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 3fz8_1_C DATA FIRST_RESID 12 DATA SEQUENCE ELLDSRFGAK SISTIAESKR FPLHEMRDDV AFQIINDELY LDGNARQNLA DATA SEQUENCE TFCQTWDDEN VHKLMDLSIN KNWIDKEEYP QSAAIDLRCV NMVADLWHAP DATA SEQUENCE APKNGQAVGT NTIGSSEACM LGGMAMKWRW RKRMEAAGKP TDKPNLVCGP DATA SEQUENCE VQICWHKFAR YWDVELREIP MRPGQLFMDP KRMIEACDEN TIGVVPTFGV DATA SEQUENCE TYTGNYEFPQ PLHDALDKFQ ADTGIDIDMH IDAASGGFLA PFVAPDIVWD DATA SEQUENCE FRLPRVKSIS ASGHKFGLAP LGCGWVIWRD EEALPQELVF NVDYLGGQIG DATA SEQUENCE TFAINFSRPA GQVIAQYYEF LRLGREGYTK VQNASYQVAA YLADEIAKLG DATA SEQUENCE PYEFICTGRP DEGIPAVCFK LKDGEDPGYT LYDLSERLRL RGWQVPAFTL DATA SEQUENCE GGEATDIVVM RIMCRRGFEM DFAELLLEDY KASLKYLSDH PKLQGIAQQN DATA SEQUENCE SFKHT 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.604 176.600 0.007 0.000 1.382 12 E CA 0.000 56.403 56.400 0.006 0.000 0.976 12 E CB 0.000 29.704 29.700 0.007 0.000 0.812 13 L N 4.287 125.515 121.223 0.009 0.000 2.367 13 L HA 0.435 4.758 4.340 -0.027 0.000 0.275 13 L C -0.277 176.603 176.870 0.017 0.000 1.129 13 L CA -0.143 54.703 54.840 0.010 0.000 0.839 13 L CB -0.002 42.063 42.059 0.010 0.000 1.133 13 L HN 0.473 nan 8.230 nan 0.000 0.453 14 L N 2.605 123.837 121.223 0.015 0.000 2.309 14 L HA 0.560 4.884 4.340 -0.027 0.000 0.261 14 L C -0.455 176.426 176.870 0.019 0.000 1.021 14 L CA -0.707 54.147 54.840 0.023 0.000 0.823 14 L CB 2.478 44.546 42.059 0.016 0.000 1.366 14 L HN 0.511 nan 8.230 nan 0.000 0.423 15 D N -0.386 120.035 120.400 0.036 0.000 2.391 15 D HA 0.190 4.814 4.640 -0.027 0.000 0.245 15 D C 0.401 176.669 176.300 -0.053 0.000 1.069 15 D CA -0.161 53.842 54.000 0.005 0.000 0.831 15 D CB 2.159 43.018 40.800 0.098 0.000 1.204 15 D HN 0.614 nan 8.370 nan 0.000 0.503 16 S N 3.277 118.911 115.700 -0.110 0.000 2.527 16 S HA 0.005 4.459 4.470 -0.027 0.000 0.222 16 S C 1.560 176.046 174.600 -0.190 0.000 0.985 16 S CA 0.073 58.204 58.200 -0.115 0.000 0.921 16 S CB 0.276 63.417 63.200 -0.098 0.000 0.772 16 S HN 0.438 nan 8.310 nan 0.000 0.529 17 R N 0.310 120.593 120.500 -0.360 0.000 2.061 17 R HA 0.112 4.435 4.340 -0.027 0.000 0.230 17 R C 1.054 177.081 176.300 -0.455 0.000 1.140 17 R CA 1.720 57.469 56.100 -0.585 0.000 0.940 17 R CB -0.345 29.244 30.300 -1.186 0.000 0.839 17 R HN 0.515 nan 8.270 nan 0.000 0.429 18 F N -0.542 119.396 119.950 -0.021 0.000 2.727 18 F HA 0.337 4.846 4.527 -0.030 0.000 0.302 18 F C 1.357 177.150 175.800 -0.011 0.000 1.097 18 F CA 0.019 58.011 58.000 -0.013 0.000 1.330 18 F CB -0.184 38.809 39.000 -0.010 0.000 1.084 18 F HN 0.159 nan 8.300 nan 0.000 0.578 19 G N 1.129 109.987 108.800 0.097 0.000 2.416 19 G HA2 -0.034 3.910 3.960 -0.027 0.000 0.301 19 G HA3 -0.034 3.910 3.960 -0.027 0.000 0.301 19 G C 0.219 175.166 174.900 0.077 0.000 0.985 19 G CA 0.439 45.576 45.100 0.062 0.000 0.934 19 G HN 0.779 nan 8.290 nan 0.000 0.513 20 A N -1.095 121.791 122.820 0.109 0.000 2.552 20 A HA 0.845 5.149 4.320 -0.027 0.000 0.288 20 A C 0.326 177.955 177.584 0.074 0.000 1.193 20 A CA 0.054 52.139 52.037 0.079 0.000 0.713 20 A CB 0.744 19.786 19.000 0.069 0.000 1.305 20 A HN 0.768 nan 8.150 nan 0.000 0.424 21 K N 0.821 121.249 120.400 0.047 0.000 2.530 21 K HA 0.105 4.409 4.320 -0.027 0.000 0.280 21 K C 0.371 177.005 176.600 0.056 0.000 1.004 21 K CA 0.578 56.889 56.287 0.040 0.000 1.071 21 K CB 0.172 32.687 32.500 0.024 0.000 0.876 21 K HN 0.695 nan 8.250 nan 0.000 0.487 22 S N 3.994 119.726 115.700 0.053 0.000 2.549 22 S HA 0.121 4.575 4.470 -0.027 0.000 0.286 22 S C -0.120 174.511 174.600 0.050 0.000 1.314 22 S CA -0.454 57.783 58.200 0.062 0.000 1.062 22 S CB 0.052 63.275 63.200 0.039 0.000 0.865 22 S HN 0.469 nan 8.310 nan 0.000 0.498 23 I N 4.405 125.013 120.570 0.062 0.000 2.428 23 I HA 0.231 4.385 4.170 -0.027 0.000 0.279 23 I C 0.178 176.315 176.117 0.033 0.000 1.040 23 I CA -0.139 61.182 61.300 0.035 0.000 1.171 23 I CB 1.520 39.529 38.000 0.014 0.000 1.312 23 I HN 0.552 nan 8.210 nan 0.000 0.470 24 S N 3.148 118.858 115.700 0.017 0.000 2.505 24 S HA 0.135 4.589 4.470 -0.027 0.000 0.276 24 S C 1.453 176.048 174.600 -0.008 0.000 1.274 24 S CA -0.063 58.140 58.200 0.006 0.000 1.053 24 S CB 0.549 63.749 63.200 -0.000 0.000 0.919 24 S HN 0.762 nan 8.310 nan 0.000 0.490 25 T N 3.349 117.896 114.554 -0.011 0.000 3.085 25 T HA 0.122 4.456 4.350 -0.027 0.000 0.263 25 T C 1.598 176.279 174.700 -0.031 0.000 1.127 25 T CA 0.470 62.554 62.100 -0.027 0.000 1.103 25 T CB -0.301 68.550 68.868 -0.027 0.000 0.921 25 T HN 0.666 nan 8.240 nan 0.000 0.510 26 I N 1.110 121.666 120.570 -0.023 0.000 2.585 26 I HA 0.241 4.395 4.170 -0.027 0.000 0.254 26 I C 1.882 177.986 176.117 -0.023 0.000 1.129 26 I CA -0.084 61.202 61.300 -0.023 0.000 1.455 26 I CB -0.332 37.657 38.000 -0.020 0.000 1.111 26 I HN 0.288 nan 8.210 nan 0.000 0.433 27 A N 0.702 123.510 122.820 -0.020 0.000 2.406 27 A HA 0.031 4.335 4.320 -0.027 0.000 0.243 27 A C 0.870 178.437 177.584 -0.028 0.000 1.082 27 A CA -0.114 51.912 52.037 -0.020 0.000 0.786 27 A CB 0.004 18.996 19.000 -0.014 0.000 1.029 27 A HN 0.475 nan 8.150 nan 0.000 0.495 28 E N -0.695 119.488 120.200 -0.029 0.000 2.325 28 E HA -0.241 4.093 4.350 -0.027 0.000 0.232 28 E C 0.949 177.518 176.600 -0.051 0.000 1.276 28 E CA 0.799 57.175 56.400 -0.039 0.000 0.717 28 E CB -1.183 28.489 29.700 -0.048 0.000 1.192 28 E HN 0.866 nan 8.360 nan 0.000 0.380 29 S N -1.382 114.292 115.700 -0.043 0.000 2.556 29 S HA 0.126 4.579 4.470 -0.027 0.000 0.216 29 S C 1.335 175.912 174.600 -0.039 0.000 0.970 29 S CA 0.056 58.227 58.200 -0.050 0.000 0.912 29 S CB 0.499 63.674 63.200 -0.041 0.000 0.790 29 S HN 0.200 nan 8.310 nan 0.000 0.504 30 K N 0.569 120.953 120.400 -0.027 0.000 2.354 30 K HA 0.253 4.557 4.320 -0.027 0.000 0.194 30 K C 0.099 176.699 176.600 0.001 0.000 1.045 30 K CA 0.061 56.340 56.287 -0.013 0.000 1.026 30 K CB 0.380 32.874 32.500 -0.010 0.000 0.866 30 K HN 0.451 nan 8.250 nan 0.000 0.530 31 R N -1.401 119.098 120.500 -0.001 0.000 2.888 31 R HA 0.323 4.647 4.340 -0.027 0.000 0.266 31 R C -0.987 175.337 176.300 0.039 0.000 1.020 31 R CA -0.816 55.305 56.100 0.034 0.000 0.963 31 R CB -0.146 30.173 30.300 0.032 0.000 1.197 31 R HN -0.219 nan 8.270 nan 0.000 0.481 32 F N 2.739 122.670 119.950 -0.032 0.000 2.578 32 F HA 0.270 4.780 4.527 -0.027 0.000 0.381 32 F C -1.631 174.141 175.800 -0.047 0.000 1.069 32 F CA -1.347 56.633 58.000 -0.032 0.000 1.231 32 F CB 0.440 39.424 39.000 -0.027 0.000 1.086 32 F HN 0.473 nan 8.300 nan 0.000 0.564 33 P HA 0.090 nan 4.420 nan 0.000 0.272 33 P C 0.221 177.520 177.300 -0.002 0.000 1.223 33 P CA -0.017 63.005 63.100 -0.130 0.000 0.784 33 P CB 0.950 32.529 31.700 -0.202 0.000 0.923 34 L N 0.299 121.450 121.223 -0.119 0.000 2.200 34 L HA 0.096 4.419 4.340 -0.027 0.000 0.200 34 L C 1.079 177.920 176.870 -0.049 0.000 1.072 34 L CA 0.836 55.579 54.840 -0.163 0.000 0.787 34 L CB -0.558 41.203 42.059 -0.498 0.000 0.957 34 L HN 0.403 nan 8.230 nan 0.000 0.459 35 H N 0.430 119.516 119.070 0.028 0.000 2.525 35 H HA 0.370 4.909 4.556 -0.028 0.000 0.340 35 H C -0.412 174.919 175.328 0.005 0.000 1.168 35 H CA -0.958 55.099 56.048 0.015 0.000 1.247 35 H CB 0.658 30.422 29.762 0.003 0.000 1.568 35 H HN 0.108 nan 8.280 nan 0.000 0.536 36 E N 0.929 121.216 120.200 0.145 0.000 2.371 36 E HA 0.347 4.680 4.350 -0.027 0.000 0.257 36 E C -0.174 176.447 176.600 0.034 0.000 1.134 36 E CA -0.355 56.084 56.400 0.065 0.000 0.919 36 E CB 1.464 31.189 29.700 0.041 0.000 1.025 36 E HN 0.340 nan 8.360 nan 0.000 0.438 37 M N 0.372 119.974 119.600 0.003 0.000 2.550 37 M HA 0.318 4.782 4.480 -0.027 0.000 0.292 37 M C -0.919 175.359 176.300 -0.037 0.000 1.221 37 M CA -0.699 54.584 55.300 -0.028 0.000 0.873 37 M CB 2.199 34.776 32.600 -0.040 0.000 1.727 37 M HN 0.321 nan 8.290 nan 0.000 0.459 38 R N 1.452 121.913 120.500 -0.065 0.000 2.522 38 R HA -0.006 4.318 4.340 -0.027 0.000 0.284 38 R C 0.050 176.322 176.300 -0.047 0.000 1.032 38 R CA 0.004 56.069 56.100 -0.060 0.000 1.049 38 R CB 0.402 30.653 30.300 -0.081 0.000 0.956 38 R HN 0.635 nan 8.270 nan 0.000 0.422 39 D N 1.792 122.180 120.400 -0.019 0.000 2.182 39 D HA -0.155 4.468 4.640 -0.027 0.000 0.201 39 D C 0.681 177.005 176.300 0.040 0.000 0.986 39 D CA 1.490 55.494 54.000 0.006 0.000 0.847 39 D CB 0.145 40.946 40.800 0.002 0.000 0.942 39 D HN 0.500 nan 8.370 nan 0.000 0.467 40 D N -0.949 119.468 120.400 0.027 0.000 2.289 40 D HA -0.011 4.612 4.640 -0.027 0.000 0.207 40 D C 2.112 178.459 176.300 0.078 0.000 0.966 40 D CA 0.100 54.156 54.000 0.093 0.000 0.868 40 D CB 0.268 41.106 40.800 0.065 0.000 0.943 40 D HN 0.073 nan 8.370 nan 0.000 0.514 41 V N 1.181 121.039 119.914 -0.093 0.000 2.255 41 V HA -0.148 3.956 4.120 -0.027 0.000 0.243 41 V C 2.555 178.572 176.094 -0.128 0.000 1.038 41 V CA 1.623 63.730 62.300 -0.322 0.000 1.008 41 V CB -0.898 30.582 31.823 -0.572 0.000 0.645 41 V HN 0.165 nan 8.190 nan 0.000 0.449 42 A N 0.082 122.864 122.820 -0.063 0.000 1.903 42 A HA -0.318 3.986 4.320 -0.027 0.000 0.219 42 A C 2.139 179.756 177.584 0.055 0.000 1.191 42 A CA 2.511 54.545 52.037 -0.005 0.000 0.638 42 A CB -0.862 18.143 19.000 0.008 0.000 0.823 42 A HN 0.560 nan 8.150 nan 0.000 0.451 43 F N 0.543 120.489 119.950 -0.006 0.000 2.075 43 F HA -0.214 4.300 4.527 -0.022 0.000 0.297 43 F C 2.454 178.292 175.800 0.064 0.000 1.113 43 F CA 2.314 60.328 58.000 0.023 0.000 1.218 43 F CB -0.735 38.277 39.000 0.020 0.000 0.984 43 F HN 0.340 nan 8.300 nan 0.000 0.472 44 Q N 0.381 120.119 119.800 -0.102 0.000 2.061 44 Q HA -0.214 4.110 4.340 -0.027 0.000 0.204 44 Q C 2.372 178.353 176.000 -0.032 0.000 0.984 44 Q CA 2.401 58.149 55.803 -0.091 0.000 0.846 44 Q CB -0.361 28.541 28.738 0.272 0.000 0.902 44 Q HN 0.539 nan 8.270 nan 0.000 0.421 45 I N 0.334 120.953 120.570 0.081 0.000 2.163 45 I HA -0.324 3.830 4.170 -0.027 0.000 0.243 45 I C 2.155 178.253 176.117 -0.032 0.000 1.085 45 I CA 1.305 62.646 61.300 0.069 0.000 1.347 45 I CB -0.322 37.721 38.000 0.071 0.000 1.044 45 I HN 0.232 nan 8.210 nan 0.000 0.408 46 I N 0.472 120.992 120.570 -0.084 0.000 2.286 46 I HA -0.261 3.893 4.170 -0.027 0.000 0.245 46 I C 2.364 178.400 176.117 -0.134 0.000 1.104 46 I CA 1.243 62.489 61.300 -0.091 0.000 1.397 46 I CB -0.532 37.430 38.000 -0.062 0.000 1.072 46 I HN 0.305 nan 8.210 nan 0.000 0.417 47 N N 1.411 119.927 118.700 -0.306 0.000 2.069 47 N HA -0.241 4.483 4.740 -0.027 0.000 0.191 47 N C 1.506 177.025 175.510 0.015 0.000 1.031 47 N CA 1.867 54.753 53.050 -0.273 0.000 0.852 47 N CB -0.189 37.930 38.487 -0.614 0.000 1.018 47 N HN 0.161 nan 8.380 nan 0.000 0.423 48 D N 0.092 120.474 120.400 -0.031 0.000 2.149 48 D HA -0.184 4.440 4.640 -0.027 0.000 0.198 48 D C 1.622 177.957 176.300 0.058 0.000 0.990 48 D CA 1.282 55.274 54.000 -0.013 0.000 0.839 48 D CB -0.306 40.426 40.800 -0.113 0.000 0.948 48 D HN 0.757 nan 8.370 nan 0.000 0.460 49 E N 0.233 120.445 120.200 0.020 0.000 2.371 49 E HA -0.037 4.297 4.350 -0.027 0.000 0.194 49 E C 2.064 178.687 176.600 0.040 0.000 1.012 49 E CA 0.171 56.583 56.400 0.020 0.000 0.860 49 E CB -0.374 29.321 29.700 -0.009 0.000 0.811 49 E HN 0.237 nan 8.360 nan 0.000 0.502 50 L N 0.137 121.386 121.223 0.043 0.000 2.362 50 L HA -0.096 4.228 4.340 -0.027 0.000 0.219 50 L C 1.566 178.439 176.870 0.005 0.000 1.134 50 L CA 0.742 55.582 54.840 -0.000 0.000 0.807 50 L CB -0.426 41.601 42.059 -0.053 0.000 0.927 50 L HN 0.095 nan 8.230 nan 0.000 0.447 51 Y N -0.273 119.992 120.300 -0.059 0.000 2.569 51 Y HA -0.144 4.389 4.550 -0.028 0.000 0.293 51 Y C 2.092 177.963 175.900 -0.047 0.000 1.144 51 Y CA 0.738 58.807 58.100 -0.051 0.000 1.321 51 Y CB -0.392 38.035 38.460 -0.054 0.000 0.982 51 Y HN 0.161 nan 8.280 nan 0.000 0.558 52 L N -0.768 120.507 121.223 0.086 0.000 2.478 52 L HA -0.048 4.276 4.340 -0.027 0.000 0.223 52 L C 0.153 177.023 176.870 -0.000 0.000 1.140 52 L CA 0.283 55.141 54.840 0.031 0.000 0.842 52 L CB -0.268 41.799 42.059 0.013 0.000 0.953 52 L HN 0.018 nan 8.230 nan 0.000 0.452 53 D N 0.796 121.186 120.400 -0.017 0.000 2.345 53 D HA 0.224 4.848 4.640 -0.027 0.000 0.247 53 D C 0.487 176.760 176.300 -0.045 0.000 1.108 53 D CA 0.205 54.182 54.000 -0.038 0.000 0.894 53 D CB 1.472 42.239 40.800 -0.054 0.000 1.203 53 D HN 0.030 nan 8.370 nan 0.000 0.430 54 G N 0.924 109.699 108.800 -0.041 0.000 2.491 54 G HA2 0.034 3.978 3.960 -0.027 0.000 0.242 54 G HA3 0.034 3.978 3.960 -0.027 0.000 0.242 54 G C 0.987 175.853 174.900 -0.056 0.000 1.266 54 G CA -0.471 44.603 45.100 -0.045 0.000 0.844 54 G HN 0.526 nan 8.290 nan 0.000 0.571 55 N N 0.329 118.992 118.700 -0.062 0.000 2.412 55 N HA 0.189 4.912 4.740 -0.027 0.000 0.184 55 N C 1.509 176.988 175.510 -0.052 0.000 1.101 55 N CA 1.123 54.135 53.050 -0.064 0.000 0.881 55 N CB 0.228 38.673 38.487 -0.069 0.000 0.969 55 N HN 1.290 nan 8.380 nan 0.000 0.459 56 A N -0.686 122.104 122.820 -0.049 0.000 3.396 56 A HA -0.290 4.014 4.320 -0.027 0.000 0.267 56 A C 1.666 179.219 177.584 -0.053 0.000 1.139 56 A CA 1.239 53.252 52.037 -0.041 0.000 1.115 56 A CB -1.918 17.066 19.000 -0.028 0.000 1.133 56 A HN 0.290 nan 8.150 nan 0.000 0.920 57 R N -0.159 120.303 120.500 -0.063 0.000 2.120 57 R HA -0.096 4.228 4.340 -0.027 0.000 0.234 57 R C 1.641 177.882 176.300 -0.098 0.000 1.123 57 R CA 1.787 57.842 56.100 -0.076 0.000 0.975 57 R CB -0.394 29.865 30.300 -0.069 0.000 0.866 57 R HN 0.888 nan 8.270 nan 0.000 0.446 58 Q N 0.450 120.169 119.800 -0.134 0.000 2.246 58 Q HA 0.069 4.393 4.340 -0.027 0.000 0.202 58 Q C -0.091 175.928 176.000 0.031 0.000 0.883 58 Q CA -0.294 55.405 55.803 -0.173 0.000 0.952 58 Q CB 0.266 28.670 28.738 -0.556 0.000 1.078 58 Q HN 0.089 nan 8.270 nan 0.000 0.493 59 N N 1.241 119.931 118.700 -0.017 0.000 2.420 59 N HA 0.087 4.811 4.740 -0.027 0.000 0.249 59 N C 0.001 175.475 175.510 -0.059 0.000 1.033 59 N CA 0.033 53.084 53.050 0.002 0.000 0.944 59 N CB 0.785 39.272 38.487 -0.001 0.000 1.113 59 N HN 0.175 nan 8.380 nan 0.000 0.502 60 L N 2.610 123.799 121.223 -0.057 0.000 2.667 60 L HA 0.298 4.622 4.340 -0.027 0.000 0.232 60 L C 1.857 178.663 176.870 -0.107 0.000 1.138 60 L CA -0.146 54.597 54.840 -0.162 0.000 0.921 60 L CB 0.017 41.943 42.059 -0.222 0.000 1.180 60 L HN 0.500 nan 8.230 nan 0.000 0.487 61 A N -0.358 122.441 122.820 -0.035 0.000 1.874 61 A HA -0.042 4.261 4.320 -0.027 0.000 0.214 61 A C 1.486 179.048 177.584 -0.037 0.000 1.189 61 A CA 1.136 53.171 52.037 -0.003 0.000 0.615 61 A CB -0.230 18.817 19.000 0.077 0.000 0.830 61 A HN 0.284 nan 8.150 nan 0.000 0.443 62 T N -1.915 112.631 114.554 -0.012 0.000 2.899 62 T HA 0.391 4.725 4.350 -0.027 0.000 0.295 62 T C 0.358 175.031 174.700 -0.045 0.000 1.033 62 T CA -0.273 61.856 62.100 0.048 0.000 1.084 62 T CB 0.133 69.041 68.868 0.067 0.000 0.979 62 T HN 0.189 nan 8.240 nan 0.000 0.532 63 F N 1.278 121.177 119.950 -0.084 0.000 2.619 63 F HA 0.273 4.783 4.527 -0.028 0.000 0.293 63 F C 1.813 177.495 175.800 -0.197 0.000 1.119 63 F CA -0.396 57.518 58.000 -0.143 0.000 1.445 63 F CB -0.081 38.872 39.000 -0.078 0.000 1.119 63 F HN 0.446 nan 8.300 nan 0.000 0.573 64 C N 1.689 121.032 119.300 0.071 0.000 2.657 64 C HA 0.150 4.594 4.460 -0.027 0.000 0.404 64 C C 0.684 175.653 174.990 -0.035 0.000 1.291 64 C CA -1.140 57.877 59.018 -0.002 0.000 2.218 64 C CB -0.021 27.687 27.740 -0.054 0.000 2.687 64 C HN 0.214 nan 8.230 nan 0.000 0.634 65 Q N 1.486 121.278 119.800 -0.013 0.000 2.274 65 Q HA 0.126 4.450 4.340 -0.027 0.000 0.280 65 Q C 1.054 177.064 176.000 0.018 0.000 1.047 65 Q CA 0.801 56.611 55.803 0.011 0.000 0.907 65 Q CB 0.625 29.391 28.738 0.048 0.000 1.171 65 Q HN 1.017 nan 8.270 nan 0.000 0.381 66 T N -2.416 112.168 114.554 0.051 0.000 3.087 66 T HA 0.089 4.423 4.350 -0.027 0.000 0.283 66 T C -0.168 174.594 174.700 0.104 0.000 0.956 66 T CA -0.529 61.597 62.100 0.043 0.000 0.894 66 T CB -0.026 68.851 68.868 0.015 0.000 1.160 66 T HN 0.452 nan 8.240 nan 0.000 0.532 67 W N 4.113 125.396 121.300 -0.029 0.000 