REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mj4_1_B 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 0.000 176.569 176.600 -0.051 0.000 0.988 28 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 28 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 29 G N 3.064 111.839 108.800 -0.043 0.000 2.463 29 G HA2 0.343 4.303 3.960 0.000 0.000 0.211 29 G HA3 0.343 4.303 3.960 0.000 0.000 0.211 29 G C -0.822 173.863 174.900 -0.359 0.000 1.881 29 G CA -0.155 44.818 45.100 -0.211 0.000 0.722 29 G HN 0.292 nan 8.290 nan 0.000 0.709 30 F N 1.456 121.470 119.950 0.108 0.000 2.480 30 F HA 0.424 4.951 4.527 0.000 0.000 0.329 30 F C 0.990 176.850 175.800 0.100 0.000 1.091 30 F CA -0.923 57.143 58.000 0.110 0.000 0.972 30 F CB 1.911 40.984 39.000 0.122 0.000 1.150 30 F HN 0.169 nan 8.300 nan 0.000 0.467 31 D N 1.052 121.588 120.400 0.225 0.000 2.097 31 D HA -0.182 4.459 4.640 0.000 0.000 0.195 31 D C -0.316 175.919 176.300 -0.109 0.000 0.989 31 D CA 2.011 56.021 54.000 0.017 0.000 0.827 31 D CB 0.039 40.850 40.800 0.019 0.000 0.966 31 D HN 0.347 nan 8.370 nan 0.000 0.456 32 Y N -0.491 119.962 120.300 0.255 0.000 2.446 32 Y HA 0.404 4.954 4.550 0.000 0.000 0.345 32 Y C -0.313 175.622 175.900 0.059 0.000 0.984 32 Y CA -1.176 57.041 58.100 0.196 0.000 1.058 32 Y CB 1.925 40.471 38.460 0.144 0.000 1.220 32 Y HN -0.215 nan 8.280 nan 0.000 0.455 33 L N 4.780 126.028 121.223 0.042 0.000 2.298 33 L HA 0.650 4.990 4.340 0.000 0.000 0.284 33 L C -1.388 175.349 176.870 -0.220 0.000 1.013 33 L CA -0.302 54.354 54.840 -0.306 0.000 0.824 33 L CB 0.337 41.858 42.059 -0.897 0.000 1.221 33 L HN 0.538 nan 8.230 nan 0.000 0.418 34 I N 5.604 126.056 120.570 -0.195 0.000 2.377 34 I HA 0.391 4.561 4.170 0.000 0.000 0.293 34 I C -0.650 175.326 176.117 -0.236 0.000 0.987 34 I CA -0.947 60.244 61.300 -0.181 0.000 1.185 34 I CB 1.905 39.819 38.000 -0.142 0.000 1.341 34 I HN 0.286 nan 8.210 nan 0.000 0.455 35 V N 5.288 125.036 119.914 -0.277 0.000 2.328 35 V HA 0.755 4.875 4.120 0.000 0.000 0.278 35 V C 0.365 176.244 176.094 -0.358 0.000 1.021 35 V CA -0.364 61.745 62.300 -0.319 0.000 0.838 35 V CB 0.692 32.267 31.823 -0.414 0.000 0.999 35 V HN 1.079 nan 8.190 nan 0.000 0.447 36 G N 4.203 112.833 108.800 -0.285 0.000 2.907 36 G HA2 0.293 4.253 3.960 0.000 0.000 0.686 36 G HA3 0.293 4.253 3.960 0.000 0.000 0.686 36 G C -0.107 174.643 174.900 -0.250 0.000 1.115 36 G CA -0.191 44.741 45.100 -0.279 0.000 0.760 36 G HN 1.543 nan 8.290 nan 0.000 0.620 37 A N 1.570 124.230 122.820 -0.266 0.000 2.637 37 A HA 0.785 5.105 4.320 0.000 0.000 0.293 37 A C 1.440 178.779 177.584 -0.407 0.000 1.216 37 A CA 1.174 53.041 52.037 -0.283 0.000 0.956 37 A CB -0.160 18.678 19.000 -0.270 0.000 1.174 37 A HN 2.164 nan 8.150 nan 0.000 0.525 38 G N -0.979 107.611 108.800 -0.349 0.000 2.546 38 G HA2 0.368 4.328 3.960 0.000 0.000 0.239 38 G HA3 0.368 4.328 3.960 0.000 0.000 0.239 38 G C 0.643 175.451 174.900 -0.154 0.000 1.476 38 G CA -0.312 44.544 45.100 -0.408 0.000 1.064 38 G HN 0.174 nan 8.290 nan 0.000 0.561 39 F N 0.780 120.825 119.950 0.159 0.000 2.102 39 F HA -0.060 4.467 4.527 0.000 0.000 0.298 39 F C 3.090 178.955 175.800 0.107 0.000 1.105 39 F CA 1.664 59.834 58.000 0.283 0.000 1.239 39 F CB -0.207 38.934 39.000 0.234 0.000 0.991 39 F HN 0.319 nan 8.300 nan 0.000 0.474 40 A N 0.210 123.155 122.820 0.208 0.000 1.883 40 A HA -0.118 4.203 4.320 0.000 0.000 0.217 40 A C 2.501 180.086 177.584 0.001 0.000 1.186 40 A CA 1.994 54.072 52.037 0.068 0.000 0.624 40 A CB -1.606 17.404 19.000 0.017 0.000 0.822 40 A HN 0.414 nan 8.150 nan 0.000 0.444 41 G N -1.326 107.448 108.800 -0.044 0.000 2.394 41 G HA2 -0.040 3.920 3.960 0.000 0.000 0.215 41 G HA3 -0.040 3.920 3.960 0.000 0.000 0.215 41 G C 1.825 176.681 174.900 -0.073 0.000 1.165 41 G CA 1.207 46.248 45.100 -0.098 0.000 0.784 41 G HN 0.484 nan 8.290 nan 0.000 0.535 42 S N -0.027 115.656 115.700 -0.028 0.000 2.371 42 S HA -0.062 4.408 4.470 0.000 0.000 0.224 42 S C 2.534 177.134 