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 3mj4_1_F DATA FIRST_RESID 28 DATA SEQUENCE KGFDYLIVGA GFAGSVLAER LASSGQRVLI VDRRPHIGGN AYDCYDDAGV DATA SEQUENCE LIHPYGPHIF HTNSKDVFEY LSRFTEWRPY QHRVLASVDG QLLPIPINLD DATA SEQUENCE TVNRLYGLNL TSFQVEEFFA SVAEKVEQVR TSEDVVVSKV GRDLYNKFFR DATA SEQUENCE GYTRKQWGLD PSELDASVTA RVPTRTNRDN RYFADTYQAM PLHGYTRMFQ DATA SEQUENCE NMLSSPNIKV MLNTDYREIA DFIPFQHMIY TGPVDAFFDF CYGKLPYRSL DATA SEQUENCE EFRHETHDTE QLLPTGTVNY PNDYAYTRVS EFKHITGQRH HQTSVVYEYP DATA SEQUENCE RAEGDPYYPV PRPENAELYK KYEALADAAQ DVTFVGRLAT YRYYNMDQVV DATA SEQUENCE AQALATFRRL QGQP 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.546 176.600 -0.089 0.000 0.988 28 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 28 K CB 0.000 32.466 32.500 -0.056 0.000 1.064 29 G N 0.079 108.767 108.800 -0.186 0.000 2.554 29 G HA2 -0.216 3.745 3.960 0.000 0.000 0.253 29 G HA3 -0.216 3.745 3.960 0.000 0.000 0.253 29 G C -0.636 173.973 174.900 -0.485 0.000 1.172 29 G CA -0.014 44.868 45.100 -0.363 0.000 0.950 29 G HN 0.186 nan 8.290 nan 0.000 0.557 30 F N 1.301 121.312 119.950 0.101 0.000 2.522 30 F HA 0.548 5.075 4.527 0.000 0.000 0.324 30 F C 1.099 176.967 175.800 0.114 0.000 1.077 30 F CA -0.557 57.514 58.000 0.118 0.000 0.944 30 F CB 1.935 41.018 39.000 0.139 0.000 1.175 30 F HN 0.339 nan 8.300 nan 0.000 0.468 31 D N 0.711 121.299 120.400 0.313 0.000 2.123 31 D HA -0.120 4.521 4.640 0.000 0.000 0.200 31 D C -0.412 175.894 176.300 0.010 0.000 0.976 31 D CA 1.878 55.971 54.000 0.155 0.000 0.831 31 D CB 0.099 41.038 40.800 0.231 0.000 0.974 31 D HN 0.327 nan 8.370 nan 0.000 0.469 32 Y N -0.447 120.000 120.300 0.246 0.000 2.406 32 Y HA 0.349 4.899 4.550 0.000 0.000 0.340 32 Y C -0.559 175.351 175.900 0.017 0.000 0.975 32 Y CA -1.159 57.042 58.100 0.168 0.000 1.056 32 Y CB 2.032 40.556 38.460 0.107 0.000 1.210 32 Y HN -0.251 nan 8.280 nan 0.000 0.448 33 L N 5.523 126.744 121.223 -0.003 0.000 2.264 33 L HA 0.569 4.909 4.340 0.000 0.000 0.287 33 L C -1.149 175.589 176.870 -0.220 0.000 1.039 33 L CA -0.330 54.316 54.840 -0.323 0.000 0.829 33 L CB -0.027 41.480 42.059 -0.921 0.000 1.211 33 L HN 0.486 nan 8.230 nan 0.000 0.427 34 I N 5.962 126.430 120.570 -0.172 0.000 2.315 34 I HA 0.290 4.460 4.170 0.000 0.000 0.291 34 I C -0.487 175.510 176.117 -0.199 0.000 1.006 34 I CA -0.825 60.386 61.300 -0.148 0.000 1.265 34 I CB 1.555 39.483 38.000 -0.120 0.000 1.387 34 I HN 0.248 nan 8.210 nan 0.000 0.475 35 V N 5.737 125.518 119.914 -0.222 0.000 2.333 35 V HA 0.725 4.845 4.120 0.000 0.000 0.274 35 V C 0.477 176.408 176.094 -0.272 0.000 1.028 35 V CA -0.294 61.864 62.300 -0.237 0.000 0.851 35 V CB 0.644 32.301 31.823 -0.277 0.000 1.000 35 V HN 1.091 nan 8.190 nan 0.000 0.456 36 G N 4.209 112.875 108.800 -0.224 0.000 2.911 36 G HA2 0.295 4.255 3.960 0.000 0.000 0.686 36 G HA3 0.295 4.255 3.960 0.000 0.000 0.686 36 G C -0.137 174.633 174.900 -0.216 0.000 1.136 36 G CA -0.227 44.732 45.100 -0.235 0.000 0.764 36 G HN 1.504 nan 8.290 nan 0.000 0.626 37 A N 1.545 124.218 122.820 -0.244 0.000 2.701 37 A HA 0.782 5.102 4.320 0.000 0.000 0.297 37 A C 1.471 178.853 177.584 -0.337 0.000 1.197 37 A CA 1.169 53.055 52.037 -0.251 0.000 0.963 37 A CB -0.215 18.631 19.000 -0.257 0.000 1.175 37 A HN 2.185 nan 8.150 nan 0.000 0.531 38 G N -0.843 107.789 108.800 -0.280 0.000 2.468 38 G HA2 0.333 4.293 3.960 0.000 0.000 0.264 38 G HA3 0.333 4.293 3.960 0.000 0.000 0.264 38 G C 0.651 175.526 174.900 -0.042 0.000 1.460 38 G CA -0.234 44.695 45.100 -0.285 0.000 1.060 38 G HN 0.195 nan 8.290 nan 0.000 0.543 39 F N 0.800 120.867 119.950 0.194 0.000 2.102 39 F HA -0.034 4.493 4.527 0.000 0.000 0.298 39 F C 3.084 178.950 175.800 0.110 0.000 1.105 39 F CA 1.640 59.795 58.000 0.259 0.000 1.239 39 F CB -0.342 38.781 39.000 0.204 0.000 0.991 39 F HN 0.324 nan 8.300 nan 0.000 0.474 40 A N 0.309 123.277 122.820 0.247 0.000 1.865 40 A HA -0.147 4.173 4.320 0.000 0.000 0.217 40 A C 2.520 180.130 177.584 0.043 0.000 1.191 40 A CA 2.110 54.220 52.037 0.122 0.000 0.623 40 A CB -1.623 17.423 19.000 0.076 0.000 0.826 40 A HN 0.417 nan 8.150 nan 0.000 0.444 41 G N -1.248 107.547 108.800 -0.008 0.000 2.394 41 G HA2 -0.030 3.930 3.960 0.000 0.000 0.215 41 G HA3 -0.030 3.930 3.960 0.000 0.000 0.215 41 G C 1.805 176.672 174.900 -0.056 0.000 1.165 41 G CA 1.216 46.277 45.100 -0.065 0.000 0.784 41 G HN 0.507 nan 8.290 nan 0.000 0.535 42 S N 0.326 116.018 115.700 -0.014 0.000 2.368 42 S HA -0.094 4.377 4.470 0.000 0.000 0.224 42 S C 2.485 177.054 174.600 -0.051 0.000 1.029 42 S CA 1.091 59.278 58.200 -0.021 0.000 0.988 42 S CB -0.250 63.009 63.200 0.099 0.000 0.838 42 S HN 0.166 nan 8.310 nan 0.000 0.462 43 V N 2.004 121.928 119.914 0.017 0.000 2.295 43 V HA -0.159 3.961 4.120 0.000 0.000 0.246 43 V C 2.227 178.261 176.094 -0.100 0.000 1.049 43 V CA 1.530 63.839 62.300 0.015 0.000 1.024 43 V CB -0.723 31.148 31.823 0.080 0.000 0.648 43 V HN 0.352 nan 8.190 nan 0.000 0.447 44 L N -0.018 121.146 121.223 -0.099 0.000 2.083 44 L HA -0.159 4.181 4.340 0.000 0.000 0.209 44 L C 2.644 179.389 176.870 -0.209 0.000 1.083 44 L CA 1.698 56.442 54.840 -0.160 0.000 0.752 44 L CB -0.698 41.300 42.059 -0.101 0.000 0.899 44 L HN 0.333 nan 8.230 nan 0.000 0.433 45 A N -0.728 121.996 122.820 -0.159 0.000 1.858 45 A HA -0.251 4.069 4.320 0.000 0.000 0.216 45 A C 2.333 179.824 177.584 -0.155 0.000 1.190 45 A CA 1.817 53.766 52.037 -0.147 0.000 0.617 45 A CB -0.578 18.349 19.000 -0.121 0.000 0.827 45 A HN 0.413 nan 8.150 nan 0.000 0.443 46 E N -0.062 120.039 120.200 -0.166 0.000 2.058 46 E HA -0.227 4.124 4.350 0.000 0.000 0.194 46 E C 2.254 178.752 176.600 -0.170 0.000 0.997 46 E CA 1.125 57.433 56.400 -0.154 0.000 0.801 46 E CB -0.243 29.339 29.700 -0.197 0.000 0.746 46 E HN 0.406 nan 8.360 nan 0.000 0.450 47 R N 0.151 120.455 120.500 -0.328 0.000 2.070 47 R HA -0.120 4.220 4.340 0.000 0.000 0.233 47 R C 2.479 178.425 176.300 -0.591 0.000 1.137 47 R CA 0.616 56.280 56.100 -0.726 0.000 0.945 47 R CB -1.078 28.310 30.300 -1.520 0.000 0.845 47 R HN 0.232 nan 8.270 nan 0.000 0.430 48 L N 0.786 121.775 121.223 -0.391 0.000 2.042 48 L HA -0.115 4.225 4.340 0.000 0.000 0.210 48 L C 2.357 179.224 176.870 -0.005 0.000 1.076 48 L CA 1.945 56.731 54.840 -0.091 0.000 0.749 48 L CB -1.308 40.616 42.059 -0.225 0.000 0.893 48 L HN 0.177 nan 8.230 nan 0.000 0.432 49 A N -1.444 121.350 122.820 -0.043 0.000 2.066 49 A HA -0.110 4.210 4.320 0.000 0.000 0.218 49 A C 2.409 180.013 177.584 0.033 0.000 1.157 49 A CA 1.399 53.444 52.037 0.014 0.000 0.670 49 A CB -0.498 18.500 19.000 -0.004 0.000 0.804 49 A HN 0.546 nan 8.150 nan 0.000 0.453 50 S N -0.216 115.494 115.700 0.017 0.000 2.470 50 S HA -0.054 4.416 4.470 0.000 0.000 0.225 50 S C 1.697 176.346 174.600 0.082 0.000 1.006 50 S CA 1.106 59.333 58.200 0.045 0.000 0.934 50 S CB -0.526 62.697 63.200 0.037 0.000 0.778 50 S HN 0.813 nan 8.310 nan 0.000 0.517 51 S N 0.049 115.818 115.700 0.116 0.000 2.634 51 S HA 0.496 4.967 4.470 0.000 0.000 0.221 51 S C 1.488 176.165 174.600 0.129 0.000 0.952 51 S CA 0.473 58.770 58.200 0.162 0.000 0.930 51 S CB -0.563 62.804 63.200 0.277 0.000 0.780 51 S HN 1.400 nan 8.310 nan 0.000 0.498 52 G N 0.465 109.329 108.800 0.105 0.000 2.241 52 G HA2 -0.231 3.729 3.960 0.000 0.000 0.244 52 G HA3 -0.231 3.729 3.960 0.000 0.000 0.244 52 G C 0.015 174.986 174.900 0.118 0.000 0.998 52 G CA -0.003 45.156 45.100 0.098 0.000 0.621 52 G HN 0.564 nan 8.290 nan 0.000 0.519 53 Q N 0.634 120.525 119.800 0.151 0.000 2.432 53 Q HA 0.323 4.663 4.340 0.000 0.000 0.264 53 Q C 0.629 176.746 176.000 0.195 0.000 1.035 53 Q CA 0.322 56.248 55.803 0.205 0.000 0.908 53 Q CB 0.413 29.327 28.738 0.293 0.000 1.280 53 Q HN 0.569 nan 8.270 nan 0.000 0.455 54 R N 0.726 121.367 120.500 0.235 0.000 2.196 54 R HA 0.375 4.716 4.340 0.000 0.000 0.340 54 R C -0.610 175.919 176.300 0.382 0.000 1.043 54 R CA -0.292 55.977 56.100 0.281 0.000 0.883 54 R CB 0.680 31.129 30.300 0.249 0.000 1.078 54 R HN 0.237 nan 8.270 nan 0.000 0.462 55 V N 4.971 125.048 119.914 0.271 0.000 2.513 55 V HA 0.334 4.455 4.120 0.000 0.000 0.299 55 V C -0.674 175.344 176.094 -0.127 0.000 1.035 55 V CA -0.931 61.443 62.300 0.122 0.000 0.889 55 V CB 1.764 33.608 31.823 0.035 0.000 0.988 55 V HN 0.484 nan 8.190 nan 0.000 0.440 56 L N 6.396 127.351 121.223 -0.446 0.000 2.318 56 L HA 0.639 4.979 4.340 0.000 0.000 0.277 56 L C -0.665 175.967 176.870 -0.397 0.000 1.008 56 L CA 0.157 54.551 54.840 -0.743 0.000 0.846 56 L CB 0.982 42.081 42.059 -1.599 0.000 1.220 56 L HN 0.667 nan 8.230 nan 0.000 0.423 57 I N 4.804 125.213 120.570 -0.269 0.000 2.488 57 I HA 0.664 4.834 4.170 0.000 0.000 0.299 57 I C -1.106 174.891 176.117 -0.199 0.000 0.984 57 I CA -0.563 60.612 61.300 -0.208 0.000 1.250 57 I CB 1.675 39.579 38.000 -0.161 0.000 1.389 57 I HN 0.476 nan 8.210 nan 0.000 0.488 58 V N 6.413 126.216 119.914 -0.184 0.000 2.971 58 V HA 0.536 4.656 4.120 0.000 0.000 0.309 58 V C -1.326 174.675 176.094 -0.154 0.000 1.130 58 V CA -0.494 61.711 62.300 -0.159 0.000 0.964 58 V CB 2.248 33.984 31.823 -0.144 0.000 1.029 58 V HN 0.778 nan 8.190 nan 0.000 0.427 59 D N 2.403 122.713 120.400 -0.151 0.000 2.837 59 D HA 0.298 4.939 4.640 0.000 0.000 0.220 59 D C 0.455 176.664 176.300 -0.152 0.000 1.236 59 D CA -0.518 53.376 54.000 -0.176 0.000 0.838 59 D CB 2.370 43.015 40.800 -0.258 0.000 1.647 59 D HN 0.662 nan 8.370 nan 0.000 0.486 60 R N 2.009 122.432 120.500 -0.129 0.000 2.276 60 R HA 0.141 4.481 4.340 0.000 0.000 0.203 60 R C 0.391 176.611 176.300 -0.133 0.000 1.017 60 R CA 0.126 56.166 56.100 -0.099 0.000 1.010 60 R CB 0.351 30.617 30.300 -0.056 0.000 0.900 60 R HN 0.097 nan 8.270 nan 0.000 0.469 61 R N 1.619 121.984 120.500 -0.225 0.000 2.560 61 R HA 0.164 4.504 4.340 0.000 0.000 0.270 61 R C -1.832 174.286 176.300 -0.303 0.000 1.074 61 R CA -1.918 54.000 56.100 -0.303 0.000 1.140 61 R CB 0.610 30.558 30.300 -0.586 0.000 1.073 61 R HN 0.041 nan 8.270 nan 0.000 0.527 62 P HA 0.016 nan 4.420 nan 0.000 0.255 62 P C -1.311 175.912 177.300 -0.127 0.000 1.427 62 P CA 0.474 63.500 63.100 -0.123 0.000 0.863 62 P CB -0.074 31.606 31.700 -0.033 0.000 1.444 63 H N -1.794 117.111 119.070 -0.276 0.000 3.037 63 H HA 0.506 5.062 4.556 0.000 0.000 0.336 63 H C 0.060 175.194 175.328 -0.324 0.000 1.323 63 H CA -1.275 54.558 56.048 -0.357 0.000 1.159 63 H CB 0.147 29.430 29.762 -0.799 0.000 1.882 63 H HN -0.153 nan 8.280 nan 0.000 0.535 64 I N -1.159 119.334 120.570 -0.129 0.000 3.276 64 I HA 0.632 4.802 4.170 0.000 0.000 0.306 64 I C 1.205 177.171 176.117 -0.253 0.000 1.060 64 I CA -0.071 61.099 61.300 -0.217 0.000 1.133 64 I CB 0.548 38.461 38.000 -0.145 0.000 1.473 64 I HN 1.150 nan 8.210 nan 0.000 0.649 65 G N 0.468 108.820 108.800 -0.746 0.000 2.217 65 G HA2 -0.032 3.928 3.960 0.000 0.000 0.246 65 G HA3 -0.032 3.928 3.960 0.000 0.000 0.246 65 G C 0.960 175.328 174.900 -0.886 0.000 0.990 65 G CA 0.265 44.496 45.100 -1.449 0.000 0.627 65 G HN 2.181 nan 8.290 nan 0.000 0.522 66 G N 0.658 109.164 108.800 -0.489 0.000 2.582 66 G HA2 -0.327 3.633 3.960 0.000 0.000 0.288 66 G HA3 -0.327 3.633 3.960 0.000 0.000 0.288 66 G C 0.786 175.507 174.900 -0.297 0.000 1.247 66 G CA 0.891 45.780 45.100 -0.351 0.000 0.972 66 G HN 1.166 nan 8.290 nan 0.000 0.557 67 N N 0.890 119.415 118.700 -0.292 0.000 2.348 67 N HA 0.079 4.819 4.740 0.000 0.000 0.185 67 N C 2.209 177.474 175.510 -0.409 0.000 1.019 67 N CA 1.933 54.797 53.050 -0.310 0.000 0.880 67 N CB -0.414 38.097 38.487 0.040 0.000 0.965 67 N HN 0.999 nan 8.380 nan 0.000 0.437 68 A N -0.830 121.716 122.820 -0.456 0.000 2.275 68 A HA 0.033 4.353 4.320 0.000 0.000 0.212 68 A C 0.412 177.707 177.584 -0.482 0.000 1.201 68 A CA -0.454 51.130 52.037 -0.756 0.000 0.843 68 A CB -0.491 18.271 19.000 -0.395 0.000 0.873 68 A HN 0.335 nan 8.150 nan 0.000 0.492 69 Y N 2.596 122.675 120.300 -0.368 0.000 2.811 69 Y HA 0.247 4.797 4.550 0.001 0.000 0.334 69 Y C -0.080 175.682 175.900 -0.230 0.000 1.247 69 Y CA 0.038 57.991 58.100 -0.244 0.000 1.526 69 Y CB 0.350 38.696 38.460 -0.191 0.000 1.284 69 Y HN 0.519 nan 8.280 nan 0.000 0.586 70 D N 4.294 124.150 120.400 -0.906 0.000 2.531 70 D HA 0.605 5.245 4.640 0.000 0.000 0.244 70 D C -1.136 174.575 176.300 -0.981 0.000 1.090 70 D CA -0.509 53.032 54.000 -0.765 0.000 0.989 70 D CB 1.154 41.768 40.800 -0.310 0.000 1.433 70 D HN 0.793 nan 8.370 nan 0.000 0.492 71 C N -2.556 116.359 119.300 -0.642 0.000 3.306 71 C HA 0.637 5.097 4.460 0.000 0.000 0.335 71 C C -1.317 173.428 174.990 -0.408 0.000 1.382 71 C CA -1.208 57.545 59.018 -0.441 0.000 1.254 71 C CB -0.189 27.358 27.740 -0.323 0.000 1.555 71 C HN 0.610 nan 8.230 nan 0.000 0.463 72 Y N 2.513 122.694 