2.358 67 W HA 0.458 5.111 4.660 -0.011 0.000 0.307 67 W C -0.978 175.556 176.519 0.025 0.000 1.203 67 W CA -1.109 56.229 57.345 -0.012 0.000 1.279 67 W CB 0.389 29.840 29.460 -0.015 0.000 1.264 67 W HN 0.093 nan 8.180 nan 0.000 0.474 68 D N 4.666 124.757 120.400 -0.515 0.000 2.350 68 D HA 0.003 4.627 4.640 -0.027 0.000 0.249 68 D C -0.782 174.949 176.300 -0.949 0.000 1.119 68 D CA 0.580 54.299 54.000 -0.468 0.000 0.886 68 D CB 1.425 42.061 40.800 -0.274 0.000 1.195 68 D HN 0.303 nan 8.370 nan 0.000 0.437 69 D N 1.390 121.513 120.400 -0.461 0.000 2.686 69 D HA 0.023 4.647 4.640 -0.027 0.000 0.249 69 D C 0.635 176.857 176.300 -0.129 0.000 1.260 69 D CA -0.482 53.285 54.000 -0.388 0.000 0.910 69 D CB 1.379 42.124 40.800 -0.090 0.000 1.323 69 D HN 0.272 nan 8.370 nan 0.000 0.561 70 E N 2.338 122.427 120.200 -0.184 0.000 2.130 70 E HA -0.227 4.106 4.350 -0.027 0.000 0.196 70 E C 0.818 177.369 176.600 -0.081 0.000 0.998 70 E CA 1.000 57.309 56.400 -0.153 0.000 0.806 70 E CB 0.319 29.936 29.700 -0.139 0.000 0.738 70 E HN 0.403 nan 8.360 nan 0.000 0.459 71 N N -0.209 118.425 118.700 -0.110 0.000 2.270 71 N HA -0.105 4.618 4.740 -0.027 0.000 0.181 71 N C 1.789 177.087 175.510 -0.353 0.000 1.016 71 N CA 0.629 53.533 53.050 -0.243 0.000 0.870 71 N CB -0.076 38.206 38.487 -0.341 0.000 0.979 71 N HN 0.036 nan 8.380 nan 0.000 0.431 72 V N 1.039 120.803 119.914 -0.250 0.000 2.358 72 V HA -0.187 3.917 4.120 -0.027 0.000 0.246 72 V C 2.113 178.140 176.094 -0.111 0.000 1.047 72 V CA 1.325 63.518 62.300 -0.177 0.000 1.035 72 V CB -0.589 31.204 31.823 -0.050 0.000 0.658 72 V HN 0.422 nan 8.190 nan 0.000 0.452 73 H N 0.537 119.517 119.070 -0.150 0.000 2.319 73 H HA -0.138 4.400 4.556 -0.030 0.000 0.299 73 H C 2.449 177.712 175.328 -0.109 0.000 1.092 73 H CA 1.831 57.807 56.048 -0.120 0.000 1.302 73 H CB 0.137 29.826 29.762 -0.121 0.000 1.373 73 H HN 0.418 nan 8.280 nan 0.000 0.497 74 K N 0.452 120.856 120.400 0.006 0.000 2.057 74 K HA -0.103 4.201 4.320 -0.027 0.000 0.207 74 K C 2.426 178.988 176.600 -0.063 0.000 1.049 74 K CA 0.799 57.063 56.287 -0.037 0.000 0.931 74 K CB -0.056 32.409 32.500 -0.059 0.000 0.714 74 K HN 0.185 nan 8.250 nan 0.000 0.440 75 L N 0.433 121.595 121.223 -0.103 0.000 2.056 75 L HA -0.169 4.155 4.340 -0.027 0.000 0.207 75 L C 2.578 179.405 176.870 -0.072 0.000 1.078 75 L CA 0.820 55.606 54.840 -0.089 0.000 0.749 75 L CB -0.326 41.664 42.059 -0.115 0.000 0.901 75 L HN 0.228 nan 8.230 nan 0.000 0.433 76 M N -0.614 118.931 119.600 -0.091 0.000 2.213 76 M HA -0.222 4.241 4.480 -0.027 0.000 0.263 76 M C 1.816 178.069 176.300 -0.079 0.000 1.062 76 M CA 1.607 56.850 55.300 -0.095 0.000 1.105 76 M CB -1.063 31.452 32.600 -0.142 0.000 1.385 76 M HN 0.230 nan 8.290 nan 0.000 0.417 77 D N 0.253 120.614 120.400 -0.065 0.000 2.123 77 D HA -0.082 4.542 4.640 -0.027 0.000 0.200 77 D C 2.063 178.338 176.300 -0.042 0.000 0.976 77 D CA 0.881 54.852 54.000 -0.048 0.000 0.831 77 D CB 0.055 40.837 40.800 -0.029 0.000 0.974 77 D HN 0.286 nan 8.370 nan 0.000 0.469 78 L N -0.118 121.082 121.223 -0.038 0.000 2.131 78 L HA -0.092 4.232 4.340 -0.027 0.000 0.210 78 L C 2.055 178.900 176.870 -0.041 0.000 1.092 78 L CA 0.943 55.765 54.840 -0.030 0.000 0.759 78 L CB -0.193 41.853 42.059 -0.021 0.000 0.903 78 L HN -0.021 nan 8.230 nan 0.000 0.435 79 S N -0.614 115.052 115.700 -0.057 0.000 2.575 79 S HA 0.094 4.548 4.470 -0.027 0.000 0.215 79 S C 1.848 176.390 174.600 -0.097 0.000 0.966 79 S CA -0.127 58.024 58.200 -0.081 0.000 0.911 79 S CB -0.017 63.140 63.200 -0.072 0.000 0.780 79 S HN 0.313 nan 8.310 nan 0.000 0.514 80 I N 2.271 122.796 120.570 -0.074 0.000 2.236 80 I HA -0.274 3.880 4.170 -0.027 0.000 0.249 80 I C 0.634 176.707 176.117 -0.073 0.000 1.102 80 I CA 1.459 62.720 61.300 -0.066 0.000 1.365 80 I CB 0.018 37.990 38.000 -0.047 0.000 1.051 80 I HN 0.237 nan 8.210 nan 0.000 0.420 81 N N 0.813 119.461 118.700 -0.087 0.000 2.187 81 N HA 0.120 4.844 4.740 -0.027 0.000 0.212 81 N C -0.349 175.011 175.510 -0.249 0.000 1.152 81 N CA 0.108 53.105 53.050 -0.089 0.000 0.872 81 N CB 0.321 38.801 38.487 -0.013 0.000 1.025 81 N HN 0.296 nan 8.380 nan 0.000 0.514 82 K N 1.389 121.556 120.400 -0.388 0.000 2.349 82 K HA 0.128 4.432 4.320 -0.027 0.000 0.288 82 K C -0.193 176.016 176.600 -0.653 0.000 1.058 82 K CA -0.298 55.467 56.287 -0.871 0.000 0.953 82 K CB 0.504 32.679 32.500 -0.542 0.000 0.997 82 K HN -0.103 nan 8.250 nan 0.000 0.477 83 N N 2.929 121.136 118.700 -0.820 0.000 2.437 83 N HA -0.012 4.711 4.740 -0.027 0.000 0.243 83 N C 0.308 175.769 175.510 -0.081 0.000 1.041 83 N CA -0.438 52.490 53.050 -0.203 0.000 0.940 83 N CB 0.382 38.889 38.487 0.033 0.000 1.133 83 N HN 0.646 nan 8.380 nan 0.000 0.506 84 W N 4.941 126.135 121.300 -0.175 0.000 2.331 84 W HA -0.169 4.473 4.660 -0.029 0.000 0.291 84 W C 1.323 177.750 176.519 -0.153 0.000 1.214 84 W CA 0.853 58.112 57.345 -0.145 0.000 1.228 84 W CB -0.041 29.337 29.460 -0.137 0.000 1.135 84 W HN 0.596 nan 8.180 nan 0.000 0.537 85 I N 0.505 120.870 120.570 -0.342 0.000 3.578 85 I HA 0.027 4.181 4.170 -0.027 0.000 0.295 85 I C 0.149 175.961 176.117 -0.507 0.000 1.280 85 I CA 0.738 61.632 61.300 -0.675 0.000 1.347 85 I CB -0.550 36.972 38.000 -0.797 0.000 1.051 85 I HN -0.225 nan 8.210 nan 0.000 0.460 86 D N 0.292 120.529 120.400 -0.271 0.000 2.518 86 D HA 0.118 4.742 4.640 -0.027 0.000 0.230 86 D C 1.101 177.294 176.300 -0.177 0.000 1.138 86 D CA -0.082 53.829 54.000 -0.148 0.000 0.964 86 D CB 0.728 41.563 40.800 0.059 0.000 1.011 86 D HN -0.135 nan 8.370 nan 0.000 0.517 87 K N 1.011 121.181 120.400 -0.383 0.000 2.362 87 K HA -0.043 4.261 4.320 -0.027 0.000 0.200 87 K C 1.572 177.955 176.600 -0.362 0.000 1.046 87 K CA 0.604 56.617 56.287 -0.456 0.000 0.952 87 K CB 0.210 32.239 32.500 -0.784 0.000 0.753 87 K HN 0.449 nan 8.250 nan 0.000 0.466 88 E N -0.083 119.953 120.200 -0.274 0.000 2.016 88 E HA -0.171 4.162 4.350 -0.027 0.000 0.190 88 E C 1.667 178.177 176.600 -0.150 0.000 0.985 88 E CA 1.054 57.389 56.400 -0.108 0.000 0.802 88 E CB 0.118 29.808 29.700 -0.016 0.000 0.762 88 E HN 0.208 nan 8.360 nan 0.000 0.448 89 E N -0.562 119.472 120.200 -0.277 0.000 2.230 89 E HA -0.088 4.245 4.350 -0.027 0.000 0.192 89 E C -0.248 175.951 176.600 -0.668 0.000 0.987 89 E CA 0.692 56.786 56.400 -0.510 0.000 0.841 89 E CB 0.172 29.440 29.700 -0.720 0.000 0.783 89 E HN 0.220 nan 8.360 nan 0.000 0.481 90 Y N 0.233 120.488 120.300 -0.075 0.000 2.806 90 Y HA 0.319 4.853 4.550 -0.027 0.000 0.364 90 Y C -1.859 173.991 175.900 -0.084 0.000 1.101 90 Y CA -2.574 55.485 58.100 -0.068 0.000 1.256 90 Y CB 0.893 39.312 38.460 -0.068 0.000 1.363 90 Y HN 0.119 nan 8.280 nan 0.000 0.592 91 P HA -0.158 nan 4.420 nan 0.000 0.223 91 P C 1.377 178.677 177.300 -0.001 0.000 1.151 91 P CA 1.130 64.218 63.100 -0.020 0.000 0.787 91 P CB 0.665 32.358 31.700 -0.012 0.000 0.788 92 Q N 0.052 119.866 119.800 0.023 0.000 2.204 92 Q HA 0.033 4.357 4.340 -0.027 0.000 0.198 92 Q C 2.270 178.268 176.000 -0.002 0.000 0.946 92 Q CA 1.367 57.177 55.803 0.011 0.000 0.859 92 Q CB -0.887 27.863 28.738 0.020 0.000 0.946 92 Q HN 0.060 nan 8.270 nan 0.000 0.474 93 S N 0.620 116.336 115.700 0.026 0.000 2.370 93 S HA -0.191 4.263 4.470 -0.027 0.000 0.226 93 S C 1.965 176.566 174.600 0.001 0.000 1.033 93 S CA 1.044 59.252 58.200 0.014 0.000 1.011 93 S CB -0.645 62.569 63.200 0.024 0.000 0.852 93 S HN 0.557 nan 8.310 nan 0.000 0.457 94 A N 1.941 124.746 122.820 -0.026 0.000 1.892 94 A HA -0.074 4.230 4.320 -0.027 0.000 0.218 94 A C 2.413 179.979 177.584 -0.029 0.000 1.188 94 A CA 2.039 54.031 52.037 -0.075 0.000 0.631 94 A CB -1.303 17.618 19.000 -0.133 0.000 0.822 94 A HN 0.561 nan 8.150 nan 0.000 0.447 95 A N -0.105 122.699 122.820 -0.026 0.000 1.877 95 A HA -0.106 4.198 4.320 -0.027 0.000 0.216 95 A C 2.131 179.686 177.584 -0.049 0.000 1.186 95 A CA 1.601 53.624 52.037 -0.023 0.000 0.620 95 A CB -0.642 18.344 19.000 -0.025 0.000 0.822 95 A HN 0.526 nan 8.150 nan 0.000 0.443 96 I N -0.094 120.411 120.570 -0.108 0.000 2.286 96 I HA -0.246 3.908 4.170 -0.027 0.000 0.248 96 I C 2.277 178.363 176.117 -0.051 0.000 1.115 96 I CA 2.003 63.151 61.300 -0.253 0.000 1.392 96 I CB -0.635 37.155 38.000 -0.349 0.000 1.065 96 I HN 0.521 nan 8.210 nan 0.000 0.418 97 D N 1.480 121.933 120.400 0.087 0.000 2.117 97 D HA -0.184 4.439 4.640 -0.027 0.000 0.197 97 D C 2.246 178.698 176.300 0.252 0.000 0.987 97 D CA 1.285 55.444 54.000 0.265 0.000 0.829 97 D CB -0.072 40.935 40.800 0.344 0.000 0.961 97 D HN 0.253 nan 8.370 nan 0.000 0.460 98 L N -0.376 120.936 121.223 0.148 0.000 2.141 98 L HA -0.037 4.287 4.340 -0.027 0.000 0.209 98 L C 2.774 179.709 176.870 0.108 0.000 1.094 98 L CA 0.767 55.686 54.840 0.132 0.000 0.763 98 L CB -0.295 41.815 42.059 0.084 0.000 0.908 98 L HN 0.054 nan 8.230 nan 0.000 0.437 99 R N -0.936 119.617 120.500 0.087 0.000 2.062 99 R HA -0.142 4.181 4.340 -0.027 0.000 0.231 99 R C 2.448 178.827 176.300 0.132 0.000 1.136 99 R CA 1.760 57.924 56.100 0.106 0.000 0.948 99 R CB -0.641 29.729 30.300 0.115 0.000 0.845 99 R HN 0.385 nan 8.270 nan 0.000 0.430 100 C N 0.109 119.512 119.300 0.173 0.000 2.413 100 C HA -0.081 4.363 4.460 -0.027 0.000 0.276 100 C C 2.680 177.548 174.990 -0.203 0.000 1.248 100 C CA 0.417 59.487 59.018 0.087 0.000 1.742 100 C CB -0.768 27.049 27.740 0.128 0.000 2.017 100 C HN 0.298 nan 8.230 nan 0.000 0.481 101 V N 1.963 121.863 119.914 -0.023 0.000 2.219 101 V HA -0.276 3.828 4.120 -0.027 0.000 0.248 101 V C 2.261 178.314 176.094 -0.068 0.000 1.053 101 V CA 2.406 64.713 62.300 0.012 0.000 1.009 101 V CB -0.991 30.964 31.823 0.220 0.000 0.636 101 V HN 0.467 nan 8.190 nan 0.000 0.445 102 N N 0.026 118.717 118.700 -0.015 0.000 2.064 102 N HA -0.264 4.460 4.740 -0.027 0.000 0.200 102 N C 1.780 177.211 175.510 -0.132 0.000 1.028 102 N CA 2.331 55.352 53.050 -0.048 0.000 0.880 102 N CB -0.516 37.968 38.487 -0.005 0.000 1.062 102 N HN 0.468 nan 8.380 nan 0.000 0.454 103 M N -0.198 119.312 119.600 -0.149 0.000 2.159 103 M HA -0.117 4.347 4.480 -0.027 0.000 0.263 103 M C 2.031 178.053 176.300 -0.464 0.000 1.063 103 M CA 1.018 56.160 55.300 -0.263 0.000 1.110 103 M CB -0.127 32.340 32.600 -0.221 0.000 1.374 103 M HN -0.037 nan 8.290 nan 0.000 0.411 104 V N 0.201 119.791 119.914 -0.540 0.000 2.323 104 V HA -0.205 3.899 4.120 -0.027 0.000 0.244 104 V C 2.648 178.300 176.094 -0.737 0.000 1.041 104 V CA 1.806 63.608 62.300 -0.829 0.000 1.025 104 V CB -1.266 29.987 31.823 -0.949 0.000 0.656 104 V HN 0.497 nan 8.190 nan 0.000 0.451 105 A N 0.497 123.091 122.820 -0.377 0.000 1.869 105 A HA -0.396 3.907 4.320 -0.027 0.000 0.218 105 A C 2.032 179.502 177.584 -0.189 0.000 1.203 105 A CA 2.685 54.618 52.037 -0.174 0.000 0.638 105 A CB -1.032 17.901 19.000 -0.112 0.000 0.831 105 A HN 0.613 nan 8.150 nan 0.000 0.450 106 D N -0.841 119.420 120.400 -0.233 0.000 2.126 106 D HA -0.203 4.420 4.640 -0.027 0.000 0.190 106 D C 1.751 177.850 176.300 -0.336 0.000 1.001 106 D CA 1.664 55.527 54.000 -0.228 0.000 0.841 106 D CB -0.267 40.405 40.800 -0.213 0.000 0.949 106 D HN 0.263 nan 8.370 nan 0.000 0.446 107 L N -0.428 120.516 121.223 -0.465 0.000 2.129 107 L HA -0.134 4.190 4.340 -0.027 0.000 0.212 107 L C 1.152 177.797 176.870 -0.376 0.000 1.087 107 L CA 1.364 55.881 54.840 -0.538 0.000 0.757 107 L CB -0.384 41.243 42.059 -0.721 0.000 0.896 107 L HN 0.309 nan 8.230 nan 0.000 0.434 108 W N -0.490 120.601 121.300 -0.348 0.000 3.330 108 W HA 0.235 4.879 4.660 -0.027 0.000 0.348 108 W C 0.498 176.926 176.519 -0.152 0.000 1.205 108 W CA -0.320 56.830 57.345 -0.325 0.000 1.841 108 W CB -0.934 28.425 29.460 -0.169 0.000 1.084 108 W HN 0.301 nan 8.180 nan 0.000 0.665 109 H N -1.188 117.922 119.070 0.066 0.000 2.826 109 H HA -0.142 4.398 4.556 -0.027 0.000 0.306 109 H C 0.818 176.174 175.328 0.046 0.000 1.235 109 H CA 0.860 56.911 56.048 0.006 0.000 1.150 109 H CB -1.703 28.017 29.762 -0.071 0.000 1.409 109 H HN 0.092 nan 8.280 nan 0.000 0.420 110 A N 1.511 124.369 122.820 0.064 0.000 2.498 110 A HA 0.360 4.664 4.320 -0.027 0.000 0.239 110 A C -1.425 176.080 177.584 -0.131 0.000 1.068 110 A CA -0.891 51.011 52.037 -0.225 0.000 0.766 110 A CB 0.221 19.016 19.000 -0.341 0.000 1.003 110 A HN 0.075 nan 8.150 nan 0.000 0.497 111 P HA 0.167 nan 4.420 nan 0.000 0.261 111 P C 0.133 177.388 177.300 -0.074 0.000 1.183 111 P CA 0.576 63.628 63.100 -0.080 0.000 0.761 111 P CB 0.117 31.772 31.700 -0.074 0.000 0.785 112 A N 6.620 129.413 122.820 -0.045 0.000 2.592 112 A HA 0.100 4.404 4.320 -0.027 0.000 0.250 112 A C -1.495 176.068 177.584 -0.036 0.000 1.017 112 A CA -0.501 51.514 52.037 -0.038 0.000 0.794 112 A CB -1.318 17.667 19.000 -0.024 0.000 0.917 112 A HN 0.430 nan 8.150 nan 0.000 0.515 113 P HA 0.219 nan 4.420 nan 0.000 0.281 113 P C 0.281 177.573 177.300 -0.013 0.000 1.252 113 P CA -0.557 62.528 63.100 -0.025 0.000 0.778 113 P CB 1.054 32.744 31.700 -0.017 0.000 0.895 114 K N 2.965 123.358 120.400 -0.011 0.000 2.034 114 K HA -0.233 4.071 4.320 -0.027 0.000 0.214 114 K C 1.195 177.794 176.600 -0.002 0.000 1.051 114 K CA 2.053 58.336 56.287 -0.006 0.000 0.931 114 K CB -0.689 31.808 32.500 -0.006 0.000 0.715 114 K HN 0.408 nan 8.250 nan 0.000 0.446 115 N N -0.385 118.316 118.700 0.002 0.000 2.230 115 N HA 0.120 4.843 4.740 -0.027 0.000 0.202 115 N C 0.720 176.236 175.510 0.009 0.000 1.119 115 N CA 0.415 53.468 53.050 0.006 0.000 0.851 115 N CB 0.942 39.434 38.487 0.008 0.000 0.990 115 N HN 0.471 nan 8.380 nan 0.000 0.497 116 G N -0.401 108.403 108.800 0.007 0.000 2.131 116 G HA2 -0.239 3.704 3.960 -0.027 0.000 0.223 116 G HA3 -0.239 3.704 3.960 -0.027 0.000 0.223 116 G C -0.431 174.479 174.900 0.017 0.000 0.990 116 G CA 0.163 45.269 45.100 0.010 0.000 0.671 116 G HN 0.631 nan 8.290 nan 0.000 0.521 117 Q N 0.000 119.813 119.800 0.021 0.000 2.275 117 Q HA 0.735 5.058 4.340 -0.027 0.000 0.258 117 Q C 0.048 176.071 176.000 0.039 0.000 0.960 117 Q CA 0.430 56.254 55.803 0.036 0.000 0.801 117 Q CB 1.256 30.023 28.738 0.048 0.000 1.302 117 Q HN 1.280 nan 8.270 nan 0.000 0.433 118 A N 2.633 125.477 122.820 0.039 0.000 2.406 118 A HA 0.517 4.820 4.320 -0.027 0.000 0.243 118 A C -0.439 177.210 177.584 0.109 0.000 1.082 118 A CA -0.365 51.698 52.037 0.044 0.000 0.786 118 A CB 0.580 19.589 19.000 0.015 0.000 1.029 118 A HN 0.579 nan 8.150 nan 0.000 0.495 119 V N 2.036 122.033 119.914 0.138 0.000 2.389 119 V HA 0.608 4.712 4.120 -0.027 0.000 0.264 119 V C 0.887 177.249 176.094 0.446 0.000 1.049 119 V CA 1.099 63.535 62.300 0.228 0.000 0.932 119 V CB -0.185 31.748 31.823 0.183 0.000 1.011 119 V HN 1.494 nan 8.190 nan 0.000 0.475 120 G N 3.339 112.435 108.800 0.494 0.000 2.317 120 G HA2 0.554 4.497 3.960 -0.027 0.000 0.293 120 G HA3 0.554 4.497 3.960 -0.027 0.000 0.293 120 G C -0.920 174.318 174.900 0.564 0.000 1.287 120 G CA 0.144 45.654 45.100 0.684 0.000 0.850 120 G HN 0.757 nan 8.290 nan 0.000 0.515 121 T N -0.607 114.289 114.554 0.569 0.000 2.977 121 T HA 0.412 4.746 4.350 -0.027 0.000 0.345 121 T C -0.772 174.145 174.700 0.362 0.000 1.562 121 T CA -0.446 61.947 62.100 0.487 0.000 1.090 121 T CB 1.397 70.537 68.868 0.453 0.000 1.383 121 T HN 0.856 nan 8.240 nan 0.000 0.484 122 N N 1.370 120.194 118.700 0.207 0.000 2.340 122 N HA 0.353 5.077 4.740 -0.027 0.000 0.236 122 N C -0.178 175.038 175.510 -0.491 0.000 1.296 122 N CA 0.743 53.529 53.050 -0.439 0.000 0.896 122 N CB 0.747 38.869 38.487 -0.609 0.000 1.127 122 N HN 0.863 nan 8.380 nan 0.000 0.442 123 T N -0.922 113.246 114.554 -0.644 0.000 2.787 123 T HA 0.327 4.660 4.350 -0.027 0.000 0.297 123 T C 1.332 175.739 174.700 -0.488 0.000 1.221 123 T CA -0.844 60.958 62.100 -0.496 0.000 1.006 123 T CB 0.722 69.416 68.868 -0.291 0.000 1.328 123 T HN 0.224 nan 8.240 nan 0.000 0.509 124 I N 0.857 121.221 120.570 -0.343 0.000 2.315 124 I HA 0.233 4.387 4.170 -0.027 0.000 0.248 124 I C 1.495 177.524 176.117 -0.148 0.000 1.117 124 I CA 