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 2xq7_1_B DATA FIRST_RESID 7 DATA SEQUENCE PPPIADEPLT VNTGIYLIEC YSLDDKAETF KVNAFLSLSW KDRRLAFDPV DATA SEQUENCE RSGVRVKTYE PEAIWIPEIR FVNVENARDA DVVDISVSPD GTVQYLERFS DATA SEQUENCE ARVLSPLDFR RYPFDSQTLH IYLIVRSVDT RNIVLAVDLE KVGKNDDVFL DATA SEQUENCE TGWDIESFTA VVKPANFALE DRLESKLDYQ LRISRQYFSY IPNIILPMLF DATA SEQUENCE ILFISWTAFW STSYEANVTL VVSTLIAHIA FNILVETNLP KTPYMTYTGA DATA SEQUENCE IIFMIYLFYF VAVIEVTVQH YLKVESQPAR AASITRASRI AFPVVFLLAN DATA SEQUENCE IILAFLFFGF 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.172 177.300 -0.214 0.000 1.155 7 P CA 0.000 63.126 63.100 0.043 0.000 0.800 7 P CB 0.000 31.744 31.700 0.073 0.000 0.726 8 P HA 0.264 nan 4.420 nan 0.000 0.274 8 P C -2.496 174.303 177.300 -0.835 0.000 1.246 8 P CA -1.471 60.829 63.100 -1.334 0.000 0.795 8 P CB -0.288 30.921 31.700 -0.819 0.000 1.006 9 P HA 0.289 nan 4.420 nan 0.000 0.283 9 P C 0.053 177.192 177.300 -0.268 0.000 1.412 9 P CA -0.288 62.565 63.100 -0.411 0.000 0.912 9 P CB -0.054 31.475 31.700 -0.285 0.000 1.132 10 I N 2.454 122.914 120.570 -0.183 0.000 2.741 10 I HA 0.277 4.453 4.170 0.010 0.000 0.288 10 I C 0.868 176.936 176.117 -0.082 0.000 1.192 10 I CA 0.586 61.812 61.300 -0.122 0.000 1.426 10 I CB -0.145 37.804 38.000 -0.086 0.000 1.367 10 I HN 0.396 nan 8.210 nan 0.000 0.563 11 A N 4.809 127.587 122.820 -0.071 0.000 2.599 11 A HA 0.438 4.764 4.320 0.010 0.000 0.290 11 A C -0.123 177.440 177.584 -0.036 0.000 1.101 11 A CA -0.735 51.275 52.037 -0.044 0.000 0.674 11 A CB 1.157 20.132 19.000 -0.041 0.000 1.277 11 A HN 0.664 nan 8.150 nan 0.000 0.419 12 D N 0.183 120.570 120.400 -0.022 0.000 2.289 12 D HA 0.139 4.785 4.640 0.010 0.000 0.207 12 D C 0.287 176.577 176.300 -0.016 0.000 0.966 12 D CA 1.119 55.109 54.000 -0.018 0.000 0.868 12 D CB 0.489 41.282 40.800 -0.012 0.000 0.943 12 D HN 0.460 nan 8.370 nan 0.000 0.514 13 E N -0.739 119.453 120.200 -0.014 0.000 2.421 13 E HA 0.384 4.740 4.350 0.010 0.000 0.265 13 E C -2.600 173.996 176.600 -0.007 0.000 0.990 13 E CA -1.936 54.458 56.400 -0.009 0.000 0.874 13 E CB 0.180 29.878 29.700 -0.003 0.000 1.646 13 E HN -0.251 nan 8.360 nan 0.000 0.451 14 P HA 0.036 nan 4.420 nan 0.000 0.258 14 P C -0.353 176.959 177.300 0.020 0.000 1.187 14 P CA -0.115 62.988 63.100 0.006 0.000 0.767 14 P CB -0.045 31.659 31.700 0.007 0.000 0.770 15 L N 4.859 126.095 121.223 0.022 0.000 2.418 15 L HA 0.179 4.525 4.340 0.010 0.000 0.274 15 L C -0.035 176.882 176.870 0.077 0.000 1.135 15 L CA 0.917 55.790 54.840 0.055 0.000 0.870 15 L CB -0.156 41.927 42.059 0.040 0.000 1.154 15 L HN 0.223 nan 8.230 nan 0.000 0.462 16 T N 5.255 119.871 114.554 0.103 0.000 2.767 16 T HA 0.512 4.867 4.350 0.010 0.000 0.288 16 T C -0.513 174.286 174.700 0.165 0.000 0.963 16 T CA -0.318 61.846 62.100 0.107 0.000 1.019 16 T CB 0.858 69.779 68.868 0.088 0.000 0.923 16 T HN 0.411 nan 8.240 nan 0.000 0.468 17 V N 5.781 125.781 119.914 0.144 0.000 2.378 17 V HA 0.341 4.467 4.120 0.010 0.000 0.288 17 V C 0.179 176.378 176.094 0.175 0.000 1.016 17 V CA -1.162 61.252 62.300 0.191 0.000 0.840 17 V CB 1.269 33.150 31.823 0.097 0.000 0.994 17 V HN 0.782 nan 8.190 nan 0.000 0.431 18 N N 3.675 122.498 118.700 0.206 0.000 2.430 18 N HA 0.306 5.052 4.740 0.010 0.000 0.265 18 N C 0.270 175.899 175.510 0.199 0.000 1.100 18 N CA -0.051 53.103 53.050 0.173 0.000 0.961 18 N CB 1.856 40.433 38.487 0.149 0.000 1.075 18 N HN 0.804 nan 8.380 nan 0.000 0.478 19 T N -1.109 113.566 114.554 0.201 0.000 2.936 19 T HA 0.826 5.182 4.350 0.010 0.000 0.282 19 T C 0.457 175.325 174.700 0.280 0.000 1.003 19 T CA -1.025 61.224 62.100 0.249 0.000 1.005 19 T CB 2.135 71.182 68.868 0.298 0.000 1.097 19 T HN 0.457 nan 8.240 nan 0.000 0.532 20 G N 0.524 109.504 108.800 0.301 0.000 2.289 20 G HA2 0.481 4.447 3.960 0.010 0.000 0.315 20 G HA3 0.481 4.447 3.960 0.010 0.000 0.315 20 G C -1.203 173.862 174.900 0.274 0.000 1.587 20 G CA -0.934 44.354 45.100 0.312 0.000 0.949 20 G HN 0.849 nan 8.290 nan 0.000 0.626 21 I N 1.268 121.976 120.570 0.231 0.000 2.498 21 I HA 0.487 4.663 4.170 0.010 0.000 0.301 21 I C -0.866 175.549 176.117 0.496 0.000 0.984 21 I CA -1.131 60.349 61.300 0.300 0.000 1.204 21 I CB 2.240 40.304 38.000 0.106 0.000 1.362 21 I HN 0.571 nan 8.210 nan 0.000 0.471 22 Y N 6.155 126.665 120.300 0.350 0.000 2.535 22 Y HA 0.450 5.006 4.550 0.010 0.000 0.341 22 Y C -0.654 175.303 175.900 0.096 0.000 1.041 22 Y CA -0.739 57.526 58.100 0.275 0.000 1.307 22 Y CB 0.760 39.397 38.460 0.295 0.000 1.095 22 Y HN 0.382 nan 8.280 nan 0.000 0.534 23 L N 6.448 127.591 121.223 -0.133 0.000 2.559 23 L HA -0.002 4.344 4.340 0.010 0.000 0.282 23 L C 0.627 177.356 176.870 -0.234 0.000 1.232 23 L CA 0.861 55.553 54.840 -0.247 0.000 0.885 23 L CB 0.522 42.341 42.059 -0.399 0.000 1.131 23 L HN 0.756 nan 8.230 nan 0.000 0.498 24 I N -0.185 120.288 120.570 -0.161 0.000 3.971 24 I HA 0.168 4.344 4.170 0.010 0.000 0.303 24 I C 0.290 176.363 176.117 -0.074 0.000 1.233 24 I CA 0.386 61.622 61.300 -0.106 0.000 1.346 24 I CB 0.396 38.282 38.000 -0.190 0.000 1.273 24 I HN 0.509 nan 8.210 nan 0.000 0.448 25 E N 0.727 120.894 120.200 -0.055 0.000 2.260 25 E HA 0.379 4.735 4.350 0.010 0.000 0.266 25 E C -1.658 175.014 176.600 0.120 0.000 0.887 25 E CA -0.310 56.131 56.400 0.069 0.000 0.777 25 E CB 2.538 32.305 29.700 0.113 0.000 1.205 25 E HN 0.029 nan 8.360 nan 0.000 0.414 26 C N 3.174 122.558 119.300 0.139 0.000 2.397 26 C HA 0.871 5.337 4.460 0.010 0.000 0.343 26 C C -0.735 174.412 174.990 0.261 0.000 1.188 26 C CA -0.426 58.645 59.018 0.088 0.000 1.992 26 C CB -0.277 27.467 27.740 0.007 0.000 2.358 26 C HN 0.793 nan 8.230 nan 0.000 0.518 27 Y N -1.700 118.616 120.300 0.026 0.000 2.810 27 Y HA 0.465 5.020 4.550 0.010 0.000 0.355 27 Y C 0.019 175.927 175.900 0.013 0.000 1.211 27 Y CA -0.761 57.331 58.100 -0.013 0.000 1.112 27 Y CB -0.097 38.342 38.460 -0.035 0.000 1.383 27 Y HN 0.549 nan 8.280 nan 0.000 0.458 28 S N 0.792 116.592 115.700 0.165 0.000 3.524 28 S HA -0.225 4.251 4.470 0.010 0.000 0.377 28 S C -0.402 174.235 174.600 0.062 0.000 0.949 28 S CA 0.788 59.054 58.200 0.110 0.000 1.264 28 S CB -1.102 62.191 63.200 0.154 0.000 0.918 28 S HN 0.747 nan 8.310 nan 0.000 0.517 29 L N 2.229 123.489 121.223 0.061 0.000 2.485 29 L HA 0.138 4.484 4.340 0.010 0.000 0.279 29 L C 0.409 177.353 176.870 0.124 0.000 1.124 29 L CA 0.134 55.003 54.840 0.048 0.000 0.888 29 L CB 0.301 42.268 42.059 -0.153 0.000 1.217 29 L HN 0.251 nan 8.230 nan 0.000 0.464 30 D N 3.715 124.189 120.400 0.124 0.000 2.428 30 D HA 0.033 4.679 4.640 0.010 0.000 0.221 30 D C 0.453 176.865 176.300 0.186 0.000 1.123 30 D CA -0.251 53.832 54.000 0.139 0.000 0.869 30 D CB 1.209 42.069 40.800 0.100 0.000 1.032 30 D HN 0.628 nan 8.370 nan 0.000 0.506 31 D N 2.358 122.910 120.400 0.253 0.000 2.092 31 D HA -0.182 4.464 4.640 0.010 0.000 0.193 31 D C 1.939 178.397 176.300 0.263 0.000 0.994 31 D CA 1.130 55.349 54.000 0.365 0.000 0.828 31 D CB 0.443 41.492 40.800 0.415 0.000 0.963 31 D HN 0.273 nan 8.370 nan 0.000 0.450 32 K N 0.293 120.771 120.400 0.130 0.000 2.020 32 K HA -0.140 4.186 4.320 0.010 0.000 0.212 32 K C 2.065 178.719 176.600 0.090 0.000 1.050 32 K CA 1.349 57.671 56.287 0.058 0.000 0.929 32 K CB -0.473 32.042 32.500 0.025 0.000 0.714 32 K HN 0.157 nan 8.250 nan 0.000 0.443 33 A N 0.543 123.423 122.820 0.101 0.000 2.016 33 A HA -0.081 4.245 4.320 0.010 0.000 0.217 33 A C 0.239 177.892 177.584 0.115 0.000 1.162 33 A CA 0.788 52.878 52.037 0.089 0.000 0.662 33 A CB 0.013 19.055 19.000 0.070 0.000 0.812 33 A HN 0.460 nan 8.150 nan 0.000 0.450 34 E N -0.200 120.094 120.200 0.158 0.000 2.468 34 E HA -0.140 4.215 4.350 0.010 0.000 0.264 34 E C -0.015 176.661 176.600 0.126 0.000 1.069 34 E CA 0.785 57.282 56.400 0.161 0.000 0.768 34 E CB -2.572 27.226 29.700 0.163 0.000 1.332 34 E HN 0.846 nan 8.360 nan 0.000 0.398 35 T N -2.056 112.574 114.554 0.126 0.000 2.865 35 T HA 0.842 5.198 4.350 0.010 0.000 0.294 35 T C -0.532 174.287 174.700 0.198 0.000 1.119 35 T CA -0.781 61.395 62.100 0.126 0.000 1.007 35 T CB 2.391 71.285 68.868 0.043 0.000 1.225 35 T HN 0.348 nan 8.240 nan 0.000 0.515 36 F N -1.562 118.316 119.950 -0.120 0.000 2.668 36 F HA 0.803 5.335 4.527 0.010 0.000 0.309 36 F C -1.662 173.995 175.800 -0.238 0.000 1.117 36 F CA -1.371 56.516 58.000 -0.188 0.000 0.951 36 F CB 1.476 40.330 39.000 -0.243 0.000 1.323 36 F HN 0.673 nan 8.300 nan 0.000 0.451 37 K N 2.378 122.492 120.400 -0.476 0.000 2.274 37 K HA 0.679 5.005 4.320 0.010 0.000 0.262 37 K C -1.392 174.692 176.600 -0.861 0.000 0.961 37 K CA -1.028 54.805 56.287 -0.757 0.000 0.833 37 K CB 2.447 34.430 32.500 -0.862 0.000 1.102 37 K HN 0.650 nan 8.250 nan 0.000 0.436 38 V N 2.429 121.992 119.914 -0.586 0.000 2.919 38 V HA 0.507 4.633 4.120 0.010 0.000 0.316 38 V C -1.488 174.447 176.094 -0.265 0.000 1.077 38 V CA -0.658 61.434 62.300 -0.347 0.000 0.977 38 V CB 2.014 33.712 31.823 -0.207 0.000 1.039 38 V HN 0.896 nan 8.190 nan 0.000 0.441 39 N N 3.491 122.041 118.700 -0.250 0.000 2.581 39 N HA 0.770 5.516 4.740 0.010 0.000 0.279 39 N C -0.955 174.286 175.510 -0.449 0.000 1.124 39 N CA 0.383 53.236 53.050 -0.329 0.000 0.833 39 N CB 1.709 40.160 38.487 -0.061 0.000 1.338 39 N HN 1.075 nan 8.380 nan 0.000 0.533 40 A N 1.738 124.056 122.820 -0.837 0.000 2.524 40 A HA 0.743 5.069 4.320 0.010 0.000 0.286 40 A C -1.444 176.004 177.584 -0.226 0.000 1.203 40 A CA -0.515 51.234 52.037 -0.480 0.000 0.736 40 A CB 0.652 19.515 19.000 -0.228 0.000 1.322 40 A HN 0.388 nan 8.150 nan 0.000 0.424 41 F N -0.123 119.889 119.950 0.103 0.000 2.375 41 F HA 0.583 5.116 4.527 0.010 0.000 0.333 41 F C 0.041 176.053 175.800 0.354 0.000 1.104 41 F CA -0.892 57.219 58.000 0.185 0.000 1.149 41 F CB 1.539 40.626 39.000 0.145 0.000 1.190 41 F HN 0.329 nan 8.300 nan 0.000 0.533 42 L N 2.326 123.879 121.223 0.550 0.000 2.333 42 L HA 0.502 4.848 4.340 0.010 0.000 0.280 42 L C -0.603 176.431 176.870 0.273 0.000 1.004 42 L CA -0.132 54.961 54.840 0.420 0.000 0.820 42 L CB 1.591 43.882 42.059 0.386 0.000 1.247 42 L HN 0.423 nan 8.230 nan 0.000 0.416 43 S N 5.883 121.737 115.700 0.257 0.000 2.474 43 S HA 0.699 5.175 4.470 0.010 0.000 0.321 43 S C -0.448 174.315 174.600 0.271 0.000 1.080 43 S CA -0.472 57.855 58.200 0.211 0.000 1.106 43 S CB 0.591 63.893 63.200 0.170 0.000 0.984 43 S HN 0.514 nan 8.310 nan 0.000 0.464 44 L N 2.417 123.856 121.223 0.360 0.000 2.313 44 L HA 0.844 5.190 4.340 0.010 0.000 0.268 44 L C -0.001 177.106 176.870 0.394 0.000 1.010 44 L CA -0.650 54.423 54.840 0.390 0.000 0.814 44 L CB 1.955 44.264 42.059 0.417 0.000 1.304 44 L HN 0.699 nan 8.230 nan 0.000 0.441 45 S N 1.001 116.969 115.700 0.446 0.000 2.561 45 S HA 0.439 4.915 4.470 0.010 0.000 0.292 45 S C -1.651 