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 2vvn_1_B DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDLPA VYQLNGGEEA NPHAVKVLKE LLSGKQSSKK DATA SEQUENCE GMLISIGEKG DKSVRKYSRQ IPDHKEGYYL SVNEKEIVLA GNDERGTYYA DATA SEQUENCE LQTFAQLLKD GKLPEVEIKD YPSVRYRGVV EGFYGTPWSH QARLSQLKFY DATA SEQUENCE GKNKMNTYIY GPKDDPYHSA PNWRLPYPDK EAAQLQELVA VANENEVDFV DATA SEQUENCE WAIHPGQDIK WNKEDRDLLL AKFEKMYQLG VRSFAVFFDD ISGEGTNPQK DATA SEQUENCE QAELLNYIDE KFAQVKPDIN QLVMCPTEYN KSWSNPNGNY LTTLGDKLNP DATA SEQUENCE SIQIMWTGDR VISDITRDGI SWINERIKRP AYIWWNFPVS DYVRDHLLLG DATA SEQUENCE PVYGNDTTIA KEMSGFVTNP MEHAESSKIA IYSVASYAWN PAKYDTWQTW DATA SEQUENCE KDAIRTILPS AAEELECFAM HNSDLGPNGH GYRREESMDI QPAAERFLKA DATA SEQUENCE FKEGKNYDKA DFETLQYTFE RMKESADILL MNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEMGEEVL KMVEGRNESY FLRKYNHVKA LQQQMFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATTDYMPH KMXXXXXXXX DATA SEQUENCE NLPLQVKANR VLISPXXXXX XXXXXXXVEI ELDAIYPGEN IQINFXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXRLSAG LQKAPVKFVR FXXXXXXXXX DATA SEQUENCE XXXXXFVLTI EK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.592 174.600 -0.014 0.000 1.055 4 S CA 0.000 58.205 58.200 0.008 0.000 1.107 4 S CB 0.000 63.222 63.200 0.036 0.000 0.593 5 L N 1.951 123.158 121.223 -0.026 0.000 2.329 5 L HA 0.636 4.977 4.340 0.001 0.000 0.279 5 L C -0.728 176.094 176.870 -0.080 0.000 1.014 5 L CA -0.554 54.250 54.840 -0.060 0.000 0.814 5 L CB 1.482 43.503 42.059 -0.064 0.000 1.257 5 L HN 0.449 nan 8.230 nan 0.000 0.424 6 Q N 3.216 122.930 119.800 -0.144 0.000 2.290 6 Q HA 0.425 4.765 4.340 0.001 0.000 0.269 6 Q C -2.508 173.245 176.000 -0.411 0.000 1.016 6 Q CA -1.811 53.848 55.803 -0.241 0.000 0.754 6 Q CB 2.586 31.169 28.738 -0.260 0.000 1.247 6 Q HN 0.270 nan 8.270 nan 0.000 0.451 7 P HA 0.153 nan 4.420 nan 0.000 0.272 7 P C -2.437 174.731 177.300 -0.220 0.000 1.223 7 P CA -1.112 61.803 63.100 -0.308 0.000 0.784 7 P CB 0.053 31.523 31.700 -0.385 0.000 0.923 8 P HA 0.113 nan 4.420 nan 0.000 0.267 8 P C -2.475 174.833 177.300 0.013 0.000 1.205 8 P CA -1.316 61.768 63.100 -0.026 0.000 0.765 8 P CB -0.647 31.057 31.700 0.008 0.000 0.828 9 P HA 0.047 nan 4.420 nan 0.000 0.272 9 P C 1.157 178.442 177.300 -0.025 0.000 1.230 9 P CA -0.034 63.089 63.100 0.038 0.000 0.788 9 P CB 0.670 32.380 31.700 0.016 0.000 0.949 10 Q N 0.414 120.135 119.800 -0.133 0.000 2.077 10 Q HA -0.176 4.164 4.340 0.001 0.000 0.206 10 Q C 0.848 176.768 176.000 -0.134 0.000 0.989 10 Q CA 1.760 57.402 55.803 -0.269 0.000 0.853 10 Q CB -0.097 28.241 28.738 -0.667 0.000 0.907 10 Q HN 0.615 nan 8.270 nan 0.000 0.418 11 Q N -0.350 119.398 119.800 -0.087 0.000 2.305 11 Q HA 0.511 4.852 4.340 0.001 0.000 0.271 11 Q C -2.000 173.999 176.000 -0.001 0.000 1.046 11 Q CA -0.502 55.286 55.803 -0.025 0.000 0.798 11 Q CB 1.530 30.273 28.738 0.007 0.000 1.286 11 Q HN 0.108 nan 8.270 nan 0.000 0.435 12 L N 5.324 126.552 121.223 0.009 0.000 2.439 12 L HA 0.605 4.946 4.340 0.001 0.000 0.270 12 L C -1.938 174.946 176.870 0.023 0.000 0.972 12 L CA -0.281 54.570 54.840 0.018 0.000 0.836 12 L CB 1.832 43.896 42.059 0.009 0.000 1.255 12 L HN 0.722 nan 8.230 nan 0.000 0.404 13 I N 6.042 126.631 120.570 0.033 0.000 2.382 13 I HA 0.456 4.627 4.170 0.001 0.000 0.286 13 I C -0.819 175.313 176.117 0.026 0.000 1.002 13 I CA -0.897 60.422 61.300 0.032 0.000 1.135 13 I CB 1.857 39.884 38.000 0.044 0.000 1.288 13 I HN 0.261 nan 8.210 nan 0.000 0.448 14 V N 6.112 126.036 119.914 0.018 0.000 2.370 14 V HA 0.305 4.426 4.120 0.001 0.000 0.283 14 V C 0.036 176.138 176.094 0.013 0.000 1.023 14 V CA -0.833 61.475 62.300 0.012 0.000 0.857 14 V CB 1.395 33.221 31.823 0.005 0.000 0.985 14 V HN 0.614 nan 8.190 nan 0.000 0.443 15 Q N 2.845 122.654 119.800 0.014 0.000 2.260 15 Q HA 0.361 4.702 4.340 0.001 0.000 0.238 15 Q C -0.428 175.577 176.000 0.008 0.000 0.948 15 Q CA -0.680 55.132 55.803 0.014 0.000 0.895 15 Q CB 0.637 29.386 28.738 0.018 0.000 1.218 15 Q HN 0.559 nan 8.270 nan 0.000 0.470 16 N N 1.440 120.145 118.700 0.008 0.000 3.245 16 N HA 0.153 4.894 4.740 0.001 0.000 0.296 16 N C -0.882 174.630 175.510 0.004 0.000 1.254 16 N CA 0.140 53.192 53.050 0.004 0.000 1.190 16 N CB 0.203 38.692 38.487 0.004 0.000 1.460 16 N HN 0.263 nan 8.380 nan 0.000 0.538 17 K N -0.635 119.767 120.400 0.003 0.000 2.469 17 K HA 0.483 4.804 4.320 0.001 0.000 0.254 17 K C -0.606 175.994 176.600 -0.001 0.000 0.939 17 K CA -0.816 55.473 56.287 0.004 0.000 0.812 17 K CB 1.982 34.488 32.500 0.009 0.000 1.301 17 K HN 0.181 nan 8.250 nan 0.000 0.433 18 T N -0.536 114.016 114.554 -0.003 0.000 2.863 18 T HA 0.736 5.087 4.350 0.001 0.000 0.285 18 T C -0.232 174.466 174.700 -0.003 0.000 1.009 18 T CA -0.899 61.196 62.100 -0.008 0.000 0.989 18 T CB 0.557 69.416 68.868 -0.015 0.000 1.004 18 T HN 0.535 nan 8.240 nan 0.000 0.455 19 I N -0.979 119.589 120.570 -0.003 0.000 2.740 19 I HA 0.662 4.833 4.170 0.001 0.000 0.303 19 I C -0.862 175.254 176.117 -0.001 0.000 1.044 19 I CA -1.093 60.210 61.300 0.005 0.000 1.064 19 I CB 1.734 39.745 38.000 0.018 0.000 1.249 19 I HN 0.416 nan 8.210 nan 0.000 0.433 20 D N 4.055 124.459 120.400 0.007 0.000 2.345 20 D HA 0.193 4.834 4.640 0.001 0.000 0.247 20 D C -0.248 176.063 176.300 0.019 0.000 1.108 20 D CA -0.164 53.840 54.000 0.005 0.000 0.894 20 D CB 1.812 42.619 40.800 0.012 0.000 1.203 20 D HN 0.441 nan 8.370 nan 0.000 0.430 21 L N 4.468 125.698 121.223 0.010 0.000 2.534 21 L HA 0.123 4.464 4.340 0.001 0.000 0.271 21 L C -2.064 174.841 176.870 0.058 0.000 1.178 21 L CA -0.888 53.974 54.840 0.035 0.000 0.907 21 L CB -0.080 41.984 42.059 0.009 0.000 1.164 21 L HN 0.156 nan 8.230 nan 0.000 0.482 22 P HA 0.001 nan 4.420 nan 0.000 0.264 22 P C -0.028 177.356 177.300 0.139 0.000 1.193 22 P CA 0.176 63.341 63.100 0.110 0.000 0.763 22 P CB 0.837 32.624 31.700 0.147 0.000 0.810 23 A N 4.260 127.139 122.820 0.098 0.000 1.898 23 A HA 0.012 4.333 4.320 0.001 0.000 0.216 23 A C 0.949 178.588 177.584 0.092 0.000 1.181 23 A CA 1.282 53.372 52.037 0.088 0.000 0.620 23 A CB -0.286 18.744 19.000 0.049 0.000 0.819 23 A HN 0.452 nan 8.150 nan 0.000 0.442 24 V N 0.597 120.556 119.914 0.075 0.000 2.444 24 V HA 0.484 4.605 4.120 0.001 0.000 0.294 24 V C -0.793 175.342 176.094 0.067 0.000 1.022 24 V CA -0.717 61.592 62.300 0.015 0.000 0.850 24 V CB 0.871 32.682 31.823 -0.020 0.000 0.992 24 V HN 0.486 nan 8.190 nan 0.000 0.426 25 Y N 2.111 122.419 120.300 0.013 0.000 2.562 25 Y HA 0.794 5.345 4.550 0.001 0.000 0.343 25 Y C -0.388 175.516 175.900 0.008 0.000 1.025 25 Y CA -1.225 56.883 58.100 0.012 0.000 1.082 25 Y CB 1.715 40.183 38.460 0.013 0.000 1.264 25 Y HN 0.554 nan 8.280 nan 0.000 0.478 26 Q N 3.770 123.694 119.800 0.208 0.000 2.357 26 Q HA 0.417 4.758 4.340 0.001 0.000 0.266 26 Q C -1.948 174.186 176.000 0.223 0.000 1.021 26 Q CA -0.736 55.144 55.803 0.128 0.000 0.784 26 Q CB 1.489 30.265 28.738 0.064 0.000 1.243 26 Q HN 0.996 nan 8.270 nan 0.000 0.465 27 L N 4.750 126.123 121.223 0.251 0.000 2.265 27 L HA 0.413 4.754 4.340 0.001 0.000 0.288 27 L C -0.813 176.114 176.870 0.094 0.000 1.058 27 L CA -0.213 54.738 54.840 0.185 0.000 0.809 27 L CB 0.876 43.070 42.059 0.225 0.000 1.179 27 L HN 0.697 nan 8.230 nan 0.000 0.429 28 N N 3.344 122.082 118.700 0.062 0.000 2.479 28 N HA 0.359 5.100 4.740 0.001 0.000 0.261 28 N C 0.368 175.899 175.510 0.036 0.000 0.979 28 N CA 0.676 53.757 53.050 0.051 0.000 0.930 28 N CB 1.712 40.235 38.487 0.061 0.000 1.172 28 N HN 0.884 nan 8.380 nan 0.000 0.499 29 G N 2.059 110.877 108.800 0.031 0.000 2.168 29 G HA2 -0.220 3.740 3.960 0.001 0.000 0.197 29 G HA3 -0.220 3.740 3.960 0.001 0.000 0.197 29 G C 0.995 175.902 174.900 0.011 0.000 0.997 29 G CA 0.193 45.306 45.100 0.022 0.000 0.658 29 G HN 0.690 nan 8.290 nan 0.000 0.513 30 G N 0.215 109.023 108.800 0.014 0.000 2.475 30 G HA2 -0.090 3.871 3.960 0.001 0.000 0.220 30 G HA3 -0.090 3.871 3.960 0.001 0.000 0.220 30 G C 1.284 176.187 174.900 0.006 0.000 1.125 30 G CA 1.550 46.656 45.100 0.010 0.000 0.755 30 G HN 0.495 nan 8.290 nan 0.000 0.565 31 E N -0.067 120.138 120.200 0.008 0.000 2.385 31 E HA 0.040 4.390 4.350 0.001 0.000 0.194 31 E C 2.023 178.621 176.600 -0.004 0.000 1.013 31 E CA 0.305 56.707 56.400 0.002 0.000 0.866 31 E CB 0.287 29.991 29.700 0.005 0.000 0.832 31 E HN 0.593 nan 8.360 nan 0.000 0.500 32 E N 0.057 120.256 120.200 -0.002 0.000 2.372 32 E HA 0.170 4.521 4.350 0.001 0.000 0.201 32 E C 0.517 177.111 176.600 -0.009 0.000 0.938 32 E CA -0.117 56.281 56.400 -0.004 0.000 0.944 32 E CB 0.729 30.432 29.700 0.006 0.000 0.937 32 E HN 0.001 nan 8.360 nan 0.000 0.495 33 A N 1.792 124.607 122.820 -0.009 0.000 2.346 33 A HA 0.090 4.411 4.320 0.001 0.000 0.252 33 A C 0.327 177.890 177.584 -0.035 0.000 1.089 33 A CA -0.438 51.591 52.037 -0.014 0.000 0.797 33 A CB 0.153 19.146 19.000 -0.012 0.000 1.047 33 A HN 0.108 nan 8.150 nan 0.000 0.494 34 N N 0.962 119.639 118.700 -0.039 0.000 2.236 34 N HA -0.025 4.716 4.740 0.001 0.000 0.274 34 N C -1.790 173.667 175.510 -0.087 0.000 1.339 34 N CA -1.015 51.985 53.050 -0.083 0.000 0.845 34 N CB 0.499 38.962 38.487 -0.039 0.000 1.091 34 N HN 0.184 nan 8.380 nan 0.000 0.489 35 P HA -0.120 nan 4.420 nan 0.000 0.218 35 P C 0.466 177.765 177.300 -0.002 0.000 1.148 35 P CA 1.468 64.508 63.100 -0.101 0.000 0.822 35 P CB 0.027 31.638 31.700 -0.148 0.000 0.784 36 H N -0.957 118.125 119.070 0.021 0.000 2.387 36 H HA -0.004 4.553 4.556 0.001 0.000 0.299 36 H C 1.981 177.439 175.328 0.216 0.000 1.090 36 H CA 0.828 56.914 56.048 0.063 0.000 1.332 36 H CB -0.262 29.441 29.762 -0.099 0.000 1.386 36 H HN 0.111 nan 8.280 nan 0.000 0.516 37 A N 0.656 123.645 122.820 0.281 0.000 1.898 37 A HA -0.067 4.254 4.320 0.001 0.000 0.214 37 A C 2.548 180.164 177.584 0.053 0.000 1.183 37 A CA 0.952 53.095 52.037 0.176 0.000 0.622 37 A CB -0.615 18.440 19.000 0.091 0.000 0.824 37 A HN 0.191 nan 8.150 nan 0.000 0.444 38 V N 0.618 120.552 119.914 0.033 0.000 2.332 38 V HA -0.311 3.810 4.120 0.001 0.000 0.248 38 V C 2.539 178.645 176.094 0.020 0.000 1.055 38 V CA 2.493 64.794 62.300 0.003 0.000 1.038 38 V CB -0.736 31.087 31.823 -0.001 0.000 0.651 38 V HN 0.726 nan 8.190 nan 0.000 0.450 39 K N 0.104 120.539 120.400 0.058 0.000 2.009 39 K HA -0.196 4.125 4.320 0.001 0.000 0.210 39 K C 2.033 178.662 176.600 0.049 0.000 1.049 39 K CA 2.053 58.377 56.287 0.063 0.000 0.929 39 K CB -0.356 32.203 32.500 0.099 0.000 0.714 39 K HN 0.293 nan 8.250 nan 0.000 0.440 40 V N 1.491 121.440 119.914 0.060 0.000 2.287 40 V HA -0.261 3.860 4.120 0.001 0.000 0.248 40 V C 2.328 178.422 176.094 -0.001 0.000 1.053 40 V CA 1.777 64.090 62.300 0.022 0.000 1.027 40 V CB -0.581 31.230 31.823 -0.020 0.000 0.646 40 V HN 0.404 nan 8.190 nan 0.000 0.447 41 L N 0.295 121.501 121.223 -0.028 0.000 2.012 41 L HA -0.182 4.159 4.340 0.001 0.000 0.210 41 L C 2.384 179.220 176.870 -0.058 0.000 1.073 41 L CA 2.011 56.810 54.840 -0.068 0.000 0.748 41 L CB -0.790 41.184 42.059 -0.143 0.000 0.891 41 L HN 0.218 nan 8.230 nan 0.000 0.431 42 K N -0.574 119.805 120.400 -0.036 0.000 2.147 42 K HA -0.167 4.154 4.320 0.001 0.000 0.205 42 K C 1.946 178.551 176.600 0.008 0.000 1.049 42 K CA 1.609 57.888 56.287 -0.013 0.000 0.936 42 K CB -0.108 32.403 32.500 0.018 0.000 0.722 42 K HN 0.508 nan 8.250 nan 0.000 0.446 43 E N 0.931 121.138 120.200 0.011 0.000 2.047 43 E HA -0.134 4.217 4.350 0.001 0.000 0.191 43 E C 1.981 178.587 176.600 0.010 0.000 0.987 43 E CA 0.856 57.265 56.400 0.014 0.000 0.799 43 E CB -0.071 29.638 29.700 0.014 0.000 0.752 43 E HN 0.196 nan 8.360 nan 0.000 0.449 44 L N 0.319 121.548 121.223 0.011 0.000 2.127 44 L HA -0.190 4.151 4.340 0.001 0.000 0.211 44 L C 1.802 178.678 176.870 0.010 0.000 1.089 44 L CA 0.494 55.343 54.840 0.017 0.000 0.757 44 L CB -0.143 41.959 42.059 0.072 0.000 0.899 44 L HN 0.166 nan 8.230 nan 0.000 0.434 45 L N -0.623 120.594 121.223 -0.011 0.000 2.607 45 L HA 0.090 4.431 4.340 0.001 0.000 0.228 45 L C 1.252 178.161 176.870 0.064 0.000 1.123 45 L CA 0.288 55.113 54.840 -0.024 0.000 0.890 45 L CB -0.442 41.487 42.059 -0.217 0.000 1.103 45 L HN 0.140 nan 8.230 nan 0.000 0.468 46 S N -0.839 114.890 115.700 0.049 0.000 2.488 46 S HA 0.495 4.966 4.470 0.001 0.000 0.278 46 S C 1.272 175.907 174.600 0.057 0.000 1.259 46 S CA 0.132 58.368 58.200 0.060 0.000 1.061 46 S CB 0.906 64.129 63.200 0.039 0.000 0.910 46 S HN 0.527 nan 8.310 nan 0.000 0.491 47 G N 2.485 111.326 108.800 0.068 0.000 2.284 47 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 47 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 47 G C 0.129 175.075 174.900 0.077 0.000 1.009 47 G CA -0.247 44.886 45.100 0.056 0.000 0.625 47 G HN 0.695 nan 8.290 nan 0.000 0.501 48 K N 0.589 121.067 120.400 0.130 0.000 2.120 48 K HA 0.519 4.840 4.320 0.001 0.000 0.245 48 K C 0.211 176.900 176.600 0.149 0.000 1.024 48 K CA -0.184 56.216 56.287 0.189 0.000 0.906 48 K CB 0.411 33.102 32.500 0.318 0.000 1.051 48 K HN 0.269 nan 8.250 nan 0.000 0.491 49 Q N 0.749 120.573 119.800 0.040 0.000 2.325 49 Q HA 0.160 4.501 4.340 0.001 0.000 0.262 49 Q C -0.819 174.870 176.000 -0.518 0.000 0.968 49 Q CA -0.194 55.523 55.803 -0.143 0.000 0.877 49 Q CB 1.823 30.507 28.738 -0.089 0.000 1.253 49 Q HN 0.473 nan 8.270 nan 0.000 0.448 50 S N 2.083 117.451 115.700 -0.554 0.000 2.430 50 S HA 0.522 4.993 4.470 0.001 0.000 0.289 50 S C -0.516 173.851 174.600 -0.388 0.000 1.143 50 S CA -0.014 57.705 58.200 -0.801 0.000 1.067 50 S CB 0.523 63.457 63.200 -0.443 0.000 0.964 50 S HN 0.594 nan 8.310 nan 0.000 0.485 51 S N 3.434 118.926 115.700 -0.346 0.000 2.671 51 S HA 0.536 5.007 4.470 0.001 0.000 0.277 51 S C 0.106 174.646 174.600 -0.100 0.000 1.165 51 S CA -0.696 57.402 58.200 -0.170 0.000 0.822 51 S CB 0.919 64.033 63.200 -0.143 0.000 1.150 51 S HN 0.586 nan 8.310 nan 0.000 0.479 52 K N 1.002 121.367 120.400 -0.058 0.000 2.243 52 K HA 0.266 4.586 4.320 0.001 0.000 0.201 52 K C 0.448 177.037 176.600 -0.018 0.000 1.051 52 K CA 0.708 56.979 56.287 -0.028 0.000 0.970 52 K CB -0.412 32.076 32.500 -0.019 0.000 0.755 52 K HN 0.427 nan 8.250 nan 0.000 0.465 53 K N 0.114 120.499 120.400 -0.026 0.000 2.132 53 K HA 0.320 4.640 4.320 0.001 0.000 0.240 53 K C 0.476 177.070 176.600 -0.010 0.000 1.036 53 K CA 0.474 56.752 56.287 -0.015 0.000 0.888 53 K CB 0.245 32.734 32.500 -0.019 0.000 1.071 53 K HN 0.221 nan 8.250 nan 0.000 0.502 54 G N 0.481 109.286 108.800 0.009 0.000 2.795 54 G HA2 -0.269 3.692 3.960 0.001 0.000 0.664 54 G HA3 -0.269 3.692 3.960 0.001 0.000 0.664 54 G C -0.438 174.494 174.900 0.055 0.000 1.381 54 G CA -0.497 44.620 45.100 0.027 0.000 0.853 54 G HN 0.625 nan 8.290 nan 0.000 0.545 55 M N 0.115 119.762 119.600 0.079 0.000 2.260 55 M HA 0.327 4.808 4.480 0.001 0.000 0.348 55 M C 0.555 176.917 176.300 0.102 0.000 1.342 55 M CA -0.419 54.932 55.300 0.086 0.000 1.040 55 M CB 0.214 32.867 32.600 0.089 0.000 1.810 55 M HN 0.820 nan 8.290 nan 0.000 0.453 56 L N 7.338 128.609 121.223 0.079 0.000 2.410 56 L HA 0.377 4.718 4.340 0.001 0.000 0.273 56 L C -1.049 175.854 176.870 0.054 0.000 1.144 56 L CA 0.598 55.485 54.840 0.078 0.000 0.863 56 L CB 0.305 42.409 42.059 0.075 0.000 1.140 56 L HN 0.609 nan 8.230 nan 0.000 0.463 57 I N 4.494 125.092 120.570 0.047 0.000 2.410 57 I HA 0.310 4.481 4.170 0.001 0.000 0.286 57 I C -0.374 175.725 176.117 -0.031 0.000 1.009 57 I CA -0.279 61.000 61.300 -0.036 0.000 1.111 57 I CB 1.480 39.414 38.000 -0.111 0.000 1.262 57 I HN 0.528 nan 8.210 nan 0.000 0.443 58 S N 7.240 122.909 115.700 -0.052 0.000 2.474 58 S HA 0.588 5.058 4.470 0.001 0.000 0.321 58 S C -0.468 174.097 174.600 -0.058 0.000 1.080 58 S CA -0.471 57.726 58.200 -0.004 0.000 1.106 58 S CB 1.447 64.701 63.200 0.090 0.000 0.984 58 S HN 0.481 nan 8.310 nan 0.000 0.464 59 I N 2.898 123.445 120.570 -0.039 0.000 2.509 59 I HA 0.827 4.998 4.170 0.001 0.000 0.293 59 I C 0.072 176.187 176.117 -0.004 0.000 1.020 59 I CA 0.074 61.340 61.300 -0.057 0.000 1.088 59 I CB 1.480 39.425 38.000 -0.092 0.000 1.267 59 I HN 0.799 nan 8.210 nan 0.000 0.430 60 G N 5.258 114.064 108.800 0.010 0.000 2.313 60 G HA2 0.276 4.237 3.960 0.001 0.000 0.296 60 G HA3 0.276 4.237 3.960 0.001 0.000 0.296 60 G C -2.007 172.926 174.900 0.055 0.000 1.356 60 G CA -0.732 44.388 45.100 0.034 0.000 0.833 60 G HN 0.493 nan 8.290 nan 0.000 0.552 61 E N 0.249 120.481 120.200 0.054 0.000 2.227 61 E HA 0.485 4.836 4.350 0.001 0.000 0.268 61 E C 0.238 176.884 176.600 0.076 0.000 0.990 61 E CA -0.810 55.630 56.400 0.067 0.000 0.856 61 E CB 1.132 30.860 29.700 0.047 0.000 1.159 61 E HN 0.714 nan 8.360 nan 0.000 0.401 62 K N 0.471 120.923 120.400 0.086 0.000 2.472 62 K HA 0.265 4.585 4.320 0.001 0.000 0.280 62 K C 0.756 177.387 176.600 0.051 0.000 1.028 62 K CA 0.605 56.938 56.287 0.077 0.000 1.045 62 K CB 0.084 32.626 32.500 0.069 0.000 0.902 62 K HN 0.614 nan 8.250 nan 0.000 0.478 63 G N 2.106 110.933 108.800 0.044 0.000 2.284 63 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 63 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 63 G C -0.571 174.345 174.900 0.027 0.000 1.009 63 G CA 0.008 45.124 45.100 0.028 0.000 0.625 63 G HN 0.724 nan 8.290 nan 0.000 0.501 64 D N 1.200 121.622 120.400 0.037 0.000 2.424 64 D HA 0.361 5.002 4.640 0.001 0.000 0.244 64 D C 1.719 178.042 176.300 0.038 0.000 1.134 64 D CA 0.474 54.495 54.000 0.035 0.000 0.881 64 D CB 1.167 41.991 40.800 0.040 0.000 1.191 64 D HN 0.677 nan 8.370 nan 0.000 0.445 65 K N 0.226 120.643 120.400 0.028 0.000 2.280 65 K HA -0.154 4.167 4.320 0.001 0.000 0.202 65 K C 1.475 178.098 176.600 0.038 0.000 1.047 65 K CA 1.184 57.486 56.287 0.024 0.000 0.942 65 K CB -0.052 32.456 32.500 0.014 0.000 0.739 65 K HN 0.282 nan 8.250 nan 0.000 0.457 66 S N 1.189 116.921 115.700 0.054 0.000 2.383 66 S HA -0.134 4.336 4.470 0.001 0.000 0.229 66 S C 1.914 176.601 174.600 0.145 0.000 1.030 66 S CA 1.161 59.409 58.200 0.081 0.000 1.002 66 S CB -0.551 62.689 63.200 0.067 0.000 0.829 66 S HN 0.384 nan 8.310 nan 0.000 0.467 67 V N -2.520 117.490 119.914 0.159 0.000 3.330 67 V HA 0.506 4.627 4.120 0.001 0.000 0.309 67 V C 1.856 178.075 176.094 0.208 0.000 1.481 67 V CA -0.044 62.440 62.300 0.306 0.000 1.068 67 V CB -0.523 31.470 31.823 0.283 0.000 0.935 67 V HN 0.289 nan 8.190 nan 0.000 0.453 68 R N 1.546 122.092 120.500 0.076 0.000 2.096 68 R HA -0.174 4.166 4.340 0.001 0.000 0.240 68 R C 2.232 178.505 176.300 -0.046 0.000 1.139 68 R CA 2.398 58.511 56.100 0.022 0.000 0.952 68 R CB -0.358 29.943 30.300 0.002 0.000 0.854 68 R HN 0.517 nan 8.270 nan 0.000 0.436 69 K N -0.995 119.307 120.400 -0.163 0.000 2.163 69 K HA -0.233 4.088 4.320 0.001 0.000 0.210 69 K C 1.139 177.514 176.600 -0.375 0.000 1.048 69 K CA 2.032 58.109 56.287 -0.349 0.000 0.928 69 K CB -0.192 31.893 32.500 -0.692 0.000 0.716 69 K HN 0.350 nan 8.250 nan 0.000 0.459 70 Y N -0.089 120.220 120.300 0.015 0.000 2.470 70 Y HA 0.035 4.586 4.550 0.001 0.000 0.284 70 Y C 2.051 177.910 175.900 -0.069 0.000 1.188 70 Y CA 0.190 58.278 58.100 -0.020 0.000 1.269 70 Y CB -0.254 38.259 38.460 0.089 0.000 1.094 70 Y HN 0.105 nan 8.280 nan 0.000 0.518 71 S N 0.443 116.168 115.700 0.040 0.000 2.387 71 S HA -0.279 4.192 4.470 0.001 0.000 0.230 71 S C 1.959 176.547 174.600 -0.021 0.000 1.035 71 S CA 1.244 59.456 58.200 0.019 0.000 1.014 71 S CB -0.272 62.927 63.200 -0.001 0.000 0.836 71 S HN 0.506 nan 8.310 nan 0.000 0.466 72 R N 0.699 121.171 120.500 -0.047 0.000 2.189 72 R HA 0.081 4.421 4.340 0.001 0.000 0.223 72 R C 2.348 178.583 176.300 -0.109 0.000 1.092 72 R CA 1.197 57.258 56.100 -0.065 0.000 0.989 72 R CB -0.145 30.120 30.300 -0.058 0.000 0.876 72 R HN 0.536 nan 8.270 nan 0.000 0.457 73 Q N 0.084 119.764 119.800 -0.201 0.000 2.376 73 Q HA 0.113 4.454 4.340 0.001 0.000 0.206 73 Q C 0.616 176.458 176.000 -0.264 0.000 0.921 73 Q CA 0.501 56.043 55.803 -0.435 0.000 0.911 73 Q CB 0.434 28.451 28.738 -1.201 0.000 1.032 73 Q HN 0.329 nan 8.270 nan 0.000 0.510 74 I N 3.948 124.469 120.570 -0.081 0.000 2.436 74 I HA 0.089 4.259 4.170 0.001 0.000 0.289 74 I C -2.102 174.057 176.117 0.070 0.000 1.083 74 I CA -1.871 59.477 61.300 0.079 0.000 1.372 74 I CB 0.583 38.657 38.000 0.122 0.000 1.408 74 I HN -0.198 nan 8.210 nan 0.000 0.516 75 P HA -0.052 nan 4.420 nan 0.000 0.264 75 P C -0.387 176.949 177.300 0.060 0.000 1.193 75 P CA -0.082 63.103 63.100 0.142 0.000 0.763 75 P CB 0.384 32.247 31.700 0.271 0.000 0.810 76 D N 3.448 123.785 120.400 -0.104 0.000 2.767 76 D HA 0.007 4.647 4.640 0.001 0.000 0.231 76 D C -0.534 175.425 176.300 -0.569 0.000 1.105 76 D CA 0.256 54.100 54.000 -0.260 0.000 1.024 76 D CB -0.778 39.866 40.800 -0.261 0.000 1.123 76 D HN 0.330 nan 8.370 nan 0.000 0.470 77 H N 0.700 119.670 119.070 -0.168 0.000 2.865 77 H HA 0.219 4.775 4.556 0.001 0.000 0.362 77 H C 0.046 175.336 175.328 -0.064 0.000 1.114 77 H CA -0.801 55.123 56.048 -0.206 0.000 1.208 77 H CB 1.389 30.881 29.762 -0.450 0.000 1.727 77 H HN 0.032 nan 8.280 nan 0.000 0.534 78 K N 1.751 122.181 120.400 0.050 0.000 2.484 78 K HA -0.069 4.252 4.320 0.001 0.000 0.280 78 K C 0.366 177.049 176.600 0.138 0.000 1.013 78 K CA 0.679 57.008 56.287 0.070 0.000 1.029 78 K CB 0.473 32.987 32.500 0.024 0.000 0.902 78 K HN 0.712 nan 8.250 nan 0.000 0.481 79 E N -1.054 119.266 120.200 0.200 0.000 3.673 79 E HA -0.205 4.146 4.350 0.001 0.000 0.309 79 E C 0.488 177.387 176.600 0.499 0.000 0.819 79 E CA 0.558 57.172 56.400 0.357 0.000 1.111 79 E CB -1.648 28.338 29.700 0.476 0.000 1.561 79 E HN 0.831 nan 8.360 nan 0.000 0.450 80 G N 0.319 109.335 108.800 0.359 0.000 2.606 80 G HA2 0.431 4.392 3.960 0.001 0.000 0.252 80 G HA3 0.431 4.392 3.960 0.001 0.000 0.252 80 G C -0.315 174.842 174.900 0.429 0.000 1.206 80 G CA 0.281 45.604 45.100 0.371 0.000 0.861 80 G HN 0.274 nan 8.290 nan 0.000 0.561 81 Y N -1.688 118.804 120.300 0.320 0.000 2.624 81 Y HA 0.621 5.171 4.550 0.001 0.000 0.334 81 Y C -1.871 174.201 175.900 0.287 0.000 1.155 81 Y CA -2.134 56.123 58.100 0.260 0.000 1.046 81 Y CB 1.288 39.879 38.460 0.217 0.000 1.316 81 Y HN 0.649 nan 8.280 nan 0.000 0.457 82 Y N 3.454 123.914 120.300 0.266 0.000 2.364 82 Y HA 0.754 5.305 4.550 0.001 0.000 0.340 82 Y C -1.813 174.225 175.900 0.230 0.000 0.975 82 Y CA -2.071 56.127 58.100 0.163 0.000 1.089 82 Y CB 1.714 40.230 38.460 0.094 0.000 1.192 82 Y HN 0.973 nan 8.280 nan 0.000 0.454 83 L N 5.645 