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 3he3_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 QGQ 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 -0.090 0.000 0.988 28 K CA 0.000 56.244 56.287 -0.072 0.000 0.838 28 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 29 G N 0.666 109.357 108.800 -0.181 0.000 2.472 29 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.205 29 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.205 29 G C -1.048 173.627 174.900 -0.376 0.000 1.270 29 G CA -0.467 44.498 45.100 -0.225 0.000 0.974 29 G HN 0.026 nan 8.290 nan 0.000 0.542 30 F N 0.288 120.308 119.950 0.117 0.000 2.556 30 F HA 0.563 5.089 4.527 -0.000 0.000 0.327 30 F C 1.148 177.022 175.800 0.123 0.000 1.059 30 F CA -0.565 57.513 58.000 0.130 0.000 0.953 30 F CB 1.853 40.945 39.000 0.154 0.000 1.227 30 F HN 0.379 nan 8.300 nan 0.000 0.478 31 D N 0.080 120.678 120.400 0.330 0.000 2.183 31 D HA -0.056 4.583 4.640 -0.001 0.000 0.205 31 D C -0.586 175.712 176.300 -0.004 0.000 0.962 31 D CA 1.645 55.740 54.000 0.158 0.000 0.849 31 D CB 0.179 41.121 40.800 0.236 0.000 0.978 31 D HN 0.311 nan 8.370 nan 0.000 0.488 32 Y N -0.188 120.259 120.300 0.246 0.000 2.386 32 Y HA 0.330 4.879 4.550 -0.001 0.000 0.334 32 Y C -0.697 175.213 175.900 0.017 0.000 1.002 32 Y CA -1.141 57.058 58.100 0.165 0.000 1.068 32 Y CB 2.009 40.536 38.460 0.112 0.000 1.203 32 Y HN -0.261 nan 8.280 nan 0.000 0.443 33 L N 5.460 126.679 121.223 -0.008 0.000 2.262 33 L HA 0.627 4.966 4.340 -0.001 0.000 0.288 33 L C -1.252 175.473 176.870 -0.242 0.000 1.035 33 L CA -0.164 54.489 54.840 -0.311 0.000 0.820 33 L CB 0.132 41.689 42.059 -0.836 0.000 1.204 33 L HN 0.533 nan 8.230 nan 0.000 0.424 34 I N 5.951 126.407 120.570 -0.190 0.000 2.321 34 I HA 0.312 4.482 4.170 -0.001 0.000 0.291 34 I C -0.559 175.433 176.117 -0.209 0.000 0.998 34 I CA -0.851 60.350 61.300 -0.164 0.000 1.227 34 I CB 1.684 39.612 38.000 -0.120 0.000 1.368 34 I HN 0.288 nan 8.210 nan 0.000 0.466 35 V N 5.784 125.556 119.914 -0.237 0.000 2.364 35 V HA 0.749 4.868 4.120 -0.001 0.000 0.272 35 V C 0.522 176.449 176.094 -0.280 0.000 1.036 35 V CA -0.385 61.767 62.300 -0.246 0.000 0.880 35 V CB 0.434 32.089 31.823 -0.280 0.000 0.991 35 V HN 1.072 nan 8.190 nan 0.000 0.460 36 G N 4.030 112.690 108.800 -0.234 0.000 2.911 36 G HA2 0.312 4.272 3.960 -0.001 0.000 0.686 36 G HA3 0.312 4.272 3.960 -0.001 0.000 0.686 36 G C -0.141 174.624 174.900 -0.225 0.000 1.136 36 G CA -0.221 44.732 45.100 -0.245 0.000 0.764 36 G HN 1.499 nan 8.290 nan 0.000 0.626 37 A N 1.466 124.134 122.820 -0.253 0.000 2.637 37 A HA 0.780 5.099 4.320 -0.001 0.000 0.293 37 A C 1.472 178.841 177.584 -0.358 0.000 1.216 37 A CA 1.201 53.077 52.037 -0.268 0.000 0.956 37 A CB -0.169 18.664 19.000 -0.278 0.000 1.174 37 A HN 2.177 nan 8.150 nan 0.000 0.525 38 G N -1.029 107.598 108.800 -0.288 0.000 2.485 38 G HA2 0.347 4.306 3.960 -0.001 0.000 0.260 38 G HA3 0.347 4.306 3.960 -0.001 0.000 0.260 38 G C 0.644 175.486 174.900 -0.095 0.000 1.459 38 G CA -0.299 44.630 45.100 -0.284 0.000 1.060 38 G HN 0.170 nan 8.290 nan 0.000 0.546 39 F N 0.757 120.786 119.950 0.130 0.000 2.102 39 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 39 F C 3.104 178.970 175.800 0.110 0.000 1.105 39 F CA 1.835 59.983 58.000 0.246 0.000 1.239 39 F CB -0.296 38.839 39.000 0.224 0.000 0.991 39 F HN 0.333 nan 8.300 nan 0.000 0.474 40 A N 0.219 123.182 122.820 0.239 0.000 1.892 40 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 40 A C 2.504 180.112 177.584 0.040 0.000 1.188 40 A CA 2.114 54.223 52.037 0.119 0.000 0.631 40 A CB -1.648 17.395 19.000 0.071 0.000 0.822 40 A HN 0.430 nan 8.150 nan 0.000 0.447 41 G N -1.420 107.369 108.800 -0.018 0.000 2.394 41 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.215 41 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.215 41 G C 1.812 176.677 174.900 -0.059 0.000 1.165 41 G CA 1.208 46.264 45.100 -0.072 0.000 0.784 41 G HN 0.495 nan 8.290 nan 0.000 0.535 42 S N 0.131 115.817 115.700 -0.023 0.000 2.355 42 S HA -0.084 4.386 4.470 -0.001 0.000 0.222 42 S C 2.526 177.104 174.600 -0.037 0.000 1.031 42 S CA 1.042 59.230 58.200 -0.019 0.000 0.993 42 S CB -0.257 62.998 63.200 0.091 0.000 0.859 42 S HN 0.161 nan 8.310 nan 0.000 0.453 43 V N 2.064 121.995 119.914 0.027 0.000 2.332 43 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 43 V C 2.184 178.231 176.094 -0.079 0.000 1.055 43 V CA 1.618 63.931 62.300 0.022 0.000 1.038 43 V CB -0.676 31.186 31.823 0.064 0.000 0.651 43 V HN 0.375 nan 8.190 nan 0.000 0.450 44 L N -0.211 120.962 121.223 -0.084 0.000 2.093 44 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 44 L C 2.656 179.419 176.870 -0.178 0.000 1.085 44 L CA 1.419 56.176 54.840 -0.138 0.000 0.755 44 L CB -0.675 41.336 42.059 -0.080 0.000 0.904 44 L HN 0.328 nan 8.230 nan 0.000 0.435 45 A N -0.633 122.107 122.820 -0.133 0.000 1.902 45 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 45 A C 2.326 179.836 177.584 -0.124 0.000 1.181 45 A CA 1.796 53.760 52.037 -0.122 0.000 0.623 45 A CB -0.459 18.480 19.000 -0.102 0.000 0.818 45 A HN 0.403 nan 8.150 nan 0.000 0.443 46 E N 0.057 120.176 120.200 -0.134 0.000 2.028 46 E HA -0.193 4.157 4.350 -0.001 0.000 0.191 46 E C 2.244 178.760 176.600 -0.140 0.000 0.988 46 E CA 0.943 57.273 56.400 -0.116 0.000 0.799 46 E CB -0.240 29.376 29.700 -0.140 0.000 0.755 46 E HN 0.454 nan 8.360 nan 0.000 0.447 47 R N 0.242 120.566 120.500 -0.292 0.000 2.083 47 R HA -0.133 4.206 4.340 -0.001 0.000 0.237 47 R C 2.474 178.488 176.300 -0.478 0.000 1.137 47 R CA 0.678 56.379 56.100 -0.665 0.000 0.951 47 R CB -0.984 28.362 30.300 -1.590 0.000 0.851 47 R HN 0.216 nan 8.270 nan 0.000 0.434 48 L N 0.774 121.815 121.223 -0.305 0.000 2.046 48 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 48 L C 2.497 179.365 176.870 -0.004 0.000 1.077 48 L CA 1.878 56.667 54.840 -0.085 0.000 0.747 48 L CB -1.325 40.591 42.059 -0.238 0.000 0.896 48 L HN 0.168 nan 8.230 nan 0.000 0.432 49 A N -1.037 121.766 122.820 -0.028 0.000 1.969 49 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 49 A C 2.400 180.006 177.584 0.036 0.000 1.169 49 A CA 1.695 53.746 52.037 0.023 0.000 0.635 49 A CB -0.673 18.333 19.000 0.009 0.000 0.810 49 A HN 0.545 nan 8.150 nan 0.000 0.445 50 S N -0.187 115.523 115.700 0.016 0.000 2.527 50 S HA -0.033 4.437 4.470 -0.001 0.000 0.222 50 S C 1.642 176.287 174.600 0.075 0.000 0.985 50 S CA 1.066 59.290 58.200 0.039 0.000 0.921 50 S CB -0.467 62.750 63.200 0.028 0.000 0.772 50 S HN 0.828 nan 8.310 nan 0.000 0.529 51 S N -0.094 115.668 115.700 0.104 0.000 2.575 51 S HA 0.505 4.974 4.470 -0.001 0.000 0.215 51 S C 1.502 176.174 174.600 0.120 0.000 0.966 51 S CA 0.444 58.734 58.200 0.150 0.000 0.911 51 S CB -0.239 63.108 63.200 0.246 0.000 0.780 51 S HN 1.375 nan 8.310 nan 0.000 0.514 52 G N 0.362 109.223 108.800 0.102 0.000 2.201 52 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.212 52 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.212 52 G C -0.093 174.876 174.900 0.115 0.000 0.994 52 G CA -0.243 44.914 45.100 0.095 0.000 0.644 52 G HN 0.485 nan 8.290 nan 0.000 0.508 53 Q N 0.369 120.255 119.800 0.143 0.000 2.394 53 Q HA 0.404 4.743 4.340 -0.001 0.000 0.248 53 Q C 0.580 176.695 176.000 0.192 0.000 0.992 53 Q CA 0.121 56.043 55.803 0.198 0.000 0.888 53 Q CB 0.588 29.483 28.738 0.263 0.000 1.257 53 Q HN 0.503 nan 8.270 nan 0.000 0.462 54 R N 0.614 121.258 120.500 0.241 0.000 2.202 54 R HA 0.386 4.726 4.340 -0.001 0.000 0.334 54 R C -0.712 175.814 176.300 0.377 0.000 1.036 54 R CA -0.299 55.974 56.100 0.287 0.000 0.878 54 R CB 0.736 31.198 30.300 0.269 0.000 1.067 54 R HN 0.224 nan 8.270 nan 0.000 0.457 55 V N 5.234 125.305 119.914 0.261 0.000 2.417 55 V HA 0.282 4.402 4.120 -0.001 0.000 0.291 55 V C -0.672 175.362 176.094 -0.101 0.000 1.024 55 V CA -0.925 61.446 62.300 0.118 0.000 0.861 55 V CB 1.629 33.475 31.823 0.038 0.000 0.985 55 V HN 0.480 nan 8.190 nan 0.000 0.436 56 L N 6.705 127.671 121.223 -0.428 0.000 2.280 56 L HA 0.642 4.982 4.340 -0.001 0.000 0.287 56 L C -0.620 176.032 176.870 -0.363 0.000 1.023 56 L CA 0.090 54.523 54.840 -0.679 0.000 0.819 56 L CB 1.010 42.214 42.059 -1.424 0.000 1.212 56 L HN 0.670 nan 8.230 nan 0.000 0.420 57 I N 5.444 125.862 120.570 -0.253 0.000 2.354 57 I HA 0.562 4.732 4.170 -0.001 0.000 0.292 57 I C -1.121 174.883 176.117 -0.188 0.000 0.989 57 I CA -0.530 60.652 61.300 -0.197 0.000 1.188 57 I CB 1.587 39.495 38.000 -0.154 0.000 1.342 57 I HN 0.449 nan 8.210 nan 0.000 0.457 58 V N 7.037 126.841 119.914 -0.183 0.000 2.769 58 V HA 0.596 4.716 4.120 -0.001 0.000 0.312 58 V C -0.945 175.056 176.094 -0.155 0.000 1.061 58 V CA -0.403 61.805 62.300 -0.154 0.000 0.931 58 V CB 2.114 33.859 31.823 -0.131 0.000 1.010 58 V HN 0.722 nan 8.190 nan 0.000 0.433 59 D N 2.160 122.469 120.400 -0.151 0.000 2.927 59 D HA 0.272 4.912 4.640 -0.001 0.000 0.219 59 D C 0.490 176.696 176.300 -0.157 0.000 1.248 59 D CA -0.541 53.353 54.000 -0.178 0.000 0.861 59 D CB 2.189 42.836 40.800 -0.255 0.000 1.677 59 D HN 0.625 nan 8.370 nan 0.000 0.511 60 R N 1.919 122.338 120.500 -0.135 0.000 2.276 60 R HA 0.166 4.506 4.340 -0.001 0.000 0.203 60 R C 0.506 176.723 176.300 -0.138 0.000 1.017 60 R CA 0.122 56.160 56.100 -0.104 0.000 1.010 60 R CB 0.317 30.580 30.300 -0.061 0.000 0.900 60 R HN 0.062 nan 8.270 nan 0.000 0.469 61 R N 1.551 121.914 120.500 -0.229 0.000 2.560 61 R HA 0.159 4.498 4.340 -0.001 0.000 0.270 61 R C -1.709 174.407 176.300 -0.307 0.000 1.074 61 R CA -1.891 54.027 56.100 -0.303 0.000 1.140 61 R CB 0.574 30.535 30.300 -0.564 0.000 1.073 61 R HN 0.024 nan 8.270 nan 0.000 0.527 62 P HA -0.025 nan 4.420 nan 0.000 0.249 62 P C -1.037 176.171 177.300 -0.153 0.000 1.241 62 P CA 0.789 63.807 63.100 -0.138 0.000 0.781 62 P CB 0.074 31.747 31.700 -0.045 0.000 1.088 63 H N -1.428 117.461 119.070 -0.302 0.000 2.977 63 H HA 0.610 5.165 4.556 -0.001 0.000 0.350 63 H C 0.199 175.300 175.328 -0.379 0.000 1.238 63 H CA -1.353 54.442 56.048 -0.421 0.000 1.124 63 H CB 0.462 29.644 29.762 -0.966 0.000 1.866 63 H HN -0.179 nan 8.280 nan 0.000 0.550 64 I N -2.110 118.361 120.570 -0.165 0.000 3.078 64 I HA 0.690 4.859 4.170 -0.001 0.000 0.318 64 I C 1.037 177.006 176.117 -0.246 0.000 1.016 64 I CA -0.391 60.767 61.300 -0.236 0.000 1.130 64 I CB 1.100 38.995 38.000 -0.175 0.000 1.397 64 I HN 1.085 nan 8.210 nan 0.000 0.570 65 G N 0.658 109.038 108.800 -0.700 0.000 2.194 65 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.236 65 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.236 65 G C 0.942 175.409 174.900 -0.721 0.000 0.987 65 G CA 0.250 44.578 45.100 -1.287 0.000 0.635 65 G HN 2.082 nan 8.290 nan 0.000 0.520 66 G N 0.789 109.339 108.800 -0.417 0.000 2.660 66 G HA2 -0.422 3.538 3.960 -0.001 0.000 0.321 66 G HA3 -0.422 3.538 3.960 -0.001 0.000 0.321 66 G C 0.948 175.692 174.900 -0.260 0.000 1.246 66 G CA 1.218 46.133 45.100 -0.309 0.000 1.000 66 G HN 1.165 nan 8.290 nan 0.000 0.550 67 N N 1.208 119.753 118.700 -0.259 0.000 2.331 67 N HA 0.221 4.960 4.740 -0.001 0.000 0.180 67 N C 2.205 177.482 175.510 -0.388 0.000 1.019 67 N CA 1.749 54.633 53.050 -0.277 0.000 0.881 67 N CB -0.410 38.090 38.487 0.021 0.000 0.972 67 N HN 0.916 nan 8.380 nan 0.000 0.435 68 A N -0.587 121.991 122.820 -0.404 0.000 2.278 68 A HA 0.010 4.330 4.320 -0.001 0.000 0.212 68 A C 0.223 177.564 177.584 -0.406 0.000 1.213 68 A CA -0.383 51.255 52.037 -0.664 0.000 0.840 68 A CB -0.761 18.078 19.000 -0.269 0.000 0.866 68 A HN 0.337 nan 8.150 nan 0.000 0.489 69 Y N 2.527 122.633 120.300 -0.323 0.000 2.712 69 Y HA 0.294 4.843 4.550 -0.001 0.000 0.333 69 Y C -0.128 175.643 175.900 -0.215 0.000 1.225 69 Y CA -0.325 57.637 58.100 -0.230 0.000 1.499 69 Y CB 0.336 38.634 38.460 -0.270 0.000 1.288 69 Y HN 0.507 nan 8.280 nan 0.000 0.575 70 D N 4.531 124.502 120.400 -0.715 0.000 2.547 70 D HA 0.575 5.214 4.640 -0.001 0.000 0.231 70 D C -1.145 174.587 176.300 -0.946 0.000 1.099 70 D CA -0.617 52.976 54.000 -0.678 0.000 0.901 70 D CB 1.102 41.808 40.800 -0.157 0.000 1.478 70 D HN 0.748 nan 8.370 nan 0.000 0.471 71 C N -1.553 117.311 119.300 -0.727 0.000 3.311 71 C HA 0.681 5.140 4.460 -0.001 0.000 0.325 71 C C -1.301 173.429 174.990 -0.433 0.000 1.352 71 C CA -1.149 57.561 59.018 -0.513 0.000 1.308 71 C CB -0.064 27.400 27.740 -0.460 0.000 1.619 71 C HN 0.612 nan 8.230 nan 0.000 0.469 72 Y N 2.250 122.415 120.300 -0.225 0.000 2.335 72 Y HA 0.433 4.983 4.550 -0.000 0.000 0.331 72 Y C 1.066 176.860 175.900 -0.176 0.000 1.094 72 Y CA 0.754 58.747 58.100 -0.179 0.000 1.253 72 Y CB 0.761 39.156 38.460 -0.109 0.000 1.203 72 Y HN 0.865 nan 8.280 nan 0.000 0.508 73 D N 0.096 120.445 120.400 -0.085 0.000 2.478 73 D HA 0.024 4.664 