1.745 62.908 61.300 -0.229 0.000 1.404 124 I CB -1.369 36.545 38.000 -0.144 0.000 1.071 124 I HN 1.022 nan 8.210 nan 0.000 0.419 125 G N -1.772 106.936 108.800 -0.154 0.000 2.554 125 G HA2 0.290 4.234 3.960 -0.027 0.000 0.306 125 G HA3 0.290 4.234 3.960 -0.027 0.000 0.306 125 G C 0.235 175.064 174.900 -0.119 0.000 1.320 125 G CA 0.193 45.223 45.100 -0.117 0.000 0.800 125 G HN -0.103 nan 8.290 nan 0.000 0.481 126 S N -0.306 115.354 115.700 -0.068 0.000 2.368 126 S HA -0.058 4.395 4.470 -0.027 0.000 0.224 126 S C 2.682 177.216 174.600 -0.109 0.000 1.029 126 S CA 1.778 59.947 58.200 -0.051 0.000 0.988 126 S CB -0.362 62.834 63.200 -0.006 0.000 0.838 126 S HN 0.566 nan 8.310 nan 0.000 0.462 127 S N 1.093 116.737 115.700 -0.094 0.000 2.393 127 S HA -0.283 4.171 4.470 -0.027 0.000 0.235 127 S C 1.945 176.460 174.600 -0.141 0.000 1.061 127 S CA 1.914 60.038 58.200 -0.127 0.000 1.129 127 S CB -0.454 62.717 63.200 -0.049 0.000 1.011 127 S HN 0.666 nan 8.310 nan 0.000 0.436 128 E N 0.399 120.538 120.200 -0.101 0.000 2.152 128 E HA -0.041 4.293 4.350 -0.027 0.000 0.192 128 E C 2.100 178.610 176.600 -0.150 0.000 0.983 128 E CA 0.788 57.127 56.400 -0.101 0.000 0.818 128 E CB -0.212 29.429 29.700 -0.098 0.000 0.758 128 E HN 0.492 nan 8.360 nan 0.000 0.467 129 A N 0.315 123.050 122.820 -0.142 0.000 1.969 129 A HA -0.143 4.161 4.320 -0.027 0.000 0.218 129 A C 2.348 179.822 177.584 -0.184 0.000 1.169 129 A CA 1.141 53.108 52.037 -0.116 0.000 0.635 129 A CB -0.650 18.327 19.000 -0.037 0.000 0.810 129 A HN 0.479 nan 8.150 nan 0.000 0.445 130 C N -0.588 118.536 119.300 -0.294 0.000 2.486 130 C HA -0.034 4.410 4.460 -0.027 0.000 0.279 130 C C 2.940 177.473 174.990 -0.760 0.000 1.302 130 C CA 1.063 59.743 59.018 -0.562 0.000 1.720 130 C CB -0.883 26.296 27.740 -0.935 0.000 2.030 130 C HN 0.626 nan 8.230 nan 0.000 0.490 131 M N 0.626 119.894 119.600 -0.553 0.000 2.108 131 M HA -0.133 4.330 4.480 -0.027 0.000 0.261 131 M C 2.115 178.172 176.300 -0.404 0.000 1.066 131 M CA 1.810 56.843 55.300 -0.446 0.000 1.107 131 M CB -1.380 31.129 32.600 -0.151 0.000 1.356 131 M HN 0.364 nan 8.290 nan 0.000 0.406 132 L N 0.289 121.340 121.223 -0.287 0.000 1.989 132 L HA -0.158 4.166 4.340 -0.027 0.000 0.211 132 L C 2.893 179.836 176.870 0.122 0.000 1.071 132 L CA 1.646 56.367 54.840 -0.199 0.000 0.749 132 L CB -1.509 40.393 42.059 -0.263 0.000 0.890 132 L HN 0.416 nan 8.230 nan 0.000 0.431 133 G N -0.545 108.210 108.800 -0.075 0.000 2.440 133 G HA2 -0.209 3.735 3.960 -0.027 0.000 0.218 133 G HA3 -0.209 3.735 3.960 -0.027 0.000 0.218 133 G C 1.542 176.322 174.900 -0.199 0.000 1.154 133 G CA 0.817 45.806 45.100 -0.185 0.000 0.767 133 G HN 0.511 nan 8.290 nan 0.000 0.552 134 G N 0.589 109.112 108.800 -0.461 0.000 2.433 134 G HA2 -0.198 3.746 3.960 -0.027 0.000 0.216 134 G HA3 -0.198 3.746 3.960 -0.027 0.000 0.216 134 G C 1.882 176.744 174.900 -0.063 0.000 1.186 134 G CA 0.994 45.686 45.100 -0.681 0.000 0.779 134 G HN 0.362 nan 8.290 nan 0.000 0.543 135 M N 0.833 120.445 119.600 0.019 0.000 2.073 135 M HA -0.171 4.293 4.480 -0.027 0.000 0.258 135 M C 3.065 179.571 176.300 0.342 0.000 1.070 135 M CA 1.753 57.174 55.300 0.201 0.000 1.103 135 M CB -0.433 32.217 32.600 0.083 0.000 1.321 135 M HN 0.351 nan 8.290 nan 0.000 0.405 136 A N -0.224 122.791 122.820 0.324 0.000 1.972 136 A HA -0.185 4.119 4.320 -0.027 0.000 0.219 136 A C 2.091 179.887 177.584 0.354 0.000 1.169 136 A CA 1.542 53.769 52.037 0.317 0.000 0.635 136 A CB -0.599 18.680 19.000 0.465 0.000 0.810 136 A HN 0.489 nan 8.150 nan 0.000 0.446 137 M N -1.006 118.782 119.600 0.313 0.000 2.067 137 M HA -0.170 4.294 4.480 -0.027 0.000 0.260 137 M C 2.374 178.899 176.300 0.375 0.000 1.069 137 M CA 2.053 57.525 55.300 0.287 0.000 1.117 137 M CB -0.330 32.374 32.600 0.175 0.000 1.334 137 M HN 0.455 nan 8.290 nan 0.000 0.407 138 K N -0.231 120.434 120.400 0.442 0.000 2.063 138 K HA -0.212 4.092 4.320 -0.027 0.000 0.208 138 K C 2.001 178.926 176.600 0.541 0.000 1.048 138 K CA 1.481 58.072 56.287 0.508 0.000 0.928 138 K CB -0.162 32.663 32.500 0.542 0.000 0.713 138 K HN 0.472 nan 8.250 nan 0.000 0.442 139 W N 1.218 122.666 121.300 0.247 0.000 2.381 139 W HA -0.136 4.508 4.660 -0.026 0.000 0.301 139 W C 2.189 178.801 176.519 0.155 0.000 1.205 139 W CA 0.793 58.241 57.345 0.172 0.000 1.285 139 W CB -0.110 29.404 29.460 0.092 0.000 1.133 139 W HN 0.195 nan 8.180 nan 0.000 0.521 140 R N -0.782 119.956 120.500 0.396 0.000 2.083 140 R HA -0.240 4.084 4.340 -0.027 0.000 0.237 140 R C 1.962 178.411 176.300 0.248 0.000 1.137 140 R CA 2.219 58.484 56.100 0.274 0.000 0.951 140 R CB -1.208 29.250 30.300 0.264 0.000 0.851 140 R HN 0.248 nan 8.270 nan 0.000 0.434 141 W N 1.700 123.071 121.300 0.118 0.000 2.353 141 W HA -0.159 4.484 4.660 -0.027 0.000 0.319 141 W C 2.201 178.742 176.519 0.037 0.000 1.207 141 W CA 1.188 58.580 57.345 0.079 0.000 1.291 141 W CB -0.349 29.165 29.460 0.090 0.000 1.159 141 W HN -0.120 nan 8.180 nan 0.000 0.478 142 R N 0.552 120.980 120.500 -0.120 0.000 2.179 142 R HA -0.285 4.039 4.340 -0.027 0.000 0.238 142 R C 2.274 178.358 176.300 -0.360 0.000 1.119 142 R CA 2.689 58.527 56.100 -0.436 0.000 0.915 142 R CB -1.013 29.111 30.300 -0.293 0.000 0.870 142 R HN 0.250 nan 8.270 nan 0.000 0.432 143 K N -0.053 120.244 120.400 -0.171 0.000 2.127 143 K HA -0.204 4.100 4.320 -0.027 0.000 0.208 143 K C 2.251 178.777 176.600 -0.124 0.000 1.047 143 K CA 1.447 57.668 56.287 -0.110 0.000 0.927 143 K CB -0.154 32.340 32.500 -0.010 0.000 0.716 143 K HN 0.227 nan 8.250 nan 0.000 0.450 144 R N -0.114 120.303 120.500 -0.138 0.000 2.066 144 R HA -0.010 4.314 4.340 -0.027 0.000 0.232 144 R C 2.422 178.608 176.300 -0.190 0.000 1.131 144 R CA 1.183 57.210 56.100 -0.122 0.000 0.955 144 R CB -0.080 30.185 30.300 -0.060 0.000 0.851 144 R HN 0.163 nan 8.270 nan 0.000 0.432 145 M N 0.337 119.720 119.600 -0.362 0.000 2.086 145 M HA -0.144 4.320 4.480 -0.027 0.000 0.261 145 M C 1.908 178.063 176.300 -0.241 0.000 1.067 145 M CA 1.635 56.724 55.300 -0.352 0.000 1.116 145 M CB -0.912 31.313 32.600 -0.625 0.000 1.348 145 M HN 0.143 nan 8.290 nan 0.000 0.407 146 E N 0.634 120.684 120.200 -0.251 0.000 2.065 146 E HA -0.205 4.128 4.350 -0.027 0.000 0.201 146 E C 2.109 178.641 176.600 -0.113 0.000 1.016 146 E CA 1.824 58.124 56.400 -0.166 0.000 0.818 146 E CB -0.174 29.432 29.700 -0.156 0.000 0.749 146 E HN 0.527 nan 8.360 nan 0.000 0.453 147 A N 0.963 123.722 122.820 -0.102 0.000 1.917 147 A HA -0.184 4.120 4.320 -0.027 0.000 0.219 147 A C 2.230 179.778 177.584 -0.061 0.000 1.182 147 A CA 1.939 53.935 52.037 -0.068 0.000 0.633 147 A CB -0.651 18.315 19.000 -0.055 0.000 0.819 147 A HN 0.326 nan 8.150 nan 0.000 0.448 148 A N -1.755 121.021 122.820 -0.072 0.000 2.259 148 A HA 0.415 4.719 4.320 -0.027 0.000 0.208 148 A C 1.758 179.309 177.584 -0.055 0.000 1.201 148 A CA 1.135 53.139 52.037 -0.055 0.000 0.824 148 A CB -1.194 17.776 19.000 -0.050 0.000 0.838 148 A HN 1.986 nan 8.150 nan 0.000 0.485 149 G N -0.402 108.358 108.800 -0.066 0.000 2.153 149 G HA2 -0.290 3.653 3.960 -0.027 0.000 0.252 149 G HA3 -0.290 3.653 3.960 -0.027 0.000 0.252 149 G C 0.176 175.041 174.900 -0.057 0.000 0.994 149 G CA 0.853 45.919 45.100 -0.057 0.000 0.698 149 G HN 0.642 nan 8.290 nan 0.000 0.521 150 K N 0.288 120.642 120.400 -0.077 0.000 2.106 150 K HA 0.557 4.861 4.320 -0.027 0.000 0.246 150 K C -2.389 174.163 176.600 -0.080 0.000 0.987 150 K CA -2.048 54.201 56.287 -0.063 0.000 0.904 150 K CB 0.965 33.433 32.500 -0.053 0.000 1.071 150 K HN -0.018 nan 8.250 nan 0.000 0.453 151 P HA 0.007 nan 4.420 nan 0.000 0.271 151 P C -0.050 177.229 177.300 -0.036 0.000 1.218 151 P CA -0.119 62.968 63.100 -0.023 0.000 0.780 151 P CB 0.557 32.271 31.700 0.023 0.000 0.901 152 T N -3.530 111.002 114.554 -0.037 0.000 3.288 152 T HA 0.078 4.412 4.350 -0.027 0.000 0.293 152 T C 0.548 175.354 174.700 0.177 0.000 1.008 152 T CA -0.310 61.766 62.100 -0.039 0.000 0.929 152 T CB -0.478 68.243 68.868 -0.246 0.000 1.152 152 T HN 0.378 nan 8.240 nan 0.000 0.517 153 D N 1.388 121.881 120.400 0.155 0.000 2.354 153 D HA -0.005 4.619 4.640 -0.027 0.000 0.209 153 D C 0.642 177.034 176.300 0.153 0.000 1.015 153 D CA -0.034 54.046 54.000 0.132 0.000 0.867 153 D CB 0.161 41.007 40.800 0.078 0.000 0.933 153 D HN 0.395 nan 8.370 nan 0.000 0.520 154 K N 1.776 122.297 120.400 0.201 0.000 3.122 154 K HA 0.279 4.583 4.320 -0.027 0.000 0.193 154 K C -2.594 174.052 176.600 0.077 0.000 1.141 154 K CA -1.431 54.934 56.287 0.131 0.000 0.975 154 K CB 1.573 34.137 32.500 0.106 0.000 1.173 154 K HN 0.133 nan 8.250 nan 0.000 0.546 155 P HA 0.009 nan 4.420 nan 0.000 0.276 155 P C -1.003 176.162 177.300 -0.226 0.000 1.235 155 P CA -0.142 62.751 63.100 -0.344 0.000 0.772 155 P CB 0.574 32.092 31.700 -0.303 0.000 0.871 156 N N 2.308 120.827 118.700 -0.303 0.000 2.312 156 N HA 0.572 5.296 4.740 -0.027 0.000 0.296 156 N C -1.419 173.981 175.510 -0.182 0.000 1.193 156 N CA -0.978 51.972 53.050 -0.166 0.000 0.773 156 N CB 1.278 39.702 38.487 -0.106 0.000 1.435 156 N HN 0.165 nan 8.380 nan 0.000 0.484 157 L N 1.415 122.581 121.223 -0.095 0.000 2.385 157 L HA 0.663 4.986 4.340 -0.027 0.000 0.273 157 L C -1.577 175.223 176.870 -0.117 0.000 0.990 157 L CA -0.849 53.937 54.840 -0.090 0.000 0.821 157 L CB 1.679 43.748 42.059 0.018 0.000 1.279 157 L HN 0.566 nan 8.230 nan 0.000 0.412 158 V N 4.808 124.631 119.914 -0.152 0.000 2.448 158 V HA 0.688 4.792 4.120 -0.027 0.000 0.295 158 V C 0.102 176.089 176.094 -0.178 0.000 1.025 158 V CA -0.362 61.851 62.300 -0.145 0.000 0.859 158 V CB 1.546 33.284 31.823 -0.141 0.000 0.988 158 V HN 1.022 nan 8.190 nan 0.000 0.431 159 C N 2.333 121.538 119.300 -0.159 0.000 3.321 159 C HA 0.958 5.401 4.460 -0.027 0.000 0.329 159 C C 0.581 175.511 174.990 -0.099 0.000 1.394 159 C CA -0.116 58.789 59.018 -0.188 0.000 1.291 159 C CB 1.165 28.715 27.740 -0.317 0.000 1.606 159 C HN 0.999 nan 8.230 nan 0.000 0.463 160 G N -0.188 108.568 108.800 -0.073 0.000 2.630 160 G HA2 0.689 4.632 3.960 -0.027 0.000 0.223 160 G HA3 0.689 4.632 3.960 -0.027 0.000 0.223 160 G C -2.321 172.619 174.900 0.067 0.000 1.434 160 G CA -0.763 44.353 45.100 0.027 0.000 1.057 160 G HN 0.808 nan 8.290 nan 0.000 0.570 161 P HA 0.115 nan 4.420 nan 0.000 0.238 161 P C 0.435 177.893 177.300 0.263 0.000 1.729 161 P CA -0.151 63.116 63.100 0.278 0.000 1.055 161 P CB -0.557 31.368 31.700 0.377 0.000 1.980 162 V N -0.996 119.024 119.914 0.177 0.000 2.715 162 V HA 0.141 4.245 4.120 -0.027 0.000 0.299 162 V C 0.816 177.079 176.094 0.281 0.000 1.054 162 V CA -0.732 61.660 62.300 0.153 0.000 1.077 162 V CB 0.231 32.097 31.823 0.073 0.000 0.972 162 V HN 0.243 nan 8.190 nan 0.000 0.484 163 Q N 2.172 122.077 119.800 0.175 0.000 2.369 163 Q HA 0.037 4.361 4.340 -0.027 0.000 0.295 163 Q C 1.105 177.310 176.000 0.342 0.000 1.075 163 Q CA 0.408 56.308 55.803 0.162 0.000 0.941 163 Q CB 0.734 29.488 28.738 0.026 0.000 1.260 163 Q HN 0.977 nan 8.270 nan 0.000 0.417 164 I N 3.275 124.041 120.570 0.326 0.000 2.248 164 I HA -0.386 3.768 4.170 -0.027 0.000 0.248 164 I C 2.323 178.559 176.117 0.199 0.000 1.107 164 I CA 1.813 63.277 61.300 0.274 0.000 1.373 164 I CB -0.168 37.782 38.000 -0.083 0.000 1.055 164 I HN 0.953 nan 8.210 nan 0.000 0.418 165 C N -0.235 119.101 119.300 0.059 0.000 2.397 165 C HA -0.244 4.200 4.460 -0.027 0.000 0.282 165 C C 2.306 177.237 174.990 -0.098 0.000 1.252 165 C CA 0.542 59.516 59.018 -0.073 0.000 1.811 165 C CB -2.229 25.384 27.740 -0.211 0.000 2.027 165 C HN 0.718 nan 8.230 nan 0.000 0.503 166 W N -0.296 121.067 121.300 0.104 0.000 2.476 166 W HA 0.095 4.739 4.660 -0.027 0.000 0.281 166 W C 2.955 179.525 176.519 0.086 0.000 1.230 166 W CA 1.006 58.404 57.345 0.087 0.000 1.287 166 W CB -0.519 28.939 29.460 -0.002 0.000 1.108 166 W HN 0.455 nan 8.180 nan 0.000 0.567 167 H N 0.599 119.831 119.070 0.270 0.000 2.352 167 H HA -0.125 4.415 4.556 -0.027 0.000 0.299 167 H C 1.906 177.250 175.328 0.026 0.000 1.097 167 H CA 1.636 57.771 56.048 0.145 0.000 1.311 167 H CB -0.123 29.694 29.762 0.092 0.000 1.377 167 H HN 0.223 nan 8.280 nan 0.000 0.504 168 K N 0.246 120.674 120.400 0.046 0.000 1.991 168 K HA -0.171 4.132 4.320 -0.027 0.000 0.212 168 K C 2.147 178.573 176.600 -0.290 0.000 1.049 168 K CA 1.453 57.519 56.287 -0.367 0.000 0.932 168 K CB -0.445 31.845 32.500 -0.349 0.000 0.717 168 K HN 0.075 nan 8.250 nan 0.000 0.441 169 F N 1.936 121.879 119.950 -0.013 0.000 2.063 169 F HA -0.340 4.171 4.527 -0.027 0.000 0.298 169 F C 2.249 178.251 175.800 0.338 0.000 1.109 169 F CA 1.797 59.953 58.000 0.261 0.000 1.212 169 F CB -0.677 38.388 39.000 0.108 0.000 0.973 169 F HN 0.057 nan 8.300 nan 0.000 0.480 170 A N 0.174 123.098 122.820 0.173 0.000 1.903 170 A HA -0.305 3.999 4.320 -0.027 0.000 0.219 170 A C 2.233 179.812 177.584 -0.009 0.000 1.191 170 A CA 2.337 54.407 52.037 0.054 0.000 0.638 170 A CB -0.953 18.129 19.000 0.136 0.000 0.823 170 A HN 0.480 nan 8.150 nan 0.000 0.451 171 R N -1.433 119.053 120.500 -0.023 0.000 2.061 171 R HA -0.115 4.208 4.340 -0.027 0.000 0.230 171 R C 1.974 178.315 176.300 0.068 0.000 1.140 171 R CA 1.946 58.042 56.100 -0.007 0.000 0.940 171 R CB -0.798 29.460 30.300 -0.070 0.000 0.839 171 R HN 0.569 nan 8.270 nan 0.000 0.429 172 Y N -1.582 118.691 120.300 -0.045 0.000 2.333 172 Y HA -0.144 4.389 4.550 -0.028 0.000 0.290 172 Y C 1.284 176.948 175.900 -0.393 0.000 1.144 172 Y CA 0.217 58.153 58.100 -0.273 0.000 1.228 172 Y CB -0.272 37.910 38.460 -0.462 0.000 0.985 172 Y HN 0.248 nan 8.280 nan 0.000 0.542 173 W N 0.217 121.472 121.300 -0.075 0.000 2.818 173 W HA 0.194 4.838 4.660 -0.028 0.000 0.403 173 W C -0.396 176.061 176.519 -0.102 0.000 0.991 173 W CA -0.217 57.051 57.345 -0.128 0.000 1.925 173 W CB 0.175 29.418 29.460 -0.362 0.000 1.166 173 W HN 0.034 nan 8.180 nan 0.000 0.605 174 D N 0.809 121.259 120.400 0.083 0.000 2.705 174 D HA -0.140 4.483 4.640 -0.027 0.000 0.240 174 D C -0.493 175.843 176.300 0.060 0.000 1.137 174 D CA 0.827 54.868 54.000 0.068 0.000 0.677 174 D CB -1.531 39.316 40.800 0.078 0.000 1.049 174 D HN -0.148 nan 8.370 nan 0.000 0.427 175 V N 0.323 120.254 119.914 0.028 0.000 2.604 175 V HA 0.261 4.364 4.120 -0.027 0.000 0.305 175 V C 0.622 176.734 176.094 0.030 0.000 1.043 175 V CA -0.890 61.425 62.300 0.025 0.000 0.888 175 V CB 2.329 34.179 31.823 0.045 0.000 0.995 175 V HN 0.092 nan 8.190 nan 0.000 0.429 176 E N 2.924 123.131 120.200 0.012 0.000 2.257 176 E HA 0.238 4.571 4.350 -0.027 0.000 0.278 176 E C -1.030 175.576 176.600 0.011 0.000 1.049 176 E CA -0.601 55.806 56.400 0.013 0.000 0.876 176 E CB 1.125 30.825 29.700 -0.001 0.000 1.035 176 E HN 0.537 nan 8.360 nan 0.000 0.419 177 L N 6.072 127.310 121.223 0.023 0.000 2.268 177 L HA 0.224 4.548 4.340 -0.027 0.000 0.289 177 L C -0.239 176.623 176.870 -0.015 0.000 1.064 177 L CA 0.003 54.848 54.840 0.008 0.000 0.824 177 L CB 0.454 42.518 42.059 0.008 0.000 1.202 177 L HN 0.435 nan 8.230 nan 0.000 0.433 178 R N 4.358 124.836 120.500 -0.037 0.000 3.266 178 R HA 0.130 4.454 4.340 -0.027 0.000 0.224 178 R C -0.288 175.983 176.300 -0.047 0.000 1.525 178 R CA -0.114 55.964 56.100 -0.037 0.000 1.364 178 R CB -0.028 30.244 30.300 -0.047 0.000 1.276 178 R HN 0.612 nan 8.270 nan 0.000 0.660 179 E N 2.731 122.912 120.200 -0.032 0.000 2.265 179 E HA 0.023 4.357 4.350 -0.027 0.000 0.272 179 E C -0.465 176.135 176.600 0.001 0.000 1.067 179 E CA -0.420 55.965 56.400 -0.025 0.000 0.900 179 E CB 0.523 30.223 29.700 -0.001 0.000 1.017 179 E HN 0.325 nan 8.360 nan 0.000 0.431 180 I N 8.497 129.065 120.570 -0.004 0.000 2.517 180 I HA 0.063 4.216 4.170 -0.027 0.000 0.285 180 I C -1.798 174.336 176.117 0.029 0.000 1.106 180 I CA -1.462 59.843 61.300 0.009 0.000 1.402 180 I CB 0.587 38.590 38.000 0.005 0.000 1.399 180 I HN 0.464 nan 8.210 nan 0.000 0.535 181 P HA 0.110 nan 4.420 nan 0.000 0.276 181 P C -0.457 176.851 177.300 0.012 0.000 1.230 