174.600 0.000 0.000 1.029 42 S CA 0.980 59.180 58.200 0.001 0.000 0.978 42 S CB -0.143 63.139 63.200 0.136 0.000 0.833 42 S HN 0.170 nan 8.310 nan 0.000 0.466 43 V N 2.072 122.025 119.914 0.066 0.000 2.261 43 V HA -0.156 3.964 4.120 0.000 0.000 0.246 43 V C 2.224 178.269 176.094 -0.080 0.000 1.047 43 V CA 1.553 63.883 62.300 0.050 0.000 1.015 43 V CB -0.696 31.171 31.823 0.073 0.000 0.642 43 V HN 0.374 nan 8.190 nan 0.000 0.446 44 L N -0.045 121.121 121.223 -0.096 0.000 2.079 44 L HA -0.218 4.122 4.340 0.000 0.000 0.210 44 L C 2.655 179.417 176.870 -0.180 0.000 1.081 44 L CA 1.687 56.438 54.840 -0.149 0.000 0.752 44 L CB -0.657 41.339 42.059 -0.105 0.000 0.896 44 L HN 0.375 nan 8.230 nan 0.000 0.433 45 A N -0.722 122.018 122.820 -0.133 0.000 1.877 45 A HA -0.255 4.065 4.320 0.000 0.000 0.216 45 A C 2.311 179.824 177.584 -0.118 0.000 1.186 45 A CA 1.805 53.772 52.037 -0.116 0.000 0.620 45 A CB -0.576 18.366 19.000 -0.096 0.000 0.822 45 A HN 0.418 nan 8.150 nan 0.000 0.443 46 E N 0.031 120.154 120.200 -0.130 0.000 2.085 46 E HA -0.228 4.122 4.350 0.000 0.000 0.194 46 E C 2.217 178.734 176.600 -0.138 0.000 0.994 46 E CA 1.150 57.474 56.400 -0.126 0.000 0.801 46 E CB -0.243 29.355 29.700 -0.171 0.000 0.743 46 E HN 0.419 nan 8.360 nan 0.000 0.453 47 R N 0.242 120.571 120.500 -0.285 0.000 2.062 47 R HA -0.053 4.287 4.340 0.000 0.000 0.231 47 R C 2.756 178.771 176.300 -0.476 0.000 1.136 47 R CA 0.800 56.499 56.100 -0.668 0.000 0.948 47 R CB -1.117 28.292 30.300 -1.485 0.000 0.845 47 R HN 0.289 nan 8.270 nan 0.000 0.430 48 L N 0.414 121.469 121.223 -0.279 0.000 2.012 48 L HA -0.184 4.156 4.340 0.000 0.000 0.210 48 L C 2.606 179.507 176.870 0.052 0.000 1.073 48 L CA 1.649 56.477 54.840 -0.019 0.000 0.748 48 L CB -0.690 41.276 42.059 -0.154 0.000 0.891 48 L HN 0.191 nan 8.230 nan 0.000 0.431 49 A N -0.319 122.508 122.820 0.011 0.000 2.067 49 A HA -0.162 4.158 4.320 0.000 0.000 0.219 49 A C 2.422 180.037 177.584 0.051 0.000 1.158 49 A CA 1.655 53.722 52.037 0.050 0.000 0.661 49 A CB -0.509 18.509 19.000 0.029 0.000 0.801 49 A HN 0.546 nan 8.150 nan 0.000 0.452 50 S N -0.231 115.486 115.700 0.028 0.000 2.527 50 S HA -0.008 4.462 4.470 0.000 0.000 0.222 50 S C 1.299 175.949 174.600 0.085 0.000 0.985 50 S CA 0.881 59.110 58.200 0.049 0.000 0.921 50 S CB -0.459 62.764 63.200 0.038 0.000 0.772 50 S HN 0.836 nan 8.310 nan 0.000 0.529 51 S N 0.010 115.782 115.700 0.120 0.000 2.506 51 S HA 0.584 5.054 4.470 0.000 0.000 0.245 51 S C 1.197 175.879 174.600 0.136 0.000 1.088 51 S CA 0.024 58.318 58.200 0.156 0.000 1.099 51 S CB -0.412 62.941 63.200 0.254 0.000 0.805 51 S HN 1.325 nan 8.310 nan 0.000 0.461 52 G N 0.956 109.822 108.800 0.110 0.000 2.162 52 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 52 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 52 G C -0.120 174.851 174.900 0.119 0.000 0.976 52 G CA 0.037 45.197 45.100 0.099 0.000 0.655 52 G HN 0.600 nan 8.290 nan 0.000 0.533 53 Q N 0.066 119.962 119.800 0.160 0.000 2.235 53 Q HA 0.424 4.764 4.340 0.000 0.000 0.250 53 Q C 0.313 176.437 176.000 0.206 0.000 0.909 53 Q CA -0.602 55.328 55.803 0.213 0.000 0.910 53 Q CB 1.032 29.981 28.738 0.352 0.000 1.223 53 Q HN 0.259 nan 8.270 nan 0.000 0.432 54 R N 1.460 122.085 120.500 0.208 0.000 2.248 54 R HA 0.299 4.640 4.340 0.000 0.000 0.328 54 R C -0.573 175.957 176.300 0.384 0.000 1.067 54 R CA -0.229 56.014 56.100 0.239 0.000 0.924 54 R CB 0.044 30.425 30.300 0.135 0.000 1.013 54 R HN 0.293 nan 8.270 nan 0.000 0.454 55 V N 4.984 125.101 119.914 0.340 0.000 2.495 55 V HA 0.314 4.434 4.120 0.000 0.000 0.298 55 V C -0.304 175.847 176.094 0.094 0.000 1.031 55 V CA -1.054 61.396 62.300 0.249 0.000 0.871 55 V CB 1.839 33.736 31.823 0.123 0.000 0.988 55 V HN 0.471 nan 8.190 nan 0.000 0.432 56 L N 6.399 127.471 121.223 -0.251 0.000 2.280 56 L HA 0.667 5.007 4.340 0.000 0.000 0.287 56 L C -0.650 176.009 176.870 -0.351 0.000 1.023 56 L CA 0.030 54.504 54.840 -0.609 0.000 0.819 56 L CB 1.047 42.212 