126.717 121.223 -0.252 0.000 2.385 83 L HA 0.738 5.079 4.340 0.001 0.000 0.273 83 L C -1.295 175.230 176.870 -0.576 0.000 0.990 83 L CA -0.331 54.316 54.840 -0.321 0.000 0.821 83 L CB 1.754 43.843 42.059 0.049 0.000 1.279 83 L HN 0.688 nan 8.230 nan 0.000 0.412 84 S N 3.709 119.081 115.700 -0.546 0.000 2.575 84 S HA 0.754 5.225 4.470 0.001 0.000 0.278 84 S C -1.494 173.006 174.600 -0.167 0.000 1.139 84 S CA -0.463 57.514 58.200 -0.373 0.000 0.954 84 S CB 1.737 64.668 63.200 -0.450 0.000 1.054 84 S HN 0.407 nan 8.310 nan 0.000 0.483 85 V N 5.562 125.440 119.914 -0.060 0.000 2.487 85 V HA 0.628 4.749 4.120 0.001 0.000 0.298 85 V C -0.505 175.594 176.094 0.008 0.000 1.028 85 V CA -0.746 61.554 62.300 0.001 0.000 0.860 85 V CB 1.428 33.282 31.823 0.052 0.000 0.991 85 V HN 0.992 nan 8.190 nan 0.000 0.427 86 N N 1.925 120.635 118.700 0.017 0.000 2.902 86 N HA 0.357 5.098 4.740 0.001 0.000 0.268 86 N C 0.338 175.867 175.510 0.031 0.000 1.450 86 N CA -0.944 52.122 53.050 0.027 0.000 0.819 86 N CB 1.007 39.516 38.487 0.037 0.000 1.540 86 N HN 0.369 nan 8.380 nan 0.000 0.545 87 E N -0.710 119.509 120.200 0.032 0.000 2.267 87 E HA -0.213 4.138 4.350 0.001 0.000 0.197 87 E C 0.991 177.613 176.600 0.037 0.000 0.998 87 E CA 0.932 57.351 56.400 0.032 0.000 0.830 87 E CB 0.062 29.780 29.700 0.029 0.000 0.751 87 E HN 0.581 nan 8.360 nan 0.000 0.491 88 K N 1.354 121.779 120.400 0.042 0.000 2.214 88 K HA -0.030 4.290 4.320 0.001 0.000 0.201 88 K C 0.353 176.984 176.600 0.051 0.000 1.049 88 K CA 0.804 57.120 56.287 0.047 0.000 0.978 88 K CB 0.562 33.093 32.500 0.053 0.000 0.842 88 K HN 0.172 nan 8.250 nan 0.000 0.474 89 E N -0.216 120.012 120.200 0.046 0.000 2.430 89 E HA 0.404 4.755 4.350 0.001 0.000 0.279 89 E C -1.150 175.449 176.600 -0.001 0.000 1.003 89 E CA -0.891 55.531 56.400 0.037 0.000 0.801 89 E CB 1.360 31.097 29.700 0.062 0.000 1.313 89 E HN 0.007 nan 8.360 nan 0.000 0.459 90 I N 1.294 121.843 120.570 -0.036 0.000 2.433 90 I HA 0.434 4.605 4.170 0.001 0.000 0.292 90 I C -1.013 174.990 176.117 -0.190 0.000 1.001 90 I CA -1.287 59.950 61.300 -0.104 0.000 1.119 90 I CB 2.071 40.005 38.000 -0.110 0.000 1.289 90 I HN 0.316 nan 8.210 nan 0.000 0.438 91 V N 7.413 127.155 119.914 -0.285 0.000 2.531 91 V HA 0.453 4.574 4.120 0.001 0.000 0.301 91 V C -0.427 175.456 176.094 -0.352 0.000 1.034 91 V CA -0.480 61.597 62.300 -0.372 0.000 0.865 91 V CB 1.965 33.410 31.823 -0.630 0.000 0.995 91 V HN 0.458 nan 8.190 nan 0.000 0.424 92 L N 4.785 125.851 121.223 -0.262 0.000 2.417 92 L HA 0.804 5.145 4.340 0.001 0.000 0.259 92 L C 0.019 176.845 176.870 -0.074 0.000 1.023 92 L CA -0.264 54.450 54.840 -0.211 0.000 0.901 92 L CB 1.524 43.397 42.059 -0.309 0.000 1.227 92 L HN 0.715 nan 8.230 nan 0.000 0.454 93 A N 1.986 124.829 122.820 0.039 0.000 2.340 93 A HA 0.802 5.123 4.320 0.001 0.000 0.297 93 A C 0.181 177.898 177.584 0.222 0.000 1.195 93 A CA -0.387 51.735 52.037 0.141 0.000 0.769 93 A CB 1.073 20.204 19.000 0.218 0.000 1.163 93 A HN 0.596 nan 8.150 nan 0.000 0.472 94 G N 0.886 109.792 108.800 0.176 0.000 2.420 94 G HA2 0.354 4.314 3.960 0.001 0.000 0.284 94 G HA3 0.354 4.314 3.960 0.001 0.000 0.284 94 G C 0.621 175.631 174.900 0.183 0.000 1.177 94 G CA -0.325 44.906 45.100 0.218 0.000 0.841 94 G HN 0.734 nan 8.290 nan 0.000 0.527 95 N N 0.089 118.909 118.700 0.200 0.000 2.223 95 N HA -0.076 4.665 4.740 0.001 0.000 0.185 95 N C 0.344 175.914 175.510 0.101 0.000 1.016 95 N CA 1.792 54.923 53.050 0.135 0.000 0.863 95 N CB 0.133 38.699 38.487 0.131 0.000 0.983 95 N HN 0.740 nan 8.380 nan 0.000 0.429 96 D N -2.780 117.686 120.400 0.109 0.000 2.664 96 D HA 0.179 4.819 4.640 0.001 0.000 0.292 96 D C 0.291 176.627 176.300 0.060 0.000 1.214 96 D CA -0.635 53.408 54.000 0.072 0.000 0.932 96 D CB 0.243 41.083 40.800 0.066 0.000 1.420 96 D HN -0.087 nan 8.370 nan 0.000 0.471 97 E N -0.501 119.716 120.200 0.029 0.000 2.085 97 E HA -0.223 4.127 4.350 0.001 0.000 0.194 97 E C 1.737 178.332 176.600 -0.008 0.000 0.994 97 E CA 0.940 57.343 56.400 0.005 0.000 0.801 97 E CB 0.034 29.719 29.700 -0.024 0.000 0.743 97 E HN 0.367 nan 8.360 nan 0.000 0.453 98 R N 0.417 120.893 120.500 -0.041 0.000 2.092 98 R HA -0.100 4.241 4.340 0.001 0.000 0.231 98 R C 2.436 178.607 176.300 -0.216 0.000 1.119 98 R CA 1.279 57.264 56.100 -0.192 0.000 0.970 98 R CB -0.361 29.822 30.300 -0.194 0.000 0.864 98 R HN 0.192 nan 8.270 nan 0.000 0.440 99 G N -0.596 108.230 108.800 0.043 0.000 2.440 99 G HA2 -0.263 3.698 3.960 0.001 0.000 0.218 99 G HA3 -0.263 3.698 3.960 0.001 0.000 0.218 99 G C 1.273 176.277 174.900 0.174 0.000 1.154 99 G CA 1.366 46.618 45.100 0.254 0.000 0.767 99 G HN 0.351 nan 8.290 nan 0.000 0.552 100 T N -0.201 114.405 114.554 0.087 0.000 2.746 100 T HA -0.166 4.185 4.350 0.001 0.000 0.267 100 T C 1.990 176.677 174.700 -0.022 0.000 1.039 100 T CA 1.260 63.377 62.100 0.028 0.000 1.142 100 T CB -0.370 68.516 68.868 0.030 0.000 0.866 100 T HN 0.332 nan 8.240 nan 0.000 0.444 101 Y N 1.075 121.300 120.300 -0.125 0.000 2.128 101 Y HA -0.248 4.303 4.550 0.001 0.000 0.284 101 Y C 2.121 177.977 175.900 -0.073 0.000 1.154 101 Y CA 1.220 59.249 58.100 -0.119 0.000 1.149 101 Y CB -0.510 37.856 38.460 -0.155 0.000 0.976 101 Y HN 0.187 nan 8.280 nan 0.000 0.505 102 Y N -0.400 119.866 120.300 -0.057 0.000 2.224 102 Y HA -0.137 4.413 4.550 0.001 0.000 0.289 102 Y C 2.656 178.084 175.900 -0.787 0.000 1.146 102 Y CA 0.452 58.383 58.100 -0.282 0.000 1.182 102 Y CB -1.595 36.894 38.460 0.049 0.000 0.983 102 Y HN 0.238 nan 8.280 nan 0.000 0.524 103 A N 0.257 122.568 122.820 -0.848 0.000 1.892 103 A HA -0.178 4.142 4.320 0.001 0.000 0.218 103 A C 2.302 179.592 177.584 -0.490 0.000 1.188 103 A CA 1.625 53.046 52.037 -1.026 0.000 0.631 103 A CB -0.976 17.726 19.000 -0.497 0.000 0.822 103 A HN 0.343 nan 8.150 nan 0.000 0.447 104 L N -0.543 120.470 121.223 -0.351 0.000 2.131 104 L HA -0.152 4.188 4.340 0.001 0.000 0.210 104 L C 2.655 179.399 176.870 -0.210 0.000 1.092 104 L CA 1.558 56.258 54.840 -0.233 0.000 0.759 104 L CB -1.245 40.666 42.059 -0.246 0.000 0.903 104 L HN 0.472 nan 8.230 nan 0.000 0.435 105 Q N -0.989 118.611 119.800 -0.334 0.000 2.167 105 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 105 Q C 2.132 177.995 176.000 -0.229 0.000 0.970 105 Q CA 1.440 57.067 55.803 -0.293 0.000 0.855 105 Q CB -0.473 28.072 28.738 -0.322 0.000 0.911 105 Q HN 0.451 nan 8.270 nan 0.000 0.438 106 T N 0.930 115.341 114.554 -0.239 0.000 2.770 106 T HA -0.086 4.265 4.350 0.001 0.000 0.263 106 T C 1.474 176.132 174.700 -0.069 0.000 1.039 106 T CA 0.797 62.808 62.100 -0.148 0.000 1.142 106 T CB -0.389 68.428 68.868 -0.085 0.000 0.868 106 T HN 0.213 nan 8.240 nan 0.000 0.435 107 F N 2.431 122.260 119.950 -0.202 0.000 2.120 107 F HA -0.107 4.421 4.527 0.001 0.000 0.300 107 F C 2.430 178.146 175.800 -0.140 0.000 1.095 107 F CA 1.057 58.960 58.000 -0.161 0.000 1.249 107 F CB -0.653 38.241 39.000 -0.177 0.000 0.995 107 F HN 0.146 nan 8.300 nan 0.000 0.480 108 A N -0.368 122.390 122.820 -0.104 0.000 1.933 108 A HA -0.240 4.081 4.320 0.001 0.000 0.218 108 A C 2.122 179.587 177.584 -0.199 0.000 1.175 108 A CA 1.880 53.815 52.037 -0.170 0.000 0.628 108 A CB -0.755 18.182 19.000 -0.104 0.000 0.814 108 A HN 0.621 nan 8.150 nan 0.000 0.444 109 Q N -0.697 119.002 119.800 -0.170 0.000 2.187 109 Q HA 0.074 4.415 4.340 0.001 0.000 0.199 109 Q C 1.943 177.849 176.000 -0.157 0.000 0.957 109 Q CA 0.860 56.579 55.803 -0.141 0.000 0.857 109 Q CB -0.202 28.466 28.738 -0.118 0.000 0.929 109 Q HN 0.675 nan 8.270 nan 0.000 0.453 110 L N 0.384 121.485 121.223 -0.203 0.000 2.131 110 L HA -0.099 4.242 4.340 0.001 0.000 0.210 110 L C 0.852 177.563 176.870 -0.265 0.000 1.092 110 L CA 0.087 54.798 54.840 -0.214 0.000 0.759 110 L CB -0.173 41.751 42.059 -0.225 0.000 0.903 110 L HN 0.223 nan 8.230 nan 0.000 0.435 111 L N 1.312 122.314 121.223 -0.369 0.000 2.369 111 L HA 0.183 4.524 4.340 0.001 0.000 0.279 111 L C -0.346 176.403 176.870 -0.202 0.000 1.108 111 L CA 0.673 55.306 54.840 -0.346 0.000 0.852 111 L CB -0.056 41.727 42.059 -0.460 0.000 1.169 111 L HN -0.022 nan 8.230 nan 0.000 0.452 112 K N 4.088 124.398 120.400 -0.151 0.000 2.565 112 K HA 0.300 4.620 4.320 0.001 0.000 0.249 112 K C -0.837 175.717 176.600 -0.078 0.000 0.958 112 K CA -0.755 55.472 56.287 -0.101 0.000 0.806 112 K CB 1.492 33.942 32.500 -0.084 0.000 1.194 112 K HN 0.526 nan 8.250 nan 0.000 0.434 113 D N 1.922 122.284 120.400 -0.063 0.000 2.708 113 D HA -0.193 4.448 4.640 0.001 0.000 0.236 113 D C 0.800 177.073 176.300 -0.046 0.000 1.146 113 D CA 2.108 56.080 54.000 -0.047 0.000 0.662 113 D CB -0.978 39.800 40.800 -0.038 0.000 1.059 113 D HN 1.042 nan 8.370 nan 0.000 0.428 114 G N -1.108 107.658 108.800 -0.056 0.000 2.184 114 G HA2 -0.381 3.580 3.960 0.001 0.000 0.264 114 G HA3 -0.381 3.580 3.960 0.001 0.000 0.264 114 G C 0.312 175.180 174.900 -0.055 0.000 0.975 114 G CA 0.748 45.819 45.100 -0.049 0.000 0.642 114 G HN 0.534 nan 8.290 nan 0.000 0.536 115 K N -0.643 119.715 120.400 -0.071 0.000 2.328 115 K HA 0.808 5.128 4.320 0.001 0.000 0.246 115 K C -0.375 176.164 176.600 -0.102 0.000 0.955 115 K CA -0.851 55.396 56.287 -0.067 0.000 0.817 115 K CB 2.037 34.509 32.500 -0.047 0.000 1.208 115 K HN 0.111 nan 8.250 nan 0.000 0.432 116 L N 2.748 123.920 121.223 -0.086 0.000 2.354 116 L HA 0.539 4.880 4.340 0.001 0.000 0.269 116 L C -2.341 174.495 176.870 -0.056 0.000 1.005 116 L CA -2.201 52.577 54.840 -0.103 0.000 0.819 116 L CB 2.081 44.079 42.059 -0.102 0.000 1.311 116 L HN 0.452 nan 8.230 nan 0.000 0.423 117 P HA 0.078 nan 4.420 nan 0.000 0.277 117 P C -1.015 176.278 177.300 -0.012 0.000 1.240 117 P CA -0.472 62.611 63.100 -0.029 0.000 0.798 117 P CB 0.876 32.557 31.700 -0.030 0.000 0.979 118 E N 1.141 121.340 120.200 -0.002 0.000 2.220 118 E HA 0.293 4.644 4.350 0.001 0.000 0.272 118 E C -0.352 176.253 176.600 0.008 0.000 1.099 118 E CA -0.384 56.020 56.400 0.008 0.000 0.907 118 E CB 0.107 29.815 29.700 0.013 0.000 1.022 118 E HN 0.300 nan 8.360 nan 0.000 0.428 119 V N 1.015 120.933 119.914 0.008 0.000 3.147 119 V HA 0.624 4.745 4.120 0.001 0.000 0.306 119 V C -1.050 175.047 176.094 0.004 0.000 1.209 119 V CA -1.029 61.276 62.300 0.009 0.000 1.023 119 V CB 2.015 33.841 31.823 0.005 0.000 1.059 119 V HN 0.684 nan 8.190 nan 0.000 0.435 120 E N 1.641 121.855 120.200 0.023 0.000 2.256 120 E HA 0.778 5.128 4.350 0.001 0.000 0.268 120 E C -1.689 174.944 176.600 0.055 0.000 0.877 120 E CA -0.657 55.764 56.400 0.034 0.000 0.757 120 E CB 2.105 31.874 29.700 0.114 0.000 1.183 120 E HN 0.831 nan 8.360 nan 0.000 0.418 121 I N 3.744 124.338 120.570 0.040 0.000 2.533 121 I HA 0.398 4.569 4.170 0.001 0.000 0.290 121 I C -0.835 175.343 176.117 0.102 0.000 1.056 121 I CA -0.827 60.511 61.300 0.064 0.000 1.057 121 I CB 2.042 40.095 38.000 0.088 0.000 1.240 121 I HN 0.326 nan 8.210 nan 0.000 0.423 122 K N 4.238 124.673 120.400 0.059 0.000 2.463 122 K HA 0.560 4.880 4.320 0.001 0.000 0.255 122 K C -1.546 174.986 176.600 -0.115 0.000 0.942 122 K CA -0.750 55.565 56.287 0.046 0.000 0.814 122 K CB 2.226 34.811 32.500 0.143 0.000 1.122 122 K HN 0.369 nan 8.250 nan 0.000 0.425 123 D N 1.796 122.010 120.400 -0.309 0.000 2.661 123 D HA 0.514 5.155 4.640 0.001 0.000 0.228 123 D C -1.721 174.478 176.300 -0.168 0.000 1.183 123 D CA -0.258 53.504 54.000 -0.398 0.000 0.844 123 D CB 1.344 41.756 40.800 -0.647 0.000 1.555 123 D HN 0.408 nan 8.370 nan 0.000 0.453 124 Y N -1.560 118.656 120.300 -0.140 0.000 2.687 124 Y HA 0.538 5.089 4.550 0.001 0.000 0.338 124 Y C -3.120 172.072 175.900 -1.180 0.000 1.189 124 Y CA -1.836 56.027 58.100 -0.396 0.000 1.097 124 Y CB 0.628 38.876 38.460 -0.352 0.000 1.342 124 Y HN 0.059 nan 8.280 nan 0.000 0.461 125 P HA 0.278 nan 4.420 nan 0.000 0.281 125 P C -0.214 176.686 177.300 -0.666 0.000 1.249 125 P CA -0.269 61.880 63.100 -1.586 0.000 0.810 125 P CB 2.123 33.177 31.700 -1.076 0.000 1.008 126 S N 0.222 115.576 115.700 -0.578 0.000 2.470 126 S HA 0.080 4.551 4.470 0.001 0.000 0.225 126 S C 0.877 175.324 174.600 -0.254 0.000 1.006 126 S CA 0.283 58.289 58.200 -0.324 0.000 0.934 126 S CB 0.067 63.078 63.200 -0.314 0.000 0.778 126 S HN 0.313 nan 8.310 nan 0.000 0.517 127 V N 1.971 121.720 119.914 -0.275 0.000 2.495 127 V HA 0.395 4.516 4.120 0.001 0.000 0.298 127 V C 0.902 176.879 176.094 -0.196 0.000 1.031 127 V CA -0.770 61.411 62.300 -0.198 0.000 0.871 127 V CB 1.907 33.626 31.823 -0.174 0.000 0.988 127 V HN 0.077 nan 8.190 nan 0.000 0.432 128 R N 3.817 124.182 120.500 -0.225 0.000 2.075 128 R HA -0.018 4.323 4.340 0.001 0.000 0.232 128 R C -0.263 175.759 176.300 -0.463 0.000 1.126 128 R CA 1.659 57.527 56.100 -0.387 0.000 0.963 128 R CB -0.061 29.921 30.300 -0.531 0.000 0.858 128 R HN 0.580 nan 8.270 nan 0.000 0.435 129 Y N 0.056 120.332 120.300 -0.041 0.000 2.341 129 Y HA 0.548 5.099 4.550 0.001 0.000 0.338 129 Y C -0.568 175.297 175.900 -0.058 0.000 0.965 129 Y CA -1.004 57.080 58.100 -0.027 0.000 1.108 129 Y CB 1.811 40.223 38.460 -0.080 0.000 1.180 129 Y HN -0.102 nan 8.280 nan 0.000 0.458 130 R N 1.806 122.425 120.500 0.198 0.000 2.564 130 R HA 0.799 5.140 4.340 0.001 0.000 0.284 130 R C -0.307 176.072 176.300 0.132 0.000 1.031 130 R CA -0.841 55.349 56.100 0.151 0.000 0.904 130 R CB 2.345 32.723 30.300 0.130 0.000 1.199 130 R HN 0.907 nan 8.270 nan 0.000 0.443 131 G N 0.667 109.526 108.800 0.099 0.000 2.399 131 G HA2 0.300 4.261 3.960 0.001 0.000 0.256 131 G HA3 0.300 4.261 3.960 0.001 0.000 0.256 131 G C -1.862 172.999 174.900 -0.065 0.000 1.236 131 G CA -0.520 44.559 45.100 -0.035 0.000 0.914 131 G HN 0.315 nan 8.290 nan 0.000 0.482 132 V N 0.036 119.859 119.914 -0.151 0.000 2.656 132 V HA 0.685 4.806 4.120 0.001 0.000 0.307 132 V C -0.438 175.544 176.094 -0.186 0.000 1.051 132 V CA -0.768 61.477 62.300 -0.091 0.000 0.893 132 V CB 1.568 33.408 31.823 0.030 0.000 0.999 132 V HN 1.104 nan 8.190 nan 0.000 0.426 133 V N 4.462 124.147 119.914 -0.382 0.000 2.347 133 V HA 0.452 4.572 4.120 0.001 0.000 0.280 133 V C 0.316 176.004 176.094 -0.676 0.000 1.021 133 V CA -0.247 61.668 62.300 -0.642 0.000 0.847 133 V CB 1.428 32.612 31.823 -1.065 0.000 0.990 133 V HN 1.028 nan 8.190 nan 0.000 0.444 134 E N 4.961 124.700 120.200 -0.770 0.000 1.814 134 E HA 0.353 4.704 4.350 0.001 0.000 0.264 134 E C 0.765 176.718 176.600 -1.080 0.000 1.179 134 E CA 0.384 56.184 56.400 -1.001 0.000 0.972 134 E CB 0.173 29.234 29.700 -1.064 0.000 1.077 134 E HN 0.939 nan 8.360 nan 0.000 0.417 135 G N 4.170 112.438 108.800 -0.887 0.000 3.839 135 G HA2 0.101 4.062 3.960 0.001 0.000 0.286 135 G HA3 0.101 4.062 3.960 0.001 0.000 0.286 135 G C -0.165 174.491 174.900 -0.406 0.000 1.005 135 G CA -0.406 44.350 45.100 -0.572 0.000 0.824 135 G HN 0.422 nan 8.290 nan 0.000 0.489 136 F N -0.550 119.179 119.950 -0.369 0.000 2.380 136 F HA 0.796 5.323 4.527 0.001 0.000 0.319 136 F C -0.323 175.265 175.800 -0.353 0.000 1.113 136 F CA -2.738 55.095 58.000 -0.278 0.000 1.056 136 F CB 0.353 39.227 39.000 -0.211 0.000 1.289 136 F HN -0.043 nan 8.300 nan 0.000 0.515 137 Y N 0.461 120.879 120.300 0.197 0.000 2.320 137 Y HA 0.593 5.144 4.550 0.001 0.000 0.324 137 Y C 0.833 176.881 175.900 0.246 0.000 1.190 137 Y CA 0.223 58.396 58.100 0.123 0.000 1.215 137 Y CB 1.125 39.585 38.460 0.001 0.000 1.221 137 Y HN 1.091 nan 8.280 nan 0.000 0.486 138 G N 0.204 109.216 108.800 0.353 0.000 2.353 138 G HA2 -0.092 3.869 3.960 0.001 0.000 0.615 138 G HA3 -0.092 3.869 3.960 0.001 0.000 0.615 138 G C -1.061 174.005 174.900 0.277 0.000 1.280 138 G CA -1.196 44.072 45.100 0.280 0.000 1.000 138 G HN 0.507 nan 8.290 nan 0.000 0.516 139 T N 3.488 118.174 114.554 0.221 0.000 2.792 139 T HA 0.406 4.757 4.350 0.001 0.000 0.286 139 T C -1.908 172.983 174.700 0.318 0.000 0.970 139 T CA 0.445 62.677 62.100 0.220 0.000 1.187 139 T CB 0.561 69.534 68.868 0.175 0.000 0.915 139 T HN 0.468 nan 8.240 nan 0.000 0.529 140 P HA 0.079 nan 4.420 nan 0.000 0.269 140 P C -0.006 177.503 177.300 0.348 0.000 1.215 140 P CA -0.695 62.501 63.100 0.159 0.000 0.780 140 P CB 0.407 32.120 31.700 0.021 0.000 0.898 141 W N 1.423 122.859 121.300 0.227 0.000 2.274 141 W HA 0.041 4.702 4.660 0.002 0.000 0.345 141 W C 1.092 177.708 176.519 0.161 0.000 1.265 141 W CA -0.181 57.276 57.345 0.188 0.000 1.293 141 W CB -0.899 28.672 29.460 0.184 0.000 1.175 141 W HN 0.356 nan 8.180 nan 0.000 0.577 142 S N 0.956 116.857 115.700 0.335 0.000 2.600 142 S HA -0.034 4.437 4.470 0.001 0.000 0.265 142 S C 1.011 175.755 174.600 0.240 0.000 1.325 142 S CA 0.166 58.513 58.200 0.245 0.000 1.002 142 S CB 0.950 64.242 63.200 0.153 0.000 0.921 142 S HN 0.560 nan 8.310 nan 0.000 0.554 143 H N 1.073 120.226 119.070 0.138 0.000 2.321 143 H HA -0.061 4.496 4.556 0.001 0.000 0.300 143 H C 2.084 177.443 175.328 0.051 0.000 1.087 143 H CA 2.398 58.512 56.048 0.110 0.000 1.319 143 H CB -0.242 29.569 29.762 0.081 0.000 1.379 143 H HN 0.585 nan 8.280 nan 0.000 0.501 144 Q N 0.278 120.090 119.800 0.020 0.000 2.112 144 Q HA -0.154 4.186 4.340 0.001 0.000 0.206 144 Q C 2.543 178.462 176.000 -0.136 0.000 0.987 144 Q CA 1.525 57.285 55.803 -0.073 0.000 0.858 144 Q CB -0.909 27.822 28.738 -0.011 0.000 0.905 144 Q HN 0.643 nan 8.270 nan 0.000 0.420 145 A N 0.866 123.620 122.820 -0.109 0.000 1.902 145 A HA -0.200 4.121 4.320 0.001 0.000 0.217 145 A C 2.165 179.590 177.584 -0.264 0.000 1.181 145 A CA 1.523 53.426 52.037 -0.223 0.000 0.623 145 A CB -0.448 18.393 19.000 -0.264 0.000 0.818 145 A HN 0.313 nan 8.150 nan 0.000 0.443 146 R N -0.599 119.829 120.500 -0.121 0.000 2.096 146 R HA -0.042 4.299 4.340 0.001 0.000 0.235 146 R C 2.012 178.154 176.300 -0.263 0.000 1.127 146 R CA 1.376 57.410 56.100 -0.110 0.000 0.968 146 R CB -0.524 29.832 30.300 0.094 0.000 0.861 146 R HN 0.506 nan 8.270 nan 0.000 0.440 147 L N -0.154 120.895 121.223 -0.290 0.000 2.046 147 L HA -0.191 4.149 4.340 0.001 0.000 0.208 147 L C 2.640 179.365 176.870 -0.242 0.000 1.077 147 L CA 1.291 55.970 54.840 -0.269 0.000 0.747 147 L CB -0.462 41.434 42.059 -0.272 0.000 0.896 147 L HN 0.191 nan 8.230 nan 0.000 0.432 148 S N -1.057 114.494 115.700 -0.249 0.000 2.383 148 S HA -0.187 4.284 4.470 0.001 0.000 0.227 148 S C 2.050 176.469 174.600 -0.301 0.000 1.026 148 S CA 1.020 59.077 58.200 -0.238 0.000 0.981 148 S CB -0.048 63.005 63.200 -0.246 0.000 0.818 148 S HN 0.370 nan 8.310 nan 0.000 0.472 149 Q N 0.751 120.289 119.800 -0.438 0.000 2.061 149 Q HA -0.059 4.282 4.340 0.001 0.000 0.204 149 Q C 2.329 177.726 176.000 -1.006 0.000 0.984 149 Q CA 1.373 56.767 55.803 -0.681 0.000 0.846 149 Q CB -0.661 27.695 28.738 -0.637 0.000 0.902 149 Q HN 0.553 nan 8.270 nan 0.000 0.421 150 L N 0.418 121.227 121.223 -0.690 0.000 2.141 150 L HA -0.179 4.162 4.340 0.001 0.000 0.209 150 L C 2.403 179.148 176.870 -0.208 0.000 1.094 150 L CA 1.097 55.654 54.840 -0.473 0.000 0.763 150 L CB -0.268 41.654 42.059 -0.229 0.000 0.908 150 L HN 0.149 nan 8.230 nan 0.000 0.437 151 K N -0.659 119.647 120.400 -0.157 0.000 2.057 151 K HA -0.157 4.164 4.320 0.001 0.000 0.206 151 K C 2.044 178.681 176.600 0.061 0.000 1.050 151 K CA 1.248 57.522 56.287 -0.023 0.000 0.935 151 K CB -0.225 32.259 32.500 -0.026 0.000 0.715 151 K HN 0.027 nan 8.250 nan 0.000 0.439 152 F N 0.830 120.693 119.950 -0.146 0.000 2.126 152 F HA -0.259 4.268 4.527 0.001 0.000 0.299 152 F C 1.770 177.654 175.800 0.139 0.000 1.096 152 F CA 1.440 59.422 58.000 -0.031 0.000 1.255 152 F CB -0.175 38.783 39.000 -0.070 0.000 0.997 152 F HN 0.017 nan 8.300 nan 0.000 0.479 153 Y N 0.164 120.549 120.300 0.142 0.000 2.128 153 Y HA -0.086 4.465 4.550 0.002 0.000 0.284 153 Y C 2.799 178.736 175.900 0.061 0.000 1.154 153 Y CA 0.653 58.803 58.100 0.083 0.000 1.149 153 Y CB -1.757 36.797 38.460 0.155 0.000 0.976 153 Y HN 0.082 nan 8.280 nan 0.000 0.505 154 G N -0.009 108.958 108.800 0.277 0.000 2.440 154 G HA2 -0.261 3.700 3.960 0.001 0.000 0.218 154 G HA3 -0.261 3.700 3.960 0.001 0.000 0.218 154 G C 1.776 176.802 174.900 0.211 0.000 1.154 154 G CA 0.953 46.268 45.100 0.358 0.000 0.767 154 G HN 0.337 nan 8.290 nan 0.000 0.552 155 K N 0.222 120.638 120.400 0.028 0.000 2.147 155 K HA -0.017 4.303 4.320 0.001 0.000 0.205 155 K C 1.351 177.800 176.600 -0.251 0.000 1.049 155 K CA 0.904 57.119 56.287 -0.121 0.000 0.936 155 K CB -0.019 32.397 32.500 -0.140 0.000 0.722 155 K HN 0.224 nan 8.250 nan 0.000 0.446 156 N N 0.766 119.289 118.700 -0.294 0.000 2.235 156 N HA 0.046 4.786 4.740 0.001 0.000 0.209 156 N C -0.760 174.526 175.510 -0.373 0.000 1.122 156 N CA 0.166 52.971 53.050 -0.408 0.000 0.845 156 N CB 0.801 38.978 38.487 -0.516 0.000 1.004 156 N HN 0.072 nan 8.380 nan 0.000 0.499 157 K N 0.141 120.338 120.400 -0.339 0.000 3.129 157 K HA -0.174 4.147 4.320 0.001 0.000 0.273 157 K C -0.340 176.167 176.600 -0.156 0.000 1.123 157 K CA 0.590 56.525 56.287 -0.587 0.000 0.800 157 K CB -1.568 30.150 32.500 -1.304 0.000 1.238 157 K HN 0.293 nan 8.250 nan 0.000 0.492 158 M N 1.715 121.341 119.600 0.042 0.000 2.146 158 M HA 0.075 4.555 4.480 0.001 0.000 0.357 158 M C 1.112 177.566 176.300 0.257 0.000 1.261 158 M CA -0.165 55.208 55.300 0.121 0.000 1.106 158 M CB 0.627 33.241 32.600 0.024 0.000 1.612 158 M HN 0.199 nan 8.290 nan 0.000 0.470 159 N N 0.569 119.445 118.700 0.293 0.000 2.203 159 N HA 0.089 4.830 4.740 0.001 0.000 0.207 159 N C -0.852 174.839 175.510 0.302 0.000 1.130 159 N CA -0.231 53.033 53.050 0.357 0.000 0.861 159 N CB 0.618 39.359 38.487 0.424 0.000 1.005 159 N HN 0.360 nan 8.380 nan 0.000 0.507 160 T N 0.560 115.258 114.554 0.240 0.000 2.928 160 T HA 0.266 4.617 4.350 0.001 0.000 0.296 160 T C -2.162 172.636 174.700 0.163 0.000 1.000 160 T CA -0.480 61.744 62.100 0.206 0.000 0.989 160 T CB 1.343 70.346 68.868 0.225 0.000 1.005 160 T HN 0.193 nan 8.240 nan 0.000 0.442 161 Y N 4.241 124.551 120.300 0.016 0.000 2.322 161 Y HA 0.616 5.167 4.550 0.002 0.000 0.324 161 Y C -1.416 174.355 175.900 -0.215 0.000 1.027 161 Y CA -1.297 56.776 58.100 -0.046 0.000 1.179 161 Y CB 0.576 39.117 38.460 0.136 0.000 1.136 161 Y HN 0.602 nan 8.280 nan 0.000 0.449 162 I N 7.378 127.571 120.570 -0.629 0.000 2.304 162 I HA 0.155 4.326 4.170 0.001 0.000 0.291 162 I C -0.945 174.530 176.117 -1.070 0.000 1.018 162 I CA -0.801 60.078 61.300 -0.702 0.000 1.260 162 I CB 0.656 38.422 38.000 -0.391 0.000 1.390 162 I HN 0.629 nan 8.210 nan 0.000 0.475 163 Y N 