181 P CA -0.432 62.684 63.100 0.027 0.000 0.776 181 P CB 0.708 32.420 31.700 0.019 0.000 0.888 182 M N 3.798 123.406 119.600 0.014 0.000 2.248 182 M HA 0.065 4.529 4.480 -0.027 0.000 0.345 182 M C 1.044 177.319 176.300 -0.042 0.000 1.243 182 M CA 0.944 56.226 55.300 -0.029 0.000 1.090 182 M CB 0.145 32.737 32.600 -0.013 0.000 1.683 182 M HN 0.407 nan 8.290 nan 0.000 0.450 183 R N 3.543 123.998 120.500 -0.074 0.000 2.739 183 R HA 0.707 5.030 4.340 -0.027 0.000 0.271 183 R C -3.166 173.089 176.300 -0.076 0.000 1.010 183 R CA -2.025 54.041 56.100 -0.057 0.000 0.897 183 R CB 0.637 30.916 30.300 -0.036 0.000 1.236 183 R HN 0.221 nan 8.270 nan 0.000 0.466 184 P HA 0.048 nan 4.420 nan 0.000 0.265 184 P C 0.513 177.782 177.300 -0.051 0.000 1.193 184 P CA 1.413 64.482 63.100 -0.051 0.000 0.765 184 P CB 0.740 32.422 31.700 -0.031 0.000 0.823 185 G N 2.094 110.861 108.800 -0.055 0.000 2.186 185 G HA2 -0.307 3.637 3.960 -0.027 0.000 0.266 185 G HA3 -0.307 3.637 3.960 -0.027 0.000 0.266 185 G C 0.385 175.249 174.900 -0.060 0.000 0.982 185 G CA 0.610 45.686 45.100 -0.041 0.000 0.670 185 G HN 0.621 nan 8.290 nan 0.000 0.533 186 Q N -0.698 119.038 119.800 -0.106 0.000 3.180 186 Q HA 0.602 4.925 4.340 -0.027 0.000 0.317 186 Q C 1.273 177.136 176.000 -0.229 0.000 0.824 186 Q CA -0.375 55.359 55.803 -0.115 0.000 0.926 186 Q CB -0.033 28.672 28.738 -0.056 0.000 1.487 186 Q HN 0.294 nan 8.270 nan 0.000 0.389 187 L N 0.580 121.502 121.223 -0.502 0.000 2.418 187 L HA 0.251 4.575 4.340 -0.027 0.000 0.218 187 L C -0.266 176.067 176.870 -0.896 0.000 1.125 187 L CA 0.608 54.929 54.840 -0.864 0.000 0.835 187 L CB 0.139 41.427 42.059 -1.285 0.000 0.953 187 L HN 0.327 nan 8.230 nan 0.000 0.454 188 F N -2.028 117.962 119.950 0.065 0.000 2.679 188 F HA 0.360 4.870 4.527 -0.027 0.000 0.341 188 F C 0.294 176.122 175.800 0.047 0.000 1.095 188 F CA -1.488 56.549 58.000 0.062 0.000 1.004 188 F CB 0.840 39.884 39.000 0.073 0.000 1.388 188 F HN -0.331 nan 8.300 nan 0.000 0.505 189 M N 3.474 123.227 119.600 0.255 0.000 2.292 189 M HA 0.172 4.636 4.480 -0.027 0.000 0.342 189 M C -0.761 175.619 176.300 0.133 0.000 1.538 189 M CA -0.110 55.267 55.300 0.129 0.000 1.163 189 M CB -0.242 32.400 32.600 0.070 0.000 1.823 189 M HN 0.622 nan 8.290 nan 0.000 0.462 190 D N 5.542 125.999 120.400 0.096 0.000 2.332 190 D HA 0.336 4.960 4.640 -0.027 0.000 0.252 190 D C -2.493 173.835 176.300 0.047 0.000 1.050 190 D CA -1.775 52.277 54.000 0.086 0.000 0.970 190 D CB 0.571 41.415 40.800 0.073 0.000 1.141 190 D HN 0.303 nan 8.370 nan 0.000 0.485 191 P HA -0.157 nan 4.420 nan 0.000 0.216 191 P C 1.444 178.744 177.300 0.000 0.000 1.150 191 P CA 1.386 64.496 63.100 0.018 0.000 0.837 191 P CB 0.226 31.942 31.700 0.028 0.000 0.786 192 K N 0.047 120.455 120.400 0.012 0.000 2.001 192 K HA -0.123 4.181 4.320 -0.027 0.000 0.208 192 K C 2.205 178.801 176.600 -0.006 0.000 1.048 192 K CA 1.406 57.698 56.287 0.008 0.000 0.932 192 K CB -0.221 32.289 32.500 0.017 0.000 0.715 192 K HN -0.082 nan 8.250 nan 0.000 0.437 193 R N 0.263 120.762 120.500 -0.002 0.000 2.152 193 R HA -0.048 4.275 4.340 -0.027 0.000 0.232 193 R C 2.336 178.615 176.300 -0.035 0.000 1.117 193 R CA 1.338 57.432 56.100 -0.010 0.000 0.981 193 R CB -0.131 30.170 30.300 0.001 0.000 0.870 193 R HN 0.325 nan 8.270 nan 0.000 0.451 194 M N 0.131 119.704 119.600 -0.044 0.000 2.132 194 M HA -0.156 4.308 4.480 -0.027 0.000 0.263 194 M C 1.493 177.704 176.300 -0.150 0.000 1.065 194 M CA 1.581 56.830 55.300 -0.085 0.000 1.122 194 M CB 0.146 32.701 32.600 -0.076 0.000 1.365 194 M HN 0.105 nan 8.290 nan 0.000 0.411 195 I N 0.442 120.925 120.570 -0.145 0.000 2.439 195 I HA -0.204 3.950 4.170 -0.027 0.000 0.251 195 I C 1.932 177.951 176.117 -0.164 0.000 1.139 195 I CA 1.418 62.579 61.300 -0.231 0.000 1.438 195 I CB -1.196 36.734 38.000 -0.116 0.000 1.085 195 I HN 0.388 nan 8.210 nan 0.000 0.427 196 E N 0.750 120.907 120.200 -0.071 0.000 2.204 196 E HA -0.098 4.236 4.350 -0.027 0.000 0.194 196 E C 2.120 178.696 176.600 -0.040 0.000 0.989 196 E CA 1.048 57.433 56.400 -0.026 0.000 0.824 196 E CB 0.010 29.706 29.700 -0.007 0.000 0.756 196 E HN 0.433 nan 8.360 nan 0.000 0.477 197 A N 0.033 122.808 122.820 -0.074 0.000 2.169 197 A HA 0.023 4.327 4.320 -0.027 0.000 0.212 197 A C 0.899 178.420 177.584 -0.105 0.000 1.153 197 A CA -0.021 51.972 52.037 -0.073 0.000 0.756 197 A CB -0.035 18.921 19.000 -0.073 0.000 0.813 197 A HN 0.206 nan 8.150 nan 0.000 0.471 198 C N 1.227 120.417 119.300 -0.183 0.000 2.459 198 C HA 0.613 5.056 4.460 -0.027 0.000 0.374 198 C C 0.120 175.082 174.990 -0.047 0.000 1.241 198 C CA -0.152 58.728 59.018 -0.230 0.000 2.352 198 C CB 0.520 27.912 27.740 -0.579 0.000 2.490 198 C HN 0.785 nan 8.230 nan 0.000 0.583 199 D N -0.289 120.136 120.400 0.041 0.000 2.851 199 D HA 0.181 4.804 4.640 -0.027 0.000 0.339 199 D C -0.069 176.349 176.300 0.196 0.000 1.347 199 D CA -0.664 53.442 54.000 0.177 0.000 0.888 199 D CB 0.079 40.953 40.800 0.123 0.000 1.431 199 D HN 0.399 nan 8.370 nan 0.000 0.509 200 E N -0.593 119.734 120.200 0.211 0.000 2.333 200 E HA -0.025 4.308 4.350 -0.027 0.000 0.198 200 E C 0.798 177.628 176.600 0.382 0.000 1.007 200 E CA 0.803 57.360 56.400 0.261 0.000 0.845 200 E CB -0.334 29.491 29.700 0.208 0.000 0.766 200 E HN 0.274 nan 8.360 nan 0.000 0.507 201 N N 0.240 119.084 118.700 0.240 0.000 2.353 201 N HA -0.008 4.716 4.740 -0.027 0.000 0.185 201 N C -0.206 175.094 175.510 -0.350 0.000 1.098 201 N CA 0.370 53.502 53.050 0.137 0.000 0.872 201 N CB 0.365 38.915 38.487 0.105 0.000 0.970 201 N HN 0.020 nan 8.380 nan 0.000 0.467 202 T N 2.446 116.888 114.554 -0.187 0.000 2.761 202 T HA 0.096 4.430 4.350 -0.027 0.000 0.287 202 T C 1.859 176.319 174.700 -0.399 0.000 0.931 202 T CA -0.148 61.797 62.100 -0.258 0.000 1.164 202 T CB 0.193 68.986 68.868 -0.126 0.000 0.876 202 T HN 0.239 nan 8.240 nan 0.000 0.534 203 I N 0.924 121.170 120.570 -0.540 0.000 3.111 203 I HA 0.419 4.572 4.170 -0.027 0.000 0.272 203 I C 0.974 177.032 176.117 -0.098 0.000 1.268 203 I CA -0.098 60.943 61.300 -0.432 0.000 1.467 203 I CB -0.198 37.602 38.000 -0.332 0.000 1.087 203 I HN 0.655 nan 8.210 nan 0.000 0.467 204 G N 0.241 108.975 108.800 -0.110 0.000 2.339 204 G HA2 0.353 4.297 3.960 -0.027 0.000 0.302 204 G HA3 0.353 4.297 3.960 -0.027 0.000 0.302 204 G C -1.619 173.212 174.900 -0.114 0.000 1.425 204 G CA -0.528 44.534 45.100 -0.062 0.000 0.899 204 G HN -0.063 nan 8.290 nan 0.000 0.619 205 V N -0.331 119.516 119.914 -0.111 0.000 2.581 205 V HA 0.706 4.809 4.120 -0.027 0.000 0.303 205 V C -0.116 175.869 176.094 -0.181 0.000 1.041 205 V CA -0.732 61.477 62.300 -0.151 0.000 0.907 205 V CB 1.816 33.560 31.823 -0.131 0.000 0.994 205 V HN 0.819 nan 8.190 nan 0.000 0.442 206 V N 6.310 126.062 119.914 -0.269 0.000 2.305 206 V HA 0.365 4.468 4.120 -0.027 0.000 0.275 206 V C -2.457 173.472 176.094 -0.276 0.000 1.020 206 V CA -1.632 60.462 62.300 -0.344 0.000 0.811 206 V CB 1.537 32.923 31.823 -0.728 0.000 1.031 206 V HN 0.754 nan 8.190 nan 0.000 0.439 207 P HA 0.340 nan 4.420 nan 0.000 0.278 207 P C -0.263 176.959 177.300 -0.131 0.000 1.238 207 P CA -0.183 62.839 63.100 -0.129 0.000 0.794 207 P CB 0.695 32.344 31.700 -0.085 0.000 0.955 208 T N 2.828 117.328 114.554 -0.090 0.000 2.781 208 T HA 0.244 4.578 4.350 -0.027 0.000 0.305 208 T C -0.255 174.427 174.700 -0.030 0.000 1.001 208 T CA 0.008 62.072 62.100 -0.061 0.000 0.950 208 T CB -0.505 68.328 68.868 -0.057 0.000 0.955 208 T HN 0.168 nan 8.240 nan 0.000 0.471 209 F N 3.678 123.477 119.950 -0.252 0.000 2.666 209 F HA 0.490 5.001 4.527 -0.028 0.000 0.362 209 F C 1.075 176.809 175.800 -0.110 0.000 1.190 209 F CA -0.831 56.969 58.000 -0.333 0.000 1.328 209 F CB -0.580 38.032 39.000 -0.647 0.000 1.682 209 F HN 0.783 nan 8.300 nan 0.000 0.623 210 G N 1.974 110.703 108.800 -0.119 0.000 2.220 210 G HA2 0.055 3.999 3.960 -0.027 0.000 0.221 210 G HA3 0.055 3.999 3.960 -0.027 0.000 0.221 210 G C -1.191 173.637 174.900 -0.121 0.000 2.189 210 G CA -0.880 44.131 45.100 -0.148 0.000 1.153 210 G HN 0.211 nan 8.290 nan 0.000 0.621 211 V N 2.002 121.818 119.914 -0.163 0.000 2.540 211 V HA 0.132 4.235 4.120 -0.027 0.000 0.297 211 V C 2.070 178.098 176.094 -0.111 0.000 1.024 211 V CA 1.163 63.386 62.300 -0.129 0.000 1.105 211 V CB 0.691 32.473 31.823 -0.069 0.000 0.938 211 V HN 0.746 nan 8.190 nan 0.000 0.482 212 T N 4.047 118.413 114.554 -0.313 0.000 2.720 212 T HA -0.198 4.136 4.350 -0.027 0.000 0.268 212 T C 1.420 176.042 174.700 -0.130 0.000 1.037 212 T CA 2.109 63.986 62.100 -0.372 0.000 1.144 212 T CB -0.346 68.094 68.868 -0.713 0.000 0.864 212 T HN 0.729 nan 8.240 nan 0.000 0.444 213 Y N 1.648 122.015 120.300 0.111 0.000 2.395 213 Y HA 0.059 4.593 4.550 -0.027 0.000 0.293 213 Y C 2.811 178.896 175.900 0.308 0.000 1.123 213 Y CA 0.838 59.029 58.100 0.152 0.000 1.227 213 Y CB -0.844 37.692 38.460 0.127 0.000 1.012 213 Y HN 0.436 nan 8.280 nan 0.000 0.552 214 T N -6.568 108.183 114.554 0.329 0.000 2.980 214 T HA 0.475 4.808 4.350 -0.027 0.000 0.252 214 T C 1.739 176.522 174.700 0.139 0.000 0.962 214 T CA 0.536 62.794 62.100 0.263 0.000 0.932 214 T CB 0.317 69.387 68.868 0.337 0.000 1.188 214 T HN 0.324 nan 8.240 nan 0.000 0.500 215 G N 1.989 110.831 108.800 0.069 0.000 2.194 215 G HA2 -0.208 3.736 3.960 -0.027 0.000 0.236 215 G HA3 -0.208 3.736 3.960 -0.027 0.000 0.236 215 G C -0.081 174.663 174.900 -0.259 0.000 0.987 215 G CA -0.148 44.921 45.100 -0.052 0.000 0.635 215 G HN 0.638 nan 8.290 nan 0.000 0.520 216 N N 0.331 118.864 118.700 -0.278 0.000 2.508 216 N HA 0.369 5.093 4.740 -0.027 0.000 0.264 216 N C -0.371 174.767 175.510 -0.620 0.000 1.216 216 N CA 0.155 52.907 53.050 -0.497 0.000 0.943 216 N CB 0.377 38.472 38.487 -0.653 0.000 1.113 216 N HN 0.145 nan 8.380 nan 0.000 0.447 217 Y N 0.622 120.501 120.300 -0.701 0.000 2.319 217 Y HA 0.104 4.638 4.550 -0.028 0.000 0.328 217 Y C 0.999 176.402 175.900 -0.829 0.000 1.133 217 Y CA -0.274 57.282 58.100 -0.907 0.000 1.265 217 Y CB 0.455 38.103 38.460 -1.353 0.000 1.218 217 Y HN 0.300 nan 8.280 nan 0.000 0.508 218 E N 3.722 123.724 120.200 -0.330 0.000 2.105 218 E HA 0.190 4.524 4.350 -0.027 0.000 0.285 218 E C -1.258 175.315 176.600 -0.046 0.000 1.055 218 E CA -0.362 55.947 56.400 -0.152 0.000 0.843 218 E CB 0.420 30.082 29.700 -0.063 0.000 1.067 218 E HN 0.376 nan 8.360 nan 0.000 0.398 219 F N 4.395 124.405 119.950 0.101 0.000 2.445 219 F HA 0.167 4.678 4.527 -0.027 0.000 0.359 219 F C -1.333 174.489 175.800 0.037 0.000 1.101 219 F CA -2.085 55.981 58.000 0.110 0.000 1.177 219 F CB 0.749 39.806 39.000 0.096 0.000 1.110 219 F HN 0.413 nan 8.300 nan 0.000 0.522 220 P HA -0.188 nan 4.420 nan 0.000 0.221 220 P C 1.527 178.877 177.300 0.083 0.000 1.150 220 P CA 0.954 64.078 63.100 0.041 0.000 0.800 220 P CB 0.141 31.794 31.700 -0.079 0.000 0.787 221 Q N 0.231 120.085 119.800 0.090 0.000 2.020 221 Q HA -0.115 4.209 4.340 -0.027 0.000 0.202 221 Q C -0.661 175.390 176.000 0.085 0.000 0.982 221 Q CA 2.503 58.337 55.803 0.052 0.000 0.838 221 Q CB -1.670 27.072 28.738 0.005 0.000 0.899 221 Q HN 0.170 nan 8.270 nan 0.000 0.423 222 P HA -0.163 nan 4.420 nan 0.000 0.216 222 P C 0.842 178.187 177.300 0.074 0.000 1.150 222 P CA 1.288 64.427 63.100 0.065 0.000 0.837 222 P CB -0.067 31.669 31.700 0.059 0.000 0.786 223 L N -2.157 119.116 121.223 0.084 0.000 2.109 223 L HA -0.152 4.172 4.340 -0.027 0.000 0.207 223 L C 2.726 179.621 176.870 0.043 0.000 1.086 223 L CA 1.179 56.048 54.840 0.048 0.000 0.760 223 L CB -1.268 40.811 42.059 0.033 0.000 0.910 223 L HN 0.131 nan 8.230 nan 0.000 0.437 224 H N 0.964 120.028 119.070 -0.009 0.000 2.319 224 H HA -0.194 4.346 4.556 -0.027 0.000 0.299 224 H C 1.685 177.016 175.328 0.005 0.000 1.092 224 H CA 2.072 58.113 56.048 -0.012 0.000 1.302 224 H CB 0.153 29.899 29.762 -0.026 0.000 1.373 224 H HN 0.321 nan 8.280 nan 0.000 0.497 225 D N 0.457 120.954 120.400 0.162 0.000 2.106 225 D HA -0.151 4.473 4.640 -0.027 0.000 0.191 225 D C 2.271 178.602 176.300 0.052 0.000 0.997 225 D CA 1.437 55.497 54.000 0.100 0.000 0.834 225 D CB -0.617 40.228 40.800 0.074 0.000 0.956 225 D HN 0.464 nan 8.370 nan 0.000 0.448 226 A N 0.696 123.538 122.820 0.038 0.000 1.948 226 A HA -0.174 4.130 4.320 -0.027 0.000 0.220 226 A C 2.458 180.065 177.584 0.040 0.000 1.177 226 A CA 1.178 53.234 52.037 0.032 0.000 0.636 226 A CB -0.826 18.178 19.000 0.008 0.000 0.815 226 A HN 0.251 nan 8.150 nan 0.000 0.449 227 L N -0.967 120.244 121.223 -0.019 0.000 2.156 227 L HA -0.137 4.187 4.340 -0.027 0.000 0.208 227 L C 2.037 178.931 176.870 0.040 0.000 1.095 227 L CA 1.111 55.946 54.840 -0.007 0.000 0.770 227 L CB -0.536 41.445 42.059 -0.130 0.000 0.914 227 L HN 0.268 nan 8.230 nan 0.000 0.439 228 D N 0.269 120.660 120.400 -0.015 0.000 2.097 228 D HA -0.188 4.435 4.640 -0.027 0.000 0.197 228 D C 2.142 178.474 176.300 0.053 0.000 0.984 228 D CA 1.149 55.157 54.000 0.013 0.000 0.826 228 D CB 0.087 40.907 40.800 0.034 0.000 0.973 228 D HN 0.118 nan 8.370 nan 0.000 0.460 229 K N -0.571 119.871 120.400 0.070 0.000 2.097 229 K HA -0.141 4.163 4.320 -0.027 0.000 0.206 229 K C 2.046 178.709 176.600 0.105 0.000 1.049 229 K CA 0.698 57.030 56.287 0.074 0.000 0.933 229 K CB -0.270 32.275 32.500 0.076 0.000 0.717 229 K HN 0.011 nan 8.250 nan 0.000 0.442 230 F N 1.857 121.798 119.950 -0.013 0.000 2.134 230 F HA -0.199 4.311 4.527 -0.027 0.000 0.299 230 F C 2.446 178.243 175.800 -0.006 0.000 1.097 230 F CA 1.773 59.768 58.000 -0.009 0.000 1.264 230 F CB -0.224 38.767 39.000 -0.015 0.000 1.001 230 F HN 0.164 nan 8.300 nan 0.000 0.479 231 Q N -0.030 119.813 119.800 0.072 0.000 2.119 231 Q HA -0.162 4.162 4.340 -0.027 0.000 0.201 231 Q C 2.313 178.270 176.000 -0.073 0.000 0.972 231 Q CA 1.333 57.122 55.803 -0.022 0.000 0.847 231 Q CB -0.316 28.442 28.738 0.034 0.000 0.903 231 Q HN 0.468 nan 8.270 nan 0.000 0.433 232 A N 1.179 123.975 122.820 -0.040 0.000 1.908 232 A HA -0.230 4.073 4.320 -0.027 0.000 0.218 232 A C 1.618 179.154 177.584 -0.081 0.000 1.181 232 A CA 1.961 53.973 52.037 -0.042 0.000 0.627 232 A CB -0.563 18.429 19.000 -0.013 0.000 0.818 232 A HN 0.462 nan 8.150 nan 0.000 0.445 233 D N -1.264 119.061 120.400 -0.126 0.000 2.162 233 D HA -0.059 4.565 4.640 -0.027 0.000 0.203 233 D C 2.069 178.235 176.300 -0.225 0.000 0.967 233 D CA 2.048 55.954 54.000 -0.157 0.000 0.840 233 D CB -0.224 40.488 40.800 -0.145 0.000 0.972 233 D HN 0.654 nan 8.370 nan 0.000 0.482 234 T N -4.797 109.542 114.554 -0.358 0.000 2.955 234 T HA 0.397 4.731 4.350 -0.027 0.000 0.251 234 T C 1.679 176.256 174.700 -0.205 0.000 1.002 234 T CA 0.789 62.683 62.100 -0.343 0.000 0.970 234 T CB 1.184 69.681 68.868 -0.619 0.000 1.091 234 T HN 0.165 nan 8.240 nan 0.000 0.495 235 G N 1.660 110.357 108.800 -0.170 0.000 2.213 235 G HA2 -0.170 3.774 3.960 -0.027 0.000 0.236 235 G HA3 -0.170 3.774 3.960 -0.027 0.000 0.236 235 G C 0.021 174.897 174.900 -0.039 0.000 0.991 235 G CA -0.095 44.959 45.100 -0.077 0.000 0.629 235 G HN 0.643 nan 8.290 nan 0.000 0.517 236 I N 2.098 122.628 120.570 -0.066 0.000 2.436 236 I HA 0.236 4.389 4.170 -0.027 0.000 0.289 236 I C -0.213 175.987 176.117 0.138 0.000 1.083 236 I CA -0.179 61.163 61.300 0.071 0.000 1.372 236 I CB 0.862 38.964 38.000 0.170 0.000 1.408 236 I HN 0.029 nan 8.210 nan 0.000 0.516 237 D N 8.793 129.272 120.400 0.132 0.000 2.412 237 D HA 0.374 4.997 4.640 -0.027 0.000 0.224 237 D C -0.443 175.939 176.300 0.137 0.000 1.093 237 D CA -0.281 53.790 54.000 0.118 0.000 0.850 237 D CB 0.642 41.494 40.800 0.086 0.000 1.046 237 D HN 0.270 nan 8.370 nan 0.000 0.507 238 I N 2.916 123.556 120.570 0.118 0.000 2.336 238 I HA 0.217 4.370 4.170 -0.027 0.000 0.292 238 I C 0.578 176.715 176.117 0.034 0.000 0.991 238 I CA -0.904 60.443 61.300 0.079 0.000 1.227 238 I CB 1.490 39.511 38.000 0.034 0.000 1.366 238 I HN 0.149 nan 8.210 nan 0.000 0.466 239 D N 5.870 126.306 120.400 0.060 0.000 2.433 