42.059 -1.490 0.000 1.212 56 L HN 0.692 nan 8.230 nan 0.000 0.420 57 I N 6.425 126.849 120.570 -0.244 0.000 2.377 57 I HA 0.658 4.828 4.170 0.000 0.000 0.293 57 I C -0.852 175.142 176.117 -0.205 0.000 0.987 57 I CA -0.659 60.520 61.300 -0.203 0.000 1.185 57 I CB 1.566 39.474 38.000 -0.155 0.000 1.341 57 I HN 0.584 nan 8.210 nan 0.000 0.455 58 V N 4.292 124.083 119.914 -0.205 0.000 2.823 58 V HA 0.721 4.841 4.120 0.000 0.000 0.312 58 V C -1.319 174.670 176.094 -0.175 0.000 1.072 58 V CA -0.425 61.768 62.300 -0.178 0.000 0.937 58 V CB 1.867 33.593 31.823 -0.161 0.000 1.013 58 V HN 0.778 nan 8.190 nan 0.000 0.430 59 D N 2.319 122.617 120.400 -0.169 0.000 2.857 59 D HA 0.379 5.019 4.640 0.000 0.000 0.227 59 D C 0.723 176.921 176.300 -0.169 0.000 1.192 59 D CA -0.521 53.363 54.000 -0.193 0.000 0.857 59 D CB 2.802 43.449 40.800 -0.256 0.000 1.645 59 D HN 0.825 nan 8.370 nan 0.000 0.482 60 R N 1.813 122.224 120.500 -0.149 0.000 2.276 60 R HA 0.178 4.518 4.340 0.000 0.000 0.203 60 R C 0.685 176.887 176.300 -0.163 0.000 1.017 60 R CA 0.084 56.112 56.100 -0.120 0.000 1.010 60 R CB 0.190 30.448 30.300 -0.070 0.000 0.900 60 R HN 0.049 nan 8.270 nan 0.000 0.469 61 R N 1.869 122.212 120.500 -0.260 0.000 2.641 61 R HA 0.109 4.449 4.340 0.000 0.000 0.269 61 R C -1.730 174.353 176.300 -0.363 0.000 1.074 61 R CA -1.676 54.197 56.100 -0.377 0.000 1.133 61 R CB 0.381 30.263 30.300 -0.697 0.000 1.029 61 R HN 0.041 nan 8.270 nan 0.000 0.488 62 P HA 0.006 nan 4.420 nan 0.000 0.255 62 P C -1.214 175.998 177.300 -0.147 0.000 1.357 62 P CA 0.546 63.546 63.100 -0.166 0.000 0.839 62 P CB -0.007 31.651 31.700 -0.069 0.000 1.356 63 H N -1.502 117.428 119.070 -0.234 0.000 3.016 63 H HA 0.565 5.122 4.556 0.000 0.000 0.362 63 H C 0.163 175.339 175.328 -0.253 0.000 1.233 63 H CA -1.349 54.529 56.048 -0.284 0.000 1.124 63 H CB 0.313 29.682 29.762 -0.655 0.000 1.850 63 H HN -0.172 nan 8.280 nan 0.000 0.549 64 I N -1.569 119.005 120.570 0.006 0.000 3.468 64 I HA 0.664 4.834 4.170 0.000 0.000 0.299 64 I C 1.205 177.238 176.117 -0.140 0.000 1.141 64 I CA -0.365 60.857 61.300 -0.129 0.000 0.950 64 I CB 0.618 38.545 38.000 -0.122 0.000 1.522 64 I HN 1.080 nan 8.210 nan 0.000 0.699 65 G N 0.283 108.666 108.800 -0.694 0.000 2.199 65 G HA2 -0.062 3.898 3.960 0.000 0.000 0.254 65 G HA3 -0.062 3.898 3.960 0.000 0.000 0.254 65 G C 0.936 175.392 174.900 -0.740 0.000 0.982 65 G CA 0.328 44.656 45.100 -1.287 0.000 0.632 65 G HN 2.122 nan 8.290 nan 0.000 0.529 66 G N 0.567 109.134 108.800 -0.389 0.000 2.594 66 G HA2 -0.343 3.617 3.960 0.000 0.000 0.297 66 G HA3 -0.343 3.617 3.960 0.000 0.000 0.297 66 G C 0.799 175.598 174.900 -0.168 0.000 1.273 66 G CA 0.959 45.899 45.100 -0.267 0.000 0.974 66 G HN 1.179 nan 8.290 nan 0.000 0.552 67 N N 0.722 119.304 118.700 -0.198 0.000 2.348 67 N HA 0.081 4.821 4.740 0.000 0.000 0.185 67 N C 2.315 177.664 175.510 -0.267 0.000 1.019 67 N CA 1.973 54.933 53.050 -0.150 0.000 0.880 67 N CB -0.430 38.115 38.487 0.097 0.000 0.965 67 N HN 0.959 nan 8.380 nan 0.000 0.437 68 A N -0.788 121.832 122.820 -0.334 0.000 2.208 68 A HA -0.015 4.305 4.320 0.000 0.000 0.209 68 A C 0.406 177.752 177.584 -0.395 0.000 1.161 68 A CA -0.352 51.301 52.037 -0.639 0.000 0.782 68 A CB -0.639 18.146 19.000 -0.357 0.000 0.816 68 A HN 0.363 nan 8.150 nan 0.000 0.477 69 Y N 2.778 122.920 120.300 -0.263 0.000 2.969 69 Y HA 0.135 4.685 4.550 0.000 0.000 0.339 69 Y C -0.060 175.712 175.900 -0.212 0.000 1.272 69 Y CA 0.099 58.080 58.100 -0.198 0.000 1.577 69 Y CB 0.196 38.498 38.460 -0.263 0.000 1.234 69 Y HN 0.548 nan 8.280 nan 0.000 0.590 70 D N 4.588 124.534 120.400 -0.757 0.000 2.493 70 D HA 0.633 5.274 4.640 0.000 0.000 0.239 70 D C -0.865 174.843 176.300 -0.986 0.000 1.049 70 D CA -0.447 53.156 54.000 -0.661 0.000 1.008 70 D CB 1.201 41.879 40.800 -0.204 0.000 1.398 70 D HN 0.742 nan 8.370 nan 0.000 0.513 71 C N -2.479 116.426 119.300 -0.659 0.000 3.259 71 C HA 0.652 5.113 4.460 0.000 0.000 0.344 71 C C -1.706 173.032 