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 3fsl_1_B DATA FIRST_RESID 5 DATA SEQUENCE MFQKVDAYAG DPILTLMERF KEDPRSDKVN LSIGLYYNED GIIPQLQAVA DATA SEQUENCE EAEARLNAQP HGASLYLPME GLNCYRHAIA PLLFGADHPV LKQQRVATIQ DATA SEQUENCE TLGGSGALKV GADFLKRYFP ESXGXXXXVW VSDPTWENHV AIFAGAGFXE DATA SEQUENCE VSTYPWYDEA TNGVRFNDLL ATLKTLQAGS IVLLHPCCHN PTGADLTNDQ DATA SEQUENCE WDAVIEILKA RELIPFLDIA YQGFGAGXME EDAYAIRAIA SAGLPALVSN DATA SEQUENCE SFSKIFSLYG ERVGGLSVMC EDAEAAGRVL GQLKATVRRN YSSPPNFGAQ DATA SEQUENCE VVAAVLNDEA LKASWLKEVE EMRTRILAMR QELVKVLSTE MPERNFDYLL DATA SEQUENCE NQRGMFSYTG LSAAQVDRLR EEFGVYLIAS GRMCVAGLNT ANVQRVAKAF DATA SEQUENCE AXAVM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.015 176.300 -0.476 0.000 1.140 5 M CA 0.000 55.027 55.300 -0.454 0.000 0.988 5 M CB 0.000 32.147 32.600 -0.755 0.000 1.302 6 F N 1.176 121.128 119.950 0.003 0.000 2.732 6 F HA 0.243 4.770 4.527 -0.000 0.000 0.303 6 F C 1.467 177.271 175.800 0.006 0.000 1.110 6 F CA -0.080 57.922 58.000 0.004 0.000 1.355 6 F CB -0.098 38.905 39.000 0.005 0.000 1.081 6 F HN 0.191 nan 8.300 nan 0.000 0.565 7 Q N 1.036 120.893 119.800 0.095 0.000 2.268 7 Q HA -0.195 4.145 4.340 -0.000 0.000 0.210 7 Q C 1.281 177.322 176.000 0.068 0.000 0.988 7 Q CA 1.446 57.291 55.803 0.069 0.000 0.883 7 Q CB -0.258 28.497 28.738 0.028 0.000 0.911 7 Q HN 0.337 nan 8.270 nan 0.000 0.430 8 K N -0.219 120.224 120.400 0.072 0.000 2.440 8 K HA 0.197 4.517 4.320 -0.000 0.000 0.206 8 K C -0.705 175.939 176.600 0.074 0.000 1.025 8 K CA -0.120 56.202 56.287 0.060 0.000 1.135 8 K CB 1.119 33.644 32.500 0.040 0.000 0.856 8 K HN -0.056 nan 8.250 nan 0.000 0.502 9 V N 4.808 124.785 119.914 0.105 0.000 2.370 9 V HA -0.040 4.080 4.120 -0.000 0.000 0.257 9 V C 0.194 176.327 176.094 0.065 0.000 1.064 9 V CA -0.553 61.800 62.300 0.087 0.000 0.975 9 V CB -0.310 31.572 31.823 0.099 0.000 1.067 9 V HN 0.325 nan 8.190 nan 0.000 0.485 10 D N 4.214 124.648 120.400 0.056 0.000 2.443 10 D HA 0.190 4.830 4.640 -0.000 0.000 0.239 10 D C 0.473 176.813 176.300 0.066 0.000 1.136 10 D CA -0.261 53.772 54.000 0.055 0.000 0.879 10 D CB 1.420 42.251 40.800 0.052 0.000 1.195 10 D HN 0.541 nan 8.370 nan 0.000 0.443 11 A N 2.030 124.886 122.820 0.061 0.000 2.565 11 A HA 0.008 4.328 4.320 -0.000 0.000 0.237 11 A C -0.424 177.233 177.584 0.123 0.000 1.053 11 A CA -0.183 51.898 52.037 0.074 0.000 0.755 11 A CB -0.285 18.739 19.000 0.040 0.000 0.980 11 A HN 0.587 nan 8.150 nan 0.000 0.506 12 Y N 3.294 123.590 120.300 -0.006 0.000 2.404 12 Y HA 0.408 4.958 4.550 -0.000 0.000 0.344 12 Y C 1.137 177.034 175.900 -0.004 0.000 0.995 12 Y CA -0.752 57.343 58.100 -0.008 0.000 1.201 12 Y CB 0.552 39.004 38.460 -0.013 0.000 1.151 12 Y HN 0.820 nan 8.280 nan 0.000 0.517 13 A N 4.738 127.376 122.820 -0.303 0.000 1.958 13 A HA 0.198 4.518 4.320 -0.000 0.000 0.221 13 A C 1.298 178.525 177.584 -0.595 0.000 1.178 13 A CA 1.737 53.557 52.037 -0.362 0.000 0.642 13 A CB -1.284 17.586 19.000 -0.217 0.000 0.816 13 A HN 1.847 nan 8.150 nan 0.000 0.453 14 G N -1.755 106.247 108.800 -1.330 0.000 2.428 14 G HA2 0.200 4.160 3.960 -0.000 0.000 0.681 14 G HA3 0.200 4.160 3.960 -0.000 0.000 0.681 14 G C -1.038 173.523 174.900 -0.566 0.000 1.340 14 G CA -0.114 44.420 45.100 -0.944 0.000 0.915 14 G HN 0.415 nan 8.290 nan 0.000 0.645 15 D N 1.483 121.809 120.400 -0.124 0.000 2.434 15 D HA 0.225 4.865 4.640 -0.000 0.000 0.252 15 D C -0.751 175.532 176.300 -0.028 0.000 1.185 15 D CA -1.018 53.002 54.000 0.034 0.000 0.886 15 D CB 1.505 42.363 40.800 0.097 0.000 1.148 15 D HN 0.019 nan 8.370 nan 0.000 0.483 16 P HA -0.038 nan 4.420 nan 0.000 0.220 16 P C 1.476 178.786 177.300 0.016 0.000 1.148 16 P CA 0.791 63.880 63.100 -0.018 0.000 0.803 16 P CB 0.306 31.999 31.700 -0.011 0.000 0.782 17 I N -1.864 118.726 120.570 0.034 0.000 2.400 17 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 17 I C 1.905 178.051 176.117 0.048 0.000 1.109 17 I CA 0.747 62.079 61.300 0.054 0.000 1.425 17 I CB -0.588 37.458 38.000 0.077 0.000 1.094 17 I HN -0.143 nan 8.210 nan 0.000 0.425 18 L N 0.479 121.729 121.223 0.045 0.000 2.083 18 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 18 L C 2.582 179.471 176.870 0.032 0.000 1.083 18 L CA 1.979 56.843 54.840 0.041 0.000 0.752 18 L CB -1.294 40.795 42.059 0.050 0.000 0.899 18 L HN 0.189 nan 8.230 nan 0.000 0.433 19 T N -0.584 113.980 114.554 0.017 0.000 2.708 19 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 19 T C 1.852 176.581 174.700 0.048 0.000 1.037 19 T CA 1.377 63.484 62.100 0.012 0.000 1.146 19 T CB -0.319 68.533 68.868 -0.026 0.000 0.865 19 T HN 0.180 nan 8.240 nan 0.000 0.435 20 L N 0.511 121.773 121.223 0.065 0.000 2.127 20 L HA 0.019 4.359 4.340 -0.000 0.000 0.211 20 L C 2.155 179.101 176.870 0.126 0.000 1.089 20 L CA 1.691 56.603 54.840 0.120 0.000 0.757 20 L CB -0.570 41.570 42.059 0.136 0.000 0.899 20 L HN 0.148 nan 8.230 nan 0.000 0.434 21 M N -0.767 118.870 119.600 0.062 0.000 2.319 21 M HA -0.113 4.367 4.480 -0.000 0.000 0.265 21 M C 2.048 178.407 176.300 0.098 0.000 1.068 21 M CA 1.257 56.573 55.300 0.026 0.000 1.118 21 M CB -0.342 32.244 32.600 -0.023 0.000 1.395 21 M HN 0.268 nan 8.290 nan 0.000 0.435 22 E N -0.376 119.873 120.200 0.082 0.000 2.047 22 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 22 E C 2.081 178.738 176.600 0.094 0.000 0.987 22 E CA 1.359 57.805 56.400 0.077 0.000 0.799 22 E CB -0.038 29.692 29.700 0.051 0.000 0.752 22 E HN 0.288 nan 8.360 nan 0.000 0.449 23 R N -0.976 119.595 120.500 0.117 0.000 2.127 23 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 23 R C 2.066 178.462 176.300 0.159 0.000 1.134 23 R CA 1.311 57.495 56.100 0.141 0.000 0.975 23 R CB -0.439 29.971 30.300 0.184 0.000 0.865 23 R HN 0.264 nan 8.270 nan 0.000 0.447 24 F N 0.802 120.717 119.950 -0.059 0.000 2.259 24 F HA -0.056 4.471 4.527 -0.000 0.000 0.298 24 F C 1.567 177.267 175.800 -0.167 0.000 1.088 24 F CA 1.210 59.033 58.000 -0.295 0.000 1.358 24 F CB 0.180 38.812 39.000 -0.614 0.000 1.040 24 F HN -0.145 nan 8.300 nan 0.000 0.505 25 K N 0.268 120.720 120.400 0.087 0.000 2.097 25 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 25 K C 1.932 178.493 176.600 -0.066 0.000 1.050 25 K CA 1.558 57.854 56.287 0.014 0.000 0.938 25 K CB -0.168 32.375 32.500 0.072 0.000 0.718 25 K HN 0.376 nan 8.250 nan 0.000 0.442 26 E N 1.117 121.298 120.200 -0.033 0.000 2.107 26 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 26 E C 0.448 177.013 176.600 -0.059 0.000 0.982 26 E CA 0.397 56.779 56.400 -0.031 0.000 0.809 26 E CB -0.424 29.278 29.700 0.003 0.000 0.756 26 E HN 0.201 nan 8.360 nan 0.000 0.459 27 D N 3.143 123.495 120.400 -0.080 0.000 2.554 27 D HA -0.071 4.569 4.640 -0.000 0.000 0.251 27 D C -1.409 174.815 176.300 -0.126 0.000 1.213 27 D CA -0.979 52.975 54.000 -0.077 0.000 0.900 27 D CB 0.901 41.663 40.800 -0.065 0.000 1.135 27 D HN -0.011 nan 8.370 nan 0.000 0.522 28 P HA -0.008 nan 4.420 nan 0.000 0.245 28 P C -0.069 177.186 177.300 -0.074 0.000 1.212 28 P CA 0.137 63.194 63.100 -0.071 0.000 0.774 28 P CB 0.297 31.970 31.700 -0.044 0.000 0.999 29 R N 0.183 120.635 120.500 -0.078 0.000 2.210 29 R HA 0.268 4.608 4.340 -0.000 0.000 0.338 29 R C 1.312 177.562 176.300 -0.084 0.000 1.062 29 R CA -0.129 55.935 56.100 -0.059 0.000 0.902 29 R CB 0.264 30.549 30.300 -0.026 0.000 1.050 29 R HN -0.029 nan 8.270 nan 0.000 0.461 30 S N 1.791 117.453 115.700 -0.063 0.000 2.442 30 S HA -0.145 4.325 4.470 -0.000 0.000 0.236 30 S C 1.209 175.784 174.600 -0.042 0.000 1.007 30 S CA 1.529 59.693 58.200 -0.060 0.000 0.965 30 S CB -0.098 63.078 63.200 -0.040 0.000 0.773 30 S HN 0.732 nan 8.310 nan 0.000 0.504 31 D N 1.911 122.300 120.400 -0.019 0.000 2.328 31 D HA -0.054 4.586 4.640 -0.000 0.000 0.226 31 D C 0.386 176.708 176.300 0.036 0.000 1.066 31 D CA -0.108 53.896 54.000 0.007 0.000 0.861 31 D CB -0.444 40.367 40.800 0.019 0.000 0.912 31 D HN 0.435 nan 8.370 nan 0.000 0.521 32 K N 0.438 120.852 120.400 0.023 0.000 2.489 32 K HA 0.210 4.530 4.320 -0.000 0.000 0.278 32 K C -0.452 176.266 176.600 0.198 0.000 1.000 32 K CA -0.379 55.975 56.287 0.111 0.000 1.012 32 K CB 1.103 33.560 32.500 -0.071 0.000 0.903 32 K HN -0.159 nan 8.250 nan 0.000 0.485 33 V N 2.620 122.720 119.914 0.309 0.000 2.409 33 V HA 0.097 4.217 4.120 -0.000 0.000 0.291 33 V C -0.417 175.855 176.094 0.296 0.000 1.020 33 V CA -1.064 61.371 62.300 0.225 0.000 0.848 33 V CB 1.240 33.127 31.823 0.107 0.000 0.990 33 V HN 0.818 nan 8.190 nan 0.000 0.430 34 N N 4.461 123.224 118.700 0.105 0.000 2.469 34 N HA 0.278 5.018 4.740 -0.000 0.000 0.239 34 N C -0.128 175.350 175.510 -0.053 0.000 1.053 34 N CA -0.357 52.617 53.050 -0.125 0.000 0.937 34 N CB 1.233 39.399 38.487 -0.535 0.000 1.163 34 N HN 0.480 nan 8.380 nan 0.000 0.509 35 L N 2.295 123.562 121.223 0.073 0.000 2.808 35 L HA 0.190 4.530 4.340 -0.000 0.000 0.246 35 L C 1.872 178.839 176.870 0.161 0.000 1.153 35 L CA 0.357 55.268 54.840 0.119 0.000 0.956 35 L CB -0.535 41.618 42.059 0.158 0.000 1.270 35 L HN 0.604 nan 8.230 nan 0.000 0.528 36 S N -1.428 114.339 115.700 0.113 0.000 2.470 36 S HA 0.156 4.626 4.470 -0.000 0.000 0.222 36 S C 0.845 175.532 174.600 0.144 0.000 1.024 36 S CA -0.032 58.248 58.200 0.133 0.000 0.931 36 S CB 0.076 63.349 63.200 0.122 0.000 0.791 36 S HN 0.145 nan 8.310 nan 0.000 0.513 37 I N 2.395 123.033 120.570 0.115 0.000 2.365 37 I HA 0.574 4.744 4.170 -0.000 0.000 0.291 37 I C 0.728 177.000 176.117 0.260 0.000 1.004 37 I CA -0.360 61.029 61.300 0.148 0.000 1.311 37 I CB 1.194 39.223 38.000 0.048 0.000 1.401 37 I HN 0.210 nan 8.210 nan 0.000 0.491 38 G N 8.321 117.329 108.800 0.346 0.000 3.102 38 G HA2 0.382 4.342 3.960 -0.000 0.000 0.264 38 G HA3 0.382 4.342 3.960 -0.000 0.000 0.264 38 G C -0.379 174.687 174.900 0.276 0.000 0.788 38 G CA -0.226 45.149 45.100 0.458 0.000 2.029 38 G HN 0.467 nan 8.290 nan 0.000 0.608 39 L N 0.020 121.307 121.223 0.108 0.000 2.323 39 L HA 0.456 4.796 4.340 -0.000 0.000 0.265 39 L C -0.673 176.136 176.870 -0.101 0.000 1.012 39 L CA -1.584 53.209 54.840 -0.078 0.000 0.820 39 L CB 2.123 43.866 42.059 -0.526 0.000 1.334 39 L HN 0.275 nan 8.230 nan 0.000 0.427 40 Y N 1.280 121.556 120.300 -0.040 0.000 2.350 40 Y HA 0.427 4.977 4.550 -0.000 0.000 0.340 40 Y C -1.115 174.639 175.900 -0.243 0.000 1.006 40 Y CA -0.340 57.734 58.100 -0.044 0.000 1.166 40 Y CB 0.380 38.932 38.460 0.153 0.000 1.168 40 Y HN 0.252 nan 8.280 nan 0.000 0.502 41 Y N 4.745 124.565 120.300 -0.800 0.000 2.487 41 Y HA 0.296 4.846 4.550 -0.000 0.000 0.337 41 Y C 0.395 175.788 175.900 -0.844 0.000 1.076 41 Y CA -1.194 56.561 58.100 -0.575 0.000 1.115 41 Y CB 0.796 39.072 38.460 -0.307 0.000 1.235 41 Y HN 0.745 nan 8.280 nan 0.000 0.468 42 N N 0.088 118.716 118.700 -0.120 0.000 2.332 42 N HA -0.000 4.740 4.740 -0.000 0.000 0.282 42 N C 0.964 176.456 175.510 -0.029 0.000 1.288 42 N CA -0.118 52.931 53.050 -0.003 0.000 0.949 42 N CB 0.154 38.720 38.487 0.131 0.000 1.108 42 N HN 0.670 nan 8.380 nan 0.000 0.542 43 E N -0.863 119.343 120.200 0.009 0.000 2.106 43 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 43 E C 0.468 177.058 176.600 -0.017 0.000 0.984 43 E CA 1.353 57.746 56.400 -0.012 0.000 0.806 43 E CB -0.546 29.155 29.700 0.001 0.000 0.750 43 E HN 0.540 nan 8.360 nan 0.000 0.458 44 D N -0.751 119.653 120.400 0.005 0.000 2.378 44 D HA 0.028 4.668 4.640 -0.000 0.000 0.227 44 D C 1.044 177.342 176.300 -0.003 0.000 1.012 44 D CA 1.083 55.086 54.000 0.007 0.000 0.905 44 D CB 0.013 40.828 40.800 0.027 0.000 0.895 44 D HN 0.396 nan 8.370 nan 0.000 0.532 45 G N 1.241 110.031 108.800 -0.016 0.000 2.159 45 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.256 45 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.256 45 G C 0.391 175.339 174.900 0.079 0.000 0.977 45 G CA 0.515 45.580 45.100 -0.058 0.000 0.652 45 G HN 0.482 nan 8.290 nan 0.000 0.531 46 I N -1.236 119.419 120.570 0.140 0.000 2.607 46 I HA 0.779 4.949 4.170 -0.000 0.000 0.305 46 I C 0.455 176.694 176.117 0.203 0.000 0.995 46 I CA -1.820 59.601 61.300 0.202 0.000 1.148 46 I CB 1.203 39.278 38.000 0.124 0.000 1.323 46 I HN 0.025 nan 8.210 nan 0.000 0.461 47 I N 6.404 127.069 120.570 0.157 0.000 2.452 47 I HA 0.255 4.425 4.170 -0.000 0.000 0.287 47 I C -1.917 174.302 176.117 0.170 0.000 1.079 47 I CA -1.439 59.918 61.300 0.095 0.000 1.387 47 I CB 0.245 38.249 38.000 0.007 0.000 1.404 47 I HN 0.519 nan 8.210 nan 0.000 0.522 48 P HA 0.131 nan 4.420 nan 0.000 0.290 48 P C -1.106 176.306 177.300 0.187 0.000 1.276 48 P CA -0.702 62.515 63.100 0.194 0.000 0.808 48 P CB 1.267 33.094 31.700 0.212 0.000 0.966 49 Q N 3.082 122.974 119.800 0.153 0.000 2.307 49 Q HA 0.204 4.544 4.340 -0.000 0.000 0.261 49 Q C -0.314 175.764 176.000 0.131 0.000 1.051 49 Q CA -0.040 55.851 55.803 0.147 0.000 0.911 49 Q CB -0.340 28.474 28.738 0.126 0.000 1.227 49 Q HN 0.367 nan 8.270 nan 0.000 0.418 50 L N 4.155 125.461 121.223 0.139 0.000 2.483 50 L HA -0.060 4.280 4.340 -0.000 0.000 0.276 50 L C 1.521 178.455 176.870 0.106 0.000 1.213 50 L CA -0.129 54.783 54.840 0.119 0.000 0.843 50 L CB 0.316 42.460 42.059 0.142 0.000 1.107 50 L HN 0.772 nan 8.230 nan 0.000 0.487 51 Q N 2.459 122.310 119.800 0.085 0.000 2.077 51 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 51 Q C 2.076 178.124 176.000 0.080 0.000 0.989 51 Q CA 2.078 57.925 55.803 0.072 0.000 0.853 51 Q CB -0.205 28.567 28.738 0.056 0.000 0.907 51 Q HN 0.888 nan 8.270 nan 0.000 0.418 52 A N 0.408 123.289 122.820 0.102 0.000 1.930 52 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 52 A C 2.469 180.107 177.584 0.090 0.000 1.175 52 A CA 1.271 53.371 52.037 0.105 0.000 0.627 52 A CB -0.557 18.540 19.000 0.161 0.000 0.815 52 A HN 0.196 nan 8.150 nan 0.000 0.443 53 V N -0.069 119.914 119.914 0.114 0.000 2.261 53 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 53 V C 