239 D HA 0.559 5.183 4.640 -0.027 0.000 0.255 239 D C -0.232 176.084 176.300 0.026 0.000 1.226 239 D CA -0.032 54.006 54.000 0.063 0.000 1.015 239 D CB 1.126 41.998 40.800 0.119 0.000 1.091 239 D HN 0.321 nan 8.370 nan 0.000 0.527 240 M N -0.340 119.283 119.600 0.040 0.000 2.572 240 M HA 0.282 4.746 4.480 -0.027 0.000 0.299 240 M C -1.158 175.170 176.300 0.047 0.000 1.205 240 M CA -0.705 54.598 55.300 0.005 0.000 0.876 240 M CB 2.738 35.322 32.600 -0.026 0.000 1.728 240 M HN 0.330 nan 8.290 nan 0.000 0.458 241 H N 1.956 120.966 119.070 -0.101 0.000 2.689 241 H HA 0.527 5.067 4.556 -0.028 0.000 0.346 241 H C -1.625 173.614 175.328 -0.149 0.000 1.037 241 H CA -0.621 55.363 56.048 -0.108 0.000 1.234 241 H CB 1.128 30.861 29.762 -0.048 0.000 1.572 241 H HN 0.490 nan 8.280 nan 0.000 0.524 242 I N 4.084 124.243 120.570 -0.684 0.000 2.325 242 I HA 0.074 4.228 4.170 -0.027 0.000 0.291 242 I C 0.315 176.118 176.117 -0.523 0.000 1.019 242 I CA -0.349 60.649 61.300 -0.502 0.000 1.302 242 I CB 0.880 38.621 38.000 -0.431 0.000 1.401 242 I HN 0.736 nan 8.210 nan 0.000 0.485 243 D N 6.612 126.890 120.400 -0.203 0.000 2.470 243 D HA 0.252 4.875 4.640 -0.027 0.000 0.226 243 D C 0.559 176.821 176.300 -0.063 0.000 1.196 243 D CA -0.124 53.877 54.000 0.001 0.000 0.979 243 D CB 0.663 41.607 40.800 0.240 0.000 1.059 243 D HN 0.609 nan 8.370 nan 0.000 0.515 244 A N 3.115 125.840 122.820 -0.158 0.000 2.734 244 A HA 0.461 4.765 4.320 -0.027 0.000 0.279 244 A C 1.855 179.420 177.584 -0.033 0.000 1.386 244 A CA 0.322 52.245 52.037 -0.190 0.000 0.987 244 A CB -0.222 18.485 19.000 -0.489 0.000 1.041 244 A HN 0.533 nan 8.150 nan 0.000 0.569 245 A N 0.618 123.458 122.820 0.034 0.000 1.896 245 A HA -0.227 4.076 4.320 -0.027 0.000 0.220 245 A C 2.416 180.122 177.584 0.204 0.000 1.206 245 A CA 2.733 54.830 52.037 0.100 0.000 0.647 245 A CB -0.640 18.373 19.000 0.022 0.000 0.828 245 A HN 0.985 nan 8.150 nan 0.000 0.455 246 S N -1.913 113.901 115.700 0.190 0.000 2.545 246 S HA 0.248 4.701 4.470 -0.027 0.000 0.232 246 S C 2.002 176.758 174.600 0.260 0.000 1.070 246 S CA 0.707 59.141 58.200 0.389 0.000 0.923 246 S CB -0.762 62.742 63.200 0.507 0.000 0.806 246 S HN 0.746 nan 8.310 nan 0.000 0.506 247 G N 1.601 110.424 108.800 0.038 0.000 2.498 247 G HA2 0.117 4.061 3.960 -0.027 0.000 0.219 247 G HA3 0.117 4.061 3.960 -0.027 0.000 0.219 247 G C 1.279 176.068 174.900 -0.184 0.000 1.119 247 G CA 0.628 45.636 45.100 -0.152 0.000 0.766 247 G HN 0.603 nan 8.290 nan 0.000 0.552 248 G N 0.124 108.858 108.800 -0.109 0.000 2.443 248 G HA2 -0.009 3.935 3.960 -0.027 0.000 0.219 248 G HA3 -0.009 3.935 3.960 -0.027 0.000 0.219 248 G C 0.833 175.720 174.900 -0.022 0.000 1.131 248 G CA 0.166 45.160 45.100 -0.176 0.000 0.775 248 G HN 0.373 nan 8.290 nan 0.000 0.547 249 F N -0.143 120.086 119.950 0.466 0.000 2.850 249 F HA 0.520 5.032 4.527 -0.024 0.000 0.306 249 F C 1.214 177.381 175.800 0.611 0.000 1.162 249 F CA -0.329 58.027 58.000 0.594 0.000 1.327 249 F CB 0.457 39.858 39.000 0.667 0.000 0.953 249 F HN -0.027 nan 8.300 nan 0.000 0.507 250 L N -1.157 120.348 121.223 0.470 0.000 2.862 250 L HA 0.318 4.642 4.340 -0.027 0.000 0.169 250 L C 2.450 179.527 176.870 0.345 0.000 1.164 250 L CA 0.728 55.813 54.840 0.408 0.000 0.858 250 L CB -0.926 41.239 42.059 0.177 0.000 1.329 250 L HN 0.032 nan 8.230 nan 0.000 0.514 251 A N 1.046 123.961 122.820 0.157 0.000 1.903 251 A HA -0.154 4.149 4.320 -0.027 0.000 0.219 251 A C -0.427 177.257 177.584 0.167 0.000 1.191 251 A CA 2.196 54.312 52.037 0.132 0.000 0.638 251 A CB -2.012 16.996 19.000 0.013 0.000 0.823 251 A HN 0.273 nan 8.150 nan 0.000 0.451 252 P HA -0.133 nan 4.420 nan 0.000 0.220 252 P C 0.575 177.693 177.300 -0.304 0.000 1.144 252 P CA 1.191 64.194 63.100 -0.163 0.000 0.800 252 P CB -0.094 31.305 31.700 -0.502 0.000 0.772 253 F N -2.221 117.838 119.950 0.181 0.000 2.490 253 F HA 0.040 4.552 4.527 -0.026 0.000 0.280 253 F C 2.052 177.927 175.800 0.125 0.000 1.030 253 F CA 0.396 58.487 58.000 0.152 0.000 1.367 253 F CB -1.097 38.026 39.000 0.205 0.000 1.131 253 F HN -0.301 nan 8.300 nan 0.000 0.632 254 V N -2.497 117.602 119.914 0.309 0.000 3.471 254 V HA 0.566 4.670 4.120 -0.027 0.000 0.258 254 V C 0.748 176.878 176.094 0.059 0.000 1.192 254 V CA 0.546 62.933 62.300 0.145 0.000 1.116 254 V CB -0.488 31.371 31.823 0.060 0.000 0.792 254 V HN 0.170 nan 8.190 nan 0.000 0.459 255 A N 1.281 124.158 122.820 0.095 0.000 3.409 255 A HA 0.645 4.949 4.320 -0.027 0.000 0.282 255 A C -1.747 175.916 177.584 0.131 0.000 1.064 255 A CA -0.529 51.561 52.037 0.088 0.000 0.889 255 A CB 0.453 19.503 19.000 0.085 0.000 1.251 255 A HN 0.275 nan 8.150 nan 0.000 0.538 256 P HA -0.006 nan 4.420 nan 0.000 0.236 256 P C -0.030 177.334 177.300 0.108 0.000 1.177 256 P CA 1.007 64.180 63.100 0.122 0.000 0.773 256 P CB 0.245 32.000 31.700 0.092 0.000 0.878 257 D N -0.602 119.848 120.400 0.084 0.000 2.369 257 D HA 0.066 4.689 4.640 -0.027 0.000 0.211 257 D C 0.830 177.173 176.300 0.071 0.000 1.077 257 D CA -0.316 53.715 54.000 0.050 0.000 0.842 257 D CB -0.797 40.013 40.800 0.017 0.000 0.947 257 D HN 0.186 nan 8.370 nan 0.000 0.509 258 I N 1.824 122.481 120.570 0.145 0.000 2.769 258 I HA -0.050 4.104 4.170 -0.027 0.000 0.285 258 I C -0.015 176.218 176.117 0.193 0.000 1.173 258 I CA -0.107 61.322 61.300 0.216 0.000 1.389 258 I CB 0.436 38.635 38.000 0.332 0.000 1.404 258 I HN -0.146 nan 8.210 nan 0.000 0.544 259 V N 8.037 127.987 119.914 0.061 0.000 2.326 259 V HA 0.018 4.122 4.120 -0.027 0.000 0.249 259 V C 0.768 176.775 176.094 -0.144 0.000 1.114 259 V CA -0.142 62.099 62.300 -0.099 0.000 1.028 259 V CB -0.516 31.230 31.823 -0.129 0.000 1.170 259 V HN 0.943 nan 8.190 nan 0.000 0.494 260 W N 3.111 124.180 121.300 -0.385 0.000 2.592 260 W HA 0.287 4.931 4.660 -0.028 0.000 0.306 260 W C -0.134 175.990 176.519 -0.658 0.000 0.991 260 W CA 0.218 57.181 57.345 -0.636 0.000 1.430 260 W CB -0.004 28.700 29.460 -1.260 0.000 1.017 260 W HN 0.614 nan 8.180 nan 0.000 0.557 261 D N 0.562 120.144 120.400 -1.364 0.000 2.538 261 D HA 0.214 4.838 4.640 -0.027 0.000 0.262 261 D C 0.585 176.388 176.300 -0.828 0.000 1.186 261 D CA -0.716 52.367 54.000 -1.528 0.000 1.090 261 D CB -0.495 39.209 40.800 -1.826 0.000 1.187 261 D HN -0.231 nan 8.370 nan 0.000 0.614 262 F N -0.412 119.274 119.950 -0.441 0.000 2.773 262 F HA 0.151 4.661 4.527 -0.028 0.000 0.299 262 F C 2.114 177.792 175.800 -0.203 0.000 1.204 262 F CA 0.271 58.135 58.000 -0.227 0.000 1.454 262 F CB -0.461 38.474 39.000 -0.108 0.000 1.117 262 F HN 0.016 nan 8.300 nan 0.000 0.590 263 R N -0.188 120.215 120.500 -0.161 0.000 2.235 263 R HA 0.047 4.370 4.340 -0.027 0.000 0.213 263 R C 0.266 176.448 176.300 -0.196 0.000 1.059 263 R CA 0.444 56.431 56.100 -0.189 0.000 0.997 263 R CB -0.074 30.050 30.300 -0.292 0.000 0.884 263 R HN 0.227 nan 8.270 nan 0.000 0.462 264 L N 2.194 123.272 121.223 -0.243 0.000 2.264 264 L HA 0.230 4.553 4.340 -0.027 0.000 0.289 264 L C -1.405 175.412 176.870 -0.089 0.000 1.044 264 L CA -2.028 52.620 54.840 -0.321 0.000 0.807 264 L CB 1.375 43.127 42.059 -0.512 0.000 1.192 264 L HN -0.125 nan 8.230 nan 0.000 0.425 265 P HA -0.166 nan 4.420 nan 0.000 0.218 265 P C 1.189 178.610 177.300 0.201 0.000 1.148 265 P CA 1.376 64.550 63.100 0.123 0.000 0.822 265 P CB 0.220 31.995 31.700 0.126 0.000 0.784 266 R N -0.307 120.418 120.500 0.374 0.000 2.115 266 R HA 0.043 4.367 4.340 -0.027 0.000 0.226 266 R C 0.648 177.032 176.300 0.140 0.000 1.100 266 R CA 0.281 56.503 56.100 0.204 0.000 0.980 266 R CB -0.702 29.612 30.300 0.024 0.000 0.875 266 R HN 0.049 nan 8.270 nan 0.000 0.445 267 V N 2.781 122.756 119.914 0.102 0.000 2.434 267 V HA -0.067 4.036 4.120 -0.027 0.000 0.281 267 V C 0.854 177.015 176.094 0.111 0.000 1.005 267 V CA 0.802 63.092 62.300 -0.018 0.000 1.089 267 V CB 0.789 32.465 31.823 -0.246 0.000 0.978 267 V HN 0.122 nan 8.190 nan 0.000 0.474 268 K N 2.577 123.079 120.400 0.169 0.000 2.354 268 K HA 0.182 4.486 4.320 -0.027 0.000 0.194 268 K C 0.484 177.346 176.600 0.436 0.000 1.038 268 K CA 0.443 56.926 56.287 0.326 0.000 1.052 268 K CB 0.549 33.227 32.500 0.298 0.000 0.861 268 K HN 0.896 nan 8.250 nan 0.000 0.535 269 S N -1.002 114.835 115.700 0.228 0.000 2.543 269 S HA 0.598 5.052 4.470 -0.027 0.000 0.274 269 S C -0.868 173.617 174.600 -0.192 0.000 1.149 269 S CA -1.083 57.172 58.200 0.092 0.000 0.866 269 S CB 1.168 64.256 63.200 -0.186 0.000 1.111 269 S HN -0.031 nan 8.310 nan 0.000 0.457 270 I N 1.934 122.368 120.570 -0.227 0.000 2.730 270 I HA 0.710 4.864 4.170 -0.027 0.000 0.298 270 I C -0.359 175.662 176.117 -0.159 0.000 1.089 270 I CA -0.678 60.326 61.300 -0.494 0.000 1.041 270 I CB 2.616 40.103 38.000 -0.854 0.000 1.235 270 I HN 0.953 nan 8.210 nan 0.000 0.423 271 S N 3.370 118.942 115.700 -0.213 0.000 2.570 271 S HA 0.985 5.439 4.470 -0.027 0.000 0.286 271 S C -0.849 173.816 174.600 0.109 0.000 1.099 271 S CA -0.665 57.597 58.200 0.104 0.000 0.913 271 S CB 2.524 65.845 63.200 0.201 0.000 1.085 271 S HN 0.960 nan 8.310 nan 0.000 0.480 272 A N 1.082 124.112 122.820 0.349 0.000 2.602 272 A HA 0.838 5.142 4.320 -0.027 0.000 0.290 272 A C -0.785 177.032 177.584 0.388 0.000 1.114 272 A CA -0.892 51.374 52.037 0.383 0.000 0.683 272 A CB 1.144 20.471 19.000 0.545 0.000 1.281 272 A HN 0.910 nan 8.150 nan 0.000 0.416 273 S N 0.188 116.094 115.700 0.342 0.000 2.438 273 S HA 0.452 4.906 4.470 -0.027 0.000 0.293 273 S C 1.326 176.082 174.600 0.260 0.000 1.141 273 S CA 0.072 58.349 58.200 0.129 0.000 1.080 273 S CB 1.389 64.616 63.200 0.044 0.000 0.978 273 S HN 1.270 nan 8.310 nan 0.000 0.479 274 G N 1.780 110.621 108.800 0.069 0.000 2.422 274 G HA2 -0.173 3.770 3.960 -0.027 0.000 0.218 274 G HA3 -0.173 3.770 3.960 -0.027 0.000 0.218 274 G C 1.001 175.912 174.900 0.019 0.000 1.140 274 G CA 0.362 45.511 45.100 0.081 0.000 0.775 274 G HN 0.940 nan 8.290 nan 0.000 0.545 275 H N -0.868 118.239 119.070 0.060 0.000 2.539 275 H HA 0.395 4.934 4.556 -0.028 0.000 0.267 275 H C 1.613 176.952 175.328 0.018 0.000 0.982 275 H CA 0.125 56.185 56.048 0.019 0.000 1.146 275 H CB 0.391 30.145 29.762 -0.013 0.000 1.382 275 H HN 0.208 nan 8.280 nan 0.000 0.577 276 K N 0.596 121.143 120.400 0.245 0.000 3.502 276 K HA 0.178 4.482 4.320 -0.027 0.000 0.163 276 K C 0.674 177.260 176.600 -0.022 0.000 1.142 276 K CA -0.061 56.292 56.287 0.111 0.000 1.539 276 K CB 0.126 32.768 32.500 0.238 0.000 2.125 276 K HN -0.002 nan 8.250 nan 0.000 0.491 277 F N 0.860 120.993 119.950 0.305 0.000 2.780 277 F HA 0.136 4.647 4.527 -0.026 0.000 0.299 277 F C 1.801 177.799 175.800 0.331 0.000 1.146 277 F CA 0.395 58.574 58.000 0.298 0.000 1.428 277 F CB -0.274 38.923 39.000 0.328 0.000 1.115 277 F HN 0.447 nan 8.300 nan 0.000 0.583 278 G N 0.014 109.004 108.800 0.317 0.000 2.501 278 G HA2 -0.182 3.762 3.960 -0.027 0.000 0.220 278 G HA3 -0.182 3.762 3.960 -0.027 0.000 0.220 278 G C 1.328 176.251 174.900 0.038 0.000 1.114 278 G CA 0.876 45.838 45.100 -0.229 0.000 0.757 278 G HN 0.493 nan 8.290 nan 0.000 0.559 279 L N -2.504 118.773 121.223 0.090 0.000 5.051 279 L HA -0.228 4.096 4.340 -0.027 0.000 0.432 279 L C 1.422 178.328 176.870 0.060 0.000 1.055 279 L CA 0.093 54.965 54.840 0.054 0.000 1.095 279 L CB -2.199 39.845 42.059 -0.025 0.000 1.957 279 L HN 0.427 nan 8.230 nan 0.000 0.727 280 A N 0.638 123.486 122.820 0.047 0.000 2.351 280 A HA 0.635 4.939 4.320 -0.027 0.000 0.257 280 A C -1.730 175.896 177.584 0.069 0.000 1.087 280 A CA -0.822 51.240 52.037 0.043 0.000 0.798 280 A CB 0.081 19.093 19.000 0.019 0.000 1.033 280 A HN 0.092 nan 8.150 nan 0.000 0.488 281 P HA 0.130 nan 4.420 nan 0.000 0.272 281 P C -0.235 177.098 177.300 0.056 0.000 1.230 281 P CA -0.222 62.892 63.100 0.025 0.000 0.788 281 P CB 0.365 32.047 31.700 -0.031 0.000 0.949 282 L N 0.996 122.227 121.223 0.014 0.000 2.720 282 L HA -0.027 4.297 4.340 -0.027 0.000 0.289 282 L C 1.535 178.445 176.870 0.066 0.000 1.232 282 L CA 1.622 56.450 54.840 -0.020 0.000 0.915 282 L CB -1.206 40.783 42.059 -0.116 0.000 1.184 282 L HN 0.924 nan 8.230 nan 0.000 0.491 283 G N 2.298 111.278 108.800 0.300 0.000 2.226 283 G HA2 -0.182 3.762 3.960 -0.027 0.000 0.176 283 G HA3 -0.182 3.762 3.960 -0.027 0.000 0.176 283 G C -0.453 174.434 174.900 -0.022 0.000 1.042 283 G CA -0.310 44.862 45.100 0.120 0.000 0.732 283 G HN 0.801 nan 8.290 nan 0.000 0.494 284 C N 0.581 119.840 119.300 -0.068 0.000 2.516 284 C HA 0.925 5.369 4.460 -0.027 0.000 0.338 284 C C 0.515 175.148 174.990 -0.595 0.000 1.132 284 C CA 0.663 59.453 59.018 -0.380 0.000 1.310 284 C CB 0.673 28.254 27.740 -0.265 0.000 1.898 284 C HN 1.602 nan 8.230 nan 0.000 0.452 285 G N 3.712 112.091 108.800 -0.702 0.000 2.660 285 G HA2 0.764 4.707 3.960 -0.027 0.000 0.294 285 G HA3 0.764 4.707 3.960 -0.027 0.000 0.294 285 G C -2.054 172.445 174.900 -0.669 0.000 1.369 285 G CA -0.547 44.232 45.100 -0.535 0.000 0.912 285 G HN 0.756 nan 8.290 nan 0.000 0.479 286 W N -0.221 121.160 121.300 0.135 0.000 2.844 286 W HA 0.642 5.285 4.660 -0.029 0.000 0.340 286 W C -0.653 175.982 176.519 0.193 0.000 1.093 286 W CA -1.001 56.456 57.345 0.186 0.000 1.212 286 W CB 2.656 32.281 29.460 0.274 0.000 1.422 286 W HN 0.418 nan 8.180 nan 0.000 0.515 287 V N 5.379 125.531 119.914 0.397 0.000 2.733 287 V HA 0.623 4.726 4.120 -0.027 0.000 0.306 287 V C -1.400 174.781 176.094 0.145 0.000 1.084 287 V CA -0.850 61.551 62.300 0.168 0.000 0.905 287 V CB 1.358 33.103 31.823 -0.129 0.000 1.010 287 V HN 0.426 nan 8.190 nan 0.000 0.424 288 I N 6.095 126.747 120.570 0.137 0.000 2.545 288 I HA 0.487 4.640 4.170 -0.027 0.000 0.292 288 I C -0.632 175.592 176.117 0.178 0.000 1.040 288 I CA -0.505 60.968 61.300 0.288 0.000 1.068 288 I CB 2.042 40.347 38.000 0.508 0.000 1.251 288 I HN 0.613 nan 8.210 nan 0.000 0.424 289 W N 4.865 126.353 121.300 0.313 0.000 2.551 289 W HA 0.357 5.001 4.660 -0.028 0.000 0.330 289 W C 1.447 177.931 176.519 -0.059 0.000 1.063 289 W CA -0.602 56.892 57.345 0.249 0.000 1.222 289 W CB 1.917 31.488 29.460 0.186 0.000 1.349 289 W HN 0.684 nan 8.180 nan 0.000 0.536 290 R N 1.083 121.651 120.500 0.113 0.000 2.113 290 R HA -0.232 4.092 4.340 -0.027 0.000 0.244 290 R C -0.202 175.994 176.300 -0.175 0.000 1.142 290 R CA 2.533 58.434 56.100 -0.332 0.000 0.953 290 R CB -0.076 30.284 30.300 0.100 0.000 0.860 290 R HN 0.608 nan 8.270 nan 0.000 0.438 291 D N -3.185 117.235 120.400 0.032 0.000 2.692 291 D HA 0.053 4.677 4.640 -0.027 0.000 0.290 291 D C 0.074 176.408 176.300 0.058 0.000 1.281 291 D CA -0.686 53.328 54.000 0.023 0.000 0.804 291 D CB 0.258 41.062 40.800 0.006 0.000 1.331 291 D HN -0.096 nan 8.370 nan 0.000 0.432 292 E N 0.332 120.544 120.200 0.019 0.000 2.164 292 E HA -0.280 4.054 4.350 -0.027 0.000 0.206 292 E C 1.189 177.775 176.600 -0.023 0.000 1.032 292 E CA 1.747 58.140 56.400 -0.012 0.000 0.832 292 E CB -0.113 29.578 29.700 -0.015 0.000 0.742 292 E HN 0.661 nan 8.360 nan 0.000 0.460 293 E N 0.059 120.265 120.200 0.011 0.000 2.347 293 E HA -0.008 4.326 4.350 -0.027 0.000 0.196 293 E C 1.846 178.475 176.600 0.047 0.000 1.008 293 E CA 0.539 56.950 56.400 0.019 0.000 0.852 293 E CB 0.021 29.743 29.700 0.037 0.000 0.783 293 E HN 0.246 nan 8.360 nan 0.000 0.505 294 A N 0.540 123.419 122.820 0.099 0.000 2.121 294 A HA -0.057 4.246 4.320 -0.027 0.000 0.218 294 A C 0.950 178.540 177.584 0.010 0.000 1.154 294 A CA 0.478 52.634 52.037 0.199 0.000 0.679 294 A CB 0.064 19.327 19.000 0.439 0.000 0.795 294 A HN 0.143 nan 8.150 nan 0.000 0.458 295 L N 1.034 122.124 121.223 -0.223 0.000 2.277 295 L HA 0.468 4.792 4.340 -0.027 0.000 0.284 295 L C -2.734 173.933 176.870 -0.337 0.000 1.028 295 L CA -2.536 51.997 54.840 -0.513 0.000 0.835 295 L CB 1.192 42.792 42.059 -0.764 0.000 1.215 295 L HN -0.121 nan 8.230 nan 0.000 0.425 296 P HA 0.086 nan 4.420 nan 0.000 0.267 296 P C 0.194 177.307 177.300 -0.313 0.000 1.205 296 P CA -0.165 62.818 63.100 -0.194 0.000 0.765 