5.888 125.464 120.300 -1.207 0.000 2.425 163 Y HA 0.564 5.115 4.550 0.001 0.000 0.347 163 Y C 0.607 175.970 175.900 -0.894 0.000 0.976 163 Y CA -0.332 57.147 58.100 -1.034 0.000 1.190 163 Y CB 1.088 39.129 38.460 -0.698 0.000 1.136 163 Y HN 0.608 nan 8.280 nan 0.000 0.517 164 G N 7.219 115.311 108.800 -1.181 0.000 4.775 164 G HA2 0.156 4.116 3.960 0.001 0.000 0.222 164 G HA3 0.156 4.116 3.960 0.001 0.000 0.222 164 G C -3.371 170.744 174.900 -1.309 0.000 0.974 164 G CA -0.937 43.282 45.100 -1.468 0.000 0.614 164 G HN 0.400 nan 8.290 nan 0.000 0.427 165 P HA 0.149 nan 4.420 nan 0.000 0.271 165 P C 0.968 177.914 177.300 -0.591 0.000 1.233 165 P CA -0.180 62.332 63.100 -0.979 0.000 0.764 165 P CB 1.534 32.744 31.700 -0.816 0.000 0.825 166 K N 2.047 122.114 120.400 -0.555 0.000 2.160 166 K HA -0.138 4.183 4.320 0.001 0.000 0.206 166 K C 0.544 177.067 176.600 -0.128 0.000 1.047 166 K CA 1.491 57.536 56.287 -0.403 0.000 0.930 166 K CB -0.265 31.730 32.500 -0.840 0.000 0.720 166 K HN 0.486 nan 8.250 nan 0.000 0.450 167 D N 1.017 121.362 120.400 -0.092 0.000 2.328 167 D HA -0.048 4.593 4.640 0.001 0.000 0.221 167 D C -0.079 176.266 176.300 0.075 0.000 1.072 167 D CA 0.165 54.192 54.000 0.045 0.000 0.850 167 D CB -0.018 40.846 40.800 0.106 0.000 0.922 167 D HN 0.101 nan 8.370 nan 0.000 0.516 168 D N 1.473 121.921 120.400 0.079 0.000 2.336 168 D HA 0.043 4.684 4.640 0.001 0.000 0.249 168 D C -1.433 174.991 176.300 0.206 0.000 1.213 168 D CA -2.002 52.122 54.000 0.207 0.000 0.870 168 D CB 1.710 42.688 40.800 0.297 0.000 1.076 168 D HN -0.037 nan 8.370 nan 0.000 0.483 169 P HA -0.122 nan 4.420 nan 0.000 0.226 169 P C 0.565 177.739 177.300 -0.211 0.000 1.153 169 P CA 0.772 63.816 63.100 -0.094 0.000 0.777 169 P CB 0.024 31.575 31.700 -0.249 0.000 0.794 170 Y N -1.681 118.674 120.300 0.092 0.000 2.511 170 Y HA 0.022 4.573 4.550 0.002 0.000 0.279 170 Y C 2.651 178.722 175.900 0.285 0.000 1.157 170 Y CA 0.564 58.632 58.100 -0.053 0.000 1.300 170 Y CB -0.789 37.215 38.460 -0.760 0.000 1.052 170 Y HN 0.138 nan 8.280 nan 0.000 0.529 171 H N -1.644 117.668 119.070 0.402 0.000 2.439 171 H HA 0.190 4.747 4.556 0.001 0.000 0.299 171 H C 1.555 177.001 175.328 0.197 0.000 1.033 171 H CA 0.964 57.195 56.048 0.305 0.000 1.348 171 H CB 0.329 30.190 29.762 0.165 0.000 1.449 171 H HN 0.065 nan 8.280 nan 0.000 0.544 172 S N -0.799 114.957 115.700 0.093 0.000 2.841 172 S HA 0.701 5.172 4.470 0.001 0.000 0.274 172 S C -0.475 174.281 174.600 0.259 0.000 1.044 172 S CA -0.366 57.894 58.200 0.099 0.000 0.952 172 S CB 0.195 63.471 63.200 0.127 0.000 1.331 172 S HN 0.582 nan 8.310 nan 0.000 0.610 173 A N 2.053 125.020 122.820 0.244 0.000 2.511 173 A HA 0.416 4.737 4.320 0.001 0.000 0.242 173 A C -1.792 175.836 177.584 0.073 0.000 1.069 173 A CA -0.660 51.487 52.037 0.182 0.000 0.763 173 A CB -0.321 18.770 19.000 0.152 0.000 1.001 173 A HN 0.687 nan 8.150 nan 0.000 0.498 174 P HA 0.111 nan 4.420 nan 0.000 0.272 174 P C 0.017 177.214 177.300 -0.172 0.000 1.276 174 P CA 0.265 63.340 63.100 -0.042 0.000 0.871 174 P CB 0.456 32.115 31.700 -0.068 0.000 1.313 175 N N 0.292 118.874 118.700 -0.196 0.000 2.273 175 N HA 0.039 4.780 4.740 0.001 0.000 0.231 175 N C 1.313 176.735 175.510 -0.147 0.000 1.134 175 N CA -0.314 52.564 53.050 -0.287 0.000 0.856 175 N CB -0.495 37.704 38.487 -0.480 0.000 1.068 175 N HN 0.370 nan 8.380 nan 0.000 0.510 176 W N 0.790 122.070 121.300 -0.032 0.000 2.341 176 W HA -0.120 4.541 4.660 0.001 0.000 0.283 176 W C 0.751 177.319 176.519 0.081 0.000 1.215 176 W CA 0.211 57.589 57.345 0.056 0.000 1.211 176 W CB -0.683 28.770 29.460 -0.011 0.000 1.131 176 W HN 0.042 nan 8.180 nan 0.000 0.552 177 R N 0.207 120.350 120.500 -0.596 0.000 2.235 177 R HA 0.013 4.354 4.340 0.001 0.000 0.213 177 R C 0.272 176.483 176.300 -0.149 0.000 1.059 177 R CA 0.350 56.139 56.100 -0.518 0.000 0.997 177 R CB -0.374 29.435 30.300 -0.818 0.000 0.884 177 R HN 0.009 nan 8.270 nan 0.000 0.462 178 L N 1.249 122.443 121.223 -0.048 0.000 2.325 178 L HA 0.335 4.676 4.340 0.001 0.000 0.279 178 L C -2.201 174.712 176.870 0.071 0.000 1.054 178 L CA -2.634 52.232 54.840 0.043 0.000 0.804 178 L CB 1.165 43.306 42.059 0.136 0.000 1.200 178 L HN -0.208 nan 8.230 nan 0.000 0.436 179 P HA 0.036 nan 4.420 nan 0.000 0.269 179 P C -1.039 176.119 177.300 -0.236 0.000 1.209 179 P CA -0.109 62.961 63.100 -0.049 0.000 0.776 179 P CB 0.131 31.817 31.700 -0.023 0.000 0.876 180 Y N 1.994 122.100 120.300 -0.324 0.000 2.702 180 Y HA 0.062 4.613 4.550 0.001 0.000 0.336 180 Y C -1.245 174.394 175.900 -0.435 0.000 1.235 180 Y CA -0.844 56.893 58.100 -0.605 0.000 1.492 180 Y CB -1.049 37.186 38.460 -0.375 0.000 1.308 180 Y HN 0.395 nan 8.280 nan 0.000 0.589 181 P HA -0.022 nan 4.420 nan 0.000 0.271 181 P C 0.142 177.400 177.300 -0.070 0.000 1.244 181 P CA -0.108 62.915 63.100 -0.129 0.000 0.793 181 P CB 0.756 32.409 31.700 -0.078 0.000 0.984 182 D N 0.356 120.726 120.400 -0.050 0.000 2.133 182 D HA -0.204 4.436 4.640 0.001 0.000 0.195 182 D C 1.654 177.918 176.300 -0.060 0.000 0.997 182 D CA 1.501 55.471 54.000 -0.050 0.000 0.840 182 D CB -0.244 40.533 40.800 -0.037 0.000 0.947 182 D HN 0.485 nan 8.370 nan 0.000 0.452 183 K N 0.759 121.131 120.400 -0.046 0.000 2.009 183 K HA -0.209 4.112 4.320 0.001 0.000 0.210 183 K C 1.870 178.419 176.600 -0.085 0.000 1.049 183 K CA 1.422 57.675 56.287 -0.056 0.000 0.929 183 K CB 0.063 32.547 32.500 -0.026 0.000 0.714 183 K HN -0.086 nan 8.250 nan 0.000 0.440 184 E N 0.405 120.573 120.200 -0.053 0.000 2.072 184 E HA -0.097 4.253 4.350 0.001 0.000 0.191 184 E C 1.835 178.319 176.600 -0.192 0.000 0.985 184 E CA 1.265 57.626 56.400 -0.065 0.000 0.801 184 E CB -0.262 29.494 29.700 0.093 0.000 0.750 184 E HN 0.459 nan 8.360 nan 0.000 0.452 185 A N 1.141 123.867 122.820 -0.158 0.000 1.883 185 A HA -0.189 4.132 4.320 0.001 0.000 0.217 185 A C 2.391 179.848 177.584 -0.212 0.000 1.186 185 A CA 2.158 54.069 52.037 -0.210 0.000 0.624 185 A CB -1.009 17.918 19.000 -0.121 0.000 0.822 185 A HN 0.300 nan 8.150 nan 0.000 0.444 186 A N -0.910 121.814 122.820 -0.160 0.000 1.933 186 A HA -0.199 4.122 4.320 0.001 0.000 0.218 186 A C 2.127 179.610 177.584 -0.168 0.000 1.175 186 A CA 1.653 53.603 52.037 -0.145 0.000 0.628 186 A CB -0.563 18.369 19.000 -0.114 0.000 0.814 186 A HN 0.683 nan 8.150 nan 0.000 0.444 187 Q N -0.341 119.327 119.800 -0.221 0.000 2.020 187 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 187 Q C 2.126 178.078 176.000 -0.080 0.000 0.982 187 Q CA 1.602 57.241 55.803 -0.275 0.000 0.838 187 Q CB -0.405 28.064 28.738 -0.448 0.000 0.899 187 Q HN 0.673 nan 8.270 nan 0.000 0.423 188 L N 0.557 121.652 121.223 -0.214 0.000 2.042 188 L HA -0.279 4.062 4.340 0.001 0.000 0.210 188 L C 2.688 179.327 176.870 -0.384 0.000 1.076 188 L CA 1.402 56.033 54.840 -0.349 0.000 0.749 188 L CB -0.504 41.204 42.059 -0.586 0.000 0.893 188 L HN 0.354 nan 8.230 nan 0.000 0.432 189 Q N -0.040 119.579 119.800 -0.301 0.000 2.112 189 Q HA -0.302 4.038 4.340 0.001 0.000 0.206 189 Q C 2.200 178.086 176.000 -0.190 0.000 0.987 189 Q CA 2.187 57.838 55.803 -0.252 0.000 0.858 189 Q CB -0.033 28.595 28.738 -0.184 0.000 0.905 189 Q HN 0.486 nan 8.270 nan 0.000 0.420 190 E N -0.163 119.973 120.200 -0.107 0.000 2.106 190 E HA -0.175 4.176 4.350 0.001 0.000 0.192 190 E C 2.030 178.603 176.600 -0.045 0.000 0.984 190 E CA 0.691 57.069 56.400 -0.036 0.000 0.806 190 E CB -0.053 29.684 29.700 0.062 0.000 0.750 190 E HN 0.401 nan 8.360 nan 0.000 0.458 191 L N 0.486 121.687 121.223 -0.037 0.000 2.042 191 L HA -0.185 4.156 4.340 0.001 0.000 0.210 191 L C 2.571 179.382 176.870 -0.100 0.000 1.076 191 L CA 0.791 55.612 54.840 -0.031 0.000 0.749 191 L CB -0.473 41.654 42.059 0.114 0.000 0.893 191 L HN 0.103 nan 8.230 nan 0.000 0.432 192 V N 0.245 119.954 119.914 -0.341 0.000 2.332 192 V HA -0.312 3.808 4.120 0.001 0.000 0.248 192 V C 2.797 178.806 176.094 -0.142 0.000 1.055 192 V CA 1.900 64.008 62.300 -0.319 0.000 1.038 192 V CB -0.941 30.604 31.823 -0.463 0.000 0.651 192 V HN 0.493 nan 8.190 nan 0.000 0.450 193 A N -0.249 122.490 122.820 -0.135 0.000 1.877 193 A HA -0.155 4.165 4.320 0.001 0.000 0.216 193 A C 2.379 179.911 177.584 -0.087 0.000 1.186 193 A CA 2.118 54.097 52.037 -0.096 0.000 0.620 193 A CB -0.679 18.272 19.000 -0.082 0.000 0.822 193 A HN 0.345 nan 8.150 nan 0.000 0.443 194 V N -0.117 119.751 119.914 -0.076 0.000 2.358 194 V HA -0.213 3.908 4.120 0.001 0.000 0.246 194 V C 3.043 179.094 176.094 -0.072 0.000 1.047 194 V CA 1.745 63.998 62.300 -0.079 0.000 1.035 194 V CB -1.331 30.446 31.823 -0.077 0.000 0.658 194 V HN 0.622 nan 8.190 nan 0.000 0.452 195 A N 0.848 123.665 122.820 -0.006 0.000 1.873 195 A HA -0.297 4.024 4.320 0.001 0.000 0.218 195 A C 2.082 179.652 177.584 -0.024 0.000 1.193 195 A CA 2.376 54.449 52.037 0.060 0.000 0.629 195 A CB -0.844 18.299 19.000 0.239 0.000 0.826 195 A HN 0.589 nan 8.150 nan 0.000 0.447 196 N N 0.031 118.696 118.700 -0.057 0.000 2.061 196 N HA -0.189 4.552 4.740 0.001 0.000 0.193 196 N C 1.588 176.867 175.510 -0.384 0.000 1.030 196 N CA 1.872 54.856 53.050 -0.109 0.000 0.856 196 N CB -0.596 37.861 38.487 -0.050 0.000 1.023 196 N HN 0.700 nan 8.380 nan 0.000 0.424 197 E N 0.071 119.983 120.200 -0.481 0.000 2.265 197 E HA 0.009 4.360 4.350 0.001 0.000 0.196 197 E C 0.557 176.712 176.600 -0.741 0.000 0.996 197 E CA 0.554 56.441 56.400 -0.855 0.000 0.832 197 E CB 0.015 29.494 29.700 -0.370 0.000 0.756 197 E HN 0.356 nan 8.360 nan 0.000 0.491 198 N N 0.705 119.149 118.700 -0.426 0.000 2.238 198 N HA -0.018 4.723 4.740 0.001 0.000 0.222 198 N C -0.672 174.644 175.510 -0.324 0.000 1.133 198 N CA 0.199 53.078 53.050 -0.284 0.000 0.854 198 N CB 0.804 39.277 38.487 -0.023 0.000 1.041 198 N HN 0.027 nan 8.380 nan 0.000 0.510 199 E N -0.149 119.793 120.200 -0.430 0.000 2.476 199 E HA -0.155 4.196 4.350 0.001 0.000 0.251 199 E C -0.629 176.002 176.600 0.051 0.000 1.130 199 E CA 0.432 56.697 56.400 -0.225 0.000 0.736 199 E CB -1.855 27.598 29.700 -0.412 0.000 1.298 199 E HN 0.089 nan 8.360 nan 0.000 0.400 200 V N 1.268 121.239 119.914 0.095 0.000 2.427 200 V HA 0.169 4.290 4.120 0.001 0.000 0.286 200 V C 0.468 176.686 176.094 0.205 0.000 1.034 200 V CA -0.682 61.747 62.300 0.216 0.000 0.893 200 V CB 1.808 33.801 31.823 0.282 0.000 0.982 200 V HN -0.028 nan 8.190 nan 0.000 0.452 201 D N 3.807 124.342 120.400 0.226 0.000 2.346 201 D HA 0.137 4.778 4.640 0.001 0.000 0.260 201 D C -0.315 176.131 176.300 0.242 0.000 1.252 201 D CA 0.186 54.310 54.000 0.206 0.000 0.895 201 D CB 0.598 41.507 40.800 0.181 0.000 1.097 201 D HN 0.433 nan 8.370 nan 0.000 0.489 202 F N 3.305 123.320 119.950 0.109 0.000 2.466 202 F HA 0.151 4.679 4.527 0.001 0.000 0.363 202 F C -0.204 175.593 175.800 -0.006 0.000 1.109 202 F CA -0.516 57.567 58.000 0.137 0.000 1.161 202 F CB 0.473 39.532 39.000 0.099 0.000 1.117 202 F HN 0.006 nan 8.300 nan 0.000 0.539 203 V N 7.317 127.141 119.914 -0.150 0.000 2.333 203 V HA 0.015 4.136 4.120 0.001 0.000 0.274 203 V C -0.619 175.332 176.094 -0.238 0.000 1.028 203 V CA -0.742 61.450 62.300 -0.181 0.000 0.851 203 V CB 0.471 32.170 31.823 -0.206 0.000 1.000 203 V HN 0.771 nan 8.190 nan 0.000 0.456 204 W N 5.473 126.603 121.300 -0.283 0.000 2.331 204 W HA 0.646 5.307 4.660 0.002 0.000 0.306 204 W C 0.306 176.738 176.519 -0.144 0.000 1.162 204 W CA -0.342 56.919 57.345 -0.141 0.000 1.232 204 W CB 0.862 30.306 29.460 -0.026 0.000 1.235 204 W HN 0.669 nan 8.180 nan 0.000 0.479 205 A N 7.253 129.568 122.820 -0.842 0.000 2.304 205 A HA 0.695 5.016 4.320 0.001 0.000 0.301 205 A C -1.252 175.677 177.584 -1.091 0.000 1.132 205 A CA -0.708 50.777 52.037 -0.921 0.000 0.819 205 A CB 0.863 19.065 19.000 -1.331 0.000 1.094 205 A HN 0.758 nan 8.150 nan 0.000 0.492 206 I N 0.650 120.807 120.570 -0.687 0.000 2.646 206 I HA 0.379 4.550 4.170 0.001 0.000 0.299 206 I C -0.522 175.191 176.117 -0.673 0.000 1.036 206 I CA -0.513 60.424 61.300 -0.604 0.000 1.074 206 I CB 1.699 39.641 38.000 -0.097 0.000 1.258 206 I HN 0.823 nan 8.210 nan 0.000 0.430 207 H N 7.761 126.278 119.070 -0.922 0.000 2.379 207 H HA 0.386 4.943 4.556 0.001 0.000 0.229 207 H C -2.380 172.499 175.328 -0.749 0.000 1.423 207 H CA -1.586 54.005 56.048 -0.762 0.000 1.375 207 H CB 1.184 30.485 29.762 -0.767 0.000 1.592 207 H HN 0.405 nan 8.280 nan 0.000 0.507 208 P HA 0.121 nan 4.420 nan 0.000 0.261 208 P C 1.387 178.131 177.300 -0.927 0.000 1.268 208 P CA 0.421 62.496 63.100 -1.708 0.000 0.833 208 P CB 0.358 30.742 31.700 -2.193 0.000 1.231 209 G N 0.882 109.259 108.800 -0.706 0.000 2.448 209 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 209 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 209 G C 1.642 176.448 174.900 -0.157 0.000 1.135 209 G CA 0.397 45.320 45.100 -0.295 0.000 0.784 209 G HN 0.234 nan 8.290 nan 0.000 0.543 210 Q N 1.300 121.016 119.800 -0.141 0.000 2.170 210 Q HA -0.092 4.249 4.340 0.001 0.000 0.203 210 Q C 1.508 177.507 176.000 -0.002 0.000 0.976 210 Q CA 1.901 57.691 55.803 -0.021 0.000 0.858 210 Q CB -0.014 28.746 28.738 0.037 0.000 0.907 210 Q HN 0.613 nan 8.270 nan 0.000 0.433 211 D N -2.018 118.396 120.400 0.023 0.000 2.539 211 D HA 0.025 4.666 4.640 0.001 0.000 0.232 211 D C 0.202 176.515 176.300 0.021 0.000 1.256 211 D CA -0.423 53.599 54.000 0.037 0.000 0.810 211 D CB -0.676 40.172 40.800 0.081 0.000 1.090 211 D HN 0.334 nan 8.370 nan 0.000 0.519 212 I N 1.022 121.552 120.570 -0.067 0.000 2.775 212 I HA -0.051 4.120 4.170 0.001 0.000 0.290 212 I C -0.196 175.683 176.117 -0.396 0.000 1.203 212 I CA 0.364 61.543 61.300 -0.202 0.000 1.433 212 I CB 0.413 38.099 38.000 -0.525 0.000 1.354 212 I HN -0.238 nan 8.210 nan 0.000 0.579 213 K N 6.261 126.490 120.400 -0.285 0.000 2.159 213 K HA 0.240 4.561 4.320 0.001 0.000 0.266 213 K C -1.224 175.205 176.600 -0.284 0.000 0.975 213 K CA -0.117 56.008 56.287 -0.269 0.000 0.865 213 K CB 0.918 33.365 32.500 -0.089 0.000 1.087 213 K HN 0.470 nan 8.250 nan 0.000 0.446 214 W N 4.330 125.636 121.300 0.010 0.000 1.564 214 W HA 0.080 4.741 4.660 0.001 0.000 0.448 214 W C 0.156 176.657 176.519 -0.030 0.000 0.601 214 W CA -0.569 56.766 57.345 -0.017 0.000 2.326 214 W CB -0.413 29.030 29.460 -0.027 0.000 1.355 214 W HN 0.539 nan 8.180 nan 0.000 0.382 215 N N -0.787 117.988 118.700 0.126 0.000 2.629 215 N HA 0.236 4.977 4.740 0.001 0.000 0.279 215 N C 0.831 176.350 175.510 0.015 0.000 1.344 215 N CA -1.069 52.018 53.050 0.060 0.000 0.789 215 N CB 0.804 39.311 38.487 0.034 0.000 1.508 215 N HN -0.001 nan 8.380 nan 0.000 0.516 216 K N -0.124 120.271 120.400 -0.008 0.000 2.097 216 K HA -0.200 4.120 4.320 0.001 0.000 0.206 216 K C 1.268 177.855 176.600 -0.021 0.000 1.049 216 K CA 1.552 57.819 56.287 -0.033 0.000 0.933 216 K CB -0.098 32.390 32.500 -0.021 0.000 0.717 216 K HN 0.710 nan 8.250 nan 0.000 0.442 217 E N 0.355 120.549 120.200 -0.009 0.000 2.058 217 E HA -0.225 4.126 4.350 0.001 0.000 0.194 217 E C 1.430 178.030 176.600 0.000 0.000 0.997 217 E CA 1.831 58.225 56.400 -0.009 0.000 0.801 217 E CB 0.000 29.690 29.700 -0.017 0.000 0.746 217 E HN 0.322 nan 8.360 nan 0.000 0.450 218 D N -0.226 120.185 120.400 0.017 0.000 2.123 218 D HA -0.117 4.524 4.640 0.001 0.000 0.200 218 D C 1.970 178.328 176.300 0.097 0.000 0.976 218 D CA 0.644 54.696 54.000 0.087 0.000 0.831 218 D CB -0.236 40.625 40.800 0.101 0.000 0.974 218 D HN 0.108 nan 8.370 nan 0.000 0.469 219 R N 0.711 121.222 120.500 0.018 0.000 2.112 219 R HA -0.184 4.157 4.340 0.001 0.000 0.242 219 R C 1.357 177.648 176.300 -0.015 0.000 1.137 219 R CA 1.942 58.013 56.100 -0.047 0.000 0.944 219 R CB -0.097 30.091 30.300 -0.186 0.000 0.857 219 R HN 0.072 nan 8.270 nan 0.000 0.435 220 D N 0.297 120.696 120.400 -0.002 0.000 2.123 220 D HA -0.157 4.484 4.640 0.001 0.000 0.196 220 D C 1.885 178.205 176.300 0.034 0.000 0.992 220 D CA 0.885 54.904 54.000 0.032 0.000 0.833 220 D CB -0.182 40.633 40.800 0.025 0.000 0.954 220 D HN 0.155 nan 8.370 nan 0.000 0.455 221 L N 0.559 121.804 121.223 0.036 0.000 2.093 221 L HA -0.057 4.284 4.340 0.001 0.000 0.208 221 L C 2.396 179.330 176.870 0.106 0.000 1.085 221 L CA 0.973 55.836 54.840 0.038 0.000 0.755 221 L CB -1.007 41.035 42.059 -0.029 0.000 0.904 221 L HN 0.091 nan 8.230 nan 0.000 0.435 222 L N -1.507 119.810 121.223 0.157 0.000 1.994 222 L HA -0.238 4.103 4.340 0.001 0.000 0.208 222 L C 2.355 179.108 176.870 -0.196 0.000 1.071 222 L CA 1.163 56.023 54.840 0.034 0.000 0.745 222 L CB -0.194 41.776 42.059 -0.148 0.000 0.892 222 L HN 0.163 nan 8.230 nan 0.000 0.431 223 L N -0.144 120.983 121.223 -0.160 0.000 2.079 223 L HA -0.200 4.141 4.340 0.001 0.000 0.210 223 L C 2.882 179.706 176.870 -0.077 0.000 1.081 223 L CA 1.969 56.699 54.840 -0.184 0.000 0.752 223 L CB -1.894 40.151 42.059 -0.023 0.000 0.896 223 L HN 0.409 nan 8.230 nan 0.000 0.433 224 A N -0.159 122.665 122.820 0.006 0.000 1.940 224 A HA -0.262 4.058 4.320 0.001 0.000 0.219 224 A C 2.373 180.003 177.584 0.077 0.000 1.176 224 A CA 2.011 54.075 52.037 0.045 0.000 0.631 224 A CB -0.382 18.642 19.000 0.040 0.000 0.814 224 A HN 0.282 nan 8.150 nan 0.000 0.446 225 K N -0.759 119.705 120.400 0.106 0.000 2.026 225 K HA -0.083 4.238 4.320 0.001 0.000 0.208 225 K C 1.526 178.293 176.600 0.278 0.000 1.048 225 K CA 1.444 57.843 56.287 0.186 0.000 0.929 225 K CB -0.675 32.005 32.500 0.300 0.000 0.713 225 K HN 0.289 nan 8.250 nan 0.000 0.439 226 F N 1.584 121.514 119.950 -0.033 0.000 2.120 226 F HA -0.140 4.388 4.527 0.001 0.000 0.300 226 F C 2.343 178.112 175.800 -0.050 0.000 1.095 226 F CA 1.724 59.609 58.000 -0.193 0.000 1.249 226 F CB -1.138 37.300 39.000 -0.936 0.000 0.995 226 F HN 0.277 nan 8.300 nan 0.000 0.480 227 E N 0.587 120.875 120.200 0.147 0.000 2.077 227 E HA -0.187 4.164 4.350 0.001 0.000 0.193 227 E C 2.058 178.822 176.600 0.274 0.000 0.989 227 E CA 1.439 58.018 56.400 0.297 0.000 0.800 227 E CB -0.107 29.714 29.700 0.201 0.000 0.746 227 E HN -0.009 nan 8.360 nan 0.000 0.452 228 K N -0.203 120.299 120.400 0.170 0.000 2.057 228 K HA -0.084 4.237 4.320 0.001 0.000 0.207 228 K C 1.965 178.607 176.600 0.069 0.000 1.049 228 K CA 1.264 57.611 56.287 0.100 0.000 0.931 228 K CB -0.344 32.185 32.500 0.049 0.000 0.714 228 K HN 0.305 nan 8.250 nan 0.000 0.440 229 M N -0.495 119.146 119.600 0.068 0.000 2.175 229 M HA -0.136 4.345 4.480 0.001 0.000 0.264 229 M C 2.175 178.560 176.300 0.141 0.000 1.063 229 M CA 1.252 56.528 55.300 -0.039 0.000 1.119 229 M CB -1.183 31.347 32.600 -0.117 0.000 1.377 229 M HN 0.101 nan 8.290 nan 0.000 0.415 230 Y N 1.560 122.039 120.300 0.297 0.000 2.181 230 Y HA -0.265 4.286 4.550 0.001 0.000 0.288 230 Y C 2.366 178.330 175.900 0.107 0.000 1.146 230 Y CA 1.909 60.192 58.100 0.305 0.000 1.164 230 Y CB -0.195 38.509 38.460 0.406 0.000 0.982 230 Y HN 0.340 nan 8.280 nan 0.000 0.515 231 Q N -0.151 119.782 119.800 0.223 0.000 2.226 231 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 231 Q C 1.865 177.834 176.000 -0.053 0.000 0.975 231 Q CA 1.434 57.288 55.803 0.085 0.000 0.866 231 Q CB -0.146 28.649 28.738 0.094 0.000 0.915 231 Q HN 0.524 nan 8.270 nan 0.000 0.440 232 L N -0.967 120.195 121.223 -0.102 0.000 2.610 232 L HA 0.097 4.437 4.340 0.001 0.000 0.232 232 L C 1.145 177.868 176.870 -0.245 0.000 1.149 232 L CA 0.535 55.262 54.840 -0.189 0.000 0.872 232 L CB -0.108 41.793 42.059 -0.262 0.000 0.992 232 L HN 0.456 nan 8.230 nan 0.000 0.447 233 G N -0.536 108.110 108.800 -0.255 0.000 2.179 233 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 233 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 233 G C 0.263 174.977 174.900 -0.311 0.000 0.990 233 G CA -0.130 44.792 45.100 -0.296 0.000 0.646 233 G HN 0.059 nan 8.290 nan 0.000 0.517 234 V N 1.739 121.479 119.914 -0.289 0.000 2.585 234 V HA 0.379 4.500 4.120 0.001 0.000 0.296 234 V C 1.385 177.378 176.094 -0.168 0.000 1.035 234 V CA 0.295 62.431 62.300 -0.273 0.000 1.084 234 V CB 1.337 32.941 31.823 -0.367 0.000 0.953 234 V HN 0.328 nan 8.190 nan 0.000 0.483 235 R N 1.892 122.318 120.500 -0.123 0.000 2.509 235 R HA 0.329 4.670 4.340 0.001 0.000 0.297 235 R C -0.069 176.304 176.300 0.122 0.000 0.951 235 R CA -0.002 56.144 56.100 0.077 0.000 1.103 235 R CB 1.004 31.331 30.300 0.045 0.000 1.283 235 R HN 0.627 nan 8.270 nan 0.000 0.534 236 S N 0.183 115.800 115.700 -0.137 0.000 2.548 236 S HA 0.728 5.199 4.470 0.001 0.000 0.286 236 S C -1.173 173.169 174.600 -0.429 0.000 1.098 236 S CA -0.416 57.746 58.200 -0.063 0.000 0.930 236 S CB 1.842 65.034 63.200 -0.013 0.000 1.070 236 S HN 0.020 nan 8.310 nan 0.000 0.480 237 F N 0.737 120.684 119.950 -0.005 0.000 2.601 237 F HA 0.772 5.300 4.527 0.001 0.000 0.309 237 F C 0.021 175.778 175.800 -0.071 0.000 1.089 237 F CA -0.630 57.287 58.000 -0.138 0.000 0.940 237 F CB 1.911 40.685 39.000 -0.376 0.000 1.273 237 F HN 0.706 nan 8.300 nan 0.000 0.450 238 A N 1.357 124.218 122.820 0.067 0.000 2.498 238 A HA 0.907 5.228 4.320 0.001 0.000 0.298 238 A C -1.917 175.699 177.584 0.055 0.000 1.075 238 A CA -0.782 51.266 52.037 0.019 0.000 0.714 238 A CB 1.727 20.604 19.000 -0.204 0.000 1.299 238 A HN 0.514 nan 8.150 nan 0.000 0.407 239 V N 1.950 121.934 119.914 0.116 0.000 2.444 239 V HA 0.529 4.650 4.120 0.001 0.000 0.294 239 V C -1.323 174.805 176.094 0.056 0.000 1.022 239 V CA -0.479 61.798 62.300 -0.039 0.000 0.850 239 V CB 1.154 32.974 31.823 -0.005 0.000 0.992 239 V HN 0.681 nan 8.190 nan 0.000 0.426 240 F N 4.298 124.031 119.950 -0.363 0.000 2.427 240 F HA 0.609 5.137 4.527 0.002 0.000 0.346 240 F C 0.171 175.646 175.800 -0.541 0.000 1.120 240 F CA -1.662 56.199 58.000 -0.232 0.000 1.033 240 F CB 1.476 40.490 39.000 0.023 0.000 1.126 240 F HN 0.409 nan 8.300 nan 0.000 0.462 241 F N 0.950 120.987 119.950 0.145 0.000 2.791 241 F HA 0.154 4.682 4.527 0.002 0.000 0.308 241 F C 0.290 176.138 175.800 0.079 0.000 1.138 241 F CA -0.928 57.100 58.000 0.046 0.000 1.294 241 F CB -0.062 39.011 39.000 0.122 0.000 0.975 241 F HN 0.235 nan 8.300 nan 0.000 0.512 242 D N -1.036 119.467 120.400 0.171 0.000 2.255 242 D HA 0.130 4.771 4.640 0.001 0.000 0.249 242 D C -0.035 176.451 176.300 0.309 0.000 1.078 242 D CA -0.234 53.856 54.000 0.151 0.000 0.896 242 D CB 1.020 41.578 40.800 -0.403 0.000 1.194 242 D HN -0.004 nan 8.370 nan 0.000 0.429 243 D N -0.082 120.560 120.400 0.403 0.000 2.718 243 D HA -0.137 4.503 4.640 0.001 0.000 0.242 243 D C -0.277 