174.990 -0.420 0.000 1.401 71 C CA -1.144 57.597 59.018 -0.461 0.000 1.219 71 C CB -0.086 27.479 27.740 -0.292 0.000 1.521 71 C HN 0.619 nan 8.230 nan 0.000 0.455 72 Y N 2.400 122.593 120.300 -0.179 0.000 2.353 72 Y HA 0.449 4.999 4.550 0.000 0.000 0.340 72 Y C 0.986 176.808 175.900 -0.130 0.000 0.972 72 Y CA 0.536 58.551 58.100 -0.141 0.000 1.157 72 Y CB 0.794 39.202 38.460 -0.085 0.000 1.157 72 Y HN 0.872 nan 8.280 nan 0.000 0.495 73 D N 0.276 120.642 120.400 -0.057 0.000 2.314 73 D HA -0.072 4.569 4.640 0.000 0.000 0.252 73 D C 0.518 176.814 176.300 -0.006 0.000 1.295 73 D CA -0.042 53.913 54.000 -0.075 0.000 0.995 73 D CB 0.576 41.296 40.800 -0.133 0.000 1.125 73 D HN 0.398 nan 8.370 nan 0.000 0.537 74 D N -1.109 119.279 120.400 -0.019 0.000 2.263 74 D HA -0.051 4.589 4.640 0.000 0.000 0.208 74 D C 1.482 177.797 176.300 0.025 0.000 0.971 74 D CA 1.563 55.566 54.000 0.004 0.000 0.867 74 D CB -0.304 40.495 40.800 -0.003 0.000 0.929 74 D HN 0.524 nan 8.370 nan 0.000 0.492 75 A N -0.861 121.967 122.820 0.014 0.000 2.308 75 A HA 0.475 4.795 4.320 0.000 0.000 0.217 75 A C 1.744 179.411 177.584 0.137 0.000 1.216 75 A CA 0.896 52.956 52.037 0.040 0.000 0.864 75 A CB 0.154 19.134 19.000 -0.033 0.000 0.902 75 A HN 0.204 nan 8.150 nan 0.000 0.499 76 G N -1.372 107.509 108.800 0.135 0.000 2.157 76 G HA2 -0.193 3.767 3.960 0.000 0.000 0.239 76 G HA3 -0.193 3.767 3.960 0.000 0.000 0.239 76 G C 0.158 175.221 174.900 0.271 0.000 0.982 76 G CA 0.108 45.370 45.100 0.271 0.000 0.650 76 G HN 0.766 nan 8.290 nan 0.000 0.527 77 V N 1.451 121.318 119.914 -0.077 0.000 2.546 77 V HA 0.577 4.697 4.120 0.000 0.000 0.284 77 V C 0.759 176.708 176.094 -0.241 0.000 1.050 77 V CA -0.555 61.612 62.300 -0.222 0.000 0.981 77 V CB 1.641 33.244 31.823 -0.367 0.000 0.990 77 V HN 0.469 nan 8.190 nan 0.000 0.474 78 L N 7.747 128.737 121.223 -0.388 0.000 2.315 78 L HA 0.548 4.889 4.340 0.000 0.000 0.283 78 L C -0.243 176.244 176.870 -0.638 0.000 1.089 78 L CA 0.531 54.927 54.840 -0.740 0.000 0.833 78 L CB 0.054 41.642 42.059 -0.786 0.000 1.170 78 L HN 0.658 nan 8.230 nan 0.000 0.442 79 I N 1.160 121.279 120.570 -0.751 0.000 3.067 79 I HA 0.542 4.712 4.170 0.000 0.000 0.312 79 I C -1.056 174.485 176.117 -0.959 0.000 1.073 79 I CA -0.871 59.669 61.300 -1.267 0.000 1.016 79 I CB 2.123 39.567 38.000 -0.927 0.000 1.227 79 I HN 0.608 nan 8.210 nan 0.000 0.456 80 H N 2.335 120.640 119.070 -1.276 0.000 2.673 80 H HA 0.307 4.863 4.556 0.000 0.000 0.293 80 H C -2.123 173.009 175.328 -0.327 0.000 1.065 80 H CA -1.901 53.844 56.048 -0.504 0.000 1.236 80 H CB 1.197 30.899 29.762 -0.100 0.000 1.389 80 H HN 0.445 nan 8.280 nan 0.000 0.481 81 P HA -0.208 nan 4.420 nan 0.000 0.217 81 P C -0.030 176.957 177.300 -0.521 0.000 1.148 81 P CA 1.469 64.309 63.100 -0.434 0.000 0.828 81 P CB 0.090 31.396 31.700 -0.657 0.000 0.783 82 Y N -1.072 119.140 120.300 -0.147 0.000 2.746 82 Y HA 0.520 5.070 4.550 0.000 0.000 0.312 82 Y C 1.241 176.893 175.900 -0.414 0.000 1.117 82 Y CA -0.215 57.756 58.100 -0.216 0.000 1.324 82 Y CB -0.130 38.381 38.460 0.084 0.000 1.173 82 Y HN -0.087 nan 8.280 nan 0.000 0.529 83 G N 1.376 109.844 108.800 -0.553 0.000 2.675 83 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 83 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 83 G C -3.162 171.995 174.900 0.429 0.000 1.215 83 G CA -1.572 43.430 45.100 -0.164 0.000 0.777 83 G HN -0.037 nan 8.290 nan 0.000 0.638 84 P HA 0.216 nan 4.420 nan 0.000 0.266 84 P C -0.594 177.072 177.300 0.610 0.000 1.215 84 P CA 0.378 63.871 63.100 0.655 0.000 0.763 84 P CB 0.277 32.106 31.700 0.216 0.000 0.806 85 H N 3.155 122.558 119.070 0.555 0.000 2.581 85 H HA 0.415 4.972 4.556 0.000 0.000 0.308 85 H C 0.106 175.715 175.328 0.469 0.000 1.040 85 H CA -0.442 55.788 56.048 0.303 0.000 1.231 85 H CB 0.061 29.799 29.762 -0.041 0.000 1.396 85 H HN 0.270 nan 8.280 nan 0.000 0.467 86 I N 3.872 124.707 120.570 0.442 0.000 2.304 86 I HA 0.099 4.269 4.170 0.000 0.000 0.291 86 I C -0.151 