA -0.109 4.053 4.550 -0.645 0.000 0.285 7 Y C 2.189 178.092 175.900 0.005 0.000 1.131 7 Y CA 0.995 59.101 58.100 0.009 0.000 1.121 7 Y CB -0.937 37.511 38.460 -0.020 0.000 0.987 7 Y HN 0.085 nan 8.280 nan 0.000 0.495 8 V N 0.730 120.559 119.914 -0.142 0.000 2.626 8 V HA -0.186 3.545 4.120 -0.647 0.000 0.252 8 V C 2.694 178.695 176.094 -0.154 0.000 1.067 8 V CA 1.340 63.420 62.300 -0.366 0.000 1.081 8 V CB -1.855 29.698 31.823 -0.450 0.000 0.686 8 V HN 0.474 nan 8.190 nan 0.000 0.468 9 A N -0.167 122.653 122.820 0.000 0.000 1.902 9 A HA -0.265 3.667 4.320 -0.647 0.000 0.217 9 A C 2.288 179.927 177.584 0.092 0.000 1.181 9 A CA 1.893 53.969 52.037 0.064 0.000 0.623 9 A CB -0.852 18.194 19.000 0.076 0.000 0.818 9 A HN 0.688 nan 8.150 nan 0.000 0.443 10 H N 0.222 119.324 119.070 0.053 0.000 2.293 10 H HA -0.062 4.106 4.556 -0.647 0.000 0.300 10 H C 1.920 177.296 175.328 0.079 0.000 1.082 10 H CA 1.975 58.070 56.048 0.077 0.000 1.308 10 H CB -0.255 29.583 29.762 0.127 0.000 1.375 10 H HN 0.414 nan 8.280 nan 0.000 0.495 11 L N 0.378 121.665 121.223 0.106 0.000 2.046 11 L HA -0.150 3.801 4.340 -0.647 0.000 0.208 11 L C 3.195 180.155 176.870 0.149 0.000 1.077 11 L CA 1.074 55.968 54.840 0.091 0.000 0.747 11 L CB -0.640 41.405 42.059 -0.024 0.000 0.896 11 L HN 0.289 nan 8.230 nan 0.000 0.432 12 A N -0.548 122.336 122.820 0.106 0.000 1.877 12 A HA -0.190 3.742 4.320 -0.647 0.000 0.216 12 A C 2.522 180.226 177.584 0.200 0.000 1.186 12 A CA 2.137 54.309 52.037 0.225 0.000 0.620 12 A CB -0.626 18.477 19.000 0.172 0.000 0.822 12 A HN 0.368 nan 8.150 nan 0.000 0.443 13 S N -0.259 115.493 115.700 0.088 0.000 2.355 13 S HA -0.163 3.919 4.470 -0.647 0.000 0.222 13 S C 1.869 176.455 174.600 -0.023 0.000 1.031 13 S CA 1.185 59.398 58.200 0.022 0.000 0.993 13 S CB -0.445 62.734 63.200 -0.034 0.000 0.859 13 S HN 0.673 nan 8.310 nan 0.000 0.453 14 D N 0.695 121.031 120.400 -0.106 0.000 2.126 14 D HA -0.166 4.086 4.640 -0.647 0.000 0.190 14 D C 1.739 178.072 176.300 0.056 0.000 1.001 14 D CA 1.178 55.122 54.000 -0.092 0.000 0.841 14 D CB -0.259 40.446 40.800 -0.159 0.000 0.949 14 D HN 0.347 nan 8.370 nan 0.000 0.446 15 F N 0.987 120.947 119.950 0.016 0.000 2.102 15 F HA -0.005 4.134 4.527 -0.647 0.000 0.298 15 F C 2.245 178.093 175.800 0.081 0.000 1.105 15 F CA 2.241 60.274 58.000 0.055 0.000 1.239 15 F CB -0.717 38.333 39.000 0.082 0.000 0.991 15 F HN -0.012 nan 8.300 nan 0.000 0.474 16 G N -0.134 108.616 108.800 -0.082 0.000 2.422 16 G HA2 -0.164 3.408 3.960 -0.647 0.000 0.218 16 G HA3 -0.164 3.408 3.960 -0.647 0.000 0.218 16 G C 1.721 176.623 174.900 0.003 0.000 1.140 16 G CA 1.049 46.095 45.100 -0.090 0.000 0.775 16 G HN 0.361 nan 8.290 nan 0.000 0.545 17 V N 0.593 120.501 119.914 -0.010 0.000 2.427 17 V HA -0.142 3.590 4.120 -0.647 0.000 0.248 17 V C 2.890 178.978 176.094 -0.011 0.000 1.051 17 V CA 1.725 64.039 62.300 0.023 0.000 1.048 17 V CB -0.438 31.371 31.823 -0.024 0.000 0.666 17 V HN 0.316 nan 8.190 nan 0.000 0.456 18 R N -0.300 120.143 120.500 -0.095 0.000 2.105 18 R HA -0.138 3.814 4.340 -0.647 0.000 0.239 18 R C 2.202 178.382 176.300 -0.199 0.000 1.135 18 R CA 1.552 57.579 56.100 -0.122 0.000 0.967 18 R CB -0.535 29.712 30.300 -0.089 0.000 0.861 18 R HN 0.443 nan 8.270 nan 0.000 0.442 19 V N 0.660 120.391 119.914 -0.305 0.000 2.307 19 V HA -0.231 3.501 4.120 -0.647 0.000 0.245 19 V C 1.954 177.774 176.094 -0.456 0.000 1.045 19 V CA 1.631 63.732 62.300 -0.331 0.000 1.024 19 V CB -0.661 30.993 31.823 -0.282 0.000 0.651 19 V HN 0.199 nan 8.190 nan 0.000 0.449 20 F N 2.320 121.912 119.950 -0.597 0.000 2.091 20 F HA -0.333 3.806 4.527 -0.647 0.000 0.299 20 F C 2.643 178.194 175.800 -0.414 0.000 1.103 20 F CA 2.485 60.066 58.000 -0.698 0.000 1.228 20 F CB -0.546 38.257 39.000 -0.328 0.000 0.984 20 F HN 0.369 nan 8.300 nan 0.000 0.477 21 Q N -0.687 118.861 119.800 -0.422 0.000 2.224 21 Q HA -0.199 3.753 4.340 -0.647 0.000 0.203 21 Q C 1.887 177.642 176.000 -0.409 0.000 0.970 21 Q CA 1.287 56.814 55.803 -0.461 0.000 0.865 21 Q CB -0.705 27.916 28.738 -0.195 0.000 0.922 21 Q HN 0.433 nan 8.270 nan 0.000 0.445 22 Q N 0.878 120.475 119.800 -0.338 0.000 2.084 22 Q HA -0.124 3.827 4.340 -0.647 0.000 0.202 22 Q C 2.476 178.283 176.000 -0.323 0.000 0.978 22 Q CA 1.877 57.517 55.803 -0.271 0.000 0.844 22 Q CB -0.492 28.125 28.738 -0.202 0.000 0.898 22 Q HN 0.539 nan 8.270 nan 0.000 0.426 23 V N -0.890 118.750 119.914 -0.456 0.000 2.379 23 V HA -0.010 3.722 4.120 -0.647 0.000 0.245 23 V C 2.150 177.985 176.094 -0.432 0.000 1.044 23 V CA 1.761 63.814 62.300 -0.412 0.000 1.036 23 V CB -0.828 30.739 31.823 -0.426 0.000 0.664 23 V HN 0.190 nan 8.190 nan 0.000 0.453 24 A N -0.211 122.197 122.820 -0.687 0.000 1.902 24 A HA -0.238 3.694 4.320 -0.647 0.000 0.217 24 A C 2.185 179.566 177.584 -0.338 0.000 1.181 24 A CA 2.074 53.750 52.037 -0.602 0.000 0.623 24 A CB -0.660 17.776 19.000 -0.941 0.000 0.818 24 A HN 0.704 nan 8.150 nan 0.000 0.443 25 Q N -0.941 118.675 119.800 -0.307 0.000 2.224 25 Q HA 0.032 3.984 4.340 -0.647 0.000 0.203 25 Q C 2.025 177.935 176.000 -0.151 0.000 0.970 25 Q CA 1.076 56.762 55.803 -0.194 0.000 0.865 25 Q CB -0.254 28.383 28.738 -0.168 0.000 0.922 25 Q HN 0.670 nan 8.270 nan 0.000 0.445 26 A N 0.487 123.208 122.820 -0.165 0.000 2.251 26 A HA 0.040 3.972 4.320 -0.647 0.000 0.209 26 A C 0.701 178.223 177.584 -0.103 0.000 1.187 26 A CA 0.347 52.311 52.037 -0.121 0.000 0.823 26 A CB 0.366 19.294 19.000 -0.119 0.000 0.846 26 A HN 0.204 nan 8.150 nan 0.000 0.486 27 S N -0.936 114.694 115.700 -0.117 0.000 2.359 27 S HA 0.306 4.388 4.470 -0.647 0.000 0.148 27 S C 0.418 174.970 174.600 -0.081 0.000 1.610 27 S CA -0.387 57.763 58.200 -0.084 0.000 1.274 27 S CB 0.695 63.853 63.200 -0.070 0.000 1.380 27 S HN 0.391 nan 8.310 nan 0.000 0.380 28 K N 1.865 122.221 120.400 -0.073 0.000 2.089 28 K HA -0.164 3.768 4.320 -0.647 0.000 0.210 28 K C 0.208 176.781 176.600 -0.044 0.000 1.048 28 K CA 1.881 58.130 56.287 -0.064 0.000 0.926 28 K CB -0.005 32.464 32.500 -0.052 0.000 0.714 28 K HN 0.472 nan 8.250 nan 0.000 0.448 29 D N 0.179 120.561 120.400 -0.030 0.000 2.501 29 D HA 0.058 4.310 4.640 -0.647 0.000 0.226 29 D C -0.393 175.902 176.300 -0.009 0.000 1.198 29 D CA 0.042 54.035 54.000 -0.013 0.000 0.830 29 D CB 0.540 41.338 40.800 -0.003 0.000 1.014 29 D HN 0.029 nan 8.370 nan 0.000 0.496 30 R N 1.045 121.535 120.500 -0.018 0.000 2.589 30 R HA 0.315 4.267 4.340 -0.647 0.000 0.293 30 R C 0.147 176.443 176.300 -0.006 0.000 0.963 30 R CA -0.839 55.256 56.100 -0.009 0.000 0.905 30 R CB 0.865 31.161 30.300 -0.007 0.000 1.144 30 R HN -0.089 nan 8.270 nan 0.000 0.459 31 N N 0.710 119.410 118.700 -0.000 0.000 2.412 31 N HA 0.059 4.411 4.740 -0.647 0.000 0.254 31 N C -0.533 175.019 175.510 0.070 0.000 1.232 31 N CA 0.376 53.436 53.050 0.017 0.000 0.880 31 N CB 0.594 39.090 38.487 0.016 0.000 1.076 31 N HN 0.179 nan 8.380 nan 0.000 0.458 32 V N 1.949 121.936 119.914 0.122 0.000 2.777 32 V HA 0.384 4.115 4.120 -0.647 0.000 0.306 32 V C -0.342 175.932 176.094 0.301 0.000 1.112 32 V CA -0.863 61.556 62.300 0.198 0.000 0.917 32 V CB 2.121 34.048 31.823 0.174 0.000 1.018 32 V HN 0.353 nan 8.190 nan 0.000 0.426 33 V N 3.171 123.296 119.914 0.352 0.000 2.769 33 V HA 0.791 4.523 4.120 -0.647 0.000 0.312 33 V C -0.823 175.560 176.094 0.481 0.000 1.061 33 V CA -0.792 61.762 62.300 0.424 0.000 0.931 33 V CB 1.971 34.059 31.823 0.442 0.000 1.010 33 V HN 0.745 nan 8.190 nan 0.000 0.433 34 F N 1.257 121.361 119.950 0.256 0.000 2.693 34 F HA 0.673 4.813 4.527 -0.645 0.000 0.309 34 F C -0.483 175.439 175.800 0.203 0.000 1.129 34 F CA -0.318 57.824 58.000 0.237 0.000 0.948 34 F CB 2.249 41.435 39.000 0.309 0.000 1.315 34 F HN 0.517 nan 8.300 nan 0.000 0.447 35 S N 4.988 120.368 115.700 -0.534 0.000 2.594 35 S HA 0.457 4.539 4.470 -0.647 0.000 0.322 35 S C -2.326 172.004 174.600 -0.451 0.000 1.085 35 S CA -1.604 56.357 58.200 -0.398 0.000 1.116 35 S CB 1.336 64.323 63.200 -0.355 0.000 0.979 35 S HN 0.427 nan 8.310 nan 0.000 0.465 36 P HA -0.098 nan 4.420 nan 0.000 0.217 36 P C 0.933 178.246 177.300 0.022 0.000 1.150 36 P CA 0.747 63.888 63.100 0.068 0.000 0.832 36 P CB -0.044 31.703 31.700 0.077 0.000 0.787 37 Y N 0.735 120.953 120.300 -0.136 0.000 2.145 37 Y HA -0.104 4.057 4.550 -0.648 0.000 0.286 37 Y C 2.420 178.284 175.900 -0.060 0.000 1.145 37 Y CA 2.080 60.126 58.100 -0.090 0.000 1.148 37 Y CB -1.165 37.203 38.460 -0.153 0.000 0.981 37 Y HN -0.138 nan 8.280 nan 0.000 0.507 38 G N -0.311 108.345 108.800 -0.240 0.000 2.446 38 G HA2 -0.301 3.271 3.960 -0.647 0.000 0.217 38 G HA3 -0.301 3.271 3.960 -0.647 0.000 0.217 38 G C 1.821 176.593 174.900 -0.214 0.000 1.168 38 G CA 1.298 46.242 45.100 -0.259 0.000 0.771 38 G HN 0.424 nan 8.290 nan 0.000 0.551 39 V N 1.260 121.076 119.914 -0.164 0.000 2.407 39 V HA 0.002 3.734 4.120 -0.647 0.000 0.248 39 V C 3.180 179.360 176.094 0.144 0.000 1.055 39 V CA 2.402 64.705 62.300 0.005 0.000 1.049 39 V CB -0.593 31.285 31.823 0.092 0.000 0.662 39 V HN 0.453 nan 8.190 nan 0.000 0.455 40 A N -1.116 121.796 122.820 0.153 0.000 1.902 40 A HA -0.219 3.713 4.320 -0.647 0.000 0.217 40 A C 2.541 180.126 177.584 0.001 0.000 1.181 40 A CA 2.349 54.529 52.037 0.238 0.000 0.623 40 A CB -1.018 18.139 19.000 0.262 0.000 0.818 40 A HN 0.564 nan 8.150 nan 0.000 0.443 41 S N -0.436 115.124 115.700 -0.232 0.000 2.348 41 S HA -0.158 3.924 4.470 -0.647 0.000 0.221 41 S C 2.023 176.503 174.600 -0.200 0.000 1.033 41 S CA 2.088 60.108 58.200 -0.300 0.000 1.010 41 S CB -0.744 62.113 63.200 -0.571 0.000 0.891 41 S HN 0.772 nan 8.310 nan 0.000 0.442 42 V N 0.828 120.652 119.914 -0.151 0.000 2.515 42 V HA -0.034 3.698 4.120 -0.647 0.000 0.250 42 V C 2.242 178.280 176.094 -0.094 0.000 1.058 42 V CA 1.517 63.744 62.300 -0.121 0.000 1.064 42 V CB -1.066 30.726 31.823 -0.053 0.000 0.675 42 V HN 0.461 nan 8.190 nan 0.000 0.461 43 L N 0.436 121.633 121.223 -0.044 0.000 2.313 43 L HA 0.091 4.043 4.340 -0.647 0.000 0.214 43 L C 2.897 179.689 176.870 -0.131 0.000 1.119 43 L CA 1.062 55.868 54.840 -0.056 0.000 0.809 43 L CB -0.733 41.319 42.059 -0.012 0.000 0.933 43 L HN 0.391 nan 8.230 nan 0.000 0.449 44 A N 0.177 122.927 122.820 -0.117 0.000 1.930 44 A HA -0.196 3.736 4.320 -0.647 0.000 0.217 44 A C 2.329 179.866 177.584 -0.078 0.000 1.175 44 A CA 1.426 53.431 52.037 -0.053 0.000 0.627 44 A CB -0.328 18.758 19.000 0.143 0.000 0.815 44 A HN 0.295 nan 8.150 nan 0.000 0.443 45 M N -1.392 117.991 119.600 -0.363 0.000 2.086 45 M HA -0.108 3.984 4.480 -0.647 0.000 0.261 45 M C 2.222 178.493 176.300 -0.049 0.000 1.067 45 M CA 1.452 56.360 55.300 -0.653 0.000 1.116 45 M CB -0.505 31.693 32.600 -0.669 0.000 1.348 45 M HN 0.422 nan 8.290 nan 0.000 0.407 46 L N 0.798 122.017 121.223 -0.007 0.000 2.127 46 L HA -0.231 3.720 4.340 -0.647 0.000 0.211 46 L C 2.439 179.373 176.870 0.107 0.000 1.089 46 L CA 1.828 56.728 54.840 0.099 0.000 0.757 46 L CB -0.616 41.483 42.059 0.066 0.000 0.899 46 L HN 0.331 nan 8.230 nan 0.000 0.434 47 Q N -1.223 118.591 119.800 0.023 0.000 2.156 47 Q HA -0.295 3.657 4.340 -0.647 0.000 0.211 47 Q C 2.200 178.258 176.000 0.098 0.000 0.995 47 Q CA 1.987 57.788 55.803 -0.003 0.000 0.877 47 Q CB -0.419 28.286 28.738 -0.056 0.000 0.920 47 Q HN 0.419 nan 8.270 nan 0.000 0.416 48 L N 0.350 121.712 121.223 0.232 0.000 2.275 48 L HA -0.121 3.831 4.340 -0.647 0.000 0.215 48 L C 2.392 179.529 176.870 0.445 0.000 1.119 48 L CA 1.919 56.972 54.840 0.356 0.000 0.790 48 L CB -0.415 41.928 42.059 0.473 0.000 0.919 48 L HN 0.335 nan 8.230 nan 0.000 0.443 49 T N -4.995 109.790 114.554 0.385 0.000 3.100 49 T HA 0.050 4.012 4.350 -0.647 0.000 0.253 49 T C 0.858 175.642 174.700 0.140 0.000 1.118 49 T CA 0.424 62.695 62.100 0.285 0.000 1.058 49 T CB -0.787 68.261 68.868 0.300 0.000 0.953 49 T HN 0.399 nan 8.240 nan 0.000 0.515 50 T N -1.207 113.337 114.554 -0.016 0.000 2.944 50 T HA 0.754 4.716 4.350 -0.647 0.000 0.284 50 T C 0.210 174.807 174.700 -0.170 0.000 1.010 50 T CA -0.474 61.446 62.100 -0.300 0.000 1.025 50 T CB 1.764 70.370 68.868 -0.438 0.000 1.079 50 T HN 0.408 nan 8.240 nan 0.000 0.516 51 G N -1.581 107.089 108.800 -0.218 0.000 2.725 51 G HA2 0.663 4.235 3.960 -0.647 0.000 0.288 51 G HA3 0.663 4.235 3.960 -0.647 0.000 0.288 51 G C 0.453 175.274 174.900 -0.132 0.000 1.399 51 G CA -0.107 44.919 45.100 -0.123 0.000 0.859 51 G HN 1.409 nan 8.290 nan 0.000 0.479 52 G N -0.082 108.667 108.800 -0.084 0.000 2.661 52 G HA2 -0.375 3.197 3.960 -0.647 0.000 0.327 52 G HA3 -0.375 3.197 3.960 -0.647 0.000 0.327 52 G C 1.153 176.003 174.900 -0.084 0.000 1.320 52 G CA 1.197 46.255 45.100 -0.071 0.000 0.997 52 G HN 0.916 nan 8.290 nan 0.000 0.543 53 E N -0.547 119.607 120.200 -0.076 0.000 2.204 53 E HA -0.067 3.895 4.350 -0.647 0.000 0.194 53 E C 2.778 179.318 176.600 -0.100 0.000 0.989 53 E CA 1.543 57.901 56.400 -0.070 0.000 0.824 53 E CB -0.226 29.446 29.700 -0.046 0.000 0.756 53 E HN 0.532 nan 8.360 nan 0.000 