120.300 -0.198 0.000 2.402 72 Y HA 0.401 4.952 4.550 0.000 0.000 0.333 72 Y C 1.231 177.033 175.900 -0.163 0.000 1.076 72 Y CA 0.840 58.844 58.100 -0.161 0.000 1.299 72 Y CB 0.637 39.038 38.460 -0.099 0.000 1.197 72 Y HN 0.853 nan 8.280 nan 0.000 0.517 73 D N 0.355 120.692 120.400 -0.105 0.000 2.376 73 D HA -0.023 4.617 4.640 0.000 0.000 0.268 73 D C 0.386 176.666 176.300 -0.033 0.000 1.252 73 D CA -0.168 53.764 54.000 -0.114 0.000 1.041 73 D CB 0.397 41.089 40.800 -0.179 0.000 1.109 73 D HN 0.406 nan 8.370 nan 0.000 0.552 74 D N -0.973 119.403 120.400 -0.040 0.000 2.178 74 D HA -0.032 4.609 4.640 0.000 0.000 0.202 74 D C 1.636 177.951 176.300 0.024 0.000 0.974 74 D CA 1.702 55.699 54.000 -0.004 0.000 0.841 74 D CB -0.465 40.331 40.800 -0.007 0.000 0.953 74 D HN 0.519 nan 8.370 nan 0.000 0.478 75 A N -0.391 122.432 122.820 0.005 0.000 2.238 75 A HA 0.414 4.734 4.320 0.000 0.000 0.208 75 A C 1.753 179.414 177.584 0.128 0.000 1.177 75 A CA 0.995 53.059 52.037 0.044 0.000 0.804 75 A CB -0.194 18.785 19.000 -0.033 0.000 0.823 75 A HN 0.235 nan 8.150 nan 0.000 0.482 76 G N -1.459 107.407 108.800 0.110 0.000 2.136 76 G HA2 -0.184 3.777 3.960 0.000 0.000 0.242 76 G HA3 -0.184 3.777 3.960 0.000 0.000 0.242 76 G C 0.094 175.114 174.900 0.200 0.000 0.989 76 G CA 0.156 45.405 45.100 0.249 0.000 0.682 76 G HN 0.765 nan 8.290 nan 0.000 0.522 77 V N 1.193 121.010 119.914 -0.162 0.000 2.509 77 V HA 0.570 4.691 4.120 0.000 0.000 0.284 77 V C 0.802 176.667 176.094 -0.381 0.000 1.047 77 V CA -0.835 61.259 62.300 -0.343 0.000 0.952 77 V CB 1.658 33.227 31.823 -0.424 0.000 0.988 77 V HN 0.410 nan 8.190 nan 0.000 0.469 78 L N 7.659 128.577 121.223 -0.509 0.000 2.433 78 L HA 0.435 4.776 4.340 0.000 0.000 0.275 78 L C -0.184 176.336 176.870 -0.582 0.000 1.128 78 L CA 0.689 55.084 54.840 -0.742 0.000 0.875 78 L CB -0.272 41.391 42.059 -0.660 0.000 1.171 78 L HN 0.638 nan 8.230 nan 0.000 0.463 79 I N 0.980 121.123 120.570 -0.711 0.000 3.170 79 I HA 0.533 4.703 4.170 0.000 0.000 0.312 79 I C -0.889 174.752 176.117 -0.793 0.000 1.085 79 I CA -0.791 59.772 61.300 -1.229 0.000 0.999 79 I CB 2.066 39.380 38.000 -1.143 0.000 1.233 79 I HN 0.526 nan 8.210 nan 0.000 0.467 80 H N 1.827 120.186 119.070 -1.184 0.000 2.725 80 H HA 0.291 4.847 4.556 0.000 0.000 0.283 80 H C -2.142 173.007 175.328 -0.298 0.000 1.110 80 H CA -1.874 53.934 56.048 -0.400 0.000 1.289 80 H CB 1.111 30.932 29.762 0.098 0.000 1.400 80 H HN 0.445 nan 8.280 nan 0.000 0.493 81 P HA -0.207 nan 4.420 nan 0.000 0.219 81 P C -0.203 176.685 177.300 -0.687 0.000 1.144 81 P CA 1.480 64.261 63.100 -0.531 0.000 0.806 81 P CB 0.038 31.308 31.700 -0.717 0.000 0.771 82 Y N -1.106 118.972 120.300 -0.370 0.000 2.722 82 Y HA 0.537 5.088 4.550 0.000 0.000 0.314 82 Y C 1.261 176.724 175.900 -0.728 0.000 1.008 82 Y CA -0.300 57.312 58.100 -0.813 0.000 1.294 82 Y CB 0.057 38.412 38.460 -0.176 0.000 1.231 82 Y HN -0.098 nan 8.280 nan 0.000 0.558 83 G N 1.458 109.961 108.800 -0.495 0.000 2.690 83 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 83 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 83 G C -3.114 172.031 174.900 0.408 0.000 1.277 83 G CA -1.506 43.624 45.100 0.050 0.000 0.799 83 G HN 0.034 nan 8.290 nan 0.000 0.613 84 P HA 0.294 nan 4.420 nan 0.000 0.271 84 P C -0.690 176.890 177.300 0.466 0.000 1.216 84 P CA 0.285 63.651 63.100 0.444 0.000 0.771 84 P CB 0.575 32.319 31.700 0.074 0.000 0.864 85 H N 2.245 121.692 119.070 0.628 0.000 2.762 85 H HA 0.442 4.998 4.556 0.000 0.000 0.310 85 H C -0.313 175.331 175.328 0.526 0.000 1.004 85 H CA -0.376 55.902 56.048 0.383 0.000 1.267 85 H CB 0.114 29.898 29.762 0.038 0.000 1.437 85 H HN 0.218 nan 8.280 nan 0.000 0.498 86 I N 3.865 124.708 120.570 0.455 0.000 2.307 86 I HA 0.098 4.269 4.170 0.000 0.000 0.289 86 I C -0.182 176.262 176.117 0.546 0.000 1.021 86 I CA -0.456 61.146 61.300 0.504 0.000 1.224 86 I CB 0.160 38.346 38.000 0.309 0.000 1.376 86 I HN 0.404 nan 8.210 nan 0.000 0.470 87 F N 7.755 128.009 119.950 0.507 0.000 2.443 87 F HA 0.461 4.988 4.527 0.000 0.000 0.353 87 F C 0.229 176.180 175.800 0.252 0.000 1.101 87 F CA 0.214 58.426 58.000 0.355 0.000 1.226 87 F CB 0.125 39.418 39.000 0.489 0.000 1.140 87 F HN 0.680 nan 8.300 nan 0.000 0.557 88 H N 1.236 119.565 119.070 -1.236 0.000 3.094 88 H HA 0.576 5.132 4.556 0.000 0.000 0.346 88 H C -1.329 173.408 175.328 -0.985 0.000 1.238 88 H CA -0.985 54.506 56.048 -0.929 0.000 1.209 88 H CB 1.621 30.925 29.762 -0.763 0.000 1.911 88 H HN 0.640 nan 8.280 nan 0.000 0.540 89 T N 1.039 115.283 114.554 -0.517 0.000 2.893 89 T HA 0.248 4.598 4.350 0.000 0.000 0.337 89 T C -0.752 173.940 174.700 -0.014 0.000 1.587 89 T CA -0.778 61.141 62.100 -0.301 0.000 1.066 89 T CB 1.302 70.022 68.868 -0.246 0.000 1.414 89 T HN 0.729 nan 8.240 nan 0.000 0.488 90 N N 1.221 119.925 118.700 0.007 0.000 2.236 90 N HA 0.156 4.896 4.740 0.000 0.000 0.196 90 N C 0.097 175.691 175.510 0.140 0.000 1.114 90 N CA 0.078 53.166 53.050 0.063 0.000 0.859 90 N CB 0.910 39.396 38.487 -0.001 0.000 0.982 90 N HN 0.511 nan 8.380 nan 0.000 0.493 91 S N 0.676 116.441 115.700 0.108 0.000 2.411 91 S HA 0.181 4.651 4.470 0.000 0.000 0.294 91 S C 1.199 175.825 174.600 0.044 0.000 1.115 91 S CA -0.565 57.684 58.200 0.082 0.000 1.071 91 S CB 1.183 64.400 63.200 0.029 0.000 0.967 91 S HN 0.122 nan 8.310 nan 0.000 0.488 92 K N 3.641 124.077 120.400 0.061 0.000 2.148 92 K HA -0.113 4.207 4.320 0.000 0.000 0.204 92 K C 0.838 177.416 176.600 -0.037 0.000 1.050 92 K CA 1.577 57.794 56.287 -0.118 0.000 0.942 92 K CB -0.062 32.485 32.500 0.079 0.000 0.724 92 K HN 0.608 nan 8.250 nan 0.000 0.446 93 D N 0.178 120.592 120.400 0.023 0.000 2.097 93 D HA -0.138 4.502 4.640 0.000 0.000 0.195 93 D C 1.871 178.215 176.300 0.073 0.000 0.989 93 D CA 1.040 55.064 54.000 0.041 0.000 0.827 93 D CB -0.079 40.739 40.800 0.030 0.000 0.966 93 D HN 0.013 nan 8.370 nan 0.000 0.456 94 V N 0.476 120.436 119.914 0.076 0.000 2.358 94 V HA -0.189 3.931 4.120 0.000 0.000 0.246 94 V C 2.132 178.339 176.094 0.188 0.000 1.047 94 V CA 1.119 63.505 62.300 0.145 0.000 1.035 94 V CB -0.493 31.408 31.823 0.130 0.000 0.658 94 V HN 0.123 nan 8.190 nan 0.000 0.452 95 F N 1.124 121.026 119.950 -0.081 0.000 2.102 95 F HA -0.187 4.340 4.527 0.000 0.000 0.298 95 F C 2.425 178.168 175.800 -0.096 0.000 1.105 95 F CA 2.080 59.962 58.000 -0.197 0.000 1.239 95 F CB -0.015 38.550 39.000 -0.725 0.000 0.991 95 F HN 0.166 nan 8.300 nan 0.000 0.474 96 E N -1.152 119.019 120.200 -0.049 0.000 2.204 96 E HA -0.244 4.106 4.350 0.000 0.000 0.194 96 E C 1.794 178.357 176.600 -0.061 0.000 0.989 96 E CA 1.153 57.513 56.400 -0.066 0.000 0.824 96 E CB -0.368 29.337 29.700 0.007 0.000 0.756 96 E HN 0.611 nan 8.360 nan 0.000 0.477 97 Y N 1.104 121.355 120.300 -0.083 0.000 2.089 97 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 97 Y C 1.926 177.788 175.900 -0.065 0.000 1.139 97 Y CA 1.230 59.298 58.100 -0.055 0.000 1.123 97 Y CB -0.371 38.105 38.460 0.025 0.000 0.980 97 Y HN -0.026 nan 8.280 nan 0.000 0.493 98 L N 0.218 121.374 121.223 -0.112 0.000 2.127 98 L HA -0.222 4.118 4.340 0.000 0.000 0.211 98 L C 2.473 179.213 176.870 -0.217 0.000 1.089 98 L CA 1.965 56.741 54.840 -0.107 0.000 0.757 98 L CB -1.502 40.593 42.059 0.060 0.000 0.899 98 L HN 0.240 nan 8.230 nan 0.000 0.434 99 S N -0.916 114.664 115.700 -0.200 0.000 2.465 99 S HA -0.162 4.309 4.470 0.000 0.000 0.241 99 S C 1.892 176.248 174.600 -0.407 0.000 1.000 99 S CA 0.666 58.755 58.200 -0.185 0.000 0.964 99 S CB -0.297 62.838 63.200 -0.109 0.000 0.763 99 S HN 0.440 nan 8.310 nan 0.000 0.512 100 R N -0.160 119.919 120.500 -0.701 0.000 2.237 100 R HA 0.026 4.367 4.340 0.000 0.000 0.219 100 R C 0.627 176.249 176.300 -1.130 0.000 1.080 100 R CA 1.037 56.521 56.100 -1.028 0.000 0.995 100 R CB -0.151 29.219 30.300 -1.550 0.000 0.875 100 R HN 0.475 nan 8.270 nan 0.000 0.462 101 F N -1.974 117.758 119.950 -0.363 0.000 2.746 101 F HA 0.268 4.796 4.527 0.001 0.000 0.320 101 F C 0.460 176.023 175.800 -0.394 0.000 1.097 101 F CA -0.438 57.350 58.000 -0.353 0.000 1.195 101 F CB 1.285 40.052 39.000 -0.388 0.000 1.056 101 F HN -0.239 nan 8.300 nan 0.000 0.562 102 T N -0.043 114.271 114.554 -0.401 0.000 2.885 102 T HA 0.306 4.656 4.350 0.000 0.000 0.322 102 T C -1.051 173.210 174.700 -0.732 0.000 1.387 102 T CA -0.530 61.229 62.100 -0.568 0.000 1.041 102 T CB 1.604 70.001 68.868 -0.786 0.000 1.287 102 T HN 0.049 nan 8.240 nan 0.000 0.491 103 E N 1.202 121.050 120.200 -0.586 0.000 2.292 103 E HA 0.503 4.853 4.350 0.000 0.000 0.258 103 E C -0.940 175.229 176.600 -0.718 0.000 1.115 103 E CA -0.653 55.452 56.400 -0.493 0.000 0.929 103 E CB 1.081 30.649 29.700 -0.220 0.000 1.161 103 E HN 0.509 nan 8.360 nan 0.000 0.453 104 W N 0.080 121.341 121.300 -0.065 0.000 2.799 104 W HA 0.434 5.094 4.660 0.000 0.000 0.349 104 W C -0.103 176.423 176.519 0.012 0.000 1.100 104 W CA -0.764 56.582 57.345 0.002 0.000 1.174 104 W CB 1.158 30.709 29.460 0.150 0.000 1.427 104 W HN 0.124 nan 8.180 nan 0.000 0.547 105 R N 2.571 123.267 120.500 0.326 0.000 2.388 105 R HA 0.399 4.739 4.340 0.000 0.000 0.314 105 R C -2.739 173.748 176.300 0.311 0.000 0.959 105 R CA -1.847 54.388 56.100 0.225 0.000 0.851 105 R CB 1.268 31.636 30.300 0.114 0.000 1.168 105 R HN 0.094 nan 8.270 nan 0.000 0.472 106 P HA -0.046 nan 4.420 nan 0.000 0.264 106 P C -1.616 175.885 177.300 0.335 0.000 1.183 106 P CA 0.470 63.725 63.100 0.259 0.000 0.763 106 P CB 0.098 31.902 31.700 0.173 0.000 0.807 107 Y N 1.645 122.049 120.300 0.173 0.000 2.376 107 Y HA 0.269 4.819 4.550 0.000 0.000 0.321 107 Y C -1.512 174.504 175.900 0.193 0.000 1.189 107 Y CA -0.533 57.676 58.100 0.182 0.000 1.069 107 Y CB 1.624 40.217 38.460 0.222 0.000 1.292 107 Y HN 0.309 nan 8.280 nan 0.000 0.430 108 Q N 5.162 124.687 119.800 -0.459 0.000 2.401 108 Q HA 0.208 4.549 4.340 0.000 0.000 0.260 108 Q C -1.338 174.261 176.000 -0.667 0.000 1.034 108 Q CA -0.945 54.618 55.803 -0.399 0.000 0.737 108 Q CB 1.269 29.912 28.738 -0.159 0.000 1.227 108 Q HN 0.671 nan 8.270 nan 0.000 0.488 109 H N 2.761 121.373 119.070 -0.764 0.000 2.964 109 H HA 0.114 4.670 4.556 0.000 0.000 0.328 109 H C -0.624 174.534 175.328 -0.284 0.000 1.030 109 H CA 0.780 56.526 56.048 -0.505 0.000 1.445 109 H CB 0.430 30.148 29.762 -0.074 0.000 1.449 109 H HN 0.389 nan 8.280 nan 0.000 0.581 110 R N 3.536 123.715 120.500 -0.535 0.000 2.599 110 R HA 0.546 4.886 4.340 0.000 0.000 0.295 110 R C -1.272 174.679 176.300 -0.581 0.000 0.963 110 R CA -1.152 54.693 56.100 -0.425 0.000 0.883 110 R CB 2.164 32.310 30.300 -0.256 0.000 1.171 110 R HN 0.302 nan 8.270 nan 0.000 0.450 111 V N 3.985 123.641 119.914 -0.430 0.000 2.540 111 V HA 0.386 4.506 4.120 0.000 0.000 0.302 111 V C -0.857 175.083 176.094 -0.257 0.000 1.035 111 V CA -0.950 61.100 62.300 -0.417 0.000 0.873 111 V CB 1.931 33.453 31.823 -0.500 0.000 0.992 111 V HN 0.440 nan 8.190 nan 0.000 0.428 112 L N 3.656 124.731 121.223 -0.247 0.000 2.317 112 L HA 0.821 5.161 4.340 0.000 0.000 0.281 112 L C 0.371 177.130 176.870 -0.185 0.000 1.024 112 L CA -0.476 54.256 54.840 -0.180 0.000 0.810 112 L CB 1.520 43.477 42.059 -0.169 0.000 1.240 112 L HN 0.813 nan 8.230 nan 0.000 0.427 113 A N 1.861 124.620 122.820 -0.101 0.000 2.292 113 A HA 0.539 4.859 4.320 0.000 0.000 0.319 113 A C 0.089 177.594 177.584 -0.130 0.000 1.206 113 A CA -0.409 51.565 52.037 -0.106 0.000 0.835 113 A CB 0.745 19.785 19.000 0.067 0.000 1.164 113 A HN 0.662 nan 8.150 nan 0.000 0.505 114 S N 2.604 118.163 115.700 -0.235 0.000 2.416 114 S HA 0.444 4.915 4.470 0.000 0.000 0.302 114 S C -0.550 173.972 174.600 -0.130 0.000 1.120 114 S CA -0.262 57.848 58.200 -0.150 0.000 1.067 114 S CB -0.746 62.387 63.200 -0.113 0.000 1.057 114 S HN 0.687 nan 8.310 nan 0.000 0.518 115 V N 5.077 124.891 119.914 -0.168 0.000 2.638 115 V HA 0.384 4.504 4.120 0.000 0.000 0.306 115 V C -0.433 175.563 176.094 -0.163 0.000 1.052 115 V CA -0.759 61.378 62.300 -0.272 0.000 0.885 115 V CB 1.758 33.208 31.823 -0.622 0.000 0.999 115 V HN 0.883 nan 8.190 nan 0.000 0.424 116 D N 4.050 124.372 120.400 -0.130 0.000 2.689 116 D HA -0.181 4.460 4.640 0.000 0.000 0.237 116 D C 1.326 177.599 176.300 -0.045 0.000 1.148 116 D CA 1.846 55.800 54.000 -0.077 0.000 0.656 116 D CB -0.999 39.755 40.800 -0.076 0.000 1.050 116 D HN 1.472 nan 8.370 nan 0.000 0.426 117 G N -0.728 108.054 108.800 -0.029 0.000 2.175 117 G HA2 -0.366 3.595 3.960 0.000 0.000 0.265 117 G HA3 -0.366 3.595 3.960 0.000 0.000 0.265 117 G C 0.306 175.205 174.900 -0.002 0.000 0.979 117 G CA 0.960 46.059 45.100 -0.002 0.000 0.663 117 G HN 0.539 nan 8.290 nan 0.000 0.533 118 Q N -1.207 118.580 119.800 -0.021 0.000 2.359 118 