173.194 174.600 0.408 0.000 1.107 45 S CA -0.856 57.519 58.200 0.292 0.000 0.969 45 S CB 0.360 63.645 63.200 0.142 0.000 1.150 45 S HN 0.677 nan 8.310 nan 0.000 0.451 46 W N 2.908 124.267 121.300 0.098 0.000 3.032 46 W HA 0.796 5.462 4.660 0.010 0.000 0.341 46 W C -1.159 175.418 176.519 0.096 0.000 1.202 46 W CA -1.122 56.285 57.345 0.103 0.000 1.132 46 W CB 0.793 30.339 29.460 0.144 0.000 1.465 46 W HN 0.782 nan 8.180 nan 0.000 0.576 47 K N 1.599 122.121 120.400 0.204 0.000 2.213 47 K HA 0.348 4.673 4.320 0.010 0.000 0.270 47 K C -1.239 175.471 176.600 0.183 0.000 1.002 47 K CA -0.448 55.882 56.287 0.073 0.000 0.868 47 K CB 1.710 34.245 32.500 0.059 0.000 1.093 47 K HN 0.468 nan 8.250 nan 0.000 0.454 48 D N 4.424 124.883 120.400 0.098 0.000 2.441 48 D HA 0.148 4.794 4.640 0.010 0.000 0.287 48 D C 0.773 177.118 176.300 0.075 0.000 1.198 48 D CA -0.690 53.407 54.000 0.161 0.000 0.894 48 D CB 0.666 41.639 40.800 0.289 0.000 1.070 48 D HN 0.732 nan 8.370 nan 0.000 0.499 49 R N 1.504 122.035 120.500 0.051 0.000 2.139 49 R HA -0.148 4.198 4.340 0.010 0.000 0.243 49 R C 1.803 178.128 176.300 0.042 0.000 1.145 49 R CA 0.560 56.680 56.100 0.033 0.000 0.976 49 R CB -0.322 29.989 30.300 0.018 0.000 0.866 49 R HN 0.175 nan 8.270 nan 0.000 0.449 50 R N 1.608 122.131 120.500 0.038 0.000 2.316 50 R HA -0.130 4.216 4.340 0.010 0.000 0.257 50 R C 0.991 177.327 176.300 0.061 0.000 1.198 50 R CA 1.641 57.764 56.100 0.037 0.000 1.026 50 R CB -0.198 30.115 30.300 0.023 0.000 0.872 50 R HN 0.520 nan 8.270 nan 0.000 0.482 51 L N -4.097 117.177 121.223 0.086 0.000 3.313 51 L HA 0.578 4.924 4.340 0.010 0.000 0.320 51 L C -0.225 176.819 176.870 0.291 0.000 1.304 51 L CA -0.846 54.081 54.840 0.145 0.000 0.920 51 L CB 0.809 42.907 42.059 0.064 0.000 1.357 51 L HN -0.170 nan 8.230 nan 0.000 0.602 52 A N 1.406 124.334 122.820 0.179 0.000 2.425 52 A HA 0.585 4.911 4.320 0.010 0.000 0.242 52 A C -0.264 177.446 177.584 0.209 0.000 1.077 52 A CA 0.139 52.234 52.037 0.097 0.000 0.781 52 A CB -0.058 18.937 19.000 -0.009 0.000 1.020 52 A HN 0.644 nan 8.150 nan 0.000 0.494 53 F N -0.590 119.375 119.950 0.027 0.000 2.946 53 F HA 0.400 4.933 4.527 0.010 0.000 0.375 53 F C -0.373 175.439 175.800 0.019 0.000 1.320 53 F CA -1.026 56.993 58.000 0.031 0.000 1.181 53 F CB -0.778 38.253 39.000 0.052 0.000 2.051 53 F HN 0.647 nan 8.300 nan 0.000 0.622 54 D N 0.572 120.977 120.400 0.007 0.000 3.061 54 D HA -0.224 4.422 4.640 0.010 0.000 0.203 54 D C -2.091 174.236 176.300 0.045 0.000 1.245 54 D CA 0.185 54.200 54.000 0.025 0.000 0.812 54 D CB -0.554 40.285 40.800 0.066 0.000 0.857 54 D HN 0.359 nan 8.370 nan 0.000 0.387 55 P HA -0.213 nan 4.420 nan 0.000 0.216 55 P C 1.505 178.833 177.300 0.047 0.000 1.153 55 P CA 0.935 64.041 63.100 0.010 0.000 0.858 55 P CB 0.215 31.885 31.700 -0.050 0.000 0.789 56 V N -0.185 119.743 119.914 0.024 0.000 2.446 56 V HA -0.099 4.026 4.120 0.010 0.000 0.244 56 V C 2.288 178.400 176.094 0.031 0.000 1.039 56 V CA 1.307 63.621 62.300 0.023 0.000 1.045 56 V CB -0.989 30.840 31.823 0.009 0.000 0.681 56 V HN 0.035 nan 8.190 nan 0.000 0.459 57 R N 1.726 122.248 120.500 0.037 0.000 2.241 57 R HA 0.014 4.360 4.340 0.010 0.000 0.224 57 R C 0.767 177.092 176.300 0.041 0.000 1.101 57 R CA 1.135 57.256 56.100 0.036 0.000 0.995 57 R CB -0.477 29.846 30.300 0.040 0.000 0.870 57 R HN 0.703 nan 8.270 nan 0.000 0.463 58 S N -2.695 113.038 115.700 0.055 0.000 2.622 58 S HA 0.462 4.938 4.470 0.010 0.000 0.275 58 S C 0.139 174.772 174.600 0.056 0.000 1.112 58 S CA -0.290 57.937 58.200 0.046 0.000 0.837 58 S CB 1.430 64.655 63.200 0.041 0.000 1.082 58 S HN 0.413 nan 8.310 nan 0.000 0.456 59 G N 0.726 109.540 108.800 0.024 0.000 2.574 59 G HA2 0.045 4.011 3.960 0.010 0.000 0.282 59 G HA3 0.045 4.011 3.960 0.010 0.000 0.282 59 G C 0.361 175.281 174.900 0.033 0.000 1.257 59 G CA 1.296 46.401 45.100 0.009 0.000 0.956 59 G HN 2.246 nan 8.290 nan 0.000 0.560 60 V N -3.342 116.597 119.914 0.042 0.000 3.998 60 V HA 0.774 4.900 4.120 0.010 0.000 0.297 60 V C 1.992 178.151 176.094 0.109 0.000 1.378 60 V CA 0.761 63.093 62.300 0.053 0.000 0.949 60 V CB 0.771 32.607 31.823 0.022 0.000 1.258 60 V HN 1.254 nan 8.190 nan 0.000 0.471 61 R N -0.347 120.201 120.500 0.081 0.000 2.083 61 R HA 0.045 4.391 4.340 0.010 0.000 0.237 61 R C 0.021 176.429 176.300 0.180 0.000 1.137 61 R CA 2.082 58.238 56.100 0.094 0.000 0.951 61 R CB -0.078 30.251 30.300 0.048 0.000 0.851 61 R HN 0.621 nan 8.270 nan 0.000 0.434 62 V N 0.225 120.234 119.914 0.159 0.000 3.078 62 V HA 0.281 4.407 4.120 0.010 0.000 0.311 62 V C -1.356 174.749 176.094 0.018 0.000 1.138 62 V CA -1.056 61.363 62.300 0.198 0.000 1.007 62 V CB 1.987 33.876 31.823 0.111 0.000 1.045 62 V HN 0.133 nan 8.190 nan 0.000 0.432 63 K N 1.075 121.395 120.400 -0.134 0.000 2.323 63 K HA 0.584 4.910 4.320 0.010 0.000 0.259 63 K C -0.507 175.905 176.600 -0.314 0.000 0.947 63 K CA -0.035 56.032 56.287 -0.367 0.000 0.819 63 K CB 1.724 33.789 32.500 -0.725 0.000 1.109 63 K HN 0.723 nan 8.250 nan 0.000 0.429 64 T N 3.981 118.349 114.554 -0.311 0.000 2.869 64 T HA 0.362 4.718 4.350 0.010 0.000 0.295 64 T C -1.069 173.422 174.700 -0.348 0.000 0.987 64 T CA 0.194 62.172 62.100 -0.202 0.000 1.109 64 T CB 0.030 68.821 68.868 -0.128 0.000 0.932 64 T HN 0.380 nan 8.240 nan 0.000 0.518 65 Y N 1.403 121.680 120.300 -0.039 0.000 2.485 65 Y HA 0.462 5.018 4.550 0.010 0.000 0.345 65 Y C 0.379 176.284 175.900 0.009 0.000 0.998 65 Y CA -1.199 56.891 58.100 -0.017 0.000 1.059 65 Y CB 1.462 39.921 38.460 -0.002 0.000 1.234 65 Y HN 0.484 nan 8.280 nan 0.000 0.461 66 E N 3.216 123.526 120.200 0.184 0.000 2.354 66 E HA 0.192 4.548 4.350 0.010 0.000 0.269 66 E C -1.883 174.806 176.600 0.149 0.000 1.036 66 E CA -1.907 54.568 56.400 0.126 0.000 0.876 66 E CB 0.879 30.629 29.700 0.084 0.000 1.009 66 E HN 0.264 nan 8.360 nan 0.000 0.416 67 P HA -0.194 nan 4.420 nan 0.000 0.217 67 P C 0.344 177.690 177.300 0.077 0.000 1.148 67 P CA 1.129 64.302 63.100 0.121 0.000 0.828 67 P CB 0.223 31.993 31.700 0.117 0.000 0.783 68 E N -0.235 120.007 120.200 0.069 0.000 2.204 68 E HA -0.147 4.209 4.350 0.010 0.000 0.195 68 E C 1.905 178.541 176.600 0.060 0.000 0.990 68 E CA 1.462 57.894 56.400 0.052 0.000 0.821 68 E CB -1.087 28.642 29.700 0.048 0.000 0.750 68 E HN 0.258 nan 8.360 nan 0.000 0.477 69 A N 1.550 124.420 122.820 0.083 0.000 1.898 69 A HA 0.045 4.371 4.320 0.010 0.000 0.214 69 A C 1.467 179.063 177.584 0.021 0.000 1.183 69 A CA 0.502 52.587 52.037 0.080 0.000 0.622 69 A CB -0.013 19.094 19.000 0.178 0.000 0.824 69 A HN 0.071 nan 8.150 nan 0.000 0.444 70 I N -2.996 117.572 120.570 -0.002 0.000 2.918 70 I HA 0.221 4.397 4.170 0.010 0.000 0.316 70 I C -0.146 176.055 176.117 0.141 0.000 1.001 70 I CA -1.207 60.100 61.300 0.013 0.000 1.142 70 I CB 0.361 38.342 38.000 -0.032 0.000 1.356 70 I HN 0.537 nan 8.210 nan 0.000 0.524 71 W N 4.950 126.272 121.300 0.036 0.000 2.311 71 W HA 0.510 5.176 4.660 0.010 0.000 0.310 71 W C -0.929 175.617 176.519 0.044 0.000 1.274 71 W CA -0.073 57.284 57.345 0.020 0.000 1.215 71 W CB 0.453 29.916 29.460 0.005 0.000 1.227 71 W HN 0.218 nan 8.180 nan 0.000 0.523 72 I N 8.854 128.932 120.570 -0.820 0.000 2.498 72 I HA 0.265 4.441 4.170 0.010 0.000 0.290 72 I C -1.942 173.221 176.117 -1.589 0.000 1.032 72 I CA -2.395 58.277 61.300 -1.047 0.000 1.073 72 I CB 1.934 39.609 38.000 -0.542 0.000 1.251 72 I HN 0.242 nan 8.210 nan 0.000 0.426 73 P HA 0.152 nan 4.420 nan 0.000 0.271 73 P C -1.013 175.870 177.300 -0.696 0.000 1.226 73 P CA -0.278 62.098 63.100 -1.206 0.000 0.765 73 P CB 0.346 31.472 31.700 -0.956 0.000 0.835 74 E N 2.976 122.893 120.200 -0.472 0.000 2.104 74 E HA 0.152 4.508 4.350 0.010 0.000 0.278 74 E C -0.143 176.325 176.600 -0.220 0.000 1.127 74 E CA -0.165 56.049 56.400 -0.310 0.000 0.897 74 E CB 0.192 29.761 29.700 -0.217 0.000 1.043 74 E HN 0.291 nan 8.360 nan 0.000 0.410 75 I N 4.446 124.890 120.570 -0.211 0.000 2.307 75 I HA 0.211 4.387 4.170 0.010 0.000 0.289 75 I C 0.358 176.404 176.117 -0.117 0.000 1.021 75 I CA -0.314 60.917 61.300 -0.115 0.000 1.224 75 I CB 0.641 38.595 38.000 -0.078 0.000 1.376 75 I HN 0.371 nan 8.210 nan 0.000 0.470 76 R N 5.172 125.642 120.500 -0.049 0.000 2.604 76 R HA 0.564 4.910 4.340 0.010 0.000 0.287 76 R C -0.819 175.558 176.300 0.128 0.000 0.970 76 R CA -0.758 55.312 56.100 -0.051 0.000 0.946 76 R CB 1.572 31.853 30.300 -0.032 0.000 1.127 76 R HN 0.158 nan 8.270 nan 0.000 0.473 77 F N 0.977 120.886 119.950 -0.068 0.000 2.399 77 F HA 0.109 4.642 4.527 0.010 0.000 0.342 77 F C 1.462 177.275 175.800 0.022 0.000 1.106 77 F CA -1.195 56.787 58.000 -0.031 0.000 1.196 77 F CB 1.068 40.020 39.000 -0.080 0.000 1.163 77 F HN 0.253 nan 8.300 nan 0.000 0.547 78 V N 1.754 121.826 119.914 0.264 0.000 2.331 78 V HA -0.175 3.951 4.120 0.010 0.000 0.242 78 V C 0.707 176.899 176.094 0.162 0.000 1.034 78 V CA 1.234 63.642 62.300 0.181 0.000 1.027 78 V CB -0.738 31.189 31.823 0.173 0.000 0.667 78 V HN 0.757 nan 8.190 nan 0.000 0.457 79 N N 1.107 119.925 118.700 0.196 0.000 3.124 79 N HA 0.395 5.141 4.740 0.010 0.000 0.284 79 N C -0.933 174.631 175.510 0.089 0.000 1.209 79 N CA -0.120 53.010 53.050 0.135 0.000 1.149 79 N CB 0.642 39.214 38.487 0.142 0.000 1.434 79 N HN 0.230 nan 8.380 nan 0.000 0.529 80 V N 0.362 120.332 119.914 0.094 0.000 2.962 80 V HA 0.196 4.322 4.120 0.010 0.000 0.313 80 V C 0.843 176.962 176.094 0.042 0.000 1.099 80 V CA -0.860 61.484 62.300 0.074 0.000 0.971 80 V CB 2.177 34.080 31.823 0.133 0.000 1.028 80 V HN 0.454 nan 8.190 nan 0.000 0.430 81 E N 1.945 122.158 120.200 0.021 0.000 1.997 81 E HA -0.079 4.277 4.350 0.010 0.000 0.196 81 E C -0.070 176.537 176.600 0.012 0.000 0.990 81 E CA 1.165 57.573 56.400 0.014 0.000 0.845 81 E CB 0.035 29.738 29.700 0.005 0.000 0.795 81 E HN 0.824 nan 8.360 nan 0.000 0.479 82 N N 0.238 118.943 118.700 0.007 0.000 2.478 82 N HA 0.401 5.147 4.740 0.010 0.000 0.275 82 N C -0.561 174.947 175.510 -0.003 0.000 1.221 82 N CA -0.311 52.740 53.050 0.001 0.000 0.979 82 N CB 0.591 39.078 38.487 0.000 0.000 1.202 82 N HN 0.231 nan 8.380 nan 0.000 0.564 83 A N 0.190 123.000 122.820 -0.017 0.000 2.577 83 A HA 0.028 4.354 4.320 0.010 0.000 0.233 83 A C 0.391 177.946 177.584 -0.049 0.000 1.076 83 A CA 0.045 52.057 52.037 -0.042 0.000 0.767 83 A CB -0.082 18.888 19.000 -0.050 0.000 1.017 83 A HN 0.654 nan 8.150 nan 0.000 0.511 84 R N 0.628 121.060 120.500 -0.115 0.000 2.774 84 R HA 0.253 4.599 4.340 0.010 0.000 0.269 84 R C -0.973 175.294 176.300 -0.055 0.000 1.068 84 R CA -0.351 55.670 56.100 -0.132 0.000 1.180 84 R CB 0.364 30.393 30.300 -0.451 0.000 1.077 84 R HN 0.629 nan 8.270 nan 0.000 0.513 85 D N 0.242 120.660 120.400 0.029 0.000 2.432 85 D HA 0.359 5.005 4.640 0.010 0.000 0.265 85 D C -1.285 