296 P CB 0.611 32.269 31.700 -0.069 0.000 0.828 297 Q N 2.336 122.007 119.800 -0.215 0.000 2.135 297 Q HA -0.210 4.114 4.340 -0.027 0.000 0.204 297 Q C 1.375 177.195 176.000 -0.300 0.000 0.981 297 Q CA 1.833 57.495 55.803 -0.235 0.000 0.856 297 Q CB -0.310 28.339 28.738 -0.148 0.000 0.902 297 Q HN 0.563 nan 8.270 nan 0.000 0.425 298 E N 0.402 120.453 120.200 -0.248 0.000 2.267 298 E HA -0.128 4.205 4.350 -0.027 0.000 0.197 298 E C 1.895 178.211 176.600 -0.474 0.000 0.998 298 E CA 0.624 56.868 56.400 -0.260 0.000 0.830 298 E CB -0.188 29.495 29.700 -0.028 0.000 0.751 298 E HN 0.300 nan 8.360 nan 0.000 0.491 299 L N -0.015 120.823 121.223 -0.641 0.000 2.270 299 L HA 0.033 4.357 4.340 -0.027 0.000 0.210 299 L C 0.351 176.837 176.870 -0.640 0.000 1.104 299 L CA 0.023 54.371 54.840 -0.819 0.000 0.804 299 L CB 0.207 41.439 42.059 -1.378 0.000 0.937 299 L HN -0.038 nan 8.230 nan 0.000 0.450 300 V N 0.496 120.073 119.914 -0.562 0.000 2.488 300 V HA 0.096 4.200 4.120 -0.027 0.000 0.277 300 V C -0.360 175.560 176.094 -0.291 0.000 1.046 300 V CA -0.069 62.061 62.300 -0.284 0.000 0.986 300 V CB 0.786 32.468 31.823 -0.236 0.000 0.989 300 V HN -0.055 nan 8.190 nan 0.000 0.475 301 F N 3.513 123.488 119.950 0.042 0.000 2.444 301 F HA 0.444 4.955 4.527 -0.027 0.000 0.342 301 F C 0.718 176.565 175.800 0.080 0.000 1.121 301 F CA -0.520 57.520 58.000 0.067 0.000 0.997 301 F CB 1.306 40.372 39.000 0.110 0.000 1.130 301 F HN 0.418 nan 8.300 nan 0.000 0.454 302 N N 2.863 121.702 118.700 0.232 0.000 2.434 302 N HA 0.366 5.090 4.740 -0.027 0.000 0.272 302 N C -1.088 174.539 175.510 0.194 0.000 1.040 302 N CA -0.156 52.995 53.050 0.169 0.000 0.956 302 N CB 2.102 40.645 38.487 0.094 0.000 1.108 302 N HN 0.393 nan 8.380 nan 0.000 0.481 303 V N -0.160 119.864 119.914 0.183 0.000 2.417 303 V HA 0.398 4.502 4.120 -0.027 0.000 0.291 303 V C -0.020 176.189 176.094 0.191 0.000 1.024 303 V CA -1.033 61.377 62.300 0.184 0.000 0.861 303 V CB 1.568 33.501 31.823 0.182 0.000 0.985 303 V HN 0.346 nan 8.190 nan 0.000 0.436 304 D N 3.969 124.459 120.400 0.151 0.000 2.424 304 D HA 0.420 5.044 4.640 -0.027 0.000 0.244 304 D C -0.281 176.140 176.300 0.202 0.000 1.134 304 D CA 0.720 54.790 54.000 0.117 0.000 0.881 304 D CB 0.823 41.662 40.800 0.065 0.000 1.191 304 D HN 0.837 nan 8.370 nan 0.000 0.445 305 Y N -0.483 119.819 120.300 0.003 0.000 2.965 305 Y HA 0.424 4.958 4.550 -0.026 0.000 0.310 305 Y C 0.467 176.360 175.900 -0.012 0.000 1.480 305 Y CA -0.965 57.129 58.100 -0.010 0.000 1.094 305 Y CB 0.155 38.599 38.460 -0.027 0.000 1.377 305 Y HN 0.158 nan 8.280 nan 0.000 0.514 306 L N 0.501 121.727 121.223 0.005 0.000 2.095 306 L HA 0.142 4.466 4.340 -0.027 0.000 0.204 306 L C 2.000 178.732 176.870 -0.230 0.000 1.080 306 L CA 1.501 56.292 54.840 -0.081 0.000 0.759 306 L CB -0.440 41.631 42.059 0.020 0.000 0.914 306 L HN 1.041 nan 8.230 nan 0.000 0.439 307 G N -0.991 107.596 108.800 -0.354 0.000 3.379 307 G HA2 0.417 4.361 3.960 -0.027 0.000 0.253 307 G HA3 0.417 4.361 3.960 -0.027 0.000 0.253 307 G C 0.589 175.159 174.900 -0.550 0.000 1.262 307 G CA 0.531 45.441 45.100 -0.317 0.000 0.959 307 G HN 0.554 nan 8.290 nan 0.000 0.524 308 G N -0.357 108.029 108.800 -0.690 0.000 2.390 308 G HA2 0.159 4.103 3.960 -0.027 0.000 0.202 308 G HA3 0.159 4.103 3.960 -0.027 0.000 0.202 308 G C -0.618 173.949 174.900 -0.555 0.000 1.210 308 G CA -0.029 44.771 45.100 -0.500 0.000 1.271 308 G HN 1.231 nan 8.290 nan 0.000 0.543 309 Q N -0.552 119.073 119.800 -0.291 0.000 2.327 309 Q HA 0.718 5.041 4.340 -0.027 0.000 0.265 309 Q C -1.750 174.368 176.000 0.198 0.000 0.993 309 Q CA -0.922 54.885 55.803 0.006 0.000 0.885 309 Q CB 1.728 30.474 28.738 0.013 0.000 1.379 309 Q HN 0.761 nan 8.270 nan 0.000 0.408 310 I N 1.823 122.593 120.570 0.333 0.000 2.493 310 I HA 0.593 4.747 4.170 -0.027 0.000 0.298 310 I C 0.322 176.514 176.117 0.125 0.000 0.998 310 I CA -1.031 60.387 61.300 0.197 0.000 1.137 310 I CB 2.106 40.178 38.000 0.120 0.000 1.310 310 I HN 0.858 nan 8.210 nan 0.000 0.445 311 G N 3.018 111.877 108.800 0.098 0.000 2.325 311 G HA2 0.536 4.479 3.960 -0.027 0.000 0.298 311 G HA3 0.536 4.479 3.960 -0.027 0.000 0.298 311 G C -0.378 174.600 174.900 0.130 0.000 1.134 311 G CA -0.215 44.946 45.100 0.102 0.000 0.876 311 G HN 0.582 nan 8.290 nan 0.000 0.452 312 T N -0.543 114.125 114.554 0.190 0.000 2.841 312 T HA 0.610 4.944 4.350 -0.027 0.000 0.283 312 T C -1.158 173.776 174.700 0.390 0.000 1.000 312 T CA -0.844 61.414 62.100 0.264 0.000 0.977 312 T CB 1.864 70.870 68.868 0.231 0.000 0.979 312 T HN 0.279 nan 8.240 nan 0.000 0.446 313 F N 2.917 122.980 119.950 0.188 0.000 2.366 313 F HA 0.756 5.267 4.527 -0.027 0.000 0.366 313 F C -0.514 175.423 175.800 0.229 0.000 1.096 313 F CA -1.583 56.516 58.000 0.164 0.000 1.060 313 F CB 0.180 39.190 39.000 0.017 0.000 1.282 313 F HN 1.118 nan 8.300 nan 0.000 0.450 314 A N 6.249 129.176 122.820 0.178 0.000 2.565 314 A HA 0.472 4.776 4.320 -0.027 0.000 0.298 314 A C -0.194 177.455 177.584 0.109 0.000 1.062 314 A CA -0.571 51.510 52.037 0.073 0.000 0.723 314 A CB 0.428 19.574 19.000 0.244 0.000 1.282 314 A HN 0.615 nan 8.150 nan 0.000 0.400 315 I N 0.996 121.586 120.570 0.032 0.000 2.277 315 I HA -0.089 4.065 4.170 -0.027 0.000 0.243 315 I C 1.128 177.312 176.117 0.112 0.000 1.094 315 I CA 0.572 61.920 61.300 0.080 0.000 1.393 315 I CB -0.088 37.954 38.000 0.069 0.000 1.078 315 I HN 0.644 nan 8.210 nan 0.000 0.417 316 N N 0.134 118.885 118.700 0.086 0.000 2.354 316 N HA 0.051 4.774 4.740 -0.027 0.000 0.246 316 N C 0.126 175.806 175.510 0.284 0.000 1.285 316 N CA 0.201 53.325 53.050 0.122 0.000 0.925 316 N CB 1.242 39.741 38.487 0.020 0.000 1.174 316 N HN -0.005 nan 8.380 nan 0.000 0.478 317 F N 0.136 120.150 119.950 0.107 0.000 2.138 317 F HA 0.247 4.758 4.527 -0.027 0.000 0.212 317 F C 0.638 176.558 175.800 0.200 0.000 1.162 317 F CA -0.163 57.929 58.000 0.154 0.000 1.251 317 F CB -0.439 38.608 39.000 0.078 0.000 1.676 317 F HN 0.210 nan 8.300 nan 0.000 0.409 318 S N 2.295 118.143 115.700 0.247 0.000 2.549 318 S HA 0.506 4.960 4.470 -0.027 0.000 0.283 318 S C -0.773 173.897 174.600 0.118 0.000 1.320 318 S CA -0.321 57.950 58.200 0.119 0.000 1.058 318 S CB 0.092 63.391 63.200 0.165 0.000 0.882 318 S HN 0.495 nan 8.310 nan 0.000 0.498 319 R N 0.855 121.413 120.500 0.096 0.000 2.825 319 R HA 0.373 4.696 4.340 -0.027 0.000 0.274 319 R C -3.680 172.640 176.300 0.033 0.000 1.026 319 R CA -1.733 54.392 56.100 0.042 0.000 0.867 319 R CB 0.079 30.377 30.300 -0.005 0.000 1.268 319 R HN 0.278 nan 8.270 nan 0.000 0.491 320 P HA 0.037 nan 4.420 nan 0.000 0.269 320 P C -0.082 177.203 177.300 -0.025 0.000 1.215 320 P CA -0.030 63.040 63.100 -0.049 0.000 0.780 320 P CB 1.079 32.739 31.700 -0.067 0.000 0.898 321 A N 2.447 125.247 122.820 -0.034 0.000 2.238 321 A HA 0.178 4.482 4.320 -0.027 0.000 0.210 321 A C 2.192 179.762 177.584 -0.024 0.000 1.179 321 A CA 1.046 53.092 52.037 0.015 0.000 0.827 321 A CB -1.256 17.753 19.000 0.014 0.000 0.856 321 A HN 0.596 nan 8.150 nan 0.000 0.488 322 G N 0.425 109.191 108.800 -0.056 0.000 2.681 322 G HA2 -0.400 3.543 3.960 -0.027 0.000 0.220 322 G HA3 -0.400 3.543 3.960 -0.027 0.000 0.220 322 G C 1.443 176.321 174.900 -0.037 0.000 1.210 322 G CA 1.613 46.681 45.100 -0.053 0.000 0.783 322 G HN 0.512 nan 8.290 nan 0.000 0.609 323 Q N -0.204 119.562 119.800 -0.057 0.000 2.045 323 Q HA -0.088 4.236 4.340 -0.027 0.000 0.206 323 Q C 2.875 178.863 176.000 -0.020 0.000 0.991 323 Q CA 1.580 57.349 55.803 -0.056 0.000 0.851 323 Q CB -1.000 27.674 28.738 -0.105 0.000 0.911 323 Q HN 0.313 nan 8.270 nan 0.000 0.418 324 V N 0.446 120.348 119.914 -0.019 0.000 2.278 324 V HA -0.315 3.789 4.120 -0.027 0.000 0.251 324 V C 2.024 178.200 176.094 0.136 0.000 1.062 324 V CA 2.027 64.382 62.300 0.091 0.000 1.038 324 V CB -0.511 31.390 31.823 0.130 0.000 0.646 324 V HN 0.360 nan 8.190 nan 0.000 0.447 325 I N -0.051 120.573 120.570 0.091 0.000 2.142 325 I HA -0.219 3.935 4.170 -0.027 0.000 0.240 325 I C 2.668 178.880 176.117 0.158 0.000 1.078 325 I CA 1.517 62.887 61.300 0.116 0.000 1.343 325 I CB -0.744 37.292 38.000 0.059 0.000 1.046 325 I HN 0.284 nan 8.210 nan 0.000 0.405 326 A N 0.435 123.308 122.820 0.087 0.000 1.892 326 A HA -0.338 3.965 4.320 -0.027 0.000 0.218 326 A C 2.281 179.940 177.584 0.125 0.000 1.188 326 A CA 2.350 54.450 52.037 0.104 0.000 0.631 326 A CB -0.833 18.187 19.000 0.034 0.000 0.822 326 A HN 0.500 nan 8.150 nan 0.000 0.447 327 Q N -1.757 118.066 119.800 0.037 0.000 2.181 327 Q HA -0.223 4.101 4.340 -0.027 0.000 0.205 327 Q C 1.774 177.543 176.000 -0.385 0.000 0.980 327 Q CA 2.243 57.956 55.803 -0.150 0.000 0.862 327 Q CB -0.561 28.151 28.738 -0.044 0.000 0.905 327 Q HN 0.734 nan 8.270 nan 0.000 0.429 328 Y N -0.390 119.789 120.300 -0.202 0.000 2.133 328 Y HA -0.253 4.279 4.550 -0.030 0.000 0.287 328 Y C 2.036 177.962 175.900 0.043 0.000 1.134 328 Y CA 1.902 59.946 58.100 -0.093 0.000 1.133 328 Y CB -0.887 37.608 38.460 0.059 0.000 0.987 328 Y HN 0.326 nan 8.280 nan 0.000 0.502 329 Y N 1.537 121.863 120.300 0.044 0.000 2.062 329 Y HA -0.367 4.174 4.550 -0.015 0.000 0.276 329 Y C 2.279 178.164 175.900 -0.025 0.000 1.189 329 Y CA 2.454 60.552 58.100 -0.004 0.000 1.130 329 Y CB -0.655 37.835 38.460 0.050 0.000 0.959 329 Y HN 0.193 nan 8.280 nan 0.000 0.499 330 E N 0.059 120.203 120.200 -0.094 0.000 2.048 330 E HA -0.244 4.090 4.350 -0.027 0.000 0.202 330 E C 2.112 178.749 176.600 0.061 0.000 1.021 330 E CA 1.900 58.230 56.400 -0.117 0.000 0.825 330 E CB -0.989 28.726 29.700 0.024 0.000 0.756 330 E HN 0.496 nan 8.360 nan 0.000 0.454 331 F N 0.724 120.664 119.950 -0.018 0.000 2.095 331 F HA -0.136 4.376 4.527 -0.024 0.000 0.298 331 F C 2.580 178.275 175.800 -0.175 0.000 1.104 331 F CA 0.552 58.520 58.000 -0.054 0.000 1.232 331 F CB -1.187 37.734 39.000 -0.131 0.000 0.987 331 F HN 0.005 nan 8.300 nan 0.000 0.475 332 L N 0.075 121.202 121.223 -0.161 0.000 2.027 332 L HA -0.201 4.123 4.340 -0.027 0.000 0.206 332 L C 2.808 179.588 176.870 -0.149 0.000 1.074 332 L CA 1.661 56.364 54.840 -0.229 0.000 0.745 332 L CB -0.430 41.418 42.059 -0.352 0.000 0.898 332 L HN 0.159 nan 8.230 nan 0.000 0.433 333 R N 0.001 120.358 120.500 -0.238 0.000 2.119 333 R HA -0.098 4.226 4.340 -0.027 0.000 0.222 333 R C 1.924 178.145 176.300 -0.132 0.000 1.088 333 R CA 1.059 57.016 56.100 -0.237 0.000 0.984 333 R CB -0.178 29.822 30.300 -0.500 0.000 0.884 333 R HN 0.338 nan 8.270 nan 0.000 0.447 334 L N 0.319 121.497 121.223 -0.074 0.000 2.189 334 L HA 0.246 4.569 4.340 -0.027 0.000 0.199 334 L C 1.291 178.205 176.870 0.074 0.000 1.074 334 L CA 0.681 55.517 54.840 -0.006 0.000 0.783 334 L CB -0.583 41.459 42.059 -0.028 0.000 0.955 334 L HN 0.565 nan 8.230 nan 0.000 0.460 335 G N 0.045 108.924 108.800 0.132 0.000 2.697 335 G HA2 -0.336 3.607 3.960 -0.027 0.000 0.240 335 G HA3 -0.336 3.607 3.960 -0.027 0.000 0.240 335 G C 0.446 175.420 174.900 0.125 0.000 1.346 335 G CA 0.384 45.534 45.100 0.084 0.000 0.887 335 G HN 0.209 nan 8.290 nan 0.000 0.569 336 R N -0.142 120.431 120.500 0.122 0.000 2.092 336 R HA -0.032 4.291 4.340 -0.027 0.000 0.231 336 R C 2.606 179.007 176.300 0.167 0.000 1.119 336 R CA 1.891 58.132 56.100 0.235 0.000 0.970 336 R CB -0.248 30.166 30.300 0.190 0.000 0.864 336 R HN 0.722 nan 8.270 nan 0.000 0.440 337 E N -0.716 119.542 120.200 0.097 0.000 2.015 337 E HA -0.142 4.192 4.350 -0.027 0.000 0.191 337 E C 1.940 178.559 176.600 0.033 0.000 0.991 337 E CA 1.283 57.721 56.400 0.064 0.000 0.802 337 E CB -0.223 29.501 29.700 0.040 0.000 0.759 337 E HN 0.411 nan 8.360 nan 0.000 0.447 338 G N -0.135 108.676 108.800 0.019 0.000 2.491 338 G HA2 -0.301 3.643 3.960 -0.027 0.000 0.218 338 G HA3 -0.301 3.643 3.960 -0.027 0.000 0.218 338 G C 1.251 176.090 174.900 -0.102 0.000 1.180 338 G CA 1.280 46.357 45.100 -0.037 0.000 0.774 338 G HN 0.295 nan 8.290 nan 0.000 0.562 339 Y N 1.236 121.348 120.300 -0.314 0.000 2.181 339 Y HA -0.118 4.416 4.550 -0.027 0.000 0.288 339 Y C 3.428 179.082 175.900 -0.410 0.000 1.146 339 Y CA 1.766 59.530 58.100 -0.559 0.000 1.164 339 Y CB -0.736 36.867 38.460 -1.429 0.000 0.982 339 Y HN 0.156 nan 8.280 nan 0.000 0.515 340 T N -0.051 114.449 114.554 -0.090 0.000 2.653 340 T HA -0.269 4.065 4.350 -0.027 0.000 0.268 340 T C 1.820 176.554 174.700 0.056 0.000 1.035 340 T CA 2.087 64.245 62.100 0.096 0.000 1.154 340 T CB -0.245 68.718 68.868 0.159 0.000 0.862 340 T HN 0.261 nan 8.240 nan 0.000 0.441 341 K N 0.252 120.655 120.400 0.005 0.000 2.025 341 K HA 0.008 4.312 4.320 -0.027 0.000 0.207 341 K C 2.350 178.930 176.600 -0.032 0.000 1.049 341 K CA 0.742 57.023 56.287 -0.009 0.000 0.933 341 K CB -0.533 31.952 32.500 -0.026 0.000 0.714 341 K HN 0.089 nan 8.250 nan 0.000 0.438 342 V N 1.794 121.653 119.914 -0.091 0.000 2.231 342 V HA -0.312 3.792 4.120 -0.027 0.000 0.248 342 V C 2.348 178.424 176.094 -0.031 0.000 1.054 342 V CA 1.777 64.006 62.300 -0.118 0.000 1.015 342 V CB -0.537 31.141 31.823 -0.241 0.000 0.638 342 V HN 0.369 nan 8.190 nan 0.000 0.444 343 Q N -0.177 119.640 119.800 0.029 0.000 2.152 343 Q HA -0.255 4.069 4.340 -0.027 0.000 0.206 343 Q C 2.015 178.140 176.000 0.209 0.000 0.985 343 Q CA 2.046 57.931 55.803 0.136 0.000 0.863 343 Q CB -1.000 27.898 28.738 0.267 0.000 0.904 343 Q HN 0.761 nan 8.270 nan 0.000 0.422 344 N N 0.327 119.136 118.700 0.181 0.000 2.069 344 N HA -0.168 4.556 4.740 -0.027 0.000 0.191 344 N C 1.709 177.293 175.510 0.124 0.000 1.031 344 N CA 1.577 54.735 53.050 0.180 0.000 0.852 344 N CB -0.131 38.414 38.487 0.097 0.000 1.018 344 N HN 0.322 nan 8.380 nan 0.000 0.423 345 A N 0.060 122.907 122.820 0.046 0.000 1.892 345 A HA -0.205 4.098 4.320 -0.027 0.000 0.218 345 A C 2.300 179.886 177.584 0.005 0.000 1.188 345 A CA 2.110 54.148 52.037 0.002 0.000 0.631 345 A CB -0.981 17.991 19.000 -0.046 0.000 0.822 345 A HN 0.325 nan 8.150 nan 0.000 0.447 346 S N -1.447 114.252 115.700 -0.003 0.000 2.359 346 S HA -0.185 4.269 4.470 -0.027 0.000 0.224 346 S C 1.812 176.376 174.600 -0.060 0.000 1.035 346 S CA 1.703 59.880 58.200 -0.038 0.000 1.018 346 S CB -0.597 62.561 63.200 -0.071 0.000 0.876 346 S HN 0.644 nan 8.310 nan 0.000 0.448 347 Y N 2.082 122.380 120.300 -0.004 0.000 2.333 347 Y HA -0.099 4.435 4.550 -0.027 0.000 0.290 347 Y C 2.588 178.483 175.900 -0.007 0.000 1.144 347 Y CA 0.891 58.980 58.100 -0.019 0.000 1.228 347 Y CB -0.378 38.065 38.460 -0.029 0.000 0.985 347 Y HN 0.359 nan 8.280 nan 0.000 0.542 348 Q N -1.132 118.749 119.800 0.135 0.000 2.137 348 Q HA -0.109 4.214 4.340 -0.027 0.000 0.198 348 Q C 2.336 178.379 176.000 0.071 0.000 0.960 348 Q CA 1.417 57.269 55.803 0.080 0.000 0.847 348 Q CB -0.205 28.553 28.738 0.033 0.000 0.915 348 Q HN 0.306 nan 8.270 nan 0.000 0.448 349 V N 1.122 121.059 119.914 0.038 0.000 2.295 349 V HA -0.274 3.830 4.120 -0.027 0.000 0.246 349 V C 2.292 178.440 176.094 0.090 0.000 1.049 349 V CA 1.942 64.260 62.300 0.030 0.000 1.024 349 V CB -0.957 30.836 31.823 -0.051 0.000 0.648 349 V HN 0.390 nan 8.190 nan 0.000 0.447 350 A N -0.121 122.742 122.820 0.073 0.000 1.902 350 A HA -0.104 4.200 4.320 -0.027 0.000 0.217 350 A C 2.408 180.022 177.584 0.049 0.000 1.181 350 A CA 2.133 54.211 52.037 0.069 0.000 0.623 350 A CB -0.765 18.257 19.000 0.036 0.000 0.818 350 A HN 0.565 nan 8.150 nan 0.000 0.443 351 A N -1.242 121.617 122.820 0.065 0.000 1.858 351 A HA -0.096 4.208 4.320 -0.027 0.000 0.216 351 A C 2.099 179.687 177.584 0.006 0.000 1.190 351 A CA 1.689 53.741 52.037 0.025 0.000 0.617 351 A CB -1.056 17.974 19.000 0.049 0.000 0.827 351 A HN 0.696 nan 8.150 nan 0.000 0.443 352 Y N 0.594 120.859 120.300 -0.058 0.000 2.030 352 Y HA -0.308 4.226 4.550 -0.027 0.000 0.272 352 Y C 2.094 177.939 175.900 -0.092 0.000 1.185 352 Y CA 2.240 60.295 58.100 -0.075 0.000 1.120 352 Y CB -0.625 37.791 38.460 -0.074 0.000 0.955 352 Y HN 0.236 nan 8.280 nan 0.000 0.495 353 L N -0.623 120.530 