176.250 176.117 0.473 0.000 1.018 86 I CA -0.443 61.127 61.300 0.450 0.000 1.260 86 I CB 0.340 38.491 38.000 0.252 0.000 1.390 86 I HN 0.420 nan 8.210 nan 0.000 0.475 87 F N 7.842 128.065 119.950 0.454 0.000 2.438 87 F HA 0.460 4.987 4.527 0.000 0.000 0.356 87 F C 0.228 176.159 175.800 0.219 0.000 1.099 87 F CA 0.172 58.372 58.000 0.334 0.000 1.185 87 F CB 0.122 39.400 39.000 0.462 0.000 1.115 87 F HN 0.655 nan 8.300 nan 0.000 0.526 88 H N 1.501 120.038 119.070 -0.888 0.000 3.046 88 H HA 0.711 5.267 4.556 0.000 0.000 0.361 88 H C -1.212 173.632 175.328 -0.806 0.000 1.235 88 H CA -1.066 54.575 56.048 -0.679 0.000 1.146 88 H CB 2.054 31.427 29.762 -0.647 0.000 1.859 88 H HN 0.598 nan 8.280 nan 0.000 0.548 89 T N 0.450 114.758 114.554 -0.410 0.000 2.893 89 T HA 0.193 4.543 4.350 0.000 0.000 0.337 89 T C -0.646 174.078 174.700 0.039 0.000 1.587 89 T CA -0.765 61.167 62.100 -0.280 0.000 1.066 89 T CB 1.300 69.992 68.868 -0.293 0.000 1.414 89 T HN 0.753 nan 8.240 nan 0.000 0.488 90 N N 1.060 119.786 118.700 0.045 0.000 2.325 90 N HA 0.100 4.840 4.740 0.000 0.000 0.182 90 N C 0.495 176.120 175.510 0.192 0.000 1.088 90 N CA 0.191 53.317 53.050 0.128 0.000 0.879 90 N CB 0.610 39.130 38.487 0.056 0.000 0.983 90 N HN 0.560 nan 8.380 nan 0.000 0.471 91 S N 1.071 116.828 115.700 0.095 0.000 2.422 91 S HA 0.121 4.591 4.470 0.000 0.000 0.283 91 S C 1.255 175.825 174.600 -0.051 0.000 1.163 91 S CA -0.495 57.734 58.200 0.048 0.000 1.054 91 S CB 1.124 64.336 63.200 0.021 0.000 0.967 91 S HN 0.137 nan 8.310 nan 0.000 0.499 92 K N 3.698 124.073 120.400 -0.041 0.000 2.097 92 K HA -0.144 4.176 4.320 0.000 0.000 0.206 92 K C 0.924 177.478 176.600 -0.076 0.000 1.049 92 K CA 1.836 58.013 56.287 -0.184 0.000 0.933 92 K CB -0.119 32.392 32.500 0.019 0.000 0.717 92 K HN 0.657 nan 8.250 nan 0.000 0.442 93 D N 0.182 120.582 120.400 0.001 0.000 2.097 93 D HA -0.135 4.505 4.640 0.000 0.000 0.195 93 D C 1.970 178.318 176.300 0.080 0.000 0.989 93 D CA 1.109 55.132 54.000 0.039 0.000 0.827 93 D CB -0.153 40.670 40.800 0.037 0.000 0.966 93 D HN 0.035 nan 8.370 nan 0.000 0.456 94 V N 0.760 120.723 119.914 0.082 0.000 2.343 94 V HA -0.226 3.894 4.120 0.000 0.000 0.247 94 V C 2.212 178.441 176.094 0.225 0.000 1.051 94 V CA 1.290 63.689 62.300 0.164 0.000 1.036 94 V CB -0.571 31.342 31.823 0.150 0.000 0.654 94 V HN 0.110 nan 8.190 nan 0.000 0.451 95 F N 0.974 120.901 119.950 -0.039 0.000 2.134 95 F HA -0.171 4.356 4.527 0.000 0.000 0.299 95 F C 2.421 178.192 175.800 -0.049 0.000 1.097 95 F CA 1.940 59.868 58.000 -0.120 0.000 1.264 95 F CB -0.002 38.682 39.000 -0.526 0.000 1.001 95 F HN 0.198 nan 8.300 nan 0.000 0.479 96 E N -1.275 118.894 120.200 -0.052 0.000 2.208 96 E HA -0.232 4.118 4.350 0.000 0.000 0.193 96 E C 1.737 178.285 176.600 -0.088 0.000 0.988 96 E CA 1.057 57.406 56.400 -0.085 0.000 0.828 96 E CB -0.353 29.342 29.700 -0.009 0.000 0.763 96 E HN 0.634 nan 8.360 nan 0.000 0.478 97 Y N 0.901 121.145 120.300 -0.093 0.000 2.184 97 Y HA -0.172 4.378 4.550 0.000 0.000 0.290 97 Y C 1.888 177.717 175.900 -0.117 0.000 1.129 97 Y CA 0.992 59.047 58.100 -0.076 0.000 1.144 97 Y CB -0.064 38.411 38.460 0.026 0.000 0.995 97 Y HN -0.030 nan 8.280 nan 0.000 0.513 98 L N -0.080 121.098 121.223 -0.075 0.000 2.291 98 L HA -0.114 4.227 4.340 0.000 0.000 0.214 98 L C 2.426 179.116 176.870 -0.301 0.000 1.120 98 L CA 1.491 56.268 54.840 -0.104 0.000 0.799 98 L CB -1.208 40.909 42.059 0.096 0.000 0.925 98 L HN 0.195 nan 8.230 nan 0.000 0.446 99 S N -0.717 114.800 115.700 -0.304 0.000 2.442 99 S HA -0.144 4.326 4.470 0.000 0.000 0.236 99 S C 1.889 176.194 174.600 -0.492 0.000 1.007 99 S CA 0.705 58.727 58.200 -0.297 0.000 0.965 99 S CB -0.216 62.865 63.200 -0.198 0.000 0.773 99 S HN 0.445 nan 8.310 nan 0.000 0.504 100 R N -0.341 119.694 120.500 -0.776 0.000 2.285 100 R HA -0.001 4.339 4.340 0.000 0.000 0.213 100 R C 0.660 176.252 176.300 -1.180 0.000 1.068 100 R CA 1.033 56.478 56.100 -1.091 0.000 1.004 100 R CB -0.186 29.179 