175.067 176.300 0.085 0.000 1.160 85 D CA -0.140 53.888 54.000 0.046 0.000 0.911 85 D CB 1.237 42.067 40.800 0.051 0.000 1.052 85 D HN 0.609 nan 8.370 nan 0.000 0.508 86 A N 2.498 125.358 122.820 0.067 0.000 2.337 86 A HA 0.715 5.041 4.320 0.010 0.000 0.331 86 A C -0.824 176.807 177.584 0.078 0.000 1.137 86 A CA -0.655 51.446 52.037 0.107 0.000 0.807 86 A CB 1.353 20.416 19.000 0.105 0.000 1.250 86 A HN 0.306 nan 8.150 nan 0.000 0.468 87 D N 0.410 120.862 120.400 0.087 0.000 2.788 87 D HA 0.430 5.075 4.640 0.010 0.000 0.247 87 D C -0.844 175.482 176.300 0.043 0.000 1.236 87 D CA -0.096 53.939 54.000 0.058 0.000 0.898 87 D CB 1.894 42.725 40.800 0.050 0.000 1.401 87 D HN 0.205 nan 8.370 nan 0.000 0.549 88 V N 2.603 122.526 119.914 0.015 0.000 2.530 88 V HA 0.102 4.228 4.120 0.010 0.000 0.282 88 V C 1.191 177.233 176.094 -0.086 0.000 1.048 88 V CA -0.127 62.136 62.300 -0.061 0.000 0.997 88 V CB 1.611 33.420 31.823 -0.024 0.000 0.987 88 V HN 0.449 nan 8.190 nan 0.000 0.477 89 V N 3.032 122.846 119.914 -0.167 0.000 2.672 89 V HA 0.214 4.340 4.120 0.010 0.000 0.242 89 V C 0.201 176.208 176.094 -0.145 0.000 1.059 89 V CA 1.135 63.354 62.300 -0.136 0.000 1.081 89 V CB 0.502 32.224 31.823 -0.168 0.000 0.752 89 V HN 1.038 nan 8.190 nan 0.000 0.472 90 D N -1.502 118.780 120.400 -0.196 0.000 2.812 90 D HA 0.342 4.988 4.640 0.010 0.000 0.210 90 D C -1.320 174.909 176.300 -0.118 0.000 1.260 90 D CA -0.264 53.658 54.000 -0.130 0.000 0.817 90 D CB 1.206 41.938 40.800 -0.114 0.000 1.694 90 D HN 0.082 nan 8.370 nan 0.000 0.530 91 I N 2.133 122.690 120.570 -0.022 0.000 2.339 91 I HA 0.443 4.619 4.170 0.010 0.000 0.290 91 I C -0.287 175.866 176.117 0.061 0.000 0.994 91 I CA -0.522 60.814 61.300 0.061 0.000 1.191 91 I CB 1.839 39.942 38.000 0.173 0.000 1.343 91 I HN 0.159 nan 8.210 nan 0.000 0.458 92 S N 5.269 120.992 115.700 0.038 0.000 2.707 92 S HA 0.439 4.915 4.470 0.010 0.000 0.312 92 S C -0.355 174.282 174.600 0.062 0.000 1.116 92 S CA -0.574 57.651 58.200 0.041 0.000 1.078 92 S CB 1.696 64.901 63.200 0.007 0.000 0.997 92 S HN 0.277 nan 8.310 nan 0.000 0.477 93 V N 3.003 123.002 119.914 0.143 0.000 2.383 93 V HA 0.462 4.588 4.120 0.010 0.000 0.275 93 V C 0.554 176.886 176.094 0.397 0.000 1.036 93 V CA -0.444 61.980 62.300 0.206 0.000 0.889 93 V CB 1.537 33.529 31.823 0.281 0.000 0.985 93 V HN 0.787 nan 8.190 nan 0.000 0.459 94 S N 5.271 121.133 115.700 0.270 0.000 2.616 94 S HA 0.416 4.892 4.470 0.010 0.000 0.277 94 S C -1.437 173.105 174.600 -0.096 0.000 1.234 94 S CA -1.446 56.858 58.200 0.174 0.000 1.028 94 S CB 1.582 64.796 63.200 0.022 0.000 0.988 94 S HN 0.577 nan 8.310 nan 0.000 0.522 95 P HA -0.189 nan 4.420 nan 0.000 0.218 95 P C 0.636 177.627 177.300 -0.515 0.000 1.154 95 P CA 1.569 63.988 63.100 -1.135 0.000 0.872 95 P CB -0.135 31.170 31.700 -0.658 0.000 0.790 96 D N -1.981 118.265 120.400 -0.258 0.000 2.350 96 D HA 0.011 4.657 4.640 0.010 0.000 0.216 96 D C 1.231 177.483 176.300 -0.080 0.000 0.968 96 D CA 1.156 55.073 54.000 -0.138 0.000 0.894 96 D CB -1.090 39.657 40.800 -0.089 0.000 0.909 96 D HN 0.283 nan 8.370 nan 0.000 0.520 97 G N -1.214 107.553 108.800 -0.055 0.000 2.173 97 G HA2 -0.185 3.781 3.960 0.010 0.000 0.174 97 G HA3 -0.185 3.781 3.960 0.010 0.000 0.174 97 G C -0.044 174.837 174.900 -0.031 0.000 1.025 97 G CA -0.035 45.076 45.100 0.018 0.000 0.706 97 G HN 0.418 nan 8.290 nan 0.000 0.499 98 T N 0.650 115.173 114.554 -0.051 0.000 2.767 98 T HA 0.578 4.934 4.350 0.010 0.000 0.284 98 T C 0.557 175.132 174.700 -0.208 0.000 0.973 98 T CA -0.230 61.794 62.100 -0.128 0.000 0.996 98 T CB 1.821 70.644 68.868 -0.076 0.000 0.927 98 T HN 0.571 nan 8.240 nan 0.000 0.456 99 V N 4.682 124.296 119.914 -0.500 0.000 2.612 99 V HA 0.499 4.624 4.120 0.010 0.000 0.301 99 V C -0.036 175.797 176.094 -0.436 0.000 1.046 99 V CA -0.855 61.069 62.300 -0.626 0.000 0.946 99 V CB 1.704 32.736 31.823 -1.318 0.000 1.003 99 V HN 0.704 nan 8.190 nan 0.000 0.459 100 Q N 2.767 122.439 119.800 -0.213 0.000 2.464 100 Q HA 0.350 4.696 4.340 0.010 0.000 0.256 100 Q C -1.536 174.488 176.000 0.040 0.000 1.020 100 Q CA -0.381 55.387 55.803 -0.059 0.000 0.716 100 Q CB 2.210 30.926 28.738 -0.035 0.000 1.230 100 Q HN 0.812 nan 8.270 nan 0.000 0.494 101 Y N 2.538 122.841 120.300 0.004 0.000 2.320 101 Y HA 0.528 5.083 4.550 0.010 0.000 0.324 101 Y C -1.056 174.869 175.900 0.043 0.000 1.190 101 Y CA -0.863 57.285 58.100 0.079 0.000 1.215 101 Y CB 0.929 39.536 38.460 0.245 0.000 1.221 101 Y HN 0.519 nan 8.280 nan 0.000 0.486 102 L N 6.103 126.948 121.223 -0.630 0.000 2.680 102 L HA 0.309 4.655 4.340 0.010 0.000 0.260 102 L C -1.323 175.200 176.870 -0.578 0.000 0.975 102 L CA -0.251 54.305 54.840 -0.474 0.000 0.920 102 L CB 1.134 42.963 42.059 -0.383 0.000 1.234 102 L HN 0.792 nan 8.230 nan 0.000 0.429 103 E N 3.487 123.462 120.200 -0.375 0.000 2.243 103 E HA 0.615 4.971 4.350 0.010 0.000 0.260 103 E C -0.849 175.862 176.600 0.184 0.000 0.985 103 E CA -1.154 55.182 56.400 -0.105 0.000 0.858 103 E CB 1.844 31.579 29.700 0.058 0.000 1.210 103 E HN 0.444 nan 8.360 nan 0.000 0.411 104 R N 1.596 122.240 120.500 0.241 0.000 2.435 104 R HA 0.270 4.615 4.340 0.010 0.000 0.308 104 R C -1.485 174.942 176.300 0.212 0.000 0.975 104 R CA -0.566 55.724 56.100 0.316 0.000 0.867 104 R CB 0.535 31.015 30.300 0.299 0.000 1.171 104 R HN 0.598 nan 8.270 nan 0.000 0.470 105 F N 1.173 121.189 119.950 0.110 0.000 2.509 105 F HA 0.722 5.255 4.527 0.010 0.000 0.334 105 F C -0.545 175.284 175.800 0.048 0.000 1.060 105 F CA -1.063 56.965 58.000 0.046 0.000 0.997 105 F CB 1.666 40.661 39.000 -0.008 0.000 1.271 105 F HN 0.294 nan 8.300 nan 0.000 0.488 106 S N 1.103 116.882 115.700 0.131 0.000 2.776 106 S HA 0.845 5.321 4.470 0.010 0.000 0.284 106 S C -1.096 173.621 174.600 0.195 0.000 1.160 106 S CA -0.259 57.968 58.200 0.045 0.000 1.051 106 S CB 0.630 63.844 63.200 0.024 0.000 1.037 106 S HN 1.345 nan 8.310 nan 0.000 0.485 107 A N 3.107 126.087 122.820 0.267 0.000 2.350 107 A HA 0.915 5.241 4.320 0.010 0.000 0.318 107 A C -0.045 177.510 177.584 -0.048 0.000 1.132 107 A CA -1.261 50.873 52.037 0.160 0.000 0.811 107 A CB 1.229 20.416 19.000 0.312 0.000 1.313 107 A HN 1.054 nan 8.150 nan 0.000 0.454 108 R N 0.936 121.385 120.500 -0.084 0.000 2.265 108 R HA 0.601 4.947 4.340 0.010 0.000 0.328 108 R C -1.603 174.568 176.300 -0.215 0.000 0.969 108 R CA -0.346 55.625 56.100 -0.215 0.000 0.832 108 R CB 0.870 31.084 30.300 -0.143 0.000 1.139 108 R HN 0.344 nan 8.270 nan 0.000 0.457 109 V N 4.942 124.583 119.914 -0.455 0.000 2.716 109 V HA 0.326 4.452 4.120 0.010 0.000 0.304 109 V C 0.151 176.146 176.094 -0.165 0.000 1.053 109 V CA -0.973 61.113 62.300 -0.357 0.000 0.984 109 V CB 1.626 33.056 31.823 -0.655 0.000 1.021 109 V HN 0.743 nan 8.190 nan 0.000 0.467 110 L N 3.451 124.665 121.223 -0.015 0.000 2.337 110 L HA 0.556 4.902 4.340 0.010 0.000 0.269 110 L C -0.132 176.799 176.870 0.102 0.000 1.018 110 L CA 0.211 55.085 54.840 0.057 0.000 0.876 110 L CB 1.211 43.298 42.059 0.048 0.000 1.236 110 L HN 0.769 nan 8.230 nan 0.000 0.436 111 S N 5.925 121.712 115.700 0.144 0.000 2.532 111 S HA 0.663 5.139 4.470 0.010 0.000 0.299 111 S C -2.540 172.101 174.600 0.068 0.000 1.105 111 S CA -1.416 56.853 58.200 0.116 0.000 1.018 111 S CB 1.633 64.900 63.200 0.113 0.000 1.021 111 S HN 0.341 nan 8.310 nan 0.000 0.483 112 P HA 0.244 nan 4.420 nan 0.000 0.269 112 P C -0.993 176.275 177.300 -0.054 0.000 1.217 112 P CA -0.239 62.884 63.100 0.038 0.000 0.783 112 P CB 0.418 32.149 31.700 0.051 0.000 0.898 113 L N 0.373 121.516 121.223 -0.134 0.000 2.309 113 L HA 0.488 4.834 4.340 0.010 0.000 0.261 113 L C 0.070 176.693 176.870 -0.411 0.000 1.021 113 L CA -0.633 53.993 54.840 -0.355 0.000 0.823 113 L CB 1.612 43.320 42.059 -0.585 0.000 1.366 113 L HN 0.191 nan 8.230 nan 0.000 0.423 114 D N -0.002 120.156 120.400 -0.403 0.000 2.477 114 D HA 0.315 4.960 4.640 0.010 0.000 0.239 114 D C -0.205 176.001 176.300 -0.157 0.000 1.102 114 D CA -0.215 53.629 54.000 -0.261 0.000 0.901 114 D CB 0.439 41.104 40.800 -0.226 0.000 1.026 114 D HN 0.263 nan 8.370 nan 0.000 0.515 115 F N 1.620 121.783 119.950 0.355 0.000 2.695 115 F HA 0.219 4.752 4.527 0.010 0.000 0.301 115 F C 2.224 178.280 175.800 0.426 0.000 1.182 115 F CA -0.216 58.030 58.000 0.411 0.000 1.412 115 F CB 0.115 39.350 39.000 0.391 0.000 1.056 115 F HN 0.215 nan 8.300 nan 0.000 0.522 116 R N 0.444 121.136 120.500 0.320 0.000 2.148 116 R HA 0.008 4.354 4.340 0.010 0.000 0.227 116 R C 1.198 177.560 176.300 0.104 0.000 1.103 116 R CA 0.973 57.150 56.100 0.129 0.000 0.983 116 R CB 0.051 30.207 30.300 -0.241 0.000 0.874 116 R HN 0.231 nan 8.270 nan 0.000 0.451 117 R N -0.603 119.952 120.500 0.091 0.000 2.696 117 R HA 0.037 4.382 4.340 0.010 0.000 0.355 117 R C 0.282 176.767 176.300 0.308 0.000 1.138 117 R CA -0.266 55.891 56.100 0.095 0.000 1.059 117 R CB 0.135 30.168 30.300 -0.445 0.000 1.380 117 R HN 0.185 nan 8.270 nan 0.000 0.578 118 Y N 3.371 123.872 120.300 0.335 0.000 2.066 118 Y HA -0.327 4.228 4.550 0.010 0.000 0.235 118 Y C -1.014 174.945 175.900 0.097 0.000 1.262 118 Y CA 2.557 60.838 58.100 0.302 0.000 1.032 118 Y CB -1.071 37.590 38.460 0.335 0.000 0.832 118 Y HN 0.104 nan 8.280 nan 0.000 0.520 119 P HA -0.033 nan 4.420 nan 0.000 0.233 119 P C 0.219 176.845 177.300 -1.124 0.000 1.167 119 P CA 1.471 63.997 63.100 -0.956 0.000 0.770 119 P CB -0.232 31.058 31.700 -0.682 0.000 0.837 120 F N 0.060 119.859 119.950 -0.252 0.000 2.805 120 F HA 0.186 4.719 4.527 0.010 0.000 0.317 120 F C 0.762 176.423 175.800 -0.233 0.000 1.146 120 F CA -1.092 56.718 58.000 -0.317 0.000 1.265 120 F CB -0.113 38.704 39.000 -0.305 0.000 0.992 120 F HN -0.146 nan 8.300 nan 0.000 0.511 121 D N -0.310 120.027 120.400 -0.104 0.000 2.354 121 D HA 0.290 4.936 4.640 0.010 0.000 0.247 121 D C -0.218 176.082 176.300 -0.001 0.000 1.138 121 D CA -0.186 53.778 54.000 -0.060 0.000 0.958 121 D CB 1.769 42.571 40.800 0.004 0.000 1.144 121 D HN -0.094 nan 8.370 nan 0.000 0.458 122 S N -0.041 115.660 115.700 0.002 0.000 2.526 122 S HA 0.396 4.872 4.470 0.010 0.000 0.293 122 S C -0.812 173.795 174.600 0.012 0.000 1.092 122 S CA -0.756 57.472 58.200 0.048 0.000 0.980 122 S CB 1.584 64.781 63.200 -0.005 0.000 1.048 122 S HN 0.375 nan 8.310 nan 0.000 0.483 123 Q N 0.881 120.686 119.800 0.008 0.000 2.458 123 Q HA 0.562 4.908 4.340 0.010 0.000 0.282 123 Q C -0.788 175.094 176.000 -0.196 0.000 1.106 123 Q CA -0.627 55.096 55.803 -0.133 0.000 0.814 123 Q CB 1.954 30.538 28.738 -0.255 0.000 1.425 123 Q HN 0.617 nan 8.270 nan 0.000 0.437 124 T N 0.923 115.325 114.554 -0.254 0.000 3.103 124 T HA 0.497 4.853 4.350 0.010 0.000 0.352 124 T C -0.794 173.596 174.700 -0.517 0.000 1.048 124 T CA -0.347 61.562 62.100 -0.319 0.000 1.175 