4.640 -0.001 0.000 0.269 73 D C 0.340 176.620 176.300 -0.033 0.000 1.232 73 D CA -0.375 53.562 54.000 -0.106 0.000 1.059 73 D CB 0.509 41.202 40.800 -0.177 0.000 1.104 73 D HN 0.399 nan 8.370 nan 0.000 0.566 74 D N -0.787 119.588 120.400 -0.042 0.000 2.221 74 D HA -0.085 4.555 4.640 -0.001 0.000 0.204 74 D C 1.584 177.889 176.300 0.008 0.000 0.982 74 D CA 1.669 55.661 54.000 -0.013 0.000 0.857 74 D CB -0.365 40.424 40.800 -0.018 0.000 0.934 74 D HN 0.532 nan 8.370 nan 0.000 0.475 75 A N -0.653 122.161 122.820 -0.011 0.000 2.218 75 A HA 0.439 4.759 4.320 -0.001 0.000 0.209 75 A C 1.766 179.406 177.584 0.094 0.000 1.168 75 A CA 0.974 53.018 52.037 0.011 0.000 0.804 75 A CB 0.013 18.965 19.000 -0.080 0.000 0.834 75 A HN 0.229 nan 8.150 nan 0.000 0.482 76 G N -1.394 107.461 108.800 0.093 0.000 2.141 76 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.242 76 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.242 76 G C 0.082 175.112 174.900 0.217 0.000 0.982 76 G CA 0.096 45.332 45.100 0.227 0.000 0.662 76 G HN 0.784 nan 8.290 nan 0.000 0.527 77 V N 1.151 121.012 119.914 -0.088 0.000 2.509 77 V HA 0.618 4.738 4.120 -0.001 0.000 0.284 77 V C 0.746 176.661 176.094 -0.297 0.000 1.047 77 V CA -0.813 61.354 62.300 -0.222 0.000 0.952 77 V CB 1.696 33.316 31.823 -0.338 0.000 0.988 77 V HN 0.420 nan 8.190 nan 0.000 0.469 78 L N 7.411 128.359 121.223 -0.458 0.000 2.315 78 L HA 0.558 4.898 4.340 -0.001 0.000 0.283 78 L C -0.272 176.206 176.870 -0.654 0.000 1.089 78 L CA 0.577 54.944 54.840 -0.787 0.000 0.833 78 L CB 0.019 41.599 42.059 -0.798 0.000 1.170 78 L HN 0.663 nan 8.230 nan 0.000 0.442 79 I N 0.737 120.824 120.570 -0.806 0.000 3.145 79 I HA 0.542 4.711 4.170 -0.001 0.000 0.313 79 I C -1.085 174.417 176.117 -1.025 0.000 1.122 79 I CA -0.855 59.615 61.300 -1.384 0.000 0.987 79 I CB 2.182 39.442 38.000 -1.234 0.000 1.236 79 I HN 0.575 nan 8.210 nan 0.000 0.453 80 H N 2.046 120.365 119.070 -1.252 0.000 2.638 80 H HA 0.317 4.873 4.556 -0.001 0.000 0.303 80 H C -2.140 172.960 175.328 -0.380 0.000 1.034 80 H CA -1.932 53.810 56.048 -0.509 0.000 1.225 80 H CB 1.146 30.875 29.762 -0.054 0.000 1.394 80 H HN 0.430 nan 8.280 nan 0.000 0.477 81 P HA -0.203 nan 4.420 nan 0.000 0.217 81 P C -0.155 176.706 177.300 -0.732 0.000 1.148 81 P CA 1.428 64.191 63.100 -0.561 0.000 0.828 81 P CB 0.093 31.331 31.700 -0.771 0.000 0.783 82 Y N -0.787 119.241 120.300 -0.454 0.000 2.833 82 Y HA 0.512 5.062 4.550 -0.001 0.000 0.339 82 Y C 1.386 176.898 175.900 -0.647 0.000 1.032 82 Y CA -0.292 57.251 58.100 -0.929 0.000 1.450 82 Y CB -0.213 38.034 38.460 -0.356 0.000 1.296 82 Y HN -0.067 nan 8.280 nan 0.000 0.535 83 G N 1.158 109.757 108.800 -0.336 0.000 2.781 83 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.683 83 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.683 83 G C -3.140 172.098 174.900 0.563 0.000 1.390 83 G CA -1.573 43.709 45.100 0.302 0.000 0.850 83 G HN 0.074 nan 8.290 nan 0.000 0.557 84 P HA 0.346 nan 4.420 nan 0.000 0.271 84 P C -0.557 177.030 177.300 0.478 0.000 1.233 84 P CA 0.194 63.645 63.100 0.584 0.000 0.764 84 P CB 0.388 32.230 31.700 0.236 0.000 0.825 85 H N 2.951 122.299 119.070 0.463 0.000 2.638 85 H HA 0.448 5.003 4.556 -0.000 0.000 0.303 85 H C -0.232 175.340 175.328 0.408 0.000 1.034 85 H CA -0.347 55.829 56.048 0.213 0.000 1.225 85 H CB 0.108 29.758 29.762 -0.187 0.000 1.394 85 H HN 0.251 nan 8.280 nan 0.000 0.477 86 I N 3.614 124.443 120.570 0.431 0.000 2.339 86 I HA 0.127 4.296 4.170 -0.001 0.000 0.290 86 I C -0.319 176.102 176.117 0.506 0.000 0.994 86 I CA -0.519 61.086 61.300 0.508 0.000 1.191 86 I CB 0.508 38.748 38.000 0.402 0.000 1.343 86 I HN 0.411 nan 8.210 nan 0.000 0.458 87 F N 7.469 127.687 119.950 0.445 0.000 2.427 87 F HA 0.509 5.036 4.527 -0.000 0.000 0.352 87 F C 0.067 175.975 175.800 0.179 0.000 1.100 87 F CA 0.180 58.350 58.000 0.283 0.000 1.191 87 F CB 0.212 39.478 39.000 0.444 0.000 1.128 87 F HN 0.669 nan 8.300 nan 0.000 0.533 88 H N 1.326 119.844 119.070 -0.921 0.000 3.085 88 H HA 0.626 5.181 4.556 -0.000 0.000 0.356 88 H C -1.267 173.550 175.328 -0.851 0.000 1.178 88 H CA -1.005 54.605 56.048 -0.729 0.000 1.214 88 H CB 1.755 31.057 29.762 -0.767 0.000 1.881 88 H HN 0.603 nan 8.280 nan 0.000 0.538 89 T N 0.850 115.153 114.554 -0.418 0.000 2.830 89 T HA 0.258 4.608 4.350 -0.001 0.000 0.322 89 T C -0.590 174.104 174.700 -0.011 0.000 1.501 89 T CA -0.746 61.190 62.100 -0.274 0.000 1.036 89 T CB 1.320 70.033 68.868 -0.259 0.000 1.379 89 T HN 0.755 nan 8.240 nan 0.000 0.493 90 N N 0.886 119.592 118.700 0.009 0.000 2.282 90 N HA 0.109 4.848 4.740 -0.001 0.000 0.185 90 N C 0.393 175.995 175.510 0.154 0.000 1.099 90 N CA 0.071 53.170 53.050 0.080 0.000 0.878 90 N CB 0.739 39.230 38.487 0.006 0.000 0.993 90 N HN 0.511 nan 8.380 nan 0.000 0.481 91 S N 1.317 117.063 115.700 0.077 0.000 2.429 91 S HA 0.084 4.554 4.470 -0.001 0.000 0.292 91 S C 1.291 175.895 174.600 0.008 0.000 1.183 91 S CA -0.336 57.895 58.200 0.051 0.000 1.088 91 S CB 0.724 63.934 63.200 0.015 0.000 1.018 91 S HN 0.136 nan 8.310 nan 0.000 0.511 92 K N 3.646 124.047 120.400 0.003 0.000 2.147 92 K HA -0.118 4.202 4.320 -0.001 0.000 0.205 92 K C 0.877 177.441 176.600 -0.061 0.000 1.049 92 K CA 1.561 57.740 56.287 -0.179 0.000 0.936 92 K CB -0.043 32.452 32.500 -0.007 0.000 0.722 92 K HN 0.637 nan 8.250 nan 0.000 0.446 93 D N 0.204 120.612 120.400 0.013 0.000 2.097 93 D HA -0.133 4.507 4.640 -0.001 0.000 0.197 93 D C 1.923 178.281 176.300 0.096 0.000 0.984 93 D CA 0.909 54.939 54.000 0.050 0.000 0.826 93 D CB -0.125 40.700 40.800 0.042 0.000 0.973 93 D HN 0.001 nan 8.370 nan 0.000 0.460 94 V N 0.733 120.705 119.914 0.096 0.000 2.343 94 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 94 V C 2.166 178.416 176.094 0.260 0.000 1.051 94 V CA 1.261 63.664 62.300 0.172 0.000 1.036 94 V CB -0.498 31.414 31.823 0.148 0.000 0.654 94 V HN 0.124 nan 8.190 nan 0.000 0.451 95 F N 0.971 120.920 119.950 -0.002 0.000 2.102 95 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 95 F C 2.477 178.260 175.800 -0.027 0.000 1.105 95 F CA 2.002 59.941 58.000 -0.101 0.000 1.239 95 F CB -0.018 38.678 39.000 -0.507 0.000 0.991 95 F HN 0.192 nan 8.300 nan 0.000 0.474 96 E N -1.039 119.153 120.200 -0.013 0.000 2.150 96 E HA -0.247 4.102 4.350 -0.001 0.000 0.193 96 E C 1.847 178.427 176.600 -0.034 0.000 0.985 96 E CA 1.205 57.573 56.400 -0.054 0.000 0.814 96 E CB -0.459 29.246 29.700 0.008 0.000 0.752 96 E HN 0.626 nan 8.360 nan 0.000 0.466 97 Y N 1.395 121.671 120.300 -0.040 0.000 2.114 97 Y HA -0.231 4.319 4.550 -0.001 0.000 0.284 97 Y C 2.032 177.932 175.900 -0.000 0.000 1.143 97 Y CA 1.128 59.221 58.100 -0.011 0.000 1.135 97 Y CB -0.209 38.292 38.460 0.068 0.000 0.980 97 Y HN -0.047 nan 8.280 nan 0.000 0.499 98 L N 0.188 121.483 121.223 0.121 0.000 2.127 98 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 98 L C 2.457 179.255 176.870 -0.120 0.000 1.089 98 L CA 1.842 56.739 54.840 0.094 0.000 0.757 98 L CB -1.428 40.752 42.059 0.201 0.000 0.899 98 L HN 0.236 nan 8.230 nan 0.000 0.434 99 S N -0.848 114.773 115.700 -0.131 0.000 2.469 99 S HA -0.154 4.316 4.470 -0.001 0.000 0.238 99 S C 1.884 176.251 174.600 -0.389 0.000 0.998 99 S CA 0.734 58.839 58.200 -0.159 0.000 0.957 99 S CB -0.260 62.890 63.200 -0.084 0.000 0.764 99 S HN 0.454 nan 8.310 nan 0.000 0.514 100 R N -0.163 119.941 120.500 -0.660 0.000 2.280 100 R HA 0.078 4.417 4.340 -0.001 0.000 0.207 100 R C 0.517 176.205 176.300 -1.020 0.000 1.043 100 R CA 0.869 56.415 56.100 -0.923 0.000 1.006 100 R CB -0.110 29.423 30.300 -1.278 0.000 0.885 100 R HN 0.461 nan 8.270 nan 0.000 0.467 101 F N -1.630 118.105 119.950 -0.359 0.000 2.746 101 F HA 0.302 4.829 4.527 -0.001 0.000 0.320 101 F C 0.428 175.997 175.800 -0.384 0.000 1.097 101 F CA -0.417 57.379 58.000 -0.340 0.000 1.195 101 F CB 1.235 40.020 39.000 -0.358 0.000 1.056 101 F HN -0.245 nan 8.300 nan 0.000 0.562 102 T N -0.258 114.066 114.554 -0.383 0.000 2.827 102 T HA 0.299 4.649 4.350 -0.001 0.000 0.328 102 T C -1.285 172.982 174.700 -0.722 0.000 1.598 102 T CA -0.521 61.255 62.100 -0.540 0.000 1.043 102 T CB 1.600 70.019 68.868 -0.747 0.000 1.447 102 T HN 0.067 nan 8.240 nan 0.000 0.491 103 E N 0.862 120.707 120.200 -0.592 0.000 2.254 103 E HA 0.558 4.907 4.350 -0.001 0.000 0.261 103 E C -1.143 175.069 176.600 -0.647 0.000 1.051 103 E CA -0.684 55.411 56.400 -0.507 0.000 0.902 103 E CB 1.197 30.760 29.700 -0.228 0.000 1.168 103 E HN 0.502 nan 8.360 nan 0.000 0.423 104 W N 0.751 122.005 121.300 -0.077 0.000 2.702 104 W HA 0.384 5.043 4.660 -0.000 0.000 0.331 104 W C -0.174 176.361 176.519 0.026 0.000 1.049 104 W CA -0.780 56.563 57.345 -0.004 0.000 1.230 104 W CB 1.198 30.740 29.460 0.137 0.000 1.408 104 W HN 0.119 nan 8.180 nan 0.000 0.492 105 R N 3.890 124.558 120.500 0.281 0.000 2.215 105 R HA 0.363 4.703 4.340 -0.001 0.000 0.336 105 R C -2.507 173.978 176.300 0.308 0.000 0.996 105 R CA -1.767 54.461 56.100 0.214 0.000 0.847 105 R CB 0.876 31.242 30.300 0.110 0.000 1.127 105 R HN 0.105 nan 8.270 nan 0.000 0.465 106 P HA -0.056 nan 4.420 nan 0.000 0.263 106 P C -1.621 175.879 177.300 0.333 0.000 1.195 106 P CA 0.473 63.731 63.100 0.265 0.000 0.762 106 P CB 0.075 31.883 31.700 0.181 0.000 0.799 107 Y N 2.154 122.567 120.300 0.189 0.000 2.348 107 Y HA 0.254 4.804 4.550 -0.000 0.000 0.321 107 Y C -1.246 174.786 175.900 0.219 0.000 1.163 107 Y CA -0.548 57.672 58.100 0.199 0.000 1.070 107 Y CB 1.619 40.219 38.460 0.233 0.000 1.250 107 Y HN 0.280 nan 8.280 nan 0.000 0.425 108 Q N 5.397 124.982 119.800 -0.359 0.000 2.431 108 Q HA 0.180 4.520 4.340 -0.001 0.000 0.249 108 Q C -1.003 174.669 176.000 -0.547 0.000 1.025 108 Q CA -0.897 54.725 55.803 -0.301 0.000 0.835 108 Q CB 0.775 29.439 28.738 -0.123 0.000 1.207 108 Q HN 0.664 nan 8.270 nan 0.000 0.490 109 H N 2.716 121.421 119.070 -0.608 0.000 3.094 109 H HA 0.021 4.577 4.556 -0.000 0.000 0.320 109 H C -0.615 174.554 175.328 -0.266 0.000 1.000 109 H CA 1.031 56.831 56.048 -0.414 0.000 1.413 109 H CB 0.383 30.141 29.762 -0.007 0.000 1.405 109 H HN 0.400 nan 8.280 nan 0.000 0.586 110 R N 3.653 123.805 120.500 -0.580 0.000 2.513 110 R HA 0.460 4.800 4.340 -0.001 0.000 0.301 110 R C -1.309 174.641 176.300 -0.582 0.000 0.968 110 R CA -0.992 54.836 56.100 -0.453 0.000 0.872 110 R CB 1.977 32.119 30.300 -0.264 0.000 1.177 110 R HN 0.301 nan 8.270 nan 0.000 0.444 111 V N 4.157 123.807 119.914 -0.441 0.000 2.628 111 V HA 0.467 4.586 4.120 -0.001 0.000 0.306 111 V C -0.752 175.210 176.094 -0.220 0.000 1.045 111 V CA -0.943 61.119 62.300 -0.397 0.000 0.905 111 V CB 1.925 33.460 31.823 -0.480 0.000 0.997 111 V HN 0.442 nan 8.190 nan 0.000 0.436 112 L N 3.350 124.449 121.223 -0.208 0.000 2.346 112 L HA 0.832 5.172 4.340 -0.001 0.000 0.276 112 L C 0.210 176.987 176.870 -0.155 0.000 1.006 112 L CA -0.495 54.253 54.840 -0.152 0.000 0.817 112 L CB 1.596 43.563 42.059 -0.153 0.000 1.272 112 L HN 0.815 nan 8.230 nan 0.000 0.421 113 A N 1.863 124.626 122.820 -0.095 0.000 2.288 113 A HA 0.556 4.876 4.320 -0.001 0.000 0.320 113 A C 0.025 177.500 177.584 -0.180 0.000 1.217 113 A CA -0.377 51.589 52.037 -0.118 0.000 0.840 113 A CB 0.802 19.825 19.000 0.040 0.000 1.179 113 A HN 0.611 nan 8.150 nan 0.000 0.504 114 S N 2.505 118.014 115.700 -0.318 0.000 3.072 114 S HA 0.396 4.866 4.470 -0.001 0.000 0.306 114 S C -0.472 173.992 174.600 -0.227 0.000 1.207 114 S CA -0.238 57.791 58.200 -0.285 0.000 1.008 114 S CB -1.000 61.940 63.200 -0.434 0.000 1.390 114 S HN 0.570 nan 8.310 nan 0.000 0.523 115 V N 4.985 124.755 119.914 -0.240 0.000 2.448 115 V HA 0.369 4.488 4.120 -0.001 0.000 0.295 115 V C -0.139 175.835 176.094 -0.200 0.000 1.025 115 V CA -0.772 61.336 62.300 -0.319 0.000 0.859 115 V CB 1.548 32.970 31.823 -0.668 0.000 0.988 115 V HN 0.782 nan 8.190 nan 0.000 0.431 116 D N 4.216 124.523 120.400 -0.156 0.000 2.723 116 D HA -0.180 4.459 4.640 -0.001 0.000 0.236 116 D C 1.311 177.571 176.300 -0.067 0.000 1.138 116 D CA 1.805 55.746 54.000 -0.098 0.000 0.676 116 D CB -1.100 39.642 40.800 -0.097 0.000 1.069 116 D HN 1.435 nan 8.370 nan 0.000 0.430 117 G N -0.775 107.993 108.800 -0.055 0.000 2.162 117 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.260 117 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.260 117 G C 0.243 175.125 174.900 -0.030 0.000 0.976 117 G CA 0.864 45.948 45.100 -0.027 0.000 0.655 117 G HN 0.540 nan 8.290 nan 0.000 0.533 118 Q N -1.029 118.740 119.800 -0.052 0.000 2.359 118 Q HA 0.762 5.102 4.340 -0.001 0.000 0.275 118 Q C -0.244 175.717 176.000 -0.065 0.000 1.082 118 Q CA -0.971 54.803 55.803 -0.048 0.000 0.849 118 Q CB 1.906 30.616 28.738 -0.045 0.000 1.377 118 Q HN 0.241 nan 8.270 nan 0.000 0.452 119 L N 2.385 123.574 121.223 -0.058 