0.477 54 T N 0.674 115.138 114.554 -0.149 0.000 2.674 54 T HA -0.222 3.740 4.350 -0.647 0.000 0.265 54 T C 1.815 176.377 174.700 -0.229 0.000 1.039 54 T CA 1.460 63.427 62.100 -0.222 0.000 1.150 54 T CB -0.235 68.402 68.868 -0.384 0.000 0.864 54 T HN 0.262 nan 8.240 nan 0.000 0.427 55 Q N 0.674 120.340 119.800 -0.224 0.000 2.061 55 Q HA -0.216 3.736 4.340 -0.647 0.000 0.204 55 Q C 2.464 178.379 176.000 -0.142 0.000 0.984 55 Q CA 1.580 57.274 55.803 -0.181 0.000 0.846 55 Q CB -0.168 28.486 28.738 -0.141 0.000 0.902 55 Q HN 0.573 nan 8.270 nan 0.000 0.421 56 Q N -0.059 119.674 119.800 -0.112 0.000 2.045 56 Q HA -0.275 3.677 4.340 -0.647 0.000 0.206 56 Q C 2.124 178.070 176.000 -0.090 0.000 0.991 56 Q CA 2.172 57.923 55.803 -0.087 0.000 0.851 56 Q CB -0.028 28.672 28.738 -0.063 0.000 0.911 56 Q HN 0.531 nan 8.270 nan 0.000 0.418 57 Q N -0.132 119.616 119.800 -0.086 0.000 2.096 57 Q HA -0.173 3.779 4.340 -0.647 0.000 0.204 57 Q C 2.138 178.083 176.000 -0.092 0.000 0.982 57 Q CA 1.621 57.384 55.803 -0.067 0.000 0.850 57 Q CB -0.130 28.580 28.738 -0.047 0.000 0.901 57 Q HN 0.473 nan 8.270 nan 0.000 0.422 58 I N 0.518 121.005 120.570 -0.137 0.000 2.179 58 I HA -0.311 3.470 4.170 -0.647 0.000 0.242 58 I C 2.413 178.361 176.117 -0.281 0.000 1.088 58 I CA 1.316 62.497 61.300 -0.198 0.000 1.357 58 I CB -0.291 37.582 38.000 -0.212 0.000 1.051 58 I HN 0.235 nan 8.210 nan 0.000 0.409 59 Q N 0.640 120.294 119.800 -0.245 0.000 2.061 59 Q HA -0.221 3.731 4.340 -0.647 0.000 0.204 59 Q C 2.491 178.369 176.000 -0.204 0.000 0.984 59 Q CA 1.905 57.550 55.803 -0.264 0.000 0.846 59 Q CB -0.356 28.274 28.738 -0.180 0.000 0.902 59 Q HN 0.599 nan 8.270 nan 0.000 0.421 60 A N 1.067 123.810 122.820 -0.127 0.000 1.883 60 A HA -0.177 3.754 4.320 -0.647 0.000 0.217 60 A C 2.288 179.837 177.584 -0.058 0.000 1.186 60 A CA 1.806 53.802 52.037 -0.069 0.000 0.624 60 A CB -0.895 18.082 19.000 -0.039 0.000 0.822 60 A HN 0.422 nan 8.150 nan 0.000 0.444 61 A N -0.954 121.822 122.820 -0.072 0.000 1.930 61 A HA -0.026 3.906 4.320 -0.647 0.000 0.217 61 A C 2.242 179.782 177.584 -0.073 0.000 1.175 61 A CA 1.686 53.724 52.037 0.000 0.000 0.627 61 A CB -0.453 18.592 19.000 0.076 0.000 0.815 61 A HN 0.530 nan 8.150 nan 0.000 0.443 62 M N -2.084 117.268 119.600 -0.413 0.000 2.288 62 M HA 0.114 4.206 4.480 -0.647 0.000 0.266 62 M C 1.615 177.778 176.300 -0.228 0.000 1.072 62 M CA 1.110 55.988 55.300 -0.704 0.000 1.132 62 M CB 0.056 31.989 32.600 -1.111 0.000 1.386 62 M HN 0.656 nan 8.290 nan 0.000 0.432 63 G N 1.362 110.074 108.800 -0.148 0.000 2.175 63 G HA2 -0.261 3.311 3.960 -0.647 0.000 0.244 63 G HA3 -0.261 3.311 3.960 -0.647 0.000 0.244 63 G C -0.075 174.900 174.900 0.124 0.000 0.982 63 G CA 0.218 45.343 45.100 0.041 0.000 0.641 63 G HN 0.548 nan 8.290 nan 0.000 0.527 64 F N -1.289 118.594 119.950 -0.112 0.000 2.686 64 F HA 0.832 4.969 4.527 -0.650 0.000 0.311 64 F C -0.786 174.952 175.800 -0.104 0.000 1.128 64 F CA -1.929 56.005 58.000 -0.112 0.000 0.946 64 F CB 1.025 39.931 39.000 -0.158 0.000 1.336 64 F HN -0.033 nan 8.300 nan 0.000 0.457 65 K N 2.496 122.946 120.400 0.084 0.000 2.307 65 K HA 0.389 4.321 4.320 -0.647 0.000 0.263 65 K C 0.200 176.877 176.600 0.128 0.000 0.973 65 K CA -0.808 55.477 56.287 -0.003 0.000 0.846 65 K CB 2.689 35.188 32.500 -0.001 0.000 1.100 65 K HN 0.749 nan 8.250 nan 0.000 0.438 66 I N 2.177 122.799 120.570 0.086 0.000 2.423 66 I HA -0.247 3.535 4.170 -0.647 0.000 0.254 66 I C 1.069 177.200 176.117 0.023 0.000 1.151 66 I CA 1.801 63.176 61.300 0.125 0.000 1.421 66 I CB -0.017 38.066 38.000 0.140 0.000 1.079 66 I HN 0.648 nan 8.210 nan 0.000 0.431 67 D N 0.244 120.660 120.400 0.027 0.000 2.347 67 D HA -0.048 4.204 4.640 -0.647 0.000 0.213 67 D C 0.390 176.699 176.300 0.015 0.000 0.985 67 D CA 0.315 54.327 54.000 0.020 0.000 0.879 67 D CB -0.203 40.629 40.800 0.053 0.000 0.919 67 D HN 0.358 nan 8.370 nan 0.000 0.526 68 D N 1.432 121.848 120.400 0.028 0.000 2.423 68 D HA -0.021 4.231 4.640 -0.647 0.000 0.238 68 D C 0.664 176.969 176.300 0.007 0.000 1.142 68 D CA 0.265 54.281 54.000 0.026 0.000 0.884 68 D CB 0.812 41.640 40.800 0.048 0.000 1.199 68 D HN -0.263 nan 8.370 nan 0.000 0.438 69 K N 0.803 121.208 120.400 0.009 0.000 2.412 69 K HA 0.210 4.142 4.320 -0.647 0.000 0.281 69 K C 1.050 177.647 176.600 -0.004 0.000 1.027 69 K CA 0.630 56.916 56.287 -0.002 0.000 0.989 69 K CB 0.667 33.171 32.500 0.007 0.000 0.935 69 K HN 0.675 nan 8.250 nan 0.000 0.475 70 G N 3.700 112.484 108.800 -0.026 0.000 2.225 70 G HA2 -0.275 3.297 3.960 -0.647 0.000 0.254 70 G HA3 -0.275 3.297 3.960 -0.647 0.000 0.254 70 G C 1.009 175.870 174.900 -0.066 0.000 0.988 70 G CA 0.380 45.464 45.100 -0.028 0.000 0.625 70 G HN 0.519 nan 8.290 nan 0.000 0.527 71 M N 0.425 119.978 119.600 -0.079 0.000 2.081 71 M HA 0.183 4.275 4.480 -0.647 0.000 0.261 71 M C 3.050 179.257 176.300 -0.154 0.000 1.075 71 M CA 2.211 57.439 55.300 -0.120 0.000 1.133 71 M CB -1.409 31.160 32.600 -0.051 0.000 1.330 71 M HN 0.580 nan 8.290 nan 0.000 0.414 72 A N 0.792 123.504 122.820 -0.180 0.000 1.902 72 A HA -0.104 3.828 4.320 -0.647 0.000 0.217 72 A C -0.322 177.079 177.584 -0.305 0.000 1.181 72 A CA 1.499 53.363 52.037 -0.290 0.000 0.623 72 A CB -2.071 16.647 19.000 -0.470 0.000 0.818 72 A HN 0.307 nan 8.150 nan 0.000 0.443 73 P HA -0.125 nan 4.420 nan 0.000 0.215 73 P C 1.764 178.771 177.300 -0.487 0.000 1.153 73 P CA 1.953 64.814 63.100 -0.398 0.000 0.853 73 P CB -0.139 31.405 31.700 -0.260 0.000 0.788 74 A N -0.698 121.986 122.820 -0.226 0.000 1.908 74 A HA -0.180 3.752 4.320 -0.647 0.000 0.218 74 A C 2.074 179.610 177.584 -0.079 0.000 1.181 74 A CA 1.486 53.470 52.037 -0.088 0.000 0.627 74 A CB -1.648 17.318 19.000 -0.057 0.000 0.818 74 A HN 0.076 nan 8.150 nan 0.000 0.445 75 L N -0.547 120.608 121.223 -0.112 0.000 2.141 75 L HA -0.043 3.909 4.340 -0.647 0.000 0.209 75 L C 2.459 179.342 176.870 0.023 0.000 1.094 75 L CA 1.665 56.492 54.840 -0.022 0.000 0.763 75 L CB -0.978 41.076 42.059 -0.007 0.000 0.908 75 L HN 0.413 nan 8.230 nan 0.000 0.437 76 R N -1.658 118.777 120.500 -0.108 0.000 2.066 76 R HA -0.150 3.802 4.340 -0.647 0.000 0.232 76 R C 2.344 178.663 176.300 0.032 0.000 1.131 76 R CA 1.108 57.156 56.100 -0.088 0.000 0.955 76 R CB -0.140 30.006 30.300 -0.257 0.000 0.851 76 R HN 0.420 nan 8.270 nan 0.000 0.432 77 H N 0.649 119.744 119.070 0.042 0.000 2.352 77 H HA -0.182 3.988 4.556 -0.644 0.000 0.299 77 H C 2.138 177.497 175.328 0.051 0.000 1.097 77 H CA 1.339 57.412 56.048 0.042 0.000 1.311 77 H CB -0.541 29.233 29.762 0.019 0.000 1.377 77 H HN 0.214 nan 8.280 nan 0.000 0.504 78 L N -0.042 121.280 121.223 0.166 0.000 2.013 78 L HA -0.292 3.660 4.340 -0.647 0.000 0.212 78 L C 2.503 179.414 176.870 0.069 0.000 1.073 78 L CA 1.743 56.638 54.840 0.091 0.000 0.753 78 L CB -0.438 41.686 42.059 0.108 0.000 0.890 78 L HN 0.213 nan 8.230 nan 0.000 0.432 79 Y N 0.948 121.280 120.300 0.054 0.000 2.128 79 Y HA -0.308 3.860 4.550 -0.636 0.000 0.284 79 Y C 2.591 178.511 175.900 0.033 0.000 1.154 79 Y CA 1.782 59.920 58.100 0.065 0.000 1.149 79 Y CB -0.083 38.443 38.460 0.110 0.000 0.976 79 Y HN 0.063 nan 8.280 nan 0.000 0.505 80 K N 0.391 120.850 120.400 0.099 0.000 2.097 80 K HA -0.227 3.704 4.320 -0.647 0.000 0.206 80 K C 2.035 178.620 176.600 -0.025 0.000 1.049 80 K CA 1.753 58.054 56.287 0.024 0.000 0.933 80 K CB -0.520 32.053 32.500 0.123 0.000 0.717 80 K HN 0.547 nan 8.250 nan 0.000 0.442 81 E N 0.786 120.982 120.200 -0.007 0.000 2.106 81 E HA -0.076 3.886 4.350 -0.647 0.000 0.192 81 E C 2.073 178.648 176.600 -0.042 0.000 0.984 81 E CA 0.524 56.929 56.400 0.008 0.000 0.806 81 E CB 0.077 29.779 29.700 0.003 0.000 0.750 81 E HN 0.174 nan 8.360 nan 0.000 0.458 82 L N -0.087 120.999 121.223 -0.229 0.000 2.109 82 L HA -0.066 3.886 4.340 -0.647 0.000 0.207 82 L C 1.742 178.638 176.870 0.043 0.000 1.086 82 L CA 0.489 55.185 54.840 -0.239 0.000 0.760 82 L CB -0.055 41.722 42.059 -0.470 0.000 0.910 82 L HN 0.223 nan 8.230 nan 0.000 0.437 83 M N 0.336 119.788 119.600 -0.247 0.000 2.626 83 M HA 0.229 4.321 4.480 -0.647 0.000 0.262 83 M C 0.889 177.017 176.300 -0.286 0.000 1.256 83 M CA -0.157 54.942 55.300 -0.334 0.000 0.981 83 M CB -1.053 31.214 32.600 -0.554 0.000 1.492 83 M HN 0.015 nan 8.290 nan 0.000 0.474 84 G N 1.745 110.454 108.800 -0.151 0.000 2.611 84 G HA2 0.254 3.826 3.960 -0.647 0.000 0.273 84 G HA3 0.254 3.826 3.960 -0.647 0.000 0.273 84 G C -1.444 173.279 174.900 -0.295 0.000 1.305 84 G CA -0.672 44.374 45.100 -0.089 0.000 1.010 84 G HN 0.219 nan 8.290 nan 0.000 0.509 85 P HA -0.094 nan 4.420 nan 0.000 0.230 85 P C 1.669 178.935 177.300 -0.057 0.000 1.158 85 P CA 1.001 64.047 63.100 -0.090 0.000 0.769 85 P CB -0.109 31.597 31.700 0.010 0.000 0.807 86 W N 0.573 121.924 121.300 0.084 0.000 2.387 86 W HA -0.076 4.196 4.660 -0.647 0.000 0.272 86 W C 0.074 176.713 176.519 0.199 0.000 1.224 86 W CA 0.019 57.451 57.345 0.145 0.000 1.210 86 W CB -1.909 27.613 29.460 0.103 0.000 1.125 86 W HN -0.034 nan 8.180 nan 0.000 0.572 87 N N 2.820 121.004 118.700 -0.860 0.000 2.402 87 N HA -0.003 4.349 4.740 -0.647 0.000 0.259 87 N C -0.222 175.104 175.510 -0.306 0.000 1.167 87 N CA 0.217 52.695 53.050 -0.953 0.000 0.949 87 N CB 0.399 38.112 38.487 -1.289 0.000 1.212 87 N HN -0.096 nan 8.380 nan 0.000 0.493 88 K N 3.163 123.516 120.400 -0.078 0.000 2.518 88 K HA 0.100 4.031 4.320 -0.647 0.000 0.244 88 K C -0.621 175.930 176.600 -0.081 0.000 1.232 88 K CA -0.312 55.929 56.287 -0.077 0.000 1.189 88 K CB -0.239 32.202 32.500 -0.097 0.000 1.737 88 K HN 0.554 nan 8.250 nan 0.000 0.333 89 D N 1.286 121.625 120.400 -0.102 0.000 2.751 89 D HA -0.181 4.071 4.640 -0.647 0.000 0.233 89 D C 0.455 176.735 176.300 -0.033 0.000 1.149 89 D CA 0.995 54.955 54.000 -0.066 0.000 0.682 89 D CB -0.647 40.120 40.800 -0.057 0.000 1.068 89 D HN 0.559 nan 8.370 nan 0.000 0.429 90 E N -0.577 119.594 120.200 -0.049 0.000 2.201 90 E HA 0.232 4.193 4.350 -0.647 0.000 0.193 90 E C 1.138 177.769 176.600 0.050 0.000 0.957 90 E CA 0.233 56.590 56.400 -0.073 0.000 0.858 90 E CB 1.139 30.825 29.700 -0.022 0.000 0.816 90 E HN 0.397 nan 8.360 nan 0.000 0.475 91 I N 0.367 121.028 120.570 0.152 0.000 2.608 91 I HA 0.274 4.056 4.170 -0.647 0.000 0.295 91 I C -1.390 174.852 176.117 0.209 0.000 1.049 91 I CA -0.492 60.995 61.300 0.312 0.000 1.063 91 I CB 2.044 40.310 38.000 0.443 0.000 1.248 91 I HN -0.168 nan 8.210 nan 0.000 0.424 92 S N 3.586 119.461 115.700 0.293 0.000 2.547 92 S HA 0.707 4.789 4.470 -0.647 0.000 0.281 92 S C -0.855 173.909 174.600 0.274 0.000 1.118 92 S CA -0.603 57.733 58.200 0.227 0.000 0.947 92 S CB 1.969 65.286 63.200 0.196 0.000 1.053 92 S HN 0.729 nan 8.310 nan 0.000 0.482 93 T N -0.669 114.031 114.554 0.244 0.000 2.909 93 T HA 0.806 4.768 4.350 -0.647 0.000 0.299 93 T C -0.846 174.011 174.700 0.261 0.000 1.073 93 T CA -0.639 61.621 62.100 0.267 0.000 0.999 93 T CB 1.986 71.035 68.868 0.302 0.000 1.098 93 T HN 0.479 nan 8.240 nan 0.000 0.477 94 T N 1.483 116.179 114.554 0.237 0.000 2.993 94 T HA 0.549 4.510 4.350 -0.647 0.000 0.312 94 T C -2.059 172.765 174.700 0.207 0.000 1.115 94 T CA -0.589 61.658 62.100 0.245 0.000 1.027 94 T CB 1.536 70.568 68.868 0.274 0.000 1.116 94 T HN 0.725 nan 8.240 nan 0.000 0.464 95 D N 1.963 122.456 120.400 0.155 0.000 2.342 95 D HA 0.800 5.052 4.640 -0.647 0.000 0.243 95 D C -0.765 175.503 176.300 -0.053 0.000 1.019 95 D CA -0.172 53.847 54.000 0.032 0.000 0.864 95 D CB 1.945 42.704 40.800 -0.070 0.000 1.315 95 D HN 0.814 nan 8.370 nan 0.000 0.468 96 A N 1.658 124.366 122.820 -0.186 0.000 2.555 96 A HA 0.603 4.534 4.320 -0.647 0.000 0.297 96 A C -1.399 175.890 177.584 -0.491 0.000 1.060 96 A CA -0.601 51.098 52.037 -0.563 0.000 0.710 96 A CB 0.822 19.211 19.000 -1.018 0.000 1.282 96 A HN 0.467 nan 8.150 nan 0.000 0.399 97 I N 1.998 122.192 120.570 -0.626 0.000 2.389 97 I HA 0.462 4.244 4.170 -0.647 0.000 0.288 97 I C -1.340 174.422 176.117 -0.592 0.000 0.999 97 I CA -0.318 60.731 61.300 -0.418 0.000 1.129 97 I CB 1.456 39.294 38.000 -0.271 0.000 1.288 97 I HN 0.565 nan 8.210 nan 0.000 0.444 98 F N 6.212 126.064 119.950 -0.163 0.000 2.427 98 F HA 0.577 4.725 4.527 -0.631 0.000 0.346 98 F C 0.021 175.822 175.800 0.002 0.000 1.120 98 F CA -0.845 57.089 58.000 -0.110 0.000 1.033 98 F CB 1.716 40.701 39.000 -0.025 0.000 1.126 98 F HN 0.083 nan 8.300 nan 0.000 0.462 99 V N 3.510 123.482 119.914 0.096 0.000 2.680 99 V HA 0.421 4.152 4.120 -0.647 0.000 0.309 99 V C -0.679 175.476 176.094 0.102 0.000 1.052 99 V CA -0.832 61.516 62.300 0.081 0.000 0.908 99 V CB 1.937 33.705 31.823 -0.092 0.000 1.001 99 V HN 0.718 nan 8.190 nan 0.000 0.431 100 Q N 4.179 124.101 119.800 0.203 0.000 2.262 100 Q HA 0.006 3.958 4.340 -0.647 0.000 0.298 100 Q C 1.243 177.245 176.000 0.003 0.000 1.083 100 Q CA 1.097 56.987 55.803 0.145 0.000 0.962 100 Q CB 0.340 29.186 28.738 0.180 0.000 1.104 100 Q HN 0.704 nan 8.270 nan 0.000 0.376 101 R N 3.501 