124 T CB -0.329 68.406 68.868 -0.222 0.000 1.029 124 T HN 0.357 nan 8.240 nan 0.000 0.498 125 L N 4.780 125.675 121.223 -0.546 0.000 2.418 125 L HA 0.564 4.910 4.340 0.010 0.000 0.265 125 L C 0.473 176.987 176.870 -0.594 0.000 1.143 125 L CA -0.871 53.636 54.840 -0.555 0.000 0.809 125 L CB 0.612 42.212 42.059 -0.765 0.000 1.124 125 L HN 0.549 nan 8.230 nan 0.000 0.456 126 H N 3.177 122.157 119.070 -0.149 0.000 2.589 126 H HA 0.521 5.083 4.556 0.010 0.000 0.351 126 H C -0.737 174.418 175.328 -0.287 0.000 1.074 126 H CA -0.503 55.376 56.048 -0.282 0.000 1.203 126 H CB 2.193 31.587 29.762 -0.614 0.000 1.558 126 H HN 0.383 nan 8.280 nan 0.000 0.522 127 I N 2.487 122.994 120.570 -0.104 0.000 2.441 127 I HA 0.099 4.275 4.170 0.010 0.000 0.295 127 I C -0.087 175.926 176.117 -0.174 0.000 0.994 127 I CA -0.614 60.551 61.300 -0.225 0.000 1.144 127 I CB 1.505 39.376 38.000 -0.216 0.000 1.314 127 I HN 0.480 nan 8.210 nan 0.000 0.445 128 Y N 4.078 124.309 120.300 -0.116 0.000 2.472 128 Y HA 0.347 4.903 4.550 0.010 0.000 0.288 128 Y C 0.284 176.226 175.900 0.071 0.000 1.154 128 Y CA -0.323 57.793 58.100 0.027 0.000 1.238 128 Y CB 0.250 38.739 38.460 0.047 0.000 1.287 128 Y HN 0.319 nan 8.280 nan 0.000 0.524 129 L N 0.864 122.230 121.223 0.239 0.000 2.827 129 L HA -0.203 4.143 4.340 0.010 0.000 0.637 129 L C -0.679 176.318 176.870 0.212 0.000 1.007 129 L CA 0.370 55.370 54.840 0.267 0.000 1.336 129 L CB -1.482 40.735 42.059 0.263 0.000 1.826 129 L HN 0.193 nan 8.230 nan 0.000 0.871 130 I N -0.005 120.668 120.570 0.172 0.000 3.100 130 I HA 0.965 5.140 4.170 0.010 0.000 0.312 130 I C -0.085 176.082 176.117 0.082 0.000 1.063 130 I CA -1.266 60.114 61.300 0.132 0.000 1.031 130 I CB 2.212 40.286 38.000 0.123 0.000 1.243 130 I HN 0.177 nan 8.210 nan 0.000 0.483 131 V N 2.170 122.123 119.914 0.065 0.000 2.711 131 V HA 0.477 4.603 4.120 0.010 0.000 0.304 131 V C -0.991 175.119 176.094 0.027 0.000 1.097 131 V CA -0.482 61.830 62.300 0.019 0.000 0.906 131 V CB 1.927 33.749 31.823 -0.001 0.000 1.015 131 V HN 0.889 nan 8.190 nan 0.000 0.427 132 R N 4.211 124.716 120.500 0.008 0.000 2.297 132 R HA 0.674 5.020 4.340 0.010 0.000 0.308 132 R C -0.182 176.134 176.300 0.026 0.000 1.029 132 R CA -0.192 55.918 56.100 0.018 0.000 0.929 132 R CB 1.424 31.725 30.300 0.002 0.000 1.046 132 R HN 0.849 nan 8.270 nan 0.000 0.461 133 S N 1.963 117.682 115.700 0.032 0.000 2.672 133 S HA 0.324 4.800 4.470 0.010 0.000 0.276 133 S C 0.691 175.307 174.600 0.026 0.000 1.207 133 S CA -0.959 57.262 58.200 0.034 0.000 1.002 133 S CB 1.856 65.071 63.200 0.025 0.000 0.998 133 S HN 0.528 nan 8.310 nan 0.000 0.542 134 V N -0.072 119.855 119.914 0.021 0.000 4.535 134 V HA 0.187 4.313 4.120 0.010 0.000 0.173 134 V C 1.396 177.482 176.094 -0.013 0.000 1.036 134 V CA 0.356 62.660 62.300 0.007 0.000 1.412 134 V CB -0.848 30.986 31.823 0.019 0.000 1.991 134 V HN 0.905 nan 8.190 nan 0.000 0.469 135 D N 0.466 120.845 120.400 -0.034 0.000 2.355 135 D HA 0.041 4.687 4.640 0.010 0.000 0.206 135 D C 0.427 176.696 176.300 -0.051 0.000 1.010 135 D CA 0.841 54.814 54.000 -0.044 0.000 0.875 135 D CB 0.481 41.245 40.800 -0.059 0.000 0.966 135 D HN 0.511 nan 8.370 nan 0.000 0.512 136 T N 1.193 115.709 114.554 -0.064 0.000 2.856 136 T HA 0.395 4.751 4.350 0.010 0.000 0.283 136 T C -0.105 174.576 174.700 -0.033 0.000 1.008 136 T CA -0.881 61.182 62.100 -0.061 0.000 0.997 136 T CB 2.477 71.282 68.868 -0.105 0.000 0.992 136 T HN -0.115 nan 8.240 nan 0.000 0.454 137 R N 2.474 122.963 120.500 -0.018 0.000 2.438 137 R HA 0.354 4.700 4.340 0.010 0.000 0.287 137 R C -0.367 175.938 176.300 0.008 0.000 1.077 137 R CA -0.391 55.708 56.100 -0.001 0.000 1.034 137 R CB -0.081 30.219 30.300 -0.000 0.000 0.993 137 R HN 0.595 nan 8.270 nan 0.000 0.459 138 N N 1.696 120.409 118.700 0.023 0.000 2.399 138 N HA 0.481 5.227 4.740 0.010 0.000 0.295 138 N C -0.586 174.941 175.510 0.029 0.000 1.048 138 N CA -0.348 52.723 53.050 0.034 0.000 0.886 138 N CB 1.660 40.174 38.487 0.046 0.000 1.185 138 N HN 0.356 nan 8.380 nan 0.000 0.487 139 I N 1.689 122.279 120.570 0.032 0.000 2.498 139 I HA 0.356 4.532 4.170 0.010 0.000 0.290 139 I C 0.006 176.148 176.117 0.041 0.000 1.032 139 I CA -1.216 60.099 61.300 0.026 0.000 1.073 139 I CB 1.721 39.730 38.000 0.015 0.000 1.251 139 I HN 0.243 nan 8.210 nan 0.000 0.426 140 V N 4.408 124.347 119.914 0.042 0.000 3.295 140 V HA 0.706 4.832 4.120 0.010 0.000 0.308 140 V C -0.369 175.758 176.094 0.056 0.000 1.068 140 V CA -0.536 61.802 62.300 0.064 0.000 1.062 140 V CB 1.932 33.805 31.823 0.083 0.000 1.162 140 V HN 0.721 nan 8.190 nan 0.000 0.456 141 L N 0.208 121.476 121.223 0.075 0.000 2.731 141 L HA 0.673 5.019 4.340 0.010 0.000 0.256 141 L C -0.392 176.520 176.870 0.069 0.000 0.947 141 L CA -0.377 54.493 54.840 0.050 0.000 0.914 141 L CB 1.696 43.777 42.059 0.036 0.000 1.470 141 L HN 1.143 nan 8.230 nan 0.000 0.421 142 A N 2.709 125.542 122.820 0.023 0.000 2.366 142 A HA 0.650 4.975 4.320 0.010 0.000 0.272 142 A C -0.800 176.813 177.584 0.048 0.000 1.135 142 A CA -0.256 51.800 52.037 0.031 0.000 0.804 142 A CB 0.827 19.767 19.000 -0.100 0.000 1.064 142 A HN 0.371 nan 8.150 nan 0.000 0.499 143 V N 3.368 123.336 119.914 0.090 0.000 2.357 143 V HA 0.154 4.279 4.120 0.010 0.000 0.284 143 V C -0.021 176.124 176.094 0.085 0.000 1.018 143 V CA -0.129 62.219 62.300 0.080 0.000 0.841 143 V CB 1.285 33.165 31.823 0.096 0.000 0.991 143 V HN 1.018 nan 8.190 nan 0.000 0.437 144 D N 3.437 123.872 120.400 0.058 0.000 2.363 144 D HA -0.008 4.638 4.640 0.010 0.000 0.220 144 D C 1.587 177.938 176.300 0.083 0.000 0.994 144 D CA 0.565 54.599 54.000 0.058 0.000 0.890 144 D CB 0.216 41.031 40.800 0.025 0.000 0.906 144 D HN 0.478 nan 8.370 nan 0.000 0.530 145 L N 0.002 121.277 121.223 0.087 0.000 2.492 145 L HA 0.092 4.438 4.340 0.010 0.000 0.223 145 L C 1.596 178.544 176.870 0.130 0.000 1.132 145 L CA 0.908 55.806 54.840 0.096 0.000 0.850 145 L CB 0.183 42.284 42.059 0.070 0.000 0.966 145 L HN -0.164 nan 8.230 nan 0.000 0.454 146 E N -0.497 119.791 120.200 0.147 0.000 2.481 146 E HA 0.004 4.360 4.350 0.010 0.000 0.198 146 E C 1.635 178.395 176.600 0.268 0.000 1.027 146 E CA 0.058 56.570 56.400 0.188 0.000 0.900 146 E CB 0.313 30.109 29.700 0.160 0.000 0.993 146 E HN 0.046 nan 8.360 nan 0.000 0.482 147 K N 0.559 121.102 120.400 0.238 0.000 2.402 147 K HA 0.037 4.363 4.320 0.010 0.000 0.204 147 K C 1.009 177.728 176.600 0.199 0.000 1.056 147 K CA 0.543 56.977 56.287 0.246 0.000 1.069 147 K CB 0.454 33.078 32.500 0.207 0.000 0.888 147 K HN 0.100 nan 8.250 nan 0.000 0.546 148 V N 0.038 120.079 119.914 0.211 0.000 3.467 148 V HA 0.087 4.213 4.120 0.010 0.000 0.275 148 V C 0.936 177.140 176.094 0.183 0.000 1.230 148 V CA 0.521 62.931 62.300 0.184 0.000 1.196 148 V CB -2.038 29.902 31.823 0.195 0.000 0.884 148 V HN 0.213 nan 8.190 nan 0.000 0.548 149 G N 1.233 110.183 108.800 0.250 0.000 2.151 149 G HA2 0.232 4.198 3.960 0.010 0.000 0.269 149 G HA3 0.232 4.198 3.960 0.010 0.000 0.269 149 G C -0.037 174.782 174.900 -0.135 0.000 1.069 149 G CA 0.375 45.491 45.100 0.028 0.000 1.080 149 G HN 0.817 nan 8.290 nan 0.000 0.405 150 K N 2.469 122.424 120.400 -0.743 0.000 2.479 150 K HA -0.036 4.290 4.320 0.010 0.000 0.320 150 K C -0.705 175.612 176.600 -0.472 0.000 1.255 150 K CA -0.653 55.370 56.287 -0.439 0.000 1.151 150 K CB 0.228 32.654 32.500 -0.122 0.000 1.421 150 K HN 0.622 nan 8.250 nan 0.000 0.448 151 N N 1.879 120.354 118.700 -0.374 0.000 2.415 151 N HA 0.017 4.763 4.740 0.010 0.000 0.248 151 N C -0.303 175.175 175.510 -0.054 0.000 1.271 151 N CA -0.181 52.814 53.050 -0.092 0.000 0.913 151 N CB 0.587 39.066 38.487 -0.014 0.000 1.129 151 N HN 0.411 nan 8.380 nan 0.000 0.444 152 D N 1.084 121.482 120.400 -0.004 0.000 2.519 152 D HA 0.077 4.723 4.640 0.010 0.000 0.238 152 D C -0.579 175.699 176.300 -0.036 0.000 1.192 152 D CA 0.591 54.582 54.000 -0.015 0.000 0.835 152 D CB 0.070 40.872 40.800 0.003 0.000 0.975 152 D HN 0.429 nan 8.370 nan 0.000 0.490 153 D N -0.644 119.728 120.400 -0.046 0.000 2.497 153 D HA 0.008 4.654 4.640 0.010 0.000 0.256 153 D C 0.307 176.570 176.300 -0.062 0.000 1.273 153 D CA -0.004 53.953 54.000 -0.071 0.000 0.812 153 D CB 1.360 42.125 40.800 -0.059 0.000 1.190 153 D HN -0.015 nan 8.370 nan 0.000 0.524 154 V N 0.950 120.841 119.914 -0.038 0.000 2.509 154 V HA 0.071 4.197 4.120 0.010 0.000 0.297 154 V C 1.387 177.534 176.094 0.088 0.000 1.014 154 V CA 0.041 62.345 62.300 0.006 0.000 1.127 154 V CB -0.175 31.620 31.823 -0.046 0.000 0.925 154 V HN -0.021 nan 8.190 nan 0.000 0.480 155 F N 3.700 123.651 119.950 0.002 0.000 2.150 155 F HA 0.334 4.867 4.527 0.010 0.000 0.273 155 F C 1.173 177.000 175.800 0.044 0.000 1.223 155 F CA 0.163 58.178 58.000 0.026 0.000 1.090 155 F CB 0.244 39.270 39.000 0.043 0.000 1.013 155 F HN 0.538 nan 8.300 nan 0.000 0.515 156 L N 2.212 123.612 121.223 0.295 0.000 3.386 156 L HA -0.154 4.192 4.340 0.010 0.000 0.686 156 L C -0.298 176.668 176.870 0.159 0.000 1.220 156 L CA 0.545 55.460 54.840 0.124 0.000 1.165 156 L CB -2.126 39.979 42.059 0.078 0.000 1.730 156 L HN 0.521 nan 8.230 nan 0.000 0.889 157 T N -0.092 114.389 114.554 -0.121 0.000 2.905 157 T HA 0.437 4.793 4.350 0.010 0.000 0.299 157 T C 1.620 176.414 174.700 0.156 0.000 1.024 157 T CA 0.360 62.414 62.100 -0.078 0.000 1.151 157 T CB 1.031 69.740 68.868 -0.264 0.000 0.987 157 T HN 2.113 nan 8.240 nan 0.000 0.535 158 G N 1.519 110.378 108.800 0.099 0.000 2.195 158 G HA2 -0.196 3.770 3.960 0.010 0.000 0.246 158 G HA3 -0.196 3.770 3.960 0.010 0.000 0.246 158 G C -0.306 174.402 174.900 -0.320 0.000 0.984 158 G CA -0.207 44.847 45.100 -0.076 0.000 0.633 158 G HN 0.798 nan 8.290 nan 0.000 0.525 159 W N 0.865 122.155 121.300 -0.017 0.000 2.844 159 W HA 0.671 5.337 4.660 0.010 0.000 0.340 159 W C -0.714 175.789 176.519 -0.027 0.000 1.093 159 W CA -0.996 56.325 57.345 -0.040 0.000 1.212 159 W CB 1.150 30.572 29.460 -0.063 0.000 1.422 159 W HN -0.102 nan 8.180 nan 0.000 0.515 160 D N 2.363 122.870 120.400 0.180 0.000 2.249 160 D HA 0.339 4.984 4.640 0.010 0.000 0.246 160 D C -0.159 176.205 176.300 0.107 0.000 1.114 160 D CA -0.164 53.897 54.000 0.101 0.000 0.854 160 D CB 1.366 42.187 40.800 0.035 0.000 1.132 160 D HN 0.164 nan 8.370 nan 0.000 0.461 161 I N 2.187 122.794 120.570 0.062 0.000 2.325 161 I HA 0.060 4.236 4.170 0.010 0.000 0.291 161 I C 1.293 177.415 176.117 0.008 0.000 1.019 161 I CA -0.187 61.123 61.300 0.016 0.000 1.302 161 I CB 1.381 39.373 38.000 -0.013 0.000 1.401 161 I HN 0.293 nan 8.210 nan 0.000 0.485 162 E N 3.268 123.469 120.200 0.001 0.000 2.201 162 E HA 0.047 4.403 4.350 0.010 0.000 0.193 162 E C -0.382 176.224 176.600 0.008 0.000 0.957 162 E CA 0.388 56.791 56.400 0.005 0.000 0.858 162 E CB 0.530 30.231 29.700 