0.000 2.277 119 L HA 0.388 4.727 4.340 -0.001 0.000 0.284 119 L C -1.230 175.609 176.870 -0.051 0.000 1.028 119 L CA -0.629 54.165 54.840 -0.075 0.000 0.835 119 L CB 0.524 42.534 42.059 -0.082 0.000 1.215 119 L HN 0.251 nan 8.230 nan 0.000 0.425 120 L N 5.456 126.666 121.223 -0.023 0.000 2.342 120 L HA 0.642 4.982 4.340 -0.001 0.000 0.271 120 L C -2.210 174.666 176.870 0.009 0.000 1.008 120 L CA -2.523 52.330 54.840 0.022 0.000 0.818 120 L CB 1.532 43.668 42.059 0.129 0.000 1.296 120 L HN 0.218 nan 8.230 nan 0.000 0.427 121 P HA 0.239 nan 4.420 nan 0.000 0.268 121 P C -0.930 176.317 177.300 -0.089 0.000 1.204 121 P CA 0.076 63.133 63.100 -0.071 0.000 0.768 121 P CB 0.628 32.276 31.700 -0.085 0.000 0.842 122 I N 4.876 125.397 120.570 -0.081 0.000 2.499 122 I HA 0.486 4.656 4.170 -0.001 0.000 0.288 122 I C -2.718 173.356 176.117 -0.073 0.000 1.048 122 I CA -3.413 57.822 61.300 -0.108 0.000 1.062 122 I CB 2.008 39.972 38.000 -0.061 0.000 1.238 122 I HN 0.179 nan 8.210 nan 0.000 0.426 123 P HA 0.182 nan 4.420 nan 0.000 0.269 123 P C -0.486 176.693 177.300 -0.201 0.000 1.217 123 P CA 0.025 62.999 63.100 -0.210 0.000 0.783 123 P CB 0.351 31.914 31.700 -0.228 0.000 0.898 124 I N 2.157 122.591 120.570 -0.227 0.000 2.668 124 I HA -0.015 4.155 4.170 -0.001 0.000 0.285 124 I C 1.051 177.111 176.117 -0.094 0.000 1.168 124 I CA 0.596 61.748 61.300 -0.248 0.000 1.424 124 I CB -0.299 37.543 38.000 -0.264 0.000 1.377 124 I HN 0.524 nan 8.210 nan 0.000 0.560 125 N N 5.842 124.504 118.700 -0.064 0.000 3.038 125 N HA 0.273 5.012 4.740 -0.001 0.000 0.307 125 N C 0.381 175.894 175.510 0.005 0.000 1.441 125 N CA -0.936 52.108 53.050 -0.010 0.000 0.772 125 N CB 0.652 39.105 38.487 -0.057 0.000 1.651 125 N HN 0.440 nan 8.380 nan 0.000 0.593 126 L N -0.280 120.929 121.223 -0.023 0.000 2.043 126 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 126 L C 0.646 177.468 176.870 -0.080 0.000 1.075 126 L CA 2.149 56.946 54.840 -0.071 0.000 0.752 126 L CB -0.403 41.599 42.059 -0.095 0.000 0.891 126 L HN 0.545 nan 8.230 nan 0.000 0.432 127 D N -0.955 119.402 120.400 -0.071 0.000 2.144 127 D HA -0.140 4.500 4.640 -0.001 0.000 0.200 127 D C 1.998 178.259 176.300 -0.064 0.000 0.978 127 D CA 1.692 55.652 54.000 -0.068 0.000 0.833 127 D CB -0.056 40.706 40.800 -0.063 0.000 0.961 127 D HN 0.395 nan 8.370 nan 0.000 0.470 128 T N 1.058 115.573 114.554 -0.065 0.000 2.652 128 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 128 T C 2.340 177.002 174.700 -0.064 0.000 1.039 128 T CA 1.122 63.182 62.100 -0.065 0.000 1.153 128 T CB -0.481 68.305 68.868 -0.135 0.000 0.863 128 T HN -0.013 nan 8.240 nan 0.000 0.428 129 V N 2.540 122.422 119.914 -0.053 0.000 2.295 129 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 129 V C 2.499 178.552 176.094 -0.070 0.000 1.049 129 V CA 1.634 63.906 62.300 -0.048 0.000 1.024 129 V CB -0.721 31.035 31.823 -0.112 0.000 0.648 129 V HN 0.419 nan 8.190 nan 0.000 0.447 130 N N 0.429 119.072 118.700 -0.094 0.000 2.084 130 N HA -0.148 4.592 4.740 -0.001 0.000 0.190 130 N C 1.999 177.480 175.510 -0.049 0.000 1.030 130 N CA 1.522 54.527 53.050 -0.075 0.000 0.849 130 N CB -0.389 38.048 38.487 -0.082 0.000 1.012 130 N HN 0.470 nan 8.380 nan 0.000 0.423 131 R N 0.162 120.627 120.500 -0.058 0.000 2.115 131 R HA -0.019 4.321 4.340 -0.001 0.000 0.230 131 R C 2.060 178.322 176.300 -0.065 0.000 1.111 131 R CA 0.577 56.647 56.100 -0.049 0.000 0.976 131 R CB -0.301 29.973 30.300 -0.044 0.000 0.870 131 R HN 0.154 nan 8.270 nan 0.000 0.445 132 L N -0.831 120.318 121.223 -0.123 0.000 2.179 132 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 132 L C 1.019 177.738 176.870 -0.251 0.000 1.096 132 L CA 1.660 56.362 54.840 -0.230 0.000 0.779 132 L CB 0.058 41.898 42.059 -0.366 0.000 0.922 132 L HN 0.057 nan 8.230 nan 0.000 0.443 133 Y N -0.297 120.001 120.300 -0.003 0.000 2.467 133 Y HA 0.474 5.023 4.550 -0.000 0.000 0.250 133 Y C 1.721 177.602 175.900 -0.031 0.000 1.155 133 Y CA -0.361 57.731 58.100 -0.013 0.000 1.249 133 Y CB 0.003 38.436 38.460 -0.045 0.000 1.146 133 Y HN 0.156 nan 8.280 nan 0.000 0.524 134 G N 0.989 109.837 108.800 0.081 0.000 2.176 134 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.252 134 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.252 134 G C 0.047 174.957 174.900 0.016 0.000 1.024 134 G CA 0.203 45.325 45.100 0.036 0.000 0.755 134 G HN 0.262 nan 8.290 nan 0.000 0.507 135 L N -0.730 120.494 121.223 0.002 0.000 2.469 135 L HA 0.508 4.848 4.340 -0.001 0.000 0.253 135 L C 0.887 177.721 176.870 -0.061 0.000 1.143 135 L CA -0.864 53.945 54.840 -0.051 0.000 0.804 135 L CB 0.636 42.620 42.059 -0.125 0.000 1.214 135 L HN 0.061 nan 8.230 nan 0.000 0.476 136 N N 1.201 119.857 118.700 -0.072 0.000 2.588 136 N HA 0.287 5.027 4.740 -0.001 0.000 0.298 136 N C -0.897 174.571 175.510 -0.071 0.000 1.718 136 N CA -0.101 52.912 53.050 -0.061 0.000 0.888 136 N CB 0.704 39.168 38.487 -0.038 0.000 1.389 136 N HN 0.368 nan 8.380 nan 0.000 0.491 137 L N 1.207 122.364 121.223 -0.110 0.000 2.426 137 L HA 0.180 4.519 4.340 -0.001 0.000 0.271 137 L C 1.602 178.419 176.870 -0.088 0.000 1.169 137 L CA 0.085 54.857 54.840 -0.113 0.000 0.836 137 L CB 0.526 42.466 42.059 -0.199 0.000 1.112 137 L HN 0.161 nan 8.230 nan 0.000 0.465 138 T N -1.199 113.327 114.554 -0.046 0.000 2.788 138 T HA 0.130 4.480 4.350 -0.001 0.000 0.280 138 T C 1.205 175.831 174.700 -0.122 0.000 0.984 138 T CA -0.492 61.582 62.100 -0.044 0.000 0.972 138 T CB 1.373 70.288 68.868 0.078 0.000 1.039 138 T HN 0.546 nan 8.240 nan 0.000 0.530 139 S N 0.196 115.736 115.700 -0.267 0.000 2.370 139 S HA -0.049 4.420 4.470 -0.001 0.000 0.226 139 S C 1.535 175.941 174.600 -0.323 0.000 1.033 139 S CA 1.411 59.386 58.200 -0.375 0.000 1.011 139 S CB -0.765 62.085 63.200 -0.584 0.000 0.852 139 S HN 0.679 nan 8.310 nan 0.000 0.457 140 F N 1.784 121.722 119.950 -0.021 0.000 2.234 140 F HA -0.054 4.472 4.527 -0.000 0.000 0.299 140 F C 2.568 178.358 175.800 -0.016 0.000 1.087 140 F CA 0.690 58.683 58.000 -0.012 0.000 1.340 140 F CB -0.720 38.273 39.000 -0.011 0.000 1.031 140 F HN 0.225 nan 8.300 nan 0.000 0.500 141 Q N -0.407 119.467 119.800 0.124 0.000 2.137 141 Q HA -0.086 4.254 4.340 -0.001 0.000 0.198 141 Q C 2.428 178.426 176.000 -0.003 0.000 0.960 141 Q CA 1.156 56.993 55.803 0.057 0.000 0.847 141 Q CB -0.531 28.221 28.738 0.024 0.000 0.915 141 Q HN 0.328 nan 8.270 nan 0.000 0.448 142 V N 1.231 121.091 119.914 -0.090 0.000 2.759 142 V HA -0.220 3.899 4.120 -0.001 0.000 0.256 142 V C 1.986 177.958 176.094 -0.204 0.000 1.080 142 V CA 1.589 63.750 62.300 -0.231 0.000 1.101 142 V CB -0.133 31.484 31.823 -0.343 0.000 0.698 142 V HN 0.359 nan 8.190 nan 0.000 0.477 143 E N -0.213 119.978 120.200 -0.014 0.000 2.072 143 E HA -0.232 4.118 4.350 -0.001 0.000 0.191 143 E C 2.092 178.761 176.600 0.114 0.000 0.985 143 E CA 1.501 57.968 56.400 0.111 0.000 0.801 143 E CB -0.019 29.749 29.700 0.113 0.000 0.750 143 E HN 0.769 nan 8.360 nan 0.000 0.452 144 E N 0.034 120.283 120.200 0.082 0.000 2.051 144 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 144 E C 1.907 178.547 176.600 0.068 0.000 0.991 144 E CA 1.215 57.658 56.400 0.072 0.000 0.799 144 E CB -0.329 29.409 29.700 0.065 0.000 0.748 144 E HN 0.277 nan 8.360 nan 0.000 0.449 145 F N 1.077 120.968 119.950 -0.098 0.000 2.091 145 F HA -0.257 4.270 4.527 -0.001 0.000 0.299 145 F C 1.847 177.621 175.800 -0.043 0.000 1.103 145 F CA 1.393 59.314 58.000 -0.132 0.000 1.228 145 F CB -0.177 38.668 39.000 -0.260 0.000 0.984 145 F HN -0.101 nan 8.300 nan 0.000 0.477 146 F N 0.873 120.840 119.950 0.028 0.000 2.134 146 F HA -0.099 4.428 4.527 -0.001 0.000 0.299 146 F C 2.676 178.389 175.800 -0.145 0.000 1.097 146 F CA 0.986 58.933 58.000 -0.088 0.000 1.264 146 F CB -1.708 37.316 39.000 0.040 0.000 1.001 146 F HN 0.095 nan 8.300 nan 0.000 0.479 147 A N -0.246 122.640 122.820 0.110 0.000 1.972 147 A HA -0.189 4.131 4.320 -0.001 0.000 0.219 147 A C 2.340 179.900 177.584 -0.040 0.000 1.169 147 A CA 2.008 54.063 52.037 0.030 0.000 0.635 147 A CB -1.095 17.927 19.000 0.036 0.000 0.810 147 A HN 0.419 nan 8.150 nan 0.000 0.446 148 S N -0.466 115.175 115.700 -0.100 0.000 2.461 148 S HA -0.022 4.447 4.470 -0.001 0.000 0.228 148 S C 1.476 175.970 174.600 -0.178 0.000 1.005 148 S CA 1.204 59.323 58.200 -0.135 0.000 0.942 148 S CB -0.533 62.578 63.200 -0.149 0.000 0.776 148 S HN 0.958 nan 8.310 nan 0.000 0.514 149 V N -1.977 117.799 119.914 -0.232 0.000 3.523 149 V HA 0.610 4.729 4.120 -0.001 0.000 0.255 149 V C 1.053 177.088 176.094 -0.098 0.000 1.226 149 V CA -0.192 61.991 62.300 -0.195 0.000 1.092 149 V CB -0.981 30.662 31.823 -0.299 0.000 0.817 149 V HN 0.529 nan 8.190 nan 0.000 0.458 150 A N 2.937 125.712 122.820 -0.074 0.000 2.491 150 A HA 0.369 4.688 4.320 -0.001 0.000 0.261 150 A C 0.505 178.048 177.584 -0.067 0.000 1.101 150 A CA -0.035 51.962 52.037 -0.066 0.000 0.772 150 A CB -0.478 18.489 19.000 -0.056 0.000 1.043 150 A HN 0.782 nan 8.150 nan 0.000 0.501 151 E N 2.321 122.477 120.200 -0.074 0.000 2.197 151 E HA 0.484 4.834 4.350 -0.001 0.000 0.281 151 E C -0.633 175.921 176.600 -0.076 0.000 0.995 151 E CA -1.033 55.326 56.400 -0.069 0.000 0.808 151 E CB 1.145 30.805 29.700 -0.066 0.000 1.093 151 E HN 0.270 nan 8.360 nan 0.000 0.394 152 K N 2.392 122.754 120.400 -0.062 0.000 2.174 152 K HA 0.269 4.588 4.320 -0.001 0.000 0.275 152 K C -1.040 175.523 176.600 -0.062 0.000 1.015 152 K CA -0.809 55.440 56.287 -0.062 0.000 0.933 152 K CB 1.469 33.939 32.500 -0.049 0.000 1.025 152 K HN 0.484 nan 8.250 nan 0.000 0.463 153 V N 3.269 123.143 119.914 -0.067 0.000 2.630 153 V HA 0.275 4.395 4.120 -0.001 0.000 0.305 153 V C 0.917 176.980 176.094 -0.050 0.000 1.046 153 V CA -0.663 61.599 62.300 -0.062 0.000 0.934 153 V CB 1.626 33.405 31.823 -0.074 0.000 1.003 153 V HN 0.715 nan 8.190 nan 0.000 0.451 154 E N 0.949 121.124 120.200 -0.042 0.000 2.112 154 E HA -0.005 4.344 4.350 -0.001 0.000 0.190 154 E C 0.690 177.270 176.600 -0.034 0.000 0.979 154 E CA 0.986 57.365 56.400 -0.035 0.000 0.814 154 E CB 0.229 29.911 29.700 -0.029 0.000 0.762 154 E HN 0.691 nan 8.360 nan 0.000 0.460 155 Q N 0.005 119.783 119.800 -0.037 0.000 2.274 155 Q HA 0.327 4.666 4.340 -0.001 0.000 0.268 155 Q C -1.471 174.503 176.000 -0.043 0.000 1.015 155 Q CA -0.532 55.249 55.803 -0.036 0.000 0.775 155 Q CB 2.034 30.755 28.738 -0.028 0.000 1.256 155 Q HN -0.104 nan 8.270 nan 0.000 0.442 156 V N 4.890 124.775 119.914 -0.048 0.000 2.521 156 V HA 0.176 4.295 4.120 -0.001 0.000 0.286 156 V C 0.832 176.897 176.094 -0.047 0.000 1.034 156 V CA 0.652 62.918 62.300 -0.057 0.000 1.045 156 V CB 0.926 32.710 31.823 -0.065 0.000 0.974 156 V HN 0.834 nan 8.190 nan 0.000 0.480 157 R N 1.647 122.117 120.500 -0.049 0.000 2.576 157 R HA 0.151 4.491 4.340 -0.001 0.000 0.237 157 R C 0.545 176.820 176.300 -0.041 0.000 0.917 157 R CA 0.425 56.502 56.100 -0.038 0.000 1.002 157 R CB 1.078 31.359 30.300 -0.031 0.000 1.428 157 R HN 0.804 nan 8.270 nan 0.000 0.603 158 T N -3.136 111.386 114.554 -0.053 0.000 2.926 158 T HA 0.299 4.649 4.350 -0.001 0.000 0.289 158 T C 0.802 175.466 174.700 -0.060 0.000 1.054 158 T CA -0.655 61.414 62.100 -0.051 0.000 1.015 158 T CB 2.006 70.847 68.868 -0.045 0.000 1.167 158 T HN -0.230 nan 8.240 nan 0.000 0.526 159 S N -0.391 115.283 115.700 -0.044 0.000 2.469 159 S HA -0.075 4.394 4.470 -0.001 0.000 0.238 159 S C 1.703 176.292 174.600 -0.018 0.000 0.998 159 S CA 1.175 59.362 58.200 -0.022 0.000 0.957 159 S CB -0.442 62.764 63.200 0.011 0.000 0.764 159 S HN 0.833 nan 8.310 nan 0.000 0.514 160 E N 1.088 121.257 120.200 -0.052 0.000 2.051 160 E HA -0.149 4.201 4.350 -0.001 0.000 0.189 160 E C 1.147 177.568 176.600 -0.299 0.000 0.979 160 E CA 1.160 57.437 56.400 -0.205 0.000 0.803 160 E CB -0.015 29.578 29.700 -0.178 0.000 0.761 160 E HN 0.318 nan 8.360 nan 0.000 0.451 161 D N 0.549 120.834 120.400 -0.192 0.000 2.116 161 D HA -0.177 4.463 4.640 -0.001 0.000 0.193 161 D C 2.131 178.321 176.300 -0.183 0.000 0.998 161 D CA 1.471 55.366 54.000 -0.174 0.000 0.836 161 D CB -0.412 40.318 40.800 -0.117 0.000 0.951 161 D HN 0.158 nan 8.370 nan 0.000 0.449 162 V N 0.815 120.630 119.914 -0.166 0.000 2.255 162 V HA -0.222 3.898 4.120 -0.001 0.000 0.247 162 V C 2.709 178.663 176.094 -0.233 0.000 1.051 162 V CA 1.294 63.492 62.300 -0.169 0.000 1.018 162 V CB -0.818 30.919 31.823 -0.143 0.000 0.641 162 V HN 0.053 nan 8.190 nan 0.000 0.445 163 V N -0.535 119.203 119.914 -0.295 0.000 2.270 163 V HA -0.180 3.940 4.120 -0.001 0.000 0.245 163 V C 2.470 178.390 176.094 -0.290 0.000 1.043 163 V CA 1.777 63.850 62.300 -0.379 0.000 1.014 163 V CB -0.448 31.114 31.823 -0.434 0.000 0.645 163 V HN 0.369 nan 8.190 nan 0.000 0.447 164 V N 1.260 120.976 119.914 -0.329 0.000 2.392 164 V HA -0.223 3.896 4.120 -0.001 0.000 0.249 164 V C 2.630 178.608 176.094 -0.193 0.000 1.059 164 V CA 2.359 64.490 62.300 -0.283 0.000 1.051 164 V CB -0.619 30.959 31.823 -0.408 0.000 0.658 164 V HN 0.780 nan 8.190 nan 0.000 0.455 165 S N -1.260 114.327 115.700 -0.188 0.000 2.603 165 S HA -0.044 4.425 4.470 -0.001 0.000 0.229 165 S C 1.528 176.045 174.600 -0.139 0.000 0.972 165 S CA 0.850 58.965 58.200 -0.142 0.000 0.935 165 S CB -0.133 62.991 63.200 -0.126 0.000 0.769 165 S HN 0.692 nan 8.310 nan 0.000 0.536 166 K N 0.352 120.642 120.400 -0.183 0.000 2.353 166 K HA 0.216 4.536 4.320 -0.001 0.000 0.206 166 K C 1.661 178.082 176.600 -0.299 0.000 1.191 166 K CA 0.992 57.145 56.287 -0.224 0.000 0.897 166 K CB 0.310 32.645 32.500 -0.275 0.000 1.283 166 K HN 0.338 nan 8.250 nan 0.000 0.477 167 V N -1.890 117.843 119.914 -0.301 0.000 3.645 167 V HA 0.427 4.547 4.120 -0.001 0.000 0.275 167 V C 0.584 176.682 176.094 0.008 0.000 1.356 167 V CA 0.252 62.391 62.300 -0.268 0.000 1.051 167 V CB -0.092 31.553 31.823 -0.296 0.000 0.828 167 V HN 0.414 nan 8.190 nan 0.000 0.441 168 G N 1.257 110.038 108.800 -0.032 0.000 2.712 168 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.683 168 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.683 168 G C 0.100 175.048 174.900 0.081 0.000 1.320 168 G CA 0.275 45.378 45.100 0.005 0.000 0.847 168 G HN 0.604 nan 8.290 nan 0.000 0.553 169 R N 0.057 120.605 120.500 0.079 0.000 2.075 169 R HA -0.001 4.338 4.340 -0.001 0.000 0.232 169 R C 2.116 178.572 176.300 0.259 0.000 1.126 169 R CA 2.603 58.793 56.100 0.151 0.000 0.963 169 R CB -0.763 29.592 30.300 0.092 0.000 0.858 169 R HN 0.657 nan 8.270 nan 0.000 0.435 170 D N -0.474 120.060 120.400 0.224 0.000 2.097 170 D HA -0.092 4.547 4.640 -0.001 0.000 0.197 170 D C 1.862 178.359 176.300 0.328 0.000 0.984 170 D CA 1.304 55.460 54.000 0.259 0.000 0.826 170 D CB -0.026 40.936 40.800 0.271 0.000 0.973 170 D HN 0.277 nan 8.370 nan 0.000 0.460 171 L N -0.314 121.143 121.223 0.390 0.000 2.083 171 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 171 L C 2.305 179.471 176.870 0.494 0.000 1.083 171 L CA 1.028 56.150 54.840 0.470 0.000 0.752 171 L CB -0.642 41.672 42.059 0.425 0.000 0.899 171 L HN 0.226 nan 8.230 nan 0.000 0.433 172 Y N 1.525 121.982 120.300 0.260 0.000 2.145 172 Y HA -0.267 4.282 4.550 -0.001 0.000 0.286 172 Y C 2.461 178.531 175.900 0.282 0.000 1.145 172 Y CA 1.757 60.001 58.100 0.240 0.000 1.148 172 Y CB -0.331 38.178 38.460 0.082 0.000 0.981 172 Y HN 0.186 nan 8.280 nan 0.000 0.507 173 N N 0.570 119.333 118.700 0.104 0.000 2.149 173 N HA -0.161 4.579 4.740 -0.001 0.000 0.188 173 N C 1.658 177.151 175.510 -0.029 0.000 1.019 173 N CA 1.676 54.705 53.050 -0.035 0.000 0.857 173 N CB -0.275 38.264 38.487 0.087 0.000 0.997 173 N HN 0.443 nan 8.380 nan 0.000 0.426 174 K N -1.078 119.360 120.400 0.064 0.000 2.137 174 K HA 0.101 4.420 4.320 -0.001 0.000 0.202 174 K C 1.068 177.490 176.600 -0.296 0.000 1.052 174 K CA 0.793 57.014 56.287 -0.109 0.000 0.961 174 K CB 0.101 32.531 32.500 -0.116 0.000 0.741 174 K HN 0.093 nan 8.250 nan 0.000 0.452 175 F N -2.265 117.686 119.950 0.000 0.000 2.680 175 F HA 0.211 4.737 4.527 -0.001 0.000 0.290 175 F C 1.190 176.789 175.800 -0.334 0.000 1.114 175 F CA 0.068 57.967 58.000 -0.168 0.000 1.333 175 F CB 0.437 39.310 39.000 -0.211 0.000 1.091 175 F HN -0.111 nan 8.300 nan 0.000 0.606 176 F N -0.972 119.011 119.950 0.054 0.000 2.537 176 F HA 0.245 4.771 4.527 -0.000 0.000 0.277 176 F C 2.385 178.140 175.800 -0.075 0.000 1.013 176 F CA 0.119 58.124 58.000 0.007 0.000 1.332 176 F CB -0.411 38.607 39.000 0.031 0.000 1.108 176 F HN -0.403 nan 8.300 nan 0.000 0.679 177 R N 0.817 121.197 120.500 -0.199 0.000 2.082 177 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 177 R C 2.358 178.654 176.300 -0.006 0.000 1.136 177 R CA 1.838 57.800 56.100 -0.231 0.000 0.935 177 R CB -1.034 28.997 30.300 -0.447 0.000 0.842 177 R HN 0.396 nan 8.270 nan 0.000 0.430 178 G N -0.594 108.199 108.800 -0.011 0.000 2.418 178 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.217 178 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.217 178 G C 1.308 176.246 174.900 0.063 0.000 1.158 178 G CA 0.813 45.922 45.100 0.015 0.000 0.771 178 G HN 0.468 nan 8.290 nan 0.000 0.545 179 Y N 1.600 121.894 120.300 -0.010 0.000 2.089 179 Y HA -0.147 4.403 4.550 -0.001 0.000 0.282 179 Y C 3.228 179.180 175.900 0.086 0.000 1.139 179 Y CA 2.361 60.472 58.100 0.018 0.000 1.123 179 Y CB -0.366 38.088 38.460 -0.009 0.000 0.980 179 Y HN 0.193 nan 8.280 nan 0.000 0.493 180 T N 0.837 115.640 114.554 0.415 0.000 2.720 180 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 180 T C 1.903 176.798 174.700 0.325 0.000 1.037 180 T CA 1.794 64.176 62.100 0.470 0.000 1.144 180 T CB -0.269 68.855 68.868 0.426 0.000 0.864 180 T HN 0.324 nan 8.240 nan 0.000 0.444 181 R N 0.667 121.277 120.500 0.184 0.000 2.083 181 R HA -0.084 4.255 4.340 -0.001 0.000 0.237 181 R C 2.595 178.933 176.300 0.062 0.000 1.137 181 R CA 1.551 57.725 56.100 0.124 0.000 0.951 181 R CB -0.218 30.126 30.300 0.073 0.000 0.851 181 R HN 0.342 nan 8.270 nan 0.000 0.434 182 K N 0.630 121.018 120.400 -0.021 0.000 2.057 182 K HA -0.242 4.078 4.320 -0.001 0.000 0.206 182 K C 2.231 178.728 176.600 -0.171 0.000 1.050 182 K CA 1.685 57.907 56.287 -0.109 0.000 0.935 182 K CB 0.037 32.426 32.500 -0.186 0.000 0.715 182 K HN -0.052 nan 8.250 nan 0.000 0.439 183 Q N -0.356 119.292 119.800 -0.253 0.000 2.046 183 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 183 Q C 1.265 176.996 176.000 -0.448 0.000 0.975 183 Q CA 2.103 57.639 55.803 -0.446 0.000 0.836 183 Q CB -0.295 28.106 28.738 -0.562 0.000 0.896 183 Q HN 0.479 nan 8.270 nan 0.000 0.428 184 W N -1.054 120.203 121.300 -0.073 0.000 2.996 184 W HA 0.390 5.050 4.660 -0.000 0.000 0.270 184 W C 1.151 177.664 176.519 -0.011 0.000 1.280 184 W CA 0.322 57.642 57.345 -0.042 0.000 1.549 184 W CB 0.332 29.792 29.460 -0.001 0.000 1.079 184 W HN 0.355 nan 8.180 nan 0.000 0.629 185 G N 0.704 109.609 108.800 0.175 0.000 2.153 185 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.252 185 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.252 185 G C -0.567 174.417 174.900 0.140 0.000 0.994 185 G CA 0.139 45.312 45.100 0.121 0.000 0.698 185 G HN 0.091 nan 8.290 nan 0.000 0.521 186 L N -0.591 120.742 121.223 0.184 0.000 2.376 186 L HA 0.678 5.017 4.340 -0.001 0.000 0.258 186 L C -0.075 176.875 176.870 0.133 0.000 1.013 186 L CA -1.220 53.704 54.840 0.139 0.000 0.822 186 L CB 1.844 43.979 42.059 0.126 0.000 1.388 186 L HN 0.205 nan 8.230 nan 0.000 0.413 187 D N 1.280 121.740 120.400 0.101 0.000 2.304 187 D HA 0.306 4.946 4.640 -0.001 0.000 0.247 187 D C -1.720 174.646 176.300 0.110 0.000 1.089 187 D CA -1.259 52.809 54.000 0.114 0.000 0.910 187 D CB 1.634 42.495 40.800 0.102 0.000 1.199 187 D HN 0.279 nan 8.370 nan 0.000 0.426 188 P HA -0.146 nan 4.420 nan 0.000 0.222 188 P C 0.817 178.163 177.300 0.077 0.000 1.142 188 P CA 0.974 64.164 63.100 0.151 0.000 0.788 188 P CB 0.028 31.924 31.700 0.327 0.000 0.767 189 S N -0.888 114.857 115.700 0.076 0.000 2.453 189 S HA -0.075 4.395 4.470 -0.001 0.000 0.231 189 S C 1.464 176.068 174.600 0.007 0.000 1.005 189 S CA 0.702 58.917 58.200 0.025 0.000 0.949 189 S CB -0.819 62.399 63.200 0.030 0.000 0.774 189 S HN 0.295 nan 8.310 nan 0.000 0.510 190 E N 0.541 120.748 120.200 0.012 0.000 2.474 190 E HA 0.326 4.676 4.350 -0.001 0.000 0.195 190 E C -0.286 176.293 176.600 -0.035 0.000 1.039 190 E CA -0.116 56.284 56.400 -0.000 0.000 0.881 190 E CB 0.161 29.873 29.700 0.020 0.000 0.970 190 E HN 0.487 nan 8.360 nan 0.000 0.486 191 L N 1.020 122.203 121.223 -0.068 0.000 2.334 191 L HA 0.314 4.653 4.340 -0.001 0.000 0.273 191 L C 0.076 176.885 176.870 -0.101 0.000 1.013 191 L CA -1.053 53.700 54.840 -0.143 0.000 0.816 191 L CB 1.530 43.417 42.059 -0.287 0.000 1.278 191 L HN -0.115 nan 8.230 nan 0.000 0.431 192 D N 0.647 120.986 120.400 -0.101 0.000 2.362 192 D HA 0.130 4.769 4.640 -0.001 0.000 0.238 192 D C 0.902 177.168 176.300 -0.057 0.000 1.212 192 D CA 0.650 54.615 54.000 -0.059 0.000 0.902 192 D CB 1.377 42.156 40.800 -0.036 0.000 1.180 192 D HN 0.598 nan 8.370 nan 0.000 0.445 193 A N 1.239 124.035 122.820 -0.040 0.000 2.019 193 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 193 A C 2.075 179.642 177.584 -0.028 0.000 1.164 193 A CA 1.858 53.871 52.037 -0.041 0.000 0.644 193 A CB -0.887 18.087 19.000 -0.043 0.000 0.805 193 A HN 0.580 nan 8.150 nan 0.000 0.449 194 S N -0.451 115.241 115.700 -0.014 0.000 2.442 194 S HA -0.098 4.372 4.470 -0.001 0.000 0.236 194 S C 1.669 176.279 174.600 0.017 0.000 1.007 194 S CA 1.262 59.464 58.200 0.004 0.000 0.965 194 S CB -0.766 62.449 63.200 0.025 0.000 0.773 194 S HN 0.244 nan 8.310 nan 0.000 0.504 195 V N 2.999 122.925 119.914 0.021 0.000 2.229 195 V HA -0.139 3.980 4.120 -0.001 0.000 0.243 195 V C 3.175 179.350 176.094 0.135 0.000 1.042 195 V CA 2.199 64.554 62.300 0.091 0.000 1.000 195 V CB -1.571 30.212 31.823 -0.066 0.000 0.637 195 V HN 0.830 nan 8.190 nan 0.000 0.446 196 T N -1.215 113.408 114.554 0.114 0.000 3.035 196 T HA 0.057 4.407 4.350 -0.001 0.000 0.268 196 T C 1.684 176.427 174.700 0.072 0.000 1.109 196 T CA 1.026 63.229 62.100 0.172 0.000 1.119 196 T CB -0.247 68.710 68.868 0.149 0.000 0.900 196 T HN 0.426 nan 8.240 nan 0.000 0.503 197 A N 1.673 124.499 122.820 0.010 0.000 2.172 197 A HA 0.104 4.423 4.320 -0.001 0.000 0.216 197 A C 2.469 180.045 177.584 -0.012 0.000 1.154 197 A CA 0.588 52.609 52.037 -0.026 0.000 0.701 197 A CB -0.605 18.374 19.000 -0.036 0.000 0.789 197 A HN 0.523 nan 8.150 nan 0.000 0.465 198 R N -0.821 119.687 120.500 0.014 0.000 2.152 198 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 198 R C -0.215 176.071 176.300 -0.023 0.000 1.117 198 R CA 1.000 57.098 56.100 -0.003 0.000 0.981 198 R CB -0.119 30.178 30.300 -0.005 0.000 0.870 198 R HN 0.303 nan 8.270 nan 0.000 0.451 199 V N 3.982 123.905 119.914 0.015 0.000 2.240 199 V HA 0.194 4.314 4.120 -0.001 0.000 0.265 199 V C -1.916 174.166 176.094 -0.019 0.000 1.073 199 V CA -1.789 60.482 62.300 -0.049 0.000 0.857 199 V CB 0.746 32.598 31.823 0.049 0.000 1.114 199 V HN 0.082 nan 8.190 nan 0.000 0.469 200 P HA 0.214 nan 4.420 nan 0.000 0.271 200 P C -0.158 177.078 177.300 -0.108 0.000 1.244 200 P CA 0.039 63.079 63.100 -0.101 0.000 0.793 200 P CB 0.731 32.367 31.700 -0.107 0.000 0.984 201 T N 0.953 115.427 114.554 -0.133 0.000 2.888 201 T HA 0.538 4.888 4.350 -0.001 0.000 0.284 201 T C 0.163 174.797 174.700 -0.110 0.000 1.017 201 T CA -0.691 61.316 62.100 -0.155 0.000 1.022 201 T CB 1.249 69.946 68.868 -0.286 0.000 1.013 201 T HN 0.313 nan 8.240 nan 0.000 0.465 202 R N 0.337 120.802 120.500 -0.058 0.000 2.750 202 R HA 0.549 4.888 4.340 -0.001 0.000 0.281 202 R C 0.949 177.307 176.300 0.097 0.000 0.972 202 R CA -0.711 55.383 56.100 -0.011 0.000 0.912 202 R CB 1.433 31.704 30.300 -0.048 0.000 1.187 202 R HN 0.829 nan 8.270 nan 0.000 0.464 203 T N -2.794 111.807 114.554 0.078 0.000 3.022 203 T HA -0.001 4.349 4.350 -0.001 0.000 0.250 203 T C 0.758 175.436 174.700 -0.035 0.000 1.060 203 T CA -0.084 62.067 62.100 0.085 0.000 1.013 203 T CB -0.170 68.743 68.868 0.076 0.000 0.982 203 T HN 0.582 nan 8.240 nan 0.000 0.508 204 N N 2.101 120.768 118.700 -0.055 0.000 2.386 204 N HA 0.219 4.959 4.740 -0.001 0.000 0.291 204 N C 0.487 175.949 175.510 -0.080 0.000 1.309 204 N CA -0.736 52.259 53.050 -0.092 0.000 0.948 204 N CB 0.209 38.643 38.487 -0.089 0.000 1.083 204 N HN 0.182 nan 8.380 nan 0.000 0.527 205 R N -1.887 118.563 120.500 -0.083 0.000 2.629 205 R HA 0.225 4.564 4.340 -0.001 0.000 0.386 205 R C -0.781 175.474 176.300 -0.075 0.000 1.071 205 R CA -0.503 55.551 56.100 -0.077 0.000 1.104 205 R CB -0.056 30.198 30.300 -0.076 0.000 1.370 205 R HN 0.532 nan 8.270 nan 0.000 0.574 206 D N 2.285 122.638 120.400 -0.078 0.000 2.401 206 D HA -0.038 4.602 4.640 -0.001 0.000 0.254 206 D C 0.452 176.695 176.300 -0.095 0.000 1.192 206 D CA 0.294 54.244 54.000 -0.083 0.000 0.885 206 D CB 0.766 41.515 40.800 -0.085 0.000 1.147 206 D HN 0.230 nan 8.370 nan 0.000 0.478 207 N N 2.971 121.614 118.700 -0.096 0.000 2.187 207 N HA 0.007 4.747 4.740 -0.001 0.000 0.212 207 N C 0.034 175.468 175.510 -0.125 0.000 1.152 207 N CA -0.366 52.619 53.050 -0.108 0.000 0.872 207 N CB 0.142 38.570 38.487 -0.098 0.000 1.025 207 N HN 0.146 nan 8.380 nan 0.000 0.514 208 R N 0.082 120.507 120.500 -0.125 0.000 2.590 208 R HA 0.041 4.381 4.340 -0.001 0.000 0.274 208 R C 0.446 176.634 176.300 -0.187 0.000 1.061 208 R CA -0.277 55.739 56.100 -0.140 0.000 1.081 208 R CB 0.429 30.668 30.300 -0.103 0.000 0.984 208 R HN 0.082 nan 8.270 nan 0.000 0.448 209 Y N 1.925 