Q HA 0.726 5.067 4.340 0.000 0.000 0.275 118 Q C -0.141 175.841 176.000 -0.029 0.000 1.082 118 Q CA -0.940 54.850 55.803 -0.021 0.000 0.849 118 Q CB 1.644 30.367 28.738 -0.026 0.000 1.377 118 Q HN 0.230 nan 8.270 nan 0.000 0.452 119 L N 3.005 124.210 121.223 -0.030 0.000 2.335 119 L HA 0.344 4.684 4.340 0.000 0.000 0.268 119 L C -1.260 175.587 176.870 -0.040 0.000 1.037 119 L CA -0.494 54.317 54.840 -0.050 0.000 0.895 119 L CB 0.388 42.412 42.059 -0.057 0.000 1.266 119 L HN 0.259 nan 8.230 nan 0.000 0.439 120 L N 4.627 125.844 121.223 -0.010 0.000 2.334 120 L HA 0.635 4.975 4.340 0.000 0.000 0.272 120 L C -2.188 174.671 176.870 -0.019 0.000 1.020 120 L CA -2.526 52.321 54.840 0.013 0.000 0.812 120 L CB 1.120 43.249 42.059 0.116 0.000 1.264 120 L HN 0.180 nan 8.230 nan 0.000 0.439 121 P HA 0.234 nan 4.420 nan 0.000 0.267 121 P C -0.921 176.287 177.300 -0.154 0.000 1.205 121 P CA 0.044 63.078 63.100 -0.109 0.000 0.765 121 P CB 0.616 32.248 31.700 -0.112 0.000 0.828 122 I N 5.443 125.930 120.570 -0.138 0.000 2.499 122 I HA 0.481 4.651 4.170 0.000 0.000 0.288 122 I C -2.678 173.389 176.117 -0.083 0.000 1.048 122 I CA -3.674 57.524 61.300 -0.170 0.000 1.062 122 I CB 1.791 39.704 38.000 -0.145 0.000 1.238 122 I HN 0.171 nan 8.210 nan 0.000 0.426 123 P HA 0.121 nan 4.420 nan 0.000 0.265 123 P C -0.403 176.770 177.300 -0.211 0.000 1.187 123 P CA 0.253 63.225 63.100 -0.213 0.000 0.766 123 P CB 0.207 31.770 31.700 -0.229 0.000 0.820 124 I N 2.996 123.420 120.570 -0.243 0.000 2.741 124 I HA -0.054 4.116 4.170 0.000 0.000 0.288 124 I C 1.181 177.251 176.117 -0.078 0.000 1.192 124 I CA 0.620 61.771 61.300 -0.248 0.000 1.426 124 I CB -0.258 37.604 38.000 -0.230 0.000 1.367 124 I HN 0.521 nan 8.210 nan 0.000 0.563 125 N N 6.021 124.686 118.700 -0.059 0.000 3.283 125 N HA 0.298 5.038 4.740 0.000 0.000 0.338 125 N C 0.432 175.940 175.510 -0.004 0.000 1.517 125 N CA -0.899 52.147 53.050 -0.007 0.000 0.733 125 N CB 0.557 39.007 38.487 -0.062 0.000 1.797 125 N HN 0.409 nan 8.380 nan 0.000 0.637 126 L N -0.077 121.123 121.223 -0.038 0.000 1.990 126 L HA -0.200 4.140 4.340 0.000 0.000 0.213 126 L C 0.768 177.582 176.870 -0.094 0.000 1.072 126 L CA 2.282 57.071 54.840 -0.085 0.000 0.755 126 L CB -0.537 41.462 42.059 -0.100 0.000 0.889 126 L HN 0.530 nan 8.230 nan 0.000 0.432 127 D N -0.903 119.447 120.400 -0.083 0.000 2.149 127 D HA -0.166 4.474 4.640 0.000 0.000 0.198 127 D C 2.003 178.253 176.300 -0.084 0.000 0.990 127 D CA 1.691 55.643 54.000 -0.080 0.000 0.839 127 D CB -0.282 40.474 40.800 -0.072 0.000 0.948 127 D HN 0.392 nan 8.370 nan 0.000 0.460 128 T N 0.832 115.333 114.554 -0.088 0.000 2.674 128 T HA -0.106 4.244 4.350 0.000 0.000 0.265 128 T C 2.330 176.970 174.700 -0.100 0.000 1.039 128 T CA 1.158 63.199 62.100 -0.098 0.000 1.150 128 T CB -0.432 68.330 68.868 -0.177 0.000 0.864 128 T HN -0.002 nan 8.240 nan 0.000 0.427 129 V N 2.426 122.285 119.914 -0.091 0.000 2.343 129 V HA -0.171 3.949 4.120 0.000 0.000 0.247 129 V C 2.483 178.486 176.094 -0.152 0.000 1.051 129 V CA 1.498 63.727 62.300 -0.118 0.000 1.036 129 V CB -0.689 31.032 31.823 -0.170 0.000 0.654 129 V HN 0.406 nan 8.190 nan 0.000 0.451 130 N N 0.497 119.113 118.700 -0.139 0.000 2.084 130 N HA -0.120 4.620 4.740 0.000 0.000 0.190 130 N C 2.019 177.480 175.510 -0.081 0.000 1.030 130 N CA 1.460 54.443 53.050 -0.112 0.000 0.849 130 N CB -0.332 38.094 38.487 -0.101 0.000 1.012 130 N HN 0.469 nan 8.380 nan 0.000 0.423 131 R N 0.119 120.569 120.500 -0.083 0.000 2.115 131 R HA -0.012 4.328 4.340 0.000 0.000 0.230 131 R C 2.001 178.254 176.300 -0.079 0.000 1.111 131 R CA 0.487 56.548 56.100 -0.065 0.000 0.976 131 R CB -0.263 30.004 30.300 -0.055 0.000 0.870 131 R HN 0.145 nan 8.270 nan 0.000 0.445 132 L N -0.719 120.415 121.223 -0.147 0.000 2.095 132 L HA -0.086 4.255 4.340 0.000 0.000 0.204 132 L C 1.138 177.872 176.870 -0.226 0.000 1.080 132 L CA 1.718 56.412 54.840 -0.243 0.000 0.759 132 L CB -0.044 41.759 42.059 -0.426 0.000 0.914 132 L HN 0.050 nan 8.230 nan 0.000 0.439 133 Y N -0.078 120.210 120.300 -0.019 0.000 2.458 133 Y HA 0.458 5.009 4.550 0.000 0.000 0.256 133 Y C 1.757 177.630 175.900 -0.044 0.000 1.159 133 Y CA -0.337 57.746 58.100 -0.029 0.000 1.261 133 Y CB -0.190 38.226 38.460 -0.073 0.000 1.119 133 Y HN 0.218 nan 8.280 nan 0.000 0.524 134 G N 0.776 109.615 108.800 0.066 0.000 2.147 134 G HA2 -0.281 3.679 3.960 0.000 0.000 0.244 134 G HA3 -0.281 3.679 3.960 0.000 0.000 0.244 134 G C 0.006 174.909 174.900 0.005 0.000 1.005 134 G CA 0.162 45.278 45.100 0.026 0.000 0.713 134 G HN 0.269 nan 8.290 nan 0.000 0.515 135 L N -0.565 120.650 121.223 -0.013 0.000 2.454 135 L HA 0.522 4.862 4.340 0.000 0.000 0.256 135 L C 1.089 177.917 176.870 -0.071 0.000 1.136 135 L CA -0.824 53.978 54.840 -0.063 0.000 0.804 135 L CB 0.724 42.698 42.059 -0.142 0.000 1.181 135 L HN 0.075 nan 8.230 nan 0.000 0.469 136 N N 1.114 119.769 118.700 -0.076 0.000 2.517 136 N HA 0.275 5.015 4.740 0.000 0.000 0.285 136 N C -0.706 174.763 175.510 -0.068 0.000 1.528 136 N CA -0.130 52.881 53.050 -0.063 0.000 0.892 136 N CB 0.578 39.041 38.487 -0.039 0.000 1.356 136 N HN 0.383 nan 8.380 nan 0.000 0.495 137 L N 1.021 122.181 121.223 -0.105 0.000 2.482 137 L HA 0.091 4.431 4.340 0.000 0.000 0.273 137 L C 1.575 178.404 176.870 -0.068 0.000 1.228 137 L CA 0.324 55.108 54.840 -0.094 0.000 0.827 137 L CB 0.069 42.030 42.059 -0.163 0.000 1.099 137 L HN 0.149 nan 8.230 nan 0.000 0.494 138 T N -2.194 112.345 114.554 -0.025 0.000 2.862 138 T HA 0.169 4.519 4.350 0.000 0.000 0.276 138 T C 1.137 175.775 174.700 -0.104 0.000 0.974 138 T CA -0.487 61.600 62.100 -0.022 0.000 0.966 138 T CB 1.505 70.444 68.868 0.118 0.000 1.072 138 T HN 0.522 nan 8.240 nan 0.000 0.538 139 S N 0.090 115.642 115.700 -0.247 0.000 2.392 139 S HA -0.087 4.384 4.470 0.000 0.000 0.232 139 S C 1.472 175.877 174.600 -0.325 0.000 1.041 139 S CA 1.572 59.552 58.200 -0.366 0.000 1.026 139 S CB -0.798 62.052 63.200 -0.583 0.000 0.845 139 S HN 0.667 nan 8.310 nan 0.000 0.465 140 F N 1.401 121.344 119.950 -0.012 0.000 2.259 140 F HA -0.020 4.507 4.527 0.000 0.000 0.298 140 F C 2.557 178.355 175.800 -0.003 0.000 1.088 140 F CA 0.658 58.657 58.000 -0.003 0.000 1.358 140 F CB -0.578 38.419 39.000 -0.005 0.000 1.040 140 F HN 0.211 nan 8.300 nan 0.000 0.505 141 Q N -0.473 119.406 119.800 0.133 0.000 2.212 141 Q HA -0.054 4.286 4.340 0.000 0.000 0.199 141 Q C 2.416 178.427 176.000 0.018 0.000 0.950 141 Q CA 0.854 56.700 55.803 0.072 0.000 0.863 141 Q CB -0.359 28.405 28.738 0.043 0.000 0.944 141 Q HN 0.323 nan 8.270 nan 0.000 0.465 142 V N 1.185 121.058 119.914 -0.067 0.000 2.626 142 V HA -0.265 3.856 4.120 0.000 0.000 0.252 142 V C 2.021 178.026 176.094 -0.147 0.000 1.067 142 V CA 1.969 64.149 62.300 -0.200 0.000 1.081 142 V CB -0.079 31.569 31.823 -0.293 0.000 0.686 142 V HN 0.377 nan 8.190 nan 0.000 0.468 143 E N -0.174 120.038 120.200 0.020 0.000 2.051 143 E HA -0.248 4.103 4.350 0.000 0.000 0.192 143 E C 2.149 178.832 176.600 0.139 0.000 0.991 143 E CA 1.775 58.257 56.400 0.137 0.000 0.799 143 E CB -0.155 29.616 29.700 0.118 0.000 0.748 143 E HN 0.750 nan 8.360 nan 0.000 0.449 144 E N -0.352 119.909 120.200 0.103 0.000 2.106 144 E HA -0.177 4.173 4.350 0.000 0.000 0.192 144 E C 1.861 178.514 176.600 0.088 0.000 0.984 144 E CA 0.847 57.300 56.400 0.089 0.000 0.806 144 E CB -0.197 29.550 29.700 0.079 0.000 0.750 144 E HN 0.310 nan 8.360 nan 0.000 0.458 145 F N 1.092 121.004 119.950 -0.064 0.000 2.075 145 F HA -0.230 4.297 4.527 0.000 0.000 0.297 145 F C 1.855 177.653 175.800 -0.003 0.000 1.113 145 F CA 1.283 59.226 58.000 -0.094 0.000 1.218 145 F CB -0.250 38.625 39.000 -0.209 0.000 0.984 145 F HN -0.122 nan 8.300 nan 0.000 0.472 146 F N 1.195 121.176 119.950 0.050 0.000 2.043 146 F HA -0.234 4.293 4.527 0.000 0.000 0.297 146 F C 2.751 178.474 175.800 -0.129 0.000 1.121 146 F CA 1.244 59.206 58.000 -0.063 0.000 1.199 146 F CB -1.776 37.256 39.000 0.054 0.000 0.968 146 F HN 0.116 nan 8.300 nan 0.000 0.478 147 A N -0.209 122.695 122.820 0.140 0.000 1.948 147 A HA -0.267 4.053 4.320 0.000 0.000 0.220 147 A C 2.427 179.993 177.584 -0.030 0.000 1.177 147 A CA 2.586 54.650 52.037 0.044 0.000 0.636 147 A CB -1.279 17.749 19.000 0.047 0.000 0.815 147 A HN 0.463 nan 8.150 nan 0.000 0.449 148 S N -0.241 115.408 115.700 -0.085 0.000 2.402 148 S HA -0.098 4.373 4.470 0.000 0.000 0.229 148 S C 1.615 176.111 174.600 -0.173 0.000 1.021 148 S CA 1.673 59.796 58.200 -0.128 0.000 0.974 148 S CB -0.832 62.278 63.200 -0.150 0.000 0.800 148 S HN 0.988 nan 8.310 nan 0.000 0.484 149 V N -1.092 118.672 119.914 -0.251 0.000 3.590 149 V HA 0.595 4.715 4.120 0.000 0.000 0.265 149 V C 1.316 177.348 176.094 -0.103 0.000 1.239 149 V CA -0.347 61.826 62.300 -0.212 0.000 1.117 149 V CB -1.431 30.198 31.823 -0.323 0.000 0.818 149 V HN 0.630 nan 8.190 nan 0.000 0.451 150 A N 1.102 123.877 122.820 -0.075 0.000 2.455 150 A HA 0.364 4.684 4.320 0.000 0.000 0.244 150 A C 0.249 177.795 177.584 -0.064 0.000 1.099 150 A CA 0.077 52.078 52.037 -0.060 0.000 0.786 150 A CB -0.052 18.918 19.000 -0.051 0.000 1.051 150 A HN 0.672 nan 8.150 nan 0.000 0.508 151 E N 0.283 120.440 120.200 -0.072 0.000 2.199 151 E HA 0.294 4.644 4.350 0.000 0.000 0.265 151 E C -0.721 175.838 176.600 -0.069 0.000 0.882 151 E CA -0.761 55.598 56.400 -0.069 0.000 0.759 151 E CB 1.815 31.467 29.700 -0.080 0.000 1.148 151 E HN 0.593 nan 8.360 nan 0.000 0.412 152 K N 1.896 122.262 120.400 -0.055 0.000 2.414 152 K HA 0.188 4.509 4.320 0.000 0.000 0.272 152 K C -0.904 175.662 176.600 -0.057 0.000 0.993 152 K CA -0.006 56.250 56.287 -0.051 0.000 0.964 152 K CB 0.613 33.089 32.500 -0.040 0.000 0.925 152 K HN 0.230 nan 8.250 nan 0.000 0.487 153 V N 4.115 123.995 119.914 -0.057 0.000 2.686 153 V HA 0.068 4.188 4.120 0.000 0.000 0.306 153 V C 0.710 176.777 176.094 -0.046 0.000 1.065 153 V CA -0.762 61.504 62.300 -0.057 0.000 0.894 153 V CB 1.650 33.430 31.823 -0.072 0.000 1.004 153 V HN 0.897 nan 8.190 nan 0.000 0.424 154 E N 2.105 122.281 120.200 -0.040 0.000 2.048 154 E HA -0.193 4.157 4.350 0.000 0.000 0.202 154 E C 0.604 177.185 176.600 -0.032 0.000 1.021 154 E CA 1.536 57.917 56.400 -0.032 0.000 0.825 154 E CB 0.232 29.915 29.700 -0.028 0.000 0.756 154 E HN 0.706 nan 8.360 nan 0.000 0.454 155 Q N -0.341 119.438 119.800 -0.034 0.000 2.305 155 Q HA 0.290 4.630 4.340 0.000 0.000 0.271 155 Q C -1.465 174.510 176.000 -0.041 0.000 1.046 155 Q CA -0.409 55.373 55.803 -0.034 0.000 0.798 155 Q CB 2.703 31.425 28.738 -0.027 0.000 1.286 155 Q HN -0.116 nan 8.270 nan 0.000 0.435 156 V N 5.049 124.935 119.914 -0.046 0.000 2.403 156 V HA 0.060 4.180 4.120 0.000 0.000 0.265 156 V C 0.722 176.789 176.094 -0.046 0.000 1.034 156 V CA 0.894 63.161 62.300 -0.055 0.000 1.036 156 V CB 0.116 31.903 31.823 -0.060 0.000 1.032 156 V HN 0.773 nan 8.190 nan 0.000 0.478 157 R N 2.108 122.580 120.500 -0.046 0.000 2.243 157 R HA 0.140 4.480 4.340 0.000 0.000 0.193 157 R C 1.075 177.352 176.300 -0.038 0.000 0.933 157 R CA 0.562 56.641 56.100 -0.036 0.000 1.105 157 R CB 0.286 30.569 30.300 -0.029 0.000 1.169 157 R HN 0.730 nan 8.270 nan 0.000 0.599 158 T N -2.320 112.208 114.554 -0.044 0.000 2.884 158 T HA 0.227 4.577 4.350 0.000 0.000 0.277 158 T C 0.998 175.670 174.700 -0.047 0.000 0.976 158 T CA -0.614 61.461 62.100 -0.042 0.000 0.956 158 T CB 1.751 70.600 68.868 -0.032 0.000 1.113 158 T HN -0.182 nan 8.240 nan 0.000 0.554 159 S N -0.747 114.934 115.700 -0.031 0.000 2.522 159 S HA 0.013 4.483 4.470 0.000 0.000 0.227 159 S C 1.721 176.334 174.600 0.021 0.000 0.986 159 S CA 0.522 58.712 58.200 -0.017 0.000 0.929 159 S CB -0.484 62.714 63.200 -0.004 0.000 0.769 159 S HN 0.829 nan 8.310 nan 0.000 0.529 160 E N 1.112 121.317 120.200 0.009 0.000 2.076 160 E HA -0.134 4.216 4.350 0.000 0.000 0.190 160 E C 0.997 177.456 176.600 -0.235 0.000 0.979 160 E CA 1.152 57.492 56.400 -0.099 0.000 0.807 160 E CB 0.025 29.645 29.700 -0.132 0.000 0.761 160 E HN 0.329 nan 8.360 nan 0.000 0.454 161 D N 0.544 120.850 120.400 -0.157 0.000 2.104 161 D HA -0.159 4.481 4.640 0.000 0.000 0.194 161 D C 2.132 178.338 176.300 -0.157 0.000 0.994 161 D CA 1.182 55.090 54.000 -0.153 0.000 0.830 161 D CB -0.394 40.343 40.800 -0.104 0.000 0.959 161 D HN 0.132 nan 8.370 nan 0.000 0.452 162 V N 0.818 120.647 119.914 -0.141 0.000 2.332 162 V HA -0.217 3.903 4.120 0.000 0.000 0.248 162 V C 2.583 178.551 176.094 -0.210 0.000 1.055 162 V CA 1.244 63.451 62.300 -0.155 0.000 1.038 162 V CB -0.508 31.228 31.823 -0.145 0.000 0.651 162 V HN 0.071 nan 8.190 nan 0.000 0.450 163 V N -1.226 118.540 119.914 -0.247 0.000 2.374 163 V HA -0.089 4.031 4.120 0.000 0.000 0.241 163 V C 