0.002 0.000 0.816 162 E HN 0.732 nan 8.360 nan 0.000 0.475 163 S N -1.151 114.559 115.700 0.017 0.000 2.674 163 S HA 0.166 4.642 4.470 0.010 0.000 0.321 163 S C -1.235 173.438 174.600 0.121 0.000 0.934 163 S CA -0.898 57.331 58.200 0.049 0.000 0.827 163 S CB -0.774 62.439 63.200 0.022 0.000 1.041 163 S HN 0.150 nan 8.310 nan 0.000 0.470 164 F N 3.850 123.775 119.950 -0.042 0.000 2.404 164 F HA 0.697 5.229 4.527 0.010 0.000 0.354 164 F C 0.494 176.303 175.800 0.015 0.000 1.122 164 F CA 0.482 58.470 58.000 -0.020 0.000 1.080 164 F CB 1.277 40.266 39.000 -0.018 0.000 1.131 164 F HN 1.088 nan 8.300 nan 0.000 0.471 165 T N 3.011 117.385 114.554 -0.299 0.000 2.731 165 T HA 0.835 5.191 4.350 0.010 0.000 0.300 165 T C -1.513 172.924 174.700 -0.437 0.000 1.283 165 T CA -0.726 61.169 62.100 -0.341 0.000 1.005 165 T CB 1.507 70.281 68.868 -0.158 0.000 1.420 165 T HN 0.853 nan 8.240 nan 0.000 0.503 166 A N 0.724 123.292 122.820 -0.421 0.000 2.435 166 A HA 0.740 5.066 4.320 0.010 0.000 0.304 166 A C -0.649 176.741 177.584 -0.323 0.000 1.064 166 A CA -0.781 50.915 52.037 -0.568 0.000 0.727 166 A CB 1.846 20.211 19.000 -1.058 0.000 1.284 166 A HN 1.040 nan 8.150 nan 0.000 0.415 167 V N 3.721 123.485 119.914 -0.250 0.000 2.405 167 V HA 0.139 4.265 4.120 0.010 0.000 0.264 167 V C 1.766 177.770 176.094 -0.150 0.000 1.048 167 V CA 0.377 62.590 62.300 -0.145 0.000 0.966 167 V CB 0.489 32.264 31.823 -0.081 0.000 1.015 167 V HN 1.007 nan 8.190 nan 0.000 0.477 168 V N 2.723 122.564 119.914 -0.122 0.000 2.287 168 V HA -0.102 4.024 4.120 0.010 0.000 0.248 168 V C 1.177 177.225 176.094 -0.077 0.000 1.053 168 V CA 1.142 63.382 62.300 -0.099 0.000 1.027 168 V CB -0.633 31.148 31.823 -0.070 0.000 0.646 168 V HN 0.667 nan 8.190 nan 0.000 0.447 169 K N 2.580 122.938 120.400 -0.070 0.000 2.368 169 K HA 0.383 4.709 4.320 0.010 0.000 0.282 169 K C -2.287 174.266 176.600 -0.078 0.000 1.035 169 K CA -1.565 54.682 56.287 -0.066 0.000 0.973 169 K CB 0.782 33.244 32.500 -0.063 0.000 0.957 169 K HN 0.431 nan 8.250 nan 0.000 0.474 170 P HA 0.291 nan 4.420 nan 0.000 0.283 170 P C -1.292 175.915 177.300 -0.155 0.000 1.278 170 P CA -0.808 62.236 63.100 -0.093 0.000 0.834 170 P CB 1.055 32.719 31.700 -0.061 0.000 1.150 171 A N 1.677 124.354 122.820 -0.238 0.000 2.258 171 A HA 0.440 4.766 4.320 0.010 0.000 0.316 171 A C -0.385 176.837 177.584 -0.602 0.000 1.279 171 A CA -0.480 51.302 52.037 -0.425 0.000 0.876 171 A CB -0.515 18.169 19.000 -0.527 0.000 1.170 171 A HN 0.406 nan 8.150 nan 0.000 0.520 172 N N 2.763 121.186 118.700 -0.461 0.000 2.955 172 N HA 0.428 5.173 4.740 0.010 0.000 0.242 172 N C -0.811 174.524 175.510 -0.291 0.000 1.123 172 N CA -0.130 52.723 53.050 -0.328 0.000 0.949 172 N CB -0.010 38.390 38.487 -0.144 0.000 1.214 172 N HN 0.519 nan 8.380 nan 0.000 0.504 173 F N 0.388 120.314 119.950 -0.041 0.000 2.435 173 F HA 0.532 5.065 4.527 0.010 0.000 0.316 173 F C 1.204 176.986 175.800 -0.029 0.000 1.220 173 F CA -1.427 56.550 58.000 -0.038 0.000 1.241 173 F CB 0.341 39.315 39.000 -0.044 0.000 1.234 173 F HN 0.151 nan 8.300 nan 0.000 0.569 174 A N 1.880 124.828 122.820 0.214 0.000 2.271 174 A HA 0.688 5.014 4.320 0.010 0.000 0.317 174 A C -1.471 176.165 177.584 0.085 0.000 1.245 174 A CA -0.550 51.558 52.037 0.118 0.000 0.857 174 A CB 0.765 19.802 19.000 0.062 0.000 1.175 174 A HN 0.722 nan 8.150 nan 0.000 0.512 175 L N 1.958 123.203 121.223 0.037 0.000 2.427 175 L HA 0.508 4.854 4.340 0.010 0.000 0.264 175 L C -0.175 176.675 176.870 -0.034 0.000 0.989 175 L CA 0.298 55.114 54.840 -0.040 0.000 0.865 175 L CB 0.321 42.289 42.059 -0.152 0.000 1.209 175 L HN 0.907 nan 8.230 nan 0.000 0.430 176 E N 3.442 123.625 120.200 -0.028 0.000 2.326 176 E HA -0.227 4.129 4.350 0.010 0.000 0.195 176 E C -0.431 176.162 176.600 -0.012 0.000 1.367 176 E CA 0.813 57.199 56.400 -0.023 0.000 0.666 176 E CB -0.826 28.855 29.700 -0.032 0.000 1.147 176 E HN 0.976 nan 8.360 nan 0.000 0.384 177 D N -0.431 119.966 120.400 -0.005 0.000 2.782 177 D HA -0.236 4.410 4.640 0.010 0.000 0.231 177 D C -0.008 176.292 176.300 0.001 0.000 1.163 177 D CA 1.837 55.836 54.000 -0.002 0.000 0.680 177 D CB -0.268 40.530 40.800 -0.005 0.000 1.062 177 D HN 0.390 nan 8.370 nan 0.000 0.425 178 R N -0.627 119.877 120.500 0.006 0.000 2.604 178 R HA 0.385 4.731 4.340 0.010 0.000 0.261 178 R C -1.459 174.857 176.300 0.027 0.000 1.080 178 R CA -1.046 55.061 56.100 0.012 0.000 0.917 178 R CB 1.182 31.487 30.300 0.008 0.000 1.252 178 R HN 0.055 nan 8.270 nan 0.000 0.456 179 L N 1.298 122.542 121.223 0.034 0.000 2.326 179 L HA 0.517 4.863 4.340 0.010 0.000 0.278 179 L C -0.551 176.365 176.870 0.077 0.000 1.092 179 L CA 0.379 55.254 54.840 0.058 0.000 0.810 179 L CB 0.900 42.984 42.059 0.041 0.000 1.153 179 L HN 0.607 nan 8.230 nan 0.000 0.439 180 E N 2.118 122.405 120.200 0.145 0.000 2.320 180 E HA 0.589 4.945 4.350 0.010 0.000 0.264 180 E C -1.214 175.494 176.600 0.180 0.000 0.923 180 E CA -0.959 55.544 56.400 0.170 0.000 0.796 180 E CB 1.994 31.811 29.700 0.194 0.000 1.262 180 E HN 0.674 nan 8.360 nan 0.000 0.428 181 S N 0.882 116.660 115.700 0.129 0.000 2.594 181 S HA 0.344 4.820 4.470 0.010 0.000 0.296 181 S C -1.267 173.379 174.600 0.076 0.000 1.124 181 S CA -0.735 57.490 58.200 0.042 0.000 1.011 181 S CB 0.823 64.035 63.200 0.021 0.000 1.016 181 S HN 0.422 nan 8.310 nan 0.000 0.485 182 K N 5.044 125.447 120.400 0.005 0.000 2.371 182 K HA 0.599 4.925 4.320 0.010 0.000 0.251 182 K C -1.554 175.054 176.600 0.013 0.000 0.934 182 K CA -0.731 55.589 56.287 0.054 0.000 0.798 182 K CB 1.153 33.708 32.500 0.091 0.000 1.204 182 K HN 0.632 nan 8.250 nan 0.000 0.427 183 L N 2.012 123.299 121.223 0.106 0.000 2.333 183 L HA 0.368 4.714 4.340 0.010 0.000 0.269 183 L C -0.842 176.157 176.870 0.216 0.000 1.010 183 L CA -0.911 53.992 54.840 0.104 0.000 0.818 183 L CB 2.014 44.157 42.059 0.139 0.000 1.306 183 L HN 0.713 nan 8.230 nan 0.000 0.430 184 D N 1.310 121.768 120.400 0.096 0.000 2.381 184 D HA 0.260 4.906 4.640 0.010 0.000 0.235 184 D C -1.379 174.902 176.300 -0.031 0.000 1.068 184 D CA -0.126 54.005 54.000 0.218 0.000 0.832 184 D CB 0.743 41.671 40.800 0.214 0.000 1.101 184 D HN 0.110 nan 8.370 nan 0.000 0.515 185 Y N 2.014 122.357 120.300 0.071 0.000 2.335 185 Y HA 0.323 4.879 4.550 0.010 0.000 0.339 185 Y C 0.436 176.360 175.900 0.040 0.000 0.987 185 Y CA -0.515 57.574 58.100 -0.019 0.000 1.140 185 Y CB 1.439 39.916 38.460 0.027 0.000 1.173 185 Y HN 0.126 nan 8.280 nan 0.000 0.486 186 Q N 3.482 123.324 119.800 0.069 0.000 2.322 186 Q HA 0.438 4.784 4.340 0.010 0.000 0.265 186 Q C -1.482 174.613 176.000 0.158 0.000 0.985 186 Q CA -1.076 54.728 55.803 0.002 0.000 0.849 186 Q CB 2.291 30.986 28.738 -0.072 0.000 1.274 186 Q HN 0.447 nan 8.270 nan 0.000 0.449 187 L N 3.388 124.639 121.223 0.048 0.000 2.276 187 L HA 0.367 4.713 4.340 0.010 0.000 0.286 187 L C -0.919 175.848 176.870 -0.171 0.000 1.024 187 L CA -0.185 54.657 54.840 0.004 0.000 0.826 187 L CB 0.845 42.781 42.059 -0.206 0.000 1.211 187 L HN 0.475 nan 8.230 nan 0.000 0.422 188 R N 6.583 127.025 120.500 -0.097 0.000 2.229 188 R HA 0.574 4.920 4.340 0.010 0.000 0.328 188 R C -0.699 175.542 176.300 -0.097 0.000 1.009 188 R CA -0.376 55.656 56.100 -0.113 0.000 0.864 188 R CB 0.884 31.146 30.300 -0.063 0.000 1.085 188 R HN 0.802 nan 8.270 nan 0.000 0.453 189 I N -0.926 119.577 120.570 -0.112 0.000 2.828 189 I HA 0.557 4.733 4.170 0.010 0.000 0.302 189 I C -0.216 175.985 176.117 0.140 0.000 1.101 189 I CA -0.885 60.411 61.300 -0.006 0.000 1.031 189 I CB 2.517 40.454 38.000 -0.104 0.000 1.231 189 I HN 0.403 nan 8.210 nan 0.000 0.427 190 S N 3.241 119.074 115.700 0.223 0.000 2.532 190 S HA 0.644 5.119 4.470 0.010 0.000 0.301 190 S C -0.395 174.324 174.600 0.198 0.000 1.083 190 S CA -0.915 57.414 58.200 0.215 0.000 1.025 190 S CB 1.987 65.244 63.200 0.095 0.000 1.056 190 S HN 0.907 nan 8.310 nan 0.000 0.494 191 R N 0.790 121.212 120.500 -0.130 0.000 2.641 191 R HA 0.193 4.539 4.340 0.010 0.000 0.269 191 R C -0.337 175.705 176.300 -0.429 0.000 1.074 191 R CA -0.030 55.603 56.100 -0.778 0.000 1.133 191 R CB 0.333 29.984 30.300 -1.081 0.000 1.029 191 R HN 0.780 nan 8.270 nan 0.000 0.488 192 Q N 3.885 123.365 119.800 -0.534 0.000 2.566 192 Q HA 0.107 4.453 4.340 0.010 0.000 0.221 192 Q C -1.242 174.508 176.000 -0.416 0.000 1.195 192 Q CA -0.413 55.165 55.803 -0.376 0.000 0.967 192 Q CB 0.448 29.027 28.738 -0.265 0.000 1.337 192 Q HN 0.505 nan 8.270 nan 0.000 0.553 193 Y N 0.200 120.248 120.300 -0.421 0.000 2.309 193 Y HA 0.460 5.016 4.550 0.010 0.000 0.327 193 Y C 0.087 175.978 175.900 -0.015 0.000 1.172 193 Y CA -0.609 57.194 58.100 -0.495 0.000 1.280 193 Y CB 0.511 38.554 38.460 -0.695 0.000 1.234 193 Y HN 0.569 nan 8.280 nan 0.000 0.512 194 F N 0.516 120.440 119.950 -0.043 0.000 1.799 194 F HA -0.154 4.379 4.527 0.010 0.000 0.248 194 F C 1.755 177.619 175.800 0.106 0.000 1.276 194 F CA 1.061 59.058 58.000 -0.005 0.000 1.213 194 F CB -0.912 38.013 39.000 -0.125 0.000 2.099 194 F HN 0.402 nan 8.300 nan 0.000 0.103 195 S N 0.868 116.745 115.700 0.296 0.000 2.461 195 S HA -0.227 4.249 4.470 0.010 0.000 0.246 195 S C 1.531 176.207 174.600 0.127 0.000 1.007 195 S CA 1.761 60.060 58.200 0.165 0.000 0.976 195 S CB -1.039 62.322 63.200 0.269 0.000 0.763 195 S HN 0.570 nan 8.310 nan 0.000 0.508 196 Y N 1.272 121.534 120.300 -0.063 0.000 2.439 196 Y HA 0.197 4.753 4.550 0.010 0.000 0.292 196 Y C 2.006 177.869 175.900 -0.061 0.000 1.130 196 Y CA -0.360 57.707 58.100 -0.055 0.000 1.254 196 Y CB -0.552 37.856 38.460 -0.085 0.000 1.000 196 Y HN 0.302 nan 8.280 nan 0.000 0.554 197 I N -0.011 120.575 120.570 0.026 0.000 2.260 197 I HA -0.125 4.050 4.170 0.010 0.000 0.237 197 I C -0.573 175.465 176.117 -0.131 0.000 1.075 197 I CA 0.590 61.861 61.300 -0.049 0.000 1.376 197 I CB -1.329 36.623 38.000 -0.081 0.000 1.107 197 I HN -0.023 nan 8.210 nan 0.000 0.420 198 P HA -0.074 nan 4.420 nan 0.000 0.225 198 P C 0.763 178.009 177.300 -0.089 0.000 1.148 198 P CA 1.364 64.369 63.100 -0.158 0.000 0.779 198 P CB -0.035 31.555 31.700 -0.183 0.000 0.780 199 N N -2.057 116.599 118.700 -0.074 0.000 2.407 199 N HA 0.112 4.858 4.740 0.010 0.000 0.182 199 N C 0.942 176.470 175.510 0.030 0.000 1.079 199 N CA 0.517 53.544 53.050 -0.038 0.000 0.882 199 N CB 0.619 39.058 38.487 -0.081 0.000 1.106 199 N HN 0.077 nan 8.380 nan 0.000 0.461 200 I N 0.503 121.086 120.570 0.021 0.000 3.746 200 I HA 0.097 4.273 4.170 0.010 0.000 0.262 200 I C 2.014 178.150 176.117 0.031 0.000 1.153 200 I CA 0.108 61.479 61.300 0.118 0.000 1.395 200 I CB -0.667 37.344 38.000 0.020 0.000 1.589 200 I HN -0.170 nan 8.210 nan 0.000 0.441 201 I N 1.672 122.240 120.570 -0.005 0.000 2.076 201 I HA -0.256 3.920 4.170 0.010 0.000 0.237 201 I C 2.742 