121.956 120.300 -0.449 0.000 2.373 209 Y HA 0.042 4.591 4.550 -0.000 0.000 0.293 209 Y C -0.264 175.151 175.900 -0.808 0.000 1.129 209 Y CA 1.087 58.777 58.100 -0.684 0.000 1.226 209 Y CB 0.401 38.307 38.460 -0.922 0.000 1.000 209 Y HN 0.377 nan 8.280 nan 0.000 0.549 210 F N -1.979 117.918 119.950 -0.090 0.000 2.563 210 F HA 0.585 5.112 4.527 -0.001 0.000 0.316 210 F C 0.545 176.257 175.800 -0.146 0.000 1.076 210 F CA -0.804 57.079 58.000 -0.195 0.000 0.921 210 F CB 1.569 40.390 39.000 -0.298 0.000 1.209 210 F HN -0.250 nan 8.300 nan 0.000 0.462 211 A N 0.405 123.251 122.820 0.044 0.000 2.535 211 A HA 0.289 4.608 4.320 -0.001 0.000 0.273 211 A C -0.430 177.134 177.584 -0.033 0.000 1.267 211 A CA -0.400 51.625 52.037 -0.020 0.000 0.940 211 A CB -0.701 18.268 19.000 -0.052 0.000 1.101 211 A HN 0.669 nan 8.150 nan 0.000 0.521 212 D N 0.134 120.532 120.400 -0.003 0.000 2.423 212 D HA 0.169 4.809 4.640 -0.001 0.000 0.238 212 D C 1.277 177.489 176.300 -0.146 0.000 1.142 212 D CA 0.571 54.538 54.000 -0.054 0.000 0.884 212 D CB 0.683 41.469 40.800 -0.024 0.000 1.199 212 D HN 0.117 nan 8.370 nan 0.000 0.438 213 T N 0.591 114.993 114.554 -0.255 0.000 2.746 213 T HA -0.168 4.182 4.350 -0.001 0.000 0.267 213 T C 0.368 174.623 174.700 -0.742 0.000 1.039 213 T CA 1.284 63.057 62.100 -0.544 0.000 1.142 213 T CB -0.268 68.117 68.868 -0.805 0.000 0.866 213 T HN 0.374 nan 8.240 nan 0.000 0.444 214 Y N 1.646 121.771 120.300 -0.293 0.000 2.478 214 Y HA 0.486 5.036 4.550 -0.000 0.000 0.329 214 Y C 0.088 175.805 175.900 -0.306 0.000 0.967 214 Y CA -1.009 56.792 58.100 -0.499 0.000 1.255 214 Y CB 0.641 38.544 38.460 -0.929 0.000 1.103 214 Y HN 0.033 nan 8.280 nan 0.000 0.497 215 Q N 3.010 122.766 119.800 -0.075 0.000 2.339 215 Q HA 0.856 5.196 4.340 -0.001 0.000 0.268 215 Q C -1.062 175.050 176.000 0.187 0.000 1.027 215 Q CA -0.866 54.991 55.803 0.090 0.000 0.759 215 Q CB 2.262 31.059 28.738 0.100 0.000 1.244 215 Q HN 0.760 nan 8.270 nan 0.000 0.464 216 A N 2.839 125.871 122.820 0.354 0.000 2.608 216 A HA 0.729 5.049 4.320 -0.001 0.000 0.292 216 A C -1.441 176.548 177.584 0.676 0.000 1.066 216 A CA -0.758 51.565 52.037 0.476 0.000 0.676 216 A CB 1.552 20.811 19.000 0.431 0.000 1.277 216 A HN 0.534 nan 8.150 nan 0.000 0.413 217 M N 1.240 121.186 119.600 0.577 0.000 2.472 217 M HA 0.398 4.878 4.480 -0.001 0.000 0.331 217 M C -2.573 173.852 176.300 0.208 0.000 1.170 217 M CA -2.409 53.131 55.300 0.399 0.000 1.009 217 M CB 0.909 33.639 32.600 0.217 0.000 1.672 217 M HN 0.281 nan 8.290 nan 0.000 0.453 218 P HA -0.034 nan 4.420 nan 0.000 0.260 218 P C 0.883 177.963 177.300 -0.366 0.000 1.185 218 P CA -0.038 62.745 63.100 -0.528 0.000 0.763 218 P CB 0.212 31.488 31.700 -0.705 0.000 0.776 219 L N 4.728 125.706 121.223 -0.409 0.000 2.081 219 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 219 L C 1.256 177.820 176.870 -0.510 0.000 1.080 219 L CA 2.156 56.732 54.840 -0.440 0.000 0.754 219 L CB -0.813 40.891 42.059 -0.591 0.000 0.893 219 L HN 0.474 nan 8.230 nan 0.000 0.433 220 H N -0.749 118.223 119.070 -0.162 0.000 2.581 220 H HA 0.540 5.096 4.556 -0.000 0.000 0.275 220 H C 0.877 176.128 175.328 -0.128 0.000 1.126 220 H CA 0.370 56.355 56.048 -0.105 0.000 1.097 220 H CB -0.231 29.482 29.762 -0.082 0.000 1.626 220 H HN 0.351 nan 8.280 nan 0.000 0.565 221 G N 0.028 108.739 108.800 -0.149 0.000 2.707 221 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.686 221 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.686 221 G C 0.109 174.866 174.900 -0.239 0.000 1.315 221 G CA -0.399 44.584 45.100 -0.196 0.000 0.832 221 G HN 0.240 nan 8.290 nan 0.000 0.573 222 Y N 0.317 120.583 120.300 -0.058 0.000 2.163 222 Y HA -0.081 4.469 4.550 -0.001 0.000 0.288 222 Y C 3.429 179.396 175.900 0.111 0.000 1.136 222 Y CA 2.404 60.497 58.100 -0.011 0.000 1.147 222 Y CB -0.539 37.971 38.460 0.084 0.000 0.987 222 Y HN 0.655 nan 8.280 nan 0.000 0.509 223 T N 0.260 114.954 114.554 0.233 0.000 2.665 223 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 223 T C 1.971 176.755 174.700 0.140 0.000 1.035 223 T CA 1.411 63.641 62.100 0.215 0.000 1.151 223 T CB -0.196 68.708 68.868 0.060 0.000 0.862 223 T HN 0.209 nan 8.240 nan 0.000 0.438 224 R N 0.552 121.079 120.500 0.045 0.000 2.105 224 R HA 0.036 4.376 4.340 -0.001 0.000 0.239 224 R C 2.428 178.701 176.300 -0.045 0.000 1.135 224 R CA 1.033 57.135 56.100 0.003 0.000 0.967 224 R CB -0.739 29.563 30.300 0.002 0.000 0.861 224 R HN 0.472 nan 8.270 nan 0.000 0.442 225 M N -0.355 119.174 119.600 -0.117 0.000 2.099 225 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 225 M C 1.730 177.858 176.300 -0.287 0.000 1.067 225 M CA 1.749 56.901 55.300 -0.247 0.000 1.124 225 M CB -0.157 32.195 32.600 -0.412 0.000 1.353 225 M HN -0.029 nan 8.290 nan 0.000 0.410 226 F N 0.761 120.612 119.950 -0.165 0.000 2.171 226 F HA -0.254 4.273 4.527 -0.001 0.000 0.300 226 F C 2.538 178.235 175.800 -0.171 0.000 1.090 226 F CA 1.650 59.524 58.000 -0.211 0.000 1.293 226 F CB -0.540 38.349 39.000 -0.185 0.000 1.013 226 F HN 0.263 nan 8.300 nan 0.000 0.486 227 Q N 0.034 119.874 119.800 0.068 0.000 2.096 227 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 227 Q C 1.909 177.893 176.000 -0.027 0.000 0.982 227 Q CA 1.556 57.369 55.803 0.018 0.000 0.850 227 Q CB -0.295 28.455 28.738 0.021 0.000 0.901 227 Q HN 0.367 nan 8.270 nan 0.000 0.422 228 N N 0.178 118.851 118.700 -0.044 0.000 2.244 228 N HA -0.120 4.620 4.740 -0.001 0.000 0.183 228 N C 1.510 176.975 175.510 -0.074 0.000 1.016 228 N CA 1.024 54.067 53.050 -0.012 0.000 0.866 228 N CB -0.117 38.402 38.487 0.053 0.000 0.980 228 N HN 0.252 nan 8.380 nan 0.000 0.430 229 M N -0.041 119.369 119.600 -0.316 0.000 2.319 229 M HA 0.029 4.508 4.480 -0.001 0.000 0.265 229 M C 0.619 176.746 176.300 -0.289 0.000 1.068 229 M CA 1.126 56.042 55.300 -0.639 0.000 1.118 229 M CB 0.251 32.407 32.600 -0.741 0.000 1.395 229 M HN 0.001 nan 8.290 nan 0.000 0.435 230 L N -0.917 120.220 121.223 -0.144 0.000 2.965 230 L HA 0.186 4.526 4.340 -0.001 0.000 0.254 230 L C 1.810 178.653 176.870 -0.046 0.000 1.220 230 L CA -0.250 54.539 54.840 -0.084 0.000 1.023 230 L CB -0.156 41.866 42.059 -0.062 0.000 1.355 230 L HN 0.242 nan 8.230 nan 0.000 0.545 231 S N -1.814 113.865 115.700 -0.035 0.000 2.428 231 S HA -0.083 4.387 4.470 -0.001 0.000 0.230 231 S C 1.256 175.856 174.600 0.000 0.000 1.014 231 S CA 0.238 58.431 58.200 -0.010 0.000 0.957 231 S CB -0.145 63.056 63.200 0.001 0.000 0.784 231 S HN 0.371 nan 8.310 nan 0.000 0.499 232 S N 3.215 118.916 115.700 0.002 0.000 2.571 232 S HA 0.073 4.543 4.470 -0.001 0.000 0.298 232 S C -1.584 173.028 174.600 0.020 0.000 1.280 232 S CA -0.750 57.458 58.200 0.014 0.000 1.052 232 S CB 0.483 63.691 63.200 0.013 0.000 0.799 232 S HN 0.204 nan 8.310 nan 0.000 0.501 233 P HA 0.046 nan 4.420 nan 0.000 0.229 233 P C 0.545 177.877 177.300 0.053 0.000 1.160 233 P CA 0.597 63.718 63.100 0.035 0.000 0.777 233 P CB 0.045 31.765 31.700 0.032 0.000 0.814 234 N N -0.513 118.221 118.700 0.057 0.000 2.461 234 N HA 0.056 4.796 4.740 -0.001 0.000 0.188 234 N C 0.349 175.914 175.510 0.091 0.000 1.134 234 N CA 0.456 53.556 53.050 0.083 0.000 0.878 234 N CB 0.044 38.579 38.487 0.081 0.000 0.972 234 N HN 0.268 nan 8.380 nan 0.000 0.456 235 I N 1.488 122.091 120.570 0.054 0.000 2.355 235 I HA 0.182 4.352 4.170 -0.001 0.000 0.288 235 I C -0.189 175.942 176.117 0.022 0.000 0.999 235 I CA -0.725 60.590 61.300 0.025 0.000 1.163 235 I CB 1.160 39.151 38.000 -0.015 0.000 1.316 235 I HN -0.378 nan 8.210 nan 0.000 0.454 236 K N 6.250 126.656 120.400 0.011 0.000 2.185 236 K HA 0.580 4.899 4.320 -0.001 0.000 0.269 236 K C -0.775 175.780 176.600 -0.075 0.000 0.987 236 K CA -0.709 55.578 56.287 0.001 0.000 0.865 236 K CB 2.667 35.208 32.500 0.069 0.000 1.090 236 K HN 0.262 nan 8.250 nan 0.000 0.450 237 V N 3.731 123.612 119.914 -0.055 0.000 2.435 237 V HA 0.449 4.569 4.120 -0.001 0.000 0.290 237 V C -0.151 175.899 176.094 -0.074 0.000 1.030 237 V CA -0.790 61.462 62.300 -0.080 0.000 0.881 237 V CB 1.516 33.298 31.823 -0.068 0.000 0.983 237 V HN 0.742 nan 8.190 nan 0.000 0.445 238 M N 6.092 125.634 119.600 -0.097 0.000 2.093 238 M HA 0.583 5.063 4.480 -0.001 0.000 0.297 238 M C -1.618 174.626 176.300 -0.092 0.000 0.938 238 M CA -0.294 54.959 55.300 -0.078 0.000 0.920 238 M CB 1.147 33.701 32.600 -0.077 0.000 1.517 238 M HN 0.540 nan 8.290 nan 0.000 0.427 239 L N 3.169 124.343 121.223 -0.082 0.000 2.331 239 L HA 0.531 4.871 4.340 -0.001 0.000 0.268 239 L C 0.731 177.553 176.870 -0.081 0.000 1.015 239 L CA -0.854 53.923 54.840 -0.104 0.000 0.807 239 L CB 1.245 43.237 42.059 -0.111 0.000 1.293 239 L HN 0.910 nan 8.230 nan 0.000 0.451 240 N N -0.255 118.387 118.700 -0.097 0.000 2.747 240 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 240 N C -1.081 174.399 175.510 -0.051 0.000 1.107 240 N CA 1.010 54.019 53.050 -0.069 0.000 0.707 240 N CB -0.597 37.862 38.487 -0.046 0.000 1.054 240 N HN 0.773 nan 8.380 nan 0.000 0.555 241 T N -0.054 114.464 114.554 -0.061 0.000 2.937 241 T HA 0.180 4.530 4.350 -0.001 0.000 0.297 241 T C -1.046 173.628 174.700 -0.042 0.000 0.991 241 T CA -0.778 61.295 62.100 -0.045 0.000 0.990 241 T CB 1.885 70.728 68.868 -0.042 0.000 0.991 241 T HN 0.105 nan 8.240 nan 0.000 0.440 242 D N 1.721 122.095 120.400 -0.043 0.000 2.264 242 D HA 0.088 4.727 4.640 -0.001 0.000 0.250 242 D C 1.170 177.427 176.300 -0.071 0.000 1.113 242 D CA -0.617 53.361 54.000 -0.038 0.000 0.871 242 D CB 0.852 41.603 40.800 -0.083 0.000 1.167 242 D HN 0.712 nan 8.370 nan 0.000 0.447 243 Y N 3.616 123.868 120.300 -0.080 0.000 2.298 243 Y HA -0.143 4.407 4.550 -0.001 0.000 0.287 243 Y C 1.835 177.663 175.900 -0.120 0.000 1.164 243 Y CA 0.995 59.028 58.100 -0.113 0.000 1.229 243 Y CB -0.256 38.147 38.460 -0.096 0.000 0.977 243 Y HN 0.297 nan 8.280 nan 0.000 0.538 244 R N 0.882 120.820 120.500 -0.937 0.000 2.237 244 R HA -0.085 4.254 4.340 -0.001 0.000 0.219 244 R C 1.551 177.645 176.300 -0.343 0.000 1.080 244 R CA 1.400 57.059 56.100 -0.736 0.000 0.995 244 R CB -0.229 29.641 30.300 -0.716 0.000 0.875 244 R HN 0.664 nan 8.270 nan 0.000 0.462 245 E N 0.371 120.425 120.200 -0.244 0.000 2.385 245 E HA -0.037 4.312 4.350 -0.001 0.000 0.194 245 E C 1.712 178.212 176.600 -0.167 0.000 1.013 245 E CA 0.705 57.032 56.400 -0.122 0.000 0.866 245 E CB 0.265 29.934 29.700 -0.053 0.000 0.832 245 E HN 0.502 nan 8.360 nan 0.000 0.500 246 I N -3.383 116.999 120.570 -0.313 0.000 4.323 246 I HA 0.370 4.540 4.170 -0.001 0.000 0.328 246 I C 2.169 177.895 176.117 -0.652 0.000 1.310 246 I CA -0.002 60.886 61.300 -0.686 0.000 1.186 246 I CB 0.309 38.101 38.000 -0.347 0.000 1.130 246 I HN -0.154 nan 8.210 nan 0.000 0.411 247 A N 1.577 124.230 122.820 -0.277 0.000 2.131 247 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 247 A C 1.603 179.152 177.584 -0.057 0.000 1.158 247 A CA 2.107 54.135 52.037 -0.014 0.000 0.665 247 A CB -0.664 18.376 19.000 0.067 0.000 0.795 247 A HN 0.470 nan 8.150 nan 0.000 0.460 248 D N -1.412 118.859 120.400 -0.214 0.000 2.289 248 D HA 0.044 4.683 4.640 -0.001 0.000 0.207 248 D C 1.148 177.467 176.300 0.032 0.000 0.966 248 D CA 1.328 55.291 54.000 -0.062 0.000 0.868 248 D CB -0.061 40.764 40.800 0.041 0.000 0.943 248 D HN 0.745 nan 8.370 nan 0.000 0.514 249 F N -1.920 118.069 119.950 0.064 0.000 2.880 249 F HA 0.400 4.927 4.527 -0.000 0.000 0.346 249 F C 0.305 176.157 175.800 0.088 0.000 1.054 249 F CA -0.593 57.439 58.000 0.054 0.000 1.151 249 F CB 0.211 39.234 39.000 0.038 0.000 1.066 249 F HN -0.310 nan 8.300 nan 0.000 0.566 250 I N 4.240 124.814 120.570 0.005 0.000 2.315 250 I HA 0.339 4.509 4.170 -0.001 0.000 0.291 250 I C -2.397 173.876 176.117 0.261 0.000 1.006 250 I CA -1.937 59.487 61.300 0.207 0.000 1.265 250 I CB 1.099 39.226 38.000 0.213 0.000 1.387 250 I HN -0.204 nan 8.210 nan 0.000 0.475 251 P HA 0.239 nan 4.420 nan 0.000 0.276 251 P C -1.085 176.366 177.300 0.252 0.000 1.243 251 P CA 0.068 63.213 63.100 0.075 0.000 0.768 251 P CB 0.211 31.927 31.700 0.026 0.000 0.856 252 F N -0.046 119.968 119.950 0.106 0.000 2.613 252 F HA 0.511 5.038 4.527 -0.001 0.000 0.310 252 F C 0.840 176.660 175.800 0.035 0.000 1.085 252 F CA -0.969 57.101 58.000 0.117 0.000 0.945 252 F CB 1.004 40.076 39.000 0.119 0.000 1.298 252 F HN -0.003 nan 8.300 nan 0.000 0.455 253 Q N 0.521 120.411 119.800 0.150 0.000 2.123 253 Q HA 0.055 4.395 4.340 -0.001 0.000 0.196 253 Q C -0.366 175.692 176.000 0.097 0.000 0.958 253 Q CA 1.362 57.181 55.803 0.026 0.000 0.841 253 Q CB -0.005 28.718 28.738 -0.025 0.000 0.915 253 Q HN 0.877 nan 8.270 nan 0.000 0.455 254 H N -1.309 117.769 119.070 0.013 0.000 2.930 254 H HA 0.525 5.080 4.556 -0.001 0.000 0.371 254 H C -1.399 174.006 175.328 0.128 