30.300 -1.558 0.000 0.873 100 R HN 0.484 nan 8.270 nan 0.000 0.467 101 F N -2.089 117.630 119.950 -0.386 0.000 2.817 101 F HA 0.245 4.772 4.527 0.000 0.000 0.333 101 F C 0.586 176.152 175.800 -0.390 0.000 1.085 101 F CA -0.443 57.342 58.000 -0.359 0.000 1.170 101 F CB 1.200 39.976 39.000 -0.373 0.000 1.066 101 F HN -0.237 nan 8.300 nan 0.000 0.564 102 T N -0.133 114.168 114.554 -0.422 0.000 2.853 102 T HA 0.359 4.710 4.350 0.000 0.000 0.311 102 T C -0.887 173.375 174.700 -0.730 0.000 1.307 102 T CA -0.474 61.300 62.100 -0.545 0.000 1.019 102 T CB 1.731 70.149 68.868 -0.751 0.000 1.264 102 T HN 0.032 nan 8.240 nan 0.000 0.497 103 E N 0.742 120.606 120.200 -0.560 0.000 2.602 103 E HA 0.532 4.882 4.350 0.000 0.000 0.255 103 E C -1.042 175.142 176.600 -0.693 0.000 1.268 103 E CA -0.574 55.528 56.400 -0.496 0.000 1.007 103 E CB 0.958 30.544 29.700 -0.190 0.000 1.208 103 E HN 0.503 nan 8.360 nan 0.000 0.584 104 W N -0.025 121.242 121.300 -0.055 0.000 2.936 104 W HA 0.412 5.072 4.660 0.000 0.000 0.338 104 W C -0.350 176.177 176.519 0.013 0.000 1.121 104 W CA -0.810 56.537 57.345 0.003 0.000 1.209 104 W CB 1.284 30.834 29.460 0.149 0.000 1.420 104 W HN 0.109 nan 8.180 nan 0.000 0.516 105 R N 3.185 123.871 120.500 0.311 0.000 2.320 105 R HA 0.415 4.755 4.340 0.000 0.000 0.319 105 R C -2.705 173.766 176.300 0.286 0.000 0.969 105 R CA -1.795 54.425 56.100 0.200 0.000 0.857 105 R CB 1.146 31.499 30.300 0.088 0.000 1.160 105 R HN 0.125 nan 8.270 nan 0.000 0.491 106 P HA -0.008 nan 4.420 nan 0.000 0.266 106 P C -1.589 175.904 177.300 0.321 0.000 1.195 106 P CA 0.305 63.547 63.100 0.237 0.000 0.768 106 P CB 0.177 31.970 31.700 0.155 0.000 0.838 107 Y N 1.230 121.618 120.300 0.147 0.000 2.333 107 Y HA 0.244 4.794 4.550 0.000 0.000 0.319 107 Y C -1.516 174.492 175.900 0.181 0.000 1.200 107 Y CA -0.511 57.690 58.100 0.168 0.000 1.084 107 Y CB 1.492 40.077 38.460 0.207 0.000 1.268 107 Y HN 0.322 nan 8.280 nan 0.000 0.422 108 Q N 5.117 124.679 119.800 -0.397 0.000 2.413 108 Q HA 0.222 4.562 4.340 0.000 0.000 0.258 108 Q C -1.190 174.464 176.000 -0.577 0.000 1.037 108 Q CA -1.013 54.584 55.803 -0.345 0.000 0.764 108 Q CB 1.256 29.916 28.738 -0.129 0.000 1.217 108 Q HN 0.629 nan 8.270 nan 0.000 0.490 109 H N 2.935 121.625 119.070 -0.633 0.000 3.070 109 H HA 0.055 4.611 4.556 0.000 0.000 0.313 109 H C -0.621 174.583 175.328 -0.206 0.000 0.997 109 H CA 0.837 56.644 56.048 -0.400 0.000 1.438 109 H CB 0.365 30.164 29.762 0.062 0.000 1.455 109 H HN 0.383 nan 8.280 nan 0.000 0.575 110 R N 3.976 124.189 120.500 -0.479 0.000 2.437 110 R HA 0.429 4.769 4.340 0.000 0.000 0.310 110 R C -1.188 174.780 176.300 -0.554 0.000 0.955 110 R CA -1.046 54.816 56.100 -0.396 0.000 0.851 110 R CB 1.919 32.085 30.300 -0.224 0.000 1.161 110 R HN 0.291 nan 8.270 nan 0.000 0.446 111 V N 4.721 124.360 119.914 -0.457 0.000 2.459 111 V HA 0.356 4.477 4.120 0.000 0.000 0.295 111 V C -0.449 175.483 176.094 -0.270 0.000 1.029 111 V CA -0.886 61.148 62.300 -0.444 0.000 0.874 111 V CB 1.668 33.167 31.823 -0.540 0.000 0.985 111 V HN 0.459 nan 8.190 nan 0.000 0.438 112 L N 3.684 124.753 121.223 -0.257 0.000 2.334 112 L HA 0.831 5.171 4.340 0.000 0.000 0.275 112 L C 0.341 177.085 176.870 -0.209 0.000 1.036 112 L CA -0.367 54.354 54.840 -0.198 0.000 0.807 112 L CB 1.624 43.574 42.059 -0.182 0.000 1.231 112 L HN 0.790 nan 8.230 nan 0.000 0.438 113 A N 1.451 124.179 122.820 -0.153 0.000 2.287 113 A HA 0.547 4.867 4.320 0.000 0.000 0.317 113 A C -0.169 177.305 177.584 -0.184 0.000 1.220 113 A CA -0.442 51.498 52.037 -0.162 0.000 0.835 113 A CB 0.857 19.843 19.000 -0.024 0.000 1.180 113 A HN 0.615 nan 8.150 nan 0.000 0.500 114 S N 2.314 117.821 115.700 -0.322 0.000 2.443 114 S HA 0.442 4.913 4.470 0.000 0.000 0.284 114 S C -0.494 174.011 174.600 -0.158 0.000 1.206 114 S CA -0.052 58.000 58.200 -0.245 0.000 1.074 114 S CB -0.591 62.393 63.200 -0.360 0.000 0.963 114 S HN 0.863 nan 8.310 nan 0.000 0.501 115 V N 5.387 125.215 119.914 -0.144 0.000 