123.971 120.500 -0.051 0.000 2.159 101 R HA -0.204 3.747 4.340 -0.647 0.000 0.237 101 R C 0.876 177.159 176.300 -0.028 0.000 1.131 101 R CA 1.786 57.854 56.100 -0.053 0.000 0.982 101 R CB 0.086 30.346 30.300 -0.067 0.000 0.868 101 R HN 0.831 nan 8.270 nan 0.000 0.453 102 D N 0.026 120.418 120.400 -0.012 0.000 2.183 102 D HA -0.082 4.170 4.640 -0.647 0.000 0.203 102 D C -0.029 176.266 176.300 -0.008 0.000 0.969 102 D CA 0.384 54.381 54.000 -0.005 0.000 0.842 102 D CB 0.103 40.908 40.800 0.008 0.000 0.957 102 D HN 0.045 nan 8.370 nan 0.000 0.484 103 L N 1.821 123.036 121.223 -0.014 0.000 2.499 103 L HA 0.022 3.974 4.340 -0.647 0.000 0.273 103 L C 0.743 177.595 176.870 -0.029 0.000 1.195 103 L CA 0.356 55.181 54.840 -0.025 0.000 0.882 103 L CB 0.448 42.481 42.059 -0.043 0.000 1.133 103 L HN -0.222 nan 8.230 nan 0.000 0.483 104 K N 3.525 123.911 120.400 -0.022 0.000 2.349 104 K HA 0.195 4.127 4.320 -0.647 0.000 0.289 104 K C -0.864 175.719 176.600 -0.028 0.000 1.064 104 K CA -0.586 55.691 56.287 -0.017 0.000 0.947 104 K CB 0.389 32.884 32.500 -0.007 0.000 1.007 104 K HN 0.277 nan 8.250 nan 0.000 0.478 105 L N 4.299 125.508 121.223 -0.023 0.000 2.350 105 L HA 0.202 4.154 4.340 -0.647 0.000 0.275 105 L C 0.200 177.075 176.870 0.009 0.000 1.099 105 L CA -0.442 54.376 54.840 -0.036 0.000 0.808 105 L CB 1.123 43.179 42.059 -0.004 0.000 1.149 105 L HN 0.296 nan 8.230 nan 0.000 0.442 106 V N 3.090 123.005 119.914 0.001 0.000 2.720 106 V HA -0.101 3.631 4.120 -0.647 0.000 0.307 106 V C 0.829 176.988 176.094 0.108 0.000 1.071 106 V CA -0.077 62.254 62.300 0.051 0.000 1.199 106 V CB 0.032 31.890 31.823 0.058 0.000 0.900 106 V HN 0.750 nan 8.190 nan 0.000 0.494 107 Q N 2.773 122.619 119.800 0.077 0.000 2.286 107 Q HA 0.240 4.192 4.340 -0.647 0.000 0.290 107 Q C 1.266 177.326 176.000 0.100 0.000 1.049 107 Q CA 0.962 56.811 55.803 0.077 0.000 0.923 107 Q CB 0.354 29.119 28.738 0.046 0.000 1.183 107 Q HN 1.185 nan 8.270 nan 0.000 0.383 108 G N 3.783 112.648 108.800 0.108 0.000 2.179 108 G HA2 -0.360 3.212 3.960 -0.647 0.000 0.260 108 G HA3 -0.360 3.212 3.960 -0.647 0.000 0.260 108 G C 0.226 175.226 174.900 0.166 0.000 0.977 108 G CA 0.401 45.565 45.100 0.105 0.000 0.641 108 G HN 0.754 nan 8.290 nan 0.000 0.533 109 F N 1.123 121.131 119.950 0.098 0.000 2.051 109 F HA 0.037 4.185 4.527 -0.631 0.000 0.296 109 F C 2.685 178.611 175.800 0.209 0.000 1.122 109 F CA 2.601 60.694 58.000 0.156 0.000 1.201 109 F CB -0.215 38.847 39.000 0.104 0.000 0.978 109 F HN 0.161 nan 8.300 nan 0.000 0.472 110 M N 0.408 120.046 119.600 0.064 0.000 2.108 110 M HA -0.113 3.979 4.480 -0.647 0.000 0.261 110 M C -0.365 175.953 176.300 0.030 0.000 1.066 110 M CA 1.756 57.037 55.300 -0.032 0.000 1.107 110 M CB -2.526 30.129 32.600 0.091 0.000 1.356 110 M HN 0.094 nan 8.290 nan 0.000 0.406 111 P HA -0.142 nan 4.420 nan 0.000 0.217 111 P C 1.637 179.025 177.300 0.146 0.000 1.150 111 P CA 1.254 64.430 63.100 0.127 0.000 0.832 111 P CB -0.356 31.403 31.700 0.098 0.000 0.787 112 H N -1.811 117.242 119.070 -0.029 0.000 2.357 112 H HA -0.128 4.038 4.556 -0.650 0.000 0.301 112 H C 1.933 177.188 175.328 -0.121 0.000 1.082 112 H CA 1.104 57.107 56.048 -0.076 0.000 1.342 112 H CB -0.475 29.245 29.762 -0.069 0.000 1.389 112 H HN 0.009 nan 8.280 nan 0.000 0.511 113 F N 0.623 120.349 119.950 -0.373 0.000 2.095 113 F HA -0.245 3.866 4.527 -0.694 0.000 0.298 113 F C 2.371 178.106 175.800 -0.108 0.000 1.104 113 F CA 1.574 59.379 58.000 -0.325 0.000 1.232 113 F CB -0.740 37.918 39.000 -0.570 0.000 0.987 113 F HN 0.123 nan 8.300 nan 0.000 0.475 114 F N 1.162 121.144 119.950 0.053 0.000 2.126 114 F HA -0.186 4.360 4.527 0.033 0.000 0.299 114 F C 2.689 178.421 175.800 -0.113 0.000 1.096 114 F CA 2.079 60.088 58.000 0.015 0.000 1.255 114 F CB -0.665 38.356 39.000 0.035 0.000 0.997 114 F HN -0.089 nan 8.300 nan 0.000 0.479 115 R N 0.344 120.731 120.500 -0.188 0.000 2.083 115 R HA -0.160 3.792 4.340 -0.647 0.000 0.237 115 R C 2.223 178.232 176.300 -0.486 0.000 1.137 115 R CA 2.083 58.001 56.100 -0.303 0.000 0.951 115 R CB -0.494 29.720 30.300 -0.143 0.000 0.851 115 R HN 0.398 nan 8.270 nan 0.000 0.434 116 L N -0.893 119.933 121.223 -0.662 0.000 2.156 116 L HA -0.049 3.903 4.340 -0.647 0.000 0.208 116 L C 1.453 177.669 176.870 -1.090 0.000 1.095 116 L CA 1.180 55.441 54.840 -0.965 0.000 0.770 116 L CB -0.134 41.109 42.059 -1.361 0.000 0.914 116 L HN 0.242 nan 8.230 nan 0.000 0.439 117 F N -1.565 118.037 119.950 -0.581 0.000 2.784 117 F HA 0.255 4.381 4.527 -0.668 0.000 0.323 117 F C 0.674 176.195 175.800 -0.465 0.000 1.085 117 F CA -0.575 57.091 58.000 -0.556 0.000 1.196 117 F CB 0.524 39.053 39.000 -0.786 0.000 1.053 117 F HN -0.158 nan 8.300 nan 0.000 0.578 118 R N 1.067 121.298 120.500 -0.448 0.000 3.758 118 R HA -0.167 3.785 4.340 -0.647 0.000 0.299 118 R C -0.385 175.833 176.300 -0.138 0.000 1.182 118 R CA 0.829 56.568 56.100 -0.602 0.000 0.809 118 R CB -2.995 27.067 30.300 -0.398 0.000 1.249 118 R HN 0.468 nan 8.270 nan 0.000 0.497 119 S N -2.175 113.591 115.700 0.110 0.000 2.705 119 S HA 0.724 4.806 4.470 -0.647 0.000 0.280 119 S C -0.093 174.821 174.600 0.524 0.000 1.174 119 S CA -0.243 58.156 58.200 0.332 0.000 0.823 119 S CB 2.834 66.142 63.200 0.181 0.000 1.162 119 S HN 0.243 nan 8.310 nan 0.000 0.487 120 T N -1.439 113.298 114.554 0.305 0.000 2.912 120 T HA 0.706 4.668 4.350 -0.647 0.000 0.288 120 T C -0.256 174.316 174.700 -0.213 0.000 1.030 120 T CA -0.787 61.382 62.100 0.116 0.000 1.020 120 T CB 1.136 70.012 68.868 0.014 0.000 1.056 120 T HN 0.635 nan 8.240 nan 0.000 0.480 121 V N 3.379 122.980 119.914 -0.523 0.000 2.637 121 V HA 0.238 3.970 4.120 -0.647 0.000 0.296 121 V C 0.482 176.335 176.094 -0.401 0.000 1.046 121 V CA -0.449 61.508 62.300 -0.573 0.000 1.066 121 V CB 0.363 31.867 31.823 -0.531 0.000 0.968 121 V HN 0.788 nan 8.190 nan 0.000 0.483 122 K N 4.934 125.026 120.400 -0.514 0.000 2.201 122 K HA 0.438 4.370 4.320 -0.647 0.000 0.278 122 K C -0.532 175.939 176.600 -0.214 0.000 1.027 122 K CA -0.323 55.720 56.287 -0.407 0.000 0.909 122 K CB 1.219 33.326 32.500 -0.654 0.000 1.062 122 K HN 0.630 nan 8.250 nan 0.000 0.465 123 Q N 1.404 121.125 119.800 -0.131 0.000 2.314 123 Q HA 0.404 4.356 4.340 -0.647 0.000 0.259 123 Q C -0.350 175.585 176.000 -0.108 0.000 0.951 123 Q CA -0.809 54.933 55.803 -0.101 0.000 0.909 123 Q CB 1.798 30.488 28.738 -0.080 0.000 1.236 123 Q HN 0.521 nan 8.270 nan 0.000 0.444 124 V N -0.947 118.847 119.914 -0.200 0.000 2.925 124 V HA 0.511 4.243 4.120 -0.647 0.000 0.311 124 V C -1.115 174.724 176.094 -0.426 0.000 1.104 124 V CA -1.119 60.988 62.300 -0.321 0.000 0.954 124 V CB 2.287 33.835 31.823 -0.459 0.000 1.022 124 V HN 0.603 nan 8.190 nan 0.000 0.427 125 D N 2.458 122.680 120.400 -0.297 0.000 2.365 125 D HA 0.386 4.637 4.640 -0.647 0.000 0.237 125 D C 0.358 176.531 176.300 -0.210 0.000 1.190 125 D CA -0.334 53.551 54.000 -0.191 0.000 0.867 125 D CB 0.690 41.439 40.800 -0.084 0.000 1.050 125 D HN 0.486 nan 8.370 nan 0.000 0.491 126 F N 1.364 121.298 119.950 -0.027 0.000 2.558 126 F HA -0.072 4.067 4.527 -0.645 0.000 0.298 126 F C 2.614 178.399 175.800 -0.025 0.000 1.119 126 F CA 0.547 58.526 58.000 -0.035 0.000 1.451 126 F CB -0.257 38.712 39.000 -0.052 0.000 1.091 126 F HN 0.393 nan 8.300 nan 0.000 0.563 127 S N -0.984 114.793 115.700 0.127 0.000 2.481 127 S HA -0.078 4.004 4.470 -0.647 0.000 0.231 127 S C 0.756 175.385 174.600 0.048 0.000 0.996 127 S CA 0.563 58.809 58.200 0.075 0.000 0.942 127 S CB -0.390 62.840 63.200 0.049 0.000 0.768 127 S HN 0.277 nan 8.310 nan 0.000 0.520 128 E N 1.808 122.029 120.200 0.034 0.000 2.069 128 E HA 0.271 4.233 4.350 -0.647 0.000 0.254 128 E C 0.729 177.352 176.600 0.038 0.000 1.088 128 E CA -0.215 56.198 56.400 0.021 0.000 1.017 128 E CB 1.083 30.783 29.700 -0.000 0.000 1.226 128 E HN 0.181 nan 8.360 nan 0.000 0.458 129 V N 2.299 122.247 119.914 0.057 0.000 2.252 129 V HA -0.345 3.387 4.120 -0.647 0.000 0.249 129 V C 1.797 177.933 176.094 0.070 0.000 1.056 129 V CA 2.093 64.439 62.300 0.078 0.000 1.022 129 V CB -0.122 31.738 31.823 0.063 0.000 0.641 129 V HN 0.452 nan 8.190 nan 0.000 0.445 130 E N -0.316 119.916 120.200 0.053 0.000 2.085 130 E HA -0.261 3.701 4.350 -0.647 0.000 0.194 130 E C 2.278 178.929 176.600 0.085 0.000 0.994 130 E CA 1.673 58.109 56.400 0.060 0.000 0.801 130 E CB -0.351 29.369 29.700 0.033 0.000 0.743 130 E HN 0.521 nan 8.360 nan 0.000 0.453 131 R N 0.368 120.903 120.500 0.059 0.000 2.075 131 R HA -0.028 3.924 4.340 -0.647 0.000 0.232 131 R C 2.168 178.531 176.300 0.105 0.000 1.126 131 R CA 1.270 57.423 56.100 0.088 0.000 0.963 131 R CB -0.279 30.040 30.300 0.032 0.000 0.858 131 R HN 0.205 nan 8.270 nan 0.000 0.435 132 A N 1.195 124.026 122.820 0.019 0.000 1.883 132 A HA -0.201 3.730 4.320 -0.647 0.000 0.217 132 A C 2.173 179.727 177.584 -0.050 0.000 1.186 132 A CA 1.673 53.666 52.037 -0.073 0.000 0.624 132 A CB -0.531 18.445 19.000 -0.040 0.000 0.822 132 A HN 0.387 nan 8.150 nan 0.000 0.444 133 R N -1.998 118.525 120.500 0.038 0.000 2.081 133 R HA -0.131 3.821 4.340 -0.647 0.000 0.235 133 R C 2.060 178.379 176.300 0.032 0.000 1.131 133 R CA 1.604 57.725 56.100 0.035 0.000 0.960 133 R CB -0.585 29.773 30.300 0.096 0.000 0.856 133 R HN 0.624 nan 8.270 nan 0.000 0.436 134 F N 1.713 121.651 119.950 -0.020 0.000 2.069 134 F HA -0.211 3.928 4.527 -0.647 0.000 0.298 134 F C 2.019 177.796 175.800 -0.039 0.000 1.113 134 F CA 1.485 59.479 58.000 -0.010 0.000 1.214 134 F CB -0.334 38.674 39.000 0.013 0.000 0.978 134 F HN -0.128 nan 8.300 nan 0.000 0.474 135 I N 0.313 120.811 120.570 -0.121 0.000 2.127 135 I HA -0.356 3.426 4.170 -0.647 0.000 0.241 135 I C 2.464 178.454 176.117 -0.211 0.000 1.075 135 I CA 1.884 63.075 61.300 -0.182 0.000 1.334 135 I CB -0.566 37.413 38.000 -0.034 0.000 1.040 135 I HN 0.195 nan 8.210 nan 0.000 0.405 136 I N 0.597 120.951 120.570 -0.360 0.000 2.179 136 I HA -0.310 3.471 4.170 -0.647 0.000 0.242 136 I C 2.239 178.253 176.117 -0.172 0.000 1.088 136 I CA 1.396 62.385 61.300 -0.517 0.000 1.357 136 I CB -0.529 37.040 38.000 -0.719 0.000 1.051 136 I HN 0.314 nan 8.210 nan 0.000 0.409 137 N N 0.477 119.026 118.700 -0.251 0.000 2.244 137 N HA -0.204 4.148 4.740 -0.647 0.000 0.183 137 N C 1.486 176.825 175.510 -0.285 0.000 1.016 137 N CA 1.478 54.335 53.050 -0.322 0.000 0.866 137 N CB -0.339 37.735 38.487 -0.689 0.000 0.980 137 N HN 0.381 nan 8.380 nan 0.000 0.430 138 D N 0.376 120.562 120.400 -0.356 0.000 2.117 138 D HA -0.157 4.095 4.640 -0.647 0.000 0.197 138 D C 1.820 178.084 176.300 -0.060 0.000 0.987 138 D CA 0.730 54.535 54.000 -0.326 0.000 0.829 138 D CB -0.022 40.407 40.800 -0.618 0.000 0.961 138 D HN 0.295 nan 8.370 nan 0.000 0.460 139 W N 0.890 122.159 121.300 -0.050 0.000 2.333 139 W HA -0.227 4.038 4.660 -0.659 0.000 0.316 139 W C 1.762 178.400 176.519 0.199 0.000 1.215 139 W CA 1.115 58.559 57.345 0.165 0.000 1.278 139 W CB -0.649 28.967 29.460 0.261 0.000 1.154 139 W HN -0.098 nan 8.180 nan 0.000 0.486 140 V N 1.428 121.520 119.914 0.296 0.000 2.287 140 V HA -0.347 3.385 4.120 -0.647 0.000 0.248 140 V C 2.513 178.626 176.094 0.031 0.000 1.053 140 V CA 2.605 65.012 62.300 0.178 0.000 1.027 140 V CB -1.093 30.815 31.823 0.142 0.000 0.646 140 V HN 0.125 nan 8.190 nan 0.000 0.447 141 K N 0.078 120.454 120.400 -0.040 0.000 2.009 141 K HA -0.237 3.694 4.320 -0.647 0.000 0.210 141 K C 2.362 178.882 176.600 -0.133 0.000 1.049 141 K CA 2.213 58.452 56.287 -0.080 0.000 0.929 141 K CB -0.452 31.990 32.500 -0.096 0.000 0.714 141 K HN 0.624 nan 8.250 nan 0.000 0.440 142 T N -1.504 112.923 114.554 -0.211 0.000 2.812 142 T HA -0.123 3.839 4.350 -0.647 0.000 0.264 142 T C 1.462 175.890 174.700 -0.453 0.000 1.042 142 T CA 1.457 63.347 62.100 -0.350 0.000 1.140 142 T CB -0.466 68.124 68.868 -0.462 0.000 0.870 142 T HN 0.415 nan 8.240 nan 0.000 0.445 143 H N 1.216 120.074 119.070 -0.352 0.000 2.555 143 H HA 0.191 4.359 4.556 -0.647 0.000 0.269 143 H C 1.946 177.205 175.328 -0.116 0.000 0.988 143 H CA 1.384 57.253 56.048 -0.299 0.000 1.178 143 H CB -0.034 29.430 29.762 -0.496 0.000 1.373 143 H HN 0.605 nan 8.280 nan 0.000 0.588 144 T N -2.280 112.264 114.554 -0.018 0.000 3.176 144 T HA 0.169 4.131 4.350 -0.647 0.000 0.263 144 T C 0.509 175.161 174.700 -0.080 0.000 1.021 144 T CA -0.636 61.470 62.100 0.009 0.000 0.905 144 T CB -0.153 68.747 68.868 0.053 0.000 1.057 144 T HN 0.011 nan 8.240 nan 0.000 0.558 145 K N 1.144 121.473 120.400 -0.119 0.000 3.071 145 K HA -0.156 3.775 4.320 -0.647 0.000 0.262 145 K C 1.294 177.803 176.600 -0.152 0.000 0.977 145 K CA 0.776 56.978 56.287 -0.142 0.000 0.721 145 K CB -1.941 30.484 32.500 -0.125 0.000 1.293 145 K HN 0.894 nan 8.250 nan 0.000 0.475 146 G N -1.158 107.561 108.800 -0.135 0.000 2.205 146 G HA2 -0.386 3.186 3.960 -0.647 0.000 0.261 146 G HA3 -0.386 3.186 3.960 -0.647 0.000 0.261 146 G C 0.837 175.650 174.900 -0.145 0.000 0.980 146 G CA 0.408 45.436 45.100 -0.120 0.000 