0.000 1.169 254 H CA -0.468 55.575 56.048 -0.008 0.000 1.157 254 H CB 1.570 31.134 29.762 -0.330 0.000 1.789 254 H HN -0.036 nan 8.280 nan 0.000 0.547 255 M N 5.383 124.882 119.600 -0.169 0.000 2.436 255 M HA 0.507 4.987 4.480 -0.001 0.000 0.331 255 M C -1.549 174.701 176.300 -0.082 0.000 1.135 255 M CA -0.752 54.462 55.300 -0.144 0.000 0.987 255 M CB 1.021 33.488 32.600 -0.221 0.000 1.687 255 M HN 0.608 nan 8.290 nan 0.000 0.445 256 I N 4.300 124.841 120.570 -0.048 0.000 2.418 256 I HA 0.299 4.469 4.170 -0.001 0.000 0.287 256 I C -1.688 174.296 176.117 -0.221 0.000 1.008 256 I CA -0.712 60.542 61.300 -0.076 0.000 1.104 256 I CB 1.648 39.665 38.000 0.029 0.000 1.264 256 I HN 0.629 nan 8.210 nan 0.000 0.438 257 Y N 5.378 125.353 120.300 -0.542 0.000 2.364 257 Y HA 0.368 4.918 4.550 -0.001 0.000 0.340 257 Y C 0.840 176.517 175.900 -0.373 0.000 0.975 257 Y CA -0.518 57.216 58.100 -0.610 0.000 1.089 257 Y CB 1.819 39.641 38.460 -1.063 0.000 1.192 257 Y HN 0.634 nan 8.280 nan 0.000 0.454 258 T N 0.914 114.967 114.554 -0.835 0.000 3.043 258 T HA 0.378 4.728 4.350 -0.001 0.000 0.272 258 T C 0.806 175.113 174.700 -0.655 0.000 0.990 258 T CA 0.233 62.012 62.100 -0.536 0.000 0.897 258 T CB -0.281 68.416 68.868 -0.285 0.000 1.111 258 T HN 0.756 nan 8.240 nan 0.000 0.529 259 G N 2.385 110.401 108.800 -1.307 0.000 2.525 259 G HA2 0.529 4.489 3.960 -0.001 0.000 0.276 259 G HA3 0.529 4.489 3.960 -0.001 0.000 0.276 259 G C -2.769 171.981 174.900 -0.250 0.000 1.388 259 G CA -1.443 43.219 45.100 -0.730 0.000 1.050 259 G HN 0.228 nan 8.290 nan 0.000 0.520 260 P HA 0.154 nan 4.420 nan 0.000 0.271 260 P C 1.151 178.686 177.300 0.391 0.000 1.216 260 P CA -0.386 62.769 63.100 0.091 0.000 0.771 260 P CB 1.219 32.835 31.700 -0.141 0.000 0.864 261 V N 1.169 121.339 119.914 0.428 0.000 2.379 261 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 261 V C 1.817 177.951 176.094 0.066 0.000 1.044 261 V CA 2.109 64.625 62.300 0.360 0.000 1.036 261 V CB -1.570 30.460 31.823 0.347 0.000 0.664 261 V HN 0.465 nan 8.190 nan 0.000 0.453 262 D N 2.565 122.848 120.400 -0.194 0.000 2.149 262 D HA -0.171 4.468 4.640 -0.001 0.000 0.198 262 D C 1.998 177.944 176.300 -0.591 0.000 0.990 262 D CA 1.985 55.609 54.000 -0.626 0.000 0.839 262 D CB -0.521 40.142 40.800 -0.229 0.000 0.948 262 D HN 0.516 nan 8.370 nan 0.000 0.460 263 A N -0.111 122.408 122.820 -0.502 0.000 1.930 263 A HA -0.038 4.282 4.320 -0.001 0.000 0.217 263 A C 2.103 179.406 177.584 -0.468 0.000 1.175 263 A CA 1.036 52.560 52.037 -0.855 0.000 0.627 263 A CB -1.227 17.667 19.000 -0.176 0.000 0.815 263 A HN 0.267 nan 8.150 nan 0.000 0.443 264 F N -0.674 119.046 119.950 -0.383 0.000 2.216 264 F HA -0.061 4.466 4.527 -0.001 0.000 0.300 264 F C 0.907 176.329 175.800 -0.631 0.000 1.085 264 F CA 1.225 58.878 58.000 -0.578 0.000 1.326 264 F CB -0.054 38.405 39.000 -0.902 0.000 1.027 264 F HN 0.185 nan 8.300 nan 0.000 0.497 265 F N 0.833 120.752 119.950 -0.051 0.000 2.837 265 F HA 0.202 4.728 4.527 -0.000 0.000 0.298 265 F C 0.330 176.049 175.800 -0.135 0.000 1.161 265 F CA -0.508 57.466 58.000 -0.043 0.000 1.353 265 F CB -0.524 38.569 39.000 0.156 0.000 0.951 265 F HN -0.122 nan 8.300 nan 0.000 0.508 266 D N -0.270 120.002 120.400 -0.215 0.000 2.882 266 D HA -0.298 4.342 4.640 -0.001 0.000 0.229 266 D C 0.252 176.586 176.300 0.057 0.000 1.167 266 D CA 1.055 54.954 54.000 -0.168 0.000 0.759 266 D CB -1.744 39.038 40.800 -0.030 0.000 1.088 266 D HN 0.445 nan 8.370 nan 0.000 0.425 267 F N -3.233 116.836 119.950 0.199 0.000 3.057 267 F HA -0.383 4.144 4.527 -0.001 0.000 0.287 267 F C 2.375 178.312 175.800 0.228 0.000 0.834 267 F CA 0.526 58.680 58.000 0.256 0.000 1.147 267 F CB -2.771 36.327 39.000 0.163 0.000 1.245 267 F HN 0.417 nan 8.300 nan 0.000 0.509 268 C N -2.412 117.015 119.300 0.213 0.000 2.403 268 C HA -0.196 4.264 4.460 -0.001 0.000 0.279 268 C C 2.007 176.945 174.990 -0.085 0.000 1.269 268 C CA 1.163 60.149 59.018 -0.054 0.000 1.774 268 C CB -1.338 26.212 27.740 -0.316 0.000 1.993 268 C HN 0.522 nan 8.230 nan 0.000 0.496 269 Y N 2.696 123.033 120.300 0.062 0.000 2.571 269 Y HA 0.484 5.033 4.550 -0.000 0.000 0.275 269 Y C 1.519 177.492 175.900 0.123 0.000 1.179 269 Y CA -0.176 57.872 58.100 -0.087 0.000 1.242 269 Y CB -0.850 37.291 38.460 -0.531 0.000 1.126 269 Y HN 0.720 nan 8.280 nan 0.000 0.524 270 G N 0.640 109.669 108.800 0.382 0.000 2.746 270 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.685 270 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.685 270 G C -0.816 174.344 174.900 0.434 0.000 1.350 270 G CA -1.094 44.203 45.100 0.328 0.000 0.837 270 G HN 0.194 nan 8.290 nan 0.000 0.564 271 K N 0.091 120.659 120.400 0.281 0.000 2.412 271 K HA 0.430 4.750 4.320 -0.001 0.000 0.284 271 K C 0.813 177.580 176.600 0.279 0.000 1.046 271 K CA -0.279 56.173 56.287 0.276 0.000 0.999 271 K CB 0.267 32.830 32.500 0.104 0.000 0.941 271 K HN 0.525 nan 8.250 nan 0.000 0.474 272 L N 8.111 129.517 121.223 0.305 0.000 2.418 272 L HA 0.209 4.549 4.340 -0.001 0.000 0.274 272 L C -1.950 175.014 176.870 0.158 0.000 1.135 272 L CA -2.023 52.905 54.840 0.146 0.000 0.870 272 L CB 0.802 42.864 42.059 0.004 0.000 1.154 272 L HN 0.612 nan 8.230 nan 0.000 0.462 273 P HA 0.065 nan 4.420 nan 0.000 0.266 273 P C -1.509 175.857 177.300 0.110 0.000 1.215 273 P CA 0.430 63.629 63.100 0.165 0.000 0.763 273 P CB 0.157 31.955 31.700 0.163 0.000 0.806 274 Y N 2.011 122.459 120.300 0.246 0.000 2.376 274 Y HA 0.493 5.043 4.550 -0.000 0.000 0.340 274 Y C 0.907 176.904 175.900 0.161 0.000 0.965 274 Y CA -1.029 57.192 58.100 0.203 0.000 1.078 274 Y CB 1.789 40.341 38.460 0.153 0.000 1.193 274 Y HN 0.161 nan 8.280 nan 0.000 0.452 275 R N 1.400 122.095 120.500 0.324 0.000 2.441 275 R HA 0.510 4.849 4.340 -0.001 0.000 0.284 275 R C -0.245 176.217 176.300 0.271 0.000 1.070 275 R CA 0.035 56.266 56.100 0.218 0.000 1.047 275 R CB 1.048 31.368 30.300 0.032 0.000 1.016 275 R HN 0.689 nan 8.270 nan 0.000 0.477 276 S N 2.345 118.163 115.700 0.196 0.000 2.806 276 S HA 0.796 5.266 4.470 -0.001 0.000 0.315 276 S C -1.314 173.471 174.600 0.308 0.000 1.127 276 S CA -0.745 57.601 58.200 0.242 0.000 0.918 276 S CB 0.649 63.895 63.200 0.076 0.000 1.240 276 S HN 0.410 nan 8.310 nan 0.000 0.552 277 L N 1.122 122.586 121.223 0.402 0.000 2.465 277 L HA 0.558 4.898 4.340 -0.001 0.000 0.257 277 L C -1.009 175.815 176.870 -0.077 0.000 0.988 277 L CA -0.565 54.299 54.840 0.041 0.000 0.827 277 L CB 2.258 44.152 42.059 -0.275 0.000 1.397 277 L HN 0.702 nan 8.230 nan 0.000 0.410 278 E N 1.440 121.518 120.200 -0.203 0.000 2.176 278 E HA 0.513 4.863 4.350 -0.001 0.000 0.267 278 E C -1.799 174.670 176.600 -0.218 0.000 0.893 278 E CA -0.568 55.763 56.400 -0.114 0.000 0.761 278 E CB 1.306 30.994 29.700 -0.020 0.000 1.133 278 E HN 0.323 nan 8.360 nan 0.000 0.409 279 F N 3.108 123.151 119.950 0.155 0.000 2.415 279 F HA 0.470 4.997 4.527 -0.000 0.000 0.348 279 F C 0.438 176.250 175.800 0.021 0.000 1.119 279 F CA -0.824 57.218 58.000 0.069 0.000 1.069 279 F CB 1.395 40.400 39.000 0.007 0.000 1.124 279 F HN 0.236 nan 8.300 nan 0.000 0.472 280 R N 3.047 123.656 120.500 0.181 0.000 2.310 280 R HA 0.340 4.679 4.340 -0.001 0.000 0.324 280 R C -0.767 175.587 176.300 0.090 0.000 0.955 280 R CA -0.721 55.462 56.100 0.140 0.000 0.830 280 R CB 0.967 31.346 30.300 0.132 0.000 1.154 280 R HN 0.636 nan 8.270 nan 0.000 0.458 281 H N 1.706 120.889 119.070 0.189 0.000 2.483 281 H HA 0.330 4.886 4.556 -0.000 0.000 0.338 281 H C -0.488 174.905 175.328 0.108 0.000 1.152 281 H CA -0.260 55.880 56.048 0.153 0.000 1.264 281 H CB 2.135 31.955 29.762 0.097 0.000 1.510 281 H HN 0.514 nan 8.280 nan 0.000 0.530 282 E N 0.686 121.015 120.200 0.214 0.000 2.321 282 E HA 0.243 4.593 4.350 -0.001 0.000 0.281 282 E C -1.336 175.264 176.600 0.001 0.000 0.910 282 E CA -0.543 55.902 56.400 0.075 0.000 0.770 282 E CB 1.924 31.717 29.700 0.156 0.000 1.225 282 E HN 0.465 nan 8.360 nan 0.000 0.417 283 T N 2.440 116.912 114.554 -0.137 0.000 2.797 283 T HA 0.432 4.782 4.350 -0.001 0.000 0.279 283 T C -1.118 173.415 174.700 -0.277 0.000 0.991 283 T CA -0.544 61.481 62.100 -0.125 0.000 0.979 283 T CB 0.634 69.447 68.868 -0.092 0.000 0.943 283 T HN 0.336 nan 8.240 nan 0.000 0.444 284 H N 0.803 119.868 119.070 -0.009 0.000 2.495 284 H HA 0.315 4.871 4.556 -0.000 0.000 0.348 284 H C -0.291 175.031 175.328 -0.010 0.000 1.113 284 H CA -0.701 55.347 56.048 0.000 0.000 1.195 284 H CB 1.255 31.023 29.762 0.010 0.000 1.521 284 H HN 0.469 nan 8.280 nan 0.000 0.509 285 D N 1.899 122.368 120.400 0.115 0.000 2.885 285 D HA 0.059 4.699 4.640 -0.001 0.000 0.234 285 D C -0.447 175.903 176.300 0.083 0.000 1.129 285 D CA 0.356 54.400 54.000 0.073 0.000 0.991 285 D CB -0.211 40.629 40.800 0.068 0.000 1.137 285 D HN 0.489 nan 8.370 nan 0.000 0.459 286 T N -1.508 113.094 114.554 0.081 0.000 2.802 286 T HA 0.180 4.529 4.350 -0.001 0.000 0.311 286 T C 0.656 175.387 174.700 0.052 0.000 1.405 286 T CA -0.579 61.559 62.100 0.064 0.000 1.016 286 T CB 1.271 70.170 68.868 0.052 0.000 1.352 286 T HN 0.004 nan 8.240 nan 0.000 0.498 287 E N 0.425 120.652 120.200 0.045 0.000 2.158 287 E HA 0.044 4.394 4.350 -0.001 0.000 0.191 287 E C 0.589 177.192 176.600 0.004 0.000 0.982 287 E CA 0.489 56.910 56.400 0.035 0.000 0.823 287 E CB 0.383 30.104 29.700 0.036 0.000 0.766 287 E HN 0.521 nan 8.360 nan 0.000 0.468 288 Q N -0.052 119.752 119.800 0.006 0.000 2.340 288 Q HA 0.264 4.603 4.340 -0.001 0.000 0.276 288 Q C -0.642 175.361 176.000 0.006 0.000 1.048 288 Q CA -0.242 55.562 55.803 0.001 0.000 0.832 288 Q CB 1.914 30.654 28.738 0.004 0.000 1.373 288 Q HN 0.063 nan 8.270 nan 0.000 0.409 289 L N 2.788 124.016 121.223 0.008 0.000 2.624 289 L HA 0.457 4.797 4.340 -0.001 0.000 0.222 289 L C -0.796 176.067 176.870 -0.012 0.000 1.046 289 L CA 0.462 55.277 54.840 -0.043 0.000 0.872 289 L CB 0.991 42.977 42.059 -0.120 0.000 1.190 289 L HN 0.569 nan 8.230 nan 0.000 0.487 290 L N 0.193 121.441 121.223 0.041 0.000 2.334 290 L HA 0.393 4.733 4.340 -0.001 0.000 0.273 290 L C -1.659 175.234 176.870 0.039 0.000 1.013 290 L CA -1.732 53.109 54.840 0.002 0.000 0.816 290 L CB 1.143 43.153 42.059 -0.081 0.000 1.278 290 L HN -0.187 nan 8.230 nan 0.000 0.431 291 P HA -0.029 nan 4.420 nan 0.000 0.225 291 P C 0.154 177.362 177.300 -0.154 0.000 1.156 291 P CA 0.819 63.895 63.100 -0.041 0.000 0.787 291 P CB 0.246 31.912 31.700 -0.056 0.000 0.802 292 T N -6.731 107.608 114.554 -0.359 0.000 2.696 292 T HA 0.536 4.886 4.350 -0.001 0.000 0.291 292 T C 1.384 175.601 174.700 -0.805 0.000 1.095 292 T CA -0.187 61.558 62.100 -0.592 0.000 1.026 292 T CB 0.842 69.504 68.868 -0.343 0.000 1.390 292 T HN -0.095 nan 8.240 nan 0.000 0.513 293 G N 0.264 108.736 108.800 -0.547 0.000 2.440 293 G HA2 0.232 4.192 3.960 -0.001 0.000 0.218 293 G HA3 0.232 4.192 3.960 -0.001 0.000 0.218 293 G C 0.358 175.183 174.900 -0.125 0.000 1.154 293 G CA 1.037 46.029 45.100 -0.181 0.000 0.767 293 G HN 0.914 nan 8.290 nan 0.000 0.552 294 T N -0.797 113.644 114.554 -0.190 0.000 2.912 294 T HA 0.523 4.873 4.350 -0.001 0.000 0.299 294 T C -1.205 173.383 174.700 -0.187 0.000 1.052 294 T CA -0.462 61.553 62.100 -0.142 0.000 0.996 294 T CB 2.867 71.714 68.868 -0.035 0.000 1.070 294 T HN -0.059 nan 8.240 nan 0.000 0.465 295 V N 3.828 123.666 119.914 -0.128 0.000 2.409 295 V HA 0.453 4.572 4.120 -0.001 0.000 0.291 295 V C -0.354 175.681 176.094 -0.098 0.000 1.020 295 V CA -1.022 61.187 62.300 -0.151 0.000 0.848 295 V CB 1.645 33.382 31.823 -0.143 0.000 0.990 295 V HN 0.746 nan 8.190 nan 0.000 0.430 296 N N 2.840 121.448 118.700 -0.153 0.000 2.515 296 N HA 0.479 5.218 4.740 -0.001 0.000 0.279 296 N C -1.096 174.307 175.510 -0.178 0.000 1.164 296 N CA -0.206 52.847 53.050 0.005 0.000 0.982 296 N CB 0.889 39.369 38.487 -0.012 0.000 1.170 296 N HN 0.579 nan 8.380 nan 0.000 0.474 297 Y N 0.552 120.987 120.300 0.225 0.000 2.705 297 Y HA 0.307 4.857 4.550 -0.001 0.000 0.355 297 Y C -1.631 174.350 175.900 0.135 0.000 1.039 297 Y CA -1.532 56.657 58.100 0.147 0.000 1.233 297 Y CB 1.716 40.271 38.460 0.157 0.000 1.103 297 Y HN 0.527 nan 8.280 nan 0.000 0.624 298 P HA -0.064 nan 4.420 nan 0.000 0.221 298 P C 0.342 177.670 177.300 0.046 0.000 1.150 298 P CA 1.469 64.674 63.100 0.175 0.000 0.800 298 P CB 0.493 32.188 31.700 -0.009 0.000 0.787 299 N N -1.414 117.292 118.700 0.009 0.000 2.184 299 N HA 0.122 4.861 4.740 -0.001 0.000 0.234 299 N C -0.463 175.006 175.510 -0.069 0.000 1.282 299 N CA 0.155 53.178 53.050 -0.045 0.000 0.877 299 N CB 1.055 39.492 38.487 -0.084 0.000 1.184 299 N HN 0.144 nan 8.380 nan 0.000 0.510 300 D N -0.014 120.366 120.400 -0.033 0.000 2.596 300 D HA 0.348 4.987 4.640 -0.001 0.000 0.234 300 D C -0.363 175.776 176.300 -0.268 0.000 1.181 