178.744 176.117 -0.191 0.000 1.059 201 I CA 1.709 62.987 61.300 -0.038 0.000 1.317 201 I CB -1.159 36.872 38.000 0.051 0.000 1.037 201 I HN 0.153 nan 8.210 nan 0.000 0.398 202 L N 0.488 121.549 121.223 -0.269 0.000 1.970 202 L HA -0.187 4.159 4.340 0.010 0.000 0.212 202 L C 0.024 176.438 176.870 -0.759 0.000 1.071 202 L CA 2.003 56.498 54.840 -0.574 0.000 0.751 202 L CB -2.360 39.305 42.059 -0.658 0.000 0.889 202 L HN 0.153 nan 8.230 nan 0.000 0.432 203 P HA -0.213 nan 4.420 nan 0.000 0.217 203 P C 1.890 178.821 177.300 -0.616 0.000 1.148 203 P CA 1.629 64.480 63.100 -0.414 0.000 0.828 203 P CB -0.031 31.599 31.700 -0.116 0.000 0.783 204 M N -1.945 117.275 119.600 -0.633 0.000 2.296 204 M HA -0.104 4.382 4.480 0.010 0.000 0.265 204 M C 1.756 177.779 176.300 -0.461 0.000 1.064 204 M CA 1.518 56.456 55.300 -0.603 0.000 1.109 204 M CB -0.431 31.942 32.600 -0.379 0.000 1.396 204 M HN -0.031 nan 8.290 nan 0.000 0.430 205 L N -1.496 119.427 121.223 -0.501 0.000 2.071 205 L HA -0.093 4.252 4.340 0.010 0.000 0.201 205 L C 2.197 178.568 176.870 -0.831 0.000 1.076 205 L CA 1.020 55.423 54.840 -0.729 0.000 0.755 205 L CB -0.912 40.778 42.059 -0.615 0.000 0.915 205 L HN 0.198 nan 8.230 nan 0.000 0.445 206 F N 1.176 120.772 119.950 -0.590 0.000 2.053 206 F HA -0.385 4.148 4.527 0.010 0.000 0.295 206 F C 2.563 178.146 175.800 -0.361 0.000 1.102 206 F CA 1.804 59.590 58.000 -0.356 0.000 1.225 206 F CB -0.517 38.372 39.000 -0.184 0.000 0.961 206 F HN 0.186 nan 8.300 nan 0.000 0.495 207 I N -1.001 119.477 120.570 -0.153 0.000 2.756 207 I HA -0.162 4.014 4.170 0.010 0.000 0.262 207 I C 1.999 177.960 176.117 -0.260 0.000 1.225 207 I CA 1.044 62.247 61.300 -0.162 0.000 1.472 207 I CB -0.331 37.587 38.000 -0.138 0.000 1.094 207 I HN 0.170 nan 8.210 nan 0.000 0.454 208 L N 0.045 120.982 121.223 -0.476 0.000 2.162 208 L HA 0.072 4.418 4.340 0.010 0.000 0.205 208 L C 2.036 178.300 176.870 -1.011 0.000 1.086 208 L CA 1.549 55.929 54.840 -0.768 0.000 0.778 208 L CB -0.534 40.976 42.059 -0.915 0.000 0.928 208 L HN 0.081 nan 8.230 nan 0.000 0.446 209 F N 0.332 119.859 119.950 -0.704 0.000 2.039 209 F HA -0.141 4.391 4.527 0.009 0.000 0.294 209 F C 2.458 178.034 175.800 -0.374 0.000 1.130 209 F CA 1.251 58.912 58.000 -0.565 0.000 1.189 209 F CB -1.357 37.558 39.000 -0.143 0.000 0.983 209 F HN -0.038 nan 8.300 nan 0.000 0.471 210 I N 0.155 120.697 120.570 -0.046 0.000 2.130 210 I HA -0.488 3.688 4.170 0.010 0.000 0.241 210 I C 2.747 178.787 176.117 -0.130 0.000 1.023 210 I CA 2.112 63.365 61.300 -0.079 0.000 1.293 210 I CB -0.964 36.988 38.000 -0.080 0.000 1.001 210 I HN 0.286 nan 8.210 nan 0.000 0.407 211 S N 1.115 116.662 115.700 -0.254 0.000 2.389 211 S HA -0.237 4.239 4.470 0.010 0.000 0.231 211 S C 1.320 175.791 174.600 -0.216 0.000 1.052 211 S CA 2.158 60.181 58.200 -0.295 0.000 1.053 211 S CB -0.527 62.301 63.200 -0.620 0.000 0.886 211 S HN 0.629 nan 8.310 nan 0.000 0.456 212 W N 0.622 121.733 121.300 -0.315 0.000 3.015 212 W HA 0.598 5.263 4.660 0.008 0.000 0.429 212 W C 1.214 177.491 176.519 -0.404 0.000 0.976 212 W CA -0.503 56.481 57.345 -0.602 0.000 2.086 212 W CB -1.500 27.590 29.460 -0.616 0.000 1.125 212 W HN 0.012 nan 8.180 nan 0.000 0.721 213 T N 1.332 115.957 114.554 0.120 0.000 3.051 213 T HA 0.038 4.394 4.350 0.010 0.000 0.269 213 T C 1.655 176.478 174.700 0.204 0.000 1.127 213 T CA 1.655 63.829 62.100 0.122 0.000 1.107 213 T CB -0.144 68.730 68.868 0.009 0.000 0.898 213 T HN 0.299 nan 8.240 nan 0.000 0.517 214 A N -0.417 122.431 122.820 0.046 0.000 2.412 214 A HA 0.384 4.709 4.320 0.010 0.000 0.253 214 A C 1.155 178.878 177.584 0.232 0.000 1.334 214 A CA -0.164 51.929 52.037 0.094 0.000 0.929 214 A CB -0.858 18.154 19.000 0.021 0.000 0.983 214 A HN 0.666 nan 8.150 nan 0.000 0.508 215 F N -2.392 117.697 119.950 0.231 0.000 2.731 215 F HA 0.087 4.619 4.527 0.008 0.000 0.298 215 F C 1.008 176.646 175.800 -0.271 0.000 1.106 215 F CA -0.428 57.496 58.000 -0.126 0.000 1.329 215 F CB 0.381 39.132 39.000 -0.414 0.000 1.100 215 F HN 0.511 nan 8.300 nan 0.000 0.592 216 W N 0.826 122.200 121.300 0.123 0.000 2.862 216 W HA 0.324 4.989 4.660 0.008 0.000 0.426 216 W C 0.261 176.805 176.519 0.042 0.000 0.950 216 W CA 0.001 57.380 57.345 0.056 0.000 2.150 216 W CB 0.524 30.005 29.460 0.034 0.000 1.161 216 W HN -0.234 nan 8.180 nan 0.000 0.696 217 S N -0.509 115.318 115.700 0.212 0.000 2.569 217 S HA 0.499 4.974 4.470 0.010 0.000 0.280 217 S C 0.578 175.241 174.600 0.104 0.000 1.111 217 S CA -0.206 58.080 58.200 0.143 0.000 0.887 217 S CB 1.779 65.058 63.200 0.133 0.000 1.095 217 S HN -0.002 nan 8.310 nan 0.000 0.476 218 T N 0.628 115.234 114.554 0.088 0.000 2.959 218 T HA 0.147 4.503 4.350 0.010 0.000 0.254 218 T C 0.510 175.275 174.700 0.108 0.000 1.003 218 T CA 0.142 62.294 62.100 0.086 0.000 0.950 218 T CB -0.012 68.894 68.868 0.064 0.000 1.090 218 T HN 0.693 nan 8.240 nan 0.000 0.503 219 S N 2.478 118.233 115.700 0.092 0.000 2.701 219 S HA 0.235 4.711 4.470 0.010 0.000 0.317 219 S C 0.914 175.568 174.600 0.091 0.000 1.149 219 S CA -0.771 57.484 58.200 0.092 0.000 1.052 219 S CB -0.229 63.009 63.200 0.063 0.000 1.257 219 S HN 0.260 nan 8.310 nan 0.000 0.532 220 Y N 3.233 123.492 120.300 -0.068 0.000 2.100 220 Y HA -0.373 4.181 4.550 0.006 0.000 0.267 220 Y C 2.029 177.876 175.900 -0.089 0.000 1.250 220 Y CA 2.566 60.569 58.100 -0.162 0.000 1.105 220 Y CB -0.452 37.735 38.460 -0.455 0.000 0.924 220 Y HN 0.758 nan 8.280 nan 0.000 0.508 221 E N -0.896 119.291 120.200 -0.021 0.000 2.058 221 E HA -0.236 4.119 4.350 0.010 0.000 0.194 221 E C 2.215 178.767 176.600 -0.080 0.000 0.997 221 E CA 1.279 57.639 56.400 -0.068 0.000 0.801 221 E CB -0.457 29.247 29.700 0.006 0.000 0.746 221 E HN 0.539 nan 8.360 nan 0.000 0.450 222 A N 0.825 123.625 122.820 -0.034 0.000 2.208 222 A HA -0.029 4.297 4.320 0.010 0.000 0.209 222 A C 1.513 179.076 177.584 -0.034 0.000 1.161 222 A CA 0.553 52.576 52.037 -0.024 0.000 0.782 222 A CB -0.044 18.959 19.000 0.005 0.000 0.816 222 A HN 0.070 nan 8.150 nan 0.000 0.477 223 N N -0.515 118.148 118.700 -0.063 0.000 2.409 223 N HA -0.035 4.711 4.740 0.010 0.000 0.174 223 N C 1.724 177.158 175.510 -0.127 0.000 1.037 223 N CA 1.463 54.479 53.050 -0.058 0.000 0.898 223 N CB 0.180 38.666 38.487 -0.002 0.000 1.010 223 N HN 0.420 nan 8.380 nan 0.000 0.445 224 V N -2.665 117.099 119.914 -0.249 0.000 2.599 224 V HA 0.053 4.178 4.120 0.010 0.000 0.245 224 V C 1.911 177.934 176.094 -0.119 0.000 1.046 224 V CA 1.357 63.513 62.300 -0.241 0.000 1.065 224 V CB -1.030 30.547 31.823 -0.410 0.000 0.703 224 V HN 0.010 nan 8.190 nan 0.000 0.464 225 T N 1.320 115.812 114.554 -0.103 0.000 2.803 225 T HA -0.048 4.308 4.350 0.010 0.000 0.269 225 T C 1.796 176.478 174.700 -0.030 0.000 1.052 225 T CA 1.909 63.978 62.100 -0.051 0.000 1.136 225 T CB -0.287 68.558 68.868 -0.039 0.000 0.864 225 T HN 0.298 nan 8.240 nan 0.000 0.467 226 L N 0.848 122.050 121.223 -0.035 0.000 2.034 226 L HA 0.066 4.412 4.340 0.010 0.000 0.203 226 L C 2.537 179.400 176.870 -0.010 0.000 1.074 226 L CA 1.566 56.393 54.840 -0.021 0.000 0.748 226 L CB -1.130 40.916 42.059 -0.022 0.000 0.905 226 L HN 0.122 nan 8.230 nan 0.000 0.439 227 V N -0.952 118.954 119.914 -0.013 0.000 2.427 227 V HA -0.196 3.930 4.120 0.010 0.000 0.248 227 V C 2.645 178.800 176.094 0.102 0.000 1.051 227 V CA 1.107 63.419 62.300 0.020 0.000 1.048 227 V CB -0.131 31.704 31.823 0.020 0.000 0.666 227 V HN 0.222 nan 8.190 nan 0.000 0.456 228 V N -0.560 119.390 119.914 0.061 0.000 2.379 228 V HA -0.191 3.935 4.120 0.010 0.000 0.245 228 V C 2.588 178.727 176.094 0.076 0.000 1.044 228 V CA 2.196 64.543 62.300 0.078 0.000 1.036 228 V CB -0.140 31.703 31.823 0.034 0.000 0.664 228 V HN 0.551 nan 8.190 nan 0.000 0.453 229 S N 0.108 115.838 115.700 0.050 0.000 2.383 229 S HA -0.209 4.267 4.470 0.010 0.000 0.229 229 S C 2.124 176.764 174.600 0.067 0.000 1.030 229 S CA 2.017 60.244 58.200 0.045 0.000 1.002 229 S CB -0.361 62.854 63.200 0.025 0.000 0.829 229 S HN 0.900 nan 8.310 nan 0.000 0.467 230 T N 0.592 115.208 114.554 0.103 0.000 2.857 230 T HA 0.034 4.390 4.350 0.010 0.000 0.266 230 T C 1.750 176.549 174.700 0.166 0.000 1.048 230 T CA 0.849 63.041 62.100 0.153 0.000 1.139 230 T CB -0.582 68.393 68.868 0.179 0.000 0.874 230 T HN 0.222 nan 8.240 nan 0.000 0.455 231 L N 0.810 122.150 121.223 0.196 0.000 2.081 231 L HA 0.074 4.420 4.340 0.010 0.000 0.212 231 L C 2.271 179.092 176.870 -0.080 0.000 1.080 231 L CA 1.376 56.117 54.840 -0.165 0.000 0.754 231 L CB -0.675 41.416 42.059 0.054 0.000 0.893 231 L HN 0.338 nan 8.230 nan 0.000 0.433 232 I N -0.843 119.741 120.570 0.023 0.000 2.163 232 I HA -0.258 3.918 4.170 0.010 0.000 0.240 232 I C 2.475 178.623 176.117 0.052 0.000 1.081 232 I CA 1.144 62.468 61.300 0.041 0.000 1.353 232 I CB -0.482 37.544 38.000 0.043 0.000 1.054 232 I HN 0.332 nan 8.210 nan 0.000 0.407 233 A N -0.403 122.457 122.820 0.066 0.000 2.139 233 A HA -0.317 4.008 4.320 0.010 0.000 0.221 233 A C 2.026 179.710 177.584 0.166 0.000 1.159 233 A CA 2.155 54.264 52.037 0.120 0.000 0.662 233 A CB -1.046 18.015 19.000 0.102 0.000 0.796 233 A HN 0.651 nan 8.150 nan 0.000 0.463 234 H N -1.228 117.787 119.070 -0.091 0.000 2.520 234 H HA 0.238 4.800 4.556 0.010 0.000 0.279 234 H C 1.610 176.861 175.328 -0.128 0.000 0.990 234 H CA 0.931 56.852 56.048 -0.211 0.000 1.288 234 H CB -0.058 29.368 29.762 -0.561 0.000 1.446 234 H HN 0.409 nan 8.280 nan 0.000 0.538 235 I N 0.317 120.885 120.570 -0.003 0.000 2.353 235 I HA -0.145 4.031 4.170 0.010 0.000 0.248 235 I C 2.629 178.743 176.117 -0.005 0.000 1.119 235 I CA 0.796 62.118 61.300 0.037 0.000 1.417 235 I CB -0.360 37.702 38.000 0.103 0.000 1.078 235 I HN 0.408 nan 8.210 nan 0.000 0.421 236 A N 1.086 123.921 122.820 0.025 0.000 1.917 236 A HA -0.239 4.087 4.320 0.010 0.000 0.219 236 A C 2.048 179.561 177.584 -0.119 0.000 1.182 236 A CA 1.882 53.903 52.037 -0.026 0.000 0.633 236 A CB -0.923 18.091 19.000 0.022 0.000 0.819 236 A HN 0.341 nan 8.150 nan 0.000 0.448 237 F N -0.473 119.345 119.950 -0.220 0.000 2.187 237 F HA -0.036 4.496 4.527 0.010 0.000 0.295 237 F C 2.153 177.784 175.800 -0.283 0.000 1.091 237 F CA 1.227 59.070 58.000 -0.262 0.000 1.308 237 F CB -0.901 37.910 39.000 -0.315 0.000 1.030 237 F HN 0.324 nan 8.300 nan 0.000 0.487 238 N N 0.868 119.457 118.700 -0.185 0.000 2.036 238 N HA -0.224 4.522 4.740 0.010 0.000 0.195 238 N C 1.822 177.277 175.510 -0.091 0.000 1.037 238 N CA 1.885 54.845 53.050 -0.150 0.000 0.855 238 N CB -0.336 38.113 38.487 -0.063 0.000 1.033 238 N HN 0.211 nan 8.380 nan 0.000 0.423 239 I N -0.288 120.234 120.570 -0.079 0.000 2.226 239 I HA -0.223 3.953 4.170 0.010 0.000 0.245 239 I C 2.093 178.137 176.117 -0.121 0.000 1.100 239 I CA 0.506 61.756 61.300 -0.083 