0.632 146 G HN 0.213 nan 8.290 nan 0.000 0.533 147 M N -0.092 119.369 119.600 -0.232 0.000 2.319 147 M HA 0.312 4.404 4.480 -0.647 0.000 0.265 147 M C 1.329 177.550 176.300 -0.132 0.000 1.068 147 M CA 0.980 56.066 55.300 -0.356 0.000 1.118 147 M CB -0.410 31.641 32.600 -0.915 0.000 1.395 147 M HN 0.365 nan 8.290 nan 0.000 0.435 148 I N 0.553 121.099 120.570 -0.041 0.000 2.420 148 I HA 0.095 3.877 4.170 -0.647 0.000 0.282 148 I C 1.061 177.197 176.117 0.031 0.000 1.019 148 I CA -0.317 61.008 61.300 0.041 0.000 1.130 148 I CB 1.540 39.602 38.000 0.104 0.000 1.262 148 I HN 0.080 nan 8.210 nan 0.000 0.454 149 S N 4.068 119.801 115.700 0.054 0.000 2.425 149 S HA 0.147 4.229 4.470 -0.647 0.000 0.225 149 S C 0.727 175.370 174.600 0.072 0.000 1.024 149 S CA 0.645 58.889 58.200 0.073 0.000 0.951 149 S CB 0.129 63.403 63.200 0.122 0.000 0.796 149 S HN 0.624 nan 8.310 nan 0.000 0.498 150 H N -0.604 118.487 119.070 0.035 0.000 3.046 150 H HA 0.499 4.668 4.556 -0.644 0.000 0.361 150 H C -1.525 173.835 175.328 0.053 0.000 1.235 150 H CA -0.747 55.325 56.048 0.039 0.000 1.146 150 H CB 1.715 31.498 29.762 0.035 0.000 1.859 150 H HN 0.135 nan 8.280 nan 0.000 0.548 151 L N 2.901 124.217 121.223 0.155 0.000 2.331 151 L HA 0.290 4.242 4.340 -0.647 0.000 0.275 151 L C 1.428 178.388 176.870 0.151 0.000 1.022 151 L CA -0.571 54.348 54.840 0.132 0.000 0.812 151 L CB 1.807 43.918 42.059 0.086 0.000 1.257 151 L HN 0.445 nan 8.230 nan 0.000 0.435 152 L N 1.506 122.795 121.223 0.110 0.000 2.095 152 L HA -0.002 3.950 4.340 -0.647 0.000 0.204 152 L C 2.288 179.200 176.870 0.070 0.000 1.080 152 L CA 1.282 56.173 54.840 0.085 0.000 0.759 152 L CB -0.273 41.824 42.059 0.064 0.000 0.914 152 L HN 0.957 nan 8.230 nan 0.000 0.439 153 G N -0.671 108.167 108.800 0.064 0.000 2.559 153 G HA2 -0.209 3.363 3.960 -0.647 0.000 0.216 153 G HA3 -0.209 3.363 3.960 -0.647 0.000 0.216 153 G C 1.479 176.400 174.900 0.036 0.000 1.126 153 G CA 1.038 46.165 45.100 0.045 0.000 0.778 153 G HN 0.453 nan 8.290 nan 0.000 0.543 154 T N -1.436 113.145 114.554 0.044 0.000 3.098 154 T HA 0.060 4.022 4.350 -0.647 0.000 0.266 154 T C 2.301 177.022 174.700 0.034 0.000 1.145 154 T CA 0.952 63.069 62.100 0.030 0.000 1.092 154 T CB -0.097 68.787 68.868 0.026 0.000 0.908 154 T HN 0.174 nan 8.240 nan 0.000 0.526 155 G N 1.189 110.013 108.800 0.039 0.000 2.470 155 G HA2 0.065 3.637 3.960 -0.647 0.000 0.220 155 G HA3 0.065 3.637 3.960 -0.647 0.000 0.220 155 G C 1.621 176.530 174.900 0.014 0.000 1.121 155 G CA 0.431 45.550 45.100 0.031 0.000 0.766 155 G HN 0.710 nan 8.290 nan 0.000 0.553 156 A N -0.180 122.642 122.820 0.004 0.000 2.167 156 A HA 0.443 4.375 4.320 -0.647 0.000 0.214 156 A C 1.122 178.684 177.584 -0.037 0.000 1.151 156 A CA -0.012 52.016 52.037 -0.014 0.000 0.735 156 A CB 0.001 18.991 19.000 -0.018 0.000 0.802 156 A HN 0.158 nan 8.150 nan 0.000 0.467 157 V N 0.910 120.807 119.914 -0.029 0.000 2.763 157 V HA 0.274 4.006 4.120 -0.647 0.000 0.306 157 V C 0.145 176.223 176.094 -0.027 0.000 1.059 157 V CA 0.517 62.789 62.300 -0.048 0.000 1.138 157 V CB 1.038 32.879 31.823 0.030 0.000 0.940 157 V HN 0.755 nan 8.190 nan 0.000 0.489 158 Q N 2.705 122.463 119.800 -0.070 0.000 2.416 158 Q HA 0.339 4.291 4.340 -0.647 0.000 0.281 158 Q C 0.215 176.206 176.000 -0.014 0.000 1.067 158 Q CA -0.345 55.431 55.803 -0.044 0.000 0.809 158 Q CB 1.775 30.467 28.738 -0.076 0.000 1.418 158 Q HN 0.584 nan 8.270 nan 0.000 0.411 159 Q N 1.191 121.004 119.800 0.022 0.000 2.248 159 Q HA -0.109 3.843 4.340 -0.647 0.000 0.208 159 Q C 0.563 176.582 176.000 0.031 0.000 0.984 159 Q CA 1.177 57.011 55.803 0.051 0.000 0.875 159 Q CB 0.117 28.877 28.738 0.036 0.000 0.910 159 Q HN 0.509 nan 8.270 nan 0.000 0.433 160 L N -0.141 121.068 121.223 -0.023 0.000 2.607 160 L HA 0.089 4.041 4.340 -0.647 0.000 0.228 160 L C 0.472 177.261 176.870 -0.135 0.000 1.123 160 L CA 0.713 55.526 54.840 -0.045 0.000 0.890 160 L CB -0.138 41.904 42.059 -0.029 0.000 1.103 160 L HN -0.067 nan 8.230 nan 0.000 0.468 161 T N 0.023 114.420 114.554 -0.262 0.000 2.934 161 T HA 0.050 4.011 4.350 -0.647 0.000 0.306 161 T C 1.421 175.756 174.700 -0.609 0.000 1.042 161 T CA 0.339 62.095 62.100 -0.574 0.000 1.145 161 T CB 0.948 69.237 68.868 -0.966 0.000 0.982 161 T HN 0.238 nan 8.240 nan 0.000 0.544 162 R N 0.710 120.890 120.500 -0.532 0.000 2.435 162 R HA 0.335 4.287 4.340 -0.647 0.000 0.221 162 R C -0.640 175.521 176.300 -0.232 0.000 0.885 162 R CA -0.262 55.678 56.100 -0.267 0.000 1.018 162 R CB 0.502 30.691 30.300 -0.186 0.000 1.259 162 R HN 0.308 nan 8.270 nan 0.000 0.597 163 L N 0.817 121.788 121.223 -0.420 0.000 2.543 163 L HA 0.461 4.413 4.340 -0.647 0.000 0.265 163 L C -1.665 175.033 176.870 -0.288 0.000 0.945 163 L CA -0.741 53.907 54.840 -0.320 0.000 0.869 163 L CB 2.399 44.147 42.059 -0.519 0.000 1.294 163 L HN -0.297 nan 8.230 nan 0.000 0.405 164 V N 4.952 124.828 119.914 -0.064 0.000 2.841 164 V HA 0.677 4.409 4.120 -0.647 0.000 0.310 164 V C -0.932 175.226 176.094 0.106 0.000 1.090 164 V CA -0.661 61.650 62.300 0.019 0.000 0.930 164 V CB 2.128 34.016 31.823 0.108 0.000 1.014 164 V HN 0.742 nan 8.190 nan 0.000 0.425 165 L N 3.425 124.699 121.223 0.085 0.000 2.370 165 L HA 1.046 4.998 4.340 -0.647 0.000 0.266 165 L C -0.968 175.980 176.870 0.130 0.000 1.002 165 L CA -0.560 54.335 54.840 0.092 0.000 0.818 165 L CB 2.156 44.231 42.059 0.026 0.000 1.325 165 L HN 0.325 nan 8.230 nan 0.000 0.418 166 V N 2.168 122.164 119.914 0.136 0.000 2.925 166 V HA 0.613 4.345 4.120 -0.647 0.000 0.311 166 V C -1.022 175.142 176.094 0.118 0.000 1.104 166 V CA -0.505 61.889 62.300 0.156 0.000 0.954 166 V CB 2.073 34.043 31.823 0.245 0.000 1.022 166 V HN 1.018 nan 8.190 nan 0.000 0.427 167 N N 1.812 120.582 118.700 0.117 0.000 2.425 167 N HA 0.737 5.089 4.740 -0.647 0.000 0.289 167 N C -1.294 174.289 175.510 0.123 0.000 1.074 167 N CA -0.163 52.945 53.050 0.098 0.000 0.905 167 N CB 2.276 40.783 38.487 0.032 0.000 1.586 167 N HN 0.927 nan 8.380 nan 0.000 0.490 168 A N 3.890 126.806 122.820 0.161 0.000 2.449 168 A HA 0.729 4.661 4.320 -0.647 0.000 0.302 168 A C -1.513 176.201 177.584 0.217 0.000 1.048 168 A CA -0.566 51.580 52.037 0.182 0.000 0.708 168 A CB 1.267 20.381 19.000 0.190 0.000 1.274 168 A HN 0.508 nan 8.150 nan 0.000 0.410 169 L N 1.529 122.910 121.223 0.264 0.000 2.445 169 L HA 0.512 4.464 4.340 -0.647 0.000 0.262 169 L C -1.360 175.756 176.870 0.410 0.000 0.974 169 L CA -0.474 54.586 54.840 0.366 0.000 0.822 169 L CB 1.816 44.156 42.059 0.467 0.000 1.339 169 L HN 0.892 nan 8.230 nan 0.000 0.409 170 Y N 2.548 123.008 120.300 0.266 0.000 2.462 170 Y HA 0.687 4.848 4.550 -0.648 0.000 0.346 170 Y C -1.712 174.307 175.900 0.199 0.000 0.976 170 Y CA -1.010 57.187 58.100 0.161 0.000 1.044 170 Y CB 2.100 40.611 38.460 0.085 0.000 1.230 170 Y HN 0.408 nan 8.280 nan 0.000 0.455 171 F N 6.650 126.013 119.950 -0.978 0.000 2.573 171 F HA 0.443 4.581 4.527 -0.648 0.000 0.316 171 F C -1.648 173.567 175.800 -0.976 0.000 1.148 171 F CA -0.779 56.719 58.000 -0.836 0.000 0.940 171 F CB 1.411 39.841 39.000 -0.951 0.000 1.214 171 F HN 0.654 nan 8.300 nan 0.000 0.448 172 N N 4.209 122.103 118.700 -1.344 0.000 2.581 172 N HA 0.475 4.827 4.740 -0.647 0.000 0.279 172 N C -0.786 174.031 175.510 -1.154 0.000 1.124 172 N CA -0.406 51.993 53.050 -1.085 0.000 0.833 172 N CB 1.264 39.442 38.487 -0.515 0.000 1.338 172 N HN 0.853 nan 8.380 nan 0.000 0.533 173 G N 1.454 109.347 108.800 -1.513 0.000 2.425 173 G HA2 0.270 3.842 3.960 -0.647 0.000 0.302 173 G HA3 0.270 3.842 3.960 -0.647 0.000 0.302 173 G C -0.623 173.971 174.900 -0.509 0.000 1.159 173 G CA -0.181 44.210 45.100 -1.181 0.000 0.865 173 G HN 0.516 nan 8.290 nan 0.000 0.515 174 Q N 0.208 119.951 119.800 -0.096 0.000 2.303 174 Q HA 0.303 4.255 4.340 -0.647 0.000 0.257 174 Q C -0.819 175.380 176.000 0.331 0.000 0.941 174 Q CA -0.368 55.479 55.803 0.074 0.000 0.931 174 Q CB 0.867 29.674 28.738 0.116 0.000 1.215 174 Q HN 0.582 nan 8.270 nan 0.000 0.437 175 W N 2.814 124.321 121.300 0.346 0.000 2.158 175 W HA 0.104 4.377 4.660 -0.645 0.000 0.339 175 W C 1.503 178.130 176.519 0.179 0.000 1.294 175 W CA -0.273 57.197 57.345 0.209 0.000 1.231 175 W CB 0.626 30.158 29.460 0.121 0.000 1.143 175 W HN 0.662 nan 8.180 nan 0.000 0.571 176 K N 0.416 121.058 120.400 0.403 0.000 2.063 176 K HA -0.121 3.810 4.320 -0.647 0.000 0.208 176 K C 0.164 176.859 176.600 0.160 0.000 1.048 176 K CA 1.199 57.633 56.287 0.245 0.000 0.928 176 K CB -0.081 32.511 32.500 0.153 0.000 0.713 176 K HN 0.371 nan 8.250 nan 0.000 0.442 177 T N 3.414 118.033 114.554 0.108 0.000 2.833 177 T HA 0.331 4.293 4.350 -0.647 0.000 0.297 177 T C -2.695 171.986 174.700 -0.032 0.000 1.015 177 T CA -1.665 60.427 62.100 -0.013 0.000 0.963 177 T CB 1.870 70.645 68.868 -0.155 0.000 0.955 177 T HN 0.045 nan 8.240 nan 0.000 0.449 178 P HA 0.276 nan 4.420 nan 0.000 0.272 178 P C -0.583 176.706 177.300 -0.019 0.000 1.223 178 P CA -0.588 62.612 63.100 0.167 0.000 0.784 178 P CB 0.323 32.134 31.700 0.186 0.000 0.923 179 F N 2.033 121.995 119.950 0.021 0.000 2.467 179 F HA 0.269 4.408 4.527 -0.647 0.000 0.362 179 F C -1.599 174.221 175.800 0.033 0.000 1.090 179 F CA -1.796 56.199 58.000 -0.007 0.000 1.202 179 F CB -0.433 38.549 39.000 -0.030 0.000 1.113 179 F HN 0.164 nan 8.300 nan 0.000 0.541 180 P HA 0.031 nan 4.420 nan 0.000 0.271 180 P C 0.372 177.750 177.300 0.130 0.000 1.216 180 P CA -0.017 63.151 63.100 0.113 0.000 0.771 180 P CB 0.753 32.492 31.700 0.065 0.000 0.864 181 D N 1.196 121.658 120.400 0.103 0.000 2.149 181 D HA -0.115 4.137 4.640 -0.647 0.000 0.198 181 D C 1.438 177.785 176.300 0.078 0.000 0.990 181 D CA 1.527 55.580 54.000 0.087 0.000 0.839 181 D CB -0.058 40.782 40.800 0.066 0.000 0.948 181 D HN 0.316 nan 8.370 nan 0.000 0.460 182 S N 0.190 115.931 115.700 0.068 0.000 2.419 182 S HA -0.079 4.003 4.470 -0.647 0.000 0.233 182 S C 2.028 176.672 174.600 0.073 0.000 1.016 182 S CA 0.547 58.781 58.200 0.057 0.000 0.974 182 S CB 0.028 63.251 63.200 0.039 0.000 0.786 182 S HN 0.132 nan 8.310 nan 0.000 0.492 183 S N 0.925 116.684 115.700 0.098 0.000 2.562 183 S HA 0.056 4.138 4.470 -0.647 0.000 0.221 183 S C 0.674 175.416 174.600 0.238 0.000 0.975 183 S CA 0.241 58.519 58.200 0.130 0.000 0.918 183 S CB -0.048 63.235 63.200 0.138 0.000 0.772 183 S HN 0.437 nan 8.310 nan 0.000 0.531 184 T N 4.356 119.016 114.554 0.177 0.000 2.752 184 T HA 0.196 4.158 4.350 -0.647 0.000 0.295 184 T C -0.106 174.696 174.700 0.171 0.000 0.923 184 T CA -0.203 61.983 62.100 0.143 0.000 1.112 184 T CB -0.022 68.881 68.868 0.057 0.000 0.884 184 T HN 0.453 nan 8.240 nan 0.000 0.525 185 H N 1.430 120.512 119.070 0.021 0.000 2.865 185 H HA 0.626 4.794 4.556 -0.647 0.000 0.372 185 H C -0.652 174.689 175.328 0.022 0.000 1.173 185 H CA -1.415 54.645 56.048 0.021 0.000 1.147 185 H CB 0.833 30.609 29.762 0.023 0.000 1.805 185 H HN 0.228 nan 8.280 nan 0.000 0.553 186 R N 0.989 121.504 120.500 0.024 0.000 2.438 186 R HA 0.415 4.367 4.340 -0.647 0.000 0.287 186 R C 0.170 176.467 176.300 -0.004 0.000 1.077 186 R CA -0.122 55.963 56.100 -0.024 0.000 1.034 186 R CB 0.589 30.900 30.300 0.019 0.000 0.993 186 R HN 0.709 nan 8.270 nan 0.000 0.459 187 R N 2.258 122.735 120.500 -0.038 0.000 2.710 187 R HA 0.360 4.312 4.340 -0.647 0.000 0.270 187 R C -1.147 175.176 176.300 0.038 0.000 1.021 187 R CA -0.796 55.316 56.100 0.019 0.000 0.889 187 R CB 1.240 31.526 30.300 -0.023 0.000 1.243 187 R HN 0.436 nan 8.270 nan 0.000 0.464 188 L N 3.275 124.523 121.223 0.043 0.000 2.410 188 L HA 0.272 4.224 4.340 -0.647 0.000 0.273 188 L C -0.373 176.517 176.870 0.033 0.000 1.144 188 L CA 0.115 54.948 54.840 -0.012 0.000 0.863 188 L CB 0.369 42.370 42.059 -0.095 0.000 1.140 188 L HN 0.470 nan 8.230 nan 0.000 0.463 189 F N 2.564 122.439 119.950 -0.124 0.000 2.444 189 F HA 0.349 4.488 4.527 -0.647 0.000 0.342 189 F C -0.037 175.682 175.800 -0.135 0.000 1.121 189 F CA -0.666 57.309 58.000 -0.042 0.000 0.997 189 F CB 0.821 39.827 39.000 0.011 0.000 1.130 189 F HN 0.384 nan 8.300 nan 0.000 0.454 190 H N 5.287 124.105 119.070 -0.419 0.000 2.761 190 H HA 0.279 4.447 4.556 -0.647 0.000 0.284 190 H C -0.272 174.910 175.328 -0.244 0.000 1.105 190 H CA -0.460 55.442 56.048 -0.243 0.000 1.352 190 H CB 0.536 30.166 29.762 -0.219 0.000 1.423 190 H HN 0.478 nan 8.280 nan 0.000 0.464 191 K N 0.906 121.368 120.400 0.103 0.000 2.230 191 K HA 0.016 3.948 4.320 -0.647 0.000 0.253 191 K C 1.192 177.840 176.600 0.079 0.000 1.008 191 K CA 0.256 56.644 56.287 0.168 0.000 0.910 191 K CB 0.666 33.267 32.500 0.168 0.000 0.994 191 K HN 0.664 nan 8.250 nan 0.000 0.495 192 S N 0.216 115.961 115.700 0.074 0.000 2.447 192 S HA -0.140 3.941 4.470 -0.647 0.000 0.233 192 S C 1.134 175.749 174.600 0.026 0.000 1.006 192 S CA 1.418 59.639 58.200 0.035 0.000 0.957 192 S CB -0.307 62.910 63.200 0.028 0.000 0.773 192 S HN 0.760 nan 8.310 nan 0.000 0.507 193 D N 0.214 120.635 120.400 0.035 0.000 2.340 193 