3.077 179.212 176.094 0.068 0.000 1.047 53 V CA 1.902 64.260 62.300 0.096 0.000 1.015 53 V CB -1.323 30.584 31.823 0.140 0.000 0.642 53 V HN 0.617 nan 8.190 nan 0.000 0.446 54 A N 0.229 123.098 122.820 0.081 0.000 1.859 54 A HA -0.343 3.977 4.320 -0.000 0.000 0.217 54 A C 2.205 179.823 177.584 0.056 0.000 1.198 54 A CA 2.496 54.577 52.037 0.074 0.000 0.629 54 A CB -0.730 18.314 19.000 0.073 0.000 0.830 54 A HN 0.602 nan 8.150 nan 0.000 0.446 55 E N 0.029 120.258 120.200 0.048 0.000 2.118 55 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 55 E C 1.953 178.565 176.600 0.021 0.000 0.992 55 E CA 1.740 58.160 56.400 0.034 0.000 0.804 55 E CB -0.455 29.265 29.700 0.032 0.000 0.741 55 E HN 0.505 nan 8.360 nan 0.000 0.458 56 A N 0.800 123.630 122.820 0.015 0.000 1.902 56 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 56 A C 2.039 179.613 177.584 -0.016 0.000 1.181 56 A CA 1.752 53.781 52.037 -0.014 0.000 0.623 56 A CB -0.612 18.364 19.000 -0.040 0.000 0.818 56 A HN 0.408 nan 8.150 nan 0.000 0.443 57 E N -0.010 120.193 120.200 0.005 0.000 2.110 57 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 57 E C 2.319 178.954 176.600 0.058 0.000 0.988 57 E CA 0.846 57.275 56.400 0.049 0.000 0.804 57 E CB -0.358 29.412 29.700 0.116 0.000 0.745 57 E HN 0.609 nan 8.360 nan 0.000 0.458 58 A N 2.058 124.904 122.820 0.042 0.000 1.873 58 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 58 A C 2.159 179.747 177.584 0.007 0.000 1.193 58 A CA 1.693 53.747 52.037 0.028 0.000 0.629 58 A CB -0.508 18.508 19.000 0.026 0.000 0.826 58 A HN 0.100 nan 8.150 nan 0.000 0.447 59 R N -0.706 119.795 120.500 0.001 0.000 2.081 59 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 59 R C 2.135 178.421 176.300 -0.024 0.000 1.131 59 R CA 1.440 57.533 56.100 -0.012 0.000 0.960 59 R CB -0.548 29.745 30.300 -0.012 0.000 0.856 59 R HN 0.505 nan 8.270 nan 0.000 0.436 60 L N 0.697 121.913 121.223 -0.010 0.000 2.046 60 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 60 L C 2.355 179.192 176.870 -0.054 0.000 1.077 60 L CA 1.327 56.167 54.840 -0.001 0.000 0.747 60 L CB -0.524 41.558 42.059 0.038 0.000 0.896 60 L HN 0.345 nan 8.230 nan 0.000 0.432 61 N N -0.240 118.442 118.700 -0.030 0.000 2.396 61 N HA -0.124 4.616 4.740 -0.000 0.000 0.180 61 N C 1.790 177.192 175.510 -0.179 0.000 1.028 61 N CA 0.783 53.770 53.050 -0.105 0.000 0.893 61 N CB 0.220 38.720 38.487 0.021 0.000 0.967 61 N HN 0.320 nan 8.380 nan 0.000 0.440 62 A N 1.117 123.871 122.820 -0.110 0.000 1.929 62 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 62 A C 1.031 178.543 177.584 -0.119 0.000 1.176 62 A CA 0.462 52.443 52.037 -0.092 0.000 0.628 62 A CB -0.353 18.618 19.000 -0.048 0.000 0.816 62 A HN 0.613 nan 8.150 nan 0.000 0.444 63 Q N 1.168 120.889 119.800 -0.132 0.000 2.340 63 Q HA 0.414 4.754 4.340 -0.000 0.000 0.249 63 Q C -2.423 173.489 176.000 -0.147 0.000 0.957 63 Q CA -1.945 53.795 55.803 -0.104 0.000 0.882 63 Q CB -0.010 28.694 28.738 -0.057 0.000 1.235 63 Q HN 0.229 nan 8.270 nan 0.000 0.439 64 P HA -0.132 nan 4.420 nan 0.000 0.266 64 P C -1.171 176.162 177.300 0.054 0.000 1.186 64 P CA 0.612 63.698 63.100 -0.023 0.000 0.767 64 P CB 0.337 32.041 31.700 0.006 0.000 0.820 65 H N 0.379 119.450 119.070 0.002 0.000 2.725 65 H HA 0.336 4.892 4.556 -0.000 0.000 0.283 65 H C 1.163 176.489 175.328 -0.004 0.000 1.110 65 H CA -0.864 55.185 56.048 0.002 0.000 1.289 65 H CB 0.870 30.634 29.762 0.004 0.000 1.400 65 H HN 0.566 nan 8.280 nan 0.000 0.493 66 G N 1.947 110.805 108.800 0.097 0.000 2.647 66 G HA2 0.288 4.248 3.960 -0.000 0.000 0.271 66 G HA3 0.288 4.248 3.960 -0.000 0.000 0.271 66 G C 0.053 174.916 174.900 -0.062 0.000 1.300 66 G CA -0.069 45.038 45.100 0.012 0.000 0.997 66 G HN 0.623 nan 8.290 nan 0.000 0.533 67 A N -0.885 121.892 122.820 -0.072 0.000 2.271 67 A HA 0.583 4.903 4.320 -0.000 0.000 0.288 67 A C 0.767 178.277 177.584 -0.123 0.000 1.094 67 A CA -0.061 51.910 52.037 -0.112 0.000 0.828 67 A CB 0.731 19.674 19.000 -0.094 0.000 1.091 67 A HN 0.817 nan 8.150 nan 0.000 0.493 68 S N 0.688 116.303 115.700 -0.142 0.000 2.416 68 S HA 0.394 4.864 4.470 -0.000 0.000 0.302 68 S C 0.030 174.548 174.600 -0.137 0.000 1.120 68 S CA -0.325 57.800 58.200 -0.124 0.000 1.067 68 S CB -1.218 61.913 63.200 -0.114 0.000 1.057 68 S HN 0.431 nan 8.310 nan 0.000 0.518 69 L N 4.255 125.416 121.223 -0.103 0.000 2.456 69 L HA 0.385 4.725 4.340 -0.000 0.000 0.257 69 L C 0.177 177.018 176.870 -0.048 0.000 1.162 69 L CA -0.914 53.861 54.840 -0.108 0.000 0.808 69 L CB 0.313 42.349 42.059 -0.038 0.000 1.136 69 L HN 0.552 nan 8.230 nan 0.000 0.466 70 Y N 1.105 121.400 120.300 -0.008 0.000 2.597 70 Y HA 0.056 4.606 4.550 -0.000 0.000 0.336 70 Y C 0.581 176.478 175.900 -0.005 0.000 1.216 70 Y CA -0.375 57.723 58.100 -0.004 0.000 1.463 70 Y CB 0.490 38.949 38.460 -0.002 0.000 1.303 70 Y HN 0.317 nan 8.280 nan 0.000 0.576 71 L N 5.438 126.775 121.223 0.191 0.000 2.418 71 L HA 0.272 4.612 4.340 -0.000 0.000 0.265 71 L C -1.987 174.925 176.870 0.070 0.000 1.143 71 L CA -2.051 52.846 54.840 0.095 0.000 0.809 71 L CB 0.514 42.611 42.059 0.063 0.000 1.124 71 L HN 0.407 nan 8.230 nan 0.000 0.456 72 P HA 0.043 nan 4.420 nan 0.000 0.269 72 P C 0.595 177.894 177.300 -0.003 0.000 1.217 72 P CA 0.084 63.190 63.100 0.009 0.000 0.783 72 P CB 0.469 32.177 31.700 0.014 0.000 0.898 73 M N 1.047 120.625 119.600 -0.037 0.000 2.267 73 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 73 M C 1.594 177.882 176.300 -0.021 0.000 1.063 73 M CA 1.604 56.868 55.300 -0.060 0.000 1.090 73 M CB -0.525 32.014 32.600 -0.100 0.000 1.392 73 M HN 0.450 nan 8.290 nan 0.000 0.422 74 E N 0.664 120.865 120.200 0.001 0.000 2.489 74 E HA 0.216 4.566 4.350 -0.000 0.000 0.193 74 E C 0.921 177.556 176.600 0.058 0.000 1.057 74 E CA 0.846 57.263 56.400 0.027 0.000 0.866 74 E CB -0.157 29.557 29.700 0.024 0.000 0.916 74 E HN 0.436 nan 8.360 nan 0.000 0.500 75 G N 1.133 109.960 108.800 0.045 0.000 2.685 75 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.387 75 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.387 75 G C -0.920 174.004 174.900 0.040 0.000 1.324 75 G CA -0.361 44.756 45.100 0.028 0.000 0.878 75 G HN 0.255 nan 8.290 nan 0.000 0.527 76 L N 1.091 122.322 121.223 0.013 0.000 2.410 76 L HA 0.407 4.747 4.340 -0.000 0.000 0.273 76 L C 1.610 178.540 176.870 0.100 0.000 1.144 76 L CA 0.938 55.799 54.840 0.035 0.000 0.863 76 L CB 0.561 42.617 42.059 -0.005 0.000 1.140 76 L HN 0.825 nan 8.230 nan 0.000 0.463 77 N N 2.832 121.564 118.700 0.053 0.000 2.018 77 N HA -0.231 4.509 4.740 -0.000 0.000 0.196 77 N C 1.747 177.280 175.510 0.039 0.000 1.043 77 N CA 2.591 55.661 53.050 0.035 0.000 0.856 77 N CB -0.158 38.291 38.487 -0.062 0.000 1.042 77 N HN 0.881 nan 8.380 nan 0.000 0.423 78 C N -1.045 118.250 119.300 -0.009 0.000 2.422 78 C HA 0.008 4.468 4.460 -0.000 0.000 0.286 78 C C 2.429 177.457 174.990 0.063 0.000 1.412 78 C CA 0.080 59.096 59.018 -0.003 0.000 1.786 78 C CB -2.194 25.526 27.740 -0.033 0.000 1.835 78 C HN 0.550 nan 8.230 nan 0.000 0.533 79 Y N 2.251 122.531 120.300 -0.033 0.000 2.231 79 Y HA 0.064 4.614 4.550 -0.000 0.000 0.294 79 Y C 2.777 178.689 175.900 0.020 0.000 1.120 79 Y CA 1.247 59.315 58.100 -0.053 0.000 1.141 79 Y CB -0.391 38.024 38.460 -0.076 0.000 1.022 79 Y HN 0.062 nan 8.280 nan 0.000 0.523 80 R N -0.713 119.930 120.500 0.238 0.000 2.091 80 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 80 R C 1.891 178.239 176.300 0.079 0.000 1.136 80 R CA 1.913 58.103 56.100 0.150 0.000 0.959 80 R CB -0.787 29.643 30.300 0.217 0.000 0.856 80 R HN 0.451 nan 8.270 nan 0.000 0.437 81 H N 0.088 119.145 119.070 -0.023 0.000 2.456 81 H HA 0.018 4.574 4.556 -0.000 0.000 0.296 81 H C 1.872 177.169 175.328 -0.052 0.000 1.079 81 H CA 1.329 57.359 56.048 -0.029 0.000 1.322 81 H CB -0.085 29.666 29.762 -0.018 0.000 1.388 81 H HN 0.317 nan 8.280 nan 0.000 0.538 82 A N 0.072 122.889 122.820 -0.004 0.000 2.016 82 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 82 A C 2.306 179.835 177.584 -0.092 0.000 1.162 82 A CA 0.615 52.604 52.037 -0.080 0.000 0.662 82 A CB -0.367 18.529 19.000 -0.173 0.000 0.812 82 A HN 0.323 nan 8.150 nan 0.000 0.450 83 I N -0.210 120.288 120.570 -0.120 0.000 2.142 83 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 83 I C 3.032 179.162 176.117 0.022 0.000 1.078 83 I CA 1.049 62.320 61.300 -0.048 0.000 1.343 83 I CB -0.452 37.500 38.000 -0.079 0.000 1.046 83 I HN 0.362 nan 8.210 nan 0.000 0.405 84 A N 1.857 124.700 122.820 0.038 0.000 1.859 84 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 84 A C 0.010 177.713 177.584 0.197 0.000 1.198 84 A CA 2.168 54.296 52.037 0.152 0.000 0.629 84 A CB -2.215 16.800 19.000 0.026 0.000 0.830 84 A HN 0.300 nan 8.150 nan 0.000 0.446 85 P HA -0.113 nan 4.420 nan 0.000 0.222 85 P C 1.544 178.902 177.300 0.097 0.000 1.147 85 P CA 1.008 64.173 63.100 0.108 0.000 0.790 85 P CB -0.110 31.632 31.700 0.069 0.000 0.780 86 L N -1.055 120.213 121.223 0.076 0.000 2.095 86 L HA -0.033 4.307 4.340 -0.000 0.000 0.204 86 L C 2.269 179.145 176.870 0.011 0.000 1.080 86 L CA 1.552 56.441 54.840 0.083 0.000 0.759 86 L CB -1.321 40.817 42.059 0.131 0.000 0.914 86 L HN -0.206 nan 8.230 nan 0.000 0.439 87 L N -1.282 119.895 121.223 -0.077 0.000 2.072 87 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 87 L C 2.000 178.577 176.870 -0.489 0.000 1.079 87 L CA 1.903 56.535 54.840 -0.347 0.000 0.752 87 L CB -0.724 41.002 42.059 -0.554 0.000 0.906 87 L HN 0.209 nan 8.230 nan 0.000 0.436 88 F N -0.944 118.961 119.950 -0.076 0.000 2.656 88 F HA 0.479 5.006 4.527 -0.000 0.000 0.291 88 F C 1.279 177.088 175.800 0.014 0.000 1.122 88 F CA 0.357 58.282 58.000 -0.124 0.000 1.427 88 F CB -0.183 38.672 39.000 -0.242 0.000 1.125 88 F HN 0.049 nan 8.300 nan 0.000 0.583 89 G N 0.292 109.194 108.800 0.171 0.000 2.907 89 G HA2 0.120 4.080 3.960 -0.000 0.000 0.686 89 G HA3 0.120 4.080 3.960 -0.000 0.000 0.686 89 G C 0.587 175.580 174.900 0.155 0.000 1.115 89 G CA -0.656 44.537 45.100 0.155 0.000 0.760 89 G HN 0.417 nan 8.290 nan 0.000 0.620 90 A N 0.598 123.482 122.820 0.107 0.000 2.076 90 A HA 0.040 4.360 4.320 -0.000 0.000 0.220 90 A C 1.758 179.388 177.584 0.078 0.000 1.160 90 A CA 2.380 54.466 52.037 0.083 0.000 0.653 90 A CB -0.091 18.946 19.000 0.061 0.000 0.801 90 A HN 0.686 nan 8.150 nan 0.000 0.455 91 D N -1.754 118.697 120.400 0.085 0.000 2.369 91 D HA 0.040 4.680 4.640 -0.000 0.000 0.211 91 D C 0.049 176.382 176.300 0.054 0.000 1.077 91 D CA -0.079 53.952 54.000 0.052 0.000 0.842 91 D CB -0.174 40.641 40.800 0.025 0.000 0.947 91 D HN 0.471 nan 8.370 nan 0.000 0.509 92 H N 1.635 120.718 119.070 0.023 0.000 2.886 92 H HA 0.043 4.599 4.556 -0.000 0.000 0.329 92 H C -1.528 173.782 175.328 -0.030 0.000 1.044 92 H CA -1.137 54.919 56.048 0.013 0.000 1.456 92 H CB 1.758 31.555 29.762 0.058 0.000 1.464 92 H HN -0.190 nan 8.280 nan 0.000 0.573 93 P HA -0.190 nan 4.420 nan 0.000 0.218 93 P C 1.570 178.907 177.300 0.062 0.000 1.146 93 P CA 0.665 63.781 63.100 0.027 0.000 0.813 93 P CB 0.305 31.985 31.700 -0.034 0.000 0.778 94 V N -1.100 118.913 119.914 0.165 0.000 2.809 94 V HA -0.139 3.981 4.120 -0.000 0.000 0.256 94 V C 1.844 177.824 176.094 -0.189 0.000 1.080 94 V CA 1.436 63.687 62.300 -0.082 0.000 1.102 94 V CB -0.760 30.883 31.823 -0.300 0.000 0.705 94 V HN 0.053 nan 8.190 nan 0.000 0.475 95 L N -1.011 120.139 121.223 -0.122 0.000 2.249 95 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 95 L C 2.471 179.292 176.870 -0.081 0.000 1.090 95 L CA 0.917 55.678 54.840 -0.133 0.000 0.802 95 L CB -0.378 41.638 42.059 -0.072 0.000 0.947 95 L HN 0.215 nan 8.230 nan 0.000 0.453 96 K N 0.062 120.436 120.400 -0.044 0.000 2.155 96 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 96 K C 1.893 178.466 176.600 -0.046 0.000 1.052 96 K CA 1.008 57.274 56.287 -0.035 0.000 0.948 96 K CB 0.000 32.488 32.500 -0.020 0.000 0.728 96 K HN 0.317 nan 8.250 nan 0.000 0.448 97 Q N 0.566 120.331 119.800 -0.058 0.000 2.472 97 Q HA -0.030 4.310 4.340 -0.000 0.000 0.208 97 Q C -0.226 175.727 176.000 -0.078 0.000 0.958 97 Q CA 0.195 55.962 55.803 -0.061 0.000 0.932 97 Q CB 0.255 28.957 28.738 -0.061 0.000 1.007 97 Q HN 0.190 nan 8.270 nan 0.000 0.508 98 Q N -0.097 119.643 119.800 -0.099 0.000 2.437 98 Q HA -0.248 4.092 4.340 -0.000 0.000 0.274 98 Q C 0.184 176.109 176.000 -0.125 0.000 1.165 98 Q CA 0.915 56.650 55.803 -0.113 0.000 0.925 98 Q CB -1.020 27.670 28.738 -0.080 0.000 1.327 98 Q HN 0.492 nan 8.270 nan 0.000 0.505 99 R N -1.531 118.879 120.500 -0.150 0.000 2.480 99 R HA 0.297 4.637 4.340 -0.000 0.000 0.277 99 R C -0.318 175.871 176.300 -0.185 0.000 1.008 99 R CA -0.251 55.762 56.100 -0.144 0.000 1.090 99 R CB 0.635 30.863 30.300 -0.120 0.000 1.234 99 R HN -0.008 nan 8.270 nan 0.000 0.549 100 V N 1.402 121.182 119.914 -0.223 0.000 2.409 100 V HA 0.531 4.651 4.120 -0.000 0.000 0.291 100 V C -0.007 175.988 176.094 -0.165 0.000 1.020 100 V CA -1.006 61.151 62.300 -0.238 0.000 0.848 100 V CB 1.460 33.053 31.823 -0.383 0.000 0.990 100 V HN 0.388 nan 8.190 nan 0.000 0.430 101 A N 3.867 126.605 122.820 -0.138 0.000 2.269 101 A HA 0.729 5.049 4.320 -0.000 0.000 0.302 101 A C 0.234 177.759 177.584 -0.098 0.000 1.266 101 A CA -0.233 51.731 52.037 -0.121 0.000 0.894 101 A CB 0.269 19.182 19.000 -0.144 0.000 1.147 101 A HN 0.741 nan 8.150 nan 0.000 0.537 102 T N 3.605 118.120 114.554 -0.066 0.000 2.824 102 T HA 0.623 4.973 4.350 -0.000 0.000 0.282 102 T C -0.026 174.681 174.700 0.010 0.000 0.993 102 T CA -0.173 61.913 62.100 -0.024 0.000 0.967 102 T CB 0.915 69.776 68.868 -0.012 0.000 0.960 102 T HN 0.737 nan 8.240 nan 0.000 0.441 103 I N 0.065 120.656 120.570 0.036 0.000 2.892 103 I HA 0.638 4.808 4.170 -0.000 0.000 0.306 103 I C -0.433 175.778 176.117 0.156 0.000 1.078 103 I CA -1.287 60.061 61.300 0.080 0.000 