0.000 1.374 239 I CB -0.247 37.714 38.000 -0.066 0.000 1.057 239 I HN 0.267 nan 8.210 nan 0.000 0.413 240 L N 0.268 121.392 121.223 -0.164 0.000 2.043 240 L HA -0.221 4.125 4.340 0.010 0.000 0.212 240 L C 2.325 179.091 176.870 -0.173 0.000 1.075 240 L CA 1.876 56.598 54.840 -0.198 0.000 0.752 240 L CB -0.377 41.496 42.059 -0.309 0.000 0.891 240 L HN -0.004 nan 8.230 nan 0.000 0.432 241 V N -0.769 119.048 119.914 -0.162 0.000 2.407 241 V HA -0.178 3.948 4.120 0.010 0.000 0.245 241 V C 2.276 178.250 176.094 -0.200 0.000 1.041 241 V CA 1.530 63.730 62.300 -0.166 0.000 1.040 241 V CB -0.502 31.245 31.823 -0.128 0.000 0.671 241 V HN 0.532 nan 8.190 nan 0.000 0.455 242 E N -0.572 119.529 120.200 -0.164 0.000 2.533 242 E HA -0.141 4.215 4.350 0.010 0.000 0.201 242 E C 1.716 178.222 176.600 -0.156 0.000 1.097 242 E CA 0.856 57.156 56.400 -0.166 0.000 0.887 242 E CB 0.164 29.798 29.700 -0.111 0.000 0.855 242 E HN 0.528 nan 8.360 nan 0.000 0.540 243 T N -0.332 114.133 114.554 -0.149 0.000 3.071 243 T HA 0.092 4.448 4.350 0.010 0.000 0.239 243 T C 0.980 175.614 174.700 -0.110 0.000 0.997 243 T CA -0.096 61.934 62.100 -0.117 0.000 1.134 243 T CB 0.188 68.994 68.868 -0.103 0.000 0.928 243 T HN 0.104 nan 8.240 nan 0.000 0.453 244 N N 1.998 120.631 118.700 -0.112 0.000 2.843 244 N HA 0.244 4.990 4.740 0.010 0.000 0.284 244 N C -1.308 174.129 175.510 -0.122 0.000 1.274 244 N CA 0.140 53.150 53.050 -0.067 0.000 1.045 244 N CB 0.276 38.759 38.487 -0.007 0.000 1.370 244 N HN 0.170 nan 8.380 nan 0.000 0.525 245 L N 1.078 122.172 121.223 -0.215 0.000 2.592 245 L HA 0.423 4.769 4.340 0.010 0.000 0.258 245 L C -2.379 174.290 176.870 -0.334 0.000 0.926 245 L CA -1.700 52.903 54.840 -0.396 0.000 0.885 245 L CB 2.479 44.209 42.059 -0.549 0.000 1.380 245 L HN -0.002 nan 8.230 nan 0.000 0.415 246 P HA 0.247 nan 4.420 nan 0.000 0.276 246 P C -0.994 176.175 177.300 -0.219 0.000 1.261 246 P CA -0.572 62.401 63.100 -0.212 0.000 0.800 246 P CB 0.667 32.307 31.700 -0.100 0.000 1.066 247 K N 1.110 121.429 120.400 -0.134 0.000 2.278 247 K HA 0.123 4.449 4.320 0.010 0.000 0.237 247 K C 0.620 177.133 176.600 -0.144 0.000 1.229 247 K CA 0.138 56.344 56.287 -0.135 0.000 1.155 247 K CB -1.344 31.103 32.500 -0.088 0.000 1.590 247 K HN 0.545 nan 8.250 nan 0.000 0.290 248 T N -0.466 113.941 114.554 -0.245 0.000 2.937 248 T HA 0.102 4.458 4.350 0.010 0.000 0.316 248 T C -1.068 173.454 174.700 -0.296 0.000 1.079 248 T CA -0.840 61.030 62.100 -0.383 0.000 1.131 248 T CB 0.748 69.053 68.868 -0.938 0.000 1.000 248 T HN 0.249 nan 8.240 nan 0.000 0.549 249 P HA 0.186 nan 4.420 nan 0.000 0.261 249 P C -0.322 177.009 177.300 0.052 0.000 1.268 249 P CA -0.119 62.968 63.100 -0.022 0.000 0.833 249 P CB -0.192 31.549 31.700 0.069 0.000 1.231 250 Y N -1.459 118.864 120.300 0.039 0.000 2.732 250 Y HA 0.786 5.341 4.550 0.010 0.000 0.327 250 Y C 0.103 176.033 175.900 0.051 0.000 1.162 250 Y CA -2.195 55.929 58.100 0.039 0.000 1.238 250 Y CB 0.078 38.558 38.460 0.033 0.000 1.443 250 Y HN -0.328 nan 8.280 nan 0.000 0.584 251 M N 2.373 122.128 119.600 0.259 0.000 2.167 251 M HA 0.393 4.879 4.480 0.010 0.000 0.333 251 M C -0.821 175.683 176.300 0.340 0.000 1.030 251 M CA -0.408 55.014 55.300 0.203 0.000 0.963 251 M CB 1.107 33.842 32.600 0.225 0.000 1.589 251 M HN 0.848 nan 8.290 nan 0.000 0.431 252 T N 2.550 117.263 114.554 0.265 0.000 2.795 252 T HA 0.052 4.408 4.350 0.010 0.000 0.314 252 T C 0.633 175.739 174.700 0.678 0.000 1.069 252 T CA -0.137 62.205 62.100 0.403 0.000 1.071 252 T CB 0.326 69.338 68.868 0.240 0.000 0.988 252 T HN 0.707 nan 8.240 nan 0.000 0.543 253 Y N 1.916 122.642 120.300 0.710 0.000 2.109 253 Y HA -0.091 4.465 4.550 0.010 0.000 0.285 253 Y C 2.712 178.874 175.900 0.436 0.000 1.131 253 Y CA 2.206 60.808 58.100 0.836 0.000 1.121 253 Y CB -1.176 37.823 38.460 0.898 0.000 0.987 253 Y HN 0.763 nan 8.280 nan 0.000 0.495 254 T N -0.785 114.015 114.554 0.410 0.000 3.025 254 T HA -0.066 4.290 4.350 0.010 0.000 0.270 254 T C 1.970 176.725 174.700 0.091 0.000 1.126 254 T CA 0.914 63.129 62.100 0.192 0.000 1.105 254 T CB -0.886 68.192 68.868 0.349 0.000 0.884 254 T HN 0.537 nan 8.240 nan 0.000 0.522 255 G N 1.075 109.959 108.800 0.141 0.000 2.396 255 G HA2 0.176 4.142 3.960 0.010 0.000 0.214 255 G HA3 0.176 4.142 3.960 0.010 0.000 0.214 255 G C 1.720 176.686 174.900 0.110 0.000 1.166 255 G CA 0.521 45.680 45.100 0.098 0.000 0.793 255 G HN 0.588 nan 8.290 nan 0.000 0.533 256 A N 1.660 124.536 122.820 0.094 0.000 1.832 256 A HA 0.069 4.395 4.320 0.010 0.000 0.214 256 A C 2.364 179.949 177.584 0.002 0.000 1.204 256 A CA 1.397 53.471 52.037 0.061 0.000 0.606 256 A CB -0.642 18.319 19.000 -0.065 0.000 0.849 256 A HN 0.742 nan 8.150 nan 0.000 0.445 257 I N -2.710 117.741 120.570 -0.198 0.000 3.164 257 I HA -0.039 4.137 4.170 0.010 0.000 0.278 257 I C 1.626 177.710 176.117 -0.055 0.000 1.320 257 I CA 1.185 62.362 61.300 -0.205 0.000 1.422 257 I CB -0.110 37.680 38.000 -0.350 0.000 1.066 257 I HN 0.317 nan 8.210 nan 0.000 0.503 258 I N -0.473 120.115 120.570 0.030 0.000 3.645 258 I HA -0.025 4.151 4.170 0.010 0.000 0.300 258 I C 1.810 178.055 176.117 0.212 0.000 1.260 258 I CA 0.347 61.699 61.300 0.087 0.000 1.365 258 I CB 0.289 38.313 38.000 0.041 0.000 1.077 258 I HN 0.332 nan 8.210 nan 0.000 0.439 259 F N 0.409 120.416 119.950 0.095 0.000 2.505 259 F HA 0.057 4.590 4.527 0.010 0.000 0.289 259 F C 2.171 178.050 175.800 0.132 0.000 1.101 259 F CA 0.783 58.908 58.000 0.209 0.000 1.446 259 F CB 0.002 39.085 39.000 0.138 0.000 1.123 259 F HN -0.145 nan 8.300 nan 0.000 0.564 260 M N 0.247 119.851 119.600 0.005 0.000 2.108 260 M HA -0.203 4.283 4.480 0.010 0.000 0.261 260 M C 2.042 178.191 176.300 -0.252 0.000 1.066 260 M CA 1.851 57.044 55.300 -0.179 0.000 1.107 260 M CB -0.469 31.999 32.600 -0.220 0.000 1.356 260 M HN 0.223 nan 8.290 nan 0.000 0.406 261 I N -0.843 119.626 120.570 -0.169 0.000 2.756 261 I HA -0.294 3.882 4.170 0.010 0.000 0.262 261 I C 1.679 177.699 176.117 -0.162 0.000 1.225 261 I CA 0.940 62.135 61.300 -0.175 0.000 1.472 261 I CB -0.460 37.447 38.000 -0.155 0.000 1.094 261 I HN 0.263 nan 8.210 nan 0.000 0.454 262 Y N 0.044 120.233 120.300 -0.185 0.000 2.421 262 Y HA -0.157 4.399 4.550 0.009 0.000 0.292 262 Y C 2.120 178.001 175.900 -0.032 0.000 1.136 262 Y CA 0.890 58.879 58.100 -0.184 0.000 1.255 262 Y CB -0.034 38.295 38.460 -0.218 0.000 0.991 262 Y HN 0.079 nan 8.280 nan 0.000 0.552 263 L N -2.093 119.200 121.223 0.117 0.000 2.209 263 L HA -0.062 4.284 4.340 0.010 0.000 0.207 263 L C 1.503 178.647 176.870 0.457 0.000 1.094 263 L CA 1.182 56.171 54.840 0.248 0.000 0.790 263 L CB -1.297 40.871 42.059 0.182 0.000 0.932 263 L HN 0.080 nan 8.230 nan 0.000 0.447 264 F N -2.161 117.821 119.950 0.053 0.000 2.771 264 F HA -0.064 4.469 4.527 0.010 0.000 0.299 264 F C 1.774 177.566 175.800 -0.014 0.000 1.177 264 F CA 0.128 58.103 58.000 -0.041 0.000 1.450 264 F CB -0.955 38.017 39.000 -0.045 0.000 1.114 264 F HN 0.103 nan 8.300 nan 0.000 0.587 265 Y N -2.866 117.546 120.300 0.186 0.000 2.559 265 Y HA 0.011 4.566 4.550 0.009 0.000 0.279 265 Y C 2.182 178.227 175.900 0.242 0.000 1.117 265 Y CA 0.119 58.309 58.100 0.150 0.000 1.263 265 Y CB -0.549 37.943 38.460 0.053 0.000 1.230 265 Y HN -0.038 nan 8.280 nan 0.000 0.528 266 F N 0.640 120.745 119.950 0.258 0.000 2.051 266 F HA -0.199 4.335 4.527 0.011 0.000 0.296 266 F C 2.495 178.405 175.800 0.182 0.000 1.122 266 F CA 1.860 59.969 58.000 0.183 0.000 1.201 266 F CB -0.904 38.170 39.000 0.123 0.000 0.978 266 F HN -0.106 nan 8.300 nan 0.000 0.472 267 V N -0.378 119.634 119.914 0.163 0.000 2.490 267 V HA -0.108 4.018 4.120 0.010 0.000 0.250 267 V C 2.385 178.657 176.094 0.297 0.000 1.061 267 V CA 1.518 63.885 62.300 0.111 0.000 1.064 267 V CB -1.940 29.971 31.823 0.147 0.000 0.670 267 V HN 0.389 nan 8.190 nan 0.000 0.461 268 A N 0.474 123.558 122.820 0.439 0.000 1.884 268 A HA -0.178 4.148 4.320 0.010 0.000 0.219 268 A C 2.435 180.185 177.584 0.276 0.000 1.197 268 A CA 2.678 55.046 52.037 0.553 0.000 0.637 268 A CB -1.191 18.061 19.000 0.419 0.000 0.827 268 A HN 0.532 nan 8.150 nan 0.000 0.450 269 V N 0.076 120.083 119.914 0.156 0.000 2.626 269 V HA -0.184 3.942 4.120 0.010 0.000 0.252 269 V C 2.355 178.452 176.094 0.005 0.000 1.067 269 V CA 1.348 63.693 62.300 0.075 0.000 1.081 269 V CB -0.579 31.287 31.823 0.071 0.000 0.686 269 V HN 0.482 nan 8.190 nan 0.000 0.468 270 I N -0.140 120.376 120.570 -0.090 0.000 2.072 270 I HA -0.171 4.005 4.170 0.010 0.000 0.235 270 I C 2.591 178.711 176.117 0.005 0.000 1.058 270 I CA 1.469 62.703 61.300 -0.111 0.000 1.320 270 I CB -1.309 36.577 38.000 -0.189 0.000 1.047 270 I HN 0.384 nan 8.210 nan 0.000 0.397 271 E N 1.118 121.340 120.200 0.037 0.000 2.082 271 E HA -0.259 4.097 4.350 0.010 0.000 0.215 271 E C 2.167 178.803 176.600 0.059 0.000 1.048 271 E CA 3.128 59.529 56.400 0.003 0.000 0.869 271 E CB -0.391 29.257 29.700 -0.088 0.000 0.773 271 E HN 0.361 nan 8.360 nan 0.000 0.466 272 V N -1.098 118.901 119.914 0.141 0.000 2.568 272 V HA -0.177 3.949 4.120 0.010 0.000 0.253 272 V C 2.261 178.519 176.094 0.272 0.000 1.072 272 V CA 2.343 64.760 62.300 0.196 0.000 1.084 272 V CB -1.154 30.785 31.823 0.194 0.000 0.676 272 V HN 0.108 nan 8.190 nan 0.000 0.469 273 T N -0.622 114.071 114.554 0.232 0.000 3.014 273 T HA 0.086 4.442 4.350 0.010 0.000 0.263 273 T C 1.802 176.583 174.700 0.135 0.000 1.078 273 T CA 1.371 63.614 62.100 0.239 0.000 1.135 273 T CB 0.417 69.395 68.868 0.184 0.000 0.895 273 T HN 0.349 nan 8.240 nan 0.000 0.480 274 V N 1.157 121.127 119.914 0.093 0.000 2.725 274 V HA 0.084 4.210 4.120 0.010 0.000 0.247 274 V C 2.016 178.141 176.094 0.052 0.000 1.058 274 V CA 0.876 63.217 62.300 0.069 0.000 1.080 274 V CB -0.119 31.718 31.823 0.024 0.000 0.713 274 V HN 0.390 nan 8.190 nan 0.000 0.465 275 Q N -0.861 118.965 119.800 0.044 0.000 2.362 275 Q HA -0.159 4.187 4.340 0.010 0.000 0.210 275 Q C 0.992 177.053 176.000 0.102 0.000 0.924 275 Q CA 0.831 56.651 55.803 0.029 0.000 0.982 275 Q CB -0.112 28.631 28.738 0.008 0.000 1.028 275 Q HN 0.840 nan 8.270 nan 0.000 0.482 276 H N -1.866 117.172 119.070 -0.053 0.000 1.719 276 H HA 0.001 4.561 4.556 0.006 0.000 0.154 276 H C -0.492 174.784 175.328 -0.088 0.000 1.014 276 H CA -0.097 55.879 56.048 -0.121 0.000 1.028 276 H CB -0.067 29.510 29.762 -0.309 0.000 0.866 276 H HN 0.257 nan 8.280 nan 0.000 0.314 277 Y N 1.436 121.649 120.300 -0.147 0.000 3.127 277 Y HA 0.304 4.860 4.550 0.009 0.000 0.387 277 Y C 0.207 176.031 175.900 -0.127 0.000 1.029 277 Y CA 0.467 58.470 58.100 -0.161 0.000 1.905 277 Y CB -0.323 38.086 38.460 -0.086 0.000 2.007 277 Y HN 0.354 nan 8.280 nan 0.000 0.435 278 L N -0.155 120.948 121.223 -0.199 0.000 4.368 278 L HA 0.201 4.547 4.340 0.010 