176.192 176.300 0.282 0.000 1.123 243 D CA 0.680 54.909 54.000 0.383 0.000 0.690 243 D CB -1.515 39.520 40.800 0.392 0.000 1.059 243 D HN 0.662 nan 8.370 nan 0.000 0.429 244 I N -3.514 117.178 120.570 0.203 0.000 3.095 244 I HA 0.781 4.952 4.170 0.001 0.000 0.310 244 I C -0.149 176.019 176.117 0.086 0.000 1.196 244 I CA -0.917 60.460 61.300 0.129 0.000 0.985 244 I CB 2.594 40.639 38.000 0.076 0.000 1.250 244 I HN -0.012 nan 8.210 nan 0.000 0.446 245 S N 1.820 117.555 115.700 0.058 0.000 2.599 245 S HA 1.017 5.488 4.470 0.001 0.000 0.287 245 S C -0.055 174.570 174.600 0.042 0.000 1.105 245 S CA -0.074 58.147 58.200 0.035 0.000 0.899 245 S CB 1.432 64.637 63.200 0.009 0.000 1.100 245 S HN 2.382 nan 8.310 nan 0.000 0.482 246 G N 1.622 110.448 108.800 0.043 0.000 2.482 246 G HA2 -0.136 3.825 3.960 0.001 0.000 0.214 246 G HA3 -0.136 3.825 3.960 0.001 0.000 0.214 246 G C 0.195 175.151 174.900 0.094 0.000 1.271 246 G CA 0.096 45.227 45.100 0.051 0.000 0.944 246 G HN 0.692 nan 8.290 nan 0.000 0.568 247 E N 0.783 121.046 120.200 0.106 0.000 2.268 247 E HA -0.050 4.301 4.350 0.001 0.000 0.195 247 E C 2.514 179.346 176.600 0.388 0.000 0.995 247 E CA 1.336 57.870 56.400 0.223 0.000 0.836 247 E CB -0.638 29.186 29.700 0.205 0.000 0.763 247 E HN 0.919 nan 8.360 nan 0.000 0.491 248 G N 1.649 110.563 108.800 0.191 0.000 2.625 248 G HA2 -0.198 3.762 3.960 0.001 0.000 0.214 248 G HA3 -0.198 3.762 3.960 0.001 0.000 0.214 248 G C 1.548 176.667 174.900 0.364 0.000 1.132 248 G CA 1.306 46.557 45.100 0.252 0.000 0.782 248 G HN 0.378 nan 8.290 nan 0.000 0.538 249 T N -2.243 112.470 114.554 0.265 0.000 3.107 249 T HA 0.114 4.465 4.350 0.001 0.000 0.249 249 T C 0.949 175.770 174.700 0.202 0.000 1.096 249 T CA -0.452 61.772 62.100 0.207 0.000 1.012 249 T CB -0.028 68.923 68.868 0.138 0.000 0.977 249 T HN 0.115 nan 8.240 nan 0.000 0.527 250 N N 3.604 122.391 118.700 0.146 0.000 2.427 250 N HA 0.084 4.824 4.740 0.001 0.000 0.269 250 N C -1.436 173.941 175.510 -0.222 0.000 1.235 250 N CA -1.757 51.272 53.050 -0.036 0.000 0.934 250 N CB 1.604 40.009 38.487 -0.136 0.000 1.121 250 N HN 0.146 nan 8.380 nan 0.000 0.480 251 P HA -0.128 nan 4.420 nan 0.000 0.222 251 P C 1.052 178.100 177.300 -0.420 0.000 1.153 251 P CA 0.853 63.669 63.100 -0.473 0.000 0.798 251 P CB 0.512 31.687 31.700 -0.874 0.000 0.796 252 Q N 1.145 120.731 119.800 -0.358 0.000 2.061 252 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 252 Q C 2.193 177.935 176.000 -0.430 0.000 0.984 252 Q CA 2.036 57.642 55.803 -0.328 0.000 0.846 252 Q CB -0.632 27.946 28.738 -0.266 0.000 0.902 252 Q HN -0.016 nan 8.270 nan 0.000 0.421 253 K N 0.126 120.131 120.400 -0.659 0.000 2.097 253 K HA -0.115 4.206 4.320 0.001 0.000 0.205 253 K C 2.182 178.219 176.600 -0.939 0.000 1.050 253 K CA 1.499 57.141 56.287 -1.076 0.000 0.938 253 K CB -0.195 30.974 32.500 -2.219 0.000 0.718 253 K HN 0.477 nan 8.250 nan 0.000 0.442 254 Q N 0.220 119.572 119.800 -0.747 0.000 2.050 254 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 254 Q C 2.167 178.020 176.000 -0.244 0.000 0.980 254 Q CA 1.683 57.172 55.803 -0.524 0.000 0.840 254 Q CB -0.247 28.029 28.738 -0.770 0.000 0.898 254 Q HN 0.328 nan 8.270 nan 0.000 0.424 255 A N 1.215 123.884 122.820 -0.252 0.000 1.898 255 A HA -0.229 4.092 4.320 0.001 0.000 0.216 255 A C 1.840 179.378 177.584 -0.077 0.000 1.181 255 A CA 1.496 53.454 52.037 -0.131 0.000 0.620 255 A CB -0.416 18.491 19.000 -0.155 0.000 0.819 255 A HN 0.335 nan 8.150 nan 0.000 0.442 256 E N -0.719 119.401 120.200 -0.134 0.000 2.085 256 E HA -0.209 4.142 4.350 0.001 0.000 0.194 256 E C 1.943 178.558 176.600 0.025 0.000 0.994 256 E CA 1.293 57.650 56.400 -0.071 0.000 0.801 256 E CB -0.279 29.338 29.700 -0.138 0.000 0.743 256 E HN 0.515 nan 8.360 nan 0.000 0.453 257 L N 0.893 122.129 121.223 0.022 0.000 2.046 257 L HA -0.177 4.164 4.340 0.001 0.000 0.208 257 L C 2.036 179.029 176.870 0.204 0.000 1.077 257 L CA 1.498 56.430 54.840 0.153 0.000 0.747 257 L CB -0.307 41.916 42.059 0.274 0.000 0.896 257 L HN 0.150 nan 8.230 nan 0.000 0.432 258 L N -0.206 121.122 121.223 0.174 0.000 2.056 258 L HA -0.178 4.163 4.340 0.001 0.000 0.207 258 L C 2.328 179.297 176.870 0.166 0.000 1.078 258 L CA 1.473 56.428 54.840 0.191 0.000 0.749 258 L CB -1.568 40.601 42.059 0.184 0.000 0.901 258 L HN 0.414 nan 8.230 nan 0.000 0.433 259 N N -0.691 118.086 118.700 0.128 0.000 2.166 259 N HA -0.248 4.493 4.740 0.001 0.000 0.186 259 N C 1.759 177.346 175.510 0.129 0.000 1.019 259 N CA 1.096 54.210 53.050 0.107 0.000 0.856 259 N CB -0.520 38.009 38.487 0.069 0.000 0.993 259 N HN 0.363 nan 8.380 nan 0.000 0.426 260 Y N 1.367 121.697 120.300 0.049 0.000 2.145 260 Y HA -0.074 4.477 4.550 0.001 0.000 0.286 260 Y C 2.122 178.067 175.900 0.075 0.000 1.145 260 Y CA 1.328 59.458 58.100 0.051 0.000 1.148 260 Y CB -0.302 38.182 38.460 0.041 0.000 0.981 260 Y HN -0.045 nan 8.280 nan 0.000 0.507 261 I N 0.188 120.888 120.570 0.216 0.000 2.163 261 I HA -0.319 3.852 4.170 0.001 0.000 0.243 261 I C 2.249 178.459 176.117 0.155 0.000 1.085 261 I CA 1.817 63.216 61.300 0.165 0.000 1.347 261 I CB -0.535 37.591 38.000 0.211 0.000 1.044 261 I HN 0.258 nan 8.210 nan 0.000 0.408 262 D N 0.985 121.468 120.400 0.138 0.000 2.092 262 D HA -0.226 4.415 4.640 0.001 0.000 0.193 262 D C 2.086 178.409 176.300 0.039 0.000 0.994 262 D CA 1.727 55.794 54.000 0.111 0.000 0.828 262 D CB 0.017 40.876 40.800 0.098 0.000 0.963 262 D HN 0.342 nan 8.370 nan 0.000 0.450 263 E N -0.874 119.313 120.200 -0.022 0.000 2.107 263 E HA -0.055 4.296 4.350 0.001 0.000 0.191 263 E C 1.809 178.335 176.600 -0.124 0.000 0.982 263 E CA 0.710 57.069 56.400 -0.068 0.000 0.809 263 E CB 0.223 29.882 29.700 -0.069 0.000 0.756 263 E HN 0.129 nan 8.360 nan 0.000 0.459 264 K N -0.864 119.403 120.400 -0.223 0.000 2.361 264 K HA 0.080 4.400 4.320 0.001 0.000 0.194 264 K C 0.887 177.468 176.600 -0.032 0.000 1.032 264 K CA 0.306 56.457 56.287 -0.226 0.000 1.048 264 K CB 0.561 32.736 32.500 -0.542 0.000 0.842 264 K HN 0.106 nan 8.250 nan 0.000 0.526 265 F N 0.136 119.995 119.950 -0.152 0.000 2.102 265 F HA 0.252 4.780 4.527 0.001 0.000 0.254 265 F C 1.825 177.568 175.800 -0.095 0.000 0.975 265 F CA 0.519 58.446 58.000 -0.123 0.000 1.176 265 F CB -0.310 38.638 39.000 -0.087 0.000 1.358 265 F HN -0.160 nan 8.300 nan 0.000 0.728 266 A N -0.077 122.767 122.820 0.040 0.000 2.067 266 A HA -0.081 4.240 4.320 0.001 0.000 0.219 266 A C 1.554 179.108 177.584 -0.051 0.000 1.158 266 A CA 1.391 53.415 52.037 -0.022 0.000 0.661 266 A CB -0.467 18.621 19.000 0.147 0.000 0.801 266 A HN 0.533 nan 8.150 nan 0.000 0.452 267 Q N -0.962 118.812 119.800 -0.044 0.000 2.247 267 Q HA 0.229 4.570 4.340 0.001 0.000 0.204 267 Q C 1.289 177.244 176.000 -0.074 0.000 0.872 267 Q CA 0.362 56.140 55.803 -0.041 0.000 0.951 267 Q CB 0.579 29.306 28.738 -0.019 0.000 1.099 267 Q HN 0.477 nan 8.270 nan 0.000 0.501 268 V N -0.335 119.499 119.914 -0.132 0.000 3.151 268 V HA 0.068 4.189 4.120 0.001 0.000 0.241 268 V C 0.598 176.570 176.094 -0.202 0.000 1.173 268 V CA 0.447 62.659 62.300 -0.147 0.000 1.154 268 V CB 0.434 32.173 31.823 -0.140 0.000 0.898 268 V HN 0.045 nan 8.190 nan 0.000 0.473 269 K N 1.932 122.136 120.400 -0.327 0.000 2.295 269 K HA 0.226 4.546 4.320 0.001 0.000 0.270 269 K C -1.574 174.950 176.600 -0.126 0.000 1.011 269 K CA -1.844 54.241 56.287 -0.336 0.000 0.953 269 K CB 0.413 32.556 32.500 -0.596 0.000 0.956 269 K HN 0.081 nan 8.250 nan 0.000 0.477 270 P HA -0.036 nan 4.420 nan 0.000 0.236 270 P C -0.355 176.970 177.300 0.043 0.000 1.177 270 P CA 0.863 63.969 63.100 0.010 0.000 0.773 270 P CB 0.370 32.088 31.700 0.029 0.000 0.878 271 D N -1.426 119.025 120.400 0.085 0.000 2.785 271 D HA 0.157 4.797 4.640 0.001 0.000 0.324 271 D C -0.003 176.379 176.300 0.137 0.000 1.523 271 D CA -0.485 53.577 54.000 0.103 0.000 0.789 271 D CB -0.980 39.879 40.800 0.098 0.000 1.171 271 D HN 0.115 nan 8.370 nan 0.000 0.447 272 I N 1.136 121.784 120.570 0.130 0.000 2.441 272 I HA 0.149 4.320 4.170 0.001 0.000 0.287 272 I C 1.013 177.228 176.117 0.163 0.000 1.049 272 I CA -0.306 61.103 61.300 0.182 0.000 1.381 272 I CB 0.917 39.018 38.000 0.167 0.000 1.409 272 I HN -0.060 nan 8.210 nan 0.000 0.523 273 N N 4.429 123.236 118.700 0.179 0.000 2.433 273 N HA 0.074 4.815 4.740 0.001 0.000 0.213 273 N C -0.087 175.519 175.510 0.160 0.000 1.032 273 N CA 0.426 53.574 53.050 0.165 0.000 1.047 273 N CB 0.044 38.627 38.487 0.159 0.000 1.293 273 N HN 0.578 nan 8.380 nan 0.000 0.524 274 Q N 0.612 120.482 119.800 0.117 0.000 2.230 274 Q HA 0.503 4.844 4.340 0.001 0.000 0.253 274 Q C -1.103 174.961 176.000 0.107 0.000 0.919 274 Q CA -0.470 55.355 55.803 0.036 0.000 0.908 274 Q CB 2.294 30.951 28.738 -0.136 0.000 1.245 274 Q HN 0.131 nan 8.270 nan 0.000 0.437 275 L N 2.777 124.060 121.223 0.101 0.000 2.406 275 L HA 0.552 4.893 4.340 0.001 0.000 0.272 275 L C -1.670 175.254 176.870 0.089 0.000 0.980 275 L CA -0.584 54.350 54.840 0.156 0.000 0.831 275 L CB 1.975 44.159 42.059 0.209 0.000 1.253 275 L HN 0.429 nan 8.230 nan 0.000 0.406 276 V N 5.606 125.565 119.914 0.075 0.000 2.789 276 V HA 0.691 4.812 4.120 0.001 0.000 0.311 276 V C -0.271 175.908 176.094 0.143 0.000 1.073 276 V CA -0.535 61.770 62.300 0.008 0.000 0.921 276 V CB 1.944 33.661 31.823 -0.178 0.000 1.009 276 V HN 0.898 nan 8.190 nan 0.000 0.426 277 M N 4.148 123.852 119.600 0.174 0.000 2.591 277 M HA 0.869 5.350 4.480 0.001 0.000 0.306 277 M C -0.580 175.887 176.300 0.278 0.000 1.190 277 M CA -0.448 55.030 55.300 0.297 0.000 0.889 277 M CB 1.621 34.417 32.600 0.326 0.000 1.728 277 M HN 0.691 nan 8.290 nan 0.000 0.458 278 C N 1.339 120.826 119.300 0.313 0.000 2.382 278 C HA 1.009 5.470 4.460 0.001 0.000 0.327 278 C C -2.451 172.687 174.990 0.246 0.000 1.250 278 C CA -1.543 57.539 59.018 0.106 0.000 1.707 278 C CB 1.685 29.210 27.740 -0.358 0.000 2.272 278 C HN 0.845 nan 8.230 nan 0.000 0.506 279 P HA 0.335 nan 4.420 nan 0.000 0.279 279 P C 0.471 177.992 177.300 0.368 0.000 1.276 279 P CA 0.042 63.390 63.100 0.414 0.000 0.801 279 P CB 0.885 32.894 31.700 0.516 0.000 1.127 280 T N -1.176 113.573 114.554 0.325 0.000 2.896 280 T HA -0.019 4.331 4.350 0.001 0.000 0.263 280 T C 0.418 175.103 174.700 -0.026 0.000 1.050 280 T CA 1.193 63.389 62.100 0.161 0.000 1.140 280 T CB -0.259 68.636 68.868 0.046 0.000 0.877 280 T HN 0.470 nan 8.240 nan 0.000 0.457 281 E N 1.587 121.598 120.200 -0.314 0.000 1.993 281 E HA 0.177 4.528 4.350 0.001 0.000 0.271 281 E C -0.553 176.118 176.600 0.119 0.000 1.008 281 E CA -0.332 55.959 56.400 -0.182 0.000 0.814 281 E CB 0.412 29.919 29.700 -0.322 0.000 1.098 281 E HN 0.649 nan 8.360 nan 0.000 0.407 282 Y N 1.671 121.918 120.300 -0.087 0.000 2.612 282 Y HA 0.308 4.859 4.550 0.002 0.000 0.250 282 Y C -0.387 174.868 175.900 -1.076 0.000 1.175 282 Y CA -1.133 56.786 58.100 -0.300 0.000 1.205 282 Y CB -0.183 38.033 38.460 -0.407 0.000 1.201 282 Y HN 0.299 nan 8.280 nan 0.000 0.532 283 N N -1.709 116.313 118.700 -1.130 0.000 2.710 283 N HA 0.167 4.908 4.740 0.001 0.000 0.257 283 N C -0.014 175.118 175.510 -0.631 0.000 1.327 283 N CA -1.083 51.108 53.050 -1.432 0.000 0.861 283 N CB 1.452 39.351 38.487 -0.981 0.000 1.532 283 N HN -0.023 nan 8.380 nan 0.000 0.499 284 K N 0.079 120.289 120.400 -0.317 0.000 2.103 284 K HA -0.168 4.153 4.320 0.001 0.000 0.207 284 K C 1.375 177.881 176.600 -0.156 0.000 1.048 284 K CA 2.087 58.278 56.287 -0.160 0.000 0.930 284 K CB -0.244 31.966 32.500 -0.483 0.000 0.716 284 K HN 0.689 nan 8.250 nan 0.000 0.444 285 S N -0.807 114.801 115.700 -0.153 0.000 2.423 285 S HA -0.125 4.346 4.470 0.001 0.000 0.231 285 S C 1.418 176.085 174.600 0.112 0.000 1.014 285 S CA 0.501 58.681 58.200 -0.032 0.000 0.965 285 S CB -0.390 62.803 63.200 -0.013 0.000 0.785 285 S HN 0.431 nan 8.310 nan 0.000 0.495 286 W N 2.544 123.694 121.300 -0.250 0.000 3.139 286 W HA 0.492 5.153 4.660 0.002 0.000 0.260 286 W C 0.395 176.808 176.519 -0.176 0.000 1.312 286 W CA -1.194 55.992 57.345 -0.264 0.000 1.606 286 W CB -0.792 28.390 29.460 -0.463 0.000 1.118 286 W HN 0.128 nan 8.180 nan 0.000 0.675 287 S N 1.726 117.514 115.700 0.147 0.000 2.448 287 S HA 0.026 4.497 4.470 0.001 0.000 0.279 287 S C 0.119 174.813 174.600 0.155 0.000 1.195 287 S CA -0.511 57.814 58.200 0.208 0.000 1.051 287 S CB 0.150 63.626 63.200 0.461 0.000 0.948 287 S HN 0.022 nan 8.310 nan 0.000 0.493 288 N N 4.783 123.545 118.700 0.104 0.000 2.440 288 N HA 0.140 4.881 4.740 0.001 0.000 0.265 288 N C -2.574 173.006 175.510 0.117 0.000 1.239 288 N CA -1.430 51.663 53.050 0.071 0.000 0.909 288 N CB 0.316 38.826 38.487 0.038 0.000 1.066 288 N HN 0.217 nan 8.380 nan 0.000 0.474 289 P HA 0.170 nan 4.420 nan 0.000 0.276 289 P C -0.439 176.917 177.300 0.093 0.000 1.235 289 P CA 0.079 63.253 63.100 0.122 0.000 0.772 289 P CB 0.414 32.172 31.700 0.096 0.000 0.871 290 N N -0.412 118.349 118.700 0.102 0.000 2.828 290 N HA -0.126 4.615 4.740 0.001 0.000 0.248 290 N C 0.656 176.202 175.510 0.060 0.000 1.044 290 N CA 1.419 54.510 53.050 0.068 0.000 0.851 290 N CB -1.576 36.941 38.487 0.051 0.000 1.136 290 N HN 0.661 nan 8.380 nan 0.000 0.572 291 G N 0.987 109.836 108.800 0.081 0.000 2.572 291 G HA2 0.295 4.256 3.960 0.001 0.000 0.261 291 G HA3 0.295 4.256 3.960 0.001 0.000 0.261 291 G C 0.908 175.858 174.900 0.084 0.000 1.197 291 G CA 0.213 45.364 45.100 0.084 0.000 0.870 291 G HN 0.395 nan 8.290 nan 0.000 0.548 292 N N -0.933 117.810 118.700 0.071 0.000 2.235 292 N HA -0.027 4.714 4.740 0.001 0.000 0.209 292 N C 1.009 176.538 175.510 0.032 0.000 1.122 292 N CA -0.341 52.727 53.050 0.030 0.000 0.845 292 N CB -0.163 38.318 38.487 -0.009 0.000 1.004 292 N HN 0.602 nan 8.380 nan 0.000 0.499 293 Y N 1.133 121.436 120.300 0.005 0.000 2.070 293 Y HA -0.080 4.470 4.550 0.001 0.000 0.280 293 Y C 1.679 177.582 175.900 0.005 0.000 1.148 293 Y CA 1.821 59.927 58.100 0.009 0.000 1.125 293 Y CB -0.059 38.428 38.460 0.045 0.000 0.975 293 Y HN 0.098 nan 8.280 nan 0.000 0.492 294 L N -0.638 120.710 121.223 0.209 0.000 2.109 294 L HA -0.153 4.188 4.340 0.001 0.000 0.207 294 L C 2.518 179.340 176.870 -0.080 0.000 1.086 294 L CA 1.601 56.499 54.840 0.097 0.000 0.760 294 L CB -0.804 41.327 42.059 0.120 0.000 0.910 294 L HN 0.397 nan 8.230 nan 0.000 0.437 295 T N -4.845 109.656 114.554 -0.089 0.000 2.915 295 T HA -0.136 4.215 4.350 0.001 0.000 0.269 295 T C 1.781 176.406 174.700 -0.125 0.000 1.071 295 T CA 1.466 63.498 62.100 -0.114 0.000 1.132 295 T CB -0.526 68.281 68.868 -0.101 0.000 0.878 295 T HN 0.156 nan 8.240 nan 0.000 0.479 296 T N 2.545 117.005 114.554 -0.157 0.000 2.674 296 T HA 0.095 4.446 4.350 0.001 0.000 0.265 296 T C 1.899 176.477 174.700 -0.202 0.000 1.039 296 T CA 1.228 63.215 62.100 -0.189 0.000 1.150 296 T CB -0.517 68.205 68.868 -0.244 0.000 0.864 296 T HN 0.299 nan 8.240 nan 0.000 0.427 297 L N 0.637 121.707 121.223 -0.255 0.000 1.989 297 L HA -0.072 4.269 4.340 0.001 0.000 0.211 297 L C 3.064 179.870 176.870 -0.107 0.000 1.071 297 L CA 1.620 56.347 54.840 -0.187 0.000 0.749 297 L CB -1.257 40.703 42.059 -0.164 0.000 0.890 297 L HN 0.376 nan 8.230 nan 0.000 0.431 298 G N -0.343 108.396 108.800 -0.102 0.000 2.440 298 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 298 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 298 G C 1.132 175.990 174.900 -0.069 0.000 1.154 298 G CA 1.111 46.163 45.100 -0.080 0.000 0.767 298 G HN 0.324 nan 8.290 nan 0.000 0.552 299 D N 0.004 120.355 120.400 -0.081 0.000 2.183 299 D HA 0.034 4.675 4.640 0.001 0.000 0.205 299 D C 2.491 178.755 176.300 -0.061 0.000 0.962 299 D CA 0.691 54.650 54.000 -0.069 0.000 0.849 299 D CB 0.053 40.809 40.800 -0.075 0.000 0.978 299 D HN 0.236 nan 8.370 nan 0.000 0.488 300 K N -0.017 120.338 120.400 -0.075 0.000 2.242 300 K HA 0.145 4.466 4.320 0.001 0.000 0.200 300 K C 0.985 177.559 176.600 -0.044 0.000 1.050 300 K CA -0.128 56.118 56.287 -0.068 0.000 0.981 300 K CB 0.566 33.007 32.500 -0.098 0.000 0.795 300 K HN 0.152 nan 8.250 nan 0.000 0.477 301 L N 3.459 124.658 121.223 -0.040 0.000 2.455 301 L HA 0.002 4.343 4.340 0.001 0.000 0.272 301 L C 0.019 176.897 176.870 0.013 0.000 1.174 301 L CA -0.204 54.633 54.840 -0.004 0.000 0.869 301 L CB 0.130 42.196 42.059 0.011 0.000 1.130 301 L HN 0.123 nan 8.230 nan 0.000 0.474 302 N N 6.111 124.829 118.700 0.030 0.000 2.356 302 N HA -0.038 4.703 4.740 0.001 0.000 0.252 302 N C -1.441 174.097 175.510 0.047 0.000 1.241 302 N CA -1.024 52.049 53.050 0.038 0.000 0.861 302 N CB 0.360 38.877 38.487 0.050 0.000 1.075 302 N HN 0.373 nan 8.380 nan 0.000 0.461 303 P HA -0.142 nan 4.420 nan 0.000 0.221 303 P C 0.945 178.288 177.300 0.072 0.000 1.145 303 P CA 1.192 64.320 63.100 0.047 0.000 0.795 303 P CB 0.114 31.835 31.700 0.036 0.000 0.775 304 S N -1.129 114.618 115.700 0.079 0.000 2.481 304 S HA -0.021 4.450 4.470 0.001 0.000 0.231 304 S C 1.000 175.673 174.600 0.121 0.000 0.996 304 S CA 0.134 58.396 58.200 0.103 0.000 0.942 304 S CB -1.077 62.181 63.200 0.096 0.000 0.768 304 S HN 0.060 nan 8.310 nan 0.000 0.520 305 I N 2.669 123.305 120.570 0.110 0.000 2.395 305 I HA 0.223 4.394 4.170 0.001 0.000 0.289 305 I C 0.098 176.287 176.117 0.120 0.000 1.023 305 I CA -0.627 60.743 61.300 0.117 0.000 1.350 305 I CB 0.850 38.920 38.000 0.116 0.000 1.409 305 I HN 0.129 nan 8.210 nan 0.000 0.507 306 Q N 6.257 126.125 119.800 0.113 0.000 2.299 306 Q HA 0.520 4.860 4.340 0.001 0.000 0.246 306 Q C -0.574 175.495 176.000 0.114 0.000 0.935 306 Q CA -0.200 55.681 55.803 0.130 0.000 0.887 306 Q CB 2.079 30.856 28.738 0.066 0.000 1.223 306 Q HN 0.519 nan 8.270 nan 0.000 0.439 307 I N 2.570 123.238 120.570 0.163 0.000 2.410 307 I HA 0.311 4.482 4.170 0.001 0.000 0.286 307 I C 0.036 176.302 176.117 0.248 0.000 1.009 307 I CA -0.379 61.029 61.300 0.179 0.000 1.111 307 I CB 1.218 39.309 38.000 0.151 0.000 1.262 307 I HN 0.345 nan 8.210 nan 0.000 0.443 308 M N 5.406 125.150 119.600 0.240 0.000 2.247 308 M HA 0.373 4.854 4.480 0.001 0.000 0.326 308 M C -0.820 175.725 176.300 0.407 0.000 1.134 308 M CA 0.063 55.544 55.300 0.302 0.000 1.136 308 M CB 1.752 34.477 32.600 0.209 0.000 1.454 308 M HN 0.591 nan 8.290 nan 0.000 0.467 309 W N 0.868 122.243 121.300 0.126 0.000 3.571 309 W HA 0.187 4.848 4.660 0.001 0.000 0.294 309 W C -0.513 176.047 176.519 0.068 0.000 1.257 309 W CA -0.579 56.825 57.345 0.098 0.000 1.206 309 W CB 1.705 31.254 29.460 0.148 0.000 1.325 309 W HN 0.780 nan 8.180 nan 0.000 0.546 310 T N 1.048 115.296 114.554 -0.510 0.000 3.069 310 T HA 0.492 4.842 4.350 0.001 0.000 0.252 310 T C 0.741 175.224 174.700 -0.362 0.000 1.053 310 T CA 0.941 62.820 62.100 -0.369 0.000 0.964 310 T CB 0.566 69.164 68.868 -0.450 0.000 1.005 310 T HN 1.350 nan 8.240 nan 0.000 0.532 311 G N 1.369 109.799 108.800 -0.616 0.000 2.416 311 G HA2 -0.148 3.812 3.960 0.001 0.000 0.203 311 G HA3 -0.148 3.812 3.960 0.001 0.000 0.203 311 G C -0.374 174.386 174.900 -0.234 0.000 1.227 311 G CA 0.003 45.011 45.100 -0.153 0.000 1.041 311 G HN 0.166 nan 8.290 nan 0.000 0.546 312 D N 1.129 121.483 120.400 -0.076 0.000 2.317 312 D HA 0.190 4.831 4.640 0.001 0.000 0.211 312 D C 1.482 177.645 176.300 -0.229 0.000 0.966 312 D CA 1.096 55.023 54.000 -0.122 0.000 0.876 312 D CB 0.136 40.898 40.800 -0.065 0.000 0.927 312 D HN 0.487 nan 8.370 nan 0.000 0.519 313 R N -1.547 118.784 120.500 -0.282 0.000 2.817 313 R HA 0.340 4.681 4.340 0.001 0.000 0.268 313 R C 1.036 177.031 176.300 -0.508 0.000 1.027 313 R CA -0.759 55.136 56.100 -0.343 0.000 0.928 313 R CB 1.428 31.610 30.300 -0.197 0.000 1.228 313 R HN -0.305 nan 8.270 nan 0.000 0.469 314 V N 1.092 120.605 119.914 -0.668 0.000 2.250 314 V HA -0.182 3.939 4.120 0.001 0.000 0.250 314 V C 1.051 176.744 176.094 -0.668 0.000 1.060 314 V CA 1.661 63.488 62.300 -0.789 0.000 1.030 314 V CB -0.320 30.894 31.823 -1.015 0.000 0.643 314 V HN 0.471 nan 8.190 nan 0.000 0.445 315 I N 1.094 121.274 120.570 -0.650 0.000 2.354 315 I HA 0.557 4.727 4.170 0.001 0.000 0.286 315 I C -0.158 175.736 176.117 -0.371 0.000 1.007 315 I CA 0.330 61.258 61.300 -0.621 0.000 1.167 315 I CB 0.658 38.216 38.000 -0.736 0.000 1.320 315 I HN 0.422 nan 8.210 nan 0.000 0.458 316 S N 4.544 120.096 115.700 -0.247 0.000 2.567 316 S HA 0.549 5.020 4.470 0.001 0.000 0.270 316 S C -1.513 173.254 174.600 0.277 0.000 1.152 316 S CA -0.989 57.246 58.200 0.059 0.000 0.835 316 S CB 2.669 65.865 63.200 -0.008 0.000 1.115 316 S HN 0.415 nan 8.310 nan 0.000 0.459 317 D N 1.329 121.925 120.400 0.326 0.000 2.229 317 D HA 0.449 5.090 4.640 0.001 0.000 0.249 317 D C -0.088 176.299 176.300 0.145 0.000 1.027 317 D CA -0.414 53.762 54.000 0.293 0.000 0.923 317 D CB 0.919 41.836 40.800 0.196 0.000 1.174 317 D HN 0.507 nan 8.370 nan 0.000 0.443 318 I N 1.703 122.317 120.570 0.074 0.000 2.352 318 I HA 0.124 4.295 4.170 0.001 0.000 0.290 318 I C 1.146 177.323 176.117 0.101 0.000 1.036 318 I CA -0.333 61.043 61.300 0.126 0.000 1.336 318 I CB -0.012 38.100 38.000 0.187 0.000 1.407 318 I HN 0.288 nan 8.210 nan 0.000 0.497 319 T N 2.913 117.541 114.554 0.124 0.000 2.949 319 T HA 0.449 4.800 4.350 0.001 0.000 0.287 319 T C 1.058 175.827 174.700 0.116 0.000 1.034 319 T CA -0.781 61.382 62.100 0.104 0.000 1.018 319 T CB 2.244 71.168 68.868 0.094 0.000 1.135 319 T HN 0.632 nan 8.240 nan 0.000 0.532 320 R N 0.070 120.627 120.500 0.094 0.000 2.075 320 R HA -0.099 4.242 4.340 0.001 0.000 0.232 320 R C 1.264 177.628 176.300 0.107 0.000 1.126 320 R CA 1.746 57.900 56.100 0.091 0.000 0.963 320 R CB -0.478 29.864 30.300 0.069 0.000 0.858 320 R HN 0.699 nan 8.270 nan 0.000 0.435 321 D N -0.495 119.970 120.400 0.108 0.000 2.117 321 D HA -0.084 4.557 4.640 0.001 0.000 0.197 321 D C 1.721 178.131 176.300 0.183 0.000 0.987 321 D CA 1.549 55.625 54.000 0.128 0.000 0.829 321 D CB -0.538 40.325 40.800 0.104 0.000 0.961 321 D HN 0.483 nan 8.370 nan 0.000 0.460 322 G N 0.716 109.623 108.800 0.179 0.000 2.421 322 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 322 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 322 G C 1.700 176.787 174.900 0.312 0.000 1.171 322 G CA 0.435 45.685 45.100 0.249 0.000 0.775 322 G HN 0.280 nan 8.290 nan 0.000 0.543 323 I N 1.112 121.822 120.570 0.232 0.000 2.439 323 I HA -0.080 4.091 4.170 0.001 0.000 0.251 323 I C 2.787 178.972 176.117 0.114 0.000 1.139 323 I CA 1.353 62.761 61.300 0.181 0.000 1.438 323 I CB 