D HA 0.268 4.520 4.640 -0.647 0.000 0.220 193 D C 1.448 177.765 176.300 0.028 0.000 1.039 193 D CA 0.675 54.691 54.000 0.026 0.000 0.866 193 D CB -0.533 40.282 40.800 0.025 0.000 0.913 193 D HN 0.580 nan 8.370 nan 0.000 0.523 194 G N -0.063 108.760 108.800 0.039 0.000 2.195 194 G HA2 -0.252 3.320 3.960 -0.647 0.000 0.224 194 G HA3 -0.252 3.320 3.960 -0.647 0.000 0.224 194 G C 0.413 175.343 174.900 0.050 0.000 0.990 194 G CA 0.245 45.373 45.100 0.047 0.000 0.639 194 G HN 0.772 nan 8.290 nan 0.000 0.514 195 S N 0.262 115.986 115.700 0.040 0.000 2.632 195 S HA 0.743 4.824 4.470 -0.647 0.000 0.267 195 S C 0.277 174.883 174.600 0.009 0.000 1.276 195 S CA 0.687 58.903 58.200 0.026 0.000 0.998 195 S CB 1.836 65.052 63.200 0.027 0.000 0.953 195 S HN 1.582 nan 8.310 nan 0.000 0.547 196 T N -2.148 112.390 114.554 -0.028 0.000 2.930 196 T HA 0.766 4.727 4.350 -0.647 0.000 0.290 196 T C -0.641 174.050 174.700 -0.015 0.000 1.052 196 T CA -0.817 61.234 62.100 -0.082 0.000 1.017 196 T CB 1.368 70.108 68.868 -0.213 0.000 1.137 196 T HN 1.229 nan 8.240 nan 0.000 0.511 197 V N 0.595 120.517 119.914 0.014 0.000 2.932 197 V HA 0.713 4.445 4.120 -0.647 0.000 0.307 197 V C -0.459 175.651 176.094 0.028 0.000 1.147 197 V CA -0.542 61.773 62.300 0.025 0.000 0.951 197 V CB 2.213 34.056 31.823 0.032 0.000 1.031 197 V HN 1.314 nan 8.190 nan 0.000 0.426 198 S N 4.991 120.696 115.700 0.009 0.000 2.499 198 S HA 0.732 4.814 4.470 -0.647 0.000 0.275 198 S C -0.888 173.712 174.600 0.000 0.000 1.257 198 S CA -0.157 58.048 58.200 0.009 0.000 1.050 198 S CB 0.874 64.077 63.200 0.005 0.000 0.937 198 S HN 1.107 nan 8.310 nan 0.000 0.490 199 V N 7.070 126.983 119.914 -0.001 0.000 2.851 199 V HA 0.472 4.204 4.120 -0.647 0.000 0.307 199 V C -2.559 173.507 176.094 -0.048 0.000 1.129 199 V CA -1.965 60.321 62.300 -0.024 0.000 0.932 199 V CB 2.702 34.502 31.823 -0.038 0.000 1.024 199 V HN 0.787 nan 8.190 nan 0.000 0.426 200 P HA 0.302 nan 4.420 nan 0.000 0.266 200 P C -0.828 176.403 177.300 -0.115 0.000 1.215 200 P CA 0.293 63.342 63.100 -0.084 0.000 0.763 200 P CB 0.217 31.887 31.700 -0.051 0.000 0.806 201 M N 3.601 123.068 119.600 -0.222 0.000 2.321 201 M HA 0.420 4.512 4.480 -0.647 0.000 0.315 201 M C 0.043 176.219 176.300 -0.206 0.000 1.052 201 M CA -0.628 54.538 55.300 -0.223 0.000 0.936 201 M CB 1.908 34.352 32.600 -0.260 0.000 1.639 201 M HN 0.192 nan 8.290 nan 0.000 0.433 202 M N 1.972 121.465 119.600 -0.179 0.000 2.247 202 M HA 0.698 4.790 4.480 -0.647 0.000 0.326 202 M C -0.054 176.292 176.300 0.077 0.000 1.134 202 M CA -0.249 54.971 55.300 -0.132 0.000 1.136 202 M CB 1.132 33.382 32.600 -0.584 0.000 1.454 202 M HN 0.775 nan 8.290 nan 0.000 0.467 203 A N 2.029 125.031 122.820 0.303 0.000 2.515 203 A HA 0.748 4.680 4.320 -0.647 0.000 0.298 203 A C -1.343 176.439 177.584 0.329 0.000 1.059 203 A CA -0.571 51.659 52.037 0.323 0.000 0.698 203 A CB 2.082 21.232 19.000 0.250 0.000 1.289 203 A HN 0.806 nan 8.150 nan 0.000 0.404 204 Q N 0.297 120.212 119.800 0.191 0.000 2.438 204 Q HA 0.567 4.519 4.340 -0.647 0.000 0.272 204 Q C -1.503 174.530 176.000 0.055 0.000 0.994 204 Q CA -0.386 55.427 55.803 0.016 0.000 0.887 204 Q CB 1.846 30.391 28.738 -0.322 0.000 1.432 204 Q HN 1.009 nan 8.270 nan 0.000 0.392 205 T N 1.605 116.144 114.554 -0.025 0.000 2.772 205 T HA 0.704 4.666 4.350 -0.647 0.000 0.288 205 T C -0.341 174.245 174.700 -0.190 0.000 0.994 205 T CA -0.332 61.743 62.100 -0.041 0.000 0.951 205 T CB 0.661 69.505 68.868 -0.040 0.000 0.933 205 T HN 0.776 nan 8.240 nan 0.000 0.447 206 N N 2.013 120.490 118.700 -0.372 0.000 3.517 206 N HA 0.256 4.608 4.740 -0.647 0.000 0.329 206 N C -1.737 173.345 175.510 -0.713 0.000 1.569 206 N CA -1.026 51.695 53.050 -0.548 0.000 0.852 206 N CB 0.849 39.001 38.487 -0.559 0.000 1.955 206 N HN 0.492 nan 8.380 nan 0.000 0.555 207 K N 0.086 120.112 120.400 -0.624 0.000 2.263 207 K HA 0.387 4.318 4.320 -0.647 0.000 0.282 207 K C -1.093 175.207 176.600 -0.499 0.000 1.089 207 K CA -0.185 55.848 56.287 -0.422 0.000 0.907 207 K CB 0.212 32.573 32.500 -0.231 0.000 1.148 207 K HN 0.265 nan 8.250 nan 0.000 0.470 208 F N 1.293 121.199 119.950 -0.074 0.000 2.469 208 F HA 0.238 4.376 4.527 -0.647 0.000 0.332 208 F C 0.829 176.625 175.800 -0.007 0.000 1.103 208 F CA -1.228 56.733 58.000 -0.066 0.000 0.979 208 F CB 0.899 39.856 39.000 -0.071 0.000 1.137 208 F HN 0.348 nan 8.300 nan 0.000 0.463 209 N N 2.496 121.298 118.700 0.170 0.000 2.411 209 N HA -0.026 4.326 4.740 -0.647 0.000 0.261 209 N C -1.242 174.377 175.510 0.182 0.000 1.248 209 N CA 0.492 53.620 53.050 0.129 0.000 0.885 209 N CB 0.041 38.557 38.487 0.048 0.000 1.062 209 N HN 0.640 nan 8.380 nan 0.000 0.471 210 Y N 0.899 121.230 120.300 0.050 0.000 2.534 210 Y HA 0.469 4.631 4.550 -0.647 0.000 0.345 210 Y C -0.602 175.329 175.900 0.052 0.000 1.031 210 Y CA -0.554 57.565 58.100 0.031 0.000 1.022 210 Y CB 1.849 40.328 38.460 0.031 0.000 1.292 210 Y HN 0.398 nan 8.280 nan 0.000 0.459 211 T N 3.890 117.919 114.554 -0.874 0.000 2.853 211 T HA 0.328 4.290 4.350 -0.647 0.000 0.311 211 T C -2.158 172.057 174.700 -0.809 0.000 1.307 211 T CA -0.691 61.066 62.100 -0.572 0.000 1.019 211 T CB 1.584 70.429 68.868 -0.038 0.000 1.264 211 T HN 0.772 nan 8.240 nan 0.000 0.497 212 E N 2.437 122.437 120.200 -0.334 0.000 2.176 212 E HA 0.577 4.539 4.350 -0.647 0.000 0.267 212 E C -1.383 175.188 176.600 -0.048 0.000 0.893 212 E CA -0.558 55.714 56.400 -0.212 0.000 0.761 212 E CB 0.783 30.431 29.700 -0.085 0.000 1.133 212 E HN 0.376 nan 8.360 nan 0.000 0.409 213 F N 1.047 120.643 119.950 -0.589 0.000 2.585 213 F HA 0.513 4.652 4.527 -0.646 0.000 0.350 213 F C 0.272 175.840 175.800 -0.388 0.000 1.074 213 F CA -0.546 57.136 58.000 -0.529 0.000 1.032 213 F CB 2.233 40.840 39.000 -0.656 0.000 1.330 213 F HN 0.252 nan 8.300 nan 0.000 0.495 214 T N -0.014 114.565 114.554 0.042 0.000 2.861 214 T HA 0.434 4.396 4.350 -0.647 0.000 0.287 214 T C -0.304 174.609 174.700 0.355 0.000 1.003 214 T CA -0.890 61.282 62.100 0.120 0.000 0.977 214 T CB 1.374 70.193 68.868 -0.081 0.000 0.996 214 T HN 0.686 nan 8.240 nan 0.000 0.448 215 T N 0.841 115.622 114.554 0.378 0.000 2.813 215 T HA 0.222 4.184 4.350 -0.647 0.000 0.297 215 T C -1.662 173.119 174.700 0.135 0.000 1.036 215 T CA -1.327 60.943 62.100 0.284 0.000 1.044 215 T CB 0.095 69.103 68.868 0.232 0.000 0.993 215 T HN 0.174 nan 8.240 nan 0.000 0.535 216 P HA -0.025 nan 4.420 nan 0.000 0.219 216 P C 0.378 177.682 177.300 0.006 0.000 1.146 216 P CA 1.082 64.215 63.100 0.055 0.000 0.808 216 P CB -0.202 31.534 31.700 0.059 0.000 0.779 217 D N -2.164 118.240 120.400 0.007 0.000 2.328 217 D HA 0.277 4.529 4.640 -0.647 0.000 0.226 217 D C 1.299 177.430 176.300 -0.281 0.000 1.066 217 D CA 0.618 54.578 54.000 -0.068 0.000 0.861 217 D CB -0.474 40.350 40.800 0.039 0.000 0.912 217 D HN 0.122 nan 8.370 nan 0.000 0.521 218 G N 0.301 108.956 108.800 -0.242 0.000 2.176 218 G HA2 -0.256 3.316 3.960 -0.647 0.000 0.232 218 G HA3 -0.256 3.316 3.960 -0.647 0.000 0.232 218 G C -0.188 174.440 174.900 -0.454 0.000 0.986 218 G CA -0.485 44.403 45.100 -0.354 0.000 0.643 218 G HN 0.505 nan 8.290 nan 0.000 0.522 219 H N -0.567 118.452 119.070 -0.086 0.000 2.502 219 H HA 0.558 4.726 4.556 -0.647 0.000 0.327 219 H C 0.099 175.447 175.328 0.034 0.000 1.099 219 H CA -0.387 55.639 56.048 -0.037 0.000 1.323 219 H CB 0.556 30.358 29.762 0.067 0.000 1.450 219 H HN 0.328 nan 8.280 nan 0.000 0.502 220 Y N 2.471 122.944 120.300 0.288 0.000 2.336 220 Y HA 0.172 4.334 4.550 -0.647 0.000 0.331 220 Y C -0.262 175.847 175.900 0.348 0.000 1.211 220 Y CA -0.278 57.949 58.100 0.212 0.000 1.346 220 Y CB 0.548 39.049 38.460 0.067 0.000 1.271 220 Y HN 0.615 nan 8.280 nan 0.000 0.538 221 Y N -0.771 119.713 120.300 0.305 0.000 2.519 221 Y HA 0.460 4.622 4.550 -0.647 0.000 0.336 221 Y C -1.534 174.410 175.900 0.074 0.000 1.089 221 Y CA -1.714 56.493 58.100 0.179 0.000 1.025 221 Y CB 0.941 39.464 38.460 0.104 0.000 1.318 221 Y HN 0.412 nan 8.280 nan 0.000 0.452 222 D N 4.403 124.896 120.400 0.155 0.000 2.304 222 D HA 0.424 4.676 4.640 -0.647 0.000 0.247 222 D C -0.214 175.980 176.300 -0.177 0.000 1.089 222 D CA 0.144 54.149 54.000 0.009 0.000 0.910 222 D CB 1.735 42.684 40.800 0.248 0.000 1.199 222 D HN 0.540 nan 8.370 nan 0.000 0.426 223 I N 1.827 122.148 120.570 -0.416 0.000 2.512 223 I HA 0.342 4.124 4.170 -0.647 0.000 0.287 223 I C -0.440 175.539 176.117 -0.229 0.000 1.069 223 I CA -0.516 60.558 61.300 -0.377 0.000 1.056 223 I CB 1.311 38.922 38.000 -0.648 0.000 1.229 223 I HN 0.129 nan 8.210 nan 0.000 0.429 224 L N 4.603 125.780 121.223 -0.078 0.000 2.342 224 L HA 0.522 4.474 4.340 -0.647 0.000 0.271 224 L C -0.009 176.753 176.870 -0.181 0.000 1.008 224 L CA -0.498 54.307 54.840 -0.059 0.000 0.818 224 L CB 2.723 44.723 42.059 -0.099 0.000 1.296 224 L HN 0.615 nan 8.230 nan 0.000 0.427 225 E N 2.660 122.716 120.200 -0.241 0.000 2.165 225 E HA 0.392 4.354 4.350 -0.647 0.000 0.266 225 E C -1.677 174.812 176.600 -0.185 0.000 0.889 225 E CA -0.785 55.349 56.400 -0.444 0.000 0.756 225 E CB 1.429 30.769 29.700 -0.601 0.000 1.131 225 E HN 0.260 nan 8.360 nan 0.000 0.411 226 L N 7.339 128.460 121.223 -0.169 0.000 2.295 226 L HA 0.417 4.369 4.340 -0.647 0.000 0.281 226 L C -2.327 174.528 176.870 -0.024 0.000 1.018 226 L CA -2.531 52.245 54.840 -0.107 0.000 0.841 226 L CB 1.001 42.893 42.059 -0.279 0.000 1.218 226 L HN 0.487 nan 8.230 nan 0.000 0.424 227 P HA 0.215 nan 4.420 nan 0.000 0.284 227 P C -0.804 176.565 177.300 0.116 0.000 1.253 227 P CA -0.291 62.837 63.100 0.047 0.000 0.800 227 P CB 0.671 32.394 31.700 0.039 0.000 0.961 228 Y N 0.674 121.130 120.300 0.261 0.000 2.289 228 Y HA 0.153 4.316 4.550 -0.645 0.000 0.332 228 Y C 1.719 177.671 175.900 0.087 0.000 1.324 228 Y CA 0.205 58.424 58.100 0.199 0.000 1.478 228 Y CB -0.399 38.108 38.460 0.078 0.000 1.378 228 Y HN 0.510 nan 8.280 nan 0.000 0.558 229 H N -0.920 118.351 119.070 0.335 0.000 3.034 229 H HA 0.300 4.468 4.556 -0.647 0.000 0.324 229 H C 1.146 176.577 175.328 0.171 0.000 1.015 229 H CA -0.061 56.115 56.048 0.215 0.000 1.429 229 H CB -0.060 29.818 29.762 0.194 0.000 1.429 229 H HN 0.836 nan 8.280 nan 0.000 0.585 230 G N 2.559 111.453 108.800 0.157 0.000 2.189 230 G HA2 -0.417 3.155 3.960 -0.647 0.000 0.267 230 G HA3 -0.417 3.155 3.960 -0.647 0.000 0.267 230 G C 0.498 175.394 174.900 -0.007 0.000 0.975 230 G CA 0.391 45.542 45.100 0.084 0.000 0.644 230 G HN 0.985 nan 8.290 nan 0.000 0.537 231 D N -1.952 118.437 120.400 -0.020 0.000 3.077 231 D HA -0.193 4.059 4.640 -0.647 0.000 0.212 231 D C 1.454 177.674 176.300 -0.132 0.000 1.125 231 D CA 1.766 55.743 54.000 -0.038 0.000 0.970 231 D CB -1.595 39.192 40.800 -0.021 0.000 1.110 231 D HN 0.593 nan 8.370 nan 0.000 0.419 232 T N -0.034 114.374 114.554 -0.242 0.000 2.777 232 T HA -0.014 3.948 4.350 -0.647 0.000 0.266 232 T C 1.345 175.746 174.700 -0.498 0.000 1.040 232 T CA 0.754 62.572 62.100 -0.469 0.000 1.141 232 T CB 0.401 68.862 68.868 -0.677 0.000 0.868 232 T HN 0.235 nan 8.240 nan 0.000 0.444 233 L N 0.271 121.312 121.223 -0.303 0.000 2.319 233 L HA 0.619 4.571 4.340 -0.647 0.000 0.267 233 L C -0.375 176.656 176.870 0.267 0.000 1.011 233 L CA -0.711 54.102 54.840 -0.046 0.000 0.818 233 L CB 2.077 44.105 42.059 -0.051 0.000 1.316 233 L HN -0.018 nan 8.230 nan 0.000 0.432 234 S N 1.279 117.195 115.700 0.359 0.000 2.569 234 S HA 0.595 4.677 4.470 -0.647 0.000 0.280 234 S C -0.909 174.000 174.600 0.515 0.000 1.111 234 S CA -0.606 57.803 58.200 0.349 0.000 0.887 234 S CB 2.406 65.713 63.200 0.178 0.000 1.095 234 S HN 0.576 nan 8.310 nan 0.000 0.476 235 M N 2.865 122.706 119.600 0.402 0.000 2.268 235 M HA 0.596 4.688 4.480 -0.647 0.000 0.344 235 M C -1.964 174.531 176.300 0.325 0.000 1.106 235 M CA -0.445 55.176 55.300 0.536 0.000 1.010 235 M CB 0.457 33.435 32.600 0.631 0.000 1.649 235 M HN 0.541 nan 8.290 nan 0.000 0.443 236 F N 5.102 125.250 119.950 0.330 0.000 2.436 236 F HA 0.521 4.660 4.527 -0.647 0.000 0.340 236 F C -0.560 175.409 175.800 0.281 0.000 1.113 236 F CA -0.549 57.604 58.000 0.255 0.000 1.022 236 F CB 1.164 40.332 39.000 0.279 0.000 1.128 236 F HN 0.372 nan 8.300 nan 0.000 0.466 237 I N 3.087 123.828 120.570 0.284 0.000 2.378 237 I HA 0.653 4.435 4.170 -0.647 0.000 0.291 237 I C -0.293 175.894 176.117 0.116 0.000 0.992 237 I CA -0.320 61.123 61.300 0.238 0.000 1.154 237 I CB 1.529 39.565 38.000 0.060 0.000 1.315 237 I HN 0.658 nan 8.210 nan 0.000 0.448 238 A N 5.097 128.003 122.820 0.143 0.000 2.393 238 A HA 1.004 4.936 4.320 -0.647 0.000 0.306 238 A C -1.010 176.649 177.584 0.126 0.000 1.050 238 A CA -0.464 51.580 52.037 0.012 0.000 0.724 238 A CB 1.558 20.424 19.000 -0.223 0.000 1.248 238 A HN 0.905 nan 8.150 nan 0.000 0.424 239 A N 2.842 125.740 122.820 0.130 0.000 2.577 239 A HA 0.821 4.753 4.320 -0.647 0.000 0.297 239 A C -3.322 174.371 177.584 0.182 0.000 1.060 239 A CA -1.325 50.800 52.037 0.146 0.000 0.697 239 A CB 1.112 