2.655 115 V HA 0.321 4.441 4.120 0.000 0.000 0.301 115 V C -0.691 175.316 176.094 -0.145 0.000 1.082 115 V CA -0.845 61.328 62.300 -0.211 0.000 0.899 115 V CB 1.821 33.395 31.823 -0.413 0.000 1.014 115 V HN 0.895 nan 8.190 nan 0.000 0.429 116 D N 3.878 124.208 120.400 -0.117 0.000 2.708 116 D HA -0.180 4.460 4.640 0.000 0.000 0.236 116 D C 1.367 177.642 176.300 -0.042 0.000 1.146 116 D CA 2.070 56.026 54.000 -0.072 0.000 0.662 116 D CB -1.042 39.713 40.800 -0.075 0.000 1.059 116 D HN 1.582 nan 8.370 nan 0.000 0.428 117 G N -0.675 108.110 108.800 -0.026 0.000 2.166 117 G HA2 -0.369 3.591 3.960 0.000 0.000 0.260 117 G HA3 -0.369 3.591 3.960 0.000 0.000 0.260 117 G C 0.248 175.142 174.900 -0.009 0.000 0.986 117 G CA 0.988 46.088 45.100 -0.001 0.000 0.683 117 G HN 0.541 nan 8.290 nan 0.000 0.527 118 Q N -1.123 118.658 119.800 -0.032 0.000 2.297 118 Q HA 0.751 5.092 4.340 0.000 0.000 0.268 118 Q C -0.032 175.938 176.000 -0.051 0.000 1.045 118 Q CA -0.914 54.868 55.803 -0.035 0.000 0.861 118 Q CB 1.772 30.487 28.738 -0.038 0.000 1.344 118 Q HN 0.271 nan 8.270 nan 0.000 0.452 119 L N 2.500 123.691 121.223 -0.052 0.000 2.276 119 L HA 0.410 4.750 4.340 0.000 0.000 0.286 119 L C -1.192 175.642 176.870 -0.061 0.000 1.024 119 L CA -0.641 54.154 54.840 -0.076 0.000 0.826 119 L CB 0.453 42.460 42.059 -0.087 0.000 1.211 119 L HN 0.249 nan 8.230 nan 0.000 0.422 120 L N 5.414 126.611 121.223 -0.042 0.000 2.342 120 L HA 0.641 4.981 4.340 0.000 0.000 0.271 120 L C -2.278 174.559 176.870 -0.055 0.000 1.008 120 L CA -2.492 52.334 54.840 -0.023 0.000 0.818 120 L CB 1.636 43.734 42.059 0.064 0.000 1.296 120 L HN 0.231 nan 8.230 nan 0.000 0.427 121 P HA 0.269 nan 4.420 nan 0.000 0.271 121 P C -0.838 176.363 177.300 -0.165 0.000 1.226 121 P CA -0.015 63.010 63.100 -0.124 0.000 0.765 121 P CB 0.661 32.288 31.700 -0.121 0.000 0.835 122 I N 5.570 126.042 120.570 -0.163 0.000 2.474 122 I HA 0.529 4.699 4.170 0.000 0.000 0.294 122 I C -2.623 173.401 176.117 -0.155 0.000 1.005 122 I CA -3.539 57.635 61.300 -0.211 0.000 1.113 122 I CB 1.754 39.631 38.000 -0.206 0.000 1.289 122 I HN 0.181 nan 8.210 nan 0.000 0.436 123 P HA 0.146 nan 4.420 nan 0.000 0.266 123 P C -0.513 176.643 177.300 -0.240 0.000 1.195 123 P CA 0.157 63.097 63.100 -0.266 0.000 0.768 123 P CB 0.186 31.720 31.700 -0.277 0.000 0.838 124 I N 2.964 123.368 120.570 -0.277 0.000 2.845 124 I HA -0.137 4.033 4.170 0.000 0.000 0.290 124 I C 1.245 177.302 176.117 -0.101 0.000 1.202 124 I CA 0.733 61.872 61.300 -0.269 0.000 1.406 124 I CB -0.490 37.354 38.000 -0.259 0.000 1.383 124 I HN 0.517 nan 8.210 nan 0.000 0.549 125 N N 6.311 124.953 118.700 -0.097 0.000 2.989 125 N HA 0.262 5.002 4.740 0.000 0.000 0.338 125 N C 0.580 176.064 175.510 -0.043 0.000 1.369 125 N CA -0.888 52.135 53.050 -0.046 0.000 0.794 125 N CB 0.407 38.845 38.487 -0.081 0.000 1.359 125 N HN 0.404 nan 8.380 nan 0.000 0.609 126 L N -0.407 120.776 121.223 -0.066 0.000 2.079 126 L HA -0.136 4.204 4.340 0.000 0.000 0.210 126 L C 0.445 177.251 176.870 -0.108 0.000 1.081 126 L CA 2.142 56.919 54.840 -0.104 0.000 0.752 126 L CB -0.606 41.388 42.059 -0.109 0.000 0.896 126 L HN 0.512 nan 8.230 nan 0.000 0.433 127 D N -0.636 119.707 120.400 -0.094 0.000 2.144 127 D HA -0.133 4.507 4.640 0.000 0.000 0.200 127 D C 2.037 178.281 176.300 -0.094 0.000 0.978 127 D CA 1.688 55.635 54.000 -0.089 0.000 0.833 127 D CB -0.087 40.666 40.800 -0.079 0.000 0.961 127 D HN 0.372 nan 8.370 nan 0.000 0.470 128 T N 0.892 115.384 114.554 -0.103 0.000 2.652 128 T HA -0.111 4.239 4.350 0.000 0.000 0.267 128 T C 2.314 176.945 174.700 -0.115 0.000 1.039 128 T CA 0.919 62.953 62.100 -0.110 0.000 1.153 128 T CB -0.473 68.281 68.868 -0.189 0.000 0.863 128 T HN -0.020 nan 8.240 nan 0.000 0.428 129 V N 2.344 122.188 119.914 -0.117 0.000 2.358 129 V HA -0.155 3.965 4.120 0.000 0.000 0.246 129 V C 2.468 178.466 176.094 -0.160 0.000 1.047 129 V CA 1.518 63.731 62.300 -0.144 0.000 1.035 129 V CB -0.624 31.087 31.823 -0.187 