0.047 38.143 38.000 0.160 0.000 1.085 323 I HN 0.116 nan 8.210 nan 0.000 0.427 324 S N -0.382 115.395 115.700 0.127 0.000 2.368 324 S HA -0.240 4.231 4.470 0.001 0.000 0.224 324 S C 1.597 176.242 174.600 0.075 0.000 1.029 324 S CA 1.421 59.670 58.200 0.081 0.000 0.988 324 S CB -0.843 62.409 63.200 0.087 0.000 0.838 324 S HN 0.703 nan 8.310 nan 0.000 0.462 325 W N 1.977 123.270 121.300 -0.012 0.000 2.333 325 W HA -0.165 4.495 4.660 0.000 0.000 0.316 325 W C 2.017 178.458 176.519 -0.129 0.000 1.215 325 W CA 1.267 58.597 57.345 -0.025 0.000 1.278 325 W CB -0.470 29.016 29.460 0.043 0.000 1.154 325 W HN 0.233 nan 8.180 nan 0.000 0.486 326 I N 1.577 122.169 120.570 0.037 0.000 2.163 326 I HA -0.304 3.867 4.170 0.001 0.000 0.240 326 I C 1.938 177.818 176.117 -0.396 0.000 1.081 326 I CA 2.030 63.057 61.300 -0.455 0.000 1.353 326 I CB -1.089 36.243 38.000 -1.113 0.000 1.054 326 I HN -0.053 nan 8.210 nan 0.000 0.407 327 N N 1.337 119.904 118.700 -0.223 0.000 2.132 327 N HA -0.264 4.477 4.740 0.001 0.000 0.191 327 N C 1.641 177.051 175.510 -0.168 0.000 1.015 327 N CA 1.923 54.884 53.050 -0.149 0.000 0.864 327 N CB -0.554 37.895 38.487 -0.064 0.000 1.006 327 N HN 0.681 nan 8.380 nan 0.000 0.430 328 E N -0.021 120.055 120.200 -0.207 0.000 2.268 328 E HA -0.086 4.265 4.350 0.001 0.000 0.195 328 E C 1.687 178.137 176.600 -0.251 0.000 0.995 328 E CA 0.800 57.075 56.400 -0.208 0.000 0.836 328 E CB -0.076 29.499 29.700 -0.207 0.000 0.763 328 E HN 0.320 nan 8.360 nan 0.000 0.491 329 R N 0.578 120.875 120.500 -0.338 0.000 2.123 329 R HA 0.171 4.512 4.340 0.001 0.000 0.209 329 R C 2.477 178.644 176.300 -0.222 0.000 1.078 329 R CA 0.852 56.755 56.100 -0.328 0.000 1.028 329 R CB -0.088 29.916 30.300 -0.493 0.000 0.939 329 R HN 0.308 nan 8.270 nan 0.000 0.463 330 I N -1.431 119.011 120.570 -0.212 0.000 3.578 330 I HA 0.138 4.309 4.170 0.001 0.000 0.295 330 I C -0.348 175.717 176.117 -0.088 0.000 1.280 330 I CA 0.050 61.271 61.300 -0.131 0.000 1.347 330 I CB 0.337 38.270 38.000 -0.112 0.000 1.051 330 I HN -0.109 nan 8.210 nan 0.000 0.460 331 K N 2.195 122.536 120.400 -0.098 0.000 3.129 331 K HA -0.190 4.131 4.320 0.001 0.000 0.273 331 K C -0.274 176.307 176.600 -0.033 0.000 1.123 331 K CA 1.203 57.451 56.287 -0.065 0.000 0.800 331 K CB -1.971 30.495 32.500 -0.057 0.000 1.238 331 K HN 0.917 nan 8.250 nan 0.000 0.492 332 R N -2.714 117.770 120.500 -0.027 0.000 2.728 332 R HA 0.470 4.811 4.340 0.001 0.000 0.274 332 R C -3.371 172.939 176.300 0.017 0.000 1.032 332 R CA -1.806 54.301 56.100 0.011 0.000 0.866 332 R CB 1.120 31.444 30.300 0.040 0.000 1.263 332 R HN -0.284 nan 8.270 nan 0.000 0.475 333 P HA 0.179 nan 4.420 nan 0.000 0.276 333 P C -0.541 176.824 177.300 0.108 0.000 1.243 333 P CA -0.089 63.047 63.100 0.061 0.000 0.768 333 P CB 1.221 32.962 31.700 0.068 0.000 0.856 334 A N 3.936 126.815 122.820 0.099 0.000 2.466 334 A HA 0.085 4.406 4.320 0.001 0.000 0.238 334 A C -0.673 177.074 177.584 0.271 0.000 1.074 334 A CA 0.112 52.252 52.037 0.171 0.000 0.774 334 A CB -0.371 18.706 19.000 0.128 0.000 1.015 334 A HN 0.604 nan 8.150 nan 0.000 0.498 335 Y N 3.079 123.494 120.300 0.192 0.000 2.434 335 Y HA 0.375 4.926 4.550 0.001 0.000 0.341 335 Y C -0.142 175.876 175.900 0.196 0.000 0.965 335 Y CA -1.048 57.170 58.100 0.196 0.000 1.205 335 Y CB 0.491 39.058 38.460 0.178 0.000 1.121 335 Y HN 0.469 nan 8.280 nan 0.000 0.507 336 I N 6.320 127.042 120.570 0.254 0.000 2.533 336 I HA -0.141 4.030 4.170 0.001 0.000 0.284 336 I C -0.185 175.984 176.117 0.086 0.000 1.109 336 I CA -0.137 61.249 61.300 0.144 0.000 1.412 336 I CB 0.240 38.216 38.000 -0.041 0.000 1.396 336 I HN 0.712 nan 8.210 nan 0.000 0.543 337 W N 9.308 130.568 121.300 -0.068 0.000 2.288 337 W HA 0.178 4.839 4.660 0.002 0.000 0.325 337 W C -1.236 175.177 176.519 -0.177 0.000 1.019 337 W CA -1.482 55.768 57.345 -0.158 0.000 1.403 337 W CB 0.930 30.254 29.460 -0.227 0.000 1.226 337 W HN 0.565 nan 8.180 nan 0.000 0.391 338 W N 8.150 129.325 121.300 -0.209 0.000 2.332 338 W HA 0.272 4.933 4.660 0.001 0.000 0.306 338 W C 0.189 176.687 176.519 -0.035 0.000 1.149 338 W CA -0.721 56.509 57.345 -0.192 0.000 1.271 338 W CB 0.538 29.778 29.460 -0.368 0.000 1.243 338 W HN 0.234 nan 8.180 nan 0.000 0.459 339 N N 7.036 125.536 118.700 -0.332 0.000 3.178 339 N HA 0.085 4.826 4.740 0.001 0.000 0.300 339 N C -1.581 173.542 175.510 -0.645 0.000 1.242 339 N CA 0.239 53.063 53.050 -0.377 0.000 1.192 339 N CB -0.528 37.773 38.487 -0.309 0.000 1.463 339 N HN 0.353 nan 8.380 nan 0.000 0.539 340 F N 1.210 120.584 119.950 -0.960 0.000 2.622 340 F HA 0.333 4.861 4.527 0.001 0.000 0.318 340 F C -2.373 173.104 175.800 -0.538 0.000 1.135 340 F CA -1.629 55.836 58.000 -0.893 0.000 1.015 340 F CB 2.363 40.486 39.000 -1.461 0.000 1.275 340 F HN -0.044 nan 8.300 nan 0.000 0.457 341 P HA 0.056 nan 4.420 nan 0.000 0.261 341 P C 0.211 177.117 177.300 -0.657 0.000 1.352 341 P CA 0.260 62.517 63.100 -1.406 0.000 0.891 341 P CB 0.503 31.494 31.700 -1.182 0.000 1.383 342 V N 2.293 121.967 119.914 -0.399 0.000 2.780 342 V HA -0.105 4.016 4.120 0.001 0.000 0.301 342 V C 1.102 177.039 176.094 -0.261 0.000 1.168 342 V CA 1.815 63.971 62.300 -0.240 0.000 1.305 342 V CB -0.017 31.766 31.823 -0.067 0.000 0.858 342 V HN 0.435 nan 8.190 nan 0.000 0.502 343 S N 2.092 117.624 115.700 -0.281 0.000 2.855 343 S HA 0.182 4.653 4.470 0.001 0.000 0.249 343 S C 0.678 175.113 174.600 -0.275 0.000 1.033 343 S CA 0.082 58.066 58.200 -0.359 0.000 1.038 343 S CB 0.202 63.244 63.200 -0.264 0.000 0.960 343 S HN 0.969 nan 8.310 nan 0.000 0.548 344 D N 1.559 121.897 120.400 -0.103 0.000 2.378 344 D HA -0.133 4.507 4.640 0.001 0.000 0.227 344 D C 1.057 177.408 176.300 0.085 0.000 1.012 344 D CA 0.393 54.410 54.000 0.029 0.000 0.905 344 D CB -0.702 40.197 40.800 0.165 0.000 0.895 344 D HN 0.766 nan 8.370 nan 0.000 0.532 345 Y N -0.916 119.395 120.300 0.018 0.000 2.481 345 Y HA 0.375 4.926 4.550 0.002 0.000 0.247 345 Y C 0.490 176.405 175.900 0.025 0.000 1.151 345 Y CA -0.605 57.496 58.100 0.002 0.000 1.238 345 Y CB 0.310 38.783 38.460 0.021 0.000 1.179 345 Y HN -0.052 nan 8.280 nan 0.000 0.524 346 V N -1.402 118.313 119.914 -0.331 0.000 2.575 346 V HA 0.474 4.595 4.120 0.001 0.000 0.281 346 V C 0.743 176.846 176.094 0.015 0.000 1.087 346 V CA -0.757 61.443 62.300 -0.167 0.000 1.193 346 V CB 0.272 31.878 31.823 -0.362 0.000 1.426 346 V HN 0.254 nan 8.190 nan 0.000 0.623 347 R N 1.395 121.949 120.500 0.090 0.000 2.237 347 R HA -0.069 4.272 4.340 0.001 0.000 0.219 347 R C 1.446 177.933 176.300 0.311 0.000 1.080 347 R CA 1.586 57.783 56.100 0.162 0.000 0.995 347 R CB 0.035 30.442 30.300 0.178 0.000 0.875 347 R HN 0.865 nan 8.270 nan 0.000 0.462 348 D N -0.800 119.789 120.400 0.316 0.000 2.363 348 D HA -0.074 4.567 4.640 0.001 0.000 0.226 348 D C 0.233 176.799 176.300 0.443 0.000 1.020 348 D CA 0.593 54.807 54.000 0.356 0.000 0.892 348 D CB -0.145 40.758 40.800 0.172 0.000 0.900 348 D HN 0.231 nan 8.370 nan 0.000 0.531 349 H N 0.061 119.286 119.070 0.259 0.000 2.492 349 H HA 0.399 4.956 4.556 0.002 0.000 0.345 349 H C -0.076 175.118 175.328 -0.223 0.000 1.136 349 H CA -0.873 55.232 56.048 0.095 0.000 1.202 349 H CB 2.178 31.944 29.762 0.006 0.000 1.524 349 H HN -0.079 nan 8.280 nan 0.000 0.506 350 L N 3.704 124.666 121.223 -0.434 0.000 2.334 350 L HA 0.278 4.618 4.340 0.001 0.000 0.277 350 L C -0.007 176.709 176.870 -0.257 0.000 1.075 350 L CA -0.545 53.969 54.840 -0.544 0.000 0.804 350 L CB 0.965 42.530 42.059 -0.823 0.000 1.174 350 L HN 0.360 nan 8.230 nan 0.000 0.438 351 L N 5.524 126.608 121.223 -0.231 0.000 2.387 351 L HA 0.324 4.665 4.340 0.001 0.000 0.259 351 L C 0.343 177.161 176.870 -0.087 0.000 1.050 351 L CA -0.066 54.688 54.840 -0.143 0.000 0.922 351 L CB 0.755 42.663 42.059 -0.251 0.000 1.280 351 L HN 0.657 nan 8.230 nan 0.000 0.449 352 L N 1.231 122.463 121.223 0.015 0.000 2.728 352 L HA 0.321 4.662 4.340 0.001 0.000 0.238 352 L C 1.356 178.444 176.870 0.363 0.000 1.143 352 L CA -0.144 54.767 54.840 0.119 0.000 0.937 352 L CB 0.384 42.450 42.059 0.012 0.000 1.225 352 L HN 0.573 nan 8.230 nan 0.000 0.507 353 G N 0.671 109.654 108.800 0.304 0.000 2.563 353 G HA2 0.361 4.322 3.960 0.001 0.000 0.283 353 G HA3 0.361 4.322 3.960 0.001 0.000 0.283 353 G C -2.477 172.465 174.900 0.071 0.000 1.309 353 G CA -0.879 44.290 45.100 0.115 0.000 1.022 353 G HN -0.135 nan 8.290 nan 0.000 0.501 354 P HA 0.145 nan 4.420 nan 0.000 0.270 354 P C -0.298 176.985 177.300 -0.028 0.000 1.223 354 P CA -0.324 62.572 63.100 -0.339 0.000 0.785 354 P CB 0.860 31.942 31.700 -1.031 0.000 0.923 355 V N 3.742 123.742 119.914 0.142 0.000 2.408 355 V HA 0.265 4.385 4.120 0.001 0.000 0.267 355 V C -0.021 176.139 176.094 0.110 0.000 1.047 355 V CA 0.448 62.834 62.300 0.143 0.000 0.937 355 V CB -1.105 30.920 31.823 0.336 0.000 0.999 355 V HN 0.598 nan 8.190 nan 0.000 0.472 356 Y N 2.107 122.318 120.300 -0.149 0.000 2.705 356 Y HA 0.848 5.399 4.550 0.001 0.000 0.332 356 Y C 0.672 176.483 175.900 -0.149 0.000 1.221 356 Y CA -0.437 57.571 58.100 -0.154 0.000 1.059 356 Y CB 1.487 39.839 38.460 -0.180 0.000 1.298 356 Y HN 0.695 nan 8.280 nan 0.000 0.459 357 G N 0.700 109.517 108.800 0.028 0.000 2.259 357 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 357 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 357 G C -0.678 174.172 174.900 -0.084 0.000 1.001 357 G CA -0.183 44.915 45.100 -0.003 0.000 0.627 357 G HN 0.700 nan 8.290 nan 0.000 0.501 358 N N 2.021 120.549 118.700 -0.286 0.000 2.472 358 N HA 0.335 5.076 4.740 0.001 0.000 0.277 358 N C -0.686 174.748 175.510 -0.127 0.000 1.081 358 N CA -0.326 52.528 53.050 -0.328 0.000 0.973 358 N CB 1.373 39.356 38.487 -0.840 0.000 1.105 358 N HN 0.344 nan 8.380 nan 0.000 0.470 359 D N 0.860 121.264 120.400 0.007 0.000 2.493 359 D HA -0.053 4.588 4.640 0.001 0.000 0.240 359 D C 0.771 177.154 176.300 0.139 0.000 1.142 359 D CA 0.476 54.519 54.000 0.071 0.000 0.872 359 D CB 0.817 41.659 40.800 0.071 0.000 1.173 359 D HN 0.544 nan 8.370 nan 0.000 0.467 360 T N -0.721 113.910 114.554 0.128 0.000 3.144 360 T HA -0.004 4.347 4.350 0.001 0.000 0.249 360 T C 1.300 176.001 174.700 0.001 0.000 1.089 360 T CA 0.432 62.600 62.100 0.113 0.000 0.989 360 T CB -0.127 68.827 68.868 0.142 0.000 0.992 360 T HN 0.406 nan 8.240 nan 0.000 0.540 361 T N -0.360 114.201 114.554 0.012 0.000 3.084 361 T HA 0.328 4.679 4.350 0.001 0.000 0.270 361 T C 1.161 175.853 174.700 -0.014 0.000 1.008 361 T CA -0.478 61.618 62.100 -0.007 0.000 0.900 361 T CB -0.725 68.150 68.868 0.012 0.000 1.084 361 T HN 0.638 nan 8.240 nan 0.000 0.538 362 I N -1.825 118.737 120.570 -0.014 0.000 3.927 362 I HA 0.702 4.873 4.170 0.001 0.000 0.332 362 I C 2.090 178.193 176.117 -0.023 0.000 1.485 362 I CA -0.717 60.585 61.300 0.003 0.000 1.131 362 I CB -0.218 37.811 38.000 0.049 0.000 1.092 362 I HN 0.073 nan 8.210 nan 0.000 0.410 363 A N 2.462 125.230 122.820 -0.085 0.000 1.927 363 A HA -0.237 4.084 4.320 0.001 0.000 0.220 363 A C 2.309 179.853 177.584 -0.066 0.000 1.185 363 A CA 1.946 53.911 52.037 -0.119 0.000 0.639 363 A CB -0.483 18.411 19.000 -0.176 0.000 0.820 363 A HN 0.559 nan 8.150 nan 0.000 0.451 364 K N -0.519 119.855 120.400 -0.043 0.000 2.365 364 K HA -0.060 4.261 4.320 0.001 0.000 0.199 364 K C 0.970 177.569 176.600 -0.003 0.000 1.045 364 K CA 1.002 57.275 56.287 -0.024 0.000 0.962 364 K CB 0.047 32.536 32.500 -0.019 0.000 0.759 364 K HN 0.449 nan 8.250 nan 0.000 0.469 365 E N 0.447 120.653 120.200 0.011 0.000 2.479 365 E HA 0.035 4.385 4.350 0.001 0.000 0.193 365 E C 0.620 177.254 176.600 0.056 0.000 1.049 365 E CA 0.350 56.770 56.400 0.032 0.000 0.870 365 E CB 0.052 29.779 29.700 0.044 0.000 0.944 365 E HN 0.429 nan 8.360 nan 0.000 0.492 366 M N -1.795 117.837 119.600 0.053 0.000 2.395 366 M HA 0.498 4.979 4.480 0.001 0.000 0.307 366 M C 0.403 176.736 176.300 0.055 0.000 1.091 366 M CA -0.620 54.730 55.300 0.084 0.000 0.919 366 M CB 2.245 34.924 32.600 0.131 0.000 1.662 366 M HN -0.400 nan 8.290 nan 0.000 0.440 367 S N 1.490 117.245 115.700 0.092 0.000 2.461 367 S HA 0.314 4.785 4.470 0.001 0.000 0.228 367 S C 0.721 175.329 174.600 0.014 0.000 1.005 367 S CA 0.680 58.949 58.200 0.115 0.000 0.942 367 S CB 0.038 63.406 63.200 0.280 0.000 0.776 367 S HN 0.962 nan 8.310 nan 0.000 0.514 368 G N 0.057 108.739 108.800 -0.197 0.000 2.632 368 G HA2 0.567 4.528 3.960 0.001 0.000 0.292 368 G HA3 0.567 4.528 3.960 0.001 0.000 0.292 368 G C -2.118 172.649 174.900 -0.223 0.000 1.465 368 G CA -0.691 44.083 45.100 -0.544 0.000 0.824 368 G HN 0.122 nan 8.290 nan 0.000 0.509 369 F N 1.845 121.655 119.950 -0.234 0.000 2.671 369 F HA 0.591 5.119 4.527 0.001 0.000 0.332 369 F C -0.327 175.488 175.800 0.025 0.000 1.189 369 F CA -0.805 57.177 58.000 -0.029 0.000 0.988 369 F CB 1.980 40.995 39.000 0.025 0.000 1.258 369 F HN 0.581 nan 8.300 nan 0.000 0.471 370 V N 2.377 122.210 119.914 -0.135 0.000 2.680 370 V HA 0.698 4.819 4.120 0.001 0.000 0.309 370 V C -0.464 175.548 176.094 -0.137 0.000 1.052 370 V CA -0.563 61.709 62.300 -0.047 0.000 0.908 370 V CB 1.316 33.110 31.823 -0.048 0.000 1.001 370 V HN 0.771 nan 8.190 nan 0.000 0.431 371 T N 2.909 117.488 114.554 0.041 0.000 2.806 371 T HA 0.352 4.703 4.350 0.001 0.000 0.290 371 T C -0.140 174.466 174.700 -0.157 0.000 0.966 371 T CA -0.256 61.893 62.100 0.082 0.000 1.060 371 T CB 0.463 69.517 68.868 0.311 0.000 0.927 371 T HN 0.982 nan 8.240 nan 0.000 0.485 372 N N 6.482 125.023 118.700 -0.264 0.000 2.420 372 N HA 0.438 5.178 4.740 0.001 0.000 0.249 372 N C -2.359 173.076 175.510 -0.125 0.000 1.033 372 N CA -1.901 50.969 53.050 -0.300 0.000 0.944 372 N CB 1.137 39.463 38.487 -0.269 0.000 1.113 372 N HN 0.417 nan 8.380 nan 0.000 0.502 373 P HA 0.320 nan 4.420 nan 0.000 0.314 373 P C -0.300 176.932 177.300 -0.113 0.000 1.306 373 P CA -0.595 62.511 63.100 0.010 0.000 0.782 373 P CB 1.341 33.215 31.700 0.291 0.000 1.337 374 M N 0.129 119.640 119.600 -0.147 0.000 2.228 374 M HA 0.095 4.576 4.480 0.001 0.000 0.326 374 M C 1.866 177.820 176.300 -0.577 0.000 1.122 374 M CA 0.073 55.159 55.300 -0.357 0.000 1.161 374 M CB 0.275 32.758 32.600 -0.196 0.000 1.437 374 M HN 0.467 nan 8.290 nan 0.000 0.465 375 E N 0.325 119.904 120.200 -1.035 0.000 2.331 375 E HA -0.170 4.181 4.350 0.001 0.000 0.199 375 E C -0.236 176.207 176.600 -0.262 0.000 1.008 375 E CA 1.107 56.964 56.400 -0.905 0.000 0.843 375 E CB -0.166 29.087 29.700 -0.744 0.000 0.761 375 E HN 0.507 nan 8.360 nan 0.000 0.507 376 H N 0.661 119.701 119.070 -0.050 0.000 2.969 376 H HA 0.299 4.855 4.556 0.001 0.000 0.269 376 H C 0.863 176.125 175.328 -0.110 0.000 1.223 376 H CA 0.272 56.279 56.048 -0.069 0.000 1.400 376 H CB 1.187 30.852 29.762 -0.162 0.000 1.500 376 H HN 0.264 nan 8.280 nan 0.000 0.486 377 A N 4.055 126.724 122.820 -0.253 0.000 1.841 377 A HA -0.183 4.138 4.320 0.001 0.000 0.216 377 A C 2.170 179.459 177.584 -0.491 0.000 1.199 377 A CA 1.190 52.734 52.037 -0.821 0.000 0.621 377 A CB -0.007 18.186 19.000 -1.345 0.000 0.835 377 A HN 0.569 nan 8.150 nan 0.000 0.445 378 E N 0.282 120.260 120.200 -0.369 0.000 2.077 378 E HA -0.124 4.227 4.350 0.001 0.000 0.193 378 E C 2.348 178.805 176.600 -0.239 0.000 0.989 378 E CA 1.396 57.602 56.400 -0.323 0.000 0.800 378 E CB -0.657 28.885 29.700 -0.264 0.000 0.746 378 E HN 0.554 nan 8.360 nan 0.000 0.452 379 S N 1.173 116.776 115.700 -0.162 0.000 2.402 379 S HA -0.115 4.356 4.470 0.001 0.000 0.233 379 S C 2.105 176.650 174.600 -0.092 0.000 1.030 379 S CA 1.049 59.174 58.200 -0.124 0.000 1.003 379 S CB -0.149 62.973 63.200 -0.131 0.000 0.813 379 S HN 0.153 nan 8.310 nan 0.000 0.477 380 S N 1.001 116.656 115.700 -0.075 0.000 2.481 380 S HA 0.025 4.496 4.470 0.001 0.000 0.231 380 S C 1.640 176.267 174.600 0.045 0.000 0.996 380 S CA 0.577 58.778 58.200 0.002 0.000 0.942 380 S CB -0.078 63.189 63.200 0.111 0.000 0.768 380 S HN 0.501 nan 8.310 nan 0.000 0.520 381 K N 1.018 121.371 120.400 -0.078 0.000 2.280 381 K HA -0.014 4.307 4.320 0.001 0.000 0.202 381 K C 1.666 178.367 176.600 0.168 0.000 1.047 381 K CA 0.903 57.147 56.287 -0.072 0.000 0.942 381 K CB -0.310 31.820 32.500 -0.615 0.000 0.739 381 K HN 0.389 nan 8.250 nan 0.000 0.457 382 I N 0.997 121.626 120.570 0.099 0.000 2.179 382 I HA -0.292 3.879 4.170 0.001 0.000 0.242 382 I C 2.509 178.831 176.117 0.342 0.000 1.088 382 I CA 1.312 62.707 61.300 0.160 0.000 1.357 382 I CB -0.373 37.699 38.000 0.121 0.000 1.051 382 I HN 0.136 nan 8.210 nan 0.000 0.409 383 A N 0.618 123.648 122.820 0.350 0.000 1.969 383 A HA -0.100 4.221 4.320 0.001 0.000 0.218 383 A C 2.283 180.146 177.584 0.465 0.000 1.169 383 A CA 1.237 53.552 52.037 0.463 0.000 0.635 383 A CB -0.693 18.556 19.000 0.416 0.000 0.810 383 A HN 0.381 nan 8.150 nan 0.000 0.445 384 I N -2.102 118.732 120.570 0.440 0.000 2.252 384 I HA -0.232 3.939 4.170 0.001 0.000 0.245 384 I C 2.430 178.840 176.117 0.488 0.000 1.102 384 I CA 1.572 63.154 61.300 0.470 0.000 1.385 384 I CB -0.352 37.977 38.000 0.548 0.000 1.064 384 I HN 0.555 nan 8.210 nan 0.000 0.414 385 Y N 1.247 121.801 120.300 0.423 0.000 2.224 385 Y HA -0.256 4.294 4.550 0.001 0.000 0.289 385 Y C 2.676 178.709 175.900 0.222 0.000 1.146 385 Y CA 1.784 60.041 58.100 0.262 0.000 1.182 385 Y CB 0.033 38.688 38.460 0.325 0.000 0.983 385 Y HN 0.050 nan 8.280 nan 0.000 0.524 386 S N -0.619 115.413 115.700 0.552 0.000 2.371 386 S HA -0.158 4.312 4.470 0.001 0.000 0.224 386 S C 2.006 176.782 174.600 0.293 0.000 1.029 386 S CA 1.279 59.776 58.200 0.495 0.000 0.978 386 S CB -0.566 62.955 63.200 0.535 0.000 0.833 386 S HN 0.319 nan 8.310 nan 0.000 0.466 387 V N 2.248 122.328 119.914 0.276 0.000 2.407 387 V HA -0.192 3.929 4.120 0.001 0.000 0.248 387 V C 2.651 178.820 176.094 0.123 0.000 1.055 387 V CA 1.608 64.021 62.300 0.187 0.000 1.049 387 V CB -1.236 30.822 31.823 0.391 0.000 0.662 387 V HN 0.528 nan 8.190 nan 0.000 0.455 388 A N -0.589 122.298 122.820 0.112 0.000 1.908 388 A HA -0.263 4.058 4.320 0.001 0.000 0.218 388 A C 2.573 180.148 177.584 -0.013 0.000 1.181 388 A CA 2.394 54.441 52.037 0.016 0.000 0.627 388 A CB -0.825 18.121 19.000 -0.090 0.000 0.818 388 A HN 0.491 nan 8.150 nan 0.000 0.445 389 S N -1.919 113.776 115.700 -0.008 0.000 2.356 389 S HA -0.205 4.266 4.470 0.001 0.000 0.223 389 S C 1.934 176.597 174.600 0.104 0.000 1.032 389 S CA 1.664 59.898 58.200 0.057 0.000 1.005 389 S CB -0.592 62.718 63.200 0.183 0.000 0.867 389 S HN 0.688 nan 8.310 nan 0.000 0.449 390 Y N 1.991 122.159 120.300 -0.221 0.000 2.128 390 Y HA -0.081 4.469 4.550 0.001 0.000 0.284 390 Y C 2.321 177.996 175.900 -0.375 0.000 1.154 390 Y CA 1.631 59.375 58.100 -0.593 0.000 1.149 390 Y CB -0.923 36.814 38.460 -1.204 0.000 0.976 390 Y HN 0.298 nan 8.280 nan 0.000 0.505 391 A N 0.283 122.868 122.820 -0.392 0.000 2.016 391 A HA -0.126 4.195 4.320 0.001 0.000 0.217 391 A C 2.190 179.624 177.584 -0.249 0.000 1.162 391 A CA 1.002 52.775 52.037 -0.439 0.000 0.662 391 A CB -1.393 17.516 19.000 -0.152 0.000 0.812 391 A HN 0.845 nan 8.150 nan 0.000 0.450 392 W N 0.509 121.645 121.300 -0.273 0.000 2.408 392 W HA -0.003 4.658 4.660 0.001 0.000 0.311 392 W C -0.034 176.332 176.519 -0.256 0.000 1.190 392 W CA 1.577 58.782 57.345 -0.232 0.000 1.321 392 W CB -0.054 29.279 29.460 -0.211 0.000 1.143 392 W HN 0.374 nan 8.180 nan 0.000 0.501 393 N N 0.470 119.184 118.700 0.023 0.000 2.791 393 N HA 0.171 4.912 4.740 0.001 0.000 0.265 393 N C -2.007 173.441 175.510 -0.103 0.000 1.580 393 N CA -1.820 51.192 53.050 -0.064 0.000 0.809 393 N CB 0.760 39.298 38.487 0.084 0.000 1.178 393 N HN -0.140 nan 8.380 nan 0.000 0.499 394 P HA -0.064 nan 4.420 nan 0.000 0.218 394 P C 1.019 178.283 177.300 -0.059 0.000 1.149 394 P CA 0.752 63.669 63.100 -0.305 0.000 0.817 394 P CB 0.330 31.662 31.700 -0.613 0.000 0.785 395 A N 0.247 123.022 122.820 -0.075 0.000 2.015 395 A HA -0.113 4.208 4.320 0.001 0.000 0.219 395 A C 1.944 179.538 177.584 0.017 0.000 1.163 395 A CA 1.404 53.426 52.037 -0.025 0.000 0.646 395 A CB -0.671 18.299 19.000 -0.049 0.000 0.806 395 A HN 0.026 nan 8.150 nan 0.000 0.448 396 K N -1.069 119.347 120.400 0.026 0.000 2.397 396 K HA 0.135 4.456 4.320 0.001 0.000 0.202 396 K C -0.455 176.197 176.600 0.087 0.000 1.022 396 K CA -0.444 55.868 56.287 0.041 0.000 1.141 396 K CB -0.405 32.108 32.500 0.021 0.000 0.857 396 K HN 0.534 nan 8.250 nan 0.000 0.514 397 Y N 2.642 122.952 120.300 0.017 0.000 2.569 397 Y HA -0.025 4.525 4.550 0.001 0.000 0.332 397 Y C -0.159 175.779 175.900 0.064 0.000 1.120 397 Y CA -0.434 57.702 58.100 0.059 0.000 1.416 397 Y CB 0.337 38.876 38.460 0.132 0.000 1.210 397 Y HN -0.043 nan 8.280 nan 0.000 0.528 398 D N 5.054 125.107 120.400 -0.579 0.000 2.464 398 D HA 0.151 4.792 4.640 0.001 0.000 0.243 398 D C 0.619 176.528 176.300 -0.652 0.000 1.104 398 D CA -0.136 53.610 54.000 -0.423 0.000 0.883 398 D CB 1.256 41.965 40.800 -0.153 0.000 1.050 398 D HN 0.787 nan 8.370 nan 0.000 0.524 399 T N 2.236 116.403 114.554 -0.646 0.000 2.597 399 T HA -0.208 4.143 4.350 0.001 0.000 0.267 399 T C 1.496 176.012 174.700 -0.306 0.000 1.053 399 T CA 1.433 63.232 62.100 -0.502 0.000 1.165 399 T CB -0.289 68.343 68.868 -0.393 0.000 0.863 399 T HN 0.544 nan 8.240 nan 0.000 0.427 400 W N 0.958 122.225 121.300 -0.056 0.000 2.409 400 W HA 0.012 4.673 4.660 0.001 0.000 0.299 400 W C 2.896 179.510 176.519 0.158 0.000 1.203 400 W CA 0.363 57.746 57.345 0.064 0.000 1.298 400 W CB -0.441 29.021 29.460 0.003 0.000 1.127 400 W HN 0.164 nan 8.180 nan 0.000 0.528 401 Q N 0.045 120.000 119.800 0.259 0.000 2.124 401 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 401 Q C 1.961 178.070 176.000 0.182 0.000 0.977 401 Q CA 2.385 58.302 55.803 0.190 0.000 0.850 401 Q CB -0.755 28.045 28.738 0.103 0.000 0.901 401 Q HN 0.103 nan 8.270 nan 0.000 0.429 402 T N -0.586 114.053 114.554 0.143 0.000 2.821 402 T HA -0.139 4.212 4.350 0.001 0.000 0.267 402 T C 0.990 175.879 174.700 0.316 0.000 1.046 402 T CA 1.070 63.316 62.100 0.242 0.000 1.139 402 T CB -0.501 68.497 68.868 0.217 0.000 0.871 402 T HN 0.535 nan 8.240 nan 0.000 0.454 403 W N 2.421 123.776 121.300 0.092 0.000 2.333 403 W HA -0.110 4.551 4.660 0.002 0.000 0.316 403 W C 2.055 178.611 176.519 0.062 0.000 1.215 403 W CA 1.088 58.478 57.345 0.075 0.000 1.278 403 W CB -0.189 29.278 29.460 0.012 0.000 1.154 403 W HN 0.111 nan 8.180 nan 0.000 0.486 