2.356 178.328 176.094 -0.203 0.000 1.034 163 V CA 1.276 63.397 62.300 -0.299 0.000 1.037 163 V CB 0.008 31.643 31.823 -0.314 0.000 0.682 163 V HN 0.340 nan 8.190 nan 0.000 0.463 164 V N 1.408 121.173 119.914 -0.247 0.000 2.392 164 V HA -0.218 3.903 4.120 0.000 0.000 0.249 164 V C 2.548 178.544 176.094 -0.162 0.000 1.059 164 V CA 2.470 64.626 62.300 -0.241 0.000 1.051 164 V CB -0.427 31.158 31.823 -0.396 0.000 0.658 164 V HN 0.762 nan 8.190 nan 0.000 0.455 165 S N -1.899 113.704 115.700 -0.161 0.000 2.603 165 S HA 0.054 4.524 4.470 0.000 0.000 0.220 165 S C 1.527 176.052 174.600 -0.125 0.000 0.967 165 S CA 0.418 58.544 58.200 -0.125 0.000 0.920 165 S CB -0.014 63.120 63.200 -0.111 0.000 0.773 165 S HN 0.638 nan 8.310 nan 0.000 0.529 166 K N 0.451 120.753 120.400 -0.163 0.000 2.344 166 K HA 0.219 4.539 4.320 0.000 0.000 0.200 166 K C 1.183 177.609 176.600 -0.290 0.000 1.132 166 K CA 0.972 57.134 56.287 -0.210 0.000 0.935 166 K CB 0.785 33.133 32.500 -0.254 0.000 1.089 166 K HN 0.362 nan 8.250 nan 0.000 0.496 167 V N -2.493 117.267 119.914 -0.258 0.000 3.330 167 V HA 0.466 4.586 4.120 0.000 0.000 0.309 167 V C 0.320 176.445 176.094 0.052 0.000 1.481 167 V CA -0.028 62.137 62.300 -0.224 0.000 1.068 167 V CB 0.030 31.664 31.823 -0.314 0.000 0.935 167 V HN 0.355 nan 8.190 nan 0.000 0.453 168 G N 1.536 110.336 108.800 0.001 0.000 2.756 168 G HA2 -0.198 3.762 3.960 0.000 0.000 0.678 168 G HA3 -0.198 3.762 3.960 0.000 0.000 0.678 168 G C 0.096 175.046 174.900 0.083 0.000 1.349 168 G CA 0.336 45.452 45.100 0.026 0.000 0.847 168 G HN 0.643 nan 8.290 nan 0.000 0.548 169 R N 0.146 120.687 120.500 0.068 0.000 2.066 169 R HA 0.004 4.345 4.340 0.000 0.000 0.232 169 R C 2.185 178.632 176.300 0.245 0.000 1.131 169 R CA 2.581 58.752 56.100 0.118 0.000 0.955 169 R CB -0.847 29.491 30.300 0.063 0.000 0.851 169 R HN 0.689 nan 8.270 nan 0.000 0.432 170 D N -0.498 120.033 120.400 0.218 0.000 2.117 170 D HA -0.112 4.529 4.640 0.000 0.000 0.198 170 D C 1.860 178.362 176.300 0.336 0.000 0.982 170 D CA 1.235 55.390 54.000 0.259 0.000 0.828 170 D CB -0.006 40.947 40.800 0.254 0.000 0.967 170 D HN 0.306 nan 8.370 nan 0.000 0.464 171 L N -0.415 121.050 121.223 0.404 0.000 2.093 171 L HA -0.136 4.204 4.340 0.000 0.000 0.208 171 L C 2.234 179.411 176.870 0.511 0.000 1.085 171 L CA 1.023 56.157 54.840 0.490 0.000 0.755 171 L CB -0.591 41.766 42.059 0.496 0.000 0.904 171 L HN 0.242 nan 8.230 nan 0.000 0.435 172 Y N 1.081 121.560 120.300 0.298 0.000 2.181 172 Y HA -0.264 4.286 4.550 0.000 0.000 0.288 172 Y C 2.379 178.454 175.900 0.292 0.000 1.146 172 Y CA 1.724 60.003 58.100 0.299 0.000 1.164 172 Y CB -0.193 38.345 38.460 0.131 0.000 0.982 172 Y HN 0.193 nan 8.280 nan 0.000 0.515 173 N N 0.584 119.410 118.700 0.209 0.000 2.188 173 N HA -0.136 4.604 4.740 0.000 0.000 0.184 173 N C 1.579 177.088 175.510 -0.002 0.000 1.018 173 N CA 1.583 54.662 53.050 0.048 0.000 0.858 173 N CB -0.202 38.371 38.487 0.144 0.000 0.989 173 N HN 0.487 nan 8.380 nan 0.000 0.426 174 K N -0.696 119.729 120.400 0.043 0.000 2.076 174 K HA 0.038 4.358 4.320 0.000 0.000 0.204 174 K C 1.289 177.692 176.600 -0.328 0.000 1.051 174 K CA 0.888 57.082 56.287 -0.155 0.000 0.949 174 K CB -0.063 32.311 32.500 -0.210 0.000 0.726 174 K HN 0.163 nan 8.250 nan 0.000 0.443 175 F N -1.528 118.402 119.950 -0.032 0.000 2.678 175 F HA 0.164 4.691 4.527 0.000 0.000 0.291 175 F C 1.466 177.029 175.800 -0.395 0.000 1.123 175 F CA 0.257 58.118 58.000 -0.232 0.000 1.395 175 F CB 0.370 39.178 39.000 -0.319 0.000 1.121 175 F HN -0.120 nan 8.300 nan 0.000 0.592 176 F N -1.275 118.702 119.950 0.045 0.000 2.531 176 F HA 0.255 4.782 4.527 0.000 0.000 0.273 176 F C 2.321 178.047 175.800 -0.124 0.000 0.960 176 F CA 0.017 58.008 58.000 -0.015 0.000 1.207 176 F CB -0.474 38.510 39.000 -0.026 0.000 1.012 176 F HN -0.428 nan 8.300 nan 0.000 0.738 177 R N 0.795 121.136 120.500 -0.265 0.000 2.082 177 R HA -0.120 4.220 4.340 0.000 0.000 0.234 177 R C 2.323 178.597 176.300 -0.044 0.000 1.136 177 R CA 1.922 57.809 56.100 -0.355 0.000 0.935 177 R CB -1.076 28.887 30.300 -0.562 0.000 0.842 177 R HN 0.403 nan 8.270 nan 0.000 0.430 178 G N -0.460 108.324 108.800 -0.027 0.000 2.421 178 G HA2 -0.337 3.623 3.960 0.000 0.000 0.216 178 G HA3 -0.337 3.623 3.960 0.000 0.000 0.216 178 G C 1.354 176.291 174.900 0.062 0.000 1.171 178 G CA 0.876 45.984 45.100 0.013 0.000 0.775 178 G HN 0.496 nan 8.290 nan 0.000 0.543 179 Y N 1.720 122.009 120.300 -0.018 0.000 2.114 179 Y HA -0.205 4.345 4.550 0.001 0.000 0.282 179 Y C 3.166 179.115 175.900 0.083 0.000 1.165 179 Y CA 2.431 60.539 58.100 0.012 0.000 1.148 179 Y CB -0.320 38.131 38.460 -0.016 0.000 0.972 179 Y HN 0.208 nan 8.280 nan 0.000 0.504 180 T N 0.417 115.188 114.554 0.361 0.000 2.821 180 T HA -0.140 4.210 4.350 0.000 0.000 0.267 180 T C 1.858 176.725 174.700 0.279 0.000 1.046 180 T CA 1.406 63.760 62.100 0.423 0.000 1.139 180 T CB -0.212 68.914 68.868 0.431 0.000 0.871 180 T HN 0.320 nan 8.240 nan 0.000 0.454 181 R N 0.617 121.209 120.500 0.153 0.000 2.120 181 R HA -0.051 4.289 4.340 0.000 0.000 0.234 181 R C 2.454 178.782 176.300 0.048 0.000 1.123 181 R CA 1.219 57.382 56.100 0.104 0.000 0.975 181 R CB -0.089 30.248 30.300 0.061 0.000 0.866 181 R HN 0.264 nan 8.270 nan 0.000 0.446 182 K N 0.351 120.732 120.400 -0.031 0.000 2.021 182 K HA -0.163 4.157 4.320 0.000 0.000 0.205 182 K C 2.139 178.635 176.600 -0.174 0.000 1.047 182 K CA 1.174 57.390 56.287 -0.118 0.000 0.943 182 K CB 0.089 32.462 32.500 -0.211 0.000 0.725 182 K HN -0.109 nan 8.250 nan 0.000 0.439 183 Q N -0.918 118.717 119.800 -0.274 0.000 2.119 183 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 183 Q C 0.808 176.494 176.000 -0.523 0.000 0.972 183 Q CA 1.846 57.358 55.803 -0.486 0.000 0.847 183 Q CB -0.034 28.342 28.738 -0.604 0.000 0.903 183 Q HN 0.445 nan 8.270 nan 0.000 0.433 184 W N -1.527 119.730 121.300 -0.072 0.000 2.975 184 W HA 0.450 5.111 4.660 0.000 0.000 0.316 184 W C 1.001 177.515 176.519 -0.008 0.000 1.131 184 W CA 0.031 57.353 57.345 -0.038 0.000 1.624 184 W CB 0.432 29.893 29.460 0.000 0.000 1.038 184 W HN 0.198 nan 8.180 nan 0.000 0.571 185 G N 1.593 110.498 108.800 0.175 0.000 2.249 185 G HA2 -0.242 3.719 3.960 0.000 0.000 0.273 185 G HA3 -0.242 3.719 3.960 0.000 0.000 0.273 185 G C -0.739 174.246 174.900 0.142 0.000 1.036 185 G CA 0.205 45.376 45.100 0.119 0.000 0.824 185 G HN 0.134 nan 8.290 nan 0.000 0.504 186 L N -0.160 121.173 121.223 0.184 0.000 2.482 186 L HA 0.489 4.829 4.340 0.000 0.000 0.263 186 L C -0.131 176.820 176.870 0.135 0.000 0.957 186 L CA -1.077 53.848 54.840 0.141 0.000 0.836 186 L CB 1.877 44.016 42.059 0.133 0.000 1.324 186 L HN 0.225 nan 8.230 nan 0.000 0.406 187 D N 3.602 124.064 120.400 0.103 0.000 2.399 187 D HA 0.113 4.753 4.640 0.000 0.000 0.241 187 D C -1.771 174.598 176.300 0.114 0.000 1.133 187 D CA -1.205 52.864 54.000 0.115 0.000 0.890 187 D CB 2.087 42.950 40.800 0.105 0.000 1.201 187 D HN 0.300 nan 8.370 nan 0.000 0.432 188 P HA -0.149 nan 4.420 nan 0.000 0.218 188 P C 1.235 178.590 177.300 0.091 0.000 1.146 188 P CA 1.234 64.431 63.100 0.162 0.000 0.813 188 P CB 0.104 32.013 31.700 0.347 0.000 0.778 189 S N -0.921 114.834 115.700 0.092 0.000 2.461 189 S HA -0.068 4.403 4.470 0.000 0.000 0.228 189 S C 1.389 175.998 174.600 0.015 0.000 1.005 189 S CA 0.695 58.917 58.200 0.036 0.000 0.942 189 S CB -0.855 62.366 63.200 0.036 0.000 0.776 189 S HN 0.257 nan 8.310 nan 0.000 0.514 190 E N 0.772 120.985 120.200 0.022 0.000 2.368 190 E HA 0.396 4.746 4.350 0.000 0.000 0.188 190 E C -0.537 176.046 176.600 -0.028 0.000 1.061 190 E CA -0.092 56.312 56.400 0.007 0.000 0.933 190 E CB 0.089 29.805 29.700 0.027 0.000 1.091 190 E HN 0.483 nan 8.360 nan 0.000 0.458 191 L N 0.126 121.317 121.223 -0.054 0.000 2.393 191 L HA 0.316 4.657 4.340 0.000 0.000 0.260 191 L C -0.162 176.651 176.870 -0.096 0.000 1.002 191 L CA -1.024 53.741 54.840 -0.125 0.000 0.818 191 L CB 2.344 44.258 42.059 -0.243 0.000 1.369 191 L HN -0.022 nan 8.230 nan 0.000 0.412 192 D N 0.700 121.037 120.400 -0.105 0.000 2.423 192 D HA 0.067 4.708 4.640 0.000 0.000 0.238 192 D C 0.717 176.983 176.300 -0.057 0.000 1.142 192 D CA 0.525 54.488 54.000 -0.062 0.000 0.884 192 D CB 1.950 42.725 40.800 -0.042 0.000 1.199 192 D HN 0.713 nan 8.370 nan 0.000 0.438 193 A N 2.502 125.298 122.820 -0.041 0.000 1.986 193 A HA -0.233 4.087 4.320 0.000 0.000 0.220 193 A C 2.155 179.718 177.584 -0.035 0.000 1.171 193 A CA 2.247 54.258 52.037 -0.043 0.000 0.640 193 A CB -0.575 18.399 19.000 -0.043 0.000 0.811 193 A HN 0.646 nan 8.150 nan 0.000 0.451 194 S N -0.579 115.109 115.700 -0.021 0.000 2.442 194 S HA -0.107 4.364 4.470 0.000 0.000 0.236 194 S C 1.679 176.283 174.600 0.005 0.000 1.007 194 S CA 1.342 59.538 58.200 -0.007 0.000 0.965 194 S CB -0.805 62.402 63.200 0.012 0.000 0.773 194 S HN 0.263 nan 8.310 nan 0.000 0.504 195 V N 2.972 122.894 119.914 0.014 0.000 2.221 195 V HA -0.138 3.982 4.120 0.000 0.000 0.242 195 V C 3.159 179.331 176.094 0.129 0.000 1.041 195 V CA 2.199 64.553 62.300 0.089 0.000 0.995 195 V CB -1.588 30.214 31.823 -0.035 0.000 0.635 195 V HN 0.834 nan 8.190 nan 0.000 0.448 196 T N -1.098 113.513 114.554 0.095 0.000 3.051 196 T HA -0.010 4.340 4.350 0.000 0.000 0.269 196 T C 1.655 176.354 174.700 -0.003 0.000 1.127 196 T CA 1.165 63.324 62.100 0.099 0.000 1.107 196 T CB -0.293 68.558 68.868 -0.029 0.000 0.898 196 T HN 0.439 nan 8.240 nan 0.000 0.517 197 A N 1.926 124.732 122.820 -0.024 0.000 2.066 197 A HA 0.103 4.423 4.320 0.000 0.000 0.218 197 A C 2.498 180.063 177.584 -0.032 0.000 1.157 197 A CA 0.633 52.639 52.037 -0.050 0.000 0.670 197 A CB -0.540 18.431 19.000 -0.048 0.000 0.804 197 A HN 0.534 nan 8.150 nan 0.000 0.453 198 R N -0.694 119.803 120.500 -0.006 0.000 2.170 198 R HA -0.057 4.283 4.340 0.000 0.000 0.242 198 R C -0.267 176.008 176.300 -0.041 0.000 1.145 198 R CA 0.998 57.088 56.100 -0.016 0.000 0.984 198 R CB -0.302 29.990 30.300 -0.014 0.000 0.869 198 R HN 0.310 nan 8.270 nan 0.000 0.455 199 V N 3.833 123.738 119.914 -0.015 0.000 2.293 199 V HA 0.209 4.330 4.120 0.000 0.000 0.275 199 V C -1.991 174.072 176.094 -0.053 0.000 1.021 199 V CA -1.895 60.359 62.300 -0.076 0.000 0.815 199 V CB 1.203 33.062 31.823 0.061 0.000 1.025 199 V HN 0.054 nan 8.190 nan 0.000 0.448 200 P HA 0.259 nan 4.420 nan 0.000 0.278 200 P C -0.254 176.979 177.300 -0.112 0.000 1.238 200 P CA -0.118 62.916 63.100 -0.109 0.000 0.794 200 P CB 1.003 32.636 31.700 -0.112 0.000 0.955 201 T N 3.423 117.898 114.554 -0.132 0.000 2.806 201 T HA 0.366 4.717 4.350 0.000 0.000 0.290 201 T C 0.452 175.089 174.700 -0.106 0.000 0.966 201 T CA -0.556 61.452 62.100 -0.154 0.000 1.060 201 T CB 0.596 69.280 68.868 -0.306 0.000 0.927 201 T HN 0.313 nan 8.240 nan 0.000 0.485 202 R N 1.115 121.586 120.500 -0.048 0.000 2.732 202 R HA 0.518 4.858 4.340 0.000 0.000 0.278 202 R C 1.167 177.530 176.300 0.104 0.000 0.976 202 R CA -0.772 55.324 56.100 -0.006 0.000 0.963 202 R CB 0.910 31.182 30.300 -0.047 0.000 1.150 202 R HN 0.763 nan 8.270 nan 0.000 0.478 203 T N -2.892 111.708 114.554 0.077 0.000 3.022 203 T HA -0.021 4.329 4.350 0.000 0.000 0.250 203 T C 0.760 175.436 174.700 -0.041 0.000 1.060 203 T CA -0.181 61.967 62.100 0.080 0.000 1.013 203 T CB -0.204 68.703 68.868 0.064 0.000 0.982 203 T HN 0.602 nan 8.240 nan 0.000 0.508 204 N N 2.168 120.831 118.700 -0.061 0.000 2.385 204 N HA 0.207 4.947 4.740 0.000 0.000 0.291 204 N C 0.582 176.041 175.510 -0.084 0.000 1.298 204 N CA -0.779 52.212 53.050 -0.097 0.000 0.955 204 N CB 0.269 38.700 38.487 -0.093 0.000 1.096 204 N HN 0.194 nan 8.380 nan 0.000 0.543 205 R N -1.882 118.566 120.500 -0.087 0.000 2.509 205 R HA 0.212 4.553 4.340 0.000 0.000 0.300 205 R C -0.627 175.625 176.300 -0.079 0.000 0.985 205 R CA -0.526 55.526 56.100 -0.080 0.000 1.092 205 R CB -0.092 30.162 30.300 -0.077 0.000 1.237 205 R HN 0.533 nan 8.270 nan 0.000 0.546 206 D N 2.686 123.036 120.400 -0.082 0.000 2.487 206 D HA -0.064 4.576 4.640 0.000 0.000 0.243 206 D C 0.398 176.638 176.300 -0.099 0.000 1.154 206 D CA 0.539 54.487 54.000 -0.087 0.000 0.876 206 D CB 0.693 41.440 40.800 -0.089 0.000 1.161 206 D HN 0.246 nan 8.370 nan 0.000 0.478 207 N N 2.407 121.046 118.700 -0.102 0.000 2.197 207 N HA 0.020 4.760 4.740 0.000 0.000 0.228 207 N C -0.171 175.262 175.510 -0.129 0.000 1.212 207 N CA -0.380 52.602 53.050 -0.113 0.000 0.883 207 N CB 0.211 38.636 38.487 -0.103 0.000 1.107 207 N HN 0.120 nan 8.380 nan 0.000 0.519 208 R N -0.290 120.132 120.500 -0.130 0.000 2.582 208 R HA 0.143 4.483 4.340 0.000 0.000 0.271 208 R C 0.366 176.557 176.300 -0.182 0.000 1.078 208 R CA -0.469 55.544 56.100 -0.145 0.000 1.127 