20.203 19.000 0.151 0.000 1.281 239 A HN 0.496 nan 8.150 nan 0.000 0.402 240 P HA 0.122 nan 4.420 nan 0.000 0.269 240 P C 0.277 177.701 177.300 0.207 0.000 1.209 240 P CA 0.177 63.405 63.100 0.214 0.000 0.776 240 P CB 0.321 32.084 31.700 0.105 0.000 0.876 241 Y N 2.864 123.266 120.300 0.169 0.000 2.114 241 Y HA -0.175 3.987 4.550 -0.647 0.000 0.284 241 Y C 1.058 176.998 175.900 0.067 0.000 1.143 241 Y CA 1.343 59.514 58.100 0.119 0.000 1.135 241 Y CB 0.031 38.581 38.460 0.150 0.000 0.980 241 Y HN 0.361 nan 8.280 nan 0.000 0.499 242 E N 0.947 121.265 120.200 0.197 0.000 2.259 242 E HA 0.088 4.050 4.350 -0.647 0.000 0.281 242 E C 0.430 177.014 176.600 -0.026 0.000 1.027 242 E CA -0.587 55.853 56.400 0.066 0.000 0.838 242 E CB 1.412 31.209 29.700 0.162 0.000 1.066 242 E HN 0.211 nan 8.360 nan 0.000 0.401 243 K N 2.340 122.683 120.400 -0.095 0.000 2.160 243 K HA -0.188 3.744 4.320 -0.647 0.000 0.206 243 K C 1.576 178.128 176.600 -0.080 0.000 1.047 243 K CA 1.552 57.766 56.287 -0.120 0.000 0.930 243 K CB -0.005 32.385 32.500 -0.185 0.000 0.720 243 K HN 0.659 nan 8.250 nan 0.000 0.450 244 E N 0.784 120.949 120.200 -0.057 0.000 2.274 244 E HA -0.056 3.906 4.350 -0.647 0.000 0.194 244 E C 0.682 177.237 176.600 -0.074 0.000 0.996 244 E CA 0.282 56.652 56.400 -0.051 0.000 0.840 244 E CB -0.344 29.339 29.700 -0.029 0.000 0.772 244 E HN -0.071 nan 8.360 nan 0.000 0.491 245 V N 5.329 125.185 119.914 -0.098 0.000 2.455 245 V HA 0.138 3.870 4.120 -0.647 0.000 0.273 245 V C -1.913 174.124 176.094 -0.096 0.000 1.045 245 V CA -1.360 60.844 62.300 -0.161 0.000 0.976 245 V CB 0.935 32.614 31.823 -0.239 0.000 0.993 245 V HN 0.142 nan 8.190 nan 0.000 0.475 246 P HA 0.145 nan 4.420 nan 0.000 0.274 246 P C 1.007 178.280 177.300 -0.045 0.000 1.237 246 P CA -0.402 62.666 63.100 -0.053 0.000 0.793 246 P CB 1.282 32.954 31.700 -0.046 0.000 0.977 247 L N 1.697 122.906 121.223 -0.024 0.000 2.187 247 L HA -0.188 3.764 4.340 -0.647 0.000 0.213 247 L C 2.257 179.110 176.870 -0.030 0.000 1.100 247 L CA 2.294 57.126 54.840 -0.014 0.000 0.765 247 L CB -0.661 41.404 42.059 0.009 0.000 0.904 247 L HN 0.479 nan 8.230 nan 0.000 0.437 248 S N -0.288 115.390 115.700 -0.036 0.000 2.420 248 S HA -0.203 3.879 4.470 -0.647 0.000 0.237 248 S C 2.070 176.645 174.600 -0.042 0.000 1.023 248 S CA 0.947 59.121 58.200 -0.044 0.000 0.991 248 S CB -0.525 62.648 63.200 -0.045 0.000 0.792 248 S HN 0.476 nan 8.310 nan 0.000 0.488 249 A N 1.326 124.118 122.820 -0.047 0.000 1.972 249 A HA 0.098 4.030 4.320 -0.647 0.000 0.219 249 A C 2.144 179.689 177.584 -0.066 0.000 1.169 249 A CA 1.402 53.416 52.037 -0.039 0.000 0.635 249 A CB -0.587 18.387 19.000 -0.043 0.000 0.810 249 A HN 0.474 nan 8.150 nan 0.000 0.446 250 L N -0.885 120.274 121.223 -0.107 0.000 2.102 250 L HA -0.037 3.915 4.340 -0.647 0.000 0.202 250 L C 2.888 179.742 176.870 -0.027 0.000 1.076 250 L CA 2.332 57.081 54.840 -0.152 0.000 0.761 250 L CB -1.062 40.879 42.059 -0.197 0.000 0.921 250 L HN 0.523 nan 8.230 nan 0.000 0.444 251 T N -1.831 112.721 114.554 -0.004 0.000 2.915 251 T HA -0.145 3.817 4.350 -0.647 0.000 0.269 251 T C 1.734 176.424 174.700 -0.017 0.000 1.071 251 T CA 1.285 63.396 62.100 0.018 0.000 1.132 251 T CB -0.305 68.561 68.868 -0.002 0.000 0.878 251 T HN 0.216 nan 8.240 nan 0.000 0.479 252 N N 1.542 120.225 118.700 -0.027 0.000 2.453 252 N HA 0.043 4.395 4.740 -0.647 0.000 0.183 252 N C 1.571 177.079 175.510 -0.004 0.000 1.041 252 N CA 1.283 54.318 53.050 -0.025 0.000 0.900 252 N CB -0.273 38.202 38.487 -0.020 0.000 0.961 252 N HN 0.838 nan 8.380 nan 0.000 0.443 253 I N -3.499 117.077 120.570 0.011 0.000 4.081 253 I HA 0.249 4.031 4.170 -0.647 0.000 0.333 253 I C -0.356 175.774 176.117 0.021 0.000 1.413 253 I CA -0.475 60.843 61.300 0.031 0.000 1.110 253 I CB 0.180 38.220 38.000 0.067 0.000 1.082 253 I HN -0.267 nan 8.210 nan 0.000 0.402 254 L N 2.962 124.193 121.223 0.013 0.000 2.490 254 L HA 0.339 4.291 4.340 -0.647 0.000 0.274 254 L C 0.513 177.354 176.870 -0.049 0.000 1.201 254 L CA 0.520 55.351 54.840 -0.016 0.000 0.869 254 L CB 0.720 42.813 42.059 0.055 0.000 1.123 254 L HN 0.654 nan 8.230 nan 0.000 0.484 255 S N 1.751 117.377 115.700 -0.122 0.000 2.588 255 S HA 0.705 4.787 4.470 -0.647 0.000 0.269 255 S C 0.512 175.002 174.600 -0.183 0.000 1.157 255 S CA -0.300 57.835 58.200 -0.108 0.000 0.824 255 S CB 1.065 64.227 63.200 -0.065 0.000 1.126 255 S HN 0.664 nan 8.310 nan 0.000 0.464 256 A N 1.104 123.831 122.820 -0.155 0.000 1.908 256 A HA -0.157 3.775 4.320 -0.647 0.000 0.218 256 A C 2.184 179.662 177.584 -0.176 0.000 1.181 256 A CA 2.389 54.313 52.037 -0.188 0.000 0.627 256 A CB -1.350 17.521 19.000 -0.216 0.000 0.818 256 A HN 1.108 nan 8.150 nan 0.000 0.445 257 Q N -0.495 119.247 119.800 -0.097 0.000 2.167 257 Q HA -0.059 3.893 4.340 -0.647 0.000 0.202 257 Q C 1.672 177.608 176.000 -0.106 0.000 0.970 257 Q CA 1.758 57.550 55.803 -0.019 0.000 0.855 257 Q CB -0.700 28.089 28.738 0.086 0.000 0.911 257 Q HN 0.434 nan 8.270 nan 0.000 0.438 258 L N 0.020 121.104 121.223 -0.232 0.000 2.056 258 L HA -0.079 3.873 4.340 -0.647 0.000 0.207 258 L C 1.923 178.201 176.870 -0.987 0.000 1.078 258 L CA 1.450 56.011 54.840 -0.465 0.000 0.749 258 L CB -0.503 41.270 42.059 -0.476 0.000 0.901 258 L HN 0.309 nan 8.230 nan 0.000 0.433 259 I N -0.296 119.732 120.570 -0.903 0.000 2.163 259 I HA -0.259 3.523 4.170 -0.647 0.000 0.243 259 I C 2.675 178.523 176.117 -0.448 0.000 1.085 259 I CA 1.808 62.586 61.300 -0.870 0.000 1.347 259 I CB -1.976 35.690 38.000 -0.556 0.000 1.044 259 I HN 0.520 nan 8.210 nan 0.000 0.408 260 S N -0.874 114.675 115.700 -0.252 0.000 2.436 260 S HA -0.180 3.902 4.470 -0.647 0.000 0.228 260 S C 2.014 176.656 174.600 0.069 0.000 1.014 260 S CA 0.796 58.957 58.200 -0.064 0.000 0.950 260 S CB -0.999 62.193 63.200 -0.014 0.000 0.784 260 S HN 0.588 nan 8.310 nan 0.000 0.504 261 H N -0.283 118.741 119.070 -0.078 0.000 2.353 261 H HA -0.105 4.063 4.556 -0.647 0.000 0.300 261 H C 1.698 177.148 175.328 0.203 0.000 1.090 261 H CA 1.591 57.693 56.048 0.090 0.000 1.327 261 H CB -0.066 29.776 29.762 0.134 0.000 1.383 261 H HN 0.449 nan 8.280 nan 0.000 0.508 262 W N 1.398 122.640 121.300 -0.096 0.000 2.333 262 W HA -0.175 4.097 4.660 -0.647 0.000 0.316 262 W C 2.619 179.192 176.519 0.090 0.000 1.215 262 W CA 1.314 58.484 57.345 -0.291 0.000 1.278 262 W CB -1.029 28.237 29.460 -0.324 0.000 1.154 262 W HN 0.245 nan 8.180 nan 0.000 0.486 263 K N 0.343 120.993 120.400 0.416 0.000 2.026 263 K HA -0.088 3.844 4.320 -0.647 0.000 0.208 263 K C 2.267 179.047 176.600 0.301 0.000 1.048 263 K CA 2.262 58.812 56.287 0.438 0.000 0.929 263 K CB -1.243 31.494 32.500 0.396 0.000 0.713 263 K HN 0.010 nan 8.250 nan 0.000 0.439 264 G N -0.032 108.926 108.800 0.264 0.000 2.470 264 G HA2 -0.241 3.331 3.960 -0.647 0.000 0.220 264 G HA3 -0.241 3.331 3.960 -0.647 0.000 0.220 264 G C 1.311 176.359 174.900 0.247 0.000 1.121 264 G CA 0.801 46.033 45.100 0.221 0.000 0.766 264 G HN 0.495 nan 8.290 nan 0.000 0.553 265 N N -0.495 118.406 118.700 0.335 0.000 2.336 265 N HA 0.199 4.551 4.740 -0.647 0.000 0.189 265 N C 0.501 176.147 175.510 0.226 0.000 1.113 265 N CA -0.335 52.904 53.050 0.314 0.000 0.858 265 N CB 0.068 38.842 38.487 0.478 0.000 0.970 265 N HN 0.290 nan 8.380 nan 0.000 0.471 266 M N 0.531 120.254 119.600 0.205 0.000 2.242 266 M HA 0.076 4.168 4.480 -0.647 0.000 0.344 266 M C -0.235 176.139 176.300 0.124 0.000 1.140 266 M CA 0.699 56.089 55.300 0.149 0.000 1.160 266 M CB 1.321 34.009 32.600 0.146 0.000 1.491 266 M HN -0.187 nan 8.290 nan 0.000 0.459 267 T N 3.230 117.857 114.554 0.122 0.000 2.876 267 T HA 0.428 4.390 4.350 -0.647 0.000 0.289 267 T C -0.599 174.169 174.700 0.113 0.000 1.014 267 T CA -0.830 61.333 62.100 0.105 0.000 0.986 267 T CB 1.291 70.219 68.868 0.099 0.000 1.021 267 T HN 0.550 nan 8.240 nan 0.000 0.458 268 R N 2.697 123.241 120.500 0.073 0.000 2.316 268 R HA 0.516 4.468 4.340 -0.647 0.000 0.314 268 R C -0.770 175.553 176.300 0.039 0.000 1.069 268 R CA -0.160 55.972 56.100 0.052 0.000 0.959 268 R CB 0.244 30.550 30.300 0.009 0.000 0.987 268 R HN 0.432 nan 8.270 nan 0.000 0.446 269 L N 5.104 126.357 121.223 0.048 0.000 2.401 269 L HA 0.477 4.429 4.340 -0.647 0.000 0.266 269 L C -2.291 174.567 176.870 -0.020 0.000 0.991 269 L CA -2.530 52.320 54.840 0.017 0.000 0.818 269 L CB 2.748 44.826 42.059 0.032 0.000 1.321 269 L HN 0.412 nan 8.230 nan 0.000 0.413 270 P HA 0.308 nan 4.420 nan 0.000 0.282 270 P C -1.179 176.099 177.300 -0.037 0.000 1.262 270 P CA -0.368 62.686 63.100 -0.076 0.000 0.773 270 P CB 1.077 32.733 31.700 -0.074 0.000 0.879 271 R N 2.243 122.750 120.500 0.011 0.000 2.680 271 R HA 0.458 4.410 4.340 -0.647 0.000 0.269 271 R C -1.096 175.287 176.300 0.138 0.000 1.026 271 R CA -1.142 55.004 56.100 0.076 0.000 0.889 271 R CB 1.620 32.005 30.300 0.141 0.000 1.241 271 R HN 0.371 nan 8.270 nan 0.000 0.463 272 L N 2.969 124.238 121.223 0.077 0.000 2.265 272 L HA 0.475 4.427 4.340 -0.647 0.000 0.289 272 L C -1.216 175.693 176.870 0.066 0.000 1.033 272 L CA -0.681 54.212 54.840 0.088 0.000 0.814 272 L CB 0.767 42.846 42.059 0.033 0.000 1.203 272 L HN 0.541 nan 8.230 nan 0.000 0.423 273 L N 6.425 127.701 121.223 0.089 0.000 2.282 273 L HA 0.613 4.565 4.340 -0.647 0.000 0.288 273 L C -0.966 175.931 176.870 0.045 0.000 1.033 273 L CA -0.151 54.659 54.840 -0.050 0.000 0.807 273 L CB 1.731 43.578 42.059 -0.354 0.000 1.209 273 L HN 0.422 nan 8.230 nan 0.000 0.423 274 V N 6.699 126.620 119.914 0.011 0.000 2.328 274 V HA 0.496 4.228 4.120 -0.647 0.000 0.278 274 V C -0.540 175.527 176.094 -0.044 0.000 1.021 274 V CA -0.441 61.885 62.300 0.044 0.000 0.838 274 V CB 1.270 33.143 31.823 0.083 0.000 0.999 274 V HN 0.680 nan 8.190 nan 0.000 0.447 275 L N 8.751 129.924 121.223 -0.084 0.000 2.409 275 L HA 0.732 4.684 4.340 -0.647 0.000 0.272 275 L C -2.696 174.093 176.870 -0.134 0.000 0.980 275 L CA -1.723 53.016 54.840 -0.169 0.000 0.826 275 L CB 2.718 44.635 42.059 -0.235 0.000 1.268 275 L HN 0.340 nan 8.230 nan 0.000 0.407 276 P HA 0.090 nan 4.420 nan 0.000 0.268 276 P C -1.081 176.301 177.300 0.137 0.000 1.204 276 P CA -0.046 63.100 63.100 0.077 0.000 0.768 276 P CB 0.322 32.145 31.700 0.206 0.000 0.842 277 K N 3.107 123.520 120.400 0.021 0.000 2.380 277 K HA 0.335 4.267 4.320 -0.647 0.000 0.267 277 K C 0.089 176.792 176.600 0.171 0.000 0.990 277 K CA 0.537 56.818 56.287 -0.010 0.000 0.946 277 K CB 0.017 32.478 32.500 -0.066 0.000 0.937 277 K HN 0.513 nan 8.250 nan 0.000 0.491 278 F N -2.785 117.142 119.950 -0.038 0.000 2.678 278 F HA 0.407 4.546 4.527 -0.647 0.000 0.308 278 F C -1.188 174.574 175.800 -0.062 0.000 1.118 278 F CA -1.014 56.957 58.000 -0.048 0.000 0.959 278 F CB 1.440 40.421 39.000 -0.032 0.000 1.305 278 F HN 0.193 nan 8.300 nan 0.000 0.443 279 S N 3.561 119.328 115.700 0.111 0.000 2.774 279 S HA 0.680 4.762 4.470 -0.647 0.000 0.297 279 S C -0.983 173.698 174.600 0.135 0.000 1.143 279 S CA -0.599 57.628 58.200 0.045 0.000 1.090 279 S CB 0.873 64.080 63.200 0.012 0.000 1.019 279 S HN 0.634 nan 8.310 nan 0.000 0.482 280 L N 2.522 123.855 121.223 0.183 0.000 2.331 280 L HA 0.676 4.628 4.340 -0.647 0.000 0.275 280 L C 0.040 177.007 176.870 0.163 0.000 1.022 280 L CA -0.547 54.407 54.840 0.190 0.000 0.812 280 L CB 1.754 43.976 42.059 0.271 0.000 1.257 280 L HN 0.605 nan 8.230 nan 0.000 0.435 281 E N 1.214 121.505 120.200 0.153 0.000 2.274 281 E HA 0.437 4.399 4.350 -0.647 0.000 0.269 281 E C -1.718 174.974 176.600 0.154 0.000 0.891 281 E CA -0.401 56.091 56.400 0.155 0.000 0.784 281 E CB 2.028 31.808 29.700 0.132 0.000 1.225 281 E HN 0.595 nan 8.360 nan 0.000 0.412 282 T N 3.020 117.682 114.554 0.180 0.000 2.881 282 T HA 0.300 4.262 4.350 -0.647 0.000 0.290 282 T C -0.955 173.851 174.700 0.176 0.000 1.000 282 T CA -0.766 61.439 62.100 0.175 0.000 0.978 282 T CB 1.587 70.583 68.868 0.213 0.000 0.997 282 T HN 0.483 nan 8.240 nan 0.000 0.443 283 E N 2.395 122.683 120.200 0.147 0.000 2.133 283 E HA 0.548 4.510 4.350 -0.647 0.000 0.274 283 E C -1.320 175.364 176.600 0.139 0.000 0.930 283 E CA -0.670 55.814 56.400 0.141 0.000 0.770 283 E CB 0.918 30.686 29.700 0.114 0.000 1.104 283 E HN 0.336 nan 8.360 nan 0.000 0.403 284 V N 4.609 124.625 119.914 0.169 0.000 2.409 284 V HA 0.123 3.855 4.120 -0.647 0.000 0.291 284 V C -0.248 175.928 176.094 0.138 0.000 1.020 284 V CA -0.886 61.517 62.300 0.172 0.000 0.848 284 V CB 1.630 33.632 31.823 0.299 0.000 0.990 284 V HN 0.732 nan 8.190 nan 0.000 0.430 285 D N 4.278 124.727 120.400 0.082 0.000 2.338 285 D HA 0.110 4.362 4.640 -0.647 0.000 0.255 285 D C 0.636 176.963 176.300 0.044 0.000 1.237 285 D CA -0.300 53.731 54.000 0.051 0.000 0.883 285 D CB 1.577 42.380 40.800 0.005 0.000 1.087 285 D HN 0.240 nan 8.370 nan 0.000 0.485 286 L N 4.535 125.812 121.223 0.090 0.000 2.478 286 L HA 0.032 3.984 4.340 -0.647 0.000 0.223 286 L C 2.290 179.181 176.870 0.035 0.000 1.140 286 L CA 0.683 55.600 54.840 0.128 0.000 