121.223 -0.117 0.000 2.042 353 L HA -0.288 4.036 4.340 -0.027 0.000 0.210 353 L C 2.741 179.470 176.870 -0.235 0.000 1.076 353 L CA 1.381 56.104 54.840 -0.196 0.000 0.749 353 L CB -0.963 41.085 42.059 -0.019 0.000 0.893 353 L HN 0.399 nan 8.230 nan 0.000 0.432 354 A N -0.641 122.074 122.820 -0.175 0.000 1.969 354 A HA -0.217 4.087 4.320 -0.027 0.000 0.218 354 A C 1.836 179.160 177.584 -0.433 0.000 1.169 354 A CA 1.950 53.833 52.037 -0.256 0.000 0.635 354 A CB -0.435 18.409 19.000 -0.259 0.000 0.810 354 A HN 0.344 nan 8.150 nan 0.000 0.445 355 D N -0.718 119.466 120.400 -0.361 0.000 2.234 355 D HA -0.042 4.581 4.640 -0.027 0.000 0.205 355 D C 1.976 178.078 176.300 -0.329 0.000 0.962 355 D CA 0.755 54.553 54.000 -0.336 0.000 0.855 355 D CB 0.011 40.663 40.800 -0.248 0.000 0.951 355 D HN 0.359 nan 8.370 nan 0.000 0.500 356 E N 0.038 119.983 120.200 -0.426 0.000 2.086 356 E HA 0.032 4.365 4.350 -0.027 0.000 0.190 356 E C 2.367 178.790 176.600 -0.296 0.000 0.975 356 E CA 0.172 56.324 56.400 -0.415 0.000 0.813 356 E CB 0.013 29.321 29.700 -0.653 0.000 0.768 356 E HN 0.346 nan 8.360 nan 0.000 0.457 357 I N 1.397 121.776 120.570 -0.319 0.000 2.226 357 I HA -0.239 3.915 4.170 -0.027 0.000 0.245 357 I C 2.389 178.510 176.117 0.008 0.000 1.100 357 I CA 0.963 62.084 61.300 -0.298 0.000 1.374 357 I CB -0.356 37.355 38.000 -0.481 0.000 1.057 357 I HN -0.021 nan 8.210 nan 0.000 0.413 358 A N 0.701 123.574 122.820 0.089 0.000 2.093 358 A HA -0.255 4.049 4.320 -0.027 0.000 0.222 358 A C 2.175 179.810 177.584 0.085 0.000 1.162 358 A CA 1.751 53.918 52.037 0.216 0.000 0.655 358 A CB -0.506 18.461 19.000 -0.056 0.000 0.805 358 A HN 0.429 nan 8.150 nan 0.000 0.461 359 K N -0.941 119.459 120.400 -0.001 0.000 2.361 359 K HA 0.263 4.567 4.320 -0.027 0.000 0.196 359 K C 0.994 177.593 176.600 -0.003 0.000 1.039 359 K CA 0.331 56.605 56.287 -0.022 0.000 1.001 359 K CB 0.041 32.509 32.500 -0.053 0.000 0.795 359 K HN 0.464 nan 8.250 nan 0.000 0.495 360 L N 0.011 121.264 121.223 0.050 0.000 2.607 360 L HA 0.202 4.525 4.340 -0.027 0.000 0.228 360 L C 0.746 177.645 176.870 0.048 0.000 1.123 360 L CA -0.390 54.519 54.840 0.116 0.000 0.890 360 L CB 0.545 42.745 42.059 0.235 0.000 1.103 360 L HN 0.147 nan 8.230 nan 0.000 0.468 361 G N -0.220 108.430 108.800 -0.250 0.000 2.322 361 G HA2 0.190 4.134 3.960 -0.027 0.000 0.295 361 G HA3 0.190 4.134 3.960 -0.027 0.000 0.295 361 G C -3.006 171.413 174.900 -0.801 0.000 1.369 361 G CA -0.552 44.182 45.100 -0.611 0.000 0.821 361 G HN -0.295 nan 8.290 nan 0.000 0.536 362 P HA 0.308 nan 4.420 nan 0.000 0.244 362 P C -1.375 175.784 177.300 -0.235 0.000 1.769 362 P CA 0.066 62.973 63.100 -0.322 0.000 1.102 362 P CB -0.523 31.057 31.700 -0.201 0.000 1.937 363 Y N -0.007 120.293 120.300 0.000 0.000 2.409 363 Y HA 0.446 4.980 4.550 -0.027 0.000 0.339 363 Y C 0.848 176.703 175.900 -0.076 0.000 1.033 363 Y CA -1.595 56.459 58.100 -0.077 0.000 1.094 363 Y CB 1.866 40.127 38.460 -0.332 0.000 1.210 363 Y HN 0.234 nan 8.280 nan 0.000 0.456 364 E N 3.428 123.678 120.200 0.083 0.000 2.165 364 E HA 0.361 4.695 4.350 -0.027 0.000 0.266 364 E C -1.772 174.853 176.600 0.041 0.000 0.889 364 E CA -0.611 55.852 56.400 0.104 0.000 0.756 364 E CB 0.711 30.464 29.700 0.089 0.000 1.131 364 E HN 0.478 nan 8.360 nan 0.000 0.411 365 F N 4.693 124.715 119.950 0.120 0.000 2.420 365 F HA 0.269 4.779 4.527 -0.028 0.000 0.352 365 F C 1.298 177.165 175.800 0.111 0.000 1.108 365 F CA -0.388 57.689 58.000 0.128 0.000 1.162 365 F CB 0.821 39.864 39.000 0.071 0.000 1.118 365 F HN 0.535 nan 8.300 nan 0.000 0.510 366 I N 1.266 121.980 120.570 0.241 0.000 3.226 366 I HA -0.009 4.144 4.170 -0.027 0.000 0.277 366 I C 0.406 176.670 176.117 0.244 0.000 1.243 366 I CA 0.680 62.111 61.300 0.217 0.000 1.459 366 I CB 0.135 38.239 38.000 0.172 0.000 1.093 366 I HN 0.449 nan 8.210 nan 0.000 0.453 367 C N 0.761 120.220 119.300 0.264 0.000 2.871 367 C HA 0.348 4.791 4.460 -0.027 0.000 0.378 367 C C 0.959 176.072 174.990 0.204 0.000 1.052 367 C CA -0.339 58.791 59.018 0.186 0.000 1.250 367 C CB 0.902 28.718 27.740 0.127 0.000 1.689 367 C HN 0.469 nan 8.230 nan 0.000 0.506 368 T N 0.144 114.754 114.554 0.092 0.000 3.132 368 T HA 0.398 4.731 4.350 -0.027 0.000 0.274 368 T C 1.136 175.835 174.700 -0.001 0.000 1.011 368 T CA 0.732 62.832 62.100 0.001 0.000 0.899 368 T CB 0.194 68.990 68.868 -0.120 0.000 1.089 368 T HN 2.231 nan 8.240 nan 0.000 0.543 369 G N 2.601 111.421 108.800 0.033 0.000 2.246 369 G HA2 -0.228 3.716 3.960 -0.027 0.000 0.273 369 G HA3 -0.228 3.716 3.960 -0.027 0.000 0.273 369 G C -0.174 174.813 174.900 0.146 0.000 1.055 369 G CA -0.594 44.550 45.100 0.073 0.000 0.851 369 G HN 0.535 nan 8.290 nan 0.000 0.500 370 R N -0.711 119.819 120.500 0.050 0.000 2.368 370 R HA 0.429 4.753 4.340 -0.027 0.000 0.302 370 R C -1.542 174.671 176.300 -0.144 0.000 1.002 370 R CA -2.733 53.352 56.100 -0.026 0.000 0.929 370 R CB 1.015 31.296 30.300 -0.031 0.000 1.073 370 R HN 0.029 nan 8.270 nan 0.000 0.464 371 P HA -0.089 nan 4.420 nan 0.000 0.228 371 P C 0.222 177.405 177.300 -0.195 0.000 1.151 371 P CA 1.055 63.706 63.100 -0.748 0.000 0.770 371 P CB 0.286 31.483 31.700 -0.839 0.000 0.786 372 D N -1.575 118.792 120.400 -0.056 0.000 2.398 372 D HA 0.021 4.645 4.640 -0.027 0.000 0.210 372 D C 1.185 177.643 176.300 0.264 0.000 1.094 372 D CA 0.226 54.300 54.000 0.124 0.000 0.839 372 D CB 0.032 40.880 40.800 0.079 0.000 0.963 372 D HN 0.179 nan 8.370 nan 0.000 0.506 373 E N -0.047 120.210 120.200 0.094 0.000 2.391 373 E HA 0.342 4.675 4.350 -0.027 0.000 0.206 373 E C 0.873 177.232 176.600 -0.402 0.000 0.851 373 E CA 0.229 56.672 56.400 0.071 0.000 1.059 373 E CB 1.368 31.089 29.700 0.036 0.000 1.065 373 E HN 0.283 nan 8.360 nan 0.000 0.512 374 G N 0.792 109.143 108.800 -0.749 0.000 2.500 374 G HA2 0.345 4.288 3.960 -0.027 0.000 0.299 374 G HA3 0.345 4.288 3.960 -0.027 0.000 0.299 374 G C -1.101 173.228 174.900 -0.952 0.000 1.242 374 G CA -0.708 43.570 45.100 -1.371 0.000 0.859 374 G HN 0.109 nan 8.290 nan 0.000 0.481 375 I N -1.263 118.900 120.570 -0.679 0.000 3.110 375 I HA 0.625 4.779 4.170 -0.027 0.000 0.314 375 I C -2.249 173.642 176.117 -0.378 0.000 1.020 375 I CA -2.413 58.614 61.300 -0.454 0.000 1.169 375 I CB 1.655 39.460 38.000 -0.325 0.000 1.437 375 I HN 0.132 nan 8.210 nan 0.000 0.595 376 P HA 0.311 nan 4.420 nan 0.000 0.252 376 P C -1.041 176.154 177.300 -0.174 0.000 1.727 376 P CA 0.080 62.862 63.100 -0.529 0.000 1.134 376 P CB 0.040 31.279 31.700 -0.768 0.000 1.876 377 A N 2.573 125.335 122.820 -0.096 0.000 2.515 377 A HA 0.637 4.941 4.320 -0.027 0.000 0.298 377 A C -0.985 176.616 177.584 0.029 0.000 1.059 377 A CA -0.650 51.364 52.037 -0.038 0.000 0.698 377 A CB 1.601 20.564 19.000 -0.062 0.000 1.289 377 A HN 0.126 nan 8.150 nan 0.000 0.404 378 V N 0.357 120.317 119.914 0.077 0.000 2.435 378 V HA 0.578 4.682 4.120 -0.027 0.000 0.290 378 V C -0.311 175.903 176.094 0.201 0.000 1.030 378 V CA -0.485 61.922 62.300 0.178 0.000 0.881 378 V CB 1.100 33.053 31.823 0.216 0.000 0.983 378 V HN 1.068 nan 8.190 nan 0.000 0.445 379 C N 7.847 127.305 119.300 0.263 0.000 2.432 379 C HA 0.874 5.317 4.460 -0.027 0.000 0.334 379 C C -0.826 174.247 174.990 0.138 0.000 1.155 379 C CA -0.745 58.348 59.018 0.126 0.000 1.335 379 C CB -0.224 27.573 27.740 0.095 0.000 1.964 379 C HN 0.849 nan 8.230 nan 0.000 0.444 380 F N 4.205 123.993 119.950 -0.270 0.000 2.664 380 F HA 0.857 5.368 4.527 -0.028 0.000 0.317 380 F C -0.937 174.648 175.800 -0.359 0.000 1.108 380 F CA -0.963 56.770 58.000 -0.445 0.000 0.957 380 F CB 1.180 39.570 39.000 -1.016 0.000 1.365 380 F HN 0.644 nan 8.300 nan 0.000 0.475 381 K N 1.322 121.642 120.400 -0.134 0.000 2.480 381 K HA 0.658 4.962 4.320 -0.027 0.000 0.258 381 K C -1.626 175.018 176.600 0.074 0.000 0.990 381 K CA -0.936 55.269 56.287 -0.136 0.000 0.857 381 K CB 2.334 34.761 32.500 -0.121 0.000 1.384 381 K HN 0.872 nan 8.250 nan 0.000 0.446 382 L N 2.115 123.384 121.223 0.077 0.000 2.453 382 L HA 0.176 4.499 4.340 -0.027 0.000 0.272 382 L C 0.573 177.475 176.870 0.052 0.000 1.182 382 L CA -0.302 54.616 54.840 0.130 0.000 0.858 382 L CB 0.438 42.529 42.059 0.054 0.000 1.120 382 L HN 0.668 nan 8.230 nan 0.000 0.474 383 K N 1.781 122.209 120.400 0.047 0.000 2.527 383 K HA -0.048 4.256 4.320 -0.027 0.000 0.278 383 K C -0.434 176.164 176.600 -0.004 0.000 0.981 383 K CA -0.284 56.012 56.287 0.016 0.000 1.009 383 K CB 0.303 32.804 32.500 0.002 0.000 0.895 383 K HN 0.413 nan 8.250 nan 0.000 0.493 384 D N 1.079 121.476 120.400 -0.004 0.000 2.443 384 D HA 0.069 4.693 4.640 -0.027 0.000 0.239 384 D C 1.138 177.428 176.300 -0.017 0.000 1.136 384 D CA 1.231 55.224 54.000 -0.011 0.000 0.879 384 D CB 0.828 41.623 40.800 -0.008 0.000 1.195 384 D HN 0.737 nan 8.370 nan 0.000 0.443 385 G N 1.518 110.305 108.800 -0.021 0.000 2.175 385 G HA2 -0.321 3.623 3.960 -0.027 0.000 0.265 385 G HA3 -0.321 3.623 3.960 -0.027 0.000 0.265 385 G C 0.368 175.248 174.900 -0.034 0.000 0.979 385 G CA 0.608 45.694 45.100 -0.024 0.000 0.663 385 G HN 0.509 nan 8.290 nan 0.000 0.533 386 E N 0.248 120.422 120.200 -0.043 0.000 2.183 386 E HA 0.568 4.901 4.350 -0.027 0.000 0.271 386 E C -1.152 175.396 176.600 -0.088 0.000 0.919 386 E CA -0.784 55.578 56.400 -0.063 0.000 0.781 386 E CB 1.229 30.888 29.700 -0.067 0.000 1.140 386 E HN 0.101 nan 8.360 nan 0.000 0.402 387 D N 4.719 125.058 120.400 -0.103 0.000 2.389 387 D HA 0.254 4.878 4.640 -0.027 0.000 0.256 387 D C -1.881 174.309 176.300 -0.182 0.000 1.239 387 D CA -1.767 52.152 54.000 -0.135 0.000 0.925 387 D CB 1.278 42.025 40.800 -0.089 0.000 1.145 387 D HN 0.291 nan 8.370 nan 0.000 0.542 388 P HA 0.221 nan 4.420 nan 0.000 0.245 388 P C 0.773 177.882 177.300 -0.319 0.000 1.212 388 P CA 0.454 63.337 63.100 -0.361 0.000 0.774 388 P CB 0.488 31.819 31.700 -0.614 0.000 0.999 389 G N -0.357 108.279 108.800 -0.274 0.000 2.148 389 G HA2 -0.153 3.791 3.960 -0.027 0.000 0.203 389 G HA3 -0.153 3.791 3.960 -0.027 0.000 0.203 389 G C -0.274 174.655 174.900 0.049 0.000 0.993 389 G CA -0.093 44.968 45.100 -0.066 0.000 0.661 389 G HN 0.547 nan 8.290 nan 0.000 0.518 390 Y N -1.477 118.850 120.300 0.044 0.000 2.604 390 Y HA 0.719 5.253 4.550 -0.027 0.000 0.331 390 Y C -0.092 175.841 175.900 0.056 0.000 1.158 390 Y CA -1.004 57.128 58.100 0.055 0.000 1.056 390 Y CB 0.261 38.757 38.460 0.059 0.000 1.330 390 Y HN 0.673 nan 8.280 nan 0.000 0.457 391 T N -0.653 114.068 114.554 0.278 0.000 2.912 391 T HA 0.456 4.790 4.350 -0.027 0.000 0.280 391 T C 0.673 175.524 174.700 0.252 0.000 0.989 391 T CA -0.914 61.310 62.100 0.207 0.000 0.995 391 T CB 1.148 70.128 68.868 0.187 0.000 1.077 391 T HN 0.832 nan 8.240 nan 0.000 0.531 392 L N -0.175 121.071 121.223 0.037 0.000 2.465 392 L HA 0.040 4.364 4.340 -0.027 0.000 0.224 392 L C 1.984 178.764 176.870 -0.151 0.000 1.145 392 L CA 0.696 55.479 54.840 -0.096 0.000 0.834 392 L CB -0.641 41.231 42.059 -0.311 0.000 0.944 392 L HN 0.684 nan 8.230 nan 0.000 0.451 393 Y N 0.156 120.453 120.300 -0.004 0.000 2.153 393 Y HA -0.217 4.316 4.550 -0.028 0.000 0.289 393 Y C 2.476 178.379 175.900 0.005 0.000 1.127 393 Y CA 1.012 59.108 58.100 -0.006 0.000 1.131 393 Y CB -0.501 37.963 38.460 0.007 0.000 0.995 393 Y HN 0.184 nan 8.280 nan 0.000 0.505 394 D N 0.020 120.543 120.400 0.205 0.000 2.149 394 D HA -0.196 4.428 4.640 -0.027 0.000 0.194 394 D C 2.181 178.496 176.300 0.025 0.000 1.001 394 D CA 1.361 55.437 54.000 0.126 0.000 0.849 394 D CB -0.522 40.381 40.800 0.172 0.000 0.939 394 D HN 0.227 nan 8.370 nan 0.000 0.449 395 L N 0.726 121.921 121.223 -0.047 0.000 2.093 395 L HA -0.102 4.222 4.340 -0.027 0.000 0.208 395 L C 2.352 179.146 176.870 -0.127 0.000 1.085 395 L CA 1.445 56.167 54.840 -0.197 0.000 0.755 395 L CB -0.818 41.050 42.059 -0.319 0.000 0.904 395 L HN -0.117 nan 8.230 nan 0.000 0.435 396 S N -1.080 114.585 115.700 -0.058 0.000 2.382 396 S HA -0.242 4.211 4.470 -0.027 0.000 0.228 396 S C 2.050 176.662 174.600 0.021 0.000 1.027 396 S CA 1.605 59.795 58.200 -0.016 0.000 0.991 396 S CB -0.273 62.938 63.200 0.017 0.000 0.823 396 S HN 0.627 nan 8.310 nan 0.000 0.469 397 E N -0.275 119.942 120.200 0.029 0.000 2.072 397 E HA -0.107 4.227 4.350 -0.027 0.000 0.190 397 E C 2.270 178.868 176.600 -0.003 0.000 0.982 397 E CA 0.564 56.980 56.400 0.026 0.000 0.803 397 E CB 0.002 29.723 29.700 0.034 0.000 0.755 397 E HN 0.209 nan 8.360 nan 0.000 0.453 398 R N 0.612 121.094 120.500 -0.029 0.000 2.083 398 R HA -0.112 4.211 4.340 -0.027 0.000 0.237 398 R C 2.434 178.716 176.300 -0.029 0.000 1.137 398 R CA 0.885 56.947 56.100 -0.064 0.000 0.951 398 R CB -1.171 29.077 30.300 -0.088 0.000 0.851 398 R HN 0.287 nan 8.270 nan 0.000 0.434 399 L N 0.027 121.247 121.223 -0.006 0.000 2.042 399 L HA -0.143 4.181 4.340 -0.027 0.000 0.210 399 L C 2.639 179.602 176.870 0.155 0.000 1.076 399 L CA 1.407 56.305 54.840 0.097 0.000 0.749 399 L CB -0.386 41.718 42.059 0.075 0.000 0.893 399 L HN 0.169 nan 8.230 nan 0.000 0.432 400 R N 0.108 120.662 120.500 0.091 0.000 2.159 400 R HA -0.142 4.182 4.340 -0.027 0.000 0.237 400 R C 2.164 178.482 176.300 0.030 0.000 1.131 400 R CA 1.006 57.149 56.100 0.072 0.000 0.982 400 R CB -0.144 30.186 30.300 0.049 0.000 0.868 400 R HN 0.387 nan 8.270 nan 0.000 0.453 401 L N -0.353 120.876 121.223 0.009 0.000 2.395 401 L HA -0.063 4.261 4.340 -0.027 0.000 0.218 401 L C 1.150 178.009 176.870 -0.019 0.000 1.130 401 L CA 0.953 55.777 54.840 -0.027 0.000 0.826 401 L CB 0.032 42.046 42.059 -0.075 0.000 0.941 401 L HN 0.071 nan 8.230 nan 0.000 0.451 402 R N -0.545 119.974 120.500 0.032 0.000 2.609 402 R HA 0.251 4.575 4.340 -0.027 0.000 0.326 402 R C 1.090 177.329 176.300 -0.102 0.000 1.090 402 R CA 0.483 56.600 56.100 0.029 0.000 1.072 402 R CB 0.589 30.979 30.300 0.151 0.000 1.330 402 R HN 0.242 nan 8.270 nan 0.000 0.572 403 G N 0.092 108.828 108.800 -0.107 0.000 2.205 403 G HA2 -0.275 3.668 3.960 -0.027 0.000 0.261 403 G HA3 -0.275 3.668 3.960 -0.027 0.000 0.261 403 G C -0.309 174.457 174.900 -0.222 0.000 0.980 403 G CA -0.134 44.837 45.100 -0.214 0.000 0.632 403 G HN 0.343 nan 8.290 nan 0.000 0.533 404 W N 0.405 121.713 121.300 0.012 0.000 2.365 404 W HA 0.672 5.316 4.660 -0.026 0.000 0.316 404 W C 0.473 176.988 176.519 -0.007 0.000 1.164 404 W CA -0.860 56.488 57.345 0.005 0.000 1.204 404 W CB 1.154 30.630 29.460 0.025 0.000 1.213 404 W HN 0.086 nan 8.180 nan 0.000 0.539 405 Q N 2.859 122.802 119.800 0.238 0.000 2.465 405 Q HA 0.383 4.706 4.340 -0.027 0.000 0.237 405 Q C -1.411 174.660 176.000 0.119 0.000 1.051 405 Q CA -0.279 55.609 55.803 0.141 0.000 0.874 405 Q CB 0.678 29.471 28.738 0.092 0.000 1.207 405 Q HN 0.372 nan 8.270 nan 0.000 0.508 406 V N 7.716 127.691 119.914 0.101 0.000 2.284 406 V HA 0.419 4.523 4.120 -0.027 0.000 0.274 406 V C -2.123 173.987 176.094 0.026 0.000 1.023 406 V CA -1.681 60.646 62.300 0.044 0.000 0.808 406 V CB 1.081 32.918 31.823 0.024 0.000 1.035 406 V HN 0.714 nan 8.190 nan 0.000 0.445 407 P HA 0.325 nan 4.420 nan 0.000 0.268 407 P C -0.589 176.706 177.300 -0.009 0.000 1.205 407 P CA 0.118 63.287 63.100 0.115 0.000 0.771 407 P CB 1.439 33.283 31.700 0.239 0.000 0.858 408 A N 3.502 126.304 122.820 -0.030 0.000 2.355 408 A HA 0.830 5.133 4.320 -0.027 0.000 0.317 408 A C -0.713 176.801 177.584 -0.117 0.000 1.094 408 A CA -0.508 51.335 52.037 -0.323 0.000 0.764 408 A CB 0.658 19.375 19.000 -0.471 0.000 1.230 408 A HN 0.539 nan 8.150 nan 0.000 0.448 409 F N -0.456 119.399 119.950 -0.159 0.000 2.869 409 F HA 0.866 5.376 4.527 -0.027 0.000 0.325 409 F C 0.025 175.769 175.800 -0.095 0.000 1.184 409 F CA -0.581 57.398 58.000 -0.036 0.000 0.951 409 F CB 1.009 39.989 39.000 -0.035 0.000 1.421 409 F HN 0.530 nan 8.300 nan 0.000 0.501 410 T N -0.221 114.499 114.554 0.278 0.000 2.918 410 T HA 0.741 5.074 4.350 -0.027 0.000 0.286 410 T C -0.454 174.341 174.700 0.158 0.000 1.026 410 T CA -0.831 61.341 62.100 