208 R CB 0.507 30.737 30.300 -0.115 0.000 1.038 208 R HN 0.029 nan 8.270 nan 0.000 0.500 209 Y N 0.999 121.034 120.300 -0.442 0.000 2.337 209 Y HA 0.105 4.655 4.550 0.000 0.000 0.293 209 Y C -0.244 175.154 175.900 -0.838 0.000 1.123 209 Y CA 0.893 58.575 58.100 -0.696 0.000 1.201 209 Y CB 0.431 38.323 38.460 -0.947 0.000 1.011 209 Y HN 0.372 nan 8.280 nan 0.000 0.545 210 F N -1.901 117.971 119.950 -0.129 0.000 2.546 210 F HA 0.586 5.113 4.527 0.000 0.000 0.320 210 F C 0.623 176.324 175.800 -0.165 0.000 1.076 210 F CA -0.777 57.086 58.000 -0.228 0.000 0.928 210 F CB 1.459 40.240 39.000 -0.365 0.000 1.189 210 F HN -0.234 nan 8.300 nan 0.000 0.465 211 A N 0.310 123.149 122.820 0.031 0.000 2.423 211 A HA 0.243 4.563 4.320 0.000 0.000 0.246 211 A C -0.207 177.356 177.584 -0.035 0.000 1.278 211 A CA -0.327 51.694 52.037 -0.026 0.000 0.903 211 A CB -0.780 18.186 19.000 -0.055 0.000 0.997 211 A HN 0.677 nan 8.150 nan 0.000 0.510 212 D N 0.090 120.490 120.400 -0.001 0.000 2.419 212 D HA 0.132 4.772 4.640 0.000 0.000 0.236 212 D C 1.310 177.525 176.300 -0.141 0.000 1.165 212 D CA 0.633 54.604 54.000 -0.048 0.000 0.882 212 D CB 0.702 41.493 40.800 -0.014 0.000 1.201 212 D HN 0.143 nan 8.370 nan 0.000 0.443 213 T N 0.600 115.014 114.554 -0.233 0.000 2.746 213 T HA -0.164 4.186 4.350 0.000 0.000 0.267 213 T C 0.392 174.674 174.700 -0.697 0.000 1.039 213 T CA 1.265 63.067 62.100 -0.496 0.000 1.142 213 T CB -0.229 68.219 68.868 -0.699 0.000 0.866 213 T HN 0.366 nan 8.240 nan 0.000 0.444 214 Y N 1.578 121.692 120.300 -0.309 0.000 2.464 214 Y HA 0.479 5.029 4.550 0.000 0.000 0.326 214 Y C 0.030 175.736 175.900 -0.323 0.000 0.969 214 Y CA -0.999 56.794 58.100 -0.512 0.000 1.270 214 Y CB 0.744 38.683 38.460 -0.868 0.000 1.103 214 Y HN 0.028 nan 8.280 nan 0.000 0.491 215 Q N 2.832 122.576 119.800 -0.093 0.000 2.327 215 Q HA 0.875 5.215 4.340 0.000 0.000 0.270 215 Q C -1.080 175.018 176.000 0.163 0.000 1.022 215 Q CA -0.933 54.901 55.803 0.051 0.000 0.773 215 Q CB 2.345 31.119 28.738 0.060 0.000 1.251 215 Q HN 0.746 nan 8.270 nan 0.000 0.457 216 A N 2.814 125.838 122.820 0.341 0.000 2.599 216 A HA 0.662 4.982 4.320 0.000 0.000 0.294 216 A C -1.507 176.508 177.584 0.718 0.000 1.055 216 A CA -0.777 51.550 52.037 0.484 0.000 0.683 216 A CB 1.439 20.685 19.000 0.410 0.000 1.278 216 A HN 0.545 nan 8.150 nan 0.000 0.412 217 M N 1.495 121.471 119.600 0.627 0.000 2.404 217 M HA 0.397 4.877 4.480 0.000 0.000 0.338 217 M C -2.572 173.895 176.300 0.279 0.000 1.150 217 M CA -2.384 53.188 55.300 0.453 0.000 1.016 217 M CB 0.902 33.638 32.600 0.226 0.000 1.672 217 M HN 0.307 nan 8.290 nan 0.000 0.448 218 P HA -0.016 nan 4.420 nan 0.000 0.263 218 P C 0.890 177.964 177.300 -0.377 0.000 1.195 218 P CA -0.130 62.635 63.100 -0.558 0.000 0.762 218 P CB 0.252 31.538 31.700 -0.690 0.000 0.799 219 L N 4.572 125.544 121.223 -0.418 0.000 2.051 219 L HA -0.211 4.129 4.340 0.000 0.000 0.214 219 L C 1.347 177.919 176.870 -0.498 0.000 1.076 219 L CA 2.166 56.739 54.840 -0.446 0.000 0.758 219 L CB -0.905 40.779 42.059 -0.623 0.000 0.890 219 L HN 0.480 nan 8.230 nan 0.000 0.433 220 H N -0.703 118.269 119.070 -0.163 0.000 2.486 220 H HA 0.547 5.103 4.556 0.000 0.000 0.284 220 H C 0.812 176.063 175.328 -0.128 0.000 1.103 220 H CA 0.396 56.381 56.048 -0.105 0.000 1.089 220 H CB -0.365 29.349 29.762 -0.081 0.000 1.603 220 H HN 0.359 nan 8.280 nan 0.000 0.557 221 G N -0.047 108.666 108.800 -0.145 0.000 2.663 221 G HA2 -0.248 3.712 3.960 0.000 0.000 0.686 221 G HA3 -0.248 3.712 3.960 0.000 0.000 0.686 221 G C 0.100 174.854 174.900 -0.244 0.000 1.246 221 G CA -0.572 44.409 45.100 -0.198 0.000 0.795 221 G HN 0.242 nan 8.290 nan 0.000 0.627 222 Y N 0.466 120.707 120.300 -0.099 0.000 2.181 222 Y HA -0.125 4.425 4.550 0.000 0.000 0.288 222 Y C 3.385 179.329 175.900 0.074 0.000 1.146 222 Y CA 2.468 60.547 58.100 -0.036 0.000 1.164 222 Y CB -0.302 38.172 38.460 0.024 0.000 0.982 222 Y HN 0.649 nan 8.280 nan 0.000 0.515 223 T N -0.116 114.516 114.554 0.130 0.000 2.746 223 T HA -0.144 4.206 4.350 0.000 0.000 0.267 223 T C 1.974 176.730 174.700 0.092 0.000 1.039 223 T CA 1.030 63.202 62.100 0.120 0.000 1.142 223 T CB -0.123 68.697 68.868 -0.080 0.000 0.866 223 T HN 0.219 nan 8.240 nan 0.000 0.444 224 R N 0.700 121.208 120.500 0.013 0.000 2.096 224 R HA 0.028 4.369 4.340 0.000 0.000 0.235 224 R C 2.430 178.697 176.300 -0.055 0.000 1.127 224 R CA 1.010 57.101 56.100 -0.015 0.000 0.968 224 R CB -0.622 29.669 30.300 -0.014 0.000 0.861 224 R HN 0.469 nan 8.270 nan 0.000 0.440 225 M N -0.309 119.223 119.600 -0.115 0.000 2.099 225 M HA -0.133 4.347 4.480 0.000 0.000 0.262 225 M C 1.697 177.833 176.300 -0.273 0.000 1.067 225 M CA 1.713 56.874 55.300 -0.231 0.000 1.124 225 M CB -0.196 32.178 32.600 -0.377 0.000 1.353 225 M HN -0.052 nan 8.290 nan 0.000 0.410 226 F N 1.081 120.918 119.950 -0.188 0.000 2.095 226 F HA -0.286 4.241 4.527 0.001 0.000 0.298 226 F C 2.607 178.289 175.800 -0.196 0.000 1.104 226 F CA 1.969 59.831 58.000 -0.230 0.000 1.232 226 F CB -0.698 38.178 39.000 -0.206 0.000 0.987 226 F HN 0.283 nan 8.300 nan 0.000 0.475 227 Q N 0.044 119.870 119.800 0.043 0.000 2.077 227 Q HA -0.244 4.096 4.340 0.000 0.000 0.206 227 Q C 2.035 178.001 176.000 -0.057 0.000 0.989 227 Q CA 1.694 57.493 55.803 -0.006 0.000 0.853 227 Q CB -0.401 28.339 28.738 0.004 0.000 0.907 227 Q HN 0.389 nan 8.270 nan 0.000 0.418 228 N N 0.554 119.213 118.700 -0.069 0.000 2.061 228 N HA -0.194 4.546 4.740 0.000 0.000 0.193 228 N C 1.606 177.026 175.510 -0.149 0.000 1.030 228 N CA 1.307 54.332 53.050 -0.041 0.000 0.856 228 N CB -0.319 38.195 38.487 0.045 0.000 1.023 228 N HN 0.258 nan 8.380 nan 0.000 0.424 229 M N 0.089 119.426 119.600 -0.438 0.000 2.213 229 M HA -0.044 4.437 4.480 0.000 0.000 0.263 229 M C 0.929 176.975 176.300 -0.422 0.000 1.062 229 M CA 1.282 56.047 55.300 -0.892 0.000 1.105 229 M CB 0.144 32.164 32.600 -0.968 0.000 1.385 229 M HN 0.039 nan 8.290 nan 0.000 0.417 230 L N -0.315 120.776 121.223 -0.221 0.000 2.653 230 L HA 0.105 4.446 4.340 0.000 0.000 0.231 230 L C 1.944 178.767 176.870 -0.079 0.000 1.153 230 L CA -0.031 54.732 54.840 -0.127 0.000 0.933 230 L CB -0.234 41.776 42.059 -0.083 0.000 1.175 230 L HN 0.365 nan 8.230 nan 0.000 0.473 231 S N -2.132 113.526 115.700 -0.070 0.000 2.489 231 S HA -0.055 4.415 4.470 0.000 0.000 0.228 231 S C 1.171 175.764 174.600 -0.013 0.000 0.995 231 S CA -0.074 58.108 58.200 -0.031 0.000 0.934 231 S CB -0.070 63.120 63.200 -0.016 0.000 0.771 231 S HN 0.317 nan 8.310 nan 0.000 0.522 232 S N 3.058 118.750 115.700 -0.014 0.000 2.558 232 S HA 0.141 4.611 4.470 0.000 0.000 0.291 232 S C -1.453 173.156 174.600 0.015 0.000 1.306 232 S CA -0.955 57.249 58.200 0.006 0.000 1.056 232 S CB 0.524 63.728 63.200 0.007 0.000 0.836 232 S HN 0.180 nan 8.310 nan 0.000 0.504 233 P HA -0.051 nan 4.420 nan 0.000 0.219 233 P C 0.547 177.878 177.300 0.050 0.000 1.146 233 P CA 0.909 64.028 63.100 0.033 0.000 0.808 233 P CB 0.012 31.731 31.700 0.032 0.000 0.779 234 N N -0.701 118.032 118.700 0.055 0.000 2.521 234 N HA 0.025 4.765 4.740 0.000 0.000 0.188 234 N C 0.367 175.928 175.510 0.084 0.000 1.146 234 N CA 0.501 53.600 53.050 0.082 0.000 0.893 234 N CB -0.142 38.395 38.487 0.084 0.000 0.975 234 N HN 0.281 nan 8.380 nan 0.000 0.451 235 I N 1.391 121.987 120.570 0.044 0.000 2.330 235 I HA 0.154 4.324 4.170 0.000 0.000 0.289 235 I C -0.263 175.859 176.117 0.009 0.000 1.001 235 I CA -0.735 60.571 61.300 0.011 0.000 1.193 235 I CB 1.079 39.060 38.000 -0.031 0.000 1.345 235 I HN -0.395 nan 8.210 nan 0.000 0.461 236 K N 6.251 126.646 120.400 -0.008 0.000 2.213 236 K HA 0.522 4.842 4.320 0.000 0.000 0.270 236 K C -0.754 175.790 176.600 -0.092 0.000 1.002 236 K CA -0.679 55.600 56.287 -0.014 0.000 0.868 236 K CB 2.093 34.623 32.500 0.051 0.000 1.093 236 K HN 0.234 nan 8.250 nan 0.000 0.454 237 V N 4.247 124.122 119.914 -0.065 0.000 2.398 237 V HA 0.434 4.554 4.120 0.000 0.000 0.286 237 V C -0.071 175.976 176.094 -0.079 0.000 1.026 237 V CA -0.693 61.555 62.300 -0.086 0.000 0.868 237 V CB 1.362 33.144 31.823 -0.068 0.000 0.982 237 V HN 0.702 nan 8.190 nan 0.000 0.443 238 M N 6.503 126.041 119.600 -0.104 0.000 2.093 238 M HA 0.601 5.081 4.480 0.000 0.000 0.297 238 M C -1.610 174.631 176.300 -0.098 0.000 0.938 238 M CA -0.372 54.877 55.300 -0.085 0.000 0.920 238 M CB 1.181 33.727 32.600 -0.090 0.000 1.517 238 M HN 0.520 nan 8.290 nan 0.000 0.427 239 L N 3.645 124.817 121.223 -0.085 0.000 2.334 239 L HA 0.561 4.901 4.340 0.000 0.000 0.270 239 L C 0.796 177.616 176.870 -0.083 0.000 1.018 239 L CA -0.645 54.131 54.840 -0.106 0.000 0.811 239 L CB 1.295 43.287 42.059 -0.111 0.000 1.271 239 L HN 0.904 nan 8.230 nan 0.000 0.443 240 N N -0.812 117.829 118.700 -0.098 0.000 2.782 240 N HA -0.162 4.578 4.740 0.000 0.000 0.251 240 N C -0.807 174.670 175.510 -0.055 0.000 1.101 240 N CA 1.234 54.242 53.050 -0.071 0.000 0.764 240 N CB -0.708 37.750 38.487 -0.048 0.000 1.122 240 N HN 0.807 nan 8.380 nan 0.000 0.561 241 T N 0.280 114.796 114.554 -0.064 0.000 2.791 241 T HA 0.167 4.517 4.350 0.000 0.000 0.288 241 T C -0.734 173.937 174.700 -0.048 0.000 0.999 241 T CA -0.708 61.362 62.100 -0.051 0.000 0.952 241 T CB 1.643 70.479 68.868 -0.053 0.000 0.938 241 T HN 0.090 nan 8.240 nan 0.000 0.444 242 D N 1.868 122.239 120.400 -0.049 0.000 2.389 242 D HA 0.011 4.651 4.640 0.000 0.000 0.247 242 D C 1.207 177.460 176.300 -0.080 0.000 1.128 242 D CA -0.341 53.630 54.000 -0.048 0.000 0.884 242 D CB 0.751 41.493 40.800 -0.096 0.000 1.194 242 D HN 0.718 nan 8.370 nan 0.000 0.441 243 Y N 3.628 123.875 120.300 -0.088 0.000 2.241 243 Y HA -0.166 4.384 4.550 0.001 0.000 0.286 243 Y C 2.009 177.834 175.900 -0.125 0.000 1.166 243 Y CA 0.980 59.006 58.100 -0.123 0.000 1.203 243 Y CB -0.269 38.124 38.460 -0.110 0.000 0.977 243 Y HN 0.303 nan 8.280 nan 0.000 0.529 244 R N 0.848 120.793 120.500 -0.925 0.000 2.152 244 R HA -0.115 4.225 4.340 0.000 0.000 0.232 244 R C 1.863 177.983 176.300 -0.301 0.000 1.117 244 R CA 1.540 57.238 56.100 -0.670 0.000 0.981 244 R CB -0.307 29.587 30.300 -0.677 0.000 0.870 244 R HN 0.606 nan 8.270 nan 0.000 0.451 245 E N 0.404 120.473 120.200 -0.218 0.000 2.338 245 E HA -0.141 4.209 4.350 0.000 0.000 0.197 245 E C 1.442 177.981 176.600 -0.101 0.000 1.007 245 E CA 1.071 57.417 56.400 -0.091 0.000 0.849 245 E CB 0.106 29.779 29.700 -0.045 0.000 0.774 245 E HN 0.527 nan 8.360 nan 0.000 0.506 246 I N -5.284 115.131 120.570 -0.258 0.000 4.557 246 I HA 0.376 4.546 4.170 0.000 0.000 0.333 246 I C 1.842 177.637 176.117 -0.537 0.000 1.332 246 I CA -0.141 60.791 61.300 -0.613 0.000 1.240 246 I CB 0.598 38.336 38.000 -0.436 0.000 1.312 246 I HN -0.160 nan 8.210 nan 0.000 0.457 247 A N 1.377 124.065 122.820 -0.219 0.000 2.024 247 A HA -0.180 4.140 4.320 0.000 0.000 0.220 247 A C 1.657 179.253 177.584 0.020 0.000 1.164 247 A CA 2.292 54.339 52.037 0.016 0.000 0.643 247 A CB -0.768 18.274 19.000 0.069 0.000 0.806 247 A HN 0.491 nan 8.150 nan 0.000 0.451 248 D N -1.338 119.023 120.400 -0.065 0.000 2.224 248 D HA -0.014 4.627 4.640 0.000 0.000 0.205 248 D C 1.037 177.418 176.300 0.135 0.000 0.965 248 D CA 1.526 55.559 54.000 0.054 0.000 0.852 248 D CB -0.083 40.796 40.800 0.132 0.000 0.947 248 D HN 0.747 nan 8.370 nan 0.000 0.494 249 F N -1.876 118.118 119.950 0.073 0.000 2.899 249 F HA 0.417 4.944 4.527 0.000 0.000 0.337 249 F C -0.258 175.602 175.800 0.101 0.000 1.129 249 F CA -0.690 57.348 58.000 0.063 0.000 1.128 249 F CB 0.013 39.038 39.000 0.041 0.000 1.154 249 F HN -0.299 nan 8.300 nan 0.000 0.531 250 I N 3.626 124.153 120.570 -0.071 0.000 2.362 250 I HA 0.403 4.573 4.170 0.000 0.000 0.289 250 I C -2.487 173.786 176.117 0.259 0.000 0.994 250 I CA -2.124 59.254 61.300 0.130 0.000 1.158 250 I CB 1.518 39.582 38.000 0.106 0.000 1.315 250 I HN -0.192 nan 8.210 nan 0.000 0.451 251 P HA 0.216 nan 4.420 nan 0.000 0.276 251 P C -1.091 176.376 177.300 0.277 0.000 1.243 251 P CA 0.150 63.311 63.100 0.101 0.000 0.768 251 P CB 0.129 31.848 31.700 0.031 0.000 0.856 252 F N 0.142 120.145 119.950 0.088 0.000 2.601 252 F HA 0.486 5.013 4.527 0.000 0.000 0.309 252 F C 0.797 176.605 175.800 0.015 0.000 1.089 252 F CA -0.980 57.077 58.000 0.094 0.000 0.940 252 F CB 1.008 40.070 39.000 0.103 0.000 1.273 252 F HN -0.008 nan 8.300 nan 0.000 0.450 253 Q N 0.895 120.756 119.800 0.102 0.000 2.062 253 Q HA 0.025 4.365 4.340 0.000 0.000 0.196 253 Q C -0.213 175.814 176.000 0.044 0.000 0.967 253 Q CA 1.583 57.375 55.803 -0.018 0.000 0.832 253 Q CB -0.196 28.506 28.738 -0.059 0.000 0.899 253 Q HN 0.881 nan 8.270 nan 0.000 0.442 254 H N -1.305 117.726 119.070 -0.064 0.000 2.768 254 H HA 0.548 5.104 4.556 0.001 