1.032 103 I CB 2.146 40.174 38.000 0.046 0.000 1.229 103 I HN 0.501 nan 8.210 nan 0.000 0.435 104 Q N 2.501 122.412 119.800 0.185 0.000 2.340 104 Q HA 0.514 4.854 4.340 -0.000 0.000 0.249 104 Q C -0.809 175.268 176.000 0.128 0.000 0.957 104 Q CA -0.133 55.788 55.803 0.196 0.000 0.882 104 Q CB 1.170 29.894 28.738 -0.024 0.000 1.235 104 Q HN 0.905 nan 8.270 nan 0.000 0.439 105 T N -0.301 114.312 114.554 0.099 0.000 2.841 105 T HA 0.431 4.781 4.350 -0.000 0.000 0.296 105 T C -0.443 174.247 174.700 -0.016 0.000 1.166 105 T CA -0.922 61.225 62.100 0.078 0.000 1.007 105 T CB 0.552 69.476 68.868 0.094 0.000 1.253 105 T HN 0.535 nan 8.240 nan 0.000 0.511 106 L N 2.490 123.659 121.223 -0.090 0.000 2.387 106 L HA 0.558 4.898 4.340 -0.000 0.000 0.267 106 L C 1.309 178.150 176.870 -0.049 0.000 1.197 106 L CA 0.577 55.336 54.840 -0.135 0.000 1.070 106 L CB -0.724 41.166 42.059 -0.283 0.000 1.349 106 L HN 1.315 nan 8.230 nan 0.000 0.422 107 G N 1.397 110.185 108.800 -0.020 0.000 2.782 107 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.228 107 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.228 107 G C 0.748 175.637 174.900 -0.018 0.000 1.372 107 G CA -0.356 44.737 45.100 -0.011 0.000 0.862 107 G HN 0.613 nan 8.290 nan 0.000 0.547 108 G N -0.794 107.977 108.800 -0.047 0.000 2.443 108 G HA2 0.089 4.049 3.960 -0.000 0.000 0.219 108 G HA3 0.089 4.049 3.960 -0.000 0.000 0.219 108 G C 2.106 177.054 174.900 0.080 0.000 1.131 108 G CA 2.106 47.190 45.100 -0.028 0.000 0.775 108 G HN 1.208 nan 8.290 nan 0.000 0.547 109 S N 0.663 116.436 115.700 0.123 0.000 2.351 109 S HA -0.102 4.368 4.470 -0.000 0.000 0.220 109 S C 2.568 177.228 174.600 0.100 0.000 1.035 109 S CA 1.429 59.736 58.200 0.177 0.000 1.031 109 S CB -0.768 62.541 63.200 0.181 0.000 0.928 109 S HN 0.523 nan 8.310 nan 0.000 0.433 110 G N 1.086 109.918 108.800 0.053 0.000 2.442 110 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.219 110 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.219 110 G C 1.520 176.479 174.900 0.100 0.000 1.141 110 G CA 1.093 46.218 45.100 0.041 0.000 0.763 110 G HN 0.591 nan 8.290 nan 0.000 0.554 111 A N 0.546 123.429 122.820 0.106 0.000 1.898 111 A HA 0.122 4.442 4.320 -0.000 0.000 0.216 111 A C 2.441 180.165 177.584 0.233 0.000 1.181 111 A CA 1.257 53.387 52.037 0.155 0.000 0.620 111 A CB -0.382 18.693 19.000 0.126 0.000 0.819 111 A HN 0.355 nan 8.150 nan 0.000 0.442 112 L N -0.649 120.674 121.223 0.167 0.000 2.012 112 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 112 L C 2.612 179.438 176.870 -0.074 0.000 1.073 112 L CA 1.933 56.802 54.840 0.048 0.000 0.748 112 L CB -0.462 41.618 42.059 0.036 0.000 0.891 112 L HN 0.369 nan 8.230 nan 0.000 0.431 113 K N 0.448 120.833 120.400 -0.025 0.000 1.985 113 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 113 K C 1.882 178.518 176.600 0.059 0.000 1.047 113 K CA 1.846 58.111 56.287 -0.038 0.000 0.932 113 K CB -0.789 31.722 32.500 0.018 0.000 0.716 113 K HN 0.012 nan 8.250 nan 0.000 0.439 114 V N 0.814 120.810 119.914 0.138 0.000 2.278 114 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 114 V C 2.345 178.578 176.094 0.232 0.000 1.062 114 V CA 2.296 64.701 62.300 0.174 0.000 1.038 114 V CB -1.305 30.622 31.823 0.174 0.000 0.646 114 V HN 0.645 nan 8.190 nan 0.000 0.447 115 G N -0.697 108.280 108.800 0.294 0.000 2.446 115 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 115 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 115 G C 1.765 176.998 174.900 0.554 0.000 1.168 115 G CA 1.148 46.524 45.100 0.461 0.000 0.771 115 G HN 0.642 nan 8.290 nan 0.000 0.551 116 A N 1.049 124.054 122.820 0.309 0.000 1.873 116 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 116 A C 2.114 179.910 177.584 0.355 0.000 1.186 116 A CA 2.089 54.284 52.037 0.264 0.000 0.616 116 A CB -0.504 18.274 19.000 -0.371 0.000 0.823 116 A HN 0.272 nan 8.150 nan 0.000 0.442 117 D N -0.910 119.609 120.400 0.199 0.000 2.116 117 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 117 D C 1.605 178.041 176.300 0.227 0.000 0.998 117 D CA 1.582 55.672 54.000 0.150 0.000 0.836 117 D CB -0.493 40.374 40.800 0.112 0.000 0.951 117 D HN 0.494 nan 8.370 nan 0.000 0.449 118 F N 1.181 121.248 119.950 0.195 0.000 2.102 118 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 118 F C 2.136 178.170 175.800 0.390 0.000 1.105 118 F CA 1.120 59.278 58.000 0.264 0.000 1.239 118 F CB -0.406 38.734 39.000 0.233 0.000 0.991 118 F HN -0.108 nan 8.300 nan 0.000 0.474 119 L N 0.262 121.716 121.223 0.386 0.000 2.042 119 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 119 L C 2.505 179.668 176.870 0.490 0.000 1.076 119 L CA 1.859 56.986 54.840 0.479 0.000 0.749 119 L CB -0.766 41.658 42.059 0.608 0.000 0.893 119 L HN 0.113 nan 8.230 nan 0.000 0.432 120 K N 0.460 121.075 120.400 0.359 0.000 2.147 120 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 120 K C 2.195 178.738 176.600 -0.094 0.000 1.049 120 K CA 1.349 57.629 56.287 -0.011 0.000 0.936 120 K CB -0.133 32.173 32.500 -0.323 0.000 0.722 120 K HN 0.041 nan 8.250 nan 0.000 0.446 121 R N -1.361 119.042 120.500 -0.162 0.000 2.075 121 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 121 R C 1.417 177.307 176.300 -0.683 0.000 1.126 121 R CA 1.647 57.505 56.100 -0.404 0.000 0.963 121 R CB -0.148 29.897 30.300 -0.424 0.000 0.858 121 R HN 0.278 nan 8.270 nan 0.000 0.435 122 Y N -1.978 118.108 120.300 -0.356 0.000 2.510 122 Y HA 0.158 4.708 4.550 -0.000 0.000 0.273 122 Y C 0.057 175.374 175.900 -0.971 0.000 1.119 122 Y CA 0.229 57.931 58.100 -0.663 0.000 1.286 122 Y CB 0.709 38.657 38.460 -0.854 0.000 1.061 122 Y HN -0.061 nan 8.280 nan 0.000 0.542 123 F N -0.025 119.957 119.950 0.053 0.000 2.576 123 F HA 0.347 4.874 4.527 -0.000 0.000 0.365 123 F C -1.898 173.990 175.800 0.148 0.000 1.506 123 F CA -2.142 55.930 58.000 0.121 0.000 1.113 123 F CB 0.590 39.696 39.000 0.177 0.000 1.293 123 F HN -0.163 nan 8.300 nan 0.000 0.540 124 P HA -0.175 nan 4.420 nan 0.000 0.219 124 P C 0.638 178.003 177.300 0.108 0.000 1.146 124 P CA 1.573 64.698 63.100 0.042 0.000 0.808 124 P CB 0.452 32.123 31.700 -0.048 0.000 0.779 125 E N -0.613 119.686 120.200 0.166 0.000 2.496 125 E HA 0.222 4.572 4.350 -0.000 0.000 0.200 125 E C 0.519 177.274 176.600 0.258 0.000 1.016 125 E CA -0.145 56.359 56.400 0.172 0.000 0.962 125 E CB 0.213 29.987 29.700 0.123 0.000 1.071 125 E HN 0.144 nan 8.360 nan 0.000 0.457 134 W N 4.322 125.586 121.300 -0.059 0.000 2.656 134 W HA 0.775 5.435 4.660 -0.000 0.000 0.327 134 W C -0.340 176.230 176.519 0.085 0.000 1.041 134 W CA -0.635 56.750 57.345 0.067 0.000 1.229 134 W CB 2.212 31.793 29.460 0.202 0.000 1.397 134 W HN 0.609 nan 8.180 nan 0.000 0.479 135 V N 0.337 120.277 119.914 0.044 0.000 3.113 135 V HA 0.674 4.794 4.120 -0.000 0.000 0.316 135 V C 0.110 175.749 176.094 -0.758 0.000 1.125 135 V CA -1.044 61.154 62.300 -0.169 0.000 1.026 135 V CB 1.168 32.921 31.823 -0.117 0.000 1.080 135 V HN 0.484 nan 8.190 nan 0.000 0.444 136 S N 0.430 115.702 115.700 -0.713 0.000 2.565 136 S HA 0.342 4.812 4.470 -0.000 0.000 0.276 136 S C -0.321 174.097 174.600 -0.304 0.000 1.326 136 S CA -0.149 57.535 58.200 -0.860 0.000 1.045 136 S CB 0.853 63.773 63.200 -0.467 0.000 0.918 136 S HN 1.053 nan 8.310 nan 0.000 0.505 137 D N 3.369 123.688 120.400 -0.135 0.000 2.428 137 D HA 0.482 5.122 4.640 -0.000 0.000 0.221 137 D C -2.220 174.178 176.300 0.164 0.000 1.123 137 D CA -1.890 52.133 54.000 0.037 0.000 0.869 137 D CB 0.939 41.786 40.800 0.079 0.000 1.032 137 D HN 0.352 nan 8.370 nan 0.000 0.506 138 P HA 0.399 nan 4.420 nan 0.000 0.289 138 P C -0.674 176.629 177.300 0.005 0.000 1.300 138 P CA -0.590 62.527 63.100 0.029 0.000 0.828 138 P CB 1.953 33.662 31.700 0.016 0.000 1.235 139 T N -1.522 113.018 114.554 -0.022 0.000 2.841 139 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 139 T C -1.710 172.977 174.700 -0.022 0.000 1.166 139 T CA -0.468 61.618 62.100 -0.023 0.000 1.007 139 T CB 0.326 69.288 68.868 0.157 0.000 1.253 139 T HN 0.333 nan 8.240 nan 0.000 0.511 140 W N 3.575 124.691 121.300 -0.307 0.000 2.443 140 W HA 0.156 4.816 4.660 -0.000 0.000 0.335 140 W C 1.484 177.855 176.519 -0.247 0.000 1.382 140 W CA -0.171 56.978 57.345 -0.327 0.000 1.305 140 W CB 0.235 29.405 29.460 -0.482 0.000 1.283 140 W HN 0.785 nan 8.180 nan 0.000 0.567 141 E N 3.945 123.939 120.200 -0.342 0.000 2.118 141 E HA -0.293 4.057 4.350 -0.000 0.000 0.195 141 E C 1.329 177.663 176.600 -0.443 0.000 0.992 141 E CA 1.905 58.123 56.400 -0.303 0.000 0.804 141 E CB 0.008 29.591 29.700 -0.196 0.000 0.741 141 E HN 0.682 nan 8.360 nan 0.000 0.458 142 N N -0.174 117.960 118.700 -0.944 0.000 2.417 142 N HA -0.155 4.585 4.740 -0.000 0.000 0.187 142 N C 1.499 176.746 175.510 -0.437 0.000 1.027 142 N CA 1.092 53.596 53.050 -0.910 0.000 0.891 142 N CB -0.532 36.987 38.487 -1.613 0.000 0.956 142 N HN 0.456 nan 8.380 nan 0.000 0.442 143 H N -0.742 118.128 119.070 -0.334 0.000 2.387 143 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 143 H C 1.650 176.995 175.328 0.028 0.000 1.090 143 H CA 1.017 57.059 56.048 -0.010 0.000 1.332 143 H CB 0.285 30.047 29.762 -0.000 0.000 1.386 143 H HN 0.043 nan 8.280 nan 0.000 0.516 144 V N 0.802 120.755 119.914 0.065 0.000 2.283 144 V HA -0.225 3.895 4.120 -0.000 0.000 0.243 144 V C 2.714 178.839 176.094 0.051 0.000 1.039 144 V CA 1.439 63.766 62.300 0.045 0.000 1.016 144 V CB -0.904 30.912 31.823 -0.011 0.000 0.650 144 V HN 0.505 nan 8.190 nan 0.000 0.449 145 A N 0.242 123.046 122.820 -0.026 0.000 1.903 145 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 145 A C 2.201 179.780 177.584 -0.008 0.000 1.191 145 A CA 2.396 54.409 52.037 -0.041 0.000 0.638 145 A CB -0.650 18.288 19.000 -0.102 0.000 0.823 145 A HN 0.511 nan 8.150 nan 0.000 0.451 146 I N -2.222 118.352 120.570 0.007 0.000 2.163 146 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 146 I C 2.355 178.460 176.117 -0.020 0.000 1.081 146 I CA 1.549 62.831 61.300 -0.029 0.000 1.353 146 I CB -0.431 37.541 38.000 -0.048 0.000 1.054 146 I HN 0.334 nan 8.210 nan 0.000 0.407 147 F N 0.721 120.697 119.950 0.042 0.000 2.206 147 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 147 F C 2.600 178.521 175.800 0.202 0.000 1.090 147 F CA 1.025 59.125 58.000 0.165 0.000 1.323 147 F CB -0.489 38.546 39.000 0.059 0.000 1.028 147 F HN -0.018 nan 8.300 nan 0.000 0.492 148 A N 0.228 123.193 122.820 0.240 0.000 1.930 148 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 148 A C 2.488 180.106 177.584 0.057 0.000 1.175 148 A CA 1.607 53.725 52.037 0.135 0.000 0.627 148 A CB -1.538 17.503 19.000 0.069 0.000 0.815 148 A HN 0.383 nan 8.150 nan 0.000 0.443 149 G N -0.862 107.955 108.800 0.028 0.000 2.471 149 G HA2 0.113 4.073 3.960 -0.000 0.000 0.219 149 G HA3 0.113 4.073 3.960 -0.000 0.000 0.219 149 G C 1.331 176.204 174.900 -0.045 0.000 1.125 149 G CA 1.036 46.123 45.100 -0.022 0.000 0.775 149 G HN 0.809 nan 8.290 nan 0.000 0.548 150 A N -0.653 122.145 122.820 -0.038 0.000 2.275 150 A HA 0.512 4.832 4.320 -0.000 0.000 0.212 150 A C 1.793 179.222 177.584 -0.259 0.000 1.201 150 A CA 1.178 53.155 52.037 -0.100 0.000 0.843 150 A CB -0.183 18.790 19.000 -0.045 0.000 0.873 150 A HN 1.472 nan 8.150 nan 0.000 0.492 151 G N -2.027 106.647 108.800 -0.211 0.000 2.154 151 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.186 151 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.186 151 G C -0.001 174.711 174.900 -0.312 0.000 1.000 151 G CA -0.067 44.869 45.100 -0.273 0.000 0.664 151 G HN 0.298 nan 8.290 nan 0.000 0.513 155 V N 2.346 122.179 119.914 -0.135 0.000 2.417 155 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 155 V C -0.147 175.749 176.094 -0.330 0.000 1.024 155 V CA -0.330 61.841 62.300 -0.215 0.000 0.861 155 V CB 1.772 33.541 31.823 -0.090 0.000 0.985 155 V HN 0.624 nan 8.190 nan 0.000 0.436 156 S N 2.045 117.406 115.700 -0.566 0.000 2.709 156 S HA 0.780 5.250 4.470 -0.000 0.000 0.302 156 S C -0.078 174.356 174.600 -0.276 0.000 1.127 156 S CA -0.740 57.150 58.200 -0.517 0.000 0.905 156 S CB 2.214 64.913 63.200 -0.834 0.000 1.151 156 S HN 0.905 nan 8.310 nan 0.000 0.510 157 T N -0.238 114.288 114.554 -0.046 0.000 2.925 157 T HA 0.729 5.079 4.350 -0.000 0.000 0.285 157 T C -0.897 173.975 174.700 0.286 0.000 1.021 157 T CA -0.724 61.395 62.100 0.032 0.000 1.042 157 T CB 0.640 69.499 68.868 -0.014 0.000 1.037 157 T HN 0.626 nan 8.240 nan 0.000 0.481 158 Y N -0.846 119.628 120.300 0.290 0.000 2.487 158 Y HA 0.765 5.315 4.550 -0.000 0.000 0.337 158 Y C -3.087 172.950 175.900 0.228 0.000 1.076 158 Y CA -3.666 54.584 58.100 0.251 0.000 1.115 158 Y CB 0.345 38.937 38.460 0.220 0.000 1.235 158 Y HN 0.375 nan 8.280 nan 0.000 0.468 159 P HA -0.042 nan 4.420 nan 0.000 0.268 159 P C -0.576 176.994 177.300 0.451 0.000 1.204 159 P CA 0.226 63.498 63.100 0.288 0.000 0.768 159 P CB 0.760 32.562 31.700 0.169 0.000 0.842 160 W N 3.465 124.824 121.300 0.097 0.000 4.565 160 W HA 0.156 4.816 4.660 -0.000 0.000 0.169 160 W C -0.355 176.175 176.519 0.018 0.000 3.393 160 W CA 0.022 57.402 57.345 0.059 0.000 1.387 160 W CB -0.411 29.044 29.460 -0.009 0.000 1.999 160 W HN 0.108 nan 8.180 nan 0.000 0.487 161 Y N 3.801 124.177 120.300 0.128 0.000 2.511 161 Y HA 0.101 4.651 4.550 -0.000 0.000 0.332 161 Y C -0.152 175.742 175.900 -0.011 0.000 1.177 161 Y CA 1.029 59.128 58.100 -0.001 0.000 1.422 161 Y CB 0.437 38.929 38.460 0.054 0.000 1.271 161 Y HN -0.147 nan 8.280 nan 0.000 0.550 162 D N 5.487 125.466 120.400 -0.701 0.000 2.440 162 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 162 D C 0.400 176.343 176.300 -0.594 0.000 1.084 162 D CA -0.387 53.345 54.000 -0.445 0.000 0.843 162 D CB 0.971 41.558 40.800 -0.356 0.000 1.097 162 D HN 0.820 nan 8.370 nan 0.000 0.531 163 E N 2.446 122.520 120.200 -0.210 0.000 2.338 163 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 