0.000 0.430 278 L C 0.908 177.669 176.870 -0.181 0.000 1.098 278 L CA 0.199 54.933 54.840 -0.177 0.000 1.557 278 L CB 0.188 42.200 42.059 -0.078 0.000 1.638 278 L HN 0.077 nan 8.230 nan 0.000 0.622 279 K N -1.048 119.223 120.400 -0.216 0.000 2.440 279 K HA 0.195 4.521 4.320 0.010 0.000 0.207 279 K C 1.365 177.817 176.600 -0.247 0.000 1.112 279 K CA 0.989 57.166 56.287 -0.184 0.000 1.036 279 K CB 0.930 33.363 32.500 -0.111 0.000 0.935 279 K HN 0.204 nan 8.250 nan 0.000 0.564 280 V N -1.359 118.339 119.914 -0.361 0.000 2.949 280 V HA 0.182 4.308 4.120 0.010 0.000 0.245 280 V C 0.305 176.216 176.094 -0.304 0.000 1.086 280 V CA 0.003 62.100 62.300 -0.339 0.000 1.097 280 V CB 0.048 31.620 31.823 -0.418 0.000 0.762 280 V HN -0.018 nan 8.190 nan 0.000 0.470 281 E N 2.033 122.005 120.200 -0.379 0.000 2.351 281 E HA 0.207 4.563 4.350 0.010 0.000 0.266 281 E C 0.261 176.728 176.600 -0.221 0.000 1.031 281 E CA 0.223 56.418 56.400 -0.341 0.000 0.911 281 E CB 1.303 30.736 29.700 -0.446 0.000 0.986 281 E HN 0.375 nan 8.360 nan 0.000 0.446 282 S N 3.223 118.821 115.700 -0.170 0.000 3.870 282 S HA -0.060 4.416 4.470 0.010 0.000 0.198 282 S C 0.601 175.136 174.600 -0.109 0.000 1.336 282 S CA 0.326 58.452 58.200 -0.124 0.000 1.049 282 S CB -0.392 62.748 63.200 -0.099 0.000 1.412 282 S HN 0.383 nan 8.310 nan 0.000 0.448 283 Q N 0.733 120.462 119.800 -0.118 0.000 3.007 283 Q HA 0.210 4.556 4.340 0.010 0.000 0.321 283 Q C -2.687 173.257 176.000 -0.095 0.000 0.784 283 Q CA -1.211 54.533 55.803 -0.097 0.000 0.990 283 Q CB 0.702 29.383 28.738 -0.094 0.000 1.493 283 Q HN 0.148 nan 8.270 nan 0.000 0.382 284 P HA -0.067 nan 4.420 nan 0.000 0.229 284 P C 1.073 178.327 177.300 -0.077 0.000 1.150 284 P CA 1.374 64.425 63.100 -0.082 0.000 0.765 284 P CB 0.138 31.796 31.700 -0.071 0.000 0.783 285 A N -0.267 122.510 122.820 -0.072 0.000 1.958 285 A HA -0.277 4.049 4.320 0.010 0.000 0.221 285 A C 2.355 179.892 177.584 -0.078 0.000 1.178 285 A CA 2.063 54.059 52.037 -0.069 0.000 0.642 285 A CB -0.800 18.162 19.000 -0.063 0.000 0.816 285 A HN 0.082 nan 8.150 nan 0.000 0.453 286 R N -1.232 119.220 120.500 -0.081 0.000 2.105 286 R HA 0.325 4.671 4.340 0.010 0.000 0.214 286 R C 2.357 178.597 176.300 -0.099 0.000 1.091 286 R CA 1.252 57.300 56.100 -0.086 0.000 1.007 286 R CB -0.717 29.536 30.300 -0.078 0.000 0.912 286 R HN 0.390 nan 8.270 nan 0.000 0.450 287 A N 0.727 123.491 122.820 -0.094 0.000 1.842 287 A HA -0.140 4.186 4.320 0.010 0.000 0.217 287 A C 1.972 179.485 177.584 -0.118 0.000 1.206 287 A CA 2.005 53.985 52.037 -0.095 0.000 0.630 287 A CB -1.327 17.627 19.000 -0.076 0.000 0.839 287 A HN 0.396 nan 8.150 nan 0.000 0.447 288 A N -1.008 121.747 122.820 -0.109 0.000 2.236 288 A HA 0.310 4.636 4.320 0.010 0.000 0.214 288 A C 1.847 179.341 177.584 -0.149 0.000 1.287 288 A CA 1.299 53.258 52.037 -0.131 0.000 0.909 288 A CB -0.619 18.318 19.000 -0.104 0.000 0.839 288 A HN 0.558 nan 8.150 nan 0.000 0.486 289 S N -0.998 114.614 115.700 -0.147 0.000 2.566 289 S HA 0.113 4.588 4.470 0.010 0.000 0.234 289 S C 1.728 176.213 174.600 -0.191 0.000 1.075 289 S CA 0.476 58.586 58.200 -0.151 0.000 0.926 289 S CB -0.265 62.865 63.200 -0.117 0.000 0.811 289 S HN 0.486 nan 8.310 nan 0.000 0.518 290 I N 1.530 121.982 120.570 -0.197 0.000 2.133 290 I HA -0.152 4.024 4.170 0.010 0.000 0.238 290 I C 2.451 178.342 176.117 -0.376 0.000 1.074 290 I CA 1.516 62.666 61.300 -0.250 0.000 1.342 290 I CB -0.719 37.156 38.000 -0.208 0.000 1.053 290 I HN 0.273 nan 8.210 nan 0.000 0.404 291 T N 0.460 114.793 114.554 -0.369 0.000 2.751 291 T HA -0.263 4.093 4.350 0.010 0.000 0.268 291 T C 2.054 176.409 174.700 -0.576 0.000 1.045 291 T CA 1.327 63.136 62.100 -0.485 0.000 1.142 291 T CB -0.267 68.411 68.868 -0.316 0.000 0.851 291 T HN 0.145 nan 8.240 nan 0.000 0.474 292 R N 0.741 120.982 120.500 -0.433 0.000 2.073 292 R HA 0.190 4.535 4.340 0.010 0.000 0.229 292 R C 2.599 178.646 176.300 -0.421 0.000 1.120 292 R CA 1.492 57.345 56.100 -0.412 0.000 0.967 292 R CB -1.048 29.087 30.300 -0.275 0.000 0.862 292 R HN 0.441 nan 8.270 nan 0.000 0.436 293 A N 0.090 122.679 122.820 -0.385 0.000 1.855 293 A HA -0.124 4.202 4.320 0.010 0.000 0.215 293 A C 2.326 179.625 177.584 -0.474 0.000 1.191 293 A CA 1.878 53.709 52.037 -0.343 0.000 0.613 293 A CB -0.775 18.062 19.000 -0.271 0.000 0.829 293 A HN 0.354 nan 8.150 nan 0.000 0.442 294 S N 0.080 115.337 115.700 -0.739 0.000 2.393 294 S HA -0.307 4.169 4.470 0.010 0.000 0.235 294 S C 1.850 175.889 174.600 -0.936 0.000 1.061 294 S CA 2.055 59.513 58.200 -1.236 0.000 1.129 294 S CB -0.520 61.367 63.200 -2.187 0.000 1.011 294 S HN 0.665 nan 8.310 nan 0.000 0.436 295 R N -0.006 120.016 120.500 -0.797 0.000 2.388 295 R HA -0.047 4.299 4.340 0.010 0.000 0.233 295 R C 1.152 177.357 176.300 -0.158 0.000 1.156 295 R CA 0.815 56.678 56.100 -0.394 0.000 1.036 295 R CB -0.213 29.662 30.300 -0.709 0.000 0.847 295 R HN 0.357 nan 8.270 nan 0.000 0.483 296 I N -1.569 118.870 120.570 -0.218 0.000 3.873 296 I HA 0.128 4.304 4.170 0.010 0.000 0.284 296 I C 2.064 178.138 176.117 -0.071 0.000 1.186 296 I CA 0.508 61.745 61.300 -0.105 0.000 1.362 296 I CB -1.029 36.913 38.000 -0.097 0.000 1.432 296 I HN -0.000 nan 8.210 nan 0.000 0.454 297 A N 0.673 123.436 122.820 -0.094 0.000 1.933 297 A HA -0.165 4.161 4.320 0.010 0.000 0.218 297 A C 2.260 179.903 177.584 0.099 0.000 1.175 297 A CA 1.382 53.417 52.037 -0.003 0.000 0.628 297 A CB -0.894 18.096 19.000 -0.016 0.000 0.814 297 A HN 0.310 nan 8.150 nan 0.000 0.444 298 F N 0.168 119.935 119.950 -0.305 0.000 2.000 298 F HA -0.103 4.431 4.527 0.011 0.000 0.295 298 F C -0.328 175.297 175.800 -0.291 0.000 1.159 298 F CA 1.252 58.988 58.000 -0.439 0.000 1.171 298 F CB -1.094 37.498 39.000 -0.679 0.000 0.971 298 F HN 0.151 nan 8.300 nan 0.000 0.479 299 P HA -0.101 nan 4.420 nan 0.000 0.229 299 P C 1.192 178.633 177.300 0.235 0.000 1.150 299 P CA 0.862 64.030 63.100 0.113 0.000 0.765 299 P CB 0.046 31.757 31.700 0.018 0.000 0.783 300 V N -1.189 118.820 119.914 0.159 0.000 2.436 300 V HA -0.102 4.024 4.120 0.010 0.000 0.240 300 V C 2.280 178.500 176.094 0.210 0.000 1.040 300 V CA 1.050 63.445 62.300 0.158 0.000 1.052 300 V CB -0.707 31.165 31.823 0.082 0.000 0.707 300 V HN -0.131 nan 8.190 nan 0.000 0.469 301 V N 0.045 120.076 119.914 0.195 0.000 2.453 301 V HA -0.291 3.834 4.120 0.010 0.000 0.252 301 V C 2.084 178.467 176.094 0.481 0.000 1.068 301 V CA 2.465 64.906 62.300 0.235 0.000 1.070 301 V CB -0.747 31.137 31.823 0.101 0.000 0.664 301 V HN 0.551 nan 8.190 nan 0.000 0.461 302 F N 0.467 120.744 119.950 0.546 0.000 1.990 302 F HA -0.194 4.340 4.527 0.011 0.000 0.294 302 F C 2.207 178.173 175.800 0.277 0.000 1.177 302 F CA 2.058 60.420 58.000 0.603 0.000 1.167 302 F CB -0.771 38.693 39.000 0.772 0.000 0.971 302 F HN 0.072 nan 8.300 nan 0.000 0.483 303 L N -0.112 121.317 121.223 0.344 0.000 2.283 303 L HA -0.245 4.101 4.340 0.010 0.000 0.217 303 L C 2.027 178.918 176.870 0.034 0.000 1.104 303 L CA 1.505 56.421 54.840 0.126 0.000 0.772 303 L CB -0.440 41.747 42.059 0.215 0.000 0.899 303 L HN 0.456 nan 8.230 nan 0.000 0.439 304 L N -0.965 120.306 121.223 0.080 0.000 2.102 304 L HA 0.077 4.423 4.340 0.010 0.000 0.202 304 L C 2.545 179.418 176.870 0.006 0.000 1.076 304 L CA 1.458 56.325 54.840 0.046 0.000 0.761 304 L CB -0.354 41.750 42.059 0.075 0.000 0.921 304 L HN 0.216 nan 8.230 nan 0.000 0.444 305 A N -0.546 122.282 122.820 0.014 0.000 1.969 305 A HA -0.201 4.125 4.320 0.010 0.000 0.218 305 A C 2.001 179.505 177.584 -0.134 0.000 1.169 305 A CA 1.844 53.863 52.037 -0.030 0.000 0.635 305 A CB -0.862 18.149 19.000 0.019 0.000 0.810 305 A HN 0.560 nan 8.150 nan 0.000 0.445 306 N N -0.250 118.296 118.700 -0.258 0.000 2.205 306 N HA -0.090 4.656 4.740 0.010 0.000 0.186 306 N C 1.474 176.898 175.510 -0.143 0.000 1.015 306 N CA 1.412 54.283 53.050 -0.298 0.000 0.862 306 N CB -0.306 37.910 38.487 -0.452 0.000 0.986 306 N HN 0.553 nan 8.380 nan 0.000 0.429 307 I N 0.213 120.730 120.570 -0.088 0.000 2.202 307 I HA -0.213 3.963 4.170 0.010 0.000 0.242 307 I C 1.534 177.666 176.117 0.024 0.000 1.091 307 I CA 0.574 61.858 61.300 -0.028 0.000 1.368 307 I CB -0.098 37.887 38.000 -0.025 0.000 1.058 307 I HN 0.158 nan 8.210 nan 0.000 0.410 308 I N 0.062 120.633 120.570 0.001 0.000 2.208 308 I HA -0.287 3.889 4.170 0.010 0.000 0.245 308 I C 2.501 178.675 176.117 0.095 0.000 1.097 308 I CA 1.677 63.003 61.300 0.044 0.000 1.363 308 I CB -1.173 36.836 38.000 0.015 0.000 1.051 308 I HN 0.238 nan 8.210 nan 0.000 0.413 309 L N 1.011 122.229 121.223 -0.007 0.000 2.023 309 L HA -0.039 4.307 4.340 0.010 0.000 0.205 309 L C 2.666 179.530 176.870 -0.009 0.000 1.073 309 L CA 2.060 56.845 54.840 -0.092 0.000 0.745 309 L CB -0.995 40.934 42.059 -0.216 0.000 0.900 309 L HN 0.195 nan 8.230 nan 0.000 0.435 310 A N -0.930 121.914 122.820 0.039 0.000 1.892 310 A HA -0.327 3.999 4.320 0.010 0.000 0.218 310 A C 2.329 179.941 177.584 0.047 0.000 1.188 310 A CA 2.199 54.231 52.037 -0.009 0.000 0.631 310 A CB -1.263 17.655 19.000 -0.137 0.000 0.822 310 A HN 0.518 nan 8.150 nan 0.000 0.447 311 F N -0.057 119.892 119.950 -0.001 0.000 2.102 311 F HA -0.148 4.385 4.527 0.010 0.000 0.298 311 F C 1.817 177.741 175.800 0.207 0.000 1.105 311 F CA 1.716 59.764 58.000 0.081 0.000 1.239 311 F CB -0.319 38.713 39.000 0.053 0.000 0.991 311 F HN 0.163 nan 8.300 nan 0.000 0.474 312 L N -0.384 121.024 121.223 0.308 0.000 2.089 312 L HA -0.256 4.090 4.340 0.010 0.000 0.213 312 L C 2.022 179.170 176.870 0.463 0.000 1.079 312 L CA 1.789 56.796 54.840 0.279 0.000 0.758 312 L CB -1.129 41.092 42.059 0.270 0.000 0.891 312 L HN 0.161 nan 8.230 nan 0.000 0.433 313 F N -2.259 117.840 119.950 0.249 0.000 2.222 313 F HA 0.017 4.550 4.527 0.010 0.000 0.285 313 F C 2.179 178.148 175.800 0.282 0.000 1.068 313 F CA 0.677 58.880 58.000 0.338 0.000 1.265 313 F CB -1.086 38.251 39.000 0.562 0.000 1.087 313 F HN -0.053 nan 8.300 nan 0.000 0.511 314 F N -0.098 119.890 119.950 0.063 0.000 2.262 314 F HA 0.238 4.771 4.527 0.010 0.000 0.292 314 F C 2.644 178.361 175.800 -0.138 0.000 1.081 314 F CA 0.635 58.587 58.000 -0.080 0.000 1.355 314 F CB -1.820 37.087 39.000 -0.155 0.000 1.069 314 F HN -0.040 nan 8.300 nan 0.000 0.506 315 G N -0.950 107.843 108.800 -0.011 0.000 2.498 315 G HA2 -0.150 3.816 3.960 0.010 0.000 0.219 315 G HA3 -0.150 3.816 3.960 0.010 0.000 0.219 315 G C 0.328 174.989 174.900 -0.398 0.000 1.119 315 G CA 0.443 45.376 45.100 -0.278 0.000 0.766 315 G HN 0.262 nan 8.290 nan 0.000 0.552 316 F N 0.000 119.670 119.950 -0.466 0.000 2.286 316 F HA 0.000 4.533 4.527 0.010 0.000 0.279 316 F CA 0.000 57.817 58.000 -0.305 0.000 1.383 316 F CB 0.000 38.822 39.000 -0.297 0.000 1.145 316 F HN 0.000 nan 8.300 nan 0.000 0.574