0.119 0.000 1.031 410 T CB 1.606 70.536 68.868 0.103 0.000 1.046 410 T HN 0.738 nan 8.240 nan 0.000 0.479 411 L N 1.000 122.256 121.223 0.055 0.000 2.454 411 L HA 0.581 4.904 4.340 -0.027 0.000 0.256 411 L C 1.640 178.477 176.870 -0.056 0.000 1.136 411 L CA -0.906 53.940 54.840 0.010 0.000 0.804 411 L CB 0.262 42.333 42.059 0.019 0.000 1.181 411 L HN 0.994 nan 8.230 nan 0.000 0.469 412 G N -0.582 108.155 108.800 -0.105 0.000 2.679 412 G HA2 0.330 4.273 3.960 -0.027 0.000 0.202 412 G HA3 0.330 4.273 3.960 -0.027 0.000 0.202 412 G C 0.869 175.760 174.900 -0.015 0.000 1.566 412 G CA 0.153 45.208 45.100 -0.075 0.000 1.074 412 G HN 0.898 nan 8.290 nan 0.000 0.564 413 G N 0.117 108.925 108.800 0.014 0.000 3.562 413 G HA2 -0.379 3.565 3.960 -0.027 0.000 0.296 413 G HA3 -0.379 3.565 3.960 -0.027 0.000 0.296 413 G C 1.152 176.057 174.900 0.008 0.000 0.884 413 G CA 1.521 46.633 45.100 0.020 0.000 0.739 413 G HN 0.658 nan 8.290 nan 0.000 1.278 414 E N 0.886 121.086 120.200 0.001 0.000 2.474 414 E HA 0.441 4.775 4.350 -0.027 0.000 0.195 414 E C 2.109 178.702 176.600 -0.013 0.000 1.039 414 E CA 0.345 56.742 56.400 -0.005 0.000 0.881 414 E CB 0.324 30.020 29.700 -0.006 0.000 0.970 414 E HN 0.482 nan 8.360 nan 0.000 0.486 415 A N 1.079 123.888 122.820 -0.018 0.000 2.302 415 A HA -0.002 4.302 4.320 -0.027 0.000 0.219 415 A C 1.935 179.509 177.584 -0.016 0.000 1.243 415 A CA 0.404 52.426 52.037 -0.025 0.000 0.856 415 A CB -0.492 18.486 19.000 -0.037 0.000 0.893 415 A HN 0.159 nan 8.150 nan 0.000 0.491 416 T N -0.824 113.725 114.554 -0.008 0.000 2.977 416 T HA -0.162 4.171 4.350 -0.027 0.000 0.271 416 T C 1.513 176.217 174.700 0.007 0.000 1.105 416 T CA 1.889 63.989 62.100 0.000 0.000 1.116 416 T CB -0.416 68.455 68.868 0.004 0.000 0.878 416 T HN 0.468 nan 8.240 nan 0.000 0.509 417 D N 0.330 120.730 120.400 -0.000 0.000 2.149 417 D HA 0.060 4.684 4.640 -0.027 0.000 0.201 417 D C 0.514 176.810 176.300 -0.006 0.000 0.972 417 D CA 0.394 54.395 54.000 0.002 0.000 0.835 417 D CB -0.248 40.549 40.800 -0.005 0.000 0.966 417 D HN 0.509 nan 8.370 nan 0.000 0.476 418 I N 1.284 121.840 120.570 -0.024 0.000 2.452 418 I HA 0.045 4.199 4.170 -0.027 0.000 0.287 418 I C -0.105 175.958 176.117 -0.090 0.000 1.079 418 I CA -0.523 60.744 61.300 -0.055 0.000 1.387 418 I CB 1.563 39.527 38.000 -0.060 0.000 1.404 418 I HN -0.293 nan 8.210 nan 0.000 0.522 419 V N 7.619 127.449 119.914 -0.141 0.000 2.465 419 V HA 0.382 4.486 4.120 -0.027 0.000 0.279 419 V C 0.229 176.091 176.094 -0.387 0.000 1.045 419 V CA -0.485 61.646 62.300 -0.282 0.000 0.938 419 V CB 1.412 33.012 31.823 -0.372 0.000 0.986 419 V HN 0.574 nan 8.190 nan 0.000 0.467 420 V N 2.793 122.363 119.914 -0.574 0.000 3.001 420 V HA 0.753 4.857 4.120 -0.027 0.000 0.314 420 V C -0.566 174.977 176.094 -0.918 0.000 1.099 420 V CA -1.030 60.857 62.300 -0.688 0.000 0.989 420 V CB 2.097 33.573 31.823 -0.578 0.000 1.040 420 V HN 0.862 nan 8.190 nan 0.000 0.434 421 M N 3.350 122.397 119.600 -0.921 0.000 2.294 421 M HA 0.668 5.132 4.480 -0.027 0.000 0.335 421 M C -0.650 175.254 176.300 -0.660 0.000 1.079 421 M CA -0.644 54.162 55.300 -0.824 0.000 0.982 421 M CB 1.470 33.487 32.600 -0.972 0.000 1.651 421 M HN 0.970 nan 8.290 nan 0.000 0.437 422 R N 5.969 126.261 120.500 -0.347 0.000 2.451 422 R HA 0.549 4.872 4.340 -0.027 0.000 0.307 422 R C -2.016 174.257 176.300 -0.044 0.000 0.965 422 R CA -0.457 55.576 56.100 -0.111 0.000 0.865 422 R CB 0.964 31.312 30.300 0.081 0.000 1.174 422 R HN 0.842 nan 8.270 nan 0.000 0.455 423 I N 5.159 125.722 120.570 -0.011 0.000 2.304 423 I HA 0.233 4.387 4.170 -0.027 0.000 0.291 423 I C 0.156 176.242 176.117 -0.052 0.000 1.018 423 I CA -0.559 60.731 61.300 -0.017 0.000 1.260 423 I CB 1.484 39.510 38.000 0.042 0.000 1.390 423 I HN 0.453 nan 8.210 nan 0.000 0.475 424 M N 5.593 125.111 119.600 -0.138 0.000 2.146 424 M HA 0.228 4.691 4.480 -0.027 0.000 0.357 424 M C -0.851 175.382 176.300 -0.112 0.000 1.261 424 M CA -0.262 54.911 55.300 -0.212 0.000 1.106 424 M CB 0.965 33.311 32.600 -0.423 0.000 1.612 424 M HN 0.562 nan 8.290 nan 0.000 0.470 425 C N 6.052 125.355 119.300 0.006 0.000 2.264 425 C HA 0.581 5.025 4.460 -0.027 0.000 0.322 425 C C 0.444 175.530 174.990 0.160 0.000 1.210 425 C CA -0.807 58.303 59.018 0.153 0.000 1.539 425 C CB -0.334 27.511 27.740 0.174 0.000 2.167 425 C HN 0.832 nan 8.230 nan 0.000 0.463 426 R N 1.709 122.266 120.500 0.096 0.000 2.919 426 R HA 0.660 4.984 4.340 -0.027 0.000 0.260 426 R C -0.248 176.080 176.300 0.045 0.000 1.067 426 R CA -1.000 55.117 56.100 0.029 0.000 1.003 426 R CB 1.078 31.271 30.300 -0.178 0.000 1.192 426 R HN 0.581 nan 8.270 nan 0.000 0.488 427 R N 0.082 120.579 120.500 -0.005 0.000 2.488 427 R HA 0.051 4.375 4.340 -0.027 0.000 0.317 427 R C 0.316 176.550 176.300 -0.111 0.000 0.941 427 R CA 1.929 57.979 56.100 -0.083 0.000 1.076 427 R CB -0.399 29.837 30.300 -0.107 0.000 0.917 427 R HN 0.982 nan 8.270 nan 0.000 0.407 428 G N 3.837 112.510 108.800 -0.212 0.000 2.545 428 G HA2 -0.248 3.696 3.960 -0.027 0.000 0.195 428 G HA3 -0.248 3.696 3.960 -0.027 0.000 0.195 428 G C -0.308 174.517 174.900 -0.124 0.000 1.009 428 G CA -0.192 44.779 45.100 -0.215 0.000 0.703 428 G HN 0.552 nan 8.290 nan 0.000 0.479 429 F N 4.600 124.437 119.950 -0.189 0.000 2.605 429 F HA 0.562 5.071 4.527 -0.029 0.000 0.352 429 F C 0.412 176.219 175.800 0.012 0.000 1.236 429 F CA -1.352 56.570 58.000 -0.130 0.000 1.267 429 F CB -0.088 38.886 39.000 -0.044 0.000 1.632 429 F HN 0.037 nan 8.300 nan 0.000 0.639 430 E N 3.177 123.346 120.200 -0.051 0.000 2.312 430 E HA 0.049 4.382 4.350 -0.027 0.000 0.259 430 E C 1.314 177.833 176.600 -0.135 0.000 1.122 430 E CA -0.485 55.895 56.400 -0.034 0.000 0.922 430 E CB 0.779 30.539 29.700 0.099 0.000 1.109 430 E HN 0.528 nan 8.360 nan 0.000 0.442 431 M N 1.390 120.891 119.600 -0.164 0.000 2.128 431 M HA -0.244 4.220 4.480 -0.027 0.000 0.253 431 M C 0.901 177.092 176.300 -0.181 0.000 1.079 431 M CA 1.830 56.998 55.300 -0.219 0.000 1.082 431 M CB -0.457 32.002 32.600 -0.234 0.000 1.335 431 M HN 0.382 nan 8.290 nan 0.000 0.401 432 D N -1.179 119.138 120.400 -0.137 0.000 2.221 432 D HA -0.139 4.484 4.640 -0.027 0.000 0.204 432 D C 1.777 177.958 176.300 -0.199 0.000 0.982 432 D CA 1.355 55.228 54.000 -0.211 0.000 0.857 432 D CB -0.265 40.336 40.800 -0.331 0.000 0.934 432 D HN 0.440 nan 8.370 nan 0.000 0.475 433 F N 0.760 120.670 119.950 -0.068 0.000 2.262 433 F HA 0.170 4.680 4.527 -0.028 0.000 0.292 433 F C 2.475 178.314 175.800 0.064 0.000 1.081 433 F CA 0.467 58.547 58.000 0.134 0.000 1.355 433 F CB -0.570 38.590 39.000 0.268 0.000 1.069 433 F HN -0.134 nan 8.300 nan 0.000 0.506 434 A N 0.079 122.779 122.820 -0.199 0.000 1.958 434 A HA -0.223 4.081 4.320 -0.027 0.000 0.221 434 A C 2.200 179.814 177.584 0.050 0.000 1.178 434 A CA 1.899 53.850 52.037 -0.143 0.000 0.642 434 A CB -0.582 18.269 19.000 -0.248 0.000 0.816 434 A HN 0.292 nan 8.150 nan 0.000 0.453 435 E N -0.654 119.572 120.200 0.043 0.000 2.047 435 E HA -0.150 4.184 4.350 -0.027 0.000 0.191 435 E C 1.995 178.657 176.600 0.103 0.000 0.987 435 E CA 0.853 57.298 56.400 0.075 0.000 0.799 435 E CB -0.502 29.203 29.700 0.008 0.000 0.752 435 E HN 0.447 nan 8.360 nan 0.000 0.449 436 L N 1.685 122.999 121.223 0.153 0.000 2.043 436 L HA -0.192 4.132 4.340 -0.027 0.000 0.212 436 L C 2.282 179.320 176.870 0.280 0.000 1.075 436 L CA 1.431 56.437 54.840 0.276 0.000 0.752 436 L CB -1.145 41.187 42.059 0.455 0.000 0.891 436 L HN 0.189 nan 8.230 nan 0.000 0.432 437 L N -1.234 120.041 121.223 0.087 0.000 2.017 437 L HA -0.233 4.090 4.340 -0.027 0.000 0.208 437 L C 2.568 179.375 176.870 -0.105 0.000 1.073 437 L CA 1.645 56.267 54.840 -0.363 0.000 0.745 437 L CB -0.452 41.251 42.059 -0.594 0.000 0.894 437 L HN 0.297 nan 8.230 nan 0.000 0.432 438 L N -0.149 121.062 121.223 -0.020 0.000 2.043 438 L HA -0.302 4.022 4.340 -0.027 0.000 0.212 438 L C 2.522 179.445 176.870 0.087 0.000 1.075 438 L CA 1.649 56.492 54.840 0.004 0.000 0.752 438 L CB -0.431 41.626 42.059 -0.003 0.000 0.891 438 L HN 0.393 nan 8.230 nan 0.000 0.432 439 E N -0.278 119.984 120.200 0.102 0.000 2.077 439 E HA -0.223 4.111 4.350 -0.027 0.000 0.193 439 E C 1.655 178.341 176.600 0.143 0.000 0.989 439 E CA 1.217 57.689 56.400 0.120 0.000 0.800 439 E CB 0.132 29.904 29.700 0.120 0.000 0.746 439 E HN 0.437 nan 8.360 nan 0.000 0.452 440 D N -0.739 119.762 120.400 0.168 0.000 2.277 440 D HA -0.120 4.503 4.640 -0.027 0.000 0.208 440 D C 1.434 177.808 176.300 0.124 0.000 0.962 440 D CA 0.540 54.649 54.000 0.181 0.000 0.865 440 D CB -0.075 40.924 40.800 0.332 0.000 0.939 440 D HN 0.212 nan 8.370 nan 0.000 0.510 441 Y N 2.022 122.311 120.300 -0.019 0.000 2.109 441 Y HA -0.183 4.350 4.550 -0.028 0.000 0.285 441 Y C 2.163 178.063 175.900 0.000 0.000 1.131 441 Y CA 1.674 59.754 58.100 -0.033 0.000 1.121 441 Y CB 0.058 38.485 38.460 -0.055 0.000 0.987 441 Y HN -0.210 nan 8.280 nan 0.000 0.495 442 K N -0.078 120.487 120.400 0.275 0.000 2.074 442 K HA -0.225 4.078 4.320 -0.027 0.000 0.209 442 K C 2.277 178.939 176.600 0.104 0.000 1.048 442 K CA 1.454 57.848 56.287 0.179 0.000 0.926 442 K CB -0.489 32.096 32.500 0.141 0.000 0.713 442 K HN 0.405 nan 8.250 nan 0.000 0.444 443 A N 0.850 123.729 122.820 0.097 0.000 1.933 443 A HA -0.155 4.149 4.320 -0.027 0.000 0.218 443 A C 2.190 179.821 177.584 0.079 0.000 1.175 443 A CA 1.842 53.933 52.037 0.091 0.000 0.628 443 A CB -0.466 18.588 19.000 0.090 0.000 0.814 443 A HN 0.188 nan 8.150 nan 0.000 0.444 444 S N -0.128 115.582 115.700 0.016 0.000 2.355 444 S HA -0.051 4.402 4.470 -0.027 0.000 0.222 444 S C 1.817 176.390 174.600 -0.046 0.000 1.031 444 S CA 1.264 59.441 58.200 -0.039 0.000 0.993 444 S CB -0.465 62.642 63.200 -0.156 0.000 0.859 444 S HN 0.519 nan 8.310 nan 0.000 0.453 445 L N 1.331 122.490 121.223 -0.106 0.000 2.081 445 L HA -0.201 4.123 4.340 -0.027 0.000 0.212 445 L C 2.564 179.456 176.870 0.037 0.000 1.080 445 L CA 1.393 56.177 54.840 -0.092 0.000 0.754 445 L CB -0.423 41.631 42.059 -0.009 0.000 0.893 445 L HN 0.297 nan 8.230 nan 0.000 0.433 446 K N -0.733 119.715 120.400 0.079 0.000 2.062 446 K HA -0.223 4.081 4.320 -0.027 0.000 0.205 446 K C 2.259 178.945 176.600 0.144 0.000 1.051 446 K CA 1.306 57.654 56.287 0.101 0.000 0.941 446 K CB -0.178 32.383 32.500 0.102 0.000 0.719 446 K HN 0.147 nan 8.250 nan 0.000 0.440 447 Y N 1.149 121.492 120.300 0.072 0.000 2.200 447 Y HA -0.141 4.393 4.550 -0.026 0.000 0.290 447 Y C 1.781 177.799 175.900 0.196 0.000 1.137 447 Y CA 1.302 59.502 58.100 0.168 0.000 1.163 447 Y CB 0.009 38.543 38.460 0.124 0.000 0.988 447 Y HN -0.002 nan 8.280 nan 0.000 0.518 448 L N -0.959 120.427 121.223 0.272 0.000 2.131 448 L HA -0.241 4.082 4.340 -0.027 0.000 0.210 448 L C 2.785 179.737 176.870 0.137 0.000 1.092 448 L CA 1.620 56.573 54.840 0.189 0.000 0.759 448 L CB -0.592 41.518 42.059 0.084 0.000 0.903 448 L HN 0.234 nan 8.230 nan 0.000 0.435 449 S N -0.568 115.193 115.700 0.101 0.000 2.371 449 S HA -0.173 4.281 4.470 -0.027 0.000 0.224 449 S C 1.560 176.138 174.600 -0.037 0.000 1.029 449 S CA 1.376 59.611 58.200 0.058 0.000 0.978 449 S CB -0.119 63.116 63.200 0.058 0.000 0.833 449 S HN 0.417 nan 8.310 nan 0.000 0.466 450 D N 0.052 120.374 120.400 -0.129 0.000 2.317 450 D HA 0.037 4.661 4.640 -0.027 0.000 0.211 450 D C -0.073 175.889 176.300 -0.563 0.000 0.966 450 D CA 0.772 54.558 54.000 -0.356 0.000 0.876 450 D CB -0.123 40.374 40.800 -0.504 0.000 0.927 450 D HN 0.573 nan 8.370 nan 0.000 0.519 451 H N -0.716 118.246 119.070 -0.181 0.000 2.340 451 H HA 0.214 4.753 4.556 -0.027 0.000 0.233 451 H C -1.714 173.584 175.328 -0.051 0.000 1.435 451 H CA -1.374 54.572 56.048 -0.169 0.000 1.389 451 H CB 1.259 30.820 29.762 -0.335 0.000 1.491 451 H HN -0.088 nan 8.280 nan 0.000 0.518 452 P HA -0.200 nan 4.420 nan 0.000 0.218 452 P C 1.240 178.579 177.300 0.065 0.000 1.146 452 P CA 1.276 64.406 63.100 0.050 0.000 0.813 452 P CB 0.378 32.089 31.700 0.018 0.000 0.778 453 K N -0.728 119.710 120.400 0.064 0.000 2.209 453 K HA -0.070 4.234 4.320 -0.027 0.000 0.204 453 K C 1.926 178.566 176.600 0.067 0.000 1.048 453 K CA 0.813 57.134 56.287 0.057 0.000 0.940 453 K CB -0.589 31.941 32.500 0.051 0.000 0.729 453 K HN 0.199 nan 8.250 nan 0.000 0.451 454 L N 1.147 122.424 121.223 0.091 0.000 2.265 454 L HA -0.155 4.168 4.340 -0.027 0.000 0.215 454 L C 1.395 178.325 176.870 0.100 0.000 1.117 454 L CA 0.557 55.456 54.840 0.099 0.000 0.782 454 L CB -0.231 41.908 42.059 0.135 0.000 0.914 454 L HN 0.334 nan 8.230 nan 0.000 0.441 455 Q N -0.059 119.803 119.800 0.104 0.000 2.315 455 Q HA 0.081 4.405 4.340 -0.027 0.000 0.289 455 Q C 1.109 177.158 176.000 0.082 0.000 1.044 455 Q CA 0.870 56.739 55.803 0.109 0.000 0.920 455 Q CB 0.492 29.286 28.738 0.093 0.000 1.214 455 Q HN 0.369 nan 8.270 nan 0.000 0.392 456 G N 3.641 112.496 108.800 0.092 0.000 2.184 456 G HA2 -0.292 3.652 3.960 -0.027 0.000 0.264 456 G HA3 -0.292 3.652 3.960 -0.027 0.000 0.264 456 G C 0.560 175.488 174.900 0.045 0.000 0.975 456 G CA 0.480 45.621 45.100 0.069 0.000 0.642 456 G HN 0.709 nan 8.290 nan 0.000 0.536 457 I N 1.194 121.794 120.570 0.049 0.000 2.277 457 I HA 0.217 4.371 4.170 -0.027 0.000 0.243 457 I C 2.103 178.220 176.117 -0.000 0.000 1.094 457 I CA 1.049 62.364 61.300 0.025 0.000 1.393 457 I CB -0.227 37.793 38.000 0.033 0.000 1.078 457 I HN 0.395 nan 8.210 nan 0.000 0.417 458 A N 1.537 124.366 122.820 0.015 0.000 2.409 458 A HA 0.261 4.565 4.320 -0.027 0.000 0.262 458 A C 0.456 177.936 177.584 -0.173 0.000 1.113 458 A CA -0.174 51.846 52.037 -0.029 0.000 0.790 458 A CB 0.118 19.142 19.000 0.039 0.000 1.046 458 A HN 0.512 nan 8.150 nan 0.000 0.496 459 Q N 1.238 120.841 119.800 -0.329 0.000 2.013 459 Q HA 0.208 4.532 4.340 -0.027 0.000 0.233 459 Q C -0.589 175.035 176.000 -0.626 0.000 0.834 459 Q CA -0.408 54.992 55.803 -0.672 0.000 1.040 459 Q CB 0.153 28.679 28.738 -0.353 0.000 1.248 459 Q HN 0.576 nan 8.270 nan 0.000 0.425 460 Q N 1.828 121.386 119.800 -0.402 0.000 2.314 460 Q HA 0.342 4.666 4.340 -0.027 0.000 0.259 460 Q C -1.011 174.993 176.000 0.007 0.000 0.951 460 Q CA -0.235 55.478 55.803 -0.151 0.000 0.909 460 Q CB 1.125 29.835 28.738 -0.047 0.000 1.236 460 Q HN 0.132 nan 8.270 nan 0.000 0.444 461 N N 1.213 119.968 118.700 0.092 0.000 2.483 461 N HA 0.121 4.845 4.740 -0.027 0.000 0.264 461 N C -0.858 174.784 175.510 0.219 0.000 1.197 461 N CA 0.282 53.484 53.050 0.253 0.000 0.927 461 N CB 0.679 39.291 38.487 0.208 0.000 1.065 461 N HN 0.452 nan 8.380 nan 0.000 0.461 462 S N 1.524 117.386 115.700 0.270 0.000 2.610 462 S HA 0.263 4.716 4.470 -0.027 0.000 0.273 462 S C 0.104 174.846 174.600 0.236 0.000 1.274 462 S CA -0.699 57.644 58.200 0.238 0.000 1.023 462 S CB 0.481 63.823 63.200 0.235 0.000 0.962 462 S HN 0.430 nan 8.310 nan 0.000 0.523 463 F N 3.543 123.537 119.950 0.074 0.000 2.580 463 F HA -0.009 4.501 4.527 -0.028 0.000 0.398 463 F C 1.481 177.283 175.800 0.003 0.000 1.023 463 F CA -0.073 57.959 58.000 0.054 0.000 1.188 463 F CB 0.281 39.321 39.000 0.067 0.000 1.005 463 F HN 0.709 nan 8.300 nan 0.000 0.546 464 K N 4.686 124.777 120.400 -0.515 0.000 2.436 464 K HA 0.050 4.354 4.320 -0.027 0.000 0.198 464 K C 0.999 177.206 176.600 -0.655 0.000 1.174 464 K CA 0.256 56.124 56.287 -0.698 0.000 0.951 464 K CB -0.186 31.615 32.500 -1.166 0.000 1.040 464 K HN 0.652 nan 8.250 nan 0.000 0.536 465 H N 1.094 119.754 119.070 -0.683 0.000 2.563 465 H HA 0.111 4.651 4.556 -0.028 0.000 0.272 465 H C 0.003 175.075 175.328 -0.426 0.000 1.005 465 H CA 0.987 56.795 56.048 -0.401 0.000 1.171 465 H CB 0.471 30.111 29.762 -0.202 0.000 1.351 465 H HN 0.285 nan 8.280 nan 0.000 0.602 466 T N 0.000 114.342 114.554 -0.353 0.000 3.816 466 T HA 0.000 4.334 4.350 -0.027 0.000 0.228 466 T CA 0.000 62.053 62.100 -0.079 0.000 1.349 466 T CB 0.000 68.790 68.868 -0.130 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658