163 E C 1.234 177.761 176.600 -0.121 0.000 1.007 163 E CA 0.454 56.823 56.400 -0.052 0.000 0.849 163 E CB 0.162 29.936 29.700 0.124 0.000 0.774 163 E HN 0.349 nan 8.360 nan 0.000 0.506 164 A N 2.283 125.016 122.820 -0.145 0.000 1.843 164 A HA -0.126 4.194 4.320 -0.000 0.000 0.213 164 A C 2.557 180.040 177.584 -0.168 0.000 1.202 164 A CA 1.860 53.819 52.037 -0.130 0.000 0.607 164 A CB -1.050 17.892 19.000 -0.097 0.000 0.847 164 A HN 0.397 nan 8.150 nan 0.000 0.445 165 T N -3.052 111.382 114.554 -0.199 0.000 2.995 165 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 165 T C 0.716 175.279 174.700 -0.228 0.000 1.091 165 T CA 1.268 63.254 62.100 -0.190 0.000 1.128 165 T CB -0.728 68.032 68.868 -0.179 0.000 0.891 165 T HN 0.622 nan 8.240 nan 0.000 0.492 166 N N 0.434 118.915 118.700 -0.364 0.000 2.800 166 N HA -0.125 4.615 4.740 -0.000 0.000 0.250 166 N C 0.362 175.725 175.510 -0.245 0.000 1.078 166 N CA 0.475 53.328 53.050 -0.329 0.000 0.804 166 N CB -1.375 36.948 38.487 -0.273 0.000 1.135 166 N HN 0.764 nan 8.380 nan 0.000 0.565 167 G N -1.066 107.507 108.800 -0.380 0.000 3.211 167 G HA2 0.730 4.690 3.960 -0.000 0.000 0.167 167 G HA3 0.730 4.690 3.960 -0.000 0.000 0.167 167 G C -0.783 173.844 174.900 -0.454 0.000 1.212 167 G CA -0.249 44.676 45.100 -0.292 0.000 0.928 167 G HN 0.081 nan 8.290 nan 0.000 0.607 168 V N 0.575 120.228 119.914 -0.435 0.000 2.483 168 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 168 V C 0.029 175.915 176.094 -0.347 0.000 1.035 168 V CA -0.710 61.248 62.300 -0.570 0.000 0.896 168 V CB 1.579 32.873 31.823 -0.882 0.000 0.986 168 V HN 0.573 nan 8.190 nan 0.000 0.447 169 R N 3.277 123.609 120.500 -0.280 0.000 3.247 169 R HA 0.150 4.490 4.340 -0.000 0.000 0.212 169 R C 0.843 177.086 176.300 -0.095 0.000 1.604 169 R CA -0.054 55.960 56.100 -0.143 0.000 1.279 169 R CB -0.331 29.917 30.300 -0.087 0.000 1.277 169 R HN 0.821 nan 8.270 nan 0.000 0.669 170 F N 2.356 122.161 119.950 -0.241 0.000 2.102 170 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 170 F C 1.403 177.121 175.800 -0.136 0.000 1.105 170 F CA 1.761 59.628 58.000 -0.222 0.000 1.239 170 F CB 0.104 38.968 39.000 -0.228 0.000 0.991 170 F HN 0.387 nan 8.300 nan 0.000 0.474 171 N N -0.020 118.532 118.700 -0.246 0.000 2.166 171 N HA -0.207 4.533 4.740 -0.000 0.000 0.186 171 N C 1.200 176.569 175.510 -0.235 0.000 1.019 171 N CA 1.217 54.086 53.050 -0.301 0.000 0.856 171 N CB -0.180 38.235 38.487 -0.120 0.000 0.993 171 N HN 0.290 nan 8.380 nan 0.000 0.426 172 D N 0.697 121.011 120.400 -0.144 0.000 2.178 172 D HA -0.093 4.547 4.640 -0.000 0.000 0.202 172 D C 1.938 178.191 176.300 -0.079 0.000 0.974 172 D CA 0.424 54.374 54.000 -0.083 0.000 0.841 172 D CB -0.124 40.657 40.800 -0.031 0.000 0.953 172 D HN 0.170 nan 8.370 nan 0.000 0.478 173 L N 0.695 121.847 121.223 -0.118 0.000 1.988 173 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 173 L C 2.186 178.942 176.870 -0.190 0.000 1.071 173 L CA 1.386 56.176 54.840 -0.083 0.000 0.744 173 L CB -0.746 41.282 42.059 -0.052 0.000 0.893 173 L HN -0.039 nan 8.230 nan 0.000 0.433 174 L N -0.043 120.963 121.223 -0.362 0.000 2.021 174 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 174 L C 2.744 179.490 176.870 -0.206 0.000 1.074 174 L CA 1.535 56.176 54.840 -0.331 0.000 0.760 174 L CB -1.330 40.440 42.059 -0.481 0.000 0.889 174 L HN 0.462 nan 8.230 nan 0.000 0.433 175 A N -0.420 122.293 122.820 -0.178 0.000 1.908 175 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 175 A C 2.376 179.906 177.584 -0.091 0.000 1.181 175 A CA 2.491 54.459 52.037 -0.115 0.000 0.627 175 A CB -0.926 18.021 19.000 -0.089 0.000 0.818 175 A HN 0.421 nan 8.150 nan 0.000 0.445 176 T N 0.528 115.037 114.554 -0.075 0.000 2.701 176 T HA -0.072 4.278 4.350 -0.000 0.000 0.263 176 T C 1.823 176.441 174.700 -0.137 0.000 1.040 176 T CA 1.423 63.489 62.100 -0.056 0.000 1.147 176 T CB -0.453 68.436 68.868 0.035 0.000 0.865 176 T HN 0.381 nan 8.240 nan 0.000 0.426 177 L N 0.579 121.706 121.223 -0.159 0.000 2.089 177 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 177 L C 2.506 179.270 176.870 -0.177 0.000 1.079 177 L CA 1.501 56.220 54.840 -0.201 0.000 0.758 177 L CB -0.572 41.380 42.059 -0.179 0.000 0.891 177 L HN 0.234 nan 8.230 nan 0.000 0.433 178 K N -0.549 119.768 120.400 -0.138 0.000 2.442 178 K HA -0.103 4.217 4.320 -0.000 0.000 0.198 178 K C 1.825 178.361 176.600 -0.107 0.000 1.042 178 K CA 1.516 57.737 56.287 -0.110 0.000 0.958 178 K CB -0.094 32.352 32.500 -0.090 0.000 0.766 178 K HN 0.492 nan 8.250 nan 0.000 0.474 179 T N -2.017 112.459 114.554 -0.130 0.000 3.086 179 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 179 T C 0.557 175.157 174.700 -0.168 0.000 1.074 179 T CA -0.295 61.737 62.100 -0.114 0.000 0.988 179 T CB 0.029 68.849 68.868 -0.080 0.000 0.988 179 T HN -0.091 nan 8.240 nan 0.000 0.530 180 L N 2.243 123.309 121.223 -0.261 0.000 2.350 180 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 180 L C 0.259 176.994 176.870 -0.225 0.000 1.099 180 L CA -1.051 53.558 54.840 -0.384 0.000 0.808 180 L CB 0.934 42.643 42.059 -0.583 0.000 1.149 180 L HN 0.135 nan 8.230 nan 0.000 0.442 181 Q N 1.517 121.212 119.800 -0.176 0.000 2.221 181 Q HA 0.457 4.797 4.340 -0.000 0.000 0.242 181 Q C -0.113 175.858 176.000 -0.050 0.000 0.940 181 Q CA -0.611 55.152 55.803 -0.066 0.000 0.896 181 Q CB 1.511 30.249 28.738 0.001 0.000 1.226 181 Q HN 0.695 nan 8.270 nan 0.000 0.463 182 A N 0.055 122.868 122.820 -0.013 0.000 2.511 182 A HA 0.438 4.758 4.320 -0.000 0.000 0.242 182 A C 1.138 178.740 177.584 0.031 0.000 1.069 182 A CA 0.922 52.959 52.037 -0.001 0.000 0.763 182 A CB -0.521 18.491 19.000 0.019 0.000 1.001 182 A HN 0.969 nan 8.150 nan 0.000 0.498 183 G N 1.509 110.305 108.800 -0.007 0.000 2.232 183 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 183 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 183 G C 0.532 175.416 174.900 -0.026 0.000 0.996 183 G CA 0.233 45.318 45.100 -0.024 0.000 0.626 183 G HN 1.244 nan 8.290 nan 0.000 0.509 184 S N 0.764 116.465 115.700 0.002 0.000 2.537 184 S HA 0.454 4.924 4.470 -0.000 0.000 0.286 184 S C 0.589 175.209 174.600 0.032 0.000 1.299 184 S CA 0.157 58.397 58.200 0.066 0.000 1.067 184 S CB 0.766 63.882 63.200 -0.139 0.000 0.864 184 S HN 0.398 nan 8.310 nan 0.000 0.494 185 I N 3.526 124.152 120.570 0.093 0.000 2.325 185 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 185 I C -0.549 175.616 176.117 0.080 0.000 1.019 185 I CA -0.489 60.820 61.300 0.015 0.000 1.302 185 I CB 1.022 38.961 38.000 -0.102 0.000 1.401 185 I HN 0.245 nan 8.210 nan 0.000 0.485 186 V N 7.647 127.600 119.914 0.065 0.000 2.313 186 V HA 0.236 4.356 4.120 -0.000 0.000 0.278 186 V C -0.149 175.998 176.094 0.088 0.000 1.017 186 V CA -0.645 61.717 62.300 0.103 0.000 0.823 186 V CB 1.414 33.242 31.823 0.009 0.000 1.010 186 V HN 0.427 nan 8.190 nan 0.000 0.443 187 L N 7.267 128.517 121.223 0.046 0.000 2.315 187 L HA 0.547 4.887 4.340 -0.000 0.000 0.283 187 L C -0.594 176.334 176.870 0.097 0.000 1.089 187 L CA 0.645 55.415 54.840 -0.117 0.000 0.833 187 L CB 0.394 42.113 42.059 -0.568 0.000 1.170 187 L HN 0.519 nan 8.230 nan 0.000 0.442 188 L N 4.960 126.249 121.223 0.110 0.000 2.354 188 L HA 0.498 4.838 4.340 -0.000 0.000 0.269 188 L C -0.492 176.511 176.870 0.221 0.000 1.005 188 L CA -0.649 54.354 54.840 0.271 0.000 0.819 188 L CB 1.827 44.107 42.059 0.368 0.000 1.311 188 L HN 0.500 nan 8.230 nan 0.000 0.423 189 H N 2.449 121.660 119.070 0.235 0.000 2.641 189 H HA 0.168 4.724 4.556 -0.000 0.000 0.295 189 H C -1.758 173.820 175.328 0.417 0.000 1.070 189 H CA -1.791 54.413 56.048 0.261 0.000 1.257 189 H CB 1.429 31.330 29.762 0.232 0.000 1.393 189 H HN 0.371 nan 8.280 nan 0.000 0.464 190 P HA -0.118 nan 4.420 nan 0.000 0.219 190 P C 0.354 177.925 177.300 0.451 0.000 1.146 190 P CA 0.893 64.136 63.100 0.240 0.000 0.808 190 P CB 0.261 31.941 31.700 -0.034 0.000 0.779 191 C N -5.593 113.963 119.300 0.427 0.000 3.312 191 C HA 0.536 4.996 4.460 -0.000 0.000 0.332 191 C C -0.217 175.006 174.990 0.389 0.000 1.340 191 C CA -1.005 58.257 59.018 0.405 0.000 1.265 191 C CB 0.573 28.483 27.740 0.283 0.000 1.563 191 C HN 0.285 nan 8.230 nan 0.000 0.471 192 C N 1.978 121.480 119.300 0.337 0.000 4.424 192 C HA -0.130 4.330 4.460 -0.000 0.000 0.304 192 C C 0.574 175.723 174.990 0.265 0.000 1.344 192 C CA 1.067 60.233 59.018 0.247 0.000 2.033 192 C CB -3.481 24.369 27.740 0.183 0.000 1.264 192 C HN 1.201 nan 8.230 nan 0.000 0.750 193 H N 1.546 120.736 119.070 0.200 0.000 3.038 193 H HA 0.114 4.670 4.556 -0.000 0.000 0.338 193 H C 0.445 175.775 175.328 0.004 0.000 1.041 193 H CA 1.411 57.462 56.048 0.005 0.000 1.394 193 H CB 0.538 30.319 29.762 0.031 0.000 1.357 193 H HN 0.674 nan 8.280 nan 0.000 0.600 194 N N 5.961 124.290 118.700 -0.618 0.000 2.442 194 N HA 0.170 4.910 4.740 -0.000 0.000 0.274 194 N C -2.324 172.748 175.510 -0.731 0.000 1.002 194 N CA -2.206 50.567 53.050 -0.462 0.000 0.910 194 N CB 1.935 40.291 38.487 -0.217 0.000 1.244 194 N HN 0.341 nan 8.380 nan 0.000 0.492 195 P HA 0.110 nan 4.420 nan 0.000 0.264 195 P C 0.803 177.954 177.300 -0.248 0.000 1.259 195 P CA 0.414 63.247 63.100 -0.446 0.000 0.841 195 P CB 0.363 31.899 31.700 -0.274 0.000 1.232 196 T N -4.632 109.832 114.554 -0.149 0.000 3.054 196 T HA 0.226 4.576 4.350 -0.000 0.000 0.259 196 T C 1.726 176.534 174.700 0.180 0.000 1.092 196 T CA 1.091 63.068 62.100 -0.205 0.000 1.121 196 T CB -1.182 67.426 68.868 -0.434 0.000 0.912 196 T HN 0.161 nan 8.240 nan 0.000 0.489 197 G N 1.505 110.485 108.800 0.301 0.000 2.189 197 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.267 197 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.267 197 G C 0.288 175.371 174.900 0.305 0.000 0.975 197 G CA 0.087 45.369 45.100 0.304 0.000 0.644 197 G HN 1.327 nan 8.290 nan 0.000 0.537 198 A N 0.342 123.363 122.820 0.336 0.000 2.347 198 A HA 0.602 4.922 4.320 -0.000 0.000 0.287 198 A C -0.082 177.670 177.584 0.281 0.000 1.199 198 A CA 0.050 52.236 52.037 0.248 0.000 0.851 198 A CB 0.422 19.540 19.000 0.196 0.000 1.118 198 A HN 0.224 nan 8.150 nan 0.000 0.525 199 D N 1.393 121.906 120.400 0.187 0.000 2.299 199 D HA 0.572 5.212 4.640 -0.000 0.000 0.243 199 D C 0.007 176.307 176.300 0.000 0.000 0.982 199 D CA -0.211 53.940 54.000 0.252 0.000 0.924 199 D CB 1.354 42.329 40.800 0.292 0.000 1.238 199 D HN 0.436 nan 8.370 nan 0.000 0.484 200 L N 0.438 121.645 121.223 -0.027 0.000 2.421 200 L HA 0.355 4.695 4.340 -0.000 0.000 0.263 200 L C 1.107 177.894 176.870 -0.139 0.000 1.122 200 L CA -0.591 54.059 54.840 -0.318 0.000 0.804 200 L CB 1.033 42.620 42.059 -0.788 0.000 1.150 200 L HN 0.462 nan 8.230 nan 0.000 0.457 201 T N -2.649 111.772 114.554 -0.223 0.000 2.882 201 T HA 0.115 4.465 4.350 -0.000 0.000 0.287 201 T C 0.938 175.644 174.700 0.009 0.000 1.014 201 T CA -0.518 61.515 62.100 -0.112 0.000 1.049 201 T CB 0.622 69.375 68.868 -0.192 0.000 1.001 201 T HN 0.602 nan 8.240 nan 0.000 0.525 202 N N 1.253 119.956 118.700 0.004 0.000 2.091 202 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 202 N C 1.144 176.719 175.510 0.108 0.000 1.021 202 N CA 2.001 55.004 53.050 -0.079 0.000 0.862 202 N CB -0.226 37.881 38.487 -0.634 0.000 1.018 202 N HN 0.718 nan 8.380 nan 0.000 0.429 203 D N 0.403 120.791 120.400 -0.020 0.000 2.149 203 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 203 D C 2.020 178.306 176.300 -0.024 0.000 0.972 203 D CA 0.816 54.815 54.000 -0.001 0.000 0.835 203 D CB 0.053 40.815 40.800 -0.065 0.000 0.966 203 D HN 0.283 nan 8.370 nan 0.000 0.476 204 Q N -0.691 118.981 119.800 -0.214 0.000 2.084 204 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 204 Q C 1.805 177.830 176.000 0.041 0.000 0.978 204 Q CA 1.122 56.691 55.803 -0.390 0.000 0.844 204 Q CB -0.160 28.032 28.738 -0.911 0.000 0.898 204 Q HN 0.467 nan 8.270 nan 0.000 0.426 205 W N 1.483 122.865 121.300 0.136 0.000 2.317 205 W HA -0.257 4.403 4.660 -0.000 0.000 0.318 205 W C 1.880 178.528 176.519 0.214 0.000 1.227 205 W CA 0.878 58.361 57.345 0.230 0.000 1.269 205 W CB -0.164 29.494 29.460 0.331 0.000 1.155 205 W HN 0.204 nan 8.180 nan 0.000 0.484 206 D N -0.102 120.590 120.400 0.486 0.000 2.116 206 D HA -0.243 4.397 4.640 -0.000 0.000 0.193 206 D C 2.147 178.598 176.300 0.252 0.000 0.998 206 D CA 2.082 56.278 54.000 0.326 0.000 0.836 206 D CB -1.108 39.849 40.800 0.261 0.000 0.951 206 D HN 0.157 nan 8.370 nan 0.000 0.449 207 A N 0.669 123.640 122.820 0.251 0.000 1.908 207 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 207 A C 2.610 180.308 177.584 0.191 0.000 1.181 207 A CA 1.554 53.731 52.037 0.232 0.000 0.627 207 A CB -0.836 18.390 19.000 0.377 0.000 0.818 207 A HN 0.165 nan 8.150 nan 0.000 0.445 208 V N 0.145 120.206 119.914 0.246 0.000 2.295 208 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 208 V C 2.421 178.624 176.094 0.182 0.000 1.049 208 V CA 2.103 64.513 62.300 0.183 0.000 1.024 208 V CB -0.674 31.287 31.823 0.230 0.000 0.648 208 V HN 0.589 nan 8.190 nan 0.000 0.447 209 I N -0.246 120.475 120.570 0.253 0.000 2.335 209 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 209 I C 2.548 178.725 176.117 0.101 0.000 1.129 209 I CA 1.733 63.138 61.300 0.176 0.000 1.402 209 I CB -0.322 37.783 38.000 0.175 0.000 1.069 209 I HN 0.410 nan 8.210 nan 0.000 0.424 210 E N 1.040 121.298 120.200 0.098 0.000 2.077 210 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 210 E C 2.270 178.889 176.600 0.032 0.000 0.989 210 E CA 1.256 57.693 56.400 0.061 0.000 0.800 210 E CB 0.044 29.782 29.700 0.064 0.000 0.746 210 E HN 0.459 nan 8.360 nan 0.000 0.452 211 I N 0.607 121.191 120.570 0.024 0.000 2.286 211 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 211 I C 2.212 178.318 176.117 -0.019 0.000 1.104 211 I CA 0.587 61.880 61.300 -0.012 0.000 1.397 211 I CB -0.110 