300 D CA -0.167 53.708 54.000 -0.207 0.000 0.856 300 D CB 1.929 42.600 40.800 -0.215 0.000 1.498 300 D HN -0.180 nan 8.370 nan 0.000 0.446 301 Y N -0.525 119.551 120.300 -0.373 0.000 2.500 301 Y HA -0.270 4.280 4.550 -0.000 0.000 0.064 301 Y C 1.158 176.711 175.900 -0.579 0.000 1.696 301 Y CA 0.301 58.010 58.100 -0.651 0.000 1.423 301 Y CB -0.986 36.628 38.460 -1.410 0.000 2.068 301 Y HN 0.509 nan 8.280 nan 0.000 0.253 302 A N 0.102 122.691 122.820 -0.385 0.000 2.072 302 A HA 0.147 4.466 4.320 -0.001 0.000 0.216 302 A C 0.185 177.552 177.584 -0.362 0.000 1.156 302 A CA 1.131 53.034 52.037 -0.224 0.000 0.701 302 A CB -0.578 18.448 19.000 0.044 0.000 0.816 302 A HN 0.626 nan 8.150 nan 0.000 0.458 303 Y N -1.688 118.322 120.300 -0.484 0.000 2.307 303 Y HA 0.507 5.057 4.550 -0.000 0.000 0.324 303 Y C 1.386 177.098 175.900 -0.313 0.000 1.238 303 Y CA -0.413 57.285 58.100 -0.670 0.000 1.280 303 Y CB -0.017 37.876 38.460 -0.946 0.000 1.248 303 Y HN 0.031 nan 8.280 nan 0.000 0.508 304 T N -1.000 113.507 114.554 -0.079 0.000 3.014 304 T HA 0.179 4.529 4.350 -0.001 0.000 0.263 304 T C 0.254 175.110 174.700 0.261 0.000 1.078 304 T CA 0.645 62.689 62.100 -0.093 0.000 1.135 304 T CB -0.246 68.409 68.868 -0.355 0.000 0.895 304 T HN 0.865 nan 8.240 nan 0.000 0.480 305 R N -0.636 120.038 120.500 0.289 0.000 2.728 305 R HA 0.615 4.955 4.340 -0.001 0.000 0.274 305 R C -2.334 174.005 176.300 0.064 0.000 1.032 305 R CA -1.106 55.179 56.100 0.309 0.000 0.866 305 R CB 1.126 31.552 30.300 0.210 0.000 1.263 305 R HN 0.013 nan 8.270 nan 0.000 0.475 306 V N 0.366 120.266 119.914 -0.023 0.000 2.680 306 V HA 0.702 4.822 4.120 -0.001 0.000 0.309 306 V C -0.410 175.513 176.094 -0.284 0.000 1.052 306 V CA -0.852 61.224 62.300 -0.374 0.000 0.908 306 V CB 1.926 33.473 31.823 -0.460 0.000 1.001 306 V HN 0.822 nan 8.190 nan 0.000 0.431 307 S N 1.874 117.333 115.700 -0.402 0.000 2.536 307 S HA 0.539 5.008 4.470 -0.001 0.000 0.287 307 S C -0.800 173.469 174.600 -0.551 0.000 1.101 307 S CA -0.667 57.297 58.200 -0.394 0.000 0.950 307 S CB 1.997 64.971 63.200 -0.377 0.000 1.056 307 S HN 0.862 nan 8.310 nan 0.000 0.481 308 E N 1.745 121.727 120.200 -0.364 0.000 2.102 308 E HA 0.332 4.682 4.350 -0.001 0.000 0.263 308 E C -0.325 176.161 176.600 -0.190 0.000 0.894 308 E CA -0.413 55.842 56.400 -0.241 0.000 0.746 308 E CB 0.405 30.143 29.700 0.064 0.000 1.129 308 E HN 0.612 nan 8.360 nan 0.000 0.416 309 F N 3.013 122.929 119.950 -0.058 0.000 2.216 309 F HA -0.141 4.385 4.527 -0.000 0.000 0.300 309 F C 2.037 177.761 175.800 -0.127 0.000 1.085 309 F CA 0.852 58.764 58.000 -0.147 0.000 1.326 309 F CB 0.018 38.866 39.000 -0.253 0.000 1.027 309 F HN 0.408 nan 8.300 nan 0.000 0.497 310 K N -0.626 119.799 120.400 0.042 0.000 2.209 310 K HA -0.163 4.157 4.320 -0.001 0.000 0.204 310 K C 1.794 178.336 176.600 -0.095 0.000 1.048 310 K CA 0.941 57.201 56.287 -0.045 0.000 0.940 310 K CB -0.297 32.155 32.500 -0.080 0.000 0.729 310 K HN 0.387 nan 8.250 nan 0.000 0.451 311 H N 0.184 119.235 119.070 -0.033 0.000 2.389 311 H HA -0.055 4.500 4.556 -0.000 0.000 0.299 311 H C 2.074 177.275 175.328 -0.211 0.000 1.081 311 H CA 1.327 57.365 56.048 -0.016 0.000 1.345 311 H CB 0.108 29.905 29.762 0.060 0.000 1.393 311 H HN 0.171 nan 8.280 nan 0.000 0.520 312 I N 0.286 120.761 120.570 -0.158 0.000 2.400 312 I HA -0.158 4.011 4.170 -0.001 0.000 0.248 312 I C 2.691 178.577 176.117 -0.384 0.000 1.109 312 I CA 1.361 62.345 61.300 -0.525 0.000 1.425 312 I CB -0.059 37.886 38.000 -0.091 0.000 1.094 312 I HN 0.256 nan 8.210 nan 0.000 0.425 313 T N -2.253 112.210 114.554 -0.152 0.000 2.978 313 T HA 0.170 4.520 4.350 -0.001 0.000 0.262 313 T C 1.740 176.395 174.700 -0.074 0.000 1.063 313 T CA 0.888 62.934 62.100 -0.090 0.000 1.140 313 T CB 0.254 69.078 68.868 -0.073 0.000 0.886 313 T HN 0.487 nan 8.240 nan 0.000 0.470 314 G N 0.790 109.548 108.800 -0.070 0.000 2.213 314 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.236 314 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.236 314 G C -0.014 174.884 174.900 -0.003 0.000 0.991 314 G CA 0.225 45.310 45.100 -0.024 0.000 0.629 314 G HN 0.913 nan 8.290 nan 0.000 0.517 315 Q N 0.700 120.500 119.800 -0.001 0.000 2.333 315 Q HA 0.254 4.593 4.340 -0.001 0.000 0.299 315 Q C 0.566 176.599 176.000 0.056 0.000 1.067 315 Q CA 0.180 56.008 55.803 0.042 0.000 0.943 315 Q CB 0.300 29.067 28.738 0.048 0.000 1.233 315 Q HN 0.564 nan 8.270 nan 0.000 0.401 316 R N 3.160 123.712 120.500 0.087 0.000 2.393 316 R HA 0.319 4.659 4.340 -0.001 0.000 0.310 316 R C -1.343 175.055 176.300 0.165 0.000 0.968 316 R CA -0.405 55.750 56.100 0.092 0.000 0.867 316 R CB 0.928 31.264 30.300 0.059 0.000 1.124 316 R HN 0.742 nan 8.270 nan 0.000 0.450 317 H N 2.483 121.585 119.070 0.055 0.000 3.042 317 H HA 0.087 4.643 4.556 -0.001 0.000 0.346 317 H C 0.032 175.422 175.328 0.103 0.000 1.294 317 H CA -0.460 55.643 56.048 0.093 0.000 1.141 317 H CB 1.373 31.152 29.762 0.028 0.000 1.872 317 H HN 0.915 nan 8.280 nan 0.000 0.541 318 H N 0.874 119.944 119.070 0.000 0.000 2.548 318 H HA 0.179 4.735 4.556 -0.001 0.000 0.268 318 H C -0.212 175.225 175.328 0.181 0.000 0.975 318 H CA 0.107 56.194 56.048 0.064 0.000 1.195 318 H CB 0.967 30.717 29.762 -0.020 0.000 1.397 318 H HN 0.430 nan 8.280 nan 0.000 0.572 319 Q N -0.030 119.802 119.800 0.053 0.000 3.105 319 Q HA 0.547 4.887 4.340 -0.001 0.000 0.280 319 Q C -0.764 175.225 176.000 -0.018 0.000 1.042 319 Q CA -0.999 54.792 55.803 -0.021 0.000 0.857 319 Q CB 2.195 30.844 28.738 -0.149 0.000 1.468 319 Q HN 0.120 nan 8.270 nan 0.000 0.494 320 T N -0.324 114.202 114.554 -0.046 0.000 2.932 320 T HA 0.473 4.822 4.350 -0.001 0.000 0.318 320 T C -1.646 173.055 174.700 0.002 0.000 1.265 320 T CA -0.386 61.696 62.100 -0.031 0.000 1.036 320 T CB 1.701 70.577 68.868 0.014 0.000 1.209 320 T HN 0.418 nan 8.240 nan 0.000 0.484 321 S N 1.723 117.438 115.700 0.025 0.000 2.502 321 S HA 0.780 5.250 4.470 -0.001 0.000 0.304 321 S C -0.364 174.323 174.600 0.146 0.000 1.097 321 S CA -0.655 57.609 58.200 0.107 0.000 1.045 321 S CB 1.380 64.637 63.200 0.096 0.000 1.019 321 S HN 0.862 nan 8.310 nan 0.000 0.481 322 V N 0.839 120.813 119.914 0.100 0.000 3.046 322 V HA 0.975 5.095 4.120 -0.001 0.000 0.316 322 V C -0.633 175.408 176.094 -0.089 0.000 1.104 322 V CA -0.797 61.423 62.300 -0.133 0.000 1.006 322 V CB 1.765 33.466 31.823 -0.203 0.000 1.058 322 V HN 0.597 nan 8.190 nan 0.000 0.440 323 V N 2.222 121.926 119.914 -0.350 0.000 2.686 323 V HA 0.662 4.782 4.120 -0.001 0.000 0.306 323 V C -1.741 174.106 176.094 -0.412 0.000 1.065 323 V CA -0.408 61.731 62.300 -0.269 0.000 0.894 323 V CB 2.002 33.749 31.823 -0.128 0.000 1.004 323 V HN 0.878 nan 8.190 nan 0.000 0.424 324 Y N 3.998 124.218 120.300 -0.134 0.000 2.341 324 Y HA 0.564 5.113 4.550 -0.001 0.000 0.337 324 Y C 0.575 176.460 175.900 -0.025 0.000 1.014 324 Y CA -0.493 57.483 58.100 -0.207 0.000 1.111 324 Y CB 1.537 39.779 38.460 -0.362 0.000 1.194 324 Y HN 0.574 nan 8.280 nan 0.000 0.462 325 E N 3.246 123.468 120.200 0.035 0.000 2.174 325 E HA 0.277 4.627 4.350 -0.001 0.000 0.282 325 E C -1.613 174.927 176.600 -0.100 0.000 0.992 325 E CA -0.754 55.644 56.400 -0.004 0.000 0.803 325 E CB 1.123 30.818 29.700 -0.007 0.000 1.090 325 E HN 0.491 nan 8.360 nan 0.000 0.396 326 Y N 2.460 122.699 120.300 -0.101 0.000 2.328 326 Y HA 0.269 4.819 4.550 -0.000 0.000 0.333 326 Y C -2.236 173.593 175.900 -0.118 0.000 0.958 326 Y CA -2.999 55.065 58.100 -0.061 0.000 1.167 326 Y CB 1.079 39.524 38.460 -0.025 0.000 1.151 326 Y HN 0.398 nan 8.280 nan 0.000 0.470 327 P HA 0.156 nan 4.420 nan 0.000 0.267 327 P C -0.391 176.909 177.300 -0.001 0.000 1.200 327 P CA 0.030 63.087 63.100 -0.071 0.000 0.772 327 P CB 0.726 32.334 31.700 -0.153 0.000 0.855 328 R N 1.256 121.762 120.500 0.009 0.000 2.668 328 R HA 0.518 4.857 4.340 -0.001 0.000 0.272 328 R C 0.354 176.682 176.300 0.047 0.000 1.019 328 R CA -0.817 55.305 56.100 0.037 0.000 0.894 328 R CB 1.751 32.083 30.300 0.054 0.000 1.228 328 R HN 0.399 nan 8.270 nan 0.000 0.460 329 A N 0.940 123.791 122.820 0.050 0.000 2.030 329 A HA 0.073 4.393 4.320 -0.001 0.000 0.215 329 A C 0.283 177.908 177.584 0.069 0.000 1.164 329 A CA 0.959 53.036 52.037 0.067 0.000 0.697 329 A CB 0.158 19.196 19.000 0.062 0.000 0.827 329 A HN 0.492 nan 8.150 nan 0.000 0.457 330 E N -1.184 119.047 120.200 0.053 0.000 2.214 330 E HA 0.581 4.931 4.350 -0.001 0.000 0.274 330 E C 0.339 176.962 176.600 0.038 0.000 0.977 330 E CA 0.773 57.198 56.400 0.042 0.000 0.827 330 E CB 1.459 31.178 29.700 0.032 0.000 1.130 330 E HN 0.708 nan 8.360 nan 0.000 0.394 331 G N 2.266 111.078 108.800 0.020 0.000 2.331 331 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.479 331 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.479 331 G C -1.329 173.522 174.900 -0.083 0.000 1.262 331 G CA -0.934 44.166 45.100 -0.000 0.000 1.029 331 G HN 0.485 nan 8.290 nan 0.000 0.487 332 D N 1.851 122.146 120.400 -0.175 0.000 2.443 332 D HA 0.431 5.070 4.640 -0.001 0.000 0.239 332 D C -2.063 173.881 176.300 -0.595 0.000 1.136 332 D CA -0.193 53.593 54.000 -0.356 0.000 0.879 332 D CB 0.717 41.288 40.800 -0.382 0.000 1.195 332 D HN 0.190 nan 8.370 nan 0.000 0.443 333 P HA 0.092 nan 4.420 nan 0.000 0.276 333 P C -0.371 176.702 177.300 -0.378 0.000 1.253 333 P CA 0.263 63.150 63.100 -0.355 0.000 0.766 333 P CB 0.143 31.467 31.700 -0.627 0.000 0.845 334 Y N 1.082 121.415 120.300 0.056 0.000 2.589 334 Y HA 0.227 4.777 4.550 -0.001 0.000 0.271 334 Y C 0.303 176.040 175.900 -0.272 0.000 1.107 334 Y CA -0.134 57.907 58.100 -0.098 0.000 1.273 334 Y CB 0.458 38.871 38.460 -0.078 0.000 1.266 334 Y HN 0.218 nan 8.280 nan 0.000 0.504 335 Y N 0.784 121.184 120.300 0.168 0.000 2.391 335 Y HA 0.432 4.982 4.550 -0.000 0.000 0.341 335 Y C -2.662 173.260 175.900 0.036 0.000 0.965 335 Y CA -3.382 54.716 58.100 -0.004 0.000 1.067 335 Y CB 1.272 39.618 38.460 -0.190 0.000 1.199 335 Y HN -0.208 nan 8.280 nan 0.000 0.450 336 P HA 0.123 nan 4.420 nan 0.000 0.272 336 P C -0.869 176.319 177.300 -0.185 0.000 1.230 336 P CA -0.283 62.477 63.100 -0.567 0.000 0.788 336 P CB 0.844 31.952 31.700 -0.987 0.000 0.949 337 V N 3.770 123.585 119.914 -0.165 0.000 2.257 337 V HA 0.238 4.358 4.120 -0.001 0.000 0.269 337 V C -2.226 173.855 176.094 -0.021 0.000 1.040 337 V CA -1.844 60.486 62.300 0.049 0.000 0.813 337 V CB 0.751 32.691 31.823 0.195 0.000 1.065 337 V HN 0.486 nan 8.190 nan 0.000 0.457 338 P HA 0.302 nan 4.420 nan 0.000 0.269 338 P C -0.307 176.962 177.300 -0.052 0.000 1.263 338 P CA 0.100 63.174 63.100 -0.043 0.000 0.813 338 P CB 0.167 31.841 31.700 -0.043 0.000 0.868 339 R N 2.852 123.364 120.500 0.019 0.000 2.692 339 R HA 0.460 4.799 4.340 -0.001 0.000 0.269 339 R C -2.737 173.583 176.300 0.034 0.000 1.030 339 R CA -1.957 54.146 56.100 0.005 0.000 0.882 339 R CB -0.003 30.294 30.300 -0.005 0.000 1.250 339 R HN -0.097 nan 8.270 nan 0.000 0.465 340 P HA -0.291 nan 4.420 nan 0.000 0.216 340 P C 0.812 178.128 177.300 0.027 0.000 1.154 340 P CA 1.995 65.108 63.100 0.022 0.000 0.865 340 P CB 0.151 31.856 31.700 0.009 0.000 0.789 341 E N -1.316 118.900 120.200 0.028 0.000 2.112 341 E HA -0.126 4.224 4.350 -0.001 0.000 0.190 341 E C 1.541 178.163 176.600 0.036 0.000 0.979 341 E CA 0.796 57.211 56.400 0.026 0.000 0.814 341 E CB -0.816 28.900 29.700 0.026 0.000 0.762 341 E HN 0.120 nan 8.360 nan 0.000 0.460 342 N N 1.595 120.330 118.700 0.059 0.000 2.188 342 N HA -0.052 4.688 4.740 -0.001 0.000 0.184 342 N C 1.845 177.390 175.510 0.059 0.000 1.018 342 N CA 1.493 54.582 53.050 0.066 0.000 0.858 342 N CB -0.392 38.188 38.487 0.154 0.000 0.989 342 N HN 0.354 nan 8.380 nan 0.000 0.426 343 A N 1.174 124.054 122.820 0.101 0.000 1.933 343 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 343 A C 2.118 179.757 177.584 0.091 0.000 1.175 343 A CA 1.415 53.529 52.037 0.130 0.000 0.628 343 A CB -0.452 18.613 19.000 0.108 0.000 0.814 343 A HN 0.321 nan 8.150 nan 0.000 0.444 344 E N -0.555 119.666 120.200 0.034 0.000 2.072 344 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 344 E C 2.026 178.596 176.600 -0.050 0.000 0.985 344 E CA 0.758 57.149 56.400 -0.016 0.000 0.801 344 E CB -0.205 29.477 29.700 -0.029 0.000 0.750 344 E HN 0.587 nan 8.360 nan 0.000 0.452 345 L N 0.491 121.701 121.223 -0.023 0.000 2.012 345 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 345 L C 2.539 179.424 176.870 0.024 0.000 1.073 345 L CA 1.644 56.472 54.840 -0.020 0.000 0.748 345 L CB -0.382 41.707 42.059 0.051 0.000 0.891 345 L HN 0.260 nan 8.230 nan 0.000 0.431 346 Y N 1.157 121.399 120.300 -0.098 0.000 2.114 346 Y HA -0.361 4.188 4.550 -0.001 0.000 0.282 346 Y C 2.566 178.457 175.900 -0.016 0.000 1.165 346 Y CA 2.192 60.235 58.100 -0.094 0.000 