404 K N -0.209 120.271 120.400 0.133 0.000 2.057 404 K HA -0.195 4.125 4.320 0.001 0.000 0.207 404 K C 1.618 178.133 176.600 -0.141 0.000 1.049 404 K CA 1.789 58.020 56.287 -0.093 0.000 0.931 404 K CB -0.527 32.038 32.500 0.109 0.000 0.714 404 K HN 0.077 nan 8.250 nan 0.000 0.440 405 D N 0.864 121.243 120.400 -0.035 0.000 2.104 405 D HA -0.165 4.476 4.640 0.001 0.000 0.194 405 D C 1.906 177.970 176.300 -0.393 0.000 0.994 405 D CA 1.474 55.437 54.000 -0.063 0.000 0.830 405 D CB -0.335 40.568 40.800 0.172 0.000 0.959 405 D HN 0.211 nan 8.370 nan 0.000 0.452 406 A N 0.844 123.261 122.820 -0.672 0.000 1.892 406 A HA -0.192 4.129 4.320 0.001 0.000 0.218 406 A C 2.430 179.685 177.584 -0.548 0.000 1.188 406 A CA 1.236 52.630 52.037 -1.072 0.000 0.631 406 A CB -0.860 17.830 19.000 -0.517 0.000 0.822 406 A HN 0.219 nan 8.150 nan 0.000 0.447 407 I N -1.433 118.867 120.570 -0.451 0.000 2.226 407 I HA -0.233 3.938 4.170 0.001 0.000 0.245 407 I C 2.734 178.690 176.117 -0.268 0.000 1.100 407 I CA 1.723 62.795 61.300 -0.380 0.000 1.374 407 I CB -0.235 37.451 38.000 -0.524 0.000 1.057 407 I HN 0.328 nan 8.210 nan 0.000 0.413 408 R N 0.189 120.544 120.500 -0.241 0.000 2.148 408 R HA -0.116 4.225 4.340 0.001 0.000 0.227 408 R C 2.167 178.391 176.300 -0.127 0.000 1.103 408 R CA 1.633 57.639 56.100 -0.155 0.000 0.983 408 R CB -0.102 30.129 30.300 -0.115 0.000 0.874 408 R HN 0.260 nan 8.270 nan 0.000 0.451 409 T N 0.441 114.898 114.554 -0.161 0.000 2.812 409 T HA -0.024 4.327 4.350 0.001 0.000 0.264 409 T C 1.709 176.380 174.700 -0.049 0.000 1.042 409 T CA 1.243 63.298 62.100 -0.076 0.000 1.140 409 T CB -0.036 68.796 68.868 -0.061 0.000 0.870 409 T HN 0.152 nan 8.240 nan 0.000 0.445 410 I N -0.064 120.441 120.570 -0.109 0.000 2.286 410 I HA 0.022 4.193 4.170 0.001 0.000 0.245 410 I C 0.654 176.701 176.117 -0.116 0.000 1.104 410 I CA 0.875 62.107 61.300 -0.113 0.000 1.397 410 I CB 0.217 38.113 38.000 -0.172 0.000 1.072 410 I HN 0.105 nan 8.210 nan 0.000 0.417 411 L N 1.536 122.685 121.223 -0.123 0.000 2.475 411 L HA 0.343 4.684 4.340 0.001 0.000 0.253 411 L C -1.923 174.889 176.870 -0.097 0.000 1.483 411 L CA -1.352 53.423 54.840 -0.110 0.000 0.869 411 L CB 0.716 42.701 42.059 -0.123 0.000 1.086 411 L HN -0.203 nan 8.230 nan 0.000 0.514 412 P HA -0.145 nan 4.420 nan 0.000 0.218 412 P C 1.238 178.502 177.300 -0.059 0.000 1.148 412 P CA 1.454 64.514 63.100 -0.067 0.000 0.822 412 P CB 0.223 31.892 31.700 -0.052 0.000 0.784 413 S N -0.701 114.965 115.700 -0.057 0.000 2.481 413 S HA 0.168 4.639 4.470 0.001 0.000 0.231 413 S C 1.491 176.060 174.600 -0.052 0.000 0.996 413 S CA 0.652 58.822 58.200 -0.050 0.000 0.942 413 S CB -0.561 62.610 63.200 -0.048 0.000 0.768 413 S HN 0.180 nan 8.310 nan 0.000 0.520 414 A N -0.153 122.629 122.820 -0.064 0.000 3.106 414 A HA 0.860 5.181 4.320 0.001 0.000 0.227 414 A C 1.227 178.768 177.584 -0.071 0.000 0.920 414 A CA 0.068 52.068 52.037 -0.062 0.000 1.088 414 A CB -0.302 18.657 19.000 -0.069 0.000 1.233 414 A HN 0.446 nan 8.150 nan 0.000 0.503 415 A N 0.453 123.229 122.820 -0.074 0.000 1.877 415 A HA -0.119 4.202 4.320 0.001 0.000 0.216 415 A C 1.720 179.251 177.584 -0.088 0.000 1.186 415 A CA 1.833 53.810 52.037 -0.099 0.000 0.620 415 A CB -0.331 18.610 19.000 -0.099 0.000 0.822 415 A HN 0.613 nan 8.150 nan 0.000 0.443 416 E N -0.511 119.661 120.200 -0.046 0.000 2.106 416 E HA -0.190 4.160 4.350 0.001 0.000 0.192 416 E C 1.990 178.597 176.600 0.012 0.000 0.984 416 E CA 1.311 57.704 56.400 -0.012 0.000 0.806 416 E CB -0.128 29.580 29.700 0.012 0.000 0.750 416 E HN 0.650 nan 8.360 nan 0.000 0.458 417 E N 0.719 120.920 120.200 0.002 0.000 2.072 417 E HA -0.158 4.193 4.350 0.001 0.000 0.191 417 E C 1.847 178.460 176.600 0.021 0.000 0.985 417 E CA 0.441 56.855 56.400 0.022 0.000 0.801 417 E CB -0.130 29.564 29.700 -0.009 0.000 0.750 417 E HN 0.073 nan 8.360 nan 0.000 0.452 418 L N 1.268 122.470 121.223 -0.034 0.000 2.056 418 L HA -0.137 4.204 4.340 0.001 0.000 0.207 418 L C 1.796 178.656 176.870 -0.017 0.000 1.078 418 L CA 1.804 56.623 54.840 -0.034 0.000 0.749 418 L CB -0.357 41.639 42.059 -0.106 0.000 0.901 418 L HN 0.100 nan 8.230 nan 0.000 0.433 419 E N -1.265 118.882 120.200 -0.088 0.000 2.070 419 E HA -0.326 4.025 4.350 0.001 0.000 0.197 419 E C 2.347 179.042 176.600 0.157 0.000 1.004 419 E CA 1.702 58.057 56.400 -0.075 0.000 0.805 419 E CB -0.496 29.155 29.700 -0.081 0.000 0.744 419 E HN 0.704 nan 8.360 nan 0.000 0.451 420 C N 0.354 119.750 119.300 0.161 0.000 2.413 420 C HA -0.203 4.258 4.460 0.001 0.000 0.277 420 C C 2.488 177.671 174.990 0.322 0.000 1.228 420 C CA 0.917 60.091 59.018 0.261 0.000 1.731 420 C CB -1.221 26.687 27.740 0.280 0.000 2.042 420 C HN 0.481 nan 8.230 nan 0.000 0.468 421 F N 2.044 121.986 119.950 -0.014 0.000 2.095 421 F HA -0.023 4.504 4.527 0.002 0.000 0.298 421 F C 2.317 178.025 175.800 -0.153 0.000 1.104 421 F CA 1.975 59.744 58.000 -0.384 0.000 1.232 421 F CB -0.811 37.907 39.000 -0.470 0.000 0.987 421 F HN 0.282 nan 8.300 nan 0.000 0.475 422 A N -0.118 122.708 122.820 0.010 0.000 1.930 422 A HA -0.205 4.116 4.320 0.001 0.000 0.217 422 A C 2.171 179.851 177.584 0.161 0.000 1.175 422 A CA 1.727 53.811 52.037 0.079 0.000 0.627 422 A CB -0.917 18.274 19.000 0.319 0.000 0.815 422 A HN 0.492 nan 8.150 nan 0.000 0.443 423 M N -0.349 119.368 119.600 0.195 0.000 2.202 423 M HA -0.150 4.331 4.480 0.001 0.000 0.262 423 M C 0.940 177.096 176.300 -0.240 0.000 1.063 423 M CA 1.661 56.931 55.300 -0.051 0.000 1.097 423 M CB -0.485 31.985 32.600 -0.216 0.000 1.382 423 M HN 0.508 nan 8.290 nan 0.000 0.413 424 H N -1.003 118.141 119.070 0.124 0.000 2.528 424 H HA 0.412 4.969 4.556 0.001 0.000 0.282 424 H C -0.331 175.009 175.328 0.021 0.000 1.097 424 H CA -0.071 56.060 56.048 0.138 0.000 1.121 424 H CB -0.122 29.832 29.762 0.320 0.000 1.590 424 H HN 0.380 nan 8.280 nan 0.000 0.553 425 N N 0.505 119.166 118.700 -0.065 0.000 2.733 425 N HA 0.143 4.884 4.740 0.001 0.000 0.271 425 N C -0.050 175.422 175.510 -0.064 0.000 1.720 425 N CA 0.088 53.040 53.050 -0.164 0.000 0.803 425 N CB 1.648 39.786 38.487 -0.580 0.000 1.208 425 N HN 0.001 nan 8.380 nan 0.000 0.498 426 S N -0.493 115.233 115.700 0.043 0.000 2.818 426 S HA 0.057 4.527 4.470 0.001 0.000 0.251 426 S C 0.283 174.955 174.600 0.121 0.000 1.083 426 S CA -0.005 58.249 58.200 0.090 0.000 0.871 426 S CB 0.963 64.209 63.200 0.076 0.000 0.831 426 S HN 0.412 nan 8.310 nan 0.000 0.470 427 D N 0.472 120.943 120.400 0.118 0.000 2.348 427 D HA 0.356 4.997 4.640 0.001 0.000 0.249 427 D C 0.428 176.759 176.300 0.053 0.000 1.110 427 D CA -0.213 53.843 54.000 0.093 0.000 0.967 427 D CB 0.930 41.786 40.800 0.094 0.000 1.139 427 D HN -0.094 nan 8.370 nan 0.000 0.466 428 L N 1.108 122.295 121.223 -0.062 0.000 2.554 428 L HA 0.375 4.716 4.340 0.001 0.000 0.225 428 L C 1.409 177.901 176.870 -0.631 0.000 1.104 428 L CA 0.634 55.290 54.840 -0.307 0.000 0.866 428 L CB -0.726 41.275 42.059 -0.098 0.000 1.047 428 L HN 0.738 nan 8.230 nan 0.000 0.468 429 G N -0.175 108.470 108.800 -0.258 0.000 2.855 429 G HA2 -0.192 3.769 3.960 0.001 0.000 0.352 429 G HA3 -0.192 3.769 3.960 0.001 0.000 0.352 429 G C -2.624 172.250 174.900 -0.044 0.000 1.415 429 G CA -0.974 44.067 45.100 -0.099 0.000 0.871 429 G HN 0.037 nan 8.290 nan 0.000 0.543 430 P HA 0.340 nan 4.420 nan 0.000 0.268 430 P C -0.118 177.208 177.300 0.043 0.000 1.205 430 P CA 0.211 63.334 63.100 0.039 0.000 0.771 430 P CB 0.614 32.342 31.700 0.048 0.000 0.858 431 N N -0.654 118.089 118.700 0.072 0.000 2.591 431 N HA 0.396 5.137 4.740 0.001 0.000 0.263 431 N C 0.994 176.534 175.510 0.050 0.000 1.308 431 N CA -1.032 52.075 53.050 0.096 0.000 0.837 431 N CB 0.095 38.715 38.487 0.220 0.000 1.548 431 N HN 0.196 nan 8.380 nan 0.000 0.493 432 G N -0.983 107.794 108.800 -0.038 0.000 2.479 432 G HA2 -0.260 3.701 3.960 0.001 0.000 0.220 432 G HA3 -0.260 3.701 3.960 0.001 0.000 0.220 432 G C 0.497 175.314 174.900 -0.137 0.000 1.115 432 G CA 0.856 45.877 45.100 -0.131 0.000 0.757 432 G HN 0.689 nan 8.290 nan 0.000 0.560 433 H N -0.035 119.023 119.070 -0.021 0.000 2.548 433 H HA 0.165 4.722 4.556 0.001 0.000 0.265 433 H C 2.299 177.640 175.328 0.022 0.000 0.969 433 H CA 0.227 56.225 56.048 -0.084 0.000 1.155 433 H CB 0.006 29.576 29.762 -0.320 0.000 1.394 433 H HN 0.382 nan 8.280 nan 0.000 0.570 434 G N 0.715 109.618 108.800 0.172 0.000 2.203 434 G HA2 -0.324 3.637 3.960 0.001 0.000 0.263 434 G HA3 -0.324 3.637 3.960 0.001 0.000 0.263 434 G C -0.157 174.858 174.900 0.193 0.000 1.012 434 G CA 0.565 45.753 45.100 0.146 0.000 0.749 434 G HN 0.504 nan 8.290 nan 0.000 0.512 435 Y N 1.237 121.604 120.300 0.112 0.000 2.330 435 Y HA 0.738 5.289 4.550 0.001 0.000 0.336 435 Y C 0.431 176.387 175.900 0.093 0.000 1.036 435 Y CA -1.186 56.971 58.100 0.094 0.000 1.125 435 Y CB 0.826 39.356 38.460 0.117 0.000 1.194 435 Y HN 0.190 nan 8.280 nan 0.000 0.469 436 R N 4.806 125.125 120.500 -0.301 0.000 2.808 436 R HA 0.591 4.931 4.340 0.001 0.000 0.272 436 R C -1.112 174.991 176.300 -0.330 0.000 0.995 436 R CA -1.143 54.842 56.100 -0.192 0.000 0.917 436 R CB 2.116 32.371 30.300 -0.074 0.000 1.217 436 R HN 0.694 nan 8.270 nan 0.000 0.471 437 R N 0.875 121.306 120.500 -0.115 0.000 2.795 437 R HA 0.344 4.685 4.340 0.001 0.000 0.275 437 R C -0.352 175.992 176.300 0.074 0.000 0.981 437 R CA -0.967 55.122 56.100 -0.018 0.000 0.917 437 R CB 1.759 32.081 30.300 0.037 0.000 1.202 437 R HN 0.608 nan 8.270 nan 0.000 0.469 438 E N 1.498 121.779 120.200 0.136 0.000 2.436 438 E HA -0.005 4.346 4.350 0.001 0.000 0.262 438 E C -0.311 176.336 176.600 0.079 0.000 1.063 438 E CA 0.748 57.195 56.400 0.079 0.000 0.944 438 E CB 0.645 30.365 29.700 0.032 0.000 0.950 438 E HN 0.364 nan 8.360 nan 0.000 0.444 439 E N 0.405 120.650 120.200 0.076 0.000 2.363 439 E HA 0.118 4.469 4.350 0.001 0.000 0.281 439 E C -1.164 175.499 176.600 0.104 0.000 0.953 439 E CA -0.409 56.043 56.400 0.087 0.000 0.778 439 E CB 1.141 30.909 29.700 0.113 0.000 1.220 439 E HN 0.421 nan 8.360 nan 0.000 0.431 440 S N 3.106 118.870 115.700 0.107 0.000 3.587 440 S HA -0.201 4.270 4.470 0.001 0.000 0.337 440 S C 1.134 175.795 174.600 0.101 0.000 1.119 440 S CA 0.970 59.292 58.200 0.203 0.000 0.976 440 S CB -0.900 62.508 63.200 0.347 0.000 0.922 440 S HN 0.616 nan 8.310 nan 0.000 0.503 441 M N 0.900 120.515 119.600 0.025 0.000 2.108 441 M HA -0.106 4.375 4.480 0.001 0.000 0.261 441 M C 1.817 178.104 176.300 -0.022 0.000 1.066 441 M CA 1.666 56.961 55.300 -0.009 0.000 1.107 441 M CB -1.145 31.423 32.600 -0.054 0.000 1.356 441 M HN 0.280 nan 8.290 nan 0.000 0.406 442 D N 0.608 120.986 120.400 -0.037 0.000 2.144 442 D HA -0.110 4.531 4.640 0.001 0.000 0.199 442 D C 1.906 178.210 176.300 0.007 0.000 0.984 442 D CA 1.289 55.269 54.000 -0.033 0.000 0.834 442 D CB -0.270 40.507 40.800 -0.037 0.000 0.955 442 D HN 0.607 nan 8.370 nan 0.000 0.465 443 I N -2.037 118.557 120.570 0.041 0.000 3.603 443 I HA 0.039 4.210 4.170 0.001 0.000 0.297 443 I C 2.091 178.218 176.117 0.017 0.000 1.269 443 I CA 0.172 61.484 61.300 0.020 0.000 1.361 443 I CB -0.022 37.981 38.000 0.004 0.000 1.063 443 I HN -0.216 nan 8.210 nan 0.000 0.448 444 Q N 1.998 121.818 119.800 0.033 0.000 2.112 444 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 444 Q C -0.325 175.701 176.000 0.043 0.000 0.987 444 Q CA 2.525 58.352 55.803 0.041 0.000 0.858 444 Q CB -1.040 27.723 28.738 0.042 0.000 0.905 444 Q HN 0.438 nan 8.270 nan 0.000 0.420 445 P HA -0.094 nan 4.420 nan 0.000 0.215 445 P C 0.904 178.241 177.300 0.062 0.000 1.157 445 P CA 2.018 65.144 63.100 0.043 0.000 0.863 445 P CB -0.334 31.382 31.700 0.028 0.000 0.787 446 A N -0.026 122.823 122.820 0.048 0.000 1.933 446 A HA -0.125 4.196 4.320 0.001 0.000 0.218 446 A C 2.314 179.956 177.584 0.096 0.000 1.175 446 A CA 2.135 54.209 52.037 0.063 0.000 0.628 446 A CB -1.600 17.407 19.000 0.011 0.000 0.814 446 A HN 0.197 nan 8.150 nan 0.000 0.444 447 A N -0.431 122.427 122.820 0.065 0.000 1.873 447 A HA -0.136 4.185 4.320 0.001 0.000 0.215 447 A C 1.955 179.647 177.584 0.180 0.000 1.186 447 A CA 1.989 54.087 52.037 0.102 0.000 0.616 447 A CB -0.542 18.494 19.000 0.059 0.000 0.823 447 A HN 0.525 nan 8.150 nan 0.000 0.442 448 E N -0.183 120.096 120.200 0.132 0.000 2.038 448 E HA -0.186 4.165 4.350 0.001 0.000 0.195 448 E C 2.301 178.989 176.600 0.146 0.000 1.000 448 E CA 1.630 58.105 56.400 0.126 0.000 0.803 448 E CB -0.145 29.610 29.700 0.092 0.000 0.750 448 E HN 0.551 nan 8.360 nan 0.000 0.448 449 R N -0.800 119.792 120.500 0.153 0.000 2.081 449 R HA -0.150 4.191 4.340 0.001 0.000 0.235 449 R C 2.395 178.828 176.300 0.221 0.000 1.131 449 R CA 1.401 57.600 56.100 0.165 0.000 0.960 449 R CB -0.552 29.842 30.300 0.157 0.000 0.856 449 R HN 0.257 nan 8.270 nan 0.000 0.436 450 F N 1.360 121.384 119.950 0.122 0.000 2.075 450 F HA -0.215 4.312 4.527 0.001 0.000 0.297 450 F C 2.012 177.928 175.800 0.192 0.000 1.113 450 F CA 1.305 59.391 58.000 0.143 0.000 1.218 450 F CB -0.342 38.675 39.000 0.028 0.000 0.984 450 F HN -0.084 nan 8.300 nan 0.000 0.472 451 L N 0.932 122.240 121.223 0.143 0.000 2.093 451 L HA -0.120 4.221 4.340 0.001 0.000 0.208 451 L C 2.403 179.327 176.870 0.090 0.000 1.085 451 L CA 1.777 56.669 54.840 0.086 0.000 0.755 451 L CB -1.132 41.048 42.059 0.203 0.000 0.904 451 L HN 0.215 nan 8.230 nan 0.000 0.435 452 K N -0.956 119.504 120.400 0.100 0.000 2.026 452 K HA -0.149 4.172 4.320 0.001 0.000 0.208 452 K C 2.030 178.681 176.600 0.086 0.000 1.048 452 K CA 1.339 57.679 56.287 0.089 0.000 0.929 452 K CB -0.175 32.377 32.500 0.086 0.000 0.713 452 K HN 0.367 nan 8.250 nan 0.000 0.439 453 A N 0.564 123.443 122.820 0.098 0.000 1.902 453 A HA -0.179 4.142 4.320 0.001 0.000 0.217 453 A C 2.018 179.684 177.584 0.137 0.000 1.181 453 A CA 1.411 53.516 52.037 0.115 0.000 0.623 453 A CB -0.806 18.294 19.000 0.167 0.000 0.818 453 A HN 0.494 nan 8.150 nan 0.000 0.443 454 F N 1.639 121.551 119.950 -0.064 0.000 2.113 454 F HA -0.158 4.369 4.527 0.001 0.000 0.297 454 F C 2.261 178.151 175.800 0.149 0.000 1.103 454 F CA 2.095 60.084 58.000 -0.019 0.000 1.248 454 F CB -0.260 38.532 39.000 -0.347 0.000 0.999 454 F HN 0.327 nan 8.300 nan 0.000 0.475 455 K N 0.370 120.811 120.400 0.068 0.000 2.280 455 K HA -0.153 4.168 4.320 0.001 0.000 0.202 455 K C 1.155 177.798 176.600 0.072 0.000 1.047 455 K CA 2.083 58.399 56.287 0.047 0.000 0.942 455 K CB -0.722 31.816 32.500 0.064 0.000 0.739 455 K HN 0.388 nan 8.250 nan 0.000 0.457 456 E N 0.048 120.268 120.200 0.033 0.000 2.465 456 E HA 0.154 4.505 4.350 0.001 0.000 0.195 456 E C 0.446 177.014 176.600 -0.053 0.000 1.028 456 E CA 0.128 56.531 56.400 0.005 0.000 0.899 456 E CB 0.422 30.131 29.700 0.014 0.000 1.032 456 E HN 0.527 nan 8.360 nan 0.000 0.468 457 G N 2.467 111.199 108.800 -0.112 0.000 2.212 457 G HA2 -0.376 3.585 3.960 0.001 0.000 0.267 457 G HA3 -0.376 3.585 3.960 0.001 0.000 0.267 457 G C 0.234 175.076 174.900 -0.098 0.000 1.002 457 G CA 0.791 45.779 45.100 -0.188 0.000 0.729 457 G HN 0.214 nan 8.290 nan 0.000 0.517 458 K N 0.155 120.534 120.400 -0.036 0.000 2.174 458 K HA 0.297 4.618 4.320 0.001 0.000 0.275 458 K C 0.526 177.132 176.600 0.010 0.000 1.015 458 K CA -0.619 55.661 56.287 -0.013 0.000 0.933 458 K CB 0.287 32.794 32.500 0.011 0.000 1.025 458 K HN 0.346 nan 8.250 nan 0.000 0.463 459 N N 3.293 121.972 118.700 -0.036 0.000 2.452 459 N HA -0.010 4.731 4.740 0.001 0.000 0.266 459 N C -0.762 174.723 175.510 -0.041 0.000 1.175 459 N CA -0.270 52.713 53.050 -0.112 0.000 0.945 459 N CB 0.254 38.641 38.487 -0.167 0.000 1.063 459 N HN 0.366 nan 8.380 nan 0.000 0.472 460 Y N 0.271 120.643 120.300 0.121 0.000 2.757 460 Y HA -0.006 4.544 4.550 0.001 0.000 0.344 460 Y C 0.484 176.485 175.900 0.168 0.000 1.263 460 Y CA -0.828 57.373 58.100 0.168 0.000 1.493 460 Y CB 0.305 38.925 38.460 0.266 0.000 1.342 460 Y HN 0.396 nan 8.280 nan 0.000 0.627 461 D N 2.566 123.191 120.400 0.376 0.000 2.348 461 D HA -0.008 4.632 4.640 0.001 0.000 0.253 461 D C 0.948 177.477 176.300 0.382 0.000 1.161 461 D CA -0.136 54.023 54.000 0.265 0.000 0.876 461 D CB 1.121 42.044 40.800 0.205 0.000 1.160 461 D HN 0.790 nan 8.370 nan 0.000 0.459 462 K N 3.442 123.987 120.400 0.241 0.000 2.059 462 K HA -0.281 4.040 4.320 0.001 0.000 0.212 462 K C 1.568 178.324 176.600 0.260 0.000 1.050 462 K CA 1.624 58.061 56.287 0.250 0.000 0.927 462 K CB -0.194 32.377 32.500 0.119 0.000 0.714 462 K HN 0.495 nan 8.250 nan 0.000 0.447 463 A N 1.593 124.517 122.820 0.173 0.000 1.948 463 A HA -0.219 4.102 4.320 0.001 0.000 0.220 463 A C 1.696 179.354 177.584 0.124 0.000 1.177 463 A CA 2.201 54.311 52.037 0.121 0.000 0.636 463 A CB -0.525 18.521 19.000 0.077 0.000 0.815 463 A HN 0.471 nan 8.150 nan 0.000 0.449 464 D N -1.363 119.145 120.400 0.180 0.000 2.123 464 D HA -0.084 4.557 4.640 0.001 0.000 0.200 464 D C 1.623 177.949 176.300 0.044 0.000 0.976 464 D CA 1.006 55.087 54.000 0.135 0.000 0.831 464 D CB -0.518 40.420 40.800 0.230 0.000 0.974 464 D HN 0.468 nan 8.370 nan 0.000 0.469 465 F N 1.965 121.913 119.950 -0.003 0.000 2.065 465 F HA -0.218 4.310 4.527 0.001 0.000 0.298 465 F C 2.199 177.904 175.800 -0.157 0.000 1.112 465 F CA 1.712 59.598 58.000 -0.189 0.000 1.212 465 F CB -0.023 39.002 39.000 0.040 0.000 0.975 465 F HN -0.092 nan 8.300 nan 0.000 0.476 466 E N -0.851 119.448 120.200 0.164 0.000 2.110 466 E HA -0.196 4.155 4.350 0.001 0.000 0.193 466 E C 2.109 178.674 176.600 -0.058 0.000 0.988 466 E CA 1.766 58.202 56.400 0.060 0.000 0.804 466 E CB -0.328 29.443 29.700 0.118 0.000 0.745 466 E HN 0.384 nan 8.360 nan 0.000 0.458 467 T N 1.313 115.820 114.554 -0.078 0.000 2.746 467 T HA -0.136 4.215 4.350 0.001 0.000 0.267 467 T C 1.882 176.447 174.700 -0.225 0.000 1.039 467 T CA 0.898 62.945 62.100 -0.088 0.000 1.142 467 T CB -0.169 68.656 68.868 -0.072 0.000 0.866 467 T HN 0.094 nan 8.240 nan 0.000 0.444 468 L N 0.565 121.516 121.223 -0.454 0.000 1.994 468 L HA -0.147 4.193 4.340 0.001 0.000 0.208 468 L C 2.886 179.115 176.870 -1.068 0.000 1.071 468 L CA 1.489 55.801 54.840 -0.879 0.000 0.745 468 L CB -0.692 40.788 42.059 -0.965 0.000 0.892 468 L HN 0.266 nan 8.230 nan 0.000 0.431 469 Q N -0.521 118.878 119.800 -0.668 0.000 2.062 469 Q HA -0.310 4.031 4.340 0.001 0.000 0.209 469 Q C 2.260 178.132 176.000 -0.213 0.000 0.996 469 Q CA 2.439 58.026 55.803 -0.361 0.000 0.859 469 Q CB -0.383 28.222 28.738 -0.222 0.000 0.920 469 Q HN 0.466 nan 8.270 nan 0.000 0.415 470 Y N 0.628 120.779 120.300 -0.248 0.000 2.151 470 Y HA -0.266 4.285 4.550 0.001 0.000 0.284 470 Y C 2.176 177.978 175.900 -0.164 0.000 1.166 470 Y CA 2.165 60.173 58.100 -0.153 0.000 1.163 470 Y CB -0.639 37.749 38.460 -0.119 0.000 0.974 470 Y HN 0.087 nan 8.280 nan 0.000 0.511 471 T N 0.858 115.152 114.554 -0.434 0.000 2.737 471 T HA -0.143 4.208 4.350 0.001 0.000 0.265 471 T C 1.555 176.035 174.700 -0.368 0.000 1.038 471 T CA 1.639 63.449 62.100 -0.483 0.000 1.144 471 T CB -0.572 68.025 68.868 -0.451 0.000 0.866 471 T HN 0.254 nan 8.240 nan 0.000 0.434 472 F N 1.598 121.366 119.950 -0.303 0.000 2.171 472 F HA 0.023 4.551 4.527 0.001 0.000 0.300 472 F C 2.470 178.116 175.800 -0.256 0.000 1.090 472 F CA 0.386 58.206 58.000 -0.300 0.000 1.293 472 F CB -0.986 37.846 39.000 -0.279 0.000 1.013 472 F HN 0.274 nan 8.300 nan 0.000 0.486 473 E N 0.264 120.423 120.200 -0.069 0.000 2.077 473 E HA -0.263 4.088 4.350 0.001 0.000 0.193 473 E C 2.425 178.948 176.600 -0.129 0.000 0.989 473 E CA 1.122 57.471 56.400 -0.086 0.000 0.800 473 E CB -0.010 29.649 29.700 -0.069 0.000 0.746 473 E HN 0.079 nan 8.360 nan 0.000 0.452 474 R N 0.255 120.597 120.500 -0.264 0.000 2.092 474 R HA -0.050 4.291 4.340 0.001 0.000 0.231 474 R C 2.259 178.540 176.300 -0.031 0.000 1.119 474 R CA 1.640 57.615 56.100 -0.209 0.000 0.970 474 R CB -0.292 29.767 30.300 -0.401 0.000 0.864 474 R HN 0.273 nan 8.270 nan 0.000 0.440 475 M N 0.149 119.720 119.600 -0.048 0.000 2.080 475 M HA -0.215 4.266 4.480 0.001 0.000 0.260 475 M C 1.965 178.302 176.300 0.060 0.000 1.068 475 M CA 2.015 57.314 55.300 -0.002 0.000 1.109 475 M CB -0.239 32.103 32.600 -0.429 0.000 1.342 475 M HN 0.047 nan 8.290 nan 0.000 0.405 476 K N -0.026 120.360 120.400 -0.024 0.000 2.057 476 K HA -0.132 4.188 4.320 0.001 0.000 0.206 476 K C 1.838 178.461 176.600 0.037 0.000 1.050 476 K CA 1.267 57.556 56.287 0.003 0.000 0.935 476 K CB -0.241 32.241 32.500 -0.030 0.000 0.715 476 K HN 0.426 nan 8.250 nan 0.000 0.439 477 E N 0.839 121.054 120.200 0.025 0.000 2.049 477 E HA -0.174 4.177 4.350 0.001 0.000 0.198 477 E C 2.185 178.813 176.600 0.047 0.000 1.007 477 E CA 1.691 58.107 56.400 0.026 0.000 0.809 477 E CB -0.007 29.701 29.700 0.012 0.000 0.749 477 E HN 0.175 nan 8.360 nan 0.000 0.450 478 S N 0.702 116.459 115.700 0.096 0.000 2.356 478 S HA -0.193 4.278 4.470 0.001 0.000 0.223 478 S C 2.134 176.772 174.600 0.064 0.000 1.032 478 S CA 0.992 59.257 58.200 0.108 0.000 1.005 478 S CB -0.313 63.020 63.200 0.222 0.000 0.867 478 S HN 0.404 nan 8.310 nan 0.000 0.449 479 A N 2.333 125.248 122.820 0.158 0.000 1.883 479 A HA -0.198 4.122 4.320 0.001 0.000 0.217 479 A C 1.863 179.434 177.584 -0.021 0.000 1.186 479 A CA 1.854 53.937 52.037 0.075 0.000 0.624 479 A CB -0.786 18.350 19.000 0.228 0.000 0.822 479 A HN 0.374 nan 8.150 nan 0.000 0.444 480 D N -0.315 120.092 120.400 0.011 0.000 2.178 480 D HA -0.065 4.576 4.640 0.001 0.000 0.202 480 D C 1.882 178.162 176.300 -0.033 0.000 0.974 480 D CA 1.047 55.042 54.000 -0.009 0.000 0.841 480 D CB -0.230 40.574 40.800 0.006 0.000 0.953 480 D HN 0.539 nan 8.370 nan 0.000 0.478 481 I N 0.467 121.017 120.570 -0.034 0.000 2.286 481 I HA -0.181 3.990 4.170 0.001 0.000 0.245 481 I C 2.401 178.469 176.117 -0.081 0.000 1.104 481 I CA 0.463 61.736 61.300 -0.046 0.000 1.397 481 I CB -0.056 37.926 38.000 -0.031 0.000 1.072 481 I HN -0.069 nan 8.210 nan 0.000 0.417 482 L N 0.222 121.374 121.223 -0.119 0.000 2.042 482 L HA -0.244 4.097 4.340 0.001 0.000 0.210 482 L C 2.549 179.310 176.870 -0.182 0.000 1.076 482 L CA 1.370 56.100 54.840 -0.184 0.000 0.749 482 L CB -0.543 41.330 42.059 -0.310 0.000 0.893 482 L HN 0.278 nan 8.230 nan 0.000 0.432 483 L N -1.019 120.102 121.223 -0.170 0.000 2.079 483 L HA -0.236 4.105 4.340 0.001 0.000 0.210 483 L C 2.334 179.144 176.870 -0.101 0.000 1.081 483 L CA 1.155 55.902 54.840 -0.154 0.000 0.752 483 