37.865 38.000 -0.042 0.000 1.072 211 I HN 0.143 nan 8.210 nan 0.000 0.417 212 L N 0.705 121.927 121.223 -0.000 0.000 2.042 212 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 212 L C 2.634 179.498 176.870 -0.010 0.000 1.076 212 L CA 1.598 56.432 54.840 -0.009 0.000 0.749 212 L CB -0.615 41.458 42.059 0.023 0.000 0.893 212 L HN 0.255 nan 8.230 nan 0.000 0.432 213 K N 0.200 120.603 120.400 0.006 0.000 2.031 213 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 213 K C 2.129 178.728 176.600 -0.002 0.000 1.049 213 K CA 1.245 57.534 56.287 0.004 0.000 0.939 213 K CB -0.058 32.451 32.500 0.015 0.000 0.717 213 K HN 0.251 nan 8.250 nan 0.000 0.438 214 A N 1.124 123.942 122.820 -0.004 0.000 2.014 214 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 214 A C 1.785 179.360 177.584 -0.015 0.000 1.163 214 A CA 0.951 52.984 52.037 -0.007 0.000 0.652 214 A CB -0.199 18.797 19.000 -0.007 0.000 0.808 214 A HN 0.283 nan 8.150 nan 0.000 0.449 215 R N -0.609 119.875 120.500 -0.026 0.000 2.334 215 R HA 0.124 4.464 4.340 -0.000 0.000 0.216 215 R C -0.539 175.741 176.300 -0.033 0.000 0.905 215 R CA 0.391 56.469 56.100 -0.037 0.000 1.064 215 R CB 0.041 30.304 30.300 -0.062 0.000 1.046 215 R HN 0.609 nan 8.270 nan 0.000 0.508 216 E N 1.304 121.489 120.200 -0.025 0.000 2.320 216 E HA -0.204 4.146 4.350 -0.000 0.000 0.234 216 E C -0.632 175.943 176.600 -0.042 0.000 1.183 216 E CA 0.216 56.603 56.400 -0.022 0.000 0.713 216 E CB -1.509 28.189 29.700 -0.002 0.000 1.226 216 E HN 0.353 nan 8.360 nan 0.000 0.382 217 L N 0.601 121.791 121.223 -0.056 0.000 2.436 217 L HA 0.356 4.696 4.340 -0.000 0.000 0.265 217 L C 0.969 177.795 176.870 -0.073 0.000 1.168 217 L CA -0.322 54.473 54.840 -0.075 0.000 0.815 217 L CB 0.477 42.485 42.059 -0.085 0.000 1.109 217 L HN 0.160 nan 8.230 nan 0.000 0.462 218 I N 3.735 124.251 120.570 -0.090 0.000 2.287 218 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 218 I C -2.125 173.977 176.117 -0.025 0.000 1.069 218 I CA -1.838 59.405 61.300 -0.094 0.000 1.237 218 I CB 1.118 39.008 38.000 -0.183 0.000 1.418 218 I HN 0.243 nan 8.210 nan 0.000 0.481 219 P HA 0.110 nan 4.420 nan 0.000 0.276 219 P C -0.889 176.455 177.300 0.074 0.000 1.235 219 P CA 0.104 63.229 63.100 0.041 0.000 0.772 219 P CB 0.359 32.073 31.700 0.024 0.000 0.871 220 F N 4.073 124.004 119.950 -0.031 0.000 2.430 220 F HA 0.350 4.877 4.527 -0.000 0.000 0.362 220 F C -0.758 175.014 175.800 -0.046 0.000 1.103 220 F CA -1.254 56.731 58.000 -0.025 0.000 1.045 220 F CB 0.687 39.674 39.000 -0.022 0.000 1.276 220 F HN 0.039 nan 8.300 nan 0.000 0.444 221 L N 4.763 126.149 121.223 0.272 0.000 2.305 221 L HA 0.272 4.612 4.340 -0.000 0.000 0.281 221 L C -0.349 176.617 176.870 0.159 0.000 1.085 221 L CA -0.032 54.890 54.840 0.135 0.000 0.813 221 L CB 0.707 42.763 42.059 -0.006 0.000 1.157 221 L HN 0.443 nan 8.230 nan 0.000 0.436 222 D N 4.116 124.542 120.400 0.044 0.000 2.461 222 D HA 0.242 4.882 4.640 -0.000 0.000 0.240 222 D C -0.932 175.353 176.300 -0.025 0.000 1.094 222 D CA -0.259 53.742 54.000 0.001 0.000 0.868 222 D CB 0.898 41.657 40.800 -0.067 0.000 1.062 222 D HN 0.406 nan 8.370 nan 0.000 0.530 223 I N 3.123 123.662 120.570 -0.052 0.000 2.347 223 I HA 0.473 4.643 4.170 -0.000 0.000 0.283 223 I C 0.295 176.303 176.117 -0.181 0.000 1.058 223 I CA -0.342 60.919 61.300 -0.066 0.000 1.202 223 I CB 0.923 38.873 38.000 -0.084 0.000 1.386 223 I HN 0.469 nan 8.210 nan 0.000 0.475 224 A N 6.019 128.690 122.820 -0.249 0.000 2.390 224 A HA 0.256 4.576 4.320 -0.000 0.000 0.232 224 A C -0.018 177.026 177.584 -0.900 0.000 1.233 224 A CA 0.214 51.882 52.037 -0.616 0.000 0.907 224 A CB -0.034 18.474 19.000 -0.819 0.000 0.967 224 A HN 0.760 nan 8.150 nan 0.000 0.512 225 Y N -0.462 119.734 120.300 -0.172 0.000 2.720 225 Y HA 0.271 4.821 4.550 -0.000 0.000 0.264 225 Y C 0.344 176.106 175.900 -0.231 0.000 0.989 225 Y CA -0.822 57.103 58.100 -0.292 0.000 1.100 225 Y CB -0.141 38.275 38.460 -0.073 0.000 1.196 225 Y HN 0.364 nan 8.280 nan 0.000 0.631 226 Q N 1.068 120.800 119.800 -0.112 0.000 2.255 226 Q HA 0.354 4.694 4.340 -0.000 0.000 0.280 226 Q C 1.200 177.160 176.000 -0.067 0.000 1.068 226 Q CA 1.586 57.366 55.803 -0.039 0.000 0.911 226 Q CB 0.397 29.120 28.738 -0.024 0.000 1.157 226 Q HN 0.851 nan 8.270 nan 0.000 0.380 227 G N 3.647 112.451 108.800 0.007 0.000 2.194 227 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 227 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 227 G C 0.324 175.351 174.900 0.212 0.000 0.987 227 G CA 0.077 45.187 45.100 0.016 0.000 0.635 227 G HN 0.709 nan 8.290 nan 0.000 0.520 228 F N 1.179 121.131 119.950 0.004 0.000 2.727 228 F HA 0.322 4.849 4.527 -0.000 0.000 0.302 228 F C 2.181 177.985 175.800 0.005 0.000 1.097 228 F CA 0.216 58.210 58.000 -0.010 0.000 1.330 228 F CB 0.619 39.639 39.000 0.034 0.000 1.084 228 F HN 0.334 nan 8.300 nan 0.000 0.578 229 G N -0.097 108.825 108.800 0.204 0.000 2.534 229 G HA2 0.217 4.177 3.960 -0.000 0.000 0.224 229 G HA3 0.217 4.177 3.960 -0.000 0.000 0.224 229 G C 1.373 176.332 174.900 0.098 0.000 1.822 229 G CA 0.769 45.958 45.100 0.147 0.000 0.805 229 G HN 0.164 nan 8.290 nan 0.000 0.649 230 A N -1.143 121.732 122.820 0.090 0.000 2.063 230 A HA 0.628 4.948 4.320 -0.000 0.000 0.211 230 A C 1.096 178.703 177.584 0.038 0.000 1.177 230 A CA 1.488 53.560 52.037 0.058 0.000 0.759 230 A CB 0.019 19.053 19.000 0.056 0.000 0.857 230 A HN 1.879 nan 8.150 nan 0.000 0.468 234 E N 0.645 120.862 120.200 0.029 0.000 2.060 234 E HA -0.038 4.312 4.350 -0.000 0.000 0.189 234 E C 1.406 178.045 176.600 0.065 0.000 0.974 234 E CA 1.461 57.889 56.400 0.047 0.000 0.808 234 E CB -0.004 29.728 29.700 0.054 0.000 0.768 234 E HN 0.544 nan 8.360 nan 0.000 0.453 235 E N 1.492 121.732 120.200 0.067 0.000 2.085 235 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 235 E C 1.619 178.285 176.600 0.110 0.000 0.994 235 E CA 1.269 57.723 56.400 0.090 0.000 0.801 235 E CB -0.190 29.546 29.700 0.060 0.000 0.743 235 E HN 0.158 nan 8.360 nan 0.000 0.453 236 D N -0.279 120.172 120.400 0.084 0.000 2.263 236 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 236 D C 1.180 177.514 176.300 0.056 0.000 0.971 236 D CA 1.205 55.261 54.000 0.093 0.000 0.867 236 D CB -0.125 40.725 40.800 0.083 0.000 0.929 236 D HN 0.230 nan 8.370 nan 0.000 0.492 237 A N -0.647 122.185 122.820 0.019 0.000 2.307 237 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 237 A C 1.555 179.089 177.584 -0.084 0.000 1.228 237 A CA -0.294 51.700 52.037 -0.072 0.000 0.857 237 A CB -0.564 18.368 19.000 -0.113 0.000 0.897 237 A HN 0.199 nan 8.150 nan 0.000 0.495 238 Y N 0.979 121.217 120.300 -0.104 0.000 2.069 238 Y HA -0.336 4.214 4.550 -0.000 0.000 0.278 238 Y C 2.476 178.237 175.900 -0.232 0.000 1.175 238 Y CA 2.073 60.110 58.100 -0.105 0.000 1.134 238 Y CB -0.460 37.978 38.460 -0.037 0.000 0.965 238 Y HN 0.352 nan 8.280 nan 0.000 0.498 239 A N -0.193 122.333 122.820 -0.490 0.000 2.019 239 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 239 A C 2.270 179.514 177.584 -0.566 0.000 1.164 239 A CA 1.790 53.315 52.037 -0.854 0.000 0.644 239 A CB -1.057 16.890 19.000 -1.755 0.000 0.805 239 A HN 0.609 nan 8.150 nan 0.000 0.449 240 I N -0.103 120.204 120.570 -0.438 0.000 2.133 240 I HA -0.256 3.914 4.170 -0.000 0.000 0.238 240 I C 2.660 178.610 176.117 -0.278 0.000 1.074 240 I CA 1.373 62.458 61.300 -0.359 0.000 1.342 240 I CB -0.343 37.385 38.000 -0.454 0.000 1.053 240 I HN 0.320 nan 8.210 nan 0.000 0.404 241 R N 1.571 121.906 120.500 -0.276 0.000 2.105 241 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 241 R C 2.209 178.480 176.300 -0.048 0.000 1.135 241 R CA 1.624 57.660 56.100 -0.107 0.000 0.967 241 R CB -1.115 29.214 30.300 0.048 0.000 0.861 241 R HN 0.377 nan 8.270 nan 0.000 0.442 242 A N 1.758 124.384 122.820 -0.324 0.000 1.968 242 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 242 A C 2.315 179.823 177.584 -0.126 0.000 1.169 242 A CA 0.695 52.559 52.037 -0.288 0.000 0.638 242 A CB -0.359 18.286 19.000 -0.592 0.000 0.812 242 A HN 0.180 nan 8.150 nan 0.000 0.446 243 I N -0.251 120.233 120.570 -0.145 0.000 2.226 243 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 243 I C 2.980 179.084 176.117 -0.021 0.000 1.100 243 I CA 1.070 62.329 61.300 -0.068 0.000 1.374 243 I CB -0.325 37.623 38.000 -0.086 0.000 1.057 243 I HN 0.381 nan 8.210 nan 0.000 0.413 244 A N 0.282 123.099 122.820 -0.006 0.000 1.877 244 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 244 A C 2.458 180.084 177.584 0.071 0.000 1.186 244 A CA 2.185 54.215 52.037 -0.012 0.000 0.620 244 A CB -0.794 18.106 19.000 -0.166 0.000 0.822 244 A HN 0.406 nan 8.150 nan 0.000 0.443 245 S N 0.186 115.989 115.700 0.172 0.000 2.419 245 S HA -0.029 4.441 4.470 -0.000 0.000 0.233 245 S C 2.030 176.662 174.600 0.054 0.000 1.016 245 S CA 1.040 59.326 58.200 0.144 0.000 0.974 245 S CB -0.383 62.873 63.200 0.094 0.000 0.786 245 S HN 0.798 nan 8.310 nan 0.000 0.492 246 A N 0.635 123.473 122.820 0.031 0.000 2.168 246 A HA 0.433 4.753 4.320 -0.000 0.000 0.215 246 A C 1.728 179.319 177.584 0.012 0.000 1.152 246 A CA 0.832 52.880 52.037 0.020 0.000 0.716 246 A CB -0.921 18.090 19.000 0.018 0.000 0.794 246 A HN 0.982 nan 8.150 nan 0.000 0.465 247 G N -1.591 107.214 108.800 0.007 0.000 2.176 247 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.252 247 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.252 247 G C -0.070 174.824 174.900 -0.010 0.000 1.024 247 G CA 0.339 45.435 45.100 -0.006 0.000 0.755 247 G HN 1.106 nan 8.290 nan 0.000 0.507 248 L N 1.275 122.491 121.223 -0.011 0.000 2.262 248 L HA 0.697 5.037 4.340 -0.000 0.000 0.288 248 L C -1.965 174.891 176.870 -0.023 0.000 1.035 248 L CA -2.803 52.029 54.840 -0.012 0.000 0.820 248 L CB 0.782 42.838 42.059 -0.006 0.000 1.204 248 L HN -0.103 nan 8.230 nan 0.000 0.424 249 P HA 0.370 nan 4.420 nan 0.000 0.262 249 P C -1.100 176.172 177.300 -0.046 0.000 1.182 249 P CA 0.142 63.224 63.100 -0.031 0.000 0.761 249 P CB 0.753 32.446 31.700 -0.012 0.000 0.795 250 A N 2.703 125.487 122.820 -0.061 0.000 2.601 250 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 250 A C -1.946 175.549 177.584 -0.149 0.000 1.075 250 A CA -0.460 51.524 52.037 -0.088 0.000 0.671 250 A CB 0.709 19.676 19.000 -0.056 0.000 1.277 250 A HN 0.321 nan 8.150 nan 0.000 0.417 251 L N -0.207 120.850 121.223 -0.276 0.000 2.323 251 L HA 0.847 5.187 4.340 -0.000 0.000 0.265 251 L C -0.611 176.059 176.870 -0.334 0.000 1.012 251 L CA -0.787 53.768 54.840 -0.475 0.000 0.820 251 L CB 2.120 43.496 42.059 -1.138 0.000 1.334 251 L HN 0.491 nan 8.230 nan 0.000 0.427 252 V N 0.019 119.805 119.914 -0.212 0.000 2.612 252 V HA 0.568 4.688 4.120 -0.000 0.000 0.301 252 V C -0.628 175.492 176.094 0.042 0.000 1.059 252 V CA -0.690 61.585 62.300 -0.041 0.000 0.886 252 V CB 1.941 33.703 31.823 -0.101 0.000 1.007 252 V HN 0.815 nan 8.190 nan 0.000 0.426 253 S N 3.951 119.765 115.700 0.189 0.000 2.489 253 S HA 0.723 5.193 4.470 -0.000 0.000 0.291 253 S C -0.574 173.999 174.600 -0.044 0.000 1.151 253 S CA -0.775 57.493 58.200 0.114 0.000 1.082 253 S CB 1.591 64.921 63.200 0.217 0.000 1.019 253 S HN 0.901 nan 8.310 nan 0.000 0.492 254 N N 0.681 119.287 118.700 -0.156 0.000 2.229 254 N HA 0.473 5.213 4.740 -0.000 0.000 0.298 254 N C -1.549 173.703 175.510 -0.429 0.000 1.114 254 N CA -0.618 52.248 53.050 -0.307 0.000 0.776 254 N CB 2.148 40.408 38.487 -0.378 0.000 1.501 254 N HN 0.583 nan 8.380 nan 0.000 0.474 255 S N 0.746 116.152 115.700 -0.489 0.000 2.513 255 S HA 0.568 5.038 4.470 -0.000 0.000 0.299 255 S C -0.607 173.680 174.600 -0.522 0.000 1.087 255 S CA -0.759 57.171 58.200 -0.449 0.000 1.012 255 S CB 0.423 63.424 63.200 -0.331 0.000 1.044 255 S HN 0.490 nan 8.310 nan 0.000 0.485 256 F N 2.225 122.127 119.950 -0.081 0.000 2.664 256 F HA 0.215 4.742 4.527 -0.000 0.000 0.303 256 F C 2.252 178.002 175.800 -0.084 0.000 1.092 256 F CA -0.425 57.565 58.000 -0.018 0.000 1.305 256 F CB 0.405 39.339 39.000 -0.108 0.000 1.054 256 F HN 0.517 nan 8.300 nan 0.000 0.565 257 S N 0.704 116.350 115.700 -0.090 0.000 2.359 257 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 257 S C 1.933 176.099 174.600 -0.724 0.000 1.035 257 S CA 1.609 59.627 58.200 -0.303 0.000 1.018 257 S CB -0.066 63.010 63.200 -0.207 0.000 0.876 257 S HN 0.325 nan 8.310 nan 0.000 0.448 258 K N 1.033 121.141 120.400 -0.487 0.000 2.242 258 K HA 0.268 4.588 4.320 -0.000 0.000 0.200 258 K C 1.863 178.358 176.600 -0.175 0.000 1.050 258 K CA 0.534 56.602 56.287 -0.365 0.000 0.981 258 K CB -0.063 32.375 32.500 -0.104 0.000 0.795 258 K HN 0.504 nan 8.250 nan 0.000 0.477 259 I N -2.504 117.963 120.570 -0.173 0.000 3.728 259 I HA 0.145 4.315 4.170 -0.000 0.000 0.307 259 I C 0.380 176.587 176.117 0.150 0.000 1.276 259 I CA 0.863 62.114 61.300 -0.081 0.000 1.285 259 I CB 0.183 38.076 38.000 -0.179 0.000 1.038 259 I HN -0.080 nan 8.210 nan 0.000 0.445 260 F N 1.310 121.333 119.950 0.121 0.000 2.706 260 F HA 0.326 4.853 4.527 -0.000 0.000 0.313 260 F C 1.350 177.171 175.800 0.035 0.000 1.096 260 F CA -0.173 57.893 58.000 0.110 0.000 1.219 260 F CB 0.293 39.260 39.000 -0.055 0.000 1.051 260 F HN -0.019 nan 8.300 nan 0.000 0.568 261 S N 1.166 116.917 115.700 0.086 0.000 3.549 261 S HA -0.219 4.251 4.470 -0.000 0.000 0.366 261 S C 0.664 175.316 174.600 0.087 0.000 1.012 261 S CA 0.361 58.589 58.200 0.046 0.000 1.141 261 S CB -1.604 61.753 63.200 0.261 0.000 0.910 261 S HN 0.365 nan 8.310 nan 0.000 0.471 262 L N 0.105 121.309 121.223 -0.033 0.000 2.984 262 L HA 0.230 4.570 4.340 -0.000 0.000 0.246 262 L C 1.323 178.236 176.870 0.071 0.000 1.268 262 L CA -0.334 54.547 54.840 0.068 0.000 1.054 262 L CB -0.127 41.955 42.059 0.039 0.000 1.393 262 L HN 0.412 nan 8.230 nan 0.000 0.532 263 Y N 0.582 120.950 120.300 0.114 0.000 2.062 263 Y HA -0.330 4.220 4.550 -0.000 0.000 0.273 263 Y C 2.383 178.330 175.900 0.078 0.000 1.206 263 Y CA 1.834 59.987 58.100 0.087 0.000 1.125 263 Y CB -0.656 37.852 38.460 0.080 0.000 0.951 263 Y HN 0.322 nan 8.280 nan 0.000 0.501 264 G N -1.178 107.780 108.800 0.263 0.000 2.985 264 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.209 264 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.209 264 G C 1.195 176.176 174.900 0.136 0.000 1.165 264 G CA 0.173 45.377 45.100 0.174 0.000 0.776 264 G HN 0.225 nan 8.290 nan 0.000 0.541 265 E N 0.627 120.911 120.200 0.140 0.000 2.476 265 E HA 0.069 4.419 4.350 -0.000 0.000 0.199 265 E C 0.375 177.010 176.600 0.057 0.000 1.021 265 E CA -0.209 56.267 56.400 0.128 0.000 0.907 265 E CB 0.304 30.117 29.700 0.187 0.000 0.974 265 E HN 0.162 nan 8.360 nan 0.000 0.489 266 R N -0.062 120.466 120.500 0.048 0.000 3.084 266 R HA -0.105 4.235 4.340 -0.000 0.000 0.258 266 R C -0.276 176.014 176.300 -0.016 0.000 0.914 266 R CA 0.450 56.557 56.100 0.011 0.000 0.646 266 R CB -3.239 27.052 30.300 -0.017 0.000 1.330 266 R HN 0.043 nan 8.270 nan 0.000 0.465 267 V N -1.635 118.288 119.914 0.016 0.000 2.378 267 V HA 0.998 5.118 4.120 -0.000 0.000 0.288 267 V C 0.851 177.033 176.094 0.147 0.000 1.016 267 V CA -0.006 62.332 62.300 0.063 0.000 0.840 267 V CB 2.236 34.103 31.823 0.073 0.000 0.994 267 V HN 0.611 nan 8.190 nan 0.000 0.431 268 G N 2.246 111.124 108.800 0.130 0.000 2.782 268 G HA2 0.901 4.861 3.960 -0.000 0.000 0.304 268 G HA3 0.901 4.861 3.960 -0.000 0.000 0.304 268 G C -0.567 174.393 174.900 0.099 0.000 1.315 268 G CA -0.333 44.753 45.100 -0.023 0.000 0.791 268 G HN 1.307 nan 8.290 nan 0.000 0.519 269 G N -1.491 107.289 108.800 -0.033 0.000 2.704 269 G HA2 0.649 4.609 3.960 -0.000 0.000 0.293 269 G HA3 0.649 4.609 3.960 -0.000 0.000 0.293 269 G C -2.204 172.706 174.900 0.017 0.000 1.421 269 G CA -0.566 44.563 45.100 0.049 0.000 0.870 269 G HN 1.133 nan 8.290 nan 0.000 0.492 270 L N 0.885 122.133 121.223 0.042 0.000 2.349 270 L HA 0.808 5.148 4.340 -0.000 0.000 0.278 270 L C -0.405 176.454 176.870 -0.018 0.000 0.996 270 L CA -0.548 54.305 54.840 0.021 0.000 0.825 270 L CB 1.934 44.017 42.059 0.039 0.000 1.243 270 L HN 0.408 nan 8.230 nan 0.000 0.412 271 S N 3.855 119.533 115.700 -0.037 0.000 2.473 271 S HA 0.773 5.243 4.470 -0.000 0.000 0.307 271 S C -0.869 173.687 174.600 -0.074 0.000 1.094 271 S CA -0.632 57.556 58.200 -0.020 0.000 1.070 271 S CB 1.893 65.149 63.200 0.093 0.000 1.019 271 S HN 0.388 nan 8.310 nan 0.000 0.480 272 V N 4.213 124.064 119.914 -0.105 0.000 2.350 272 V HA 0.346 4.466 4.120 -0.000 0.000 0.285 272 V C -0.267 175.760 176.094 -0.111 0.000 1.014 272 V CA -0.537 61.680 62.300 -0.139 0.000 0.831 272 V CB 1.088 32.785 31.823 -0.210 0.000 1.000 272 V HN 0.888 nan 8.190 nan 0.000 0.433 273 M N 4.632 124.180 119.600 -0.086 0.000 2.156 273 M HA 0.342 4.822 4.480 -0.000 0.000 0.345 273 M C -0.398 175.850 176.300 -0.087 0.000 1.398 273 M CA 0.197 55.431 55.300 -0.110 0.000 1.148 273 M CB 0.315 32.868 32.600 -0.078 0.000 1.663 273 M HN 0.579 nan 8.290 nan 0.000 0.464 274 C N 2.163 121.405 119.300 -0.096 0.000 2.423 274 C HA 0.299 4.759 4.460 -0.000 0.000 0.378 274 C C 1.733 176.690 174.990 -0.056 0.000 1.244 274 C CA -0.649 58.333 59.018 -0.060 0.000 1.978 274 C CB 1.363 29.065 27.740 -0.063 0.000 2.252 274 C HN 0.827 nan 8.230 nan 0.000 0.526 275 E N 0.856 121.037 120.200 -0.032 0.000 2.150 275 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 275 E C -0.131 176.448 176.600 -0.035 0.000 0.985 275 E CA 1.344 57.728 56.400 -0.026 0.000 0.814 275 E CB -0.108 29.587 29.700 -0.009 0.000 0.752 275 E HN 0.869 nan 8.360 nan 0.000 0.466 276 D N -3.596 116.778 120.400 -0.043 0.000 2.738 276 D HA 0.412 5.052 4.640 -0.000 0.000 0.308 276 D C 0.123 176.391 176.300 -0.053 0.000 1.311 276 D CA -0.191 53.782 54.000 -0.045 0.000 0.799 276 D CB 0.193 40.975 40.800 -0.031 0.000 1.332 276 D HN -0.109 nan 8.370 nan 0.000 0.441 277 A N -0.370 122.420 122.820 -0.051 0.000 1.933 277 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 277 A C 1.816 179.372 177.584 -0.046 0.000 1.175 277 A CA 1.731 53.735 52.037 -0.054 0.000 0.628 277 A CB -0.771 18.201 19.000 -0.047 0.000 0.814 277 A HN 0.615 nan 8.150 nan 0.000 0.444 278 E N 0.116 120.295 120.200 -0.036 0.000 2.072 278 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 278 E C 2.229 178.810 176.600 -0.032 0.000 0.985 278 E CA 1.124 57.506 56.400 -0.030 0.000 0.801 278 E CB -0.234 29.452 29.700 -0.022 0.000 0.750 278 E HN 0.496 nan 8.360 nan 0.000 0.452 279 A N 1.278 124.078 122.820 -0.034 0.000 1.898 279 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 279 A C 2.438 179.994 177.584 -0.047 0.000 1.181 279 A CA 1.861 53.878 52.037 -0.033 0.000 0.620 279 A CB -0.668 18.317 19.000 -0.025 0.000 0.819 279 A HN 0.331 nan 8.150 nan 0.000 0.442 280 A N -0.359 122.425 122.820 -0.060 0.000 1.948 280 A HA 0.015 4.335 4.320 -0.000 0.000 0.220 280 A C 2.376 179.916 177.584 -0.072 0.000 1.177 280 A CA 2.123 54.112 52.037 -0.079 0.000 0.636 280 A CB -1.374 17.569 19.000 -0.095 0.000 0.815 280 A HN 0.743 nan 8.150 nan 0.000 0.449 281 G N -0.832 107.935 108.800 -0.054 0.000 2.402 281 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 281 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 281 G C 1.775 176.651 174.900 -0.040 0.000 1.162 281 G CA 0.887 45.961 45.100 -0.043 0.000 0.777 281 G HN 0.574 nan 8.290 nan 0.000 0.539 282 R N -0.268 120.209 120.500 -0.038 0.000 2.070 282 R HA -0.011 4.329 4.340 -0.000 0.000 0.233 282 R C 2.718 178.994 176.300 -0.039 0.000 1.137 282 R CA 1.235 57.316 56.100 -0.033 0.000 0.945 282 R CB -0.726 29.552 30.300 -0.036 0.000 0.845 282 R HN 0.250 nan 8.270 nan 0.000 0.430 283 V N 1.608 121.487 119.914 -0.058 0.000 2.282 283 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 283 V C 2.259 178.252 176.094 -0.169 0.000 1.057 283 V CA 1.821 64.057 62.300 -0.106 0.000 1.032 283 V CB -0.571 31.176 31.823 -0.128 0.000 0.645 283 V HN 0.270 nan 8.190 nan 0.000 0.447 284 L N 1.360 122.505 121.223 -0.130 0.000 2.043 284 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 284 L C 2.320 179.147 176.870 -0.072 0.000 1.075 284 L CA 2.535 57.308 54.840 -0.111 0.000 0.752 284 L CB -1.363 40.652 42.059 -0.074 0.000 0.891 284 L HN 0.289 nan 8.230 nan 0.000 0.432 285 G N -1.579 107.196 108.800 -0.041 0.000 2.418 285 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 285 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 285 G C 1.388 176.298 174.900 0.015 0.000 1.158 285 G CA 0.549 45.642 45.100 -0.011 0.000 0.771 285 G HN 0.472 nan 8.290 nan 0.000 0.545 286 Q N -0.013 119.813 119.800 0.043 0.000 2.224 286 Q HA 0.095 4.435 4.340 -0.000 0.000 0.203 286 Q C 2.681 178.755 176.000 0.123 0.000 0.970 286 Q CA 0.532 56.432 55.803 0.161 0.000 0.865 286 Q CB -0.173 28.773 28.738 0.347 0.000 0.922 286 Q HN 0.516 nan 8.270 nan 0.000 0.445 287 L N -0.020 121.170 121.223 -0.055 0.000 2.131 287 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 287 L C 2.263 179.114 176.870 -0.031 0.000 1.087 287 L CA 0.907 55.693 54.840 -0.090 0.000 0.767 287 L CB -0.242 41.702 42.059 -0.192 0.000 0.917 287 L HN 0.097 nan 8.230 nan 0.000 0.441 288 K N 0.505 120.885 120.400 -0.034 0.000 2.026 288 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 288 K C 2.245 178.820 176.600 -0.042 0.000 1.048 288 K CA 1.446 57.708 56.287 -0.043 0.000 0.929 288 K CB -0.327 32.152 32.500 -0.036 0.000 0.713 288 K HN 0.244 nan 8.250 nan 0.000 0.439 289 A N 0.582 123.402 122.820 -0.001 0.000 1.978 289 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 289 A C 2.127 179.715 177.584 0.008 0.000 1.170 289 A CA 2.035 54.077 52.037 0.008 0.000 0.636 289 A CB -0.855 18.175 19.000 0.050 0.000 0.810 289 A HN 0.273 nan 8.150 nan 0.000 0.448 290 T N -0.679 113.900 114.554 0.041 0.000 2.857 290 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 290 T C 1.849 176.521 174.700 -0.046 0.000 1.048 290 T CA 1.385 63.514 62.100 0.049 0.000 1.139 290 T CB -0.255 68.699 68.868 0.144 0.000 0.874 290 T HN 0.166 nan 8.240 nan 0.000 0.455 291 V N 1.372 121.215 119.914 -0.119 0.000 2.407 291 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 291 V C 2.555 178.425 176.094 -0.373 0.000 1.055 291 V CA 1.513 63.608 62.300 -0.342 0.000 1.049 291 V CB -0.556 31.054 31.823 -0.354 0.000 0.662 291 V HN 0.332 nan 8.190 nan 0.000 0.455 292 R N 0.017 120.390 120.500 -0.211 0.000 2.152 292 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 292 R C 2.231 178.452 176.300 -0.133 0.000 1.117 292 R CA 1.213 57.211 56.100 -0.171 0.000 0.981 292 R CB -0.076 30.159 30.300 -0.109 0.000 0.870 292 R HN 0.440 nan 8.270 nan 0.000 0.451 293 R N -0.534 119.904 120.500 -0.103 0.000 2.313 293 R HA 0.036 4.376 4.340 -0.000 0.000 0.199 293 R C 0.980 177.251 176.300 -0.050 0.000 0.958 293 R CA 0.214 56.278 56.100 -0.061 0.000 1.047 293 R CB 0.086 30.366 30.300 -0.035 0.000 0.955 293 R HN 0.209 nan 8.270 nan 0.000 0.481 294 N N -0.168 118.479 118.700 -0.088 0.000 3.420 294 N HA -0.049 4.691 4.740 -0.000 0.000 0.211 294 N C 0.530 176.067 175.510 0.045 0.000 1.201 294 N CA 0.520 53.569 53.050 -0.002 0.000 1.134 294 N CB 0.135 38.653 38.487 0.052 0.000 1.366 294 N HN 0.103 nan 8.380 nan 0.000 0.606 295 Y N -1.046 119.251 120.300 -0.004 0.000 2.588 295 Y HA 0.623 5.173 4.550 -0.000 0.000 0.247 295 Y C 0.927 176.818 175.900 -0.015 0.000 1.157 295 Y CA 0.158 58.257 58.100 -0.003 0.000 1.215 295 Y CB 0.287 38.750 38.460 0.006 0.000 1.245 295 Y HN 0.072 nan 8.280 nan 0.000 0.534 296 S N 0.168 115.672 115.700 -0.326 0.000 1.539 296 S HA -0.252 4.218 4.470 -0.000 0.000 0.239 296 S C 0.365 174.827 174.600 -0.229 0.000 0.755 296 S CA 1.590 59.647 58.200 -0.238 0.000 1.322 296 S CB -1.746 61.366 63.200 -0.147 0.000 1.628 296 S HN 1.133 nan 8.310 nan 0.000 0.515 297 S N 1.125 116.795 115.700 -0.051 0.000 2.552 297 S HA 0.694 5.164 4.470 -0.000 0.000 0.272 297 S C -3.554 171.242 174.600 0.327 0.000 1.150 297 S CA -1.088 57.157 58.200 0.075 0.000 0.849 297 S CB 2.468 65.684 63.200 0.026 0.000 1.113 297 S HN 0.276 nan 8.310 nan 0.000 0.458 298 P HA 0.545 nan 4.420 nan 0.000 0.278 298 P C -2.758 174.587 177.300 0.074 0.000 1.258 298 P CA -1.697 61.510 63.100 0.177 0.000 0.811 298 P CB -0.511 31.251 31.700 0.104 0.000 1.063 299 P HA 0.090 nan 4.420 nan 0.000 0.272 299 P C 0.312 177.603 177.300 -0.015 0.000 1.223 299 P CA 0.031 63.140 63.100 0.015 0.000 0.784 299 P CB 0.751 32.456 31.700 0.008 0.000 0.923 300 N N 1.588 120.297 118.700 0.016 0.000 2.197 300 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 300 N C 1.603 177.123 175.510 0.016 0.000 1.030 300 N CA 0.552 53.602 53.050 0.000 0.000 0.851 300 N CB -0.692 37.807 38.487 0.019 0.000 1.003 300 N HN 0.361 nan 8.380 nan 0.000 0.430 301 F N 0.724 120.631 119.950 -0.072 0.000 2.032 301 F HA -0.227 4.300 4.527 -0.000 0.000 0.297 301 F C 2.140 177.893 175.800 -0.079 0.000 1.125 301 F CA 2.197 60.162 58.000 -0.059 0.000 1.202 301 F CB -0.750 38.227 39.000 -0.039 0.000 0.958 301 F HN 0.163 nan 8.300 nan 0.000 0.491 302 G N -1.188 107.502 108.800 -0.184 0.000 2.422 302 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 302 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 302 G C 1.584 176.265 174.900 -0.364 0.000 1.140 302 G CA 0.651 45.556 45.100 -0.324 0.000 0.775 302 G HN 0.641 nan 8.290 nan 0.000 0.545 303 A N -0.093 122.519 122.820 -0.348 0.000 1.975 303 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 303 A C 2.236 179.673 177.584 -0.244 0.000 1.170 303 A CA 1.797 53.577 52.037 -0.428 0.000 0.656 303 A CB -0.289 18.208 19.000 -0.838 0.000 0.821 303 A HN 0.338 nan 8.150 nan 0.000 0.449 304 Q N -0.171 119.487 119.800 -0.237 0.000 2.197 304 Q HA -0.128 4.212 4.340 -0.000 0.000 0.207 304 Q C 1.872 177.729 176.000 -0.239 0.000 0.984 304 Q CA 2.017 57.712 55.803 -0.181 0.000 0.869 304 Q CB -0.426 28.236 28.738 -0.127 0.000 0.906 304 Q HN 0.405 nan 8.270 nan 0.000 0.426 305 V N -1.357 118.332 119.914 -0.374 0.000 2.346 305 V HA -0.161 3.959 4.120 -0.000 0.000 0.244 305 V C 2.044 177.911 176.094 -0.378 0.000 1.037 305 V CA 1.311 63.387 62.300 -0.373 0.000 1.029 305 V CB -0.297 31.233 31.823 -0.488 0.000 0.663 305 V HN 0.184 nan 8.190 nan 0.000 0.454 306 V N 0.427 120.032 119.914 -0.515 0.000 2.427 306 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 306 V C 2.644 178.401 176.094 -0.560 0.000 1.051 306 V CA 1.890 63.670 62.300 -0.866 0.000 1.048 306 V CB -0.945 30.166 31.823 -1.187 0.000 0.666 306 V HN 0.545 nan 8.190 nan 0.000 0.456 307 A N -0.087 122.561 122.820 -0.287 0.000 1.929 307 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 307 A C 2.417 179.905 177.584 -0.160 0.000 1.176 307 A CA 1.718 53.646 52.037 -0.183 0.000 0.628 307 A CB -0.629 18.343 19.000 -0.047 0.000 0.816 307 A HN 0.532 nan 8.150 nan 0.000 0.444 308 A N -0.417 122.312 122.820 -0.153 0.000 1.902 308 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 308 A C 2.223 179.745 177.584 -0.103 0.000 1.181 308 A CA 1.783 53.755 52.037 -0.107 0.000 0.623 308 A CB -0.914 18.031 19.000 -0.092 0.000 0.818 308 A HN 0.356 nan 8.150 nan 0.000 0.443 309 V N 0.171 120.002 119.914 -0.137 0.000 2.261 309 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 309 V C 2.518 178.548 176.094 -0.106 0.000 1.047 309 V CA 2.038 64.282 62.300 -0.094 0.000 1.015 309 V CB -0.767 31.020 31.823 -0.061 0.000 0.642 309 V HN 0.576 nan 8.190 nan 0.000 0.446 310 L N 0.311 121.420 121.223 -0.190 0.000 2.291 310 L HA -0.059 4.281 4.340 -0.000 0.000 0.214 310 L C 1.839 178.662 176.870 -0.080 0.000 1.120 310 L CA 1.000 55.745 54.840 -0.159 0.000 0.799 310 L CB -0.522 41.385 42.059 -0.254 0.000 0.925 310 L HN 0.412 nan 8.230 nan 0.000 0.446 311 N N -0.880 117.774 118.700 -0.076 0.000 2.280 311 N HA -0.013 4.727 4.740 -0.000 0.000 0.192 311 N C 0.012 175.509 175.510 -0.022 0.000 1.109 311 N CA 0.358 53.383 53.050 -0.041 0.000 0.855 311 N CB 0.357 38.818 38.487 -0.045 0.000 0.974 311 N HN 0.272 nan 8.380 nan 0.000 0.482 312 D N 0.672 121.061 120.400 -0.018 0.000 2.381 312 D HA 0.070 4.710 4.640 -0.000 0.000 0.235 312 D C 0.631 176.940 176.300 0.014 0.000 1.068 312 D CA -0.252 53.746 54.000 -0.003 0.000 0.832 312 D CB 2.046 42.843 40.800 -0.006 0.000 1.101 312 D HN -0.175 nan 8.370 nan 0.000 0.515 313 E N 3.012 123.222 120.200 0.018 0.000 2.097 313 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 313 E C 1.690 178.312 176.600 0.037 0.000 1.000 313 E CA 1.953 58.370 56.400 0.028 0.000 0.804 313 E CB 0.088 29.801 29.700 0.022 0.000 0.740 313 E HN 0.591 nan 8.360 nan 0.000 0.454 314 A N -0.334 122.505 122.820 0.032 0.000 1.935 314 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 314 A C 2.196 179.810 177.584 0.050 0.000 1.178 314 A CA 0.763 52.821 52.037 0.036 0.000 0.640 314 A CB -0.414 18.601 19.000 0.026 0.000 0.825 314 A HN 0.275 nan 8.150 nan 0.000 0.447 315 L N -0.518 120.735 121.223 0.050 0.000 2.056 315 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 315 L C 2.607 179.551 176.870 0.122 0.000 1.078 315 L CA 1.759 56.640 54.840 0.069 0.000 0.749 315 L CB -0.398 41.686 42.059 0.042 0.000 0.901 315 L HN 0.440 nan 8.230 nan 0.000 0.433 316 K N 0.451 120.917 120.400 0.110 0.000 2.032 316 K HA -0.216 4.104 4.320 -0.000 0.000 0.209 316 K C 2.131 178.862 176.600 0.218 0.000 1.048 316 K CA 1.513 57.914 56.287 0.190 0.000 0.927 316 K CB -0.088 32.492 32.500 0.133 0.000 0.712 316 K HN 0.273 nan 8.250 nan 0.000 0.441 317 A N 0.461 123.353 122.820 0.119 0.000 1.902 317 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 317 A C 2.161 179.777 177.584 0.054 0.000 1.181 317 A CA 2.138 54.219 52.037 0.073 0.000 0.623 317 A CB -0.832 18.194 19.000 0.044 0.000 0.818 317 A HN 0.487 nan 8.150 nan 0.000 0.443 318 S N -1.547 114.198 115.700 0.074 0.000 2.343 318 S HA -0.239 4.231 4.470 -0.000 0.000 0.219 318 S C 1.729 176.360 174.600 0.053 0.000 1.033 318 S CA 1.813 60.045 58.200 0.054 0.000 1.014 318 S CB -0.676 62.564 63.200 0.066 0.000 0.915 318 S HN 0.749 nan 8.310 nan 0.000 0.435 319 W N 1.965 123.216 121.300 -0.082 0.000 2.302 319 W HA -0.205 4.455 4.660 -0.000 0.000 0.320 319 W C 1.908 178.334 176.519 -0.156 0.000 1.241 319 W CA 2.092 59.344 57.345 -0.156 0.000 1.264 319 W CB -0.885 28.447 29.460 -0.214 0.000 1.154 319 W HN 0.373 nan 8.180 nan 0.000 0.483 320 L N 0.603 121.626 121.223 -0.333 0.000 2.079 320 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 320 L C 2.752 179.388 176.870 -0.390 0.000 1.081 320 L CA 2.020 56.529 54.840 -0.550 0.000 0.752 320 L CB -1.007 40.924 42.059 -0.214 0.000 0.896 320 L HN 0.028 nan 8.230 nan 0.000 0.433 321 K N 0.291 120.559 120.400 -0.219 0.000 2.002 321 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 321 K C 2.072 178.562 176.600 -0.184 0.000 1.048 321 K CA 1.798 57.992 56.287 -0.154 0.000 0.930 321 K CB -0.042 32.408 32.500 -0.082 0.000 0.714 321 K HN 0.252 nan 8.250 nan 0.000 0.438 322 E N -0.087 119.991 120.200 -0.204 0.000 2.085 322 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 322 E C 1.864 178.307 176.600 -0.261 0.000 0.994 322 E CA 1.451 57.737 56.400 -0.191 0.000 0.801 322 E CB 0.129 29.744 29.700 -0.142 0.000 0.743 322 E HN 0.122 nan 8.360 nan 0.000 0.453 323 V N 1.286 120.944 119.914 -0.426 0.000 2.343 323 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 323 V C 2.349 178.312 176.094 -0.218 0.000 1.051 323 V CA 1.721 63.807 62.300 -0.358 0.000 1.036 323 V CB -0.501 30.953 31.823 -0.616 0.000 0.654 323 V HN 0.253 nan 8.190 nan 0.000 0.451 324 E N 0.289 120.356 120.200 -0.223 0.000 2.058 324 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 324 E C 2.259 178.780 176.600 -0.131 0.000 0.997 324 E CA 1.582 57.895 56.400 -0.145 0.000 0.801 324 E CB -0.211 29.415 29.700 -0.124 0.000 0.746 324 E HN 0.702 nan 8.360 nan 0.000 0.450 325 E N -0.249 119.871 120.200 -0.134 0.000 2.058 325 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 325 E C 2.237 178.763 176.600 -0.124 0.000 0.997 325 E CA 1.597 57.936 56.400 -0.100 0.000 0.801 325 E CB -0.140 29.515 29.700 -0.074 0.000 0.746 325 E HN 0.263 nan 8.360 nan 0.000 0.450 326 M N -0.053 119.406 119.600 -0.235 0.000 2.067 326 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 326 M C 2.501 178.541 176.300 -0.433 0.000 1.069 326 M CA 1.445 56.465 55.300 -0.467 0.000 1.117 326 M CB -0.356 31.657 32.600 -0.979 0.000 1.334 326 M HN -0.014 nan 8.290 nan 0.000 0.407 327 R N 0.565 120.841 120.500 -0.374 0.000 2.103 327 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 327 R C 2.232 178.452 176.300 -0.133 0.000 1.142 327 R CA 2.333 58.287 56.100 -0.243 0.000 0.960 327 R CB -0.486 29.768 30.300 -0.076 0.000 0.858 327 R HN 0.575 nan 8.270 nan 0.000 0.439 328 T N -1.992 112.503 114.554 -0.099 0.000 2.951 328 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 328 T C 1.985 176.658 174.700 -0.044 0.000 1.073 328 T CA 0.847 62.912 62.100 -0.058 0.000 1.134 328 T CB -0.262 68.577 68.868 -0.048 0.000 0.884 328 T HN 0.281 nan 8.240 nan 0.000 0.479 329 R N 0.658 121.137 120.500 -0.036 0.000 2.075 329 R HA 0.080 4.420 4.340 -0.000 0.000 0.232 329 R C 2.411 178.705 176.300 -0.010 0.000 1.126 329 R CA 1.302 57.402 56.100 0.000 0.000 0.963 329 R CB -0.490 29.849 30.300 0.066 0.000 0.858 329 R HN 0.459 nan 8.270 nan 0.000 0.435 330 I N 0.971 121.530 120.570 -0.020 0.000 2.264 330 I HA -0.326 3.844 4.170 -0.000 0.000 0.248 330 I C 2.165 178.258 176.117 -0.040 0.000 1.111 330 I CA 1.208 62.483 61.300 -0.041 0.000 1.382 330 I CB -0.135 37.809 38.000 -0.093 0.000 1.060 330 I HN 0.228 nan 8.210 nan 0.000 0.418 331 L N 0.070 121.269 121.223 -0.039 0.000 2.056 331 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 331 L C 2.847 179.701 176.870 -0.028 0.000 1.078 331 L CA 1.211 56.035 54.840 -0.027 0.000 0.749 331 L CB -0.677 41.368 42.059 -0.023 0.000 0.901 331 L HN 0.237 nan 8.230 nan 0.000 0.433 332 A N -0.291 122.511 122.820 -0.030 0.000 1.917 332 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 332 A C 2.276 179.835 177.584 -0.041 0.000 1.182 332 A CA 1.860 53.877 52.037 -0.032 0.000 0.633 332 A CB -0.388 18.595 19.000 -0.029 0.000 0.819 332 A HN 0.299 nan 8.150 nan 0.000 0.448 333 M N -0.428 119.145 119.600 -0.045 0.000 2.156 333 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 333 M C 2.161 178.424 176.300 -0.062 0.000 1.067 333 M CA 1.385 56.650 55.300 -0.059 0.000 1.131 333 M CB -1.244 31.317 32.600 -0.064 0.000 1.368 333 M HN 0.485 nan 8.290 nan 0.000 0.416 334 R N -0.190 120.283 120.500 -0.045 0.000 2.081 334 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 334 R C 2.201 178.472 176.300 -0.049 0.000 1.131 334 R CA 1.008 57.084 56.100 -0.041 0.000 0.960 334 R CB -0.580 29.711 30.300 -0.015 0.000 0.856 334 R HN 0.490 nan 8.270 nan 0.000 0.436 335 Q N 0.872 120.648 119.800 -0.040 0.000 2.002 335 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 335 Q C 2.121 178.089 176.000 -0.053 0.000 0.988 335 Q CA 1.363 57.143 55.803 -0.038 0.000 0.843 335 Q CB -0.130 28.590 28.738 -0.029 0.000 0.908 335 Q HN 0.394 nan 8.270 nan 0.000 0.420 336 E N 0.645 120.808 120.200 -0.062 0.000 2.077 336 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 336 E C 2.158 178.694 176.600 -0.108 0.000 0.989 336 E CA 0.528 56.883 56.400 -0.076 0.000 0.800 336 E CB -0.253 29.403 29.700 -0.073 0.000 0.746 336 E HN 0.168 nan 8.360 nan 0.000 0.452 337 L N 0.724 121.872 121.223 -0.125 0.000 2.012 337 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 337 L C 2.338 179.086 176.870 -0.203 0.000 1.073 337 L CA 1.418 56.149 54.840 -0.181 0.000 0.748 337 L CB -0.531 41.416 42.059 -0.186 0.000 0.891 337 L HN -0.098 nan 8.230 nan 0.000 0.431 338 V N 0.078 119.900 119.914 -0.153 0.000 2.343 338 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 338 V C 2.655 178.683 176.094 -0.110 0.000 1.051 338 V CA 2.086 64.301 62.300 -0.141 0.000 1.036 338 V CB -0.732 31.056 31.823 -0.057 0.000 0.654 338 V HN 0.609 nan 8.190 nan 0.000 0.451 339 K N -0.082 120.270 120.400 -0.080 0.000 2.152 339 K HA -0.175 4.145 4.320 -0.000 0.000 0.206 339 K C 1.901 178.453 176.600 -0.079 0.000 1.048 339 K CA 1.797 58.049 56.287 -0.059 0.000 0.933 339 K CB -0.112 32.359 32.500 -0.048 0.000 0.721 339 K HN 0.357 nan 8.250 nan 0.000 0.447 340 V N 1.291 121.132 119.914 -0.122 0.000 2.379 340 V HA -0.161 3.959 4.120 -0.000 0.000 0.243 340 V C 2.211 178.207 176.094 -0.164 0.000 1.035 340 V CA 1.247 63.468 62.300 -0.131 0.000 1.035 340 V CB -0.297 31.438 31.823 -0.147 0.000 0.673 340 V HN 0.271 nan 8.190 nan 0.000 0.457 341 L N 0.055 121.115 121.223 -0.271 0.000 2.191 341 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 341 L C 2.497 179.239 176.870 -0.212 0.000 1.103 341 L CA 1.404 55.998 54.840 -0.409 0.000 0.769 341 L CB -0.556 40.918 42.059 -0.976 0.000 0.908 341 L HN 0.275 nan 8.230 nan 0.000 0.438 342 S N -1.002 114.645 115.700 -0.089 0.000 2.395 342 S HA -0.120 4.350 4.470 -0.000 0.000 0.225 342 S C 2.085 176.711 174.600 0.044 0.000 1.027 342 S CA 1.553 59.796 58.200 0.072 0.000 0.965 342 S CB -0.249 62.995 63.200 0.074 0.000 0.812 342 S HN 0.620 nan 8.310 nan 0.000 0.482 343 T N 0.101 114.652 114.554 -0.004 0.000 2.985 343 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 343 T C 1.566 176.265 174.700 -0.002 0.000 1.076 343 T CA 1.062 63.160 62.100 -0.003 0.000 1.135 343 T CB -0.171 68.686 68.868 -0.019 0.000 0.890 343 T HN 0.259 nan 8.240 nan 0.000 0.480 344 E N 0.953 121.142 120.200 -0.019 0.000 2.158 344 E HA 0.155 4.505 4.350 -0.000 0.000 0.191 344 E C 0.523 177.143 176.600 0.033 0.000 0.982 344 E CA 0.656 57.049 56.400 -0.012 0.000 0.823 344 E CB -0.021 29.650 29.700 -0.049 0.000 0.766 344 E HN 0.558 nan 8.360 nan 0.000 0.468 345 M N 0.662 120.308 119.600 0.077 0.000 1.956 345 M HA 0.246 4.726 4.480 -0.000 0.000 0.256 345 M C -2.150 174.240 176.300 0.150 0.000 0.869 345 M CA -1.537 53.847 55.300 0.140 0.000 0.886 345 M CB 2.126 34.873 32.600 0.243 0.000 1.739 345 M HN -0.144 nan 8.290 nan 0.000 0.381 346 P HA -0.216 nan 4.420 nan 0.000 0.218 346 P C 1.036 178.373 177.300 0.062 0.000 1.149 346 P CA 1.528 64.670 63.100 0.070 0.000 0.817 346 P CB -0.007 31.719 31.700 0.043 0.000 0.785 347 E N 0.881 121.115 120.200 0.057 0.000 2.077 347 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 347 E C 0.984 177.588 176.600 0.007 0.000 0.989 347 E CA 0.838 57.257 56.400 0.031 0.000 0.800 347 E CB -0.392 29.326 29.700 0.029 0.000 0.746 347 E HN 0.235 nan 8.360 nan 0.000 0.452 348 R N 0.722 121.231 120.500 0.014 0.000 2.596 348 R HA 0.288 4.628 4.340 -0.000 0.000 0.267 348 R C 0.220 176.395 176.300 -0.207 0.000 1.026 348 R CA -0.571 55.449 56.100 -0.133 0.000 1.087 348 R CB 0.903 31.076 30.300 -0.211 0.000 1.132 348 R HN 0.129 nan 8.270 nan 0.000 0.531 349 N N 1.052 119.511 118.700 -0.403 0.000 2.384 349 N HA 0.234 4.974 4.740 -0.000 0.000 0.301 349 N C -1.057 174.071 175.510 -0.638 0.000 1.133 349 N CA -0.205 52.665 53.050 -0.300 0.000 0.853 349 N CB 1.079 39.495 38.487 -0.118 0.000 1.241 349 N HN 0.410 nan 8.380 nan 0.000 0.502 350 F N 0.386 120.345 119.950 0.015 0.000 2.837 350 F HA 0.256 4.783 4.527 -0.000 0.000 0.328 350 F C 0.837 176.532 175.800 -0.175 0.000 1.173 350 F CA -0.505 57.422 58.000 -0.121 0.000 1.160 350 F CB 0.624 39.524 39.000 -0.167 0.000 1.115 350 F HN 0.357 nan 8.300 nan 0.000 0.512 351 D N 0.206 120.652 120.400 0.077 0.000 2.228 351 D HA -0.259 4.381 4.640 -0.000 0.000 0.203 351 D C 2.066 178.414 176.300 0.080 0.000 0.988 351 D CA 1.800 55.839 54.000 0.064 0.000 0.864 351 D CB -0.362 40.477 40.800 0.065 0.000 0.928 351 D HN 0.573 nan 8.370 nan 0.000 0.469 352 Y N 0.111 120.473 120.300 0.104 0.000 2.224 352 Y HA -0.094 4.456 4.550 -0.000 0.000 0.289 352 Y C 1.858 177.846 175.900 0.146 0.000 1.146 352 Y CA 0.827 58.995 58.100 0.113 0.000 1.182 352 Y CB -0.972 37.557 38.460 0.115 0.000 0.983 352 Y HN -0.032 nan 8.280 nan 0.000 0.524 353 L N 0.217 121.264 121.223 -0.293 0.000 2.353 353 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 353 L C 2.292 179.162 176.870 0.001 0.000 1.133 353 L CA 0.751 55.528 54.840 -0.106 0.000 0.798 353 L CB -0.498 41.436 42.059 -0.207 0.000 0.922 353 L HN 0.373 nan 8.230 nan 0.000 0.445 354 L N -0.531 120.695 121.223 0.006 0.000 2.127 354 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 354 L C 2.151 179.053 176.870 0.054 0.000 1.080 354 L CA 0.714 55.569 54.840 0.026 0.000 0.768 354 L CB -0.495 41.577 42.059 0.021 0.000 0.924 354 L HN 0.339 nan 8.230 nan 0.000 0.444 355 N N -0.086 118.663 118.700 0.081 0.000 2.270 355 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 355 N C 0.769 176.346 175.510 0.112 0.000 1.016 355 N CA 0.589 53.691 53.050 0.087 0.000 0.870 355 N CB -0.191 38.352 38.487 0.093 0.000 0.979 355 N HN 0.418 nan 8.380 nan 0.000 0.431 356 Q N 0.462 120.355 119.800 0.156 0.000 2.417 356 Q HA 0.285 4.625 4.340 -0.000 0.000 0.241 356 Q C -0.034 176.053 176.000 0.144 0.000 1.008 356 Q CA 0.291 56.205 55.803 0.185 0.000 0.901 356 Q CB 0.892 29.785 28.738 0.257 0.000 1.259 356 Q HN 0.145 nan 8.270 nan 0.000 0.489 357 R N -0.161 120.433 120.500 0.156 0.000 2.808 357 R HA 0.717 5.057 4.340 -0.000 0.000 0.272 357 R C -0.271 176.092 176.300 0.104 0.000 0.995 357 R CA -0.279 55.894 56.100 0.121 0.000 0.917 357 R CB 1.905 32.287 30.300 0.137 0.000 1.217 357 R HN 0.903 nan 8.270 nan 0.000 0.471 358 G N 0.768 109.601 108.800 0.055 0.000 2.482 358 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.214 358 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.214 358 G C 0.332 175.144 174.900 -0.146 0.000 1.271 358 G CA -0.129 44.965 45.100 -0.010 0.000 0.944 358 G HN 0.518 nan 8.290 nan 0.000 0.568 359 M N -0.020 119.326 119.600 -0.423 0.000 2.506 359 M