1.148 346 Y CB -0.405 37.882 38.460 -0.288 0.000 0.972 346 Y HN 0.071 nan 8.280 nan 0.000 0.504 347 K N 0.318 120.543 120.400 -0.291 0.000 2.089 347 K HA -0.230 4.089 4.320 -0.001 0.000 0.210 347 K C 2.192 178.575 176.600 -0.362 0.000 1.048 347 K CA 2.001 58.073 56.287 -0.359 0.000 0.926 347 K CB -0.120 32.282 32.500 -0.163 0.000 0.714 347 K HN 0.238 nan 8.250 nan 0.000 0.448 348 K N -0.315 119.884 120.400 -0.335 0.000 2.009 348 K HA -0.187 4.132 4.320 -0.001 0.000 0.210 348 K C 2.224 178.625 176.600 -0.331 0.000 1.049 348 K CA 1.818 57.831 56.287 -0.458 0.000 0.929 348 K CB -0.409 31.631 32.500 -0.765 0.000 0.714 348 K HN 0.298 nan 8.250 nan 0.000 0.440 349 Y N 1.262 121.460 120.300 -0.170 0.000 2.224 349 Y HA -0.200 4.349 4.550 -0.001 0.000 0.289 349 Y C 2.630 178.290 175.900 -0.401 0.000 1.146 349 Y CA 1.324 59.328 58.100 -0.161 0.000 1.182 349 Y CB -0.054 38.405 38.460 -0.002 0.000 0.983 349 Y HN 0.284 nan 8.280 nan 0.000 0.524 350 E N 0.288 120.218 120.200 -0.450 0.000 2.110 350 E HA -0.244 4.106 4.350 -0.001 0.000 0.193 350 E C 2.328 178.742 176.600 -0.311 0.000 0.988 350 E CA 0.955 57.054 56.400 -0.502 0.000 0.804 350 E CB -0.174 29.080 29.700 -0.743 0.000 0.745 350 E HN 0.437 nan 8.360 nan 0.000 0.458 351 A N 1.139 123.794 122.820 -0.276 0.000 1.908 351 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 351 A C 2.201 179.669 177.584 -0.193 0.000 1.181 351 A CA 1.278 53.198 52.037 -0.195 0.000 0.627 351 A CB -0.697 18.195 19.000 -0.180 0.000 0.818 351 A HN 0.328 nan 8.150 nan 0.000 0.445 352 L N -1.008 120.036 121.223 -0.298 0.000 2.083 352 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 352 L C 3.090 179.796 176.870 -0.274 0.000 1.083 352 L CA 0.980 55.564 54.840 -0.426 0.000 0.752 352 L CB -0.581 40.870 42.059 -1.013 0.000 0.899 352 L HN 0.466 nan 8.230 nan 0.000 0.433 353 A N 0.054 122.699 122.820 -0.291 0.000 1.873 353 A HA -0.210 4.110 4.320 -0.001 0.000 0.215 353 A C 1.909 179.502 177.584 0.015 0.000 1.186 353 A CA 1.835 53.743 52.037 -0.214 0.000 0.616 353 A CB -0.496 18.067 19.000 -0.729 0.000 0.823 353 A HN 0.352 nan 8.150 nan 0.000 0.442 354 D N 0.224 120.606 120.400 -0.029 0.000 2.218 354 D HA -0.035 4.604 4.640 -0.001 0.000 0.204 354 D C 1.991 178.335 176.300 0.072 0.000 0.976 354 D CA 1.364 55.391 54.000 0.045 0.000 0.853 354 D CB -0.311 40.493 40.800 0.007 0.000 0.939 354 D HN 0.460 nan 8.370 nan 0.000 0.481 355 A N 0.814 123.663 122.820 0.048 0.000 2.067 355 A HA 0.267 4.586 4.320 -0.001 0.000 0.217 355 A C 1.428 179.090 177.584 0.131 0.000 1.156 355 A CA 0.590 52.667 52.037 0.066 0.000 0.683 355 A CB -0.283 18.733 19.000 0.026 0.000 0.808 355 A HN 0.187 nan 8.150 nan 0.000 0.455 356 A N 0.267 123.213 122.820 0.211 0.000 2.548 356 A HA 0.215 4.534 4.320 -0.001 0.000 0.247 356 A C 1.100 178.803 177.584 0.199 0.000 1.067 356 A CA -0.006 52.200 52.037 0.281 0.000 0.757 356 A CB 0.073 19.350 19.000 0.462 0.000 0.996 356 A HN 0.577 nan 8.150 nan 0.000 0.504 357 Q N 1.165 121.057 119.800 0.153 0.000 1.967 357 Q HA -0.126 4.213 4.340 -0.001 0.000 0.202 357 Q C -0.099 175.963 176.000 0.103 0.000 0.985 357 Q CA 1.620 57.492 55.803 0.115 0.000 0.839 357 Q CB 0.030 28.820 28.738 0.087 0.000 0.906 357 Q HN 0.837 nan 8.270 nan 0.000 0.423 358 D N 0.182 120.602 120.400 0.033 0.000 2.755 358 D HA 0.190 4.829 4.640 -0.001 0.000 0.257 358 D C -0.807 175.206 176.300 -0.478 0.000 1.291 358 D CA 0.090 54.008 54.000 -0.138 0.000 0.836 358 D CB 1.026 41.794 40.800 -0.052 0.000 1.059 358 D HN -0.070 nan 8.370 nan 0.000 0.486 359 V N 0.556 120.329 119.914 -0.235 0.000 2.540 359 V HA 0.379 4.499 4.120 -0.001 0.000 0.302 359 V C 0.359 176.398 176.094 -0.092 0.000 1.035 359 V CA -0.491 61.633 62.300 -0.293 0.000 0.873 359 V CB 2.247 33.927 31.823 -0.238 0.000 0.992 359 V HN -0.061 nan 8.190 nan 0.000 0.428 360 T N 4.984 119.494 114.554 -0.074 0.000 2.823 360 T HA 0.695 5.044 4.350 -0.001 0.000 0.279 360 T C -0.775 173.865 174.700 -0.099 0.000 0.998 360 T CA -0.088 62.097 62.100 0.143 0.000 0.994 360 T CB 0.794 69.859 68.868 0.328 0.000 0.960 360 T HN 0.304 nan 8.240 nan 0.000 0.448 361 F N 2.064 122.065 119.950 0.085 0.000 2.450 361 F HA 0.764 5.291 4.527 -0.000 0.000 0.332 361 F C 0.240 176.098 175.800 0.096 0.000 1.093 361 F CA -0.730 57.318 58.000 0.079 0.000 1.003 361 F CB 1.719 40.783 39.000 0.106 0.000 1.151 361 F HN 0.268 nan 8.300 nan 0.000 0.474 362 V N 1.754 121.793 119.914 0.208 0.000 3.108 362 V HA 0.846 4.966 4.120 -0.001 0.000 0.287 362 V C -0.668 175.491 176.094 0.109 0.000 1.436 362 V CA 0.270 62.666 62.300 0.160 0.000 1.001 362 V CB 1.467 33.360 31.823 0.118 0.000 1.141 362 V HN 1.359 nan 8.190 nan 0.000 0.443 363 G N 4.541 113.426 108.800 0.142 0.000 2.440 363 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.684 363 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.684 363 G C 0.090 175.066 174.900 0.126 0.000 1.309 363 G CA 0.290 45.465 45.100 0.125 0.000 0.931 363 G HN 1.506 nan 8.290 nan 0.000 0.612 364 R N -0.272 120.305 120.500 0.128 0.000 2.105 364 R HA -0.006 4.334 4.340 -0.001 0.000 0.239 364 R C 2.140 178.489 176.300 0.081 0.000 1.135 364 R CA 2.138 58.294 56.100 0.092 0.000 0.967 364 R CB -0.323 30.052 30.300 0.124 0.000 0.861 364 R HN 0.552 nan 8.270 nan 0.000 0.442 365 L N -0.152 121.122 121.223 0.085 0.000 2.127 365 L HA 0.071 4.410 4.340 -0.001 0.000 0.203 365 L C 2.670 179.683 176.870 0.237 0.000 1.080 365 L CA 0.944 55.867 54.840 0.138 0.000 0.768 365 L CB -0.440 41.578 42.059 -0.068 0.000 0.924 365 L HN 0.265 nan 8.230 nan 0.000 0.444 366 A N -0.231 122.690 122.820 0.168 0.000 2.119 366 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 366 A C 1.976 179.777 177.584 0.362 0.000 1.153 366 A CA 1.771 53.995 52.037 0.312 0.000 0.692 366 A CB -0.570 18.590 19.000 0.266 0.000 0.799 366 A HN 0.497 nan 8.150 nan 0.000 0.458 367 T N -7.550 107.139 114.554 0.226 0.000 3.145 367 T HA 0.236 4.586 4.350 -0.001 0.000 0.281 367 T C 0.179 174.777 174.700 -0.169 0.000 1.003 367 T CA 0.001 62.196 62.100 0.158 0.000 0.901 367 T CB -0.460 68.503 68.868 0.158 0.000 1.112 367 T HN 0.578 nan 8.240 nan 0.000 0.535 368 Y N 2.325 122.462 120.300 -0.271 0.000 3.027 368 Y HA -0.254 4.295 4.550 -0.001 0.000 0.195 368 Y C -0.353 175.338 175.900 -0.347 0.000 1.381 368 Y CA 0.059 57.927 58.100 -0.388 0.000 1.015 368 Y CB -1.577 36.351 38.460 -0.888 0.000 1.329 368 Y HN 0.460 nan 8.280 nan 0.000 0.462 369 R N 1.646 121.967 120.500 -0.298 0.000 2.561 369 R HA 0.254 4.593 4.340 -0.001 0.000 0.297 369 R C -0.844 175.345 176.300 -0.186 0.000 0.969 369 R CA -1.155 54.704 56.100 -0.402 0.000 0.879 369 R CB 1.074 30.826 30.300 -0.913 0.000 1.178 369 R HN 0.178 nan 8.270 nan 0.000 0.445 370 Y N 4.085 124.282 120.300 -0.172 0.000 2.734 370 Y HA 0.092 4.641 4.550 -0.001 0.000 0.353 370 Y C -0.948 175.068 175.900 0.194 0.000 1.244 370 Y CA -0.661 57.476 58.100 0.062 0.000 1.950 370 Y CB -0.496 38.049 38.460 0.142 0.000 2.028 370 Y HN 0.376 nan 8.280 nan 0.000 0.421 371 Y N 1.377 121.844 120.300 0.279 0.000 2.320 371 Y HA 0.252 4.801 4.550 -0.001 0.000 0.324 371 Y C 0.775 176.744 175.900 0.115 0.000 1.190 371 Y CA -1.433 56.750 58.100 0.139 0.000 1.215 371 Y CB 0.671 39.183 38.460 0.086 0.000 1.221 371 Y HN 0.290 nan 8.280 nan 0.000 0.486 372 N N 1.789 120.578 118.700 0.149 0.000 2.379 372 N HA 0.196 4.936 4.740 -0.001 0.000 0.260 372 N C 1.264 176.707 175.510 -0.113 0.000 1.254 372 N CA -0.250 52.793 53.050 -0.012 0.000 0.958 372 N CB 0.580 38.962 38.487 -0.175 0.000 1.208 372 N HN 0.640 nan 8.380 nan 0.000 0.532 373 M N 0.336 119.816 119.600 -0.199 0.000 2.065 373 M HA -0.207 4.273 4.480 -0.001 0.000 0.259 373 M C 1.448 177.524 176.300 -0.374 0.000 1.069 373 M CA 1.628 56.710 55.300 -0.364 0.000 1.110 373 M CB -0.388 32.001 32.600 -0.352 0.000 1.328 373 M HN 0.575 nan 8.290 nan 0.000 0.405 374 D N -0.147 120.059 120.400 -0.324 0.000 2.218 374 D HA -0.216 4.423 4.640 -0.001 0.000 0.204 374 D C 1.630 177.805 176.300 -0.208 0.000 0.976 374 D CA 1.414 55.298 54.000 -0.194 0.000 0.853 374 D CB -0.545 40.024 40.800 -0.386 0.000 0.939 374 D HN 0.517 nan 8.370 nan 0.000 0.481 375 Q N 0.104 119.729 119.800 -0.292 0.000 2.123 375 Q HA -0.016 4.324 4.340 -0.001 0.000 0.199 375 Q C 2.589 178.397 176.000 -0.320 0.000 0.966 375 Q CA 0.729 56.286 55.803 -0.411 0.000 0.845 375 Q CB 0.243 28.568 28.738 -0.688 0.000 0.907 375 Q HN 0.187 nan 8.270 nan 0.000 0.439 376 V N 0.160 119.992 119.914 -0.136 0.000 2.427 376 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 376 V C 2.181 178.291 176.094 0.026 0.000 1.051 376 V CA 1.237 63.562 62.300 0.041 0.000 1.048 376 V CB -0.305 31.592 31.823 0.124 0.000 0.666 376 V HN 0.178 nan 8.190 nan 0.000 0.456 377 V N 0.420 120.318 119.914 -0.026 0.000 2.343 377 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 377 V C 2.719 178.785 176.094 -0.046 0.000 1.051 377 V CA 2.090 64.397 62.300 0.011 0.000 1.036 377 V CB -1.140 30.711 31.823 0.047 0.000 0.654 377 V HN 0.565 nan 8.190 nan 0.000 0.451 378 A N -0.889 121.889 122.820 -0.070 0.000 1.902 378 A HA -0.321 3.999 4.320 -0.001 0.000 0.217 378 A C 2.271 179.833 177.584 -0.035 0.000 1.181 378 A CA 2.185 54.178 52.037 -0.072 0.000 0.623 378 A CB -0.585 18.352 19.000 -0.105 0.000 0.818 378 A HN 0.598 nan 8.150 nan 0.000 0.443 379 Q N -0.690 119.100 119.800 -0.016 0.000 2.124 379 Q HA -0.131 4.208 4.340 -0.001 0.000 0.202 379 Q C 2.186 178.232 176.000 0.076 0.000 0.977 379 Q CA 1.506 57.349 55.803 0.066 0.000 0.850 379 Q CB -0.299 28.537 28.738 0.164 0.000 0.901 379 Q HN 0.622 nan 8.270 nan 0.000 0.429 380 A N 0.576 123.431 122.820 0.058 0.000 1.898 380 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 380 A C 2.030 179.641 177.584 0.046 0.000 1.181 380 A CA 0.902 52.972 52.037 0.055 0.000 0.620 380 A CB -0.573 18.454 19.000 0.045 0.000 0.819 380 A HN 0.416 nan 8.150 nan 0.000 0.442 381 L N -0.705 120.510 121.223 -0.014 0.000 2.046 381 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 381 L C 3.085 180.020 176.870 0.108 0.000 1.077 381 L CA 1.150 55.994 54.840 0.006 0.000 0.747 381 L CB -0.555 41.435 42.059 -0.115 0.000 0.896 381 L HN 0.427 nan 8.230 nan 0.000 0.432 382 A N -0.601 122.256 122.820 0.062 0.000 1.930 382 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 382 A C 2.360 179.988 177.584 0.072 0.000 1.175 382 A CA 2.201 54.275 52.037 0.061 0.000 0.627 382 A CB -0.828 18.202 19.000 0.050 0.000 0.815 382 A HN 0.382 nan 8.150 nan 0.000 0.443 383 T N -0.625 113.988 114.554 0.098 0.000 2.746 383 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 383 T C 1.595 176.358 174.700 0.105 0.000 1.039 383 T CA 1.502 63.664 62.100 0.103 0.000 1.142 383 T CB -0.414 68.525 68.868 0.119 0.000 0.866 383 T HN 0.508 nan 8.240 nan 0.000 0.444 384 F N 2.569 122.505 119.950 -0.023 0.000 2.120 384 F HA -0.160 4.367 4.527 -0.001 0.000 0.300 384 F C 2.260 178.044 175.800 -0.026 0.000 1.095 384 F CA 1.374 59.346 58.000 -0.047 0.000 1.249 384 F CB -0.305 38.659 39.000 -0.060 0.000 0.995 384 F HN -0.023 nan 8.300 nan 0.000 0.480 385 R N -0.119 120.248 120.500 -0.223 0.000 2.092 385 R HA -0.070 4.270 4.340 -0.001 0.000 0.231 385 R C 2.394 178.573 176.300 -0.203 0.000 1.119 385 R CA 1.409 57.323 56.100 -0.309 0.000 0.970 385 R CB -0.347 29.885 30.300 -0.115 0.000 0.864 385 R HN 0.303 nan 8.270 nan 0.000 0.440 386 R N 0.237 120.680 120.500 -0.095 0.000 2.073 386 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 386 R C 2.106 178.367 176.300 -0.066 0.000 1.134 386 R CA 1.063 57.134 56.100 -0.048 0.000 0.952 386 R CB -0.438 29.869 30.300 0.011 0.000 0.850 386 R HN 0.066 nan 8.270 nan 0.000 0.433 387 L N 1.424 122.600 121.223 -0.078 0.000 2.043 387 L HA -0.218 4.121 4.340 -0.001 0.000 0.212 387 L C 2.308 179.111 176.870 -0.111 0.000 1.075 387 L CA 1.771 56.568 54.840 -0.072 0.000 0.752 387 L CB -0.632 41.401 42.059 -0.043 0.000 0.891 387 L HN 0.220 nan 8.230 nan 0.000 0.432 388 Q N -1.507 118.148 119.800 -0.241 0.000 2.311 388 Q HA -0.037 4.303 4.340 -0.001 0.000 0.203 388 Q C 2.089 178.007 176.000 -0.137 0.000 0.954 388 Q CA 0.952 56.614 55.803 -0.234 0.000 0.885 388 Q CB -0.184 28.285 28.738 -0.447 0.000 0.963 388 Q HN 0.623 nan 8.270 nan 0.000 0.471 389 G N 0.779 109.509 108.800 -0.117 0.000 2.422 389 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 389 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 389 G C 0.741 175.619 174.900 -0.036 0.000 1.140 389 G CA 0.052 45.112 45.100 -0.066 0.000 0.775 389 G HN 0.263 nan 8.290 nan 0.000 0.545 390 Q N 0.000 119.782 119.800 -0.031 0.000 2.315 390 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 390 Q CA 0.000 55.797 55.803 -0.009 0.000 1.022 390 Q CB 0.000 28.736 28.738 -0.004 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481