0.842 286 L CB -0.976 41.219 42.059 0.226 0.000 0.953 286 L HN 0.506 nan 8.230 nan 0.000 0.452 287 R N 0.332 120.726 120.500 -0.177 0.000 2.088 287 R HA -0.248 3.704 4.340 -0.647 0.000 0.232 287 R C 2.120 178.173 176.300 -0.412 0.000 1.136 287 R CA 1.960 57.644 56.100 -0.692 0.000 0.926 287 R CB 0.113 29.886 30.300 -0.878 0.000 0.837 287 R HN 0.165 nan 8.270 nan 0.000 0.429 288 K N 0.007 120.264 120.400 -0.239 0.000 2.009 288 K HA -0.077 3.855 4.320 -0.647 0.000 0.210 288 K C -0.688 175.864 176.600 -0.080 0.000 1.049 288 K CA 1.659 57.861 56.287 -0.142 0.000 0.929 288 K CB -1.412 31.021 32.500 -0.112 0.000 0.714 288 K HN 0.308 nan 8.250 nan 0.000 0.440 289 P HA -0.157 nan 4.420 nan 0.000 0.216 289 P C 1.155 178.457 177.300 0.003 0.000 1.153 289 P CA 1.241 64.303 63.100 -0.064 0.000 0.858 289 P CB 0.018 31.664 31.700 -0.089 0.000 0.789 290 L N -0.742 120.531 121.223 0.083 0.000 2.056 290 L HA -0.146 3.806 4.340 -0.647 0.000 0.207 290 L C 2.429 179.416 176.870 0.194 0.000 1.078 290 L CA 1.471 56.432 54.840 0.201 0.000 0.749 290 L CB -0.901 41.378 42.059 0.367 0.000 0.901 290 L HN 0.012 nan 8.230 nan 0.000 0.433 291 E N 0.439 120.729 120.200 0.150 0.000 2.085 291 E HA -0.232 3.730 4.350 -0.647 0.000 0.194 291 E C 1.807 178.446 176.600 0.065 0.000 0.994 291 E CA 1.467 57.937 56.400 0.116 0.000 0.801 291 E CB -0.227 29.495 29.700 0.037 0.000 0.743 291 E HN 0.575 nan 8.360 nan 0.000 0.453 292 N N 0.288 119.004 118.700 0.027 0.000 2.364 292 N HA -0.117 4.235 4.740 -0.647 0.000 0.183 292 N C 1.222 176.747 175.510 0.025 0.000 1.022 292 N CA 0.436 53.490 53.050 0.008 0.000 0.883 292 N CB 0.056 38.528 38.487 -0.025 0.000 0.965 292 N HN 0.103 nan 8.380 nan 0.000 0.438 293 L N -0.596 120.660 121.223 0.055 0.000 2.653 293 L HA 0.255 4.207 4.340 -0.647 0.000 0.231 293 L C 1.141 178.066 176.870 0.092 0.000 1.153 293 L CA -0.118 54.769 54.840 0.079 0.000 0.933 293 L CB 0.401 42.531 42.059 0.118 0.000 1.175 293 L HN 0.206 nan 8.230 nan 0.000 0.473 294 G N -0.105 108.743 108.800 0.080 0.000 2.179 294 G HA2 -0.270 3.302 3.960 -0.647 0.000 0.220 294 G HA3 -0.270 3.302 3.960 -0.647 0.000 0.220 294 G C 0.314 175.256 174.900 0.071 0.000 0.990 294 G CA -0.378 44.761 45.100 0.064 0.000 0.646 294 G HN 0.235 nan 8.290 nan 0.000 0.517 295 M N 2.938 122.605 119.600 0.112 0.000 3.347 295 M HA 0.281 4.372 4.480 -0.647 0.000 0.260 295 M C 1.799 178.213 176.300 0.191 0.000 1.362 295 M CA 0.614 55.981 55.300 0.113 0.000 1.497 295 M CB 0.358 33.036 32.600 0.131 0.000 1.080 295 M HN 0.355 nan 8.290 nan 0.000 0.592 296 T N -3.842 110.799 114.554 0.144 0.000 2.976 296 T HA 0.006 3.968 4.350 -0.647 0.000 0.257 296 T C 1.182 175.984 174.700 0.171 0.000 1.051 296 T CA 0.675 62.889 62.100 0.190 0.000 1.141 296 T CB 0.031 68.965 68.868 0.111 0.000 0.881 296 T HN 0.292 nan 8.240 nan 0.000 0.461 297 D N 2.356 122.798 120.400 0.070 0.000 2.144 297 D HA -0.076 4.176 4.640 -0.647 0.000 0.199 297 D C 2.207 178.522 176.300 0.025 0.000 0.984 297 D CA 1.496 55.516 54.000 0.033 0.000 0.834 297 D CB -0.484 40.303 40.800 -0.022 0.000 0.955 297 D HN 0.651 nan 8.370 nan 0.000 0.465 298 M N -1.519 118.041 119.600 -0.068 0.000 2.267 298 M HA -0.096 3.996 4.480 -0.647 0.000 0.263 298 M C 0.966 177.214 176.300 -0.086 0.000 1.063 298 M CA 1.463 56.700 55.300 -0.106 0.000 1.090 298 M CB -0.478 31.947 32.600 -0.291 0.000 1.392 298 M HN -0.134 nan 8.290 nan 0.000 0.422 299 F N 0.451 120.506 119.950 0.175 0.000 2.727 299 F HA 0.346 4.486 4.527 -0.645 0.000 0.302 299 F C 0.829 176.703 175.800 0.124 0.000 1.097 299 F CA -0.218 57.890 58.000 0.180 0.000 1.330 299 F CB 0.068 39.133 39.000 0.109 0.000 1.084 299 F HN -0.039 nan 8.300 nan 0.000 0.578 300 R N 1.539 122.142 120.500 0.172 0.000 2.207 300 R HA 0.104 4.056 4.340 -0.647 0.000 0.334 300 R C 1.355 177.522 176.300 -0.222 0.000 1.013 300 R CA -0.061 56.034 56.100 -0.008 0.000 0.858 300 R CB 1.051 31.378 30.300 0.045 0.000 1.094 300 R HN 0.317 nan 8.270 nan 0.000 0.457 301 Q N 2.380 121.808 119.800 -0.621 0.000 2.082 301 Q HA -0.228 3.724 4.340 -0.647 0.000 0.211 301 Q C 0.463 176.055 176.000 -0.680 0.000 1.002 301 Q CA 2.291 57.474 55.803 -1.032 0.000 0.868 301 Q CB 0.055 28.106 28.738 -1.146 0.000 0.931 301 Q HN 0.565 nan 8.270 nan 0.000 0.414 302 F N -0.854 119.031 119.950 -0.108 0.000 2.505 302 F HA 0.117 4.257 4.527 -0.645 0.000 0.289 302 F C 2.239 178.030 175.800 -0.014 0.000 1.101 302 F CA 0.277 58.252 58.000 -0.041 0.000 1.446 302 F CB -0.020 38.958 39.000 -0.037 0.000 1.123 302 F HN 0.033 nan 8.300 nan 0.000 0.564 303 Q N 0.897 120.774 119.800 0.129 0.000 2.172 303 Q HA 0.098 4.050 4.340 -0.647 0.000 0.200 303 Q C 1.117 177.147 176.000 0.049 0.000 0.964 303 Q CA 0.613 56.463 55.803 0.079 0.000 0.855 303 Q CB -0.220 28.555 28.738 0.062 0.000 0.918 303 Q HN 0.300 nan 8.270 nan 0.000 0.444 304 A N 1.556 124.412 122.820 0.062 0.000 2.531 304 A HA 0.002 3.934 4.320 -0.647 0.000 0.236 304 A C -0.250 177.367 177.584 0.056 0.000 1.062 304 A CA 0.131 52.220 52.037 0.086 0.000 0.760 304 A CB 0.197 19.366 19.000 0.282 0.000 0.995 304 A HN 0.110 nan 8.150 nan 0.000 0.501 305 D N 1.845 122.174 120.400 -0.118 0.000 2.454 305 D HA 0.439 4.690 4.640 -0.647 0.000 0.247 305 D C -1.218 174.871 176.300 -0.352 0.000 1.129 305 D CA -0.218 53.699 54.000 -0.138 0.000 0.877 305 D CB 0.154 40.871 40.800 -0.137 0.000 1.082 305 D HN 0.299 nan 8.370 nan 0.000 0.537 306 F N 1.689 121.606 119.950 -0.055 0.000 2.908 306 F HA 0.100 4.237 4.527 -0.650 0.000 0.328 306 F C 2.084 177.831 175.800 -0.089 0.000 1.211 306 F CA -0.298 57.654 58.000 -0.081 0.000 1.291 306 F CB 0.722 39.657 39.000 -0.108 0.000 0.962 306 F HN 0.234 nan 8.300 nan 0.000 0.505 307 T N -4.514 110.057 114.554 0.028 0.000 3.072 307 T HA -0.104 3.858 4.350 -0.647 0.000 0.266 307 T C 1.983 176.683 174.700 0.001 0.000 1.127 307 T CA 1.162 63.269 62.100 0.011 0.000 1.107 307 T CB -0.123 68.746 68.868 0.002 0.000 0.910 307 T HN 0.152 nan 8.240 nan 0.000 0.513 308 S N 0.850 116.554 115.700 0.007 0.000 2.461 308 S HA 0.164 4.246 4.470 -0.647 0.000 0.228 308 S C 1.605 176.183 174.600 -0.036 0.000 1.005 308 S CA 0.402 58.632 58.200 0.049 0.000 0.942 308 S CB -0.218 63.053 63.200 0.118 0.000 0.776 308 S HN 0.421 nan 8.310 nan 0.000 0.514 309 L N 0.365 121.470 121.223 -0.198 0.000 2.189 309 L HA 0.386 4.337 4.340 -0.647 0.000 0.199 309 L C 0.513 177.172 176.870 -0.352 0.000 1.074 309 L CA 1.048 55.528 54.840 -0.600 0.000 0.783 309 L CB 0.067 41.809 42.059 -0.528 0.000 0.955 309 L HN 0.161 nan 8.230 nan 0.000 0.460 310 S N -1.549 114.055 115.700 -0.160 0.000 2.533 310 S HA 0.398 4.480 4.470 -0.647 0.000 0.271 310 S C -0.548 174.033 174.600 -0.032 0.000 1.143 310 S CA -0.051 58.094 58.200 -0.092 0.000 0.891 310 S CB 1.100 64.241 63.200 -0.099 0.000 1.105 310 S HN 0.457 nan 8.310 nan 0.000 0.468 311 D N 1.913 122.304 120.400 -0.016 0.000 2.423 311 D HA 0.136 4.388 4.640 -0.647 0.000 0.212 311 D C 0.414 176.720 176.300 0.010 0.000 1.060 311 D CA 0.177 54.178 54.000 0.003 0.000 0.872 311 D CB -0.002 40.801 40.800 0.005 0.000 1.012 311 D HN 0.328 nan 8.370 nan 0.000 0.503 312 Q N 1.421 121.224 119.800 0.005 0.000 2.361 312 Q HA 0.275 4.227 4.340 -0.647 0.000 0.250 312 Q C -0.916 175.091 176.000 0.012 0.000 1.023 312 Q CA 0.161 55.971 55.803 0.011 0.000 0.915 312 Q CB 0.116 28.859 28.738 0.008 0.000 1.238 312 Q HN 0.616 nan 8.270 nan 0.000 0.451 313 E N 3.166 123.381 120.200 0.026 0.000 2.649 313 E HA 0.425 4.387 4.350 -0.647 0.000 0.308 313 E C -2.793 173.840 176.600 0.054 0.000 1.017 313 E CA -1.361 55.056 56.400 0.028 0.000 0.848 313 E CB 0.457 30.171 29.700 0.022 0.000 1.240 313 E HN 0.238 nan 8.360 nan 0.000 0.421 314 P HA 0.407 nan 4.420 nan 0.000 0.297 314 P C -1.147 176.157 177.300 0.006 0.000 1.331 314 P CA -0.468 62.649 63.100 0.029 0.000 0.803 314 P CB 0.826 32.516 31.700 -0.016 0.000 0.929 315 L N 4.516 125.764 121.223 0.042 0.000 2.438 315 L HA 0.497 4.449 4.340 -0.647 0.000 0.270 315 L C -0.676 176.244 176.870 0.083 0.000 0.972 315 L CA -0.548 54.295 54.840 0.005 0.000 0.831 315 L CB 1.838 43.880 42.059 -0.027 0.000 1.273 315 L HN 0.746 nan 8.230 nan 0.000 0.405 316 H N 1.471 120.402 119.070 -0.232 0.000 2.990 316 H HA 0.556 4.725 4.556 -0.645 0.000 0.343 316 H C -1.492 173.617 175.328 -0.365 0.000 1.270 316 H CA -1.025 54.901 56.048 -0.203 0.000 1.118 316 H CB 1.576 31.299 29.762 -0.064 0.000 1.861 316 H HN 0.126 nan 8.280 nan 0.000 0.544 317 V N 1.971 121.647 119.914 -0.396 0.000 2.439 317 V HA 0.273 4.005 4.120 -0.647 0.000 0.271 317 V C 1.188 177.122 176.094 -0.266 0.000 1.040 317 V CA 0.642 62.712 62.300 -0.383 0.000 1.002 317 V CB 0.078 31.745 31.823 -0.261 0.000 1.000 317 V HN 1.019 nan 8.190 nan 0.000 0.477 318 A N 5.407 127.974 122.820 -0.420 0.000 2.021 318 A HA 0.334 4.266 4.320 -0.647 0.000 0.216 318 A C 0.444 178.000 177.584 -0.047 0.000 1.163 318 A CA 0.758 52.632 52.037 -0.273 0.000 0.676 318 A CB 0.112 18.882 19.000 -0.384 0.000 0.818 318 A HN 0.625 nan 8.150 nan 0.000 0.453 319 L N -1.818 119.389 121.223 -0.026 0.000 2.588 319 L HA 0.667 4.619 4.340 -0.647 0.000 0.263 319 L C -1.202 175.725 176.870 0.095 0.000 0.935 319 L CA 0.021 54.882 54.840 0.035 0.000 0.891 319 L CB 1.758 43.800 42.059 -0.029 0.000 1.318 319 L HN 0.211 nan 8.230 nan 0.000 0.409 320 A N 5.941 128.857 122.820 0.161 0.000 2.385 320 A HA 0.850 4.782 4.320 -0.647 0.000 0.290 320 A C -1.798 175.876 177.584 0.149 0.000 1.094 320 A CA -0.332 51.815 52.037 0.182 0.000 0.729 320 A CB 0.893 20.081 19.000 0.313 0.000 1.194 320 A HN 0.611 nan 8.150 nan 0.000 0.442 321 L N 1.503 122.803 121.223 0.129 0.000 2.401 321 L HA 0.635 4.587 4.340 -0.647 0.000 0.266 321 L C -0.200 176.745 176.870 0.124 0.000 0.991 321 L CA -0.488 54.425 54.840 0.121 0.000 0.818 321 L CB 2.402 44.523 42.059 0.103 0.000 1.321 321 L HN 0.839 nan 8.230 nan 0.000 0.413 322 Q N 2.783 122.662 119.800 0.131 0.000 2.365 322 Q HA 0.510 4.462 4.340 -0.647 0.000 0.269 322 Q C -1.459 174.618 176.000 0.129 0.000 1.061 322 Q CA -0.831 55.034 55.803 0.103 0.000 0.816 322 Q CB 2.753 31.509 28.738 0.031 0.000 1.325 322 Q HN 0.520 nan 8.270 nan 0.000 0.446 323 K N 2.644 123.122 120.400 0.130 0.000 2.471 323 K HA 0.556 4.488 4.320 -0.647 0.000 0.252 323 K C -1.892 174.816 176.600 0.179 0.000 0.938 323 K CA -0.566 55.815 56.287 0.155 0.000 0.796 323 K CB 1.835 34.423 32.500 0.147 0.000 1.161 323 K HN 0.421 nan 8.250 nan 0.000 0.425 324 V N 3.666 123.703 119.914 0.205 0.000 2.735 324 V HA 0.491 4.223 4.120 -0.647 0.000 0.310 324 V C -0.902 175.325 176.094 0.220 0.000 1.061 324 V CA -0.879 61.569 62.300 0.246 0.000 0.913 324 V CB 1.888 33.891 31.823 0.301 0.000 1.005 324 V HN 0.750 nan 8.190 nan 0.000 0.428 325 K N 4.010 124.531 120.400 0.203 0.000 2.443 325 K HA 0.745 4.677 4.320 -0.647 0.000 0.252 325 K C -1.764 174.799 176.600 -0.061 0.000 0.933 325 K CA -0.560 55.820 56.287 0.155 0.000 0.792 325 K CB 2.324 34.994 32.500 0.283 0.000 1.185 325 K HN 0.725 nan 8.250 nan 0.000 0.425 326 I N 2.717 123.232 120.570 -0.091 0.000 2.608 326 I HA 0.350 4.132 4.170 -0.647 0.000 0.295 326 I C -1.235 174.724 176.117 -0.262 0.000 1.049 326 I CA -0.461 60.676 61.300 -0.272 0.000 1.063 326 I CB 1.768 39.667 38.000 -0.168 0.000 1.248 326 I HN 0.676 nan 8.210 nan 0.000 0.424 327 E N 6.627 126.580 120.200 -0.412 0.000 2.210 327 E HA 0.470 4.432 4.350 -0.647 0.000 0.266 327 E C -1.459 174.845 176.600 -0.493 0.000 0.883 327 E CA -0.797 55.384 56.400 -0.365 0.000 0.761 327 E CB 2.979 32.533 29.700 -0.243 0.000 1.156 327 E HN 0.278 nan 8.360 nan 0.000 0.412 328 V N 4.448 124.004 119.914 -0.598 0.000 2.376 328 V HA 0.318 4.050 4.120 -0.647 0.000 0.287 328 V C 0.031 175.933 176.094 -0.320 0.000 1.015 328 V CA -0.563 61.399 62.300 -0.563 0.000 0.834 328 V CB 0.960 32.115 31.823 -1.113 0.000 1.001 328 V HN 0.749 nan 8.190 nan 0.000 0.428 329 N N 2.568 121.199 118.700 -0.115 0.000 3.387 329 N HA 0.397 4.748 4.740 -0.647 0.000 0.322 329 N C 0.134 175.760 175.510 0.193 0.000 1.588 329 N CA -0.715 52.318 53.050 -0.028 0.000 0.778 329 N CB 1.977 40.435 38.487 -0.048 0.000 1.883 329 N HN 0.236 nan 8.380 nan 0.000 0.628 330 E N 0.395 120.691 120.200 0.161 0.000 2.208 330 E HA 0.014 3.976 4.350 -0.647 0.000 0.193 330 E C 0.312 177.209 176.600 0.495 0.000 0.988 330 E CA 0.415 57.012 56.400 0.328 0.000 0.828 330 E CB -0.054 29.773 29.700 0.212 0.000 0.763 330 E HN 0.446 nan 8.360 nan 0.000 0.478 331 S N -0.086 115.794 115.700 0.300 0.000 2.562 331 S HA 0.416 4.498 4.470 -0.647 0.000 0.281 331 S C 0.182 174.936 174.600 0.257 0.000 1.333 331 S CA 0.158 58.483 58.200 0.209 0.000 1.052 331 S CB 0.648 63.894 63.200 0.076 0.000 0.884 331 S HN 0.236 nan 8.310 nan 0.000 0.506 332 G N 3.001 111.927 108.800 0.209 0.000 3.025 332 G HA2 0.398 3.970 3.960 -0.647 0.000 0.305 332 G HA3 0.398 3.970 3.960 -0.647 0.000 0.305 332 G C -0.606 174.362 174.900 0.114 0.000 1.568 332 G CA -0.672 44.549 45.100 0.203 0.000 0.916 332 G HN 0.778 nan 8.290 nan 0.000 