0.000 0.371 254 H C -1.280 174.148 175.328 0.166 0.000 1.151 254 H CA -0.556 55.472 56.048 -0.033 0.000 1.165 254 H CB 1.588 31.144 29.762 -0.343 0.000 1.722 254 H HN -0.008 nan 8.280 nan 0.000 0.543 255 M N 5.628 125.202 119.600 -0.043 0.000 2.294 255 M HA 0.449 4.930 4.480 0.000 0.000 0.335 255 M C -1.603 174.716 176.300 0.032 0.000 1.079 255 M CA -0.668 54.603 55.300 -0.049 0.000 0.982 255 M CB 0.771 33.282 32.600 -0.148 0.000 1.651 255 M HN 0.577 nan 8.290 nan 0.000 0.437 256 I N 5.251 125.865 120.570 0.073 0.000 2.339 256 I HA 0.279 4.450 4.170 0.000 0.000 0.290 256 I C -1.487 174.539 176.117 -0.152 0.000 0.994 256 I CA -0.660 60.647 61.300 0.012 0.000 1.191 256 I CB 1.249 39.285 38.000 0.059 0.000 1.343 256 I HN 0.634 nan 8.210 nan 0.000 0.458 257 Y N 5.659 125.685 120.300 -0.457 0.000 2.341 257 Y HA 0.362 4.912 4.550 0.000 0.000 0.338 257 Y C 0.762 176.459 175.900 -0.338 0.000 0.965 257 Y CA -0.600 57.178 58.100 -0.536 0.000 1.108 257 Y CB 1.780 39.682 38.460 -0.931 0.000 1.180 257 Y HN 0.600 nan 8.280 nan 0.000 0.458 258 T N 1.597 115.671 114.554 -0.800 0.000 3.145 258 T HA 0.400 4.750 4.350 0.000 0.000 0.281 258 T C 0.691 174.991 174.700 -0.667 0.000 1.003 258 T CA 0.166 61.942 62.100 -0.540 0.000 0.901 258 T CB -0.514 68.198 68.868 -0.261 0.000 1.112 258 T HN 0.783 nan 8.240 nan 0.000 0.535 259 G N 2.317 110.310 108.800 -1.345 0.000 2.553 259 G HA2 0.554 4.514 3.960 0.000 0.000 0.278 259 G HA3 0.554 4.514 3.960 0.000 0.000 0.278 259 G C -2.797 171.970 174.900 -0.221 0.000 1.349 259 G CA -1.478 43.190 45.100 -0.720 0.000 1.037 259 G HN 0.266 nan 8.290 nan 0.000 0.508 260 P HA 0.151 nan 4.420 nan 0.000 0.275 260 P C 0.847 178.389 177.300 0.403 0.000 1.227 260 P CA -0.501 62.687 63.100 0.147 0.000 0.781 260 P CB 1.652 33.354 31.700 0.003 0.000 0.906 261 V N 2.613 122.787 119.914 0.434 0.000 2.453 261 V HA -0.182 3.938 4.120 0.000 0.000 0.247 261 V C 1.651 177.819 176.094 0.124 0.000 1.048 261 V CA 2.485 65.023 62.300 0.396 0.000 1.049 261 V CB -0.978 31.081 31.823 0.393 0.000 0.672 261 V HN 0.612 nan 8.190 nan 0.000 0.457 262 D N 1.149 121.467 120.400 -0.137 0.000 2.097 262 D HA -0.161 4.479 4.640 0.000 0.000 0.195 262 D C 2.073 178.098 176.300 -0.458 0.000 0.989 262 D CA 1.900 55.559 54.000 -0.568 0.000 0.827 262 D CB -0.927 39.698 40.800 -0.292 0.000 0.966 262 D HN 0.473 nan 8.370 nan 0.000 0.456 263 A N 0.189 122.752 122.820 -0.429 0.000 1.917 263 A HA -0.152 4.168 4.320 0.000 0.000 0.219 263 A C 2.214 179.543 177.584 -0.425 0.000 1.182 263 A CA 1.587 53.160 52.037 -0.773 0.000 0.633 263 A CB -1.480 17.430 19.000 -0.149 0.000 0.819 263 A HN 0.319 nan 8.150 nan 0.000 0.448 264 F N -0.938 118.799 119.950 -0.355 0.000 2.250 264 F HA -0.096 4.431 4.527 0.001 0.000 0.301 264 F C 0.917 176.339 175.800 -0.630 0.000 1.077 264 F CA 1.260 58.913 58.000 -0.578 0.000 1.348 264 F CB -0.051 38.382 39.000 -0.945 0.000 1.040 264 F HN 0.187 nan 8.300 nan 0.000 0.509 265 F N 0.764 120.713 119.950 -0.002 0.000 2.837 265 F HA 0.203 4.730 4.527 0.000 0.000 0.298 265 F C 0.177 175.908 175.800 -0.114 0.000 1.161 265 F CA -0.639 57.354 58.000 -0.012 0.000 1.353 265 F CB -0.396 38.690 39.000 0.143 0.000 0.951 265 F HN -0.146 nan 8.300 nan 0.000 0.508 266 D N -0.115 120.188 120.400 -0.161 0.000 2.751 266 D HA -0.291 4.349 4.640 0.000 0.000 0.233 266 D C 0.248 176.580 176.300 0.054 0.000 1.149 266 D CA 0.899 54.819 54.000 -0.133 0.000 0.682 266 D CB -1.877 38.923 40.800 -0.001 0.000 1.068 266 D HN 0.417 nan 8.370 nan 0.000 0.429 267 F N -2.939 117.131 119.950 0.200 0.000 3.097 267 F HA -0.397 4.130 4.527 0.000 0.000 0.278 267 F C 2.442 178.387 175.800 0.243 0.000 0.917 267 F CA 0.566 58.717 58.000 0.251 0.000 0.962 267 F CB -2.708 36.394 39.000 0.170 0.000 0.964 267 F HN 0.484 nan 8.300 nan 0.000 0.668 268 C N -2.179 117.269 119.300 0.246 0.000 2.403 268 C HA -0.228 4.232 4.460 0.000 0.000 0.279 268 C C 2.203 177.219 174.990 0.043 0.000 1.269 268 C CA 1.297 60.331 59.018 0.025 0.000 1.774 268 C CB -1.271 26.334 27.740 -0.225 0.000 1.993 268 C HN 0.535 nan 8.230 nan 0.000 0.496 269 Y N 2.650 123.028 120.300 0.130 0.000 2.457 269 Y HA 0.469 5.019 4.550 0.000 0.000 0.263 269 Y C 1.572 177.552 175.900 0.133 0.000 1.164 269 Y CA 0.071 58.147 58.100 -0.040 0.000 1.274 269 Y CB -0.791 37.372 38.460 -0.495 0.000 1.097 269 Y HN 0.784 nan 8.280 nan 0.000 0.523 270 G N 0.350 109.399 108.800 0.414 0.000 2.555 270 G HA2 -0.122 3.838 3.960 0.000 0.000 0.686 270 G HA3 -0.122 3.838 3.960 0.000 0.000 0.686 270 G C -1.181 173.968 174.900 0.414 0.000 1.275 270 G CA -1.308 43.990 45.100 0.330 0.000 0.871 270 G HN 0.043 nan 8.290 nan 0.000 0.603 271 K N 0.519 121.066 120.400 0.246 0.000 2.363 271 K HA 0.425 4.745 4.320 0.000 0.000 0.289 271 K C 0.863 177.594 176.600 0.219 0.000 1.063 271 K CA -0.445 55.973 56.287 0.218 0.000 0.967 271 K CB 0.189 32.721 32.500 0.052 0.000 0.987 271 K HN 0.539 nan 8.250 nan 0.000 0.473 272 L N 7.916 129.278 121.223 0.231 0.000 2.597 272 L HA 0.135 4.475 4.340 0.000 0.000 0.271 272 L C -1.957 174.908 176.870 -0.009 0.000 1.157 272 L CA -1.713 53.149 54.840 0.036 0.000 0.928 272 L CB 0.539 42.514 42.059 -0.140 0.000 1.216 272 L HN 0.567 nan 8.230 nan 0.000 0.481 273 P HA 0.108 nan 4.420 nan 0.000 0.271 273 P C -1.473 175.839 177.300 0.020 0.000 1.233 273 P CA 0.351 63.502 63.100 0.087 0.000 0.764 273 P CB 0.214 31.987 31.700 0.122 0.000 0.825 274 Y N 1.795 122.244 120.300 0.248 0.000 2.429 274 Y HA 0.554 5.105 4.550 0.000 0.000 0.342 274 Y C 1.040 177.052 175.900 0.186 0.000 1.004 274 Y CA -0.982 57.252 58.100 0.223 0.000 1.075 274 Y CB 1.705 40.267 38.460 0.171 0.000 1.214 274 Y HN 0.183 nan 8.280 nan 0.000 0.455 275 R N 1.056 121.778 120.500 0.371 0.000 2.459 275 R HA 0.588 4.929 4.340 0.000 0.000 0.281 275 R C -0.423 176.045 176.300 0.279 0.000 1.050 275 R CA -0.124 56.120 56.100 0.239 0.000 1.055 275 R CB 1.274 31.624 30.300 0.084 0.000 1.045 275 R HN 0.704 nan 8.270 nan 0.000 0.495 276 S N 2.162 117.981 115.700 0.200 0.000 2.751 276 S HA 0.774 5.244 4.470 0.000 0.000 0.310 276 S C -1.288 173.493 174.600 0.302 0.000 1.128 276 S CA -0.765 57.603 58.200 0.279 0.000 0.931 276 S CB 0.659 63.917 63.200 0.097 0.000 1.177 276 S HN 0.415 nan 8.310 nan 0.000 0.530 277 L N 1.165 122.632 121.223 0.407 0.000 2.376 277 L HA 0.638 4.979 4.340 0.000 0.000 0.258 277 L C -0.745 175.982 176.870 -0.238 0.000 1.013 277 L CA -0.644 54.180 54.840 -0.026 0.000 0.822 277 L CB 2.117 44.008 42.059 -0.279 0.000 1.388 277 L HN 0.656 nan 8.230 nan 0.000 0.413 278 E N 1.091 121.089 120.200 -0.337 0.000 2.199 278 E HA 0.502 4.852 4.350 0.000 0.000 0.265 278 E C -1.835 174.579 176.600 -0.310 0.000 0.882 278 E CA -0.581 55.647 56.400 -0.286 0.000 0.759 278 E CB 1.443 31.108 29.700 -0.059 0.000 1.148 278 E HN 0.342 nan 8.360 nan 0.000 0.412 279 F N 2.891 122.971 119.950 0.218 0.000 2.420 279 F HA 0.432 4.959 4.527 0.000 0.000 0.342 279 F C 0.626 176.501 175.800 0.125 0.000 1.113 279 F CA -0.939 57.150 58.000 0.147 0.000 1.059 279 F CB 1.249 40.296 39.000 0.079 0.000 1.128 279 F HN 0.243 nan 8.300 nan 0.000 0.475 280 R N 3.723 124.400 120.500 0.295 0.000 2.239 280 R HA 0.271 4.611 4.340 0.000 0.000 0.332 280 R C -0.888 175.491 176.300 0.132 0.000 0.988 280 R CA -0.512 55.717 56.100 0.215 0.000 0.859 280 R CB 0.247 30.686 30.300 0.231 0.000 1.148 280 R HN 0.711 nan 8.270 nan 0.000 0.482 281 H N 2.856 122.043 119.070 0.195 0.000 2.511 281 H HA 0.285 4.841 4.556 0.000 0.000 0.346 281 H C -0.526 174.848 175.328 0.077 0.000 1.128 281 H CA -0.033 56.101 56.048 0.144 0.000 1.342 281 H CB 1.671 31.483 29.762 0.084 0.000 1.470 281 H HN 0.592 nan 8.280 nan 0.000 0.546 282 E N 1.056 121.339 120.200 0.137 0.000 2.335 282 E HA 0.230 4.580 4.350 0.000 0.000 0.280 282 E C -1.136 175.344 176.600 -0.201 0.000 0.918 282 E CA -0.669 55.703 56.400 -0.047 0.000 0.765 282 E CB 2.182 31.836 29.700 -0.078 0.000 1.218 282 E HN 0.453 nan 8.360 nan 0.000 0.425 283 T N 1.747 116.162 114.554 -0.232 0.000 2.797 283 T HA 0.414 4.764 4.350 0.000 0.000 0.279 283 T C -0.804 173.719 174.700 -0.295 0.000 0.991 283 T CA -0.617 61.344 62.100 -0.233 0.000 0.979 283 T CB 0.618 69.423 68.868 -0.104 0.000 0.943 283 T HN 0.342 nan 8.240 nan 0.000 0.444 284 H N 0.647 119.729 119.070 0.020 0.000 2.492 284 H HA 0.319 4.875 4.556 0.000 0.000 0.345 284 H C -0.316 175.019 175.328 0.010 0.000 1.136 284 H CA -0.899 55.162 56.048 0.022 0.000 1.202 284 H CB 1.245 31.024 29.762 0.029 0.000 1.524 284 H HN 0.497 nan 8.280 nan 0.000 0.506 285 D N 2.033 122.528 120.400 0.159 0.000 2.767 285 D HA 0.065 4.705 4.640 0.000 0.000 0.231 285 D C -0.612 175.743 176.300 0.091 0.000 1.105 285 D CA 0.382 54.440 54.000 0.097 0.000 1.024 285 D CB -0.219 40.637 40.800 0.093 0.000 1.123 285 D HN 0.481 nan 8.370 nan 0.000 0.470 286 T N -0.690 113.918 114.554 0.090 0.000 2.886 286 T HA 0.139 4.489 4.350 0.000 0.000 0.330 286 T C 0.704 175.444 174.700 0.067 0.000 1.488 286 T CA -0.605 61.539 62.100 0.074 0.000 1.054 286 T CB 1.215 70.120 68.868 0.062 0.000 1.348 286 T HN 0.061 nan 8.240 nan 0.000 0.489 287 E N 0.858 121.093 120.200 0.057 0.000 2.028 287 E HA -0.016 4.334 4.350 0.000 0.000 0.191 287 E C 0.658 177.274 176.600 0.026 0.000 0.988 287 E CA 0.861 57.289 56.400 0.047 0.000 0.799 287 E CB 0.224 29.948 29.700 0.039 0.000 0.755 287 E HN 0.495 nan 8.360 nan 0.000 0.447 288 Q N -0.231 119.585 119.800 0.028 0.000 2.387 288 Q HA 0.328 4.668 4.340 0.000 0.000 0.273 288 Q C -0.366 175.672 176.000 0.062 0.000 1.089 288 Q CA -0.266 55.555 55.803 0.030 0.000 0.824 288 Q CB 1.942 30.688 28.738 0.013 0.000 1.367 288 Q HN 0.103 nan 8.270 nan 0.000 0.443 289 L N 2.051 123.329 121.223 0.092 0.000 2.885 289 L HA 0.444 4.784 4.340 0.000 0.000 0.251 289 L C -1.233 175.673 176.870 0.060 0.000 1.071 289 L CA 0.440 55.323 54.840 0.072 0.000 0.956 289 L CB 1.110 43.233 42.059 0.106 0.000 1.483 289 L HN 0.494 nan 8.230 nan 0.000 0.525 290 L N 0.731 122.013 121.223 0.099 0.000 2.354 290 L HA 0.483 4.823 4.340 0.000 0.000 0.264 290 L C -1.661 175.248 176.870 0.065 0.000 1.008 290 L CA -1.686 53.170 54.840 0.027 0.000 0.819 290 L CB 1.709 43.715 42.059 -0.088 0.000 1.339 290 L HN -0.247 nan 8.230 nan 0.000 0.420 291 P HA -0.034 nan 4.420 nan 0.000 0.221 291 P C 0.294 177.544 177.300 -0.084 0.000 1.150 291 P CA 0.933 64.028 63.100 -0.009 0.000 0.800 291 P CB 0.193 31.871 31.700 -0.037 0.000 0.787 292 T N -5.666 108.693 114.554 -0.324 0.000 2.654 292 T HA 0.558 4.908 4.350 0.000 0.000 0.289 292 T C 1.445 175.566 174.700 -0.965 0.000 1.062 292 T CA -0.087 61.686 62.100 -0.544 0.000 1.041 292 T CB 0.727 69.391 68.868 -0.340 0.000 1.417 292 T HN -0.095 nan 8.240 nan 0.000 0.510 293 G N 0.142 108.543 108.800 -0.664 0.000 2.408 293 G HA2 0.276 4.236 3.960 0.000 0.000 0.217 293 G HA3 0.276 4.236 3.960 0.000 0.000 0.217 293 G C 0.296 175.030 174.900 -0.277 0.000 1.150 293 G CA 0.821 45.706 45.100 -0.359 0.000 0.776 293 G HN 0.873 nan 8.290 nan 0.000 0.542 294 T N -0.573 113.774 114.554 -0.347 0.000 2.916 294 T HA 0.522 4.873 4.350 0.000 0.000 0.298 294 T C -1.171 173.349 174.700 -0.301 0.000 1.031 294 T CA -0.460 61.479 62.100 -0.269 0.000 0.993 294 T CB 2.850 71.616 68.868 -0.169 0.000 1.045 294 T HN -0.066 nan 8.240 nan 0.000 0.454 295 V N 3.566 123.319 119.914 -0.269 0.000 2.495 295 V HA 0.501 4.622 4.120 0.000 0.000 0.298 295 V C -0.367 175.519 176.094 -0.348 0.000 1.031 295 V CA -0.997 61.107 62.300 -0.327 0.000 0.871 295 V CB 1.873 33.488 31.823 -0.347 0.000 0.988 295 V HN 0.744 nan 8.190 nan 0.000 0.432 296 N N 2.437 120.927 118.700 -0.349 0.000 2.487 296 N HA 0.493 5.234 4.740 0.000 0.000 0.292 296 N C -1.153 174.157 175.510 -0.333 0.000 1.108 296 N CA -0.256 52.690 53.050 -0.173 0.000 0.956 296 N CB 1.071 39.492 38.487 -0.110 0.000 1.176 296 N HN 0.600 nan 8.380 nan 0.000 0.484 297 Y N 1.233 121.659 120.300 0.211 0.000 2.837 297 Y HA 0.298 4.848 4.550 0.000 0.000 0.356 297 Y C -1.551 174.420 175.900 0.117 0.000 1.035 297 Y CA -1.604 56.586 58.100 0.150 0.000 1.165 297 Y CB 1.511 40.089 38.460 0.196 0.000 1.147 297 Y HN 0.550 nan 8.280 nan 0.000 0.628 298 P HA -0.162 nan 4.420 nan 0.000 0.215 298 P C 0.374 177.700 177.300 0.043 0.000 1.157 298 P CA 1.759 64.957 63.100 0.165 0.000 0.874 298 P CB 0.388 32.079 31.700 -0.014 0.000 0.790 299 N N -1.567 117.134 118.700 0.001 0.000 2.241 299 N HA 0.120 4.860 4.740 0.000 0.000 0.238 299 N C -0.501 174.947 175.510 -0.103 0.000 1.244 299 N CA 0.160 53.176 53.050 -0.057 0.000 0.880 299 N CB 0.995 39.432 38.487 -0.084 0.000 1.179 299 N HN 0.203 nan 8.380 nan 0.000 0.513 300 D N 0.153 120.492 120.400 -0.101 0.000 2.581 300 D HA 0.353 4.993 4.640 0.000 0.000 0.232 300 D C -0.217 175.856 