HA 0.314 4.794 4.480 -0.000 0.000 0.260 359 M C 0.253 176.183 176.300 -0.617 0.000 1.104 359 M CA 0.927 55.873 55.300 -0.589 0.000 1.112 359 M CB 0.030 32.111 32.600 -0.865 0.000 1.401 359 M HN 0.247 nan 8.290 nan 0.000 0.473 360 F N -1.271 118.669 119.950 -0.018 0.000 2.556 360 F HA 0.481 5.008 4.527 -0.000 0.000 0.327 360 F C 0.237 176.102 175.800 0.108 0.000 1.059 360 F CA -0.929 57.101 58.000 0.049 0.000 0.953 360 F CB 1.620 40.638 39.000 0.030 0.000 1.227 360 F HN -0.354 nan 8.300 nan 0.000 0.478 361 S N 0.032 115.963 115.700 0.385 0.000 2.541 361 S HA 0.357 4.827 4.470 -0.000 0.000 0.280 361 S C -1.608 173.242 174.600 0.418 0.000 1.112 361 S CA -0.635 57.783 58.200 0.363 0.000 0.925 361 S CB 0.997 64.388 63.200 0.319 0.000 1.067 361 S HN 0.552 nan 8.310 nan 0.000 0.479 362 Y N 2.730 123.129 120.300 0.165 0.000 2.556 362 Y HA 0.068 4.618 4.550 -0.000 0.000 0.352 362 Y C 2.156 178.174 175.900 0.196 0.000 1.006 362 Y CA -0.298 57.828 58.100 0.042 0.000 1.277 362 Y CB 0.534 38.818 38.460 -0.293 0.000 1.136 362 Y HN 0.922 nan 8.280 nan 0.000 0.523 363 T N -0.452 114.215 114.554 0.188 0.000 2.881 363 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 363 T C 1.760 176.522 174.700 0.103 0.000 1.068 363 T CA 1.058 63.285 62.100 0.213 0.000 1.131 363 T CB -0.205 68.647 68.868 -0.027 0.000 0.871 363 T HN 0.996 nan 8.240 nan 0.000 0.479 364 G N 0.659 109.402 108.800 -0.094 0.000 2.199 364 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 364 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 364 G C -0.060 174.764 174.900 -0.126 0.000 0.982 364 G CA 0.050 45.080 45.100 -0.117 0.000 0.632 364 G HN 0.580 nan 8.290 nan 0.000 0.529 365 L N 1.940 123.075 121.223 -0.145 0.000 2.506 365 L HA 0.475 4.815 4.340 -0.000 0.000 0.281 365 L C 1.584 178.370 176.870 -0.140 0.000 1.228 365 L CA 0.581 55.331 54.840 -0.150 0.000 0.850 365 L CB 0.751 42.678 42.059 -0.221 0.000 1.110 365 L HN 0.668 nan 8.230 nan 0.000 0.496 366 S N 1.496 117.137 115.700 -0.099 0.000 2.655 366 S HA 0.512 4.982 4.470 -0.000 0.000 0.265 366 S C 1.229 175.785 174.600 -0.073 0.000 1.240 366 S CA -0.154 57.998 58.200 -0.079 0.000 0.986 366 S CB 0.983 64.153 63.200 -0.050 0.000 0.985 366 S HN 0.711 nan 8.310 nan 0.000 0.562 367 A N 1.274 124.060 122.820 -0.057 0.000 1.940 367 A HA 0.104 4.424 4.320 -0.000 0.000 0.219 367 A C 2.366 179.930 177.584 -0.033 0.000 1.176 367 A CA 2.030 54.041 52.037 -0.043 0.000 0.631 367 A CB -1.706 17.276 19.000 -0.031 0.000 0.814 367 A HN 1.329 nan 8.150 nan 0.000 0.446 368 A N -0.845 121.958 122.820 -0.029 0.000 1.854 368 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 368 A C 2.103 179.677 177.584 -0.017 0.000 1.192 368 A CA 1.556 53.581 52.037 -0.019 0.000 0.611 368 A CB -0.596 18.396 19.000 -0.014 0.000 0.832 368 A HN 0.601 nan 8.150 nan 0.000 0.442 369 Q N -0.418 119.365 119.800 -0.027 0.000 2.135 369 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 369 Q C 2.101 178.083 176.000 -0.030 0.000 0.981 369 Q CA 1.601 57.388 55.803 -0.028 0.000 0.856 369 Q CB -0.391 28.312 28.738 -0.058 0.000 0.902 369 Q HN 0.481 nan 8.270 nan 0.000 0.425 370 V N 1.332 121.218 119.914 -0.046 0.000 2.237 370 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 370 V C 1.716 177.792 176.094 -0.030 0.000 1.046 370 V CA 2.035 64.311 62.300 -0.039 0.000 1.007 370 V CB -0.560 31.237 31.823 -0.042 0.000 0.638 370 V HN 0.387 nan 8.190 nan 0.000 0.445 371 D N -0.379 120.004 120.400 -0.029 0.000 2.154 371 D HA -0.262 4.378 4.640 -0.000 0.000 0.190 371 D C 2.313 178.598 176.300 -0.024 0.000 1.003 371 D CA 2.017 55.998 54.000 -0.032 0.000 0.849 371 D CB -0.251 40.535 40.800 -0.023 0.000 0.942 371 D HN 0.316 nan 8.370 nan 0.000 0.446 372 R N 0.164 120.669 120.500 0.009 0.000 2.081 372 R HA -0.034 4.306 4.340 -0.000 0.000 0.235 372 R C 2.654 179.033 176.300 0.131 0.000 1.131 372 R CA 0.539 56.670 56.100 0.052 0.000 0.960 372 R CB -0.302 30.048 30.300 0.083 0.000 0.856 372 R HN 0.158 nan 8.270 nan 0.000 0.436 373 L N 0.211 121.516 121.223 0.136 0.000 2.079 373 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 373 L C 2.767 179.696 176.870 0.097 0.000 1.081 373 L CA 1.840 56.803 54.840 0.204 0.000 0.752 373 L CB -0.378 41.752 42.059 0.119 0.000 0.896 373 L HN 0.290 nan 8.230 nan 0.000 0.433 374 R N -0.170 120.274 120.500 -0.093 0.000 2.052 374 R HA -0.113 4.227 4.340 -0.000 0.000 0.226 374 R C 2.135 178.306 176.300 -0.216 0.000 1.145 374 R CA 1.049 56.938 56.100 -0.352 0.000 0.952 374 R CB -0.237 29.732 30.300 -0.552 0.000 0.847 374 R HN 0.176 nan 8.270 nan 0.000 0.431 375 E N 0.509 120.626 120.200 -0.138 0.000 2.097 375 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 375 E C 1.623 178.141 176.600 -0.136 0.000 1.000 375 E CA 1.748 58.084 56.400 -0.106 0.000 0.804 375 E CB -0.025 29.629 29.700 -0.078 0.000 0.740 375 E HN 0.588 nan 8.360 nan 0.000 0.454 376 E N -1.715 118.376 120.200 -0.182 0.000 2.413 376 E HA 0.034 4.384 4.350 -0.000 0.000 0.203 376 E C 0.750 176.942 176.600 -0.679 0.000 0.957 376 E CA -0.052 56.082 56.400 -0.442 0.000 0.950 376 E CB 0.442 29.802 29.700 -0.568 0.000 0.957 376 E HN 0.100 nan 8.360 nan 0.000 0.497 377 F N -0.808 119.131 119.950 -0.018 0.000 2.798 377 F HA 0.337 4.864 4.527 -0.000 0.000 0.328 377 F C 1.048 176.860 175.800 0.019 0.000 1.098 377 F CA 0.237 58.240 58.000 0.005 0.000 1.172 377 F CB 1.410 40.423 39.000 0.022 0.000 1.072 377 F HN 0.023 nan 8.300 nan 0.000 0.555 378 G N 2.081 110.951 108.800 0.117 0.000 2.366 378 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.299 378 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.299 378 G C -0.406 174.660 174.900 0.276 0.000 1.020 378 G CA 0.308 45.496 45.100 0.147 0.000 1.026 378 G HN 0.192 nan 8.290 nan 0.000 0.512 379 V N 0.484 120.512 119.914 0.189 0.000 2.409 379 V HA 0.512 4.632 4.120 -0.000 0.000 0.291 379 V C -0.406 175.803 176.094 0.192 0.000 1.020 379 V CA -1.036 61.412 62.300 0.248 0.000 0.848 379 V CB 1.388 33.332 31.823 0.202 0.000 0.990 379 V HN 0.273 nan 8.190 nan 0.000 0.430 380 Y N 5.644 126.055 120.300 0.187 0.000 2.369 380 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 380 Y C 0.222 176.197 175.900 0.124 0.000 0.961 380 Y CA -0.352 57.848 58.100 0.166 0.000 1.186 380 Y CB 1.221 39.801 38.460 0.199 0.000 1.139 380 Y HN 0.470 nan 8.280 nan 0.000 0.494 381 L N 4.073 125.418 121.223 0.203 0.000 2.267 381 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 381 L C 0.005 176.952 176.870 0.129 0.000 1.021 381 L CA -1.529 53.410 54.840 0.166 0.000 0.861 381 L CB 1.641 43.777 42.059 0.128 0.000 1.443 381 L HN 0.455 nan 8.230 nan 0.000 0.475 382 I N -1.938 118.691 120.570 0.098 0.000 2.783 382 I HA 0.478 4.648 4.170 -0.000 0.000 0.312 382 I C 1.260 177.390 176.117 0.021 0.000 0.988 382 I CA -0.662 60.680 61.300 0.070 0.000 1.182 382 I CB 1.707 39.750 38.000 0.073 0.000 1.368 382 I HN 0.713 nan 8.210 nan 0.000 0.511 383 A N 2.906 125.735 122.820 0.015 0.000 2.009 383 A HA -0.235 4.085 4.320 -0.000 0.000 0.222 383 A C 2.214 179.768 177.584 -0.050 0.000 1.175 383 A CA 2.785 54.815 52.037 -0.012 0.000 0.651 383 A CB -1.378 17.620 19.000 -0.003 0.000 0.815 383 A HN 0.983 nan 8.150 nan 0.000 0.459 384 S N -2.741 112.926 115.700 -0.054 0.000 2.496 384 S HA 0.370 4.840 4.470 -0.000 0.000 0.224 384 S C 1.531 175.924 174.600 -0.346 0.000 0.996 384 S CA 1.110 59.227 58.200 -0.137 0.000 0.927 384 S CB -0.014 63.180 63.200 -0.011 0.000 0.774 384 S HN 1.936 nan 8.310 nan 0.000 0.524 385 G N 1.331 109.996 108.800 -0.225 0.000 2.201 385 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 385 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.212 385 G C 0.135 174.962 174.900 -0.122 0.000 0.994 385 G CA -0.157 44.790 45.100 -0.254 0.000 0.644 385 G HN 0.650 nan 8.290 nan 0.000 0.508 386 R N 1.363 121.859 120.500 -0.007 0.000 2.538 386 R HA 0.443 4.783 4.340 -0.000 0.000 0.282 386 R C 0.968 177.392 176.300 0.207 0.000 1.009 386 R CA 0.529 56.748 56.100 0.199 0.000 1.063 386 R CB -0.000 30.406 30.300 0.177 0.000 0.945 386 R HN 0.539 nan 8.270 nan 0.000 0.414 387 M N 3.542 123.314 119.600 0.288 0.000 2.528 387 M HA 0.330 4.810 4.480 -0.000 0.000 0.321 387 M C -0.932 175.602 176.300 0.390 0.000 1.153 387 M CA -0.890 54.590 55.300 0.300 0.000 0.951 387 M CB 1.877 34.650 32.600 0.288 0.000 1.705 387 M HN 0.532 nan 8.290 nan 0.000 0.451 388 C N 3.758 123.262 119.300 0.340 0.000 2.289 388 C HA 0.335 4.795 4.460 -0.000 0.000 0.340 388 C C 1.727 176.775 174.990 0.097 0.000 1.152 388 C CA -0.397 58.767 59.018 0.243 0.000 1.650 388 C CB -0.529 27.356 27.740 0.243 0.000 2.203 388 C HN 0.881 nan 8.230 nan 0.000 0.511 389 V N 5.629 125.565 119.914 0.038 0.000 2.546 389 V HA -0.218 3.902 4.120 -0.000 0.000 0.254 389 V C 2.513 178.586 176.094 -0.036 0.000 1.076 389 V CA 2.450 64.752 62.300 0.005 0.000 1.087 389 V CB -0.798 31.023 31.823 -0.004 0.000 0.674 389 V HN 1.016 nan 8.190 nan 0.000 0.470 390 A N 0.212 123.001 122.820 -0.051 0.000 2.121 390 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 390 A C 2.273 179.848 177.584 -0.015 0.000 1.154 390 A CA 1.309 53.298 52.037 -0.080 0.000 0.679 390 A CB -0.708 18.224 19.000 -0.114 0.000 0.795 390 A HN 0.547 nan 8.150 nan 0.000 0.458 391 G N -0.555 108.257 108.800 0.020 0.000 2.598 391 G HA2 0.184 4.144 3.960 -0.000 0.000 0.215 391 G HA3 0.184 4.144 3.960 -0.000 0.000 0.215 391 G C 0.596 175.402 174.900 -0.156 0.000 1.131 391 G CA -0.034 44.998 45.100 -0.113 0.000 0.785 391 G HN 0.438 nan 8.290 nan 0.000 0.539 392 L N 1.292 122.451 121.223 -0.106 0.000 2.397 392 L HA 0.365 4.705 4.340 -0.000 0.000 0.271 392 L C 0.054 176.855 176.870 -0.114 0.000 1.148 392 L CA -0.714 54.059 54.840 -0.111 0.000 0.825 392 L CB 1.081 43.080 42.059 -0.101 0.000 1.117 392 L HN 0.325 nan 8.230 nan 0.000 0.456 393 N N -1.679 116.958 118.700 -0.106 0.000 2.902 393 N HA 0.285 5.025 4.740 -0.000 0.000 0.268 393 N C 0.410 175.875 175.510 -0.075 0.000 1.450 393 N CA -0.299 52.700 53.050 -0.086 0.000 0.819 393 N CB 0.562 38.998 38.487 -0.084 0.000 1.540 393 N HN 0.470 nan 8.380 nan 0.000 0.545 394 T N -3.899 110.619 114.554 -0.059 0.000 2.867 394 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 394 T C 1.750 176.417 174.700 -0.055 0.000 1.057 394 T CA 1.118 63.185 62.100 -0.055 0.000 1.136 394 T CB -0.841 68.001 68.868 -0.043 0.000 0.874 394 T HN 0.647 nan 8.240 nan 0.000 0.466 395 A N 3.239 126.028 122.820 -0.051 0.000 1.978 395 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 395 A C 2.211 179.763 177.584 -0.053 0.000 1.170 395 A CA 1.931 53.941 52.037 -0.046 0.000 0.636 395 A CB -0.729 18.247 19.000 -0.041 0.000 0.810 395 A HN 0.800 nan 8.150 nan 0.000 0.448 396 N N -1.299 117.361 118.700 -0.068 0.000 2.250 396 N HA 0.025 4.765 4.740 -0.000 0.000 0.190 396 N C 1.136 176.586 175.510 -0.101 0.000 1.116 396 N CA 0.806 53.812 53.050 -0.073 0.000 0.881 396 N CB -0.458 37.986 38.487 -0.071 0.000 1.006 396 N HN 0.130 nan 8.380 nan 0.000 0.491 397 V N 0.960 120.809 119.914 -0.108 0.000 2.255 397 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 397 V C 2.422 178.418 176.094 -0.164 0.000 1.051 397 V CA 2.153 64.368 62.300 -0.141 0.000 1.018 397 V CB -0.543 31.207 31.823 -0.122 0.000 0.641 397 V HN 0.402 nan 8.190 nan 0.000 0.445 398 Q N -0.647 119.077 119.800 -0.126 0.000 2.077 398 Q HA -0.302 4.038 4.340 -0.000 0.000 0.206 398 Q C 2.514 178.433 176.000 -0.136 0.000 0.989 398 Q CA 2.527 58.257 55.803 -0.122 0.000 0.853 398 Q CB -0.220 28.467 28.738 -0.085 0.000 0.907 398 Q HN 0.603 nan 8.270 nan 0.000 0.418 399 R N -0.560 119.871 120.500 -0.115 0.000 2.075 399 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 399 R C 2.264 178.468 176.300 -0.161 0.000 1.126 399 R CA 1.144 57.182 56.100 -0.103 0.000 0.963 399 R CB -0.018 30.249 30.300 -0.055 0.000 0.858 399 R HN 0.121 nan 8.270 nan 0.000 0.435 400 V N 0.801 120.587 119.914 -0.213 0.000 2.407 400 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 400 V C 2.395 178.168 176.094 -0.534 0.000 1.055 400 V CA 1.915 64.008 62.300 -0.345 0.000 1.049 400 V CB -0.632 30.952 31.823 -0.399 0.000 0.662 400 V HN 0.494 nan 8.190 nan 0.000 0.455 401 A N -0.315 122.236 122.820 -0.450 0.000 1.877 401 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 401 A C 2.312 179.760 177.584 -0.227 0.000 1.186 401 A CA 1.657 53.462 52.037 -0.386 0.000 0.620 401 A CB -0.414 18.404 19.000 -0.303 0.000 0.822 401 A HN 0.441 nan 8.150 nan 0.000 0.443 402 K N -0.163 120.116 120.400 -0.201 0.000 2.032 402 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 402 K C 2.317 178.758 176.600 -0.264 0.000 1.048 402 K CA 1.422 57.604 56.287 -0.175 0.000 0.927 402 K CB -0.723 31.695 32.500 -0.137 0.000 0.712 402 K HN 0.458 nan 8.250 nan 0.000 0.441 403 A N 1.154 123.753 122.820 -0.368 0.000 1.940 403 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 403 A C 2.055 179.504 177.584 -0.224 0.000 1.176 403 A CA 1.319 52.971 52.037 -0.641 0.000 0.631 403 A CB -0.623 18.069 19.000 -0.514 0.000 0.814 403 A HN 0.142 nan 8.150 nan 0.000 0.446 404 F N 0.331 120.119 119.950 -0.270 0.000 2.102 404 F HA 0.087 4.614 4.527 -0.000 0.000 0.298 404 F C 2.062 177.783 175.800 -0.131 0.000 1.105 404 F CA -0.050 57.853 58.000 -0.162 0.000 1.239 404 F CB -1.261 37.654 39.000 -0.143 0.000 0.991 404 F HN 0.248 nan 8.300 nan 0.000 0.474 408 V N 2.510 122.419 119.914 -0.009 0.000 3.471 408 V HA 0.226 4.346 4.120 -0.000 0.000 0.258 408 V C 1.107 177.210 176.094 0.016 0.000 1.192 408 V CA 1.595 63.910 62.300 0.025 0.000 1.116 408 V CB -0.086 31.739 31.823 0.003 0.000 0.792 408 V HN 0.632 nan 8.190 nan 0.000 0.459 409 M N 0.000 119.608 119.600 0.014 0.000 2.572 409 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 409 M CA 0.000 55.315 55.300 0.025 0.000 0.988 409 M CB 0.000 32.628 32.600 0.047 0.000 1.302 409 M HN 0.000 nan 8.290 nan 0.000 0.411