0.502 333 T N -0.383 114.202 114.554 0.051 0.000 2.739 333 T HA 0.464 4.426 4.350 -0.647 0.000 0.298 333 T C 0.449 175.126 174.700 -0.038 0.000 0.929 333 T CA -0.603 61.500 62.100 0.005 0.000 1.014 333 T CB 1.448 70.302 68.868 -0.023 0.000 0.914 333 T HN 1.027 nan 8.240 nan 0.000 0.509 334 V N 0.875 120.792 119.914 0.004 0.000 2.348 334 V HA 0.754 4.486 4.120 -0.647 0.000 0.270 334 V C 0.658 176.754 176.094 0.002 0.000 1.037 334 V CA -1.146 61.177 62.300 0.038 0.000 0.872 334 V CB 0.191 32.082 31.823 0.113 0.000 1.002 334 V HN 0.975 nan 8.190 nan 0.000 0.464 335 A N 3.774 126.550 122.820 -0.072 0.000 3.074 335 A HA 0.568 4.500 4.320 -0.647 0.000 0.251 335 A C 0.707 178.441 177.584 0.250 0.000 1.695 335 A CA 0.222 52.306 52.037 0.078 0.000 1.343 335 A CB -0.630 18.401 19.000 0.053 0.000 1.078 335 A HN 1.055 nan 8.150 nan 0.000 0.644 336 S N -0.317 115.485 115.700 0.171 0.000 2.561 336 S HA 0.439 4.521 4.470 -0.647 0.000 0.303 336 S C 1.131 175.784 174.600 0.088 0.000 1.110 336 S CA 0.064 58.352 58.200 0.147 0.000 1.034 336 S CB 1.194 64.486 63.200 0.153 0.000 1.010 336 S HN 0.777 nan 8.310 nan 0.000 0.482 337 S N 2.593 118.337 115.700 0.072 0.000 2.470 337 S HA 0.069 4.151 4.470 -0.647 0.000 0.222 337 S C 0.799 175.420 174.600 0.035 0.000 1.024 337 S CA 0.280 58.510 58.200 0.049 0.000 0.931 337 S CB -0.449 62.779 63.200 0.046 0.000 0.791 337 S HN 0.919 nan 8.310 nan 0.000 0.513 338 S N 3.249 118.969 115.700 0.033 0.000 2.429 338 S HA 0.241 4.323 4.470 -0.647 0.000 0.292 338 S C 1.381 175.989 174.600 0.015 0.000 1.183 338 S CA 0.039 58.250 58.200 0.020 0.000 1.088 338 S CB 0.111 63.320 63.200 0.015 0.000 1.018 338 S HN 0.566 nan 8.310 nan 0.000 0.511 339 T N 2.594 117.153 114.554 0.009 0.000 2.321 339 T HA -0.111 3.851 4.350 -0.647 0.000 0.224 339 T C 0.803 175.502 174.700 -0.002 0.000 1.498 339 T CA 1.123 63.225 62.100 0.004 0.000 1.144 339 T CB -1.177 67.690 68.868 -0.002 0.000 0.853 339 T HN 2.124 nan 8.240 nan 0.000 0.411 340 A N -0.121 122.690 122.820 -0.015 0.000 2.596 340 A HA 0.543 4.475 4.320 -0.647 0.000 0.305 340 A C -0.642 176.914 177.584 -0.047 0.000 1.032 340 A CA -0.580 51.439 52.037 -0.031 0.000 0.776 340 A CB 0.839 19.819 19.000 -0.033 0.000 1.253 340 A HN 1.485 nan 8.150 nan 0.000 0.402 341 V N 0.977 120.851 119.914 -0.066 0.000 2.509 341 V HA 0.857 4.589 4.120 -0.647 0.000 0.284 341 V C 0.191 176.216 176.094 -0.115 0.000 1.047 341 V CA -0.133 62.117 62.300 -0.085 0.000 0.952 341 V CB 0.498 32.265 31.823 -0.094 0.000 0.988 341 V HN 1.456 nan 8.190 nan 0.000 0.469 342 I N 1.861 122.367 120.570 -0.106 0.000 3.108 342 I HA 0.821 4.603 4.170 -0.647 0.000 0.312 342 I C -0.634 175.411 176.117 -0.120 0.000 1.095 342 I CA -1.275 59.953 61.300 -0.121 0.000 1.000 342 I CB 2.409 40.355 38.000 -0.091 0.000 1.229 342 I HN 0.342 nan 8.210 nan 0.000 0.454 343 V N 3.030 122.869 119.914 -0.125 0.000 2.334 343 V HA 0.190 3.922 4.120 -0.647 0.000 0.267 343 V C 1.146 177.195 176.094 -0.075 0.000 1.040 343 V CA 0.453 62.692 62.300 -0.103 0.000 0.866 343 V CB 0.428 32.184 31.823 -0.111 0.000 1.019 343 V HN 0.995 nan 8.190 nan 0.000 0.468 344 S N 4.005 119.667 115.700 -0.062 0.000 2.458 344 S HA 0.159 4.241 4.470 -0.647 0.000 0.223 344 S C 1.191 175.766 174.600 -0.042 0.000 1.019 344 S CA 0.431 58.602 58.200 -0.048 0.000 0.937 344 S CB 0.045 63.220 63.200 -0.041 0.000 0.788 344 S HN 0.937 nan 8.310 nan 0.000 0.511 345 A N 1.871 124.665 122.820 -0.044 0.000 2.546 345 A HA 0.323 4.255 4.320 -0.647 0.000 0.243 345 A C 0.965 178.528 177.584 -0.035 0.000 1.063 345 A CA -0.228 51.786 52.037 -0.037 0.000 0.757 345 A CB -0.027 18.950 19.000 -0.038 0.000 0.991 345 A HN 0.549 nan 8.150 nan 0.000 0.503 346 R N 1.620 122.102 120.500 -0.030 0.000 2.388 346 R HA 0.105 4.057 4.340 -0.647 0.000 0.247 346 R C 0.753 177.038 176.300 -0.025 0.000 0.931 346 R CA -0.019 56.065 56.100 -0.027 0.000 1.082 346 R CB -0.264 30.022 30.300 -0.024 0.000 1.135 346 R HN 0.951 nan 8.270 nan 0.000 0.525 347 M N -0.574 119.010 119.600 -0.026 0.000 2.219 347 M HA 0.253 4.345 4.480 -0.647 0.000 0.307 347 M C 0.146 176.431 176.300 -0.026 0.000 1.116 347 M CA 0.088 55.373 55.300 -0.025 0.000 1.181 347 M CB 0.475 33.059 32.600 -0.025 0.000 1.410 347 M HN -0.130 nan 8.290 nan 0.000 0.454 348 A N 2.694 125.500 122.820 -0.023 0.000 2.444 348 A HA 0.447 4.379 4.320 -0.647 0.000 0.273 348 A C -2.159 175.410 177.584 -0.026 0.000 1.136 348 A CA -1.299 50.724 52.037 -0.023 0.000 0.799 348 A CB -1.123 17.865 19.000 -0.020 0.000 1.081 348 A HN 0.683 nan 8.150 nan 0.000 0.509 349 P HA 0.098 nan 4.420 nan 0.000 0.271 349 P C -0.136 177.147 177.300 -0.028 0.000 1.216 349 P CA -0.265 62.818 63.100 -0.029 0.000 0.771 349 P CB 0.599 32.283 31.700 -0.026 0.000 0.864 350 E N 2.184 122.362 120.200 -0.037 0.000 2.452 350 E HA -0.031 3.931 4.350 -0.647 0.000 0.261 350 E C -0.380 176.192 176.600 -0.046 0.000 0.987 350 E CA 0.213 56.585 56.400 -0.046 0.000 0.926 350 E CB 0.361 30.021 29.700 -0.068 0.000 0.934 350 E HN 0.365 nan 8.360 nan 0.000 0.452 351 E N 3.971 124.146 120.200 -0.042 0.000 2.191 351 E HA 0.380 4.342 4.350 -0.647 0.000 0.274 351 E C -0.574 175.991 176.600 -0.058 0.000 0.948 351 E CA -0.657 55.721 56.400 -0.036 0.000 0.802 351 E CB 1.588 31.275 29.700 -0.021 0.000 1.137 351 E HN 0.434 nan 8.360 nan 0.000 0.397 352 I N 3.740 124.269 120.570 -0.069 0.000 2.382 352 I HA 0.262 4.044 4.170 -0.647 0.000 0.285 352 I C -0.746 175.327 176.117 -0.074 0.000 1.007 352 I CA -0.766 60.484 61.300 -0.083 0.000 1.142 352 I CB 0.917 38.847 38.000 -0.117 0.000 1.289 352 I HN 0.283 nan 8.210 nan 0.000 0.453 353 I N 7.096 127.624 120.570 -0.069 0.000 2.330 353 I HA 0.310 4.092 4.170 -0.647 0.000 0.289 353 I C 0.007 176.078 176.117 -0.076 0.000 1.001 353 I CA -0.681 60.587 61.300 -0.054 0.000 1.193 353 I CB 1.425 39.404 38.000 -0.035 0.000 1.345 353 I HN 0.379 nan 8.210 nan 0.000 0.461 354 I N 6.785 127.302 120.570 -0.087 0.000 2.268 354 I HA 0.151 3.932 4.170 -0.647 0.000 0.290 354 I C 0.343 176.463 176.117 0.005 0.000 1.125 354 I CA -0.148 61.086 61.300 -0.109 0.000 1.236 354 I CB -0.184 37.626 38.000 -0.317 0.000 1.469 354 I HN 0.495 nan 8.210 nan 0.000 0.512 355 D N 5.020 125.400 120.400 -0.034 0.000 2.804 355 D HA 0.254 4.506 4.640 -0.647 0.000 0.308 355 D C 0.176 176.135 176.300 -0.568 0.000 1.371 355 D CA -0.482 53.465 54.000 -0.088 0.000 0.823 355 D CB 0.512 41.335 40.800 0.038 0.000 1.126 355 D HN 0.447 nan 8.370 nan 0.000 0.467 356 R N -2.677 117.461 120.500 -0.604 0.000 2.752 356 R HA 0.680 4.632 4.340 -0.647 0.000 0.271 356 R C -3.269 172.947 176.300 -0.140 0.000 1.026 356 R CA -1.816 53.888 56.100 -0.661 0.000 0.901 356 R CB -0.737 29.403 30.300 -0.266 0.000 1.243 356 R HN -0.308 nan 8.270 nan 0.000 0.463 357 P HA 0.069 nan 4.420 nan 0.000 0.262 357 P C -1.220 176.226 177.300 0.243 0.000 1.182 357 P CA 0.235 63.485 63.100 0.250 0.000 0.761 357 P CB 0.098 31.871 31.700 0.122 0.000 0.795 358 F N 2.192 122.231 119.950 0.148 0.000 2.603 358 F HA 0.738 4.876 4.527 -0.647 0.000 0.317 358 F C -1.154 174.723 175.800 0.127 0.000 1.066 358 F CA -1.933 56.135 58.000 0.113 0.000 0.941 358 F CB 0.696 39.768 39.000 0.121 0.000 1.291 358 F HN 0.077 nan 8.300 nan 0.000 0.472 359 L N 1.400 122.798 121.223 0.292 0.000 2.352 359 L HA 0.898 4.850 4.340 -0.647 0.000 0.269 359 L C -0.930 176.196 176.870 0.426 0.000 1.034 359 L CA -0.907 54.053 54.840 0.201 0.000 0.806 359 L CB 1.400 43.536 42.059 0.128 0.000 1.244 359 L HN 0.775 nan 8.230 nan 0.000 0.447 360 F N -0.170 119.940 119.950 0.266 0.000 2.588 360 F HA 0.948 5.086 4.527 -0.648 0.000 0.314 360 F C -1.203 174.765 175.800 0.279 0.000 1.069 360 F CA -1.273 56.942 58.000 0.359 0.000 0.931 360 F CB 1.757 41.047 39.000 0.483 0.000 1.260 360 F HN 0.338 nan 8.300 nan 0.000 0.465 361 V N 2.812 123.030 119.914 0.507 0.000 2.623 361 V HA 0.497 4.229 4.120 -0.647 0.000 0.304 361 V C -0.936 175.468 176.094 0.516 0.000 1.054 361 V CA -0.842 61.655 62.300 0.328 0.000 0.882 361 V CB 1.742 33.666 31.823 0.169 0.000 1.002 361 V HN 0.812 nan 8.190 nan 0.000 0.424 362 V N 5.888 126.065 119.914 0.439 0.000 2.370 362 V HA 0.642 4.374 4.120 -0.647 0.000 0.279 362 V C 0.101 176.324 176.094 0.214 0.000 1.029 362 V CA -0.561 61.978 62.300 0.399 0.000 0.870 362 V CB 1.507 33.520 31.823 0.317 0.000 0.984 362 V HN 1.039 nan 8.190 nan 0.000 0.451 363 R N 2.692 123.337 120.500 0.242 0.000 2.807 363 R HA 0.542 4.494 4.340 -0.647 0.000 0.276 363 R C -0.466 175.885 176.300 0.086 0.000 0.979 363 R CA -0.760 55.411 56.100 0.119 0.000 0.928 363 R CB 1.383 31.728 30.300 0.076 0.000 1.191 363 R HN 0.736 nan 8.270 nan 0.000 0.471 364 H N 3.122 122.138 119.070 -0.091 0.000 2.705 364 H HA 0.168 4.337 4.556 -0.645 0.000 0.291 364 H C -0.315 174.960 175.328 -0.088 0.000 1.085 364 H CA -0.325 55.625 56.048 -0.164 0.000 1.357 364 H CB 0.962 30.592 29.762 -0.221 0.000 1.419 364 H HN 0.694 nan 8.280 nan 0.000 0.462 365 N N 5.379 123.872 118.700 -0.345 0.000 2.188 365 N HA -0.087 4.265 4.740 -0.647 0.000 0.184 365 N C -1.070 174.328 175.510 -0.187 0.000 1.018 365 N CA 0.659 53.604 53.050 -0.175 0.000 0.858 365 N CB -0.880 37.543 38.487 -0.107 0.000 0.989 365 N HN 0.596 nan 8.380 nan 0.000 0.426 366 P HA -0.032 nan 4.420 nan 0.000 0.219 366 P C 1.408 178.712 177.300 0.007 0.000 1.150 366 P CA 1.446 64.456 63.100 -0.150 0.000 0.814 366 P CB -0.081 31.521 31.700 -0.164 0.000 0.787 367 T N -6.182 108.446 114.554 0.124 0.000 3.014 367 T HA 0.333 4.295 4.350 -0.647 0.000 0.250 367 T C 1.589 176.349 174.700 0.101 0.000 1.060 367 T CA 0.521 62.709 62.100 0.148 0.000 1.040 367 T CB -0.612 68.368 68.868 0.187 0.000 0.971 367 T HN 0.191 nan 8.240 nan 0.000 0.497 368 G N 1.542 110.387 108.800 0.076 0.000 2.155 368 G HA2 -0.262 3.310 3.960 -0.647 0.000 0.257 368 G HA3 -0.262 3.310 3.960 -0.647 0.000 0.257 368 G C 0.168 175.089 174.900 0.035 0.000 0.983 368 G CA 0.293 45.422 45.100 0.049 0.000 0.676 368 G HN 0.707 nan 8.290 nan 0.000 0.528 369 T N 0.789 115.370 114.554 0.045 0.000 2.853 369 T HA 0.371 4.333 4.350 -0.647 0.000 0.298 369 T C 0.804 175.485 174.700 -0.032 0.000 0.978 369 T CA 0.061 62.157 62.100 -0.008 0.000 1.152 369 T CB 1.899 70.699 68.868 -0.114 0.000 0.914 369 T HN 0.428 nan 8.240 nan 0.000 0.539 370 V N 6.565 126.457 119.914 -0.036 0.000 2.356 370 V HA 0.108 3.840 4.120 -0.647 0.000 0.258 370 V C 1.354 177.389 176.094 -0.098 0.000 1.065 370 V CA 0.038 62.303 62.300 -0.059 0.000 0.935 370 V CB -0.090 31.692 31.823 -0.068 0.000 1.061 370 V HN 0.844 nan 8.190 nan 0.000 0.484 371 L N 4.301 125.410 121.223 -0.189 0.000 2.131 371 L HA 0.199 4.151 4.340 -0.647 0.000 0.206 371 L C 0.130 176.492 176.870 -0.846 0.000 1.087 371 L CA 1.496 56.040 54.840 -0.493 0.000 0.767 371 L CB -0.020 41.706 42.059 -0.556 0.000 0.917 371 L HN 0.426 nan 8.230 nan 0.000 0.441 372 F N -0.828 119.101 119.950 -0.035 0.000 2.613 372 F HA 0.581 4.720 4.527 -0.647 0.000 0.310 372 F C -0.125 175.636 175.800 -0.064 0.000 1.085 372 F CA -0.999 57.005 58.000 0.005 0.000 0.945 372 F CB 1.788 40.852 39.000 0.106 0.000 1.298 372 F HN -0.226 nan 8.300 nan 0.000 0.455 373 M N 0.872 120.446 119.600 -0.044 0.000 2.644 373 M HA 0.996 5.088 4.480 -0.647 0.000 0.273 373 M C -1.037 174.703 176.300 -0.933 0.000 1.253 373 M CA -0.648 54.295 55.300 -0.594 0.000 0.852 373 M CB 2.552 34.681 32.600 -0.786 0.000 1.708 373 M HN 0.778 nan 8.290 nan 0.000 0.471 374 G N 0.851 108.794 108.800 -1.429 0.000 2.506 374 G HA2 0.528 4.100 3.960 -0.647 0.000 0.292 374 G HA3 0.528 4.100 3.960 -0.647 0.000 0.292 374 G C -2.561 172.069 174.900 -0.451 0.000 1.425 374 G CA -0.814 43.821 45.100 -0.775 0.000 0.788 374 G HN 1.019 nan 8.290 nan 0.000 0.490 375 Q N -0.401 119.392 119.800 -0.011 0.000 2.330 375 Q HA 0.665 4.617 4.340 -0.647 0.000 0.269 375 Q C -1.330 174.596 176.000 -0.123 0.000 1.022 375 Q CA -0.967 54.811 55.803 -0.041 0.000 0.796 375 Q CB 2.729 31.486 28.738 0.032 0.000 1.271 375 Q HN 0.298 nan 8.270 nan 0.000 0.450 376 V N 4.989 124.646 119.914 -0.429 0.000 2.320 376 V HA 0.089 3.821 4.120 -0.647 0.000 0.265 376 V C 0.646 176.517 176.094 -0.371 0.000 1.048 376 V CA -0.391 61.543 62.300 -0.611 0.000 0.865 376 V CB 0.716 31.710 31.823 -1.383 0.000 1.043 376 V HN 0.946 nan 8.190 nan 0.000 0.474 377 M N 2.055 121.558 119.600 -0.162 0.000 2.435 377 M HA 0.245 4.337 4.480 -0.647 0.000 0.265 377 M C 0.745 177.060 176.300 0.026 0.000 1.104 377 M CA 0.840 56.138 55.300 -0.003 0.000 1.140 377 M CB -0.179 32.422 32.600 0.002 0.000 1.372 377 M HN 0.664 nan 8.290 nan 0.000 0.456 378 E N 0.682 120.767 120.200 -0.191 0.000 2.404 378 E HA 0.292 4.254 4.350 -0.647 0.000 0.298 378 E C -2.521 173.847 176.600 -0.386 0.000 0.908 378 E CA -1.360 54.828 56.400 -0.352 0.000 0.808 378 E CB 2.233 31.855 29.700 -0.130 0.000 1.380 378 E HN -0.036 nan 8.360 nan 0.000 0.392 379 P HA 0.000 nan 4.420 nan 0.000 0.216 379 P CA 0.000 62.929 63.100 -0.285 0.000 0.800 379 P CB 0.000 31.520 31.700 -0.300 0.000 0.726