176.300 -0.379 0.000 1.143 300 D CA -0.186 53.607 54.000 -0.346 0.000 0.881 300 D CB 1.781 42.287 40.800 -0.490 0.000 1.500 300 D HN -0.162 nan 8.370 nan 0.000 0.458 301 Y N -0.552 119.530 120.300 -0.364 0.000 2.501 301 Y HA -0.273 4.277 4.550 0.000 0.000 0.184 301 Y C 1.232 176.844 175.900 -0.479 0.000 1.695 301 Y CA 0.191 57.934 58.100 -0.595 0.000 1.423 301 Y CB -1.101 36.544 38.460 -1.358 0.000 2.068 301 Y HN 0.506 nan 8.280 nan 0.000 0.253 302 A N 0.105 122.774 122.820 -0.252 0.000 1.975 302 A HA 0.113 4.433 4.320 0.000 0.000 0.215 302 A C 0.229 177.720 177.584 -0.155 0.000 1.170 302 A CA 1.258 53.257 52.037 -0.064 0.000 0.656 302 A CB -0.618 18.510 19.000 0.214 0.000 0.821 302 A HN 0.665 nan 8.150 nan 0.000 0.449 303 Y N -1.113 119.035 120.300 -0.253 0.000 2.299 303 Y HA 0.488 5.038 4.550 0.000 0.000 0.326 303 Y C 1.386 177.177 175.900 -0.181 0.000 1.164 303 Y CA -0.464 57.324 58.100 -0.520 0.000 1.234 303 Y CB -0.035 37.964 38.460 -0.767 0.000 1.219 303 Y HN 0.058 nan 8.280 nan 0.000 0.497 304 T N -0.172 114.363 114.554 -0.031 0.000 2.985 304 T HA 0.128 4.479 4.350 0.000 0.000 0.266 304 T C 0.281 175.113 174.700 0.219 0.000 1.076 304 T CA 0.719 62.781 62.100 -0.064 0.000 1.135 304 T CB -0.258 68.386 68.868 -0.374 0.000 0.890 304 T HN 0.873 nan 8.240 nan 0.000 0.480 305 R N -0.460 120.182 120.500 0.236 0.000 2.709 305 R HA 0.607 4.947 4.340 0.000 0.000 0.270 305 R C -2.162 174.136 176.300 -0.003 0.000 1.038 305 R CA -1.165 55.060 56.100 0.209 0.000 0.872 305 R CB 1.270 31.639 30.300 0.115 0.000 1.259 305 R HN 0.029 nan 8.270 nan 0.000 0.473 306 V N 0.219 120.060 119.914 -0.122 0.000 2.581 306 V HA 0.754 4.874 4.120 0.000 0.000 0.303 306 V C -0.267 175.617 176.094 -0.350 0.000 1.041 306 V CA -0.808 61.221 62.300 -0.452 0.000 0.907 306 V CB 1.712 33.161 31.823 -0.624 0.000 0.994 306 V HN 0.830 nan 8.190 nan 0.000 0.442 307 S N 1.910 117.354 115.700 -0.426 0.000 2.570 307 S HA 0.612 5.082 4.470 0.000 0.000 0.286 307 S C -0.857 173.426 174.600 -0.529 0.000 1.099 307 S CA -0.710 57.236 58.200 -0.423 0.000 0.913 307 S CB 2.143 65.087 63.200 -0.427 0.000 1.085 307 S HN 0.911 nan 8.310 nan 0.000 0.480 308 E N 1.159 121.119 120.200 -0.400 0.000 2.182 308 E HA 0.354 4.704 4.350 0.000 0.000 0.258 308 E C -0.480 176.005 176.600 -0.191 0.000 0.879 308 E CA -0.426 55.831 56.400 -0.238 0.000 0.754 308 E CB 0.464 30.204 29.700 0.066 0.000 1.162 308 E HN 0.581 nan 8.360 nan 0.000 0.419 309 F N 3.177 123.086 119.950 -0.068 0.000 2.216 309 F HA -0.104 4.423 4.527 0.000 0.000 0.300 309 F C 2.002 177.722 175.800 -0.134 0.000 1.085 309 F CA 0.859 58.764 58.000 -0.157 0.000 1.326 309 F CB 0.034 38.892 39.000 -0.236 0.000 1.027 309 F HN 0.420 nan 8.300 nan 0.000 0.497 310 K N -0.603 119.829 120.400 0.053 0.000 2.209 310 K HA -0.173 4.147 4.320 0.000 0.000 0.204 310 K C 1.809 178.359 176.600 -0.083 0.000 1.048 310 K CA 1.109 57.374 56.287 -0.036 0.000 0.940 310 K CB -0.375 32.086 32.500 -0.064 0.000 0.729 310 K HN 0.396 nan 8.250 nan 0.000 0.451 311 H N 0.411 119.448 119.070 -0.054 0.000 2.387 311 H HA -0.088 4.468 4.556 0.000 0.000 0.299 311 H C 2.138 177.328 175.328 -0.229 0.000 1.090 311 H CA 1.448 57.471 56.048 -0.043 0.000 1.332 311 H CB 0.032 29.808 29.762 0.023 0.000 1.386 311 H HN 0.175 nan 8.280 nan 0.000 0.516 312 I N 0.332 120.801 120.570 -0.167 0.000 2.339 312 I HA -0.166 4.004 4.170 0.000 0.000 0.245 312 I C 2.648 178.501 176.117 -0.441 0.000 1.096 312 I CA 1.467 62.441 61.300 -0.544 0.000 1.408 312 I CB -0.114 37.789 38.000 -0.162 0.000 1.092 312 I HN 0.259 nan 8.210 nan 0.000 0.423 313 T N -2.127 112.319 114.554 -0.180 0.000 3.014 313 T HA 0.170 4.521 4.350 0.000 0.000 0.263 313 T C 1.699 176.345 174.700 -0.090 0.000 1.078 313 T CA 0.667 62.703 62.100 -0.106 0.000 1.135 313 T CB 0.159 68.983 68.868 -0.074 0.000 0.895 313 T HN 0.510 nan 8.240 nan 0.000 0.480 314 G N 1.007 109.752 108.800 -0.092 0.000 2.157 314 G HA2 -0.287 3.674 3.960 0.000 0.000 0.248 314 G HA3 -0.287 3.674 3.960 0.000 0.000 0.248 314 G C -0.099 174.793 174.900 -0.012 0.000 0.979 314 G CA 0.214 45.290 45.100 -0.041 0.000 0.650 314 G HN 0.892 nan 8.290 nan 0.000 0.529 315 Q N 0.279 120.072 119.800 -0.012 0.000 2.315 315 Q HA 0.313 4.653 4.340 0.000 0.000 0.289 315 Q C 0.657 176.688 176.000 0.053 0.000 1.044 315 Q CA -0.123 55.699 55.803 0.032 0.000 0.920 315 Q CB 0.359 29.113 28.738 0.026 0.000 1.214 315 Q HN 0.519 nan 8.270 nan 0.000 0.392 316 R N 2.922 123.475 120.500 0.088 0.000 2.368 316 R HA 0.302 4.642 4.340 0.000 0.000 0.302 316 R C -1.097 175.314 176.300 0.185 0.000 1.002 316 R CA -0.266 55.893 56.100 0.098 0.000 0.929 316 R CB 0.801 31.141 30.300 0.068 0.000 1.073 316 R HN 0.747 nan 8.270 nan 0.000 0.464 317 H N 1.778 120.877 119.070 0.049 0.000 2.987 317 H HA 0.042 4.598 4.556 0.000 0.000 0.316 317 H C -0.081 175.301 175.328 0.090 0.000 1.380 317 H CA -0.413 55.683 56.048 0.079 0.000 1.160 317 H CB 1.181 30.958 29.762 0.025 0.000 1.865 317 H HN 0.922 nan 8.280 nan 0.000 0.521 318 H N 0.694 119.720 119.070 -0.074 0.000 2.525 318 H HA 0.214 4.770 4.556 0.000 0.000 0.275 318 H C -0.186 175.233 175.328 0.151 0.000 0.984 318 H CA 0.069 56.128 56.048 0.018 0.000 1.264 318 H CB 1.148 30.870 29.762 -0.066 0.000 1.432 318 H HN 0.412 nan 8.280 nan 0.000 0.549 319 Q N 0.189 119.959 119.800 -0.050 0.000 2.990 319 Q HA 0.526 4.866 4.340 0.000 0.000 0.255 319 Q C -0.743 175.266 176.000 0.014 0.000 1.040 319 Q CA -0.960 54.820 55.803 -0.039 0.000 0.897 319 Q CB 2.192 30.830 28.738 -0.167 0.000 1.429 319 Q HN 0.136 nan 8.270 nan 0.000 0.497 320 T N -0.367 114.167 114.554 -0.033 0.000 2.932 320 T HA 0.455 4.805 4.350 0.000 0.000 0.318 320 T C -1.654 173.016 174.700 -0.049 0.000 1.265 320 T CA -0.418 61.661 62.100 -0.035 0.000 1.036 320 T CB 1.575 70.462 68.868 0.031 0.000 1.209 320 T HN 0.403 nan 8.240 nan 0.000 0.484 321 S N 1.873 117.561 115.700 -0.022 0.000 2.502 321 S HA 0.799 5.270 4.470 0.000 0.000 0.304 321 S C -0.373 174.305 174.600 0.129 0.000 1.097 321 S CA -0.643 57.580 58.200 0.037 0.000 1.045 321 S CB 1.339 64.569 63.200 0.050 0.000 1.019 321 S HN 0.860 nan 8.310 nan 0.000 0.481 322 V N 0.861 120.804 119.914 0.049 0.000 3.074 322 V HA 0.973 5.093 4.120 0.000 0.000 0.314 322 V C -0.638 175.424 176.094 -0.054 0.000 1.117 322 V CA -0.810 61.428 62.300 -0.103 0.000 1.014 322 V CB 1.733 33.460 31.823 -0.160 0.000 1.057 322 V HN 0.593 nan 8.190 nan 0.000 0.438 323 V N 2.139 121.895 119.914 -0.263 0.000 2.760 323 V HA 0.665 4.786 4.120 0.000 0.000 0.309 323 V C -1.698 174.231 176.094 -0.275 0.000 1.077 323 V CA -0.482 61.695 62.300 -0.206 0.000 0.910 323 V CB 2.157 33.833 31.823 -0.246 0.000 1.008 323 V HN 0.884 nan 8.190 nan 0.000 0.424 324 Y N 3.664 123.866 120.300 -0.163 0.000 2.330 324 Y HA 0.562 5.113 4.550 0.000 0.000 0.336 324 Y C 0.521 176.364 175.900 -0.095 0.000 1.036 324 Y CA -0.448 57.502 58.100 -0.249 0.000 1.125 324 Y CB 1.592 39.781 38.460 -0.453 0.000 1.194 324 Y HN 0.573 nan 8.280 nan 0.000 0.469 325 E N 2.973 123.166 120.200 -0.011 0.000 2.156 325 E HA 0.264 4.614 4.350 0.000 0.000 0.279 325 E C -1.651 174.846 176.600 -0.171 0.000 0.965 325 E CA -0.694 55.716 56.400 0.018 0.000 0.789 325 E CB 1.074 30.823 29.700 0.082 0.000 1.098 325 E HN 0.494 nan 8.360 nan 0.000 0.397 326 Y N 2.874 123.160 120.300 -0.024 0.000 2.334 326 Y HA 0.278 4.828 4.550 0.001 0.000 0.336 326 Y C -2.218 173.623 175.900 -0.098 0.000 0.960 326 Y CA -2.825 55.260 58.100 -0.025 0.000 1.164 326 Y CB 1.213 39.668 38.460 -0.008 0.000 1.155 326 Y HN 0.404 nan 8.280 nan 0.000 0.478 327 P HA 0.250 nan 4.420 nan 0.000 0.271 327 P C -0.530 176.772 177.300 0.002 0.000 1.218 327 P CA -0.277 62.784 63.100 -0.066 0.000 0.780 327 P CB 0.823 32.427 31.700 -0.161 0.000 0.901 328 R N 1.372 121.876 120.500 0.007 0.000 2.771 328 R HA 0.582 4.922 4.340 0.000 0.000 0.274 328 R C 0.537 176.862 176.300 0.042 0.000 0.987 328 R CA -0.969 55.148 56.100 0.029 0.000 0.908 328 R CB 1.437 31.757 30.300 0.034 0.000 1.213 328 R HN 0.397 nan 8.270 nan 0.000 0.468 329 A N 0.815 123.663 122.820 0.046 0.000 2.030 329 A HA 0.046 4.367 4.320 0.000 0.000 0.215 329 A C 0.410 178.034 177.584 0.067 0.000 1.164 329 A CA 1.023 53.098 52.037 0.064 0.000 0.697 329 A CB 0.111 19.146 19.000 0.058 0.000 0.827 329 A HN 0.533 nan 8.150 nan 0.000 0.457 330 E N -1.762 118.467 120.200 0.049 0.000 2.227 330 E HA 0.571 4.922 4.350 0.000 0.000 0.268 330 E C 0.287 176.908 176.600 0.035 0.000 0.990 330 E CA 0.751 57.175 56.400 0.040 0.000 0.856 330 E CB 1.484 31.200 29.700 0.027 0.000 1.159 330 E HN 0.780 nan 8.360 nan 0.000 0.401 331 G N 1.653 110.465 108.800 0.020 0.000 2.373 331 G HA2 -0.106 3.854 3.960 0.000 0.000 0.634 331 G HA3 -0.106 3.854 3.960 0.000 0.000 0.634 331 G C -1.344 173.515 174.900 -0.069 0.000 1.267 331 G CA -0.795 44.306 45.100 0.002 0.000 1.008 331 G HN 0.527 nan 8.290 nan 0.000 0.497 332 D N 2.571 122.888 120.400 -0.139 0.000 2.531 332 D HA 0.352 4.992 4.640 0.000 0.000 0.239 332 D C -1.551 174.375 176.300 -0.624 0.000 1.144 332 D CA 0.135 53.935 54.000 -0.332 0.000 0.869 332 D CB 0.762 41.359 40.800 -0.338 0.000 1.160 332 D HN 0.312 nan 8.370 nan 0.000 0.484 333 P HA -0.021 nan 4.420 nan 0.000 0.267 333 P C -0.380 176.628 177.300 -0.487 0.000 1.209 333 P CA 0.406 63.260 63.100 -0.409 0.000 0.763 333 P CB 0.403 31.725 31.700 -0.630 0.000 0.816 334 Y N 1.400 121.720 120.300 0.034 0.000 2.736 334 Y HA 0.182 4.732 4.550 0.001 0.000 0.272 334 Y C 0.547 176.312 175.900 -0.226 0.000 1.118 334 Y CA -0.147 57.905 58.100 -0.081 0.000 1.248 334 Y CB 0.306 38.767 38.460 0.001 0.000 1.437 334 Y HN 0.179 nan 8.280 nan 0.000 0.481 335 Y N 1.458 121.872 120.300 0.190 0.000 2.377 335 Y HA 0.435 4.985 4.550 0.000 0.000 0.339 335 Y C -2.569 173.428 175.900 0.162 0.000 1.011 335 Y CA -3.473 54.657 58.100 0.051 0.000 1.093 335 Y CB 0.830 39.230 38.460 -0.099 0.000 1.201 335 Y HN -0.171 nan 8.280 nan 0.000 0.455 336 P HA 0.148 nan 4.420 nan 0.000 0.274 336 P C -0.906 176.346 177.300 -0.079 0.000 1.237 336 P CA -0.383 62.482 63.100 -0.392 0.000 0.793 336 P CB 0.884 31.981 31.700 -1.006 0.000 0.977 337 V N 2.929 122.807 119.914 -0.059 0.000 2.240 337 V HA 0.240 4.361 4.120 0.000 0.000 0.265 337 V C -2.244 173.829 176.094 -0.035 0.000 1.073 337 V CA -1.838 60.491 62.300 0.048 0.000 0.857 337 V CB 0.572 32.495 31.823 0.166 0.000 1.114 337 V HN 0.481 nan 8.190 nan 0.000 0.469 338 P HA 0.296 nan 4.420 nan 0.000 0.274 338 P C -0.267 176.997 177.300 -0.059 0.000 1.291 338 P CA 0.107 63.176 63.100 -0.051 0.000 0.815 338 P CB 0.184 31.860 31.700 -0.040 0.000 0.897 339 R N 2.970 123.475 120.500 0.009 0.000 2.680 339 R HA 0.466 4.807 4.340 0.000 0.000 0.269 339 R C -2.735 173.585 176.300 0.034 0.000 1.026 339 R CA -2.014 54.087 56.100 0.000 0.000 0.889 339 R CB 0.139 30.432 30.300 -0.012 0.000 1.241 339 R HN -0.081 nan 8.270 nan 0.000 0.463 340 P HA -0.300 nan 4.420 nan 0.000 0.217 340 P C 0.739 178.060 177.300 0.033 0.000 1.162 340 P CA 2.119 65.235 63.100 0.026 0.000 0.901 340 P CB 0.069 31.776 31.700 0.012 0.000 0.793 341 E N -1.506 118.711 120.200 0.030 0.000 2.268 341 E HA -0.149 4.201 4.350 0.000 0.000 0.195 341 E C 1.468 178.093 176.600 0.041 0.000 0.995 341 E CA 0.874 57.291 56.400 0.027 0.000 0.836 341 E CB -0.816 28.899 29.700 0.025 0.000 0.763 341 E HN 0.228 nan 8.360 nan 0.000 0.491 342 N N 1.280 120.020 118.700 0.067 0.000 2.333 342 N HA 0.033 4.773 4.740 0.000 0.000 0.178 342 N C 1.761 177.331 175.510 0.100 0.000 1.018 342 N CA 1.308 54.412 53.050 0.090 0.000 0.882 342 N CB -0.149 38.436 38.487 0.164 0.000 0.984 342 N HN 0.303 nan 8.380 nan 0.000 0.434 343 A N 0.777 123.675 122.820 0.130 0.000 1.969 343 A HA -0.095 4.225 4.320 0.000 0.000 0.218 343 A C 2.157 179.808 177.584 0.111 0.000 1.169 343 A CA 1.260 53.396 52.037 0.165 0.000 0.635 343 A CB -0.357 18.724 19.000 0.136 0.000 0.810 343 A HN 0.143 nan 8.150 nan 0.000 0.445 344 E N -0.056 120.174 120.200 0.049 0.000 2.031 344 E HA -0.135 4.216 4.350 0.000 0.000 0.193 344 E C 1.914 178.490 176.600 -0.039 0.000 0.994 344 E CA 1.076 57.473 56.400 -0.006 0.000 0.800 344 E CB -0.358 29.330 29.700 -0.019 0.000 0.752 344 E HN 0.543 nan 8.360 nan 0.000 0.447 345 L N -0.235 120.979 121.223 -0.015 0.000 2.042 345 L HA -0.239 4.101 4.340 0.000 0.000 0.210 345 L C 2.325 179.214 176.870 0.031 0.000 1.076 345 L CA 1.755 56.586 54.840 -0.016 0.000 0.749 345 L CB -0.324 41.764 42.059 0.049 0.000 0.893 345 L HN 0.348 nan 8.230 nan 0.000 0.432 346 Y N 0.678 120.932 120.300 -0.078 0.000 2.293 346 Y HA -0.266 4.284 4.550 0.000 0.000 0.291 346 Y C 2.393 178.295 175.900 0.004 0.000 1.137 346 Y CA 1.621 59.681 58.100 -0.067 0.000 1.202 346 Y CB -0.171 38.095 38.460 -0.323 0.000 0.990 346 Y HN 0.046 nan 8.280 nan 0.000 0.537 347 K N 0.431 120.681 120.400 -0.250 0.000 2.103 347 K HA -0.178 4.143 4.320 0.000 0.000 0.207 347 K C 2.115 178.507 176.600 -0.346 0.000 1.048 347 K CA 1.637 57.729 56.287 -0.324 0.000 0.930 347 K CB -0.054 32.358 32.500 -0.145 0.000 0.716 347 K HN 0.225 nan 8.250 nan 0.000 0.444 348 K N -0.006 120.188 120.400 -0.345 0.000 2.009 348 K HA -0.192 4.128 4.320 0.000 0.000 0.210 348 K C 2.199 178.630 176.600 -0.282 0.000 1.049 348 K CA 1.809 57.807 56.287 -0.482 0.000 0.929 348 K CB -0.473 31.466 32.500 -0.934 0.000 0.714 348 K HN 0.280 nan 8.250 nan 0.000 0.440 349 Y N 1.333 121.562 120.300 -0.117 0.000 2.224 349 Y HA -0.188 4.363 4.550 0.000 0.000 0.289 349 Y C 2.645 178.309 175.900 -0.394 0.000 1.146 349 Y CA 1.278 59.286 58.100 -0.153 0.000 1.182 349 Y CB -0.093 38.360 38.460 -0.012 0.000 0.983 349 Y HN 0.283 nan 8.280 nan 0.000 0.524 350 E N 0.257 120.178 120.200 -0.465 0.000 2.077 350 E HA -0.231 4.119 4.350 0.000 0.000 0.193 350 E C 2.378 178.803 176.600 -0.292 0.000 0.989 350 E CA 0.899 57.001 56.400 -0.496 0.000 0.800 350 E CB -0.176 29.093 29.700 -0.720 0.000 0.746 350 E HN 0.428 nan 8.360 nan 0.000 0.452 351 A N 1.204 123.870 122.820 -0.257 0.000 1.892 351 A HA -0.223 4.097 4.320 0.000 0.000 0.218 351 A C 2.204 179.677 177.584 -0.184 0.000 1.188 351 A CA 1.575 53.503 52.037 -0.180 0.000 0.631 351 A CB -0.842 18.058 19.000 -0.167 0.000 0.822 351 A HN 0.319 nan 8.150 nan 0.000 0.447 352 L N -1.022 120.029 121.223 -0.287 0.000 2.046 352 L HA -0.192 4.148 4.340 0.000 0.000 0.208 352 L C 3.118 179.822 176.870 -0.278 0.000 1.077 352 L CA 1.096 55.677 54.840 -0.432 0.000 0.747 352 L CB -0.588 40.858 42.059 -1.021 0.000 0.896 352 L HN 0.452 nan 8.230 nan 0.000 0.432 353 A N -0.110 122.528 122.820 -0.304 0.000 1.877 353 A HA -0.225 4.095 4.320 0.000 0.000 0.216 353 A C 1.973 179.532 177.584 -0.043 0.000 1.186 353 A CA 1.902 53.747 52.037 -0.319 0.000 0.620 353 A CB -0.558 17.859 19.000 -0.972 0.000 0.822 353 A HN 0.408 nan 8.150 nan 0.000 0.443 354 D N 0.212 120.579 120.400 -0.054 0.000 2.178 354 D HA -0.081 4.559 4.640 0.000 0.000 0.201 354 D C 2.140 178.481 176.300 0.069 0.000 0.980 354 D CA 1.374 55.396 54.000 0.037 0.000 0.842 354 D CB -0.270 40.534 40.800 0.007 0.000 0.948 354 D HN 0.466 nan 8.370 nan 0.000 0.472 355 A N 1.383 124.224 122.820 0.036 0.000 1.969 355 A HA 0.099 4.419 4.320 0.000 0.000 0.218 355 A C 1.508 179.169 177.584 0.128 0.000 1.169 355 A CA 0.889 52.961 52.037 0.058 0.000 0.635 355 A CB -0.417 18.590 19.000 0.013 0.000 0.810 355 A HN 0.216 nan 8.150 nan 0.000 0.445 356 A N 0.007 122.956 122.820 0.215 0.000 2.545 356 A HA 0.267 4.587 4.320 0.000 0.000 0.253 356 A C 1.162 178.870 177.584 0.207 0.000 1.074 356 A CA -0.095 52.117 52.037 0.292 0.000 0.760 356 A CB 0.176 19.469 19.000 0.490 0.000 1.005 356 A HN 0.438 nan 8.150 nan 0.000 0.506 357 Q N 1.208 121.099 119.800 0.153 0.000 2.020 357 Q HA -0.067 4.273 4.340 0.000 0.000 0.198 357 Q C 0.192 176.247 176.000 0.092 0.000 0.974 357 Q CA 1.536 57.406 55.803 0.113 0.000 0.829 357 Q CB 0.107 28.895 28.738 0.084 0.000 0.894 357 Q HN 0.827 nan 8.270 nan 0.000 0.433 358 D N 0.211 120.620 120.400 0.014 0.000 2.755 358 D HA 0.181 4.821 4.640 0.000 0.000 0.257 358 D C -0.908 175.065 176.300 -0.546 0.000 1.291 358 D CA 0.048 53.946 54.000 -0.171 0.000 0.836 358 D CB 1.034 41.775 40.800 -0.098 0.000 1.059 358 D HN -0.114 nan 8.370 nan 0.000 0.486 359 V N 0.982 120.736 119.914 -0.266 0.000 2.482 359 V HA 0.202 4.322 4.120 0.000 0.000 0.295 359 V C 0.253 176.325 176.094 -0.036 0.000 1.026 359 V CA -0.528 61.601 62.300 -0.285 0.000 0.856 359 V CB 2.067 33.742 31.823 -0.246 0.000 1.001 359 V HN -0.038 nan 8.190 nan 0.000 0.424 360 T N 5.951 120.565 114.554 0.100 0.000 2.771 360 T HA 0.588 4.939 4.350 0.000 0.000 0.291 360 T C -0.481 174.212 174.700 -0.013 0.000 0.954 360 T CA 0.054 62.295 62.100 0.235 0.000 1.045 360 T CB 0.223 69.306 68.868 0.358 0.000 0.917 360 T HN 0.272 nan 8.240 nan 0.000 0.484 361 F N 2.771 122.775 119.950 0.089 0.000 2.410 361 F HA 0.616 5.143 4.527 0.000 0.000 0.349 361 F C 0.352 176.214 175.800 0.103 0.000 1.117 361 F CA -0.895 57.156 58.000 0.085 0.000 1.104 361 F CB 1.221 40.287 39.000 0.109 0.000 1.122 361 F HN 0.224 nan 8.300 nan 0.000 0.483 362 V N 2.758 122.790 119.914 0.195 0.000 2.851 362 V HA 0.961 5.081 4.120 0.000 0.000 0.307 362 V C -0.582 175.583 176.094 0.120 0.000 1.129 362 V CA 0.189 62.589 62.300 0.166 0.000 0.932 362 V CB 1.388 33.283 31.823 0.121 0.000 1.024 362 V HN 1.202 nan 8.190 nan 0.000 0.426 363 G N 5.056 113.954 108.800 0.163 0.000 2.340 363 G HA2 0.038 3.999 3.960 0.000 0.000 0.527 363 G HA3 0.038 3.999 3.960 0.000 0.000 0.527 363 G C -0.010 174.985 174.900 0.158 0.000 1.381 363 G CA 0.034 45.220 45.100 0.144 0.000 1.001 363 G HN 1.346 nan 8.290 nan 0.000 0.626 364 R N -0.305 120.287 120.500 0.154 0.000 2.096 364 R HA 0.049 4.390 4.340 0.000 0.000 0.235 364 R C 1.940 178.289 176.300 0.082 0.000 1.127 364 R CA 1.959 58.127 56.100 0.113 0.000 0.968 364 R CB -0.316 30.064 30.300 0.134 0.000 0.861 364 R HN 0.522 nan 8.270 nan 0.000 0.440 365 L N 0.109 121.366 121.223 0.057 0.000 2.095 365 L HA 0.056 4.396 4.340 0.000 0.000 0.204 365 L C 2.784 179.775 176.870 0.203 0.000 1.080 365 L CA 0.984 55.861 54.840 0.061 0.000 0.759 365 L CB -0.561 41.418 42.059 -0.134 0.000 0.914 365 L HN 0.302 nan 8.230 nan 0.000 0.439 366 A N 0.075 122.989 122.820 0.156 0.000 1.930 366 A HA -0.168 4.152 4.320 0.000 0.000 0.217 366 A C 2.140 179.946 177.584 0.370 0.000 1.175 366 A CA 2.138 54.361 52.037 0.310 0.000 0.627 366 A CB -0.667 18.500 19.000 0.279 0.000 0.815 366 A HN 0.497 nan 8.150 nan 0.000 0.443 367 T N -7.539 107.163 114.554 0.246 0.000 3.129 367 T HA 0.222 4.572 4.350 0.000 0.000 0.267 367 T C 0.345 174.957 174.700 -0.146 0.000 1.018 367 T CA 0.266 62.475 62.100 0.181 0.000 0.903 367 T CB -0.332 68.653 68.868 0.194 0.000 1.067 367 T HN 0.654 nan 8.240 nan 0.000 0.549 368 Y N 2.318 122.465 120.300 -0.255 0.000 3.589 368 Y HA -0.259 4.291 4.550 0.000 0.000 0.218 368 Y C -0.202 175.504 175.900 -0.322 0.000 1.234 368 Y CA -0.034 57.849 58.100 -0.361 0.000 1.576 368 Y CB -1.645 36.272 38.460 -0.905 0.000 1.487 368 Y HN 0.443 nan 8.280 nan 0.000 0.616 369 R N 0.448 120.755 120.500 -0.321 0.000 2.407 369 R HA 0.249 4.589 4.340 0.000 0.000 0.303 369 R C -0.392 175.748 176.300 -0.265 0.000 0.981 369 R CA -0.971 54.828 56.100 -0.501 0.000 0.905 369 R CB 0.836 30.385 30.300 -1.251 0.000 1.099 369 R HN 0.195 nan 8.270 nan 0.000 0.459 370 Y N 3.807 123.957 120.300 -0.250 0.000 2.570 370 Y HA 0.104 4.654 4.550 0.001 0.000 0.336 370 Y C -1.090 174.892 175.900 0.136 0.000 1.284 370 Y CA -0.843 57.259 58.100 0.004 0.000 1.761 370 Y CB -0.491 38.028 38.460 0.098 0.000 1.724 370 Y HN 0.336 nan 8.280 nan 0.000 0.455 371 Y N 2.674 123.146 120.300 0.287 0.000 2.360 371 Y HA 0.301 4.852 4.550 0.000 0.000 0.337 371 Y C 0.472 176.438 175.900 0.110 0.000 1.039 371 Y CA -1.728 56.458 58.100 0.143 0.000 1.109 371 Y CB 0.823 39.336 38.460 0.089 0.000 1.201 371 Y HN 0.376 nan 8.280 nan 0.000 0.458 372 N N 3.116 121.917 118.700 0.169 0.000 2.444 372 N HA 0.117 4.857 4.740 0.000 0.000 0.255 372 N C 1.381 176.833 175.510 -0.097 0.000 1.255 372 N CA -0.082 52.971 53.050 0.005 0.000 0.933 372 N CB 0.632 39.017 38.487 -0.171 0.000 1.143 372 N HN 0.708 nan 8.380 nan 0.000 0.453 373 M N 0.366 119.877 119.600 -0.147 0.000 2.103 373 M HA -0.270 4.210 4.480 0.000 0.000 0.255 373 M C 1.434 177.512 176.300 -0.371 0.000 1.074 373 M CA 1.819 56.901 55.300 -0.364 0.000 1.090 373 M CB -0.343 32.046 32.600 -0.350 0.000 1.325 373 M HN 0.604 nan 8.290 nan 0.000 0.403 374 D N -0.487 119.774 120.400 -0.232 0.000 2.183 374 D HA -0.177 4.463 4.640 0.000 0.000 0.203 374 D C 1.646 177.837 176.300 -0.182 0.000 0.969 374 D CA 1.261 55.194 54.000 -0.113 0.000 0.842 374 D CB -0.568 40.111 40.800 -0.201 0.000 0.957 374 D HN 0.514 nan 8.370 nan 0.000 0.484 375 Q N 0.316 119.950 119.800 -0.277 0.000 2.119 375 Q HA -0.041 4.299 4.340 0.000 0.000 0.201 375 Q C 2.589 178.334 176.000 -0.425 0.000 0.972 375 Q CA 0.967 56.507 55.803 -0.438 0.000 0.847 375 Q CB 0.164 28.506 28.738 -0.660 0.000 0.903 375 Q HN 0.193 nan 8.270 nan 0.000 0.433 376 V N 0.140 119.921 119.914 -0.222 0.000 2.427 376 V HA -0.196 3.925 4.120 0.000 0.000 0.248 376 V C 2.185 178.266 176.094 -0.021 0.000 1.051 376 V CA 1.174 63.451 62.300 -0.038 0.000 1.048 376 V CB -0.305 31.574 31.823 0.093 0.000 0.666 376 V HN 0.176 nan 8.190 nan 0.000 0.456 377 V N 0.477 120.356 119.914 -0.059 0.000 2.343 377 V HA -0.271 3.849 4.120 0.000 0.000 0.247 377 V C 2.700 178.763 176.094 -0.051 0.000 1.051 377 V CA 2.116 64.419 62.300 0.005 0.000 1.036 377 V CB -1.054 30.797 31.823 0.048 0.000 0.654 377 V HN 0.566 nan 8.190 nan 0.000 0.451 378 A N -1.099 121.670 122.820 -0.085 0.000 1.930 378 A HA -0.271 4.049 4.320 0.000 0.000 0.217 378 A C 2.243 179.789 177.584 -0.064 0.000 1.175 378 A CA 1.856 53.839 52.037 -0.089 0.000 0.627 378 A CB -0.496 18.438 19.000 -0.109 0.000 0.815 378 A HN 0.581 nan 8.150 nan 0.000 0.443 379 Q N -0.761 119.001 119.800 -0.063 0.000 2.224 379 Q HA -0.058 4.282 4.340 0.000 0.000 0.203 379 Q C 2.046 178.075 176.000 0.048 0.000 0.970 379 Q CA 1.139 56.953 55.803 0.018 0.000 0.865 379 Q CB -0.205 28.585 28.738 0.087 0.000 0.922 379 Q HN 0.636 nan 8.270 nan 0.000 0.445 380 A N 0.165 123.001 122.820 0.026 0.000 1.935 380 A HA -0.014 4.306 4.320 0.000 0.000 0.214 380 A C 1.921 179.514 177.584 0.016 0.000 1.178 380 A CA 0.402 52.458 52.037 0.032 0.000 0.640 380 A CB -0.307 18.708 19.000 0.025 0.000 0.825 380 A HN 0.370 nan 8.150 nan 0.000 0.447 381 L N -0.625 120.574 121.223 -0.040 0.000 2.093 381 L HA -0.139 4.202 4.340 0.000 0.000 0.208 381 L C 3.013 179.924 176.870 0.068 0.000 1.085 381 L CA 1.008 55.828 54.840 -0.034 0.000 0.755 381 L CB -0.439 41.525 42.059 -0.158 0.000 0.904 381 L HN 0.409 nan 8.230 nan 0.000 0.435 382 A N -0.695 122.148 122.820 0.039 0.000 1.930 382 A HA -0.172 4.148 4.320 0.000 0.000 0.217 382 A C 2.377 180.000 177.584 0.065 0.000 1.175 382 A CA 2.131 54.197 52.037 0.047 0.000 0.627 382 A CB -0.806 18.217 19.000 0.039 0.000 0.815 382 A HN 0.330 nan 8.150 nan 0.000 0.443 383 T N -0.629 113.976 114.554 0.086 0.000 2.684 383 T HA -0.146 4.204 4.350 0.000 0.000 0.267 383 T C 1.588 176.349 174.700 0.102 0.000 1.036 383 T CA 1.681 63.838 62.100 0.096 0.000 1.148 383 T CB -0.422 68.509 68.868 0.105 0.000 0.863 383 T HN 0.482 nan 8.240 nan 0.000 0.436 384 F N 2.431 122.353 119.950 -0.047 0.000 2.065 384 F HA -0.174 4.353 4.527 0.000 0.000 0.298 384 F C 2.379 178.152 175.800 -0.045 0.000 1.112 384 F CA 1.518 59.476 58.000 -0.071 0.000 1.212 384 F CB -0.465 38.485 39.000 -0.084 0.000 0.975 384 F HN -0.014 nan 8.300 nan 0.000 0.476 385 R N -0.118 120.281 120.500 -0.167 0.000 2.117 385 R HA -0.173 4.167 4.340 0.000 0.000 0.243 385 R C 2.425 178.606 176.300 -0.198 0.000 1.143 385 R CA 1.779 57.719 56.100 -0.266 0.000 0.968 385 R CB -0.413 29.840 30.300 -0.079 0.000 0.863 385 R HN 0.343 nan 8.270 nan 0.000 0.444 386 R N 0.065 120.509 120.500 -0.093 0.000 2.081 386 R HA -0.092 4.249 4.340 0.000 0.000 0.235 386 R C 2.101 178.357 176.300 -0.074 0.000 1.131 386 R CA 0.956 57.025 56.100 -0.053 0.000 0.960 386 R CB -0.283 30.022 30.300 0.007 0.000 0.856 386 R HN 0.093 nan 8.270 nan 0.000 0.436 387 L N 1.284 122.450 121.223 -0.095 0.000 2.131 387 L HA -0.175 4.166 4.340 0.000 0.000 0.210 387 L C 2.208 179.001 176.870 -0.129 0.000 1.092 387 L CA 1.685 56.472 54.840 -0.089 0.000 0.759 387 L CB -0.852 41.166 42.059 -0.069 0.000 0.903 387 L HN 0.235 nan 8.230 nan 0.000 0.435 388 Q N -1.322 118.323 119.800 -0.259 0.000 2.389 388 Q HA 0.029 4.370 4.340 0.000 0.000 0.204 388 Q C 1.759 177.670 176.000 -0.148 0.000 0.944 388 Q CA 1.015 56.659 55.803 -0.265 0.000 0.908 388 Q CB 0.021 28.459 28.738 -0.501 0.000 1.002 388 Q HN 0.552 nan 8.270 nan 0.000 0.493 389 G N 0.235 108.966 108.800 -0.115 0.000 3.141 389 G HA2 0.027 3.987 3.960 0.000 0.000 0.218 389 G HA3 0.027 3.987 3.960 0.000 0.000 0.218 389 G C 0.322 175.201 174.900 -0.036 0.000 1.170 389 G CA -0.138 44.922 45.100 -0.067 0.000 0.769 389 G HN 0.143 nan 8.290 nan 0.000 0.546 390 Q N 0.346 120.126 119.800 -0.034 0.000 2.226 390 Q HA 0.531 4.871 4.340 0.000 0.000 0.256 390 Q C -2.011 173.989 176.000 -0.000 0.000 0.962 390 Q CA -1.352 54.446 55.803 -0.008 0.000 0.887 390 Q CB 2.069 30.807 28.738 -0.000 0.000 1.282 390 Q HN 0.199 nan 8.270 nan 0.000 0.449 391 P HA 0.000 nan 4.420 nan 0.000 0.216 391 P CA 0.000 63.109 63.100 0.015 0.000 0.800 391 P CB 0.000 31.707 31.700 0.013 0.000 0.726