L CB -0.243 41.744 42.059 -0.120 0.000 0.896 483 L HN 0.375 nan 8.230 nan 0.000 0.433 484 M N -1.235 118.318 119.600 -0.078 0.000 2.495 484 M HA 0.048 4.529 4.480 0.001 0.000 0.237 484 M C 0.631 176.895 176.300 -0.061 0.000 1.131 484 M CA 0.141 55.407 55.300 -0.057 0.000 1.032 484 M CB -1.040 31.536 32.600 -0.040 0.000 1.513 484 M HN 0.167 nan 8.290 nan 0.000 0.488 485 N N 2.076 120.729 118.700 -0.078 0.000 2.483 485 N HA -0.014 4.727 4.740 0.001 0.000 0.264 485 N C 0.509 175.976 175.510 -0.072 0.000 1.197 485 N CA 0.813 53.818 53.050 -0.076 0.000 0.927 485 N CB 1.121 39.552 38.487 -0.093 0.000 1.065 485 N HN 0.230 nan 8.380 nan 0.000 0.461 486 T N -0.330 114.188 114.554 -0.060 0.000 3.085 486 T HA 0.101 4.452 4.350 0.001 0.000 0.264 486 T C 1.139 175.805 174.700 -0.057 0.000 1.019 486 T CA -0.284 61.783 62.100 -0.055 0.000 0.910 486 T CB 0.200 69.042 68.868 -0.043 0.000 1.059 486 T HN 0.632 nan 8.240 nan 0.000 0.542 487 E N 1.807 121.970 120.200 -0.063 0.000 2.107 487 E HA -0.041 4.309 4.350 0.001 0.000 0.191 487 E C 0.571 177.129 176.600 -0.071 0.000 0.982 487 E CA 0.526 56.889 56.400 -0.062 0.000 0.809 487 E CB 0.195 29.857 29.700 -0.062 0.000 0.756 487 E HN 0.352 nan 8.360 nan 0.000 0.459 488 N N 0.280 118.929 118.700 -0.085 0.000 2.762 488 N HA 0.101 4.842 4.740 0.001 0.000 0.252 488 N C -0.363 175.088 175.510 -0.098 0.000 1.269 488 N CA -0.105 52.885 53.050 -0.099 0.000 0.799 488 N CB 0.817 39.231 38.487 -0.122 0.000 1.173 488 N HN 0.018 nan 8.380 nan 0.000 0.516 489 K N 0.915 121.266 120.400 -0.083 0.000 2.057 489 K HA -0.058 4.262 4.320 0.001 0.000 0.207 489 K C -1.006 175.547 176.600 -0.079 0.000 1.049 489 K CA 1.411 57.653 56.287 -0.074 0.000 0.931 489 K CB -0.305 32.161 32.500 -0.057 0.000 0.714 489 K HN 0.359 nan 8.250 nan 0.000 0.440 490 P HA -0.162 nan 4.420 nan 0.000 0.217 490 P C 1.309 178.549 177.300 -0.100 0.000 1.150 490 P CA 0.801 63.848 63.100 -0.087 0.000 0.832 490 P CB 0.096 31.731 31.700 -0.109 0.000 0.787 491 L N -0.728 120.419 121.223 -0.127 0.000 2.012 491 L HA -0.172 4.169 4.340 0.001 0.000 0.210 491 L C 1.983 178.778 176.870 -0.127 0.000 1.073 491 L CA 2.063 56.820 54.840 -0.137 0.000 0.748 491 L CB -1.207 40.758 42.059 -0.156 0.000 0.891 491 L HN -0.150 nan 8.230 nan 0.000 0.431 492 I N -0.976 119.519 120.570 -0.125 0.000 2.226 492 I HA -0.220 3.951 4.170 0.001 0.000 0.245 492 I C 2.628 178.682 176.117 -0.106 0.000 1.100 492 I CA 1.175 62.393 61.300 -0.137 0.000 1.374 492 I CB -1.488 36.433 38.000 -0.132 0.000 1.057 492 I HN 0.116 nan 8.210 nan 0.000 0.413 493 V N 1.014 120.886 119.914 -0.070 0.000 2.282 493 V HA -0.302 3.819 4.120 0.001 0.000 0.249 493 V C 2.511 178.605 176.094 0.001 0.000 1.057 493 V CA 1.910 64.192 62.300 -0.030 0.000 1.032 493 V CB -0.708 31.107 31.823 -0.013 0.000 0.645 493 V HN 0.431 nan 8.190 nan 0.000 0.447 494 E N 0.057 120.251 120.200 -0.010 0.000 2.058 494 E HA -0.227 4.124 4.350 0.001 0.000 0.194 494 E C 2.040 178.630 176.600 -0.017 0.000 0.997 494 E CA 1.999 58.404 56.400 0.008 0.000 0.801 494 E CB -0.248 29.426 29.700 -0.044 0.000 0.746 494 E HN 0.839 nan 8.360 nan 0.000 0.450 495 I N -1.985 118.551 120.570 -0.057 0.000 3.578 495 I HA 0.044 4.215 4.170 0.001 0.000 0.295 495 I C 1.848 178.008 176.117 0.073 0.000 1.280 495 I CA 0.382 61.686 61.300 0.006 0.000 1.347 495 I CB 0.012 37.949 38.000 -0.106 0.000 1.051 495 I HN -0.136 nan 8.210 nan 0.000 0.460 496 T N 2.807 117.342 114.554 -0.032 0.000 2.665 496 T HA -0.081 4.270 4.350 0.001 0.000 0.268 496 T C -0.352 174.255 174.700 -0.155 0.000 1.035 496 T CA 2.391 64.385 62.100 -0.177 0.000 1.151 496 T CB -1.108 67.662 68.868 -0.164 0.000 0.862 496 T HN 0.375 nan 8.240 nan 0.000 0.438 497 P HA -0.075 nan 4.420 nan 0.000 0.216 497 P C 1.302 178.534 177.300 -0.113 0.000 1.150 497 P CA 0.977 64.022 63.100 -0.091 0.000 0.837 497 P CB -0.178 31.317 31.700 -0.342 0.000 0.786 498 W N -0.722 120.590 121.300 0.021 0.000 2.418 498 W HA -0.059 4.602 4.660 0.001 0.000 0.292 498 W C 1.966 178.616 176.519 0.218 0.000 1.213 498 W CA 0.631 58.057 57.345 0.135 0.000 1.283 498 W CB -0.957 28.623 29.460 0.200 0.000 1.119 498 W HN -0.197 nan 8.180 nan 0.000 0.542 499 V N -0.076 119.942 119.914 0.174 0.000 2.343 499 V HA -0.312 3.809 4.120 0.001 0.000 0.247 499 V C 2.263 178.404 176.094 0.079 0.000 1.051 499 V CA 1.817 64.065 62.300 -0.088 0.000 1.036 499 V CB -1.034 30.512 31.823 -0.461 0.000 0.654 499 V HN 0.140 nan 8.190 nan 0.000 0.451 500 H N -0.394 118.711 119.070 0.059 0.000 2.353 500 H HA -0.173 4.384 4.556 0.001 0.000 0.300 500 H C 2.371 177.728 175.328 0.049 0.000 1.090 500 H CA 2.121 58.185 56.048 0.026 0.000 1.327 500 H CB -0.215 29.530 29.762 -0.027 0.000 1.383 500 H HN 0.404 nan 8.280 nan 0.000 0.508 501 Q N 0.126 120.039 119.800 0.188 0.000 2.119 501 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 501 Q C 2.200 178.307 176.000 0.179 0.000 0.972 501 Q CA 1.101 56.972 55.803 0.113 0.000 0.847 501 Q CB -0.511 28.247 28.738 0.032 0.000 0.903 501 Q HN 0.344 nan 8.270 nan 0.000 0.433 502 F N 0.781 120.813 119.950 0.137 0.000 2.134 502 F HA -0.151 4.377 4.527 0.001 0.000 0.299 502 F C 2.083 177.926 175.800 0.071 0.000 1.097 502 F CA 1.823 59.919 58.000 0.160 0.000 1.264 502 F CB -0.153 39.082 39.000 0.392 0.000 1.001 502 F HN 0.024 nan 8.300 nan 0.000 0.479 503 K N 0.379 120.891 120.400 0.188 0.000 2.057 503 K HA -0.177 4.144 4.320 0.001 0.000 0.207 503 K C 2.167 178.713 176.600 -0.089 0.000 1.049 503 K CA 1.759 58.056 56.287 0.016 0.000 0.931 503 K CB -0.390 32.160 32.500 0.084 0.000 0.714 503 K HN 0.365 nan 8.250 nan 0.000 0.440 504 L N 0.514 121.703 121.223 -0.057 0.000 2.042 504 L HA -0.215 4.126 4.340 0.001 0.000 0.210 504 L C 2.451 179.192 176.870 -0.215 0.000 1.076 504 L CA 1.718 56.482 54.840 -0.126 0.000 0.749 504 L CB -0.711 41.294 42.059 -0.091 0.000 0.893 504 L HN 0.284 nan 8.230 nan 0.000 0.432 505 T N -0.149 114.281 114.554 -0.207 0.000 2.684 505 T HA -0.244 4.107 4.350 0.001 0.000 0.267 505 T C 1.988 176.413 174.700 -0.458 0.000 1.036 505 T CA 1.498 63.423 62.100 -0.291 0.000 1.148 505 T CB -0.341 68.392 68.868 -0.225 0.000 0.863 505 T HN 0.478 nan 8.240 nan 0.000 0.436 506 A N 1.514 124.062 122.820 -0.453 0.000 1.902 506 A HA -0.136 4.185 4.320 0.001 0.000 0.217 506 A C 2.230 179.510 177.584 -0.507 0.000 1.181 506 A CA 1.638 53.374 52.037 -0.501 0.000 0.623 506 A CB -0.559 18.235 19.000 -0.343 0.000 0.818 506 A HN 0.584 nan 8.150 nan 0.000 0.443 507 E N -0.967 119.016 120.200 -0.362 0.000 2.077 507 E HA -0.219 4.132 4.350 0.001 0.000 0.193 507 E C 2.053 178.386 176.600 -0.444 0.000 0.989 507 E CA 1.366 57.564 56.400 -0.337 0.000 0.800 507 E CB -0.273 29.270 29.700 -0.262 0.000 0.746 507 E HN 0.722 nan 8.360 nan 0.000 0.452 508 M N 0.544 119.861 119.600 -0.472 0.000 2.108 508 M HA -0.135 4.345 4.480 0.001 0.000 0.261 508 M C 2.229 178.195 176.300 -0.557 0.000 1.066 508 M CA 2.034 57.041 55.300 -0.488 0.000 1.107 508 M CB -0.296 32.046 32.600 -0.429 0.000 1.356 508 M HN 0.165 nan 8.290 nan 0.000 0.406 509 G N 0.009 108.297 108.800 -0.854 0.000 2.446 509 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 509 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 509 G C 1.234 175.666 174.900 -0.781 0.000 1.168 509 G CA 1.190 45.498 45.100 -1.321 0.000 0.771 509 G HN 0.610 nan 8.290 nan 0.000 0.551 510 E N 0.165 120.016 120.200 -0.581 0.000 2.058 510 E HA -0.127 4.224 4.350 0.001 0.000 0.194 510 E C 2.551 179.062 176.600 -0.148 0.000 0.997 510 E CA 1.047 57.336 56.400 -0.186 0.000 0.801 510 E CB -0.053 29.572 29.700 -0.125 0.000 0.746 510 E HN 0.326 nan 8.360 nan 0.000 0.450 511 E N 0.460 120.521 120.200 -0.233 0.000 2.072 511 E HA -0.130 4.221 4.350 0.001 0.000 0.191 511 E C 2.335 178.859 176.600 -0.127 0.000 0.985 511 E CA 0.607 56.894 56.400 -0.188 0.000 0.801 511 E CB -0.276 29.234 29.700 -0.317 0.000 0.750 511 E HN 0.116 nan 8.360 nan 0.000 0.452 512 V N 1.644 121.472 119.914 -0.144 0.000 2.343 512 V HA -0.231 3.890 4.120 0.001 0.000 0.247 512 V C 2.514 178.628 176.094 0.033 0.000 1.051 512 V CA 1.304 63.588 62.300 -0.027 0.000 1.036 512 V CB -0.502 31.309 31.823 -0.020 0.000 0.654 512 V HN 0.209 nan 8.190 nan 0.000 0.451 513 L N -0.630 120.587 121.223 -0.010 0.000 2.131 513 L HA -0.202 4.139 4.340 0.001 0.000 0.210 513 L C 2.518 179.562 176.870 0.290 0.000 1.092 513 L CA 1.593 56.467 54.840 0.058 0.000 0.759 513 L CB -0.592 41.312 42.059 -0.258 0.000 0.903 513 L HN 0.292 nan 8.230 nan 0.000 0.435 514 K N -0.341 120.182 120.400 0.205 0.000 2.148 514 K HA -0.107 4.214 4.320 0.001 0.000 0.204 514 K C 2.136 178.923 176.600 0.311 0.000 1.050 514 K CA 1.209 57.678 56.287 0.302 0.000 0.942 514 K CB -0.055 32.593 32.500 0.246 0.000 0.724 514 K HN 0.266 nan 8.250 nan 0.000 0.446 515 M N 0.021 119.715 119.600 0.157 0.000 2.175 515 M HA -0.152 4.329 4.480 0.001 0.000 0.264 515 M C 2.086 178.651 176.300 0.441 0.000 1.063 515 M CA 1.158 56.533 55.300 0.125 0.000 1.119 515 M CB -0.132 32.370 32.600 -0.163 0.000 1.377 515 M HN -0.074 nan 8.290 nan 0.000 0.415 516 V N 0.599 120.747 119.914 0.389 0.000 2.287 516 V HA -0.281 3.840 4.120 0.001 0.000 0.248 516 V C 2.141 178.525 176.094 0.483 0.000 1.053 516 V CA 1.990 64.555 62.300 0.442 0.000 1.027 516 V CB -0.666 31.334 31.823 0.296 0.000 0.646 516 V HN 0.484 nan 8.190 nan 0.000 0.447 517 E N -0.076 120.375 120.200 0.419 0.000 2.072 517 E HA -0.010 4.340 4.350 0.001 0.000 0.190 517 E C 1.575 178.376 176.600 0.335 0.000 0.982 517 E CA 0.611 57.197 56.400 0.311 0.000 0.803 517 E CB -0.333 29.516 29.700 0.248 0.000 0.755 517 E HN 0.661 nan 8.360 nan 0.000 0.453 518 G N 3.116 112.180 108.800 0.439 0.000 2.396 518 G HA2 -0.360 3.601 3.960 0.001 0.000 0.288 518 G HA3 -0.360 3.601 3.960 0.001 0.000 0.288 518 G C 0.730 175.865 174.900 0.392 0.000 0.926 518 G CA 0.946 46.363 45.100 0.527 0.000 1.211 518 G HN 0.327 nan 8.290 nan 0.000 0.496 519 R N 0.369 121.012 120.500 0.239 0.000 2.196 519 R HA -0.284 4.057 4.340 0.001 0.000 0.244 519 R C 1.004 177.415 176.300 0.185 0.000 1.121 519 R CA 2.062 58.236 56.100 0.123 0.000 0.930 519 R CB -0.811 29.452 30.300 -0.061 0.000 0.890 519 R HN 0.860 nan 8.270 nan 0.000 0.435 520 N N -1.582 117.267 118.700 0.249 0.000 2.902 520 N HA 0.087 4.828 4.740 0.001 0.000 0.268 520 N C -0.013 175.656 175.510 0.265 0.000 1.450 520 N CA -0.699 52.488 53.050 0.228 0.000 0.819 520 N CB 1.150 39.732 38.487 0.158 0.000 1.540 520 N HN 0.070 nan 8.380 nan 0.000 0.545 521 E N -0.373 119.905 120.200 0.130 0.000 2.047 521 E HA -0.199 4.152 4.350 0.001 0.000 0.191 521 E C 1.297 177.985 176.600 0.147 0.000 0.987 521 E CA 1.859 58.275 56.400 0.027 0.000 0.799 521 E CB -0.061 29.473 29.700 -0.276 0.000 0.752 521 E HN 0.661 nan 8.360 nan 0.000 0.449 522 S N -0.521 115.260 115.700 0.135 0.000 2.402 522 S HA -0.190 4.280 4.470 0.001 0.000 0.229 522 S C 2.015 176.716 174.600 0.168 0.000 1.021 522 S CA 0.846 59.123 58.200 0.128 0.000 0.974 522 S CB -0.602 62.660 63.200 0.103 0.000 0.800 522 S HN 0.462 nan 8.310 nan 0.000 0.484 523 Y N 1.394 121.760 120.300 0.111 0.000 2.200 523 Y HA -0.003 4.548 4.550 0.001 0.000 0.290 523 Y C 2.002 177.980 175.900 0.130 0.000 1.137 523 Y CA 1.291 59.459 58.100 0.112 0.000 1.163 523 Y CB -0.674 37.861 38.460 0.124 0.000 0.988 523 Y HN 0.314 nan 8.280 nan 0.000 0.518 524 F N 0.118 120.129 119.950 0.101 0.000 2.095 524 F HA -0.270 4.258 4.527 0.001 0.000 0.298 524 F C 1.913 177.614 175.800 -0.165 0.000 1.104 524 F CA 1.902 59.886 58.000 -0.027 0.000 1.232 524 F CB -0.490 38.505 39.000 -0.008 0.000 0.987 524 F HN 0.013 nan 8.300 nan 0.000 0.475 525 L N -0.112 121.148 121.223 0.061 0.000 2.083 525 L HA -0.204 4.137 4.340 0.001 0.000 0.209 525 L C 2.615 179.476 176.870 -0.015 0.000 1.083 525 L CA 1.313 56.148 54.840 -0.008 0.000 0.752 525 L CB -0.681 41.387 42.059 0.015 0.000 0.899 525 L HN 0.056 nan 8.230 nan 0.000 0.433 526 R N -0.066 120.386 120.500 -0.081 0.000 2.073 526 R HA -0.140 4.200 4.340 0.001 0.000 0.234 526 R C 2.396 178.592 176.300 -0.173 0.000 1.134 526 R CA 1.154 57.179 56.100 -0.125 0.000 0.952 526 R CB -0.159 30.039 30.300 -0.170 0.000 0.850 526 R HN 0.225 nan 8.270 nan 0.000 0.433 527 K N 0.037 120.246 120.400 -0.318 0.000 2.026 527 K HA -0.199 4.122 4.320 0.001 0.000 0.208 527 K C 1.984 178.471 176.600 -0.188 0.000 1.048 527 K CA 1.385 57.496 56.287 -0.293 0.000 0.929 527 K CB -0.695 31.550 32.500 -0.424 0.000 0.713 527 K HN 0.280 nan 8.250 nan 0.000 0.439 528 Y N 2.953 123.034 120.300 -0.366 0.000 2.128 528 Y HA -0.245 4.306 4.550 0.001 0.000 0.284 528 Y C 1.849 177.714 175.900 -0.057 0.000 1.154 528 Y CA 1.705 59.684 58.100 -0.202 0.000 1.149 528 Y CB -0.278 38.010 38.460 -0.288 0.000 0.976 528 Y HN 0.121 nan 8.280 nan 0.000 0.505 529 N N -0.748 117.936 118.700 -0.027 0.000 2.188 529 N HA -0.213 4.528 4.740 0.001 0.000 0.184 529 N C 1.861 177.315 175.510 -0.093 0.000 1.018 529 N CA 1.683 54.685 53.050 -0.079 0.000 0.858 529 N CB -0.767 37.731 38.487 0.018 0.000 0.989 529 N HN 0.644 nan 8.380 nan 0.000 0.426 530 H N 0.331 119.284 119.070 -0.195 0.000 2.353 530 H HA -0.017 4.540 4.556 0.001 0.000 0.300 530 H C 1.824 177.003 175.328 -0.249 0.000 1.090 530 H CA 0.948 56.876 56.048 -0.200 0.000 1.327 530 H CB 0.406 30.057 29.762 -0.185 0.000 1.383 530 H HN -0.092 nan 8.280 nan 0.000 0.508 531 V N 1.306 121.070 119.914 -0.250 0.000 2.343 531 V HA -0.249 3.872 4.120 0.001 0.000 0.247 531 V C 2.368 178.196 176.094 -0.442 0.000 1.051 531 V CA 1.589 63.639 62.300 -0.416 0.000 1.036 531 V CB -0.338 31.213 31.823 -0.453 0.000 0.654 531 V HN 0.362 nan 8.190 nan 0.000 0.451 532 K N 0.645 120.787 120.400 -0.430 0.000 2.063 532 K HA -0.109 4.211 4.320 0.001 0.000 0.208 532 K C 2.259 178.700 176.600 -0.265 0.000 1.048 532 K CA 1.743 57.814 56.287 -0.360 0.000 0.928 532 K CB -1.022 31.272 32.500 -0.344 0.000 0.713 532 K HN 0.498 nan 8.250 nan 0.000 0.442 533 A N 1.054 123.752 122.820 -0.204 0.000 1.898 533 A HA -0.075 4.246 4.320 0.001 0.000 0.216 533 A C 2.351 179.836 177.584 -0.166 0.000 1.181 533 A CA 1.094 53.035 52.037 -0.159 0.000 0.620 533 A CB -0.573 18.387 19.000 -0.068 0.000 0.819 533 A HN 0.195 nan 8.150 nan 0.000 0.442 534 L N -0.867 120.241 121.223 -0.192 0.000 2.093 534 L HA -0.241 4.100 4.340 0.001 0.000 0.208 534 L C 2.833 179.578 176.870 -0.208 0.000 1.085 534 L CA 1.418 56.130 54.840 -0.214 0.000 0.755 534 L CB -0.569 41.304 42.059 -0.311 0.000 0.904 534 L HN 0.470 nan 8.230 nan 0.000 0.435 535 Q N -0.380 119.271 119.800 -0.248 0.000 2.084 535 Q HA -0.254 4.087 4.340 0.001 0.000 0.202 535 Q C 2.292 178.211 176.000 -0.136 0.000 0.978 535 Q CA 1.519 57.206 55.803 -0.193 0.000 0.844 535 Q CB -0.113 28.495 28.738 -0.217 0.000 0.898 535 Q HN 0.560 nan 8.270 nan 0.000 0.426 536 Q N 0.266 119.897 119.800 -0.280 0.000 2.084 536 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 536 Q C 2.099 178.078 176.000 -0.036 0.000 0.978 536 Q CA 1.252 56.783 55.803 -0.454 0.000 0.844 536 Q CB -0.005 28.335 28.738 -0.663 0.000 0.898 536 Q HN 0.449 nan 8.270 nan 0.000 0.426 537 Q N -0.066 119.713 119.800 -0.035 0.000 2.119 537 Q HA -0.118 4.223 4.340 0.001 0.000 0.201 537 Q C 2.087 178.103 176.000 0.028 0.000 0.972 537 Q CA 1.164 56.986 55.803 0.031 0.000 0.847 537 Q CB -0.066 28.644 28.738 -0.046 0.000 0.903 537 Q HN 0.459 nan 8.270 nan 0.000 0.433 538 M N -0.406 119.182 119.600 -0.020 0.000 2.175 538 M HA -0.146 4.335 4.480 0.001 0.000 0.264 538 M C 2.009 178.299 176.300 -0.016 0.000 1.063 538 M CA 1.251 56.531 55.300 -0.033 0.000 1.119 538 M CB -0.347 32.219 32.600 -0.056 0.000 1.377 538 M HN 0.180 nan 8.290 nan 0.000 0.415 539 F N 0.506 120.371 119.950 -0.141 0.000 2.095 539 F HA -0.282 4.246 4.527 0.001 0.000 0.298 539 F C 1.937 177.573 175.800 -0.274 0.000 1.104 539 F CA 1.749 59.625 58.000 -0.207 0.000 1.232 539 F CB -0.534 38.345 39.000 -0.201 0.000 0.987 539 F HN 0.008 nan 8.300 nan 0.000 0.475 540 Y N 0.146 120.443 120.300 -0.004 0.000 2.293 540 Y HA -0.173 4.378 4.550 0.002 0.000 0.291 540 Y C 2.410 178.193 175.900 -0.196 0.000 1.137 540 Y CA 1.467 59.489 58.100 -0.129 0.000 1.202 540 Y CB -0.449 38.000 38.460 -0.018 0.000 0.990 540 Y HN 0.070 nan 8.280 nan 0.000 0.537 541 I N -0.180 120.358 120.570 -0.054 0.000 2.226 541 I HA -0.305 3.866 4.170 0.001 0.000 0.245 541 I C 1.966 177.959 176.117 -0.208 0.000 1.100 541 I CA 1.743 62.970 61.300 -0.122 0.000 1.374 541 I CB -0.338 37.594 38.000 -0.113 0.000 1.057 541 I HN 0.166 nan 8.210 nan 0.000 0.413 542 D N 0.185 120.430 120.400 -0.259 0.000 2.264 542 D HA -0.164 4.477 4.640 0.001 0.000 0.208 542 D C 2.073 178.170 176.300 -0.338 0.000 0.966 542 D CA 0.999 54.823 54.000 -0.293 0.000 0.864 542 D CB 0.187 40.829 40.800 -0.265 0.000 0.933 542 D HN 0.230 nan 8.370 nan 0.000 0.499 543 Q N -1.327 118.214 119.800 -0.433 0.000 2.384 543 Q HA 0.099 4.440 4.340 0.001 0.000 0.207 543 Q C 1.611 177.496 176.000 -0.192 0.000 0.904 543 Q CA 0.919 56.497 55.803 -0.375 0.000 0.933 543 Q CB 0.897 29.282 28.738 -0.589 0.000 1.077 543 Q HN 0.473 nan 8.270 nan 0.000 0.522 544 T N -4.326 110.138 114.554 -0.150 0.000 2.955 544 T HA 0.255 4.606 4.350 0.001 0.000 0.251 544 T C 0.962 175.607 174.700 -0.090 0.000 1.002 544 T CA -0.217 61.833 62.100 -0.084 0.000 0.970 544 T CB 0.412 69.256 68.868 -0.040 0.000 1.091 544 T HN -0.141 nan 8.240 nan 0.000 0.495 545 S N 2.582 118.201 115.700 -0.135 0.000 2.565 545 S HA 0.534 5.005 4.470 0.001 0.000 0.290 545 S C 0.113 174.617 174.600 -0.160 0.000 1.150 545 S CA -0.444 57.665 58.200 -0.152 0.000 1.058 545 S CB 0.948 64.013 63.200 -0.225 0.000 1.032 545 S HN 0.570 nan 8.310 nan 0.000 0.510 546 N N 1.816 120.456 118.700 -0.101 0.000 2.714 546 N HA -0.159 4.582 4.740 0.001 0.000 0.253 546 N C -0.719 174.780 175.510 -0.017 0.000 1.024 546 N CA 0.326 53.358 53.050 -0.031 0.000 0.726 546 N CB -0.667 37.763 38.487 -0.095 0.000 0.908 546 N HN 0.442 nan 8.380 nan 0.000 0.542 547 Q N 0.630 120.417 119.800 -0.021 0.000 3.181 547 Q HA 0.118 4.459 4.340 0.001 0.000 0.293 547 Q C 0.206 176.197 176.000 -0.015 0.000 1.406 547 Q CA -0.123 55.661 55.803 -0.031 0.000 1.026 547 Q CB -0.746 27.965 28.738 -0.044 0.000 1.630 547 Q HN 0.758 nan 8.270 nan 0.000 0.553 548 N N -1.229 117.476 118.700 0.009 0.000 2.434 548 N HA 0.274 5.014 4.740 0.001 0.000 0.266 548 N C -2.095 173.351 175.510 -0.108 0.000 1.223 548 N CA -1.336 51.717 53.050 0.005 0.000 0.972 548 N CB 0.548 39.102 38.487 0.112 0.000 1.207 548 N HN -0.169 nan 8.380 nan 0.000 0.525 549 P HA 0.017 nan 4.420 nan 0.000 0.233 549 P C -0.135 176.787 177.300 -0.630 0.000 1.167 549 P CA 1.024 63.784 63.100 -0.568 0.000 0.770 549 P CB -0.011 31.145 31.700 -0.907 0.000 0.837 550 Y N -0.926 119.388 120.300 0.023 0.000 2.447 550 Y HA 0.257 4.808 4.550 0.001 0.000 0.286 550 Y C 0.806 176.724 175.900 0.029 0.000 1.153 550 Y CA 0.348 58.461 58.100 0.021 0.000 1.241 550 Y CB -0.459 38.016 38.460 0.025 0.000 1.284 550 Y HN -0.226 nan 8.280 nan 0.000 0.520 551 Q N 1.118 121.036 119.800 0.197 0.000 3.064 551 Q HA 0.313 4.654 4.340 0.001 0.000 0.258 551 Q C -2.842 173.220 176.000 0.104 0.000 0.972 551 Q CA -2.088 53.797 55.803 0.137 0.000 0.761 551 Q CB 1.530 30.363 28.738 0.159 0.000 1.281 551 Q HN 0.073 nan 8.270 nan 0.000 0.455 552 P HA 0.456 nan 4.420 nan 0.000 0.274 552 P C 0.429 177.715 177.300 -0.024 0.000 1.237 552 P CA 0.504 63.606 63.100 0.005 0.000 0.793 552 P CB 1.257 32.932 31.700 -0.041 0.000 0.977 553 G N -0.487 108.269 108.800 -0.075 0.000 2.526 553 G HA2 0.003 3.964 3.960 0.001 0.000 0.250 553 G HA3 0.003 3.964 3.960 0.001 0.000 0.250 553 G C -1.605 173.153 174.900 -0.237 0.000 1.289 553 G CA -0.426 44.577 45.100 -0.162 0.000 0.947 553 G HN 0.508 nan 8.290 nan 0.000 0.517 554 V N 1.691 121.414 119.914 -0.319 0.000 2.462 554 V HA 0.569 4.690 4.120 0.001 0.000 0.288 554 V C -0.543 175.394 176.094 -0.262 0.000 1.020 554 V CA -1.029 60.948 62.300 -0.539 0.000 0.857 554 V CB 1.544 32.886 31.823 -0.800 0.000 1.013 554 V HN 0.722 nan 8.190 nan 0.000 0.431 555 K N 2.104 122.433 120.400 -0.119 0.000 2.207 555 K HA 0.836 5.157 4.320 0.001 0.000 0.255 555 K C -0.399 176.188 176.600 -0.021 0.000 0.941 555 K CA -0.528 55.674 56.287 -0.141 0.000 0.825 555 K CB 2.507 34.796 32.500 -0.353 0.000 1.119 555 K HN 0.639 nan 8.250 nan 0.000 0.430 556 T N -0.773 113.804 114.554 0.038 0.000 2.932 556 T HA 0.466 4.817 4.350 0.001 0.000 0.318 556 T C -1.026 173.763 174.700 0.147 0.000 1.265 556 T CA 0.254 62.449 62.100 0.157 0.000 1.036 556 T CB 0.859 69.918 68.868 0.318 0.000 1.209 556 T HN 0.687 nan 8.240 nan 0.000 0.484 557 A N 2.021 124.957 122.820 0.193 0.000 2.640 557 A HA -0.168 4.152 4.320 0.001 0.000 0.300 557 A C 1.344 179.007 177.584 0.130 0.000 1.499 557 A CA 2.046 54.199 52.037 0.193 0.000 0.759 557 A CB -2.617 16.481 19.000 0.163 0.000 1.048 557 A HN 1.597 nan 8.150 nan 0.000 0.450 558 T N -2.811 111.830 114.554 0.144 0.000 3.014 558 T HA 0.011 4.362 4.350 0.001 0.000 0.263 558 T C 1.662 176.442 174.700 0.133 0.000 1.078 558 T CA 1.195 63.378 62.100 0.139 0.000 1.135 558 T CB -0.063 68.933 68.868 0.213 0.000 0.895 558 T HN 0.685 nan 8.240 nan 0.000 0.480 559 R N 0.342 120.924 120.500 0.138 0.000 2.062 559 R HA 0.072 4.413 4.340 0.001 0.000 0.229 559 R C 1.792 178.152 176.300 0.100 0.000 1.128 559 R CA 1.381 57.550 56.100 0.115 0.000 0.960 559 R CB -0.013 30.355 30.300 0.112 0.000 0.855 559 R HN 0.365 nan 8.270 nan 0.000 0.432 560 V N -0.675 119.303 119.914 0.105 0.000 3.058 560 V HA 0.044 4.164 4.120 0.001 0.000 0.233 560 V C 1.918 178.059 176.094 0.078 0.000 1.255 560 V CA 0.293 62.648 62.300 0.091 0.000 1.267 560 V CB 0.146 32.026 31.823 0.096 0.000 1.049 560 V HN 0.179 nan 8.190 nan 0.000 0.486 561 I N 0.510 121.123 120.570 0.071 0.000 2.193 561 I HA -0.160 4.011 4.170 0.001 0.000 0.240 561 I C 2.516 178.654 176.117 0.035 0.000 1.084 561 I CA 1.553 62.882 61.300 0.049 0.000 1.365 561 I CB -0.205 37.794 38.000 -0.001 0.000 1.064 561 I HN 0.223 nan 8.210 nan 0.000 0.410 562 K N 1.270 121.683 120.400 0.022 0.000 2.057 562 K HA -0.111 4.210 4.320 0.001 0.000 0.207 562 K C -0.740 175.872 176.600 0.020 0.000 1.049 562 K CA 1.629 57.913 56.287 -0.006 0.000 0.931 562 K CB -1.302 31.199 32.500 0.001 0.000 0.714 562 K HN 0.095 nan 8.250 nan 0.000 0.440 563 P HA -0.153 nan 4.420 nan 0.000 0.215 563 P C 1.267 178.616 177.300 0.081 0.000 1.153 563 P CA 0.997 64.137 63.100 0.066 0.000 0.853 563 P CB -0.033 31.712 31.700 0.075 0.000 0.788 564 L N -0.721 120.555 121.223 0.087 0.000 2.012 564 L HA -0.182 4.158 4.340 0.001 0.000 0.210 564 L C 2.186 179.124 176.870 0.113 0.000 1.073 564 L CA 1.913 56.823 54.840 0.116 0.000 0.748 564 L CB -1.170 40.955 42.059 0.110 0.000 0.891 564 L HN -0.134 nan 8.230 nan 0.000 0.431 565 I N -0.291 120.313 120.570 0.056 0.000 2.179 565 I HA -0.286 3.885 4.170 0.001 0.000 0.242 565 I C 2.092 178.242 176.117 0.055 0.000 1.088 565 I CA 1.497 62.798 61.300 0.003 0.000 1.357 565 I CB -0.603 37.313 38.000 -0.140 0.000 1.051 565 I HN 0.302 nan 8.210 nan 0.000 0.409 566 D N 0.627 121.055 120.400 0.047 0.000 2.117 566 D HA -0.142 4.499 4.640 0.001 0.000 0.197 566 D C 2.370 178.773 176.300 0.172 0.000 0.987 566 D CA 1.205 55.258 54.000 0.089 0.000 0.829 566 D CB -0.224 40.607 40.800 0.052 0.000 0.961 566 D HN 0.246 nan 8.370 nan 0.000 0.460 567 R N -0.087 120.499 120.500 0.144 0.000 2.075 567 R HA -0.038 4.303 4.340 0.001 0.000 0.232 567 R C 2.276 178.686 176.300 0.184 0.000 1.126 567 R CA 1.420 57.609 56.100 0.149 0.000 0.963 567 R CB -0.293 30.087 30.300 0.133 0.000 0.858 567 R HN 0.137 nan 8.270 nan 0.000 0.435 568 T N 0.752 115.434 114.554 0.214 0.000 2.812 568 T HA -0.128 4.223 4.350 0.001 0.000 0.264 568 T C 1.354 176.205 174.700 0.252 0.000 1.042 568 T CA 1.101 63.344 62.100 0.239 0.000 1.140 568 T CB -0.301 68.701 68.868 0.224 0.000 0.870 568 T HN 0.164 nan 8.240 nan 0.000 0.445 569 F N 2.555 122.556 119.950 0.085 0.000 2.069 569 F HA -0.074 4.454 4.527 0.001 0.000 0.298 569 F C 2.522 178.393 175.800 0.118 0.000 1.113 569 F CA 1.254 59.303 58.000 0.082 0.000 1.214 569 F CB -0.775 38.233 39.000 0.014 0.000 0.978 569 F HN 0.145 nan 8.300 nan 0.000 0.474 570 A N -0.583 122.334 122.820 0.161 0.000 1.948 570 A HA -0.211 4.110 4.320 0.001 0.000 0.220 570 A C 2.168 179.702 177.584 -0.083 0.000 1.177 570 A CA 2.425 54.472 52.037 0.017 0.000 0.636 570 A CB -1.455 17.605 19.000 0.099 0.000 0.815 570 A HN 0.505 nan 8.150 nan 0.000 0.449 571 T N -0.252 114.274 114.554 -0.047 0.000 2.732 571 T HA -0.099 4.251 4.350 0.001 0.000 0.261 571 T C 2.039 176.490 174.700 -0.415 0.000 1.040 571 T CA 2.000 63.944 62.100 -0.259 0.000 1.145 571 T CB -0.745 68.054 68.868 -0.115 0.000 0.866 571 T HN 0.630 nan 8.240 nan 0.000 0.427 572 V N 0.347 120.296 119.914 0.057 0.000 2.427 572 V HA -0.069 4.052 4.120 0.001 0.000 0.248 572 V C 2.422 178.670 176.094 0.257 0.000 1.051 572 V CA 1.117 63.607 62.300 0.316 0.000 1.048 572 V CB -1.349 30.830 31.823 0.593 0.000 0.666 572 V HN 0.289 nan 8.190 nan 0.000 0.456 573 V N 0.797 120.741 119.914 0.050 0.000 2.343 573 V HA -0.281 3.840 4.120 0.001 0.000 0.247 573 V C 2.725 178.845 176.094 0.043 0.000 1.051 573 V CA 2.720 65.028 62.300 0.013 0.000 1.036 573 V CB -0.849 30.795 31.823 -0.298 0.000 0.654 573 V HN 0.713 nan 8.190 nan 0.000 0.451 574 K N -0.444 119.925 120.400 -0.051 0.000 2.026 574 K HA -0.198 4.123 4.320 0.001 0.000 0.208 574 K C 2.139 178.797 176.600 0.097 0.000 1.048 574 K CA 1.856 58.126 56.287 -0.029 0.000 0.929 574 K CB -0.286 32.140 32.500 -0.123 0.000 0.713 574 K HN 0.304 nan 8.250 nan 0.000 0.439 575 F N 0.640 120.611 119.950 0.035 0.000 2.095 575 F HA -0.156 4.372 4.527 0.001 0.000 0.298 575 F C 2.261 178.059 175.800 -0.003 0.000 1.104 575 F CA 0.894 58.890 58.000 -0.006 0.000 1.232 575 F CB -1.273 37.726 39.000 -0.002 0.000 0.987 575 F HN 0.064 nan 8.300 nan 0.000 0.475 576 F N 1.341 121.329 119.950 0.062 0.000 2.095 576 F HA -0.262 4.266 4.527 0.001 0.000 0.298 576 F C 2.256 178.065 175.800 0.015 0.000 1.104 576 F CA 1.694 59.651 58.000 -0.071 0.000 1.232 576 F CB -0.482 38.190 39.000 -0.547 0.000 0.987 576 F HN -0.122 nan 8.300 nan 0.000 0.475 577 N N 0.493 119.308 118.700 0.192 0.000 2.104 577 N HA -0.209 4.532 4.740 0.001 0.000 0.190 577 N C 1.811 177.270 175.510 -0.085 0.000 1.024 577 N CA 1.688 54.760 53.050 0.036 0.000 0.853 577 N CB -0.646 37.852 38.487 0.019 0.000 1.008 577 N HN 0.515 nan 8.380 nan 0.000 0.424 578 Q N 0.522 120.293 119.800 -0.048 0.000 2.050 578 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 578 Q C 2.033 177.914 176.000 -0.198 0.000 0.980 578 Q CA 1.318 57.068 55.803 -0.089 0.000 0.840 578 Q CB -0.053 28.672 28.738 -0.023 0.000 0.898 578 Q HN 0.319 nan 8.270 nan 0.000 0.424 579 K N -0.169 120.057 120.400 -0.290 0.000 2.057 579 K HA -0.095 4.226 4.320 0.001 0.000 0.206 579 K C 0.656 176.791 176.600 -0.776 0.000 1.050 579 K CA 1.032 56.980 56.287 -0.565 0.000 0.935 579 K CB 0.158 32.230 32.500 -0.714 0.000 0.715 579 K HN 0.076 nan 8.250 nan 0.000 0.439 580 F N 1.499 121.163 119.950 -0.476 0.000 2.684 580 F HA 0.222 4.750 4.527 0.001 0.000 0.298 580 F C -0.155 175.456 175.800 -0.314 0.000 1.120 580 F CA -0.551 57.163 58.000 -0.476 0.000 1.332 580 F CB 0.183 38.676 39.000 -0.844 0.000 0.986 580 F HN 0.027 nan 8.300 nan 0.000 0.524 581 N N 0.300 118.905 118.700 -0.159 0.000 2.710 581 N HA -0.225 4.515 4.740 0.001 0.000 0.249 581 N C 0.094 175.483 175.510 -0.202 0.000 1.059 581 N CA 0.840 53.803 53.050 -0.146 0.000 0.720 581 N CB -1.279 37.161 38.487 -0.077 0.000 0.983 581 N HN 0.392 nan 8.380 nan 0.000 0.544 582 A N -0.659 122.027 122.820 -0.224 0.000 2.263 582 A HA 0.733 5.053 4.320 0.001 0.000 0.318 582 A C 0.132 177.438 177.584 -0.463 0.000 1.111 582 A CA -0.436 51.488 52.037 -0.189 0.000 0.901 582 A CB 0.711 19.767 19.000 0.093 0.000 1.280 582 A HN 0.428 nan 8.150 nan 0.000 0.503 583 H N -0.634 118.486 119.070 0.084 0.000 2.767 583 H HA 0.323 4.880 4.556 0.001 0.000 0.235 583 H C -0.932 174.430 175.328 0.057 0.000 1.256 583 H CA -0.346 55.741 56.048 0.064 0.000 0.957 583 H CB 0.047 29.842 29.762 0.055 0.000 2.117 583 H HN 0.357 nan 8.280 nan 0.000 0.602 584 L N 1.295 122.567 121.223 0.081 0.000 2.499 584 L HA 0.013 4.354 4.340 0.001 0.000 0.273 584 L C 0.519 177.457 176.870 0.113 0.000 1.195 584 L CA 0.010 54.843 54.840 -0.011 0.000 0.882 584 L CB 0.389 42.242 42.059 -0.344 0.000 1.133 584 L HN 0.376 nan 8.230 nan 0.000 0.483 585 D N 2.634 123.173 120.400 0.232 0.000 2.401 585 D HA 0.148 4.788 4.640 0.001 0.000 0.254 585 D C 0.480 176.970 176.300 0.316 0.000 1.192 585 D CA 0.074 54.224 54.000 0.250 0.000 0.885 585 D CB 1.566 42.512 40.800 0.243 0.000 1.147 585 D HN 0.570 nan 8.370 nan 0.000 0.478 586 A N 3.272 126.217 122.820 0.208 0.000 2.345 586 A HA 0.167 4.488 4.320 0.001 0.000 0.225 586 A C 0.918 178.685 177.584 0.304 0.000 1.243 586 A CA -0.010 52.137 52.037 0.184 0.000 0.875 586 A CB -0.569 18.462 19.000 0.053 0.000 0.929 586 A HN 0.609 nan 8.150 nan 0.000 0.502 587 T N -2.135 112.577 114.554 0.263 0.000 2.926 587 T HA 0.313 4.664 4.350 0.001 0.000 0.307 587 T C 1.013 175.830 174.700 0.195 0.000 1.059 587 T CA 0.627 62.836 62.100 0.182 0.000 1.122 587 T CB 1.103 70.024 68.868 0.088 0.000 0.972 587 T HN 0.402 nan 8.240 nan 0.000 0.545 588 T N -2.113 112.498 114.554 0.095 0.000 2.969 588 T HA 0.217 4.568 4.350 0.001 0.000 0.250 588 T C -0.056 174.606 174.700 -0.064 0.000 1.021 588 T CA -0.262 61.833 62.100 -0.008 0.000 1.003 588 T CB 0.217 69.111 68.868 0.043 0.000 1.040 588 T HN 0.586 nan 8.240 nan 0.000 0.492 589 D N 1.398 121.783 120.400 -0.025 0.000 2.256 589 D HA 0.290 4.931 4.640 0.001 0.000 0.240 589 D C -1.225 175.043 176.300 -0.054 0.000 1.062 589 D CA -0.570 53.417 54.000 -0.021 0.000 0.832 589 D CB 1.450 42.252 40.800 0.002 0.000 1.135 589 D HN 0.268 nan 8.370 nan 0.000 0.484 590 Y N 2.560 122.746 120.300 -0.191 0.000 2.526 590 Y HA 0.232 4.783 4.550 0.001 0.000 0.330 590 Y C -0.507 175.070 175.900 -0.537 0.000 1.156 590 Y CA -0.127 57.767 58.100 -0.343 0.000 1.419 590 Y CB 0.594 38.816 38.460 -0.397 0.000 1.250 590 Y HN 0.245 nan 8.280 nan 0.000 0.540 591 M N 10.400 129.239 119.600 -1.268 0.000 2.165 591 M HA 0.396 4.877 4.480 0.001 0.000 0.283 591 M C -2.347 173.200 176.300 -1.256 0.000 0.978 591 M CA -2.710 51.939 55.300 -1.085 0.000 0.948 591 M CB 1.653 33.963 32.600 -0.483 0.000 1.599 591 M HN 0.391 nan 8.290 nan 0.000 0.450 592 P HA -0.003 nan 4.420 nan 0.000 0.220 592 P C -0.435 176.567 177.300 -0.496 0.000 1.152 592 P CA 1.182 63.790 63.100 -0.819 0.000 0.812 592 P CB -0.029 31.283 31.700 -0.646 0.000 0.792 593 H N -0.239 118.691 119.070 -0.232 0.000 2.505 593 H HA 0.450 5.007 4.556 0.001 0.000 0.355 593 H C 0.367 175.607 175.328 -0.147 0.000 1.179 593 H CA -0.498 55.465 56.048 -0.142 0.000 1.343 593 H CB 0.896 30.598 29.762 -0.099 0.000 1.501 593 H HN -0.127 nan 8.280 nan 0.000 0.569 594 K N 1.147 121.561 120.400 0.023 0.000 2.352 594 K HA 0.559 4.880 4.320 0.001 0.000 0.240 594 K C -0.801 175.795 176.600 -0.007 0.000 1.017 594 K CA -0.908 55.368 56.287 -0.017 0.000 0.851 594 K CB 2.555 35.046 32.500 -0.014 0.000 1.261 594 K HN 0.516 nan 8.250 nan 0.000 0.451 605 L N 2.521 123.739 121.223 -0.007 0.000 2.349 605 L HA 0.519 4.860 4.340 0.001 0.000 0.275 605 L C -1.844 175.017 176.870 -0.015 0.000 1.115 605 L CA -1.548 53.288 54.840 -0.006 0.000 0.820 605 L CB 0.137 42.191 42.059 -0.009 0.000 1.135 605 L HN 0.013 nan 8.230 nan 0.000 0.445 606 P HA 0.145 nan 4.420 nan 0.000 0.275 606 P C -0.497 176.793 177.300 -0.017 0.000 1.227 606 P CA -0.357 62.734 63.100 -0.014 0.000 0.781 606 P CB 0.774 32.471 31.700 -0.005 0.000 0.906 607 L N 2.403 123.610 121.223 -0.027 0.000 2.461 607 L HA 0.130 4.471 4.340 0.001 0.000 0.272 607 L C 1.078 177.951 176.870 0.006 0.000 1.197 607 L CA 0.285 55.117 54.840 -0.013 0.000 0.836 607 L CB -0.056 41.998 42.059 -0.008 0.000 1.105 607 L HN 0.375 nan 8.230 nan 0.000 0.477 608 Q N 1.526 121.343 119.800 0.029 0.000 2.394 608 Q HA 0.545 4.886 4.340 0.001 0.000 0.273 608 Q C -1.377 174.665 176.000 0.070 0.000 1.089 608 Q CA -0.780 55.050 55.803 0.046 0.000 0.812 608 Q CB 3.209 31.966 28.738 0.033 0.000 1.353 608 Q HN 0.321 nan 8.270 nan 0.000 0.438 609 V N 2.814 122.782 119.914 0.091 0.000 2.378 609 V HA 0.390 4.511 4.120 0.001 0.000 0.288 609 V C -0.671 175.429 176.094 0.009 0.000 1.016 609 V CA -0.694 61.657 62.300 0.084 0.000 0.840 609 V CB 1.398 33.324 31.823 0.172 0.000 0.994 609 V HN 0.545 nan 8.190 nan 0.000 0.431 610 K N 3.827 124.221 120.400 -0.010 0.000 2.502 610 K HA 0.771 5.092 4.320 0.001 0.000 0.254 610 K C 0.566 177.136 176.600 -0.050 0.000 0.947 610 K CA 0.236 56.500 56.287 -0.037 0.000 0.834 610 K CB 1.754 34.237 32.500 -0.027 0.000 1.112 610 K HN 0.859 nan 8.250 nan 0.000 0.427 611 A N 3.576 126.356 122.820 -0.066 0.000 5.324 611 A HA -0.355 3.966 4.320 0.001 0.000 0.337 611 A C 0.821 178.372 177.584 -0.055 0.000 1.730 611 A CA 2.000 53.999 52.037 -0.063 0.000 0.711 611 A CB -1.410 17.550 19.000 -0.066 0.000 1.434 611 A HN 0.903 nan 8.150 nan 0.000 0.400 612 N N 1.279 119.944 118.700 -0.059 0.000 2.276 612 N HA 0.151 4.892 4.740 0.001 0.000 0.212 612 N C 0.128 175.588 175.510 -0.085 0.000 1.127 612 N CA 0.402 53.408 53.050 -0.072 0.000 0.834 612 N CB -0.035 38.415 38.487 -0.062 0.000 1.014 612 N HN 0.708 nan 8.380 nan 0.000 0.491 613 R N -0.097 120.364 120.500 -0.066 0.000 2.532 613 R HA 0.584 4.925 4.340 0.001 0.000 0.295 613 R C -0.880 175.393 176.300 -0.044 0.000 0.968 613 R CA -0.834 55.231 56.100 -0.059 0.000 0.916 613 R CB 2.323 32.597 30.300 -0.045 0.000 1.124 613 R HN -0.139 nan 8.270 nan 0.000 0.463 614 V N 4.838 124.721 119.914 -0.052 0.000 2.378 614 V HA 0.326 4.447 4.120 0.001 0.000 0.288 614 V C -0.813 175.291 176.094 0.017 0.000 1.016 614 V CA -0.863 61.422 62.300 -0.024 0.000 0.840 614 V CB 1.184 32.933 31.823 -0.123 0.000 0.994 614 V HN 0.436 nan 8.190 nan 0.000 0.431 615 L N 5.627 126.870 121.223 0.034 0.000 2.330 615 L HA 0.631 4.972 4.340 0.001 0.000 0.271 615 L C -0.161 176.730 176.870 0.035 0.000 1.013 615 L CA -0.702 54.169 54.840 0.051 0.000 0.816 615 L CB 1.289 43.367 42.059 0.033 0.000 1.287 615 L HN 0.384 nan 8.230 nan 0.000 0.435 616 I N 0.785 121.377 120.570 0.037 0.000 2.325 616 I HA 0.191 4.362 4.170 0.001 0.000 0.291 616 I C 0.368 176.490 176.117 0.008 0.000 1.019 616 I CA -0.338 60.948 61.300 -0.023 0.000 1.302 616 I CB 1.095 39.021 38.000 -0.124 0.000 1.401 616 I HN 0.590 nan 8.210 nan 0.000 0.485 617 S N 8.443 124.145 115.700 0.003 0.000 2.673 617 S HA 0.022 4.493 4.470 0.001 0.000 0.308 617 S C -1.760 172.850 174.600 0.016 0.000 1.246 617 S CA -0.738 57.469 58.200 0.013 0.000 1.077 617 S CB -0.361 62.846 63.200 0.012 0.000 0.814 617 S HN 0.479 nan 8.310 nan 0.000 0.503 632 E N 0.056 120.271 120.200 0.024 0.000 2.292 632 E HA 0.690 5.040 4.350 0.001 0.000 0.272 632 E C -1.995 174.632 176.600 0.046 0.000 0.881 632 E CA -0.576 55.868 56.400 0.074 0.000 0.754 632 E CB 2.619 32.386 29.700 0.113 0.000 1.201 632 E HN 0.503 nan 8.360 nan 0.000 0.425 633 I N 3.066 123.680 120.570 0.072 0.000 2.406 633 I HA 0.273 4.444 4.170 0.001 0.000 0.290 633 I C -0.296 175.839 176.117 0.031 0.000 0.999 633 I CA -0.549 60.768 61.300 0.029 0.000 1.124 633 I CB 1.841 39.842 38.000 0.002 0.000 1.289 633 I HN 0.468 nan 8.210 nan 0.000 0.441 634 E N 7.786 127.963 120.200 -0.039 0.000 2.141 634 E HA 0.417 4.768 4.350 0.001 0.000 0.259 634 E C -1.061 175.443 176.600 -0.160 0.000 0.883 634 E CA -0.627 55.630 56.400 -0.238 0.000 0.744 634 E CB 1.102 30.636 29.700 -0.276 0.000 1.150 634 E HN 0.535 nan 8.360 nan 0.000 0.420 635 L N 3.213 124.327 121.223 -0.183 0.000 2.473 635 L HA 0.069 4.409 4.340 0.001 0.000 0.268 635 L C 1.395 178.325 176.870 0.098 0.000 1.215 635 L CA -0.336 54.484 54.840 -0.033 0.000 0.823 635 L CB 0.364 42.393 42.059 -0.050 0.000 1.099 635 L HN 0.673 nan 8.230 nan 0.000 0.483 636 D N -0.346 120.279 120.400 0.376 0.000 2.363 636 D HA 0.181 4.822 4.640 0.001 0.000 0.226 636 D C 0.196 176.559 176.300 0.104 0.000 1.020 636 D CA 0.410 54.523 54.000 0.188 0.000 0.892 636 D CB 0.364 41.267 40.800 0.173 0.000 0.900 636 D HN 0.524 nan 8.370 nan 0.000 0.531 637 A N -0.523 122.343 122.820 0.076 0.000 2.540 637 A HA 0.553 4.874 4.320 0.001 0.000 0.291 637 A C -1.378 176.031 177.584 -0.292 0.000 1.083 637 A CA -0.932 50.997 52.037 -0.179 0.000 0.650 637 A CB 0.370 19.163 19.000 -0.345 0.000 1.292 637 A HN 0.075 nan 8.150 nan 0.000 0.435 638 I N 0.996 121.365 120.570 -0.333 0.000 2.441 638 I HA 0.413 4.584 4.170 0.001 0.000 0.287 638 I C -1.028 174.837 176.117 -0.420 0.000 1.049 638 I CA 0.174 61.339 61.300 -0.225 0.000 1.381 638 I CB 0.460 38.398 38.000 -0.103 0.000 1.409 638 I HN 0.543 nan 8.210 nan 0.000 0.523 639 Y N 6.128 126.426 120.300 -0.003 0.000 2.536 639 Y HA 0.435 4.986 4.550 0.002 0.000 0.347 639 Y C -2.342 173.560 175.900 0.004 0.000 1.000 639 Y CA -2.892 55.209 58.100 0.001 0.000 1.051 639 Y CB 1.347 39.800 38.460 -0.011 0.000 1.259 639 Y HN 0.384 nan 8.280 nan 0.000 0.468 640 P HA 0.127 nan 4.420 nan 0.000 0.271 640 P C -0.083 177.276 177.300 0.098 0.000 1.226 640 P CA -0.053 63.108 63.100 0.102 0.000 0.765 640 P CB 0.549 32.295 31.700 0.076 0.000 0.835 641 G N 2.396 111.238 108.800 0.070 0.000 2.372 641 G HA2 0.185 4.146 3.960 0.001 0.000 0.283 641 G HA3 0.185 4.146 3.960 0.001 0.000 0.283 641 G C 0.473 175.386 174.900 0.022 0.000 1.177 641 G CA -0.104 45.022 45.100 0.043 0.000 0.842 641 G HN 0.326 nan 8.290 nan 0.000 0.503 642 E N 0.694 120.896 120.200 0.002 0.000 2.052 642 E HA 0.141 4.492 4.350 0.001 0.000 0.192 642 E C 0.899 177.490 176.600 -0.014 0.000 0.958 642 E CA 0.922 57.318 56.400 -0.006 0.000 0.835 642 E CB 0.277 29.967 29.700 -0.017 0.000 0.811 642 E HN 0.801 nan 8.360 nan 0.000 0.462 643 N N -1.769 116.914 118.700 -0.028 0.000 3.046 643 N HA 0.341 5.082 4.740 0.001 0.000 0.243 643 N C -1.623 173.849 175.510 -0.063 0.000 1.452 643 N CA -0.664 52.362 53.050 -0.040 0.000 0.882 643 N CB 0.992 39.453 38.487 -0.042 0.000 1.425 643 N HN -0.034 nan 8.380 nan 0.000 0.517 644 I N -0.144 120.372 120.570 -0.089 0.000 2.608 644 I HA 0.366 4.537 4.170 0.001 0.000 0.295 644 I C -0.975 175.022 176.117 -0.200 0.000 1.049 644 I CA -0.585 60.623 61.300 -0.154 0.000 1.063 644 I CB 2.163 40.060 38.000 -0.171 0.000 1.248 644 I HN 0.513 nan 8.210 nan 0.000 0.424 645 Q N 6.344 125.985 119.800 -0.267 0.000 2.414 645 Q HA 0.569 4.910 4.340 0.001 0.000 0.256 645 Q C -1.369 174.390 176.000 -0.401 0.000 0.974 645 Q CA -0.307 55.334 55.803 -0.270 0.000 0.723 645 Q CB 2.541 31.173 28.738 -0.177 0.000 1.281 645 Q HN 0.503 nan 8.270 nan 0.000 0.470 646 I N 1.440 121.702 120.570 -0.513 0.000 2.404 646 I HA 0.451 4.622 4.170 0.001 0.000 0.293 646 I C -0.506 175.213 176.117 -0.663 0.000 0.992 646 I CA -0.705 60.167 61.300 -0.714 0.000 1.149 646 I CB 1.881 39.264 38.000 -1.028 0.000 1.315 646 I HN 0.460 nan 8.210 nan 0.000 0.446 647 N N 4.624 122.919 118.700 -0.675 0.000 2.430 647 N HA 0.580 5.321 4.740 0.001 0.000 0.290 647 N C -1.292 173.912 175.510 -0.511 0.000 1.063 647 N CA -0.441 52.307 53.050 -0.504 0.000 0.883 647 N CB 1.396 39.738 38.487 -0.241 0.000 1.465 647 N HN 0.275 nan 8.380 nan 0.000 0.493 680 L N 1.500 122.643 121.223 -0.133 0.000 2.344 680 L HA 0.958 5.299 4.340 0.001 0.000 0.272 680 L C 0.814 177.599 176.870 -0.141 0.000 1.035 680 L CA -0.523 54.250 54.840 -0.112 0.000 0.807 680 L CB 2.138 44.128 42.059 -0.115 0.000 1.237 680 L HN 1.126 nan 8.230 nan 0.000 0.442 681 S N 0.204 115.845 115.700 -0.098 0.000 2.565 681 S HA 0.926 5.397 4.470 0.001 0.000 0.274 681 S C -1.437 173.127 174.600 -0.060 0.000 1.144 681 S CA -0.376 57.764 58.200 -0.099 0.000 0.849 681 S CB 1.445 64.592 63.200 -0.087 0.000 1.103 681 S HN 1.079 nan 8.310 nan 0.000 0.455 682 A N 1.048 123.833 122.820 -0.059 0.000 2.459 682 A HA 0.878 5.199 4.320 0.001 0.000 0.296 682 A C 0.160 177.726 177.584 -0.029 0.000 1.039 682 A CA -0.324 51.695 52.037 -0.031 0.000 0.698 682 A CB 1.199 20.191 19.000 -0.014 0.000 1.261 682 A HN 1.847 nan 8.150 nan 0.000 0.405 683 G N 0.569 109.358 108.800 -0.018 0.000 2.380 683 G HA2 0.480 4.440 3.960 0.001 0.000 0.262 683 G HA3 0.480 4.440 3.960 0.001 0.000 0.262 683 G C 0.415 175.313 174.900 -0.004 0.000 1.243 683 G CA -0.446 44.646 45.100 -0.013 0.000 0.865 683 G HN 0.725 nan 8.290 nan 0.000 0.513 684 L N 1.067 122.290 121.223 -0.001 0.000 2.585 684 L HA 0.107 4.447 4.340 0.001 0.000 0.226 684 L C 1.054 177.933 176.870 0.015 0.000 1.113 684 L CA -0.062 54.784 54.840 0.010 0.000 0.876 684 L CB -0.202 41.865 42.059 0.014 0.000 1.072 684 L HN 0.556 nan 8.230 nan 0.000 0.468 685 Q N 1.080 120.886 119.800 0.010 0.000 2.435 685 Q HA -0.234 4.107 4.340 0.001 0.000 0.312 685 Q C 0.152 176.162 176.000 0.017 0.000 1.333 685 Q CA 0.421 56.231 55.803 0.012 0.000 0.883 685 Q CB -1.050 27.695 28.738 0.011 0.000 1.170 685 Q HN 0.236 nan 8.270 nan 0.000 0.443 686 K N -4.725 115.687 120.400 0.021 0.000 3.407 686 K HA -0.227 4.094 4.320 0.001 0.000 0.312 686 K C 0.072 176.692 176.600 0.034 0.000 1.302 686 K CA 1.226 57.530 56.287 0.028 0.000 0.931 686 K CB -2.170 30.345 32.500 0.024 0.000 1.257 686 K HN 0.667 nan 8.250 nan 0.000 0.454 687 A N 1.831 124.671 122.820 0.034 0.000 2.488 687 A HA 0.386 4.707 4.320 0.001 0.000 0.249 687 A C -2.033 175.580 177.584 0.050 0.000 1.083 687 A CA -0.758 51.302 52.037 0.038 0.000 0.768 687 A CB -0.003 19.019 19.000 0.037 0.000 1.017 687 A HN -0.081 nan 8.150 nan 0.000 0.496 688 P HA 0.238 nan 4.420 nan 0.000 0.267 688 P C -0.675 176.669 177.300 0.073 0.000 1.205 688 P CA 0.226 63.359 63.100 0.055 0.000 0.765 688 P CB 0.826 32.550 31.700 0.039 0.000 0.828 689 V N 4.189 124.157 119.914 0.090 0.000 2.668 689 V HA 0.344 4.465 4.120 0.001 0.000 0.304 689 V C 0.431 176.587 176.094 0.103 0.000 1.071 689 V CA -0.355 62.008 62.300 0.106 0.000 0.894 689 V CB 1.838 33.720 31.823 0.099 0.000 1.008 689 V HN 0.556 nan 8.190 nan 0.000 0.425 690 K N 4.750 125.202 120.400 0.087 0.000 2.362 690 K HA 0.396 4.717 4.320 0.001 0.000 0.203 690 K C -0.306 176.182 176.600 -0.187 0.000 1.198 690 K CA 0.089 56.341 56.287 -0.058 0.000 0.908 690 K CB 0.374 32.794 32.500 -0.133 0.000 1.236 690 K HN 0.501 nan 8.250 nan 0.000 0.487 691 F N 1.719 121.706 119.950 0.061 0.000 2.421 691 F HA 0.406 4.934 4.527 0.001 0.000 0.337 691 F C -0.477 175.366 175.800 0.072 0.000 1.105 691 F CA -0.983 57.053 58.000 0.059 0.000 1.049 691 F CB 1.976 41.007 39.000 0.051 0.000 1.139 691 F HN -0.319 nan 8.300 nan 0.000 0.479 692 V N 3.666 123.729 119.914 0.248 0.000 2.531 692 V HA 0.575 4.696 4.120 0.001 0.000 0.301 692 V C -0.578 175.665 176.094 0.249 0.000 1.034 692 V CA -0.898 61.541 62.300 0.232 0.000 0.865 692 V CB 1.872 33.830 31.823 0.225 0.000 0.995 692 V HN 0.747 nan 8.190 nan 0.000 0.424 693 R N 3.286 123.937 120.500 0.251 0.000 2.628 693 R HA 0.685 5.025 4.340 0.001 0.000 0.288 693 R C -1.876 174.617 176.300 0.322 0.000 0.980 693 R CA -0.414 55.829 56.100 0.238 0.000 0.891 693 R CB 1.868 32.256 30.300 0.147 0.000 1.188 693 R HN 0.584 nan 8.270 nan 0.000 0.450 710 V N 5.609 125.489 119.914 -0.057 0.000 2.482 710 V HA 0.432 4.553 4.120 0.001 0.000 0.295 710 V C -0.784 175.278 176.094 -0.054 0.000 1.026 710 V CA -0.728 61.567 62.300 -0.007 0.000 0.856 710 V CB 1.815 33.612 31.823 -0.042 0.000 1.001 710 V HN 0.485 nan 8.190 nan 0.000 0.424 711 L N 5.048 126.275 121.223 0.005 0.000 2.265 711 L HA 0.685 5.026 4.340 0.001 0.000 0.288 711 L C 0.279 177.115 176.870 -0.057 0.000 1.058 711 L CA 0.924 55.748 54.840 -0.028 0.000 0.809 711 L CB 1.444 43.505 42.059 0.003 0.000 1.179 711 L HN 0.717 nan 8.230 nan 0.000 0.429 712 T N 7.009 121.526 114.554 -0.061 0.000 2.829 712 T HA 0.659 5.010 4.350 0.001 0.000 0.282 712 T C -0.100 174.562 174.700 -0.063 0.000 0.990 712 T CA -0.218 61.842 62.100 -0.065 0.000 1.028 712 T CB 0.797 69.632 68.868 -0.055 0.000 0.951 712 T HN 0.618 nan 8.240 nan 0.000 0.460 713 I N -0.790 119.730 120.570 -0.085 0.000 3.042 713 I HA 0.622 4.793 4.170 0.001 0.000 0.310 713 I C -0.201 175.892 176.117 -0.041 0.000 1.117 713 I CA -1.321 59.936 61.300 -0.072 0.000 1.003 713 I CB 2.102 39.992 38.000 -0.184 0.000 1.228 713 I HN 0.425 nan 8.210 nan 0.000 0.443 714 E N 3.517 123.728 120.200 0.018 0.000 2.029 714 E HA 0.187 4.538 4.350 0.001 0.000 0.276 714 E C -0.829 175.809 176.600 0.064 0.000 1.163 714 E CA -0.058 56.366 56.400 0.041 0.000 0.909 714 E CB 0.587 30.326 29.700 0.065 0.000 1.046 714 E HN 0.547 nan 8.360 nan 0.000 0.406 715 K N 0.000 120.411 120.400 0.018 0.000 2.780 715 K HA 0.000 4.321 4.320 0.001 0.000 0.191 715 K CA 0.000 56.305 56.287 0.030 0.000 0.838 715 K CB 0.000 32.469 32.500 -0.051 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543