0.000 0.658 129 V HN 0.424 nan 8.190 nan 0.000 0.452 130 N N 0.232 118.846 118.700 -0.144 0.000 2.106 130 N HA -0.089 4.651 4.740 0.000 0.000 0.188 130 N C 1.994 177.458 175.510 -0.075 0.000 1.029 130 N CA 1.236 54.223 53.050 -0.105 0.000 0.848 130 N CB -0.329 38.099 38.487 -0.098 0.000 1.007 130 N HN 0.436 nan 8.380 nan 0.000 0.423 131 R N 0.252 120.702 120.500 -0.084 0.000 2.096 131 R HA -0.052 4.288 4.340 0.000 0.000 0.235 131 R C 2.036 178.289 176.300 -0.079 0.000 1.127 131 R CA 0.686 56.746 56.100 -0.066 0.000 0.968 131 R CB -0.373 29.892 30.300 -0.060 0.000 0.861 131 R HN 0.151 nan 8.270 nan 0.000 0.440 132 L N -0.562 120.573 121.223 -0.146 0.000 2.072 132 L HA -0.124 4.216 4.340 0.000 0.000 0.205 132 L C 1.340 178.084 176.870 -0.209 0.000 1.079 132 L CA 1.786 56.486 54.840 -0.234 0.000 0.752 132 L CB -0.210 41.611 42.059 -0.396 0.000 0.906 132 L HN 0.063 nan 8.230 nan 0.000 0.436 133 Y N -0.028 120.268 120.300 -0.006 0.000 2.478 133 Y HA 0.441 4.991 4.550 0.000 0.000 0.261 133 Y C 1.881 177.764 175.900 -0.028 0.000 1.127 133 Y CA -0.168 57.925 58.100 -0.012 0.000 1.288 133 Y CB -0.258 38.180 38.460 -0.037 0.000 1.084 133 Y HN 0.257 nan 8.280 nan 0.000 0.530 134 G N 0.547 109.396 108.800 0.080 0.000 2.136 134 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 134 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 134 G C 0.107 175.018 174.900 0.018 0.000 0.989 134 G CA 0.118 45.240 45.100 0.037 0.000 0.682 134 G HN 0.246 nan 8.290 nan 0.000 0.522 135 L N -0.323 120.904 121.223 0.007 0.000 2.475 135 L HA 0.410 4.750 4.340 0.000 0.000 0.253 135 L C 0.927 177.763 176.870 -0.057 0.000 1.198 135 L CA -0.593 54.221 54.840 -0.043 0.000 0.814 135 L CB 0.421 42.412 42.059 -0.114 0.000 1.134 135 L HN 0.047 nan 8.230 nan 0.000 0.478 136 N N 1.537 120.200 118.700 -0.061 0.000 2.553 136 N HA 0.285 5.025 4.740 0.000 0.000 0.298 136 N C -0.556 174.918 175.510 -0.060 0.000 1.596 136 N CA -0.125 52.893 53.050 -0.052 0.000 0.910 136 N CB 0.626 39.095 38.487 -0.031 0.000 1.336 136 N HN 0.408 nan 8.380 nan 0.000 0.497 137 L N 0.513 121.675 121.223 -0.101 0.000 2.483 137 L HA 0.094 4.434 4.340 0.000 0.000 0.275 137 L C 1.276 178.105 176.870 -0.068 0.000 1.220 137 L CA 0.708 55.486 54.840 -0.104 0.000 0.833 137 L CB 0.437 42.378 42.059 -0.198 0.000 1.102 137 L HN -0.007 nan 8.230 nan 0.000 0.490 138 T N 0.151 114.690 114.554 -0.024 0.000 2.897 138 T HA 0.135 4.485 4.350 0.000 0.000 0.278 138 T C 1.185 175.859 174.700 -0.044 0.000 0.981 138 T CA -0.442 61.667 62.100 0.016 0.000 0.973 138 T CB 1.691 70.639 68.868 0.134 0.000 1.092 138 T HN 0.675 nan 8.240 nan 0.000 0.543 139 S N 0.787 116.409 115.700 -0.130 0.000 2.368 139 S HA -0.059 4.411 4.470 0.000 0.000 0.225 139 S C 1.706 176.133 174.600 -0.289 0.000 1.030 139 S CA 1.418 59.438 58.200 -0.301 0.000 0.999 139 S CB -0.456 62.422 63.200 -0.537 0.000 0.844 139 S HN 0.663 nan 8.310 nan 0.000 0.459 140 F N 1.606 121.543 119.950 -0.022 0.000 2.365 140 F HA -0.031 4.496 4.527 0.000 0.000 0.300 140 F C 2.450 178.243 175.800 -0.013 0.000 1.090 140 F CA 0.672 58.664 58.000 -0.013 0.000 1.408 140 F CB -0.423 38.570 39.000 -0.012 0.000 1.060 140 F HN 0.210 nan 8.300 nan 0.000 0.534 141 Q N -0.578 119.297 119.800 0.124 0.000 2.408 141 Q HA 0.007 4.347 4.340 0.000 0.000 0.205 141 Q C 2.188 178.190 176.000 0.005 0.000 0.919 141 Q CA 0.251 56.091 55.803 0.063 0.000 0.932 141 Q CB 0.171 28.934 28.738 0.043 0.000 1.058 141 Q HN 0.279 nan 8.270 nan 0.000 0.517 142 V N 0.738 120.615 119.914 -0.063 0.000 2.453 142 V HA -0.231 3.890 4.120 0.000 0.000 0.247 142 V C 2.011 178.017 176.094 -0.146 0.000 1.048 142 V CA 1.841 64.033 62.300 -0.180 0.000 1.049 142 V CB -0.259 31.426 31.823 -0.229 0.000 0.672 142 V HN 0.358 nan 8.190 nan 0.000 0.457 143 E N 0.225 120.431 120.200 0.010 0.000 2.051 143 E HA -0.241 4.109 4.350 0.000 0.000 0.192 143 E C 2.208 178.874 176.600 0.110 0.000 0.991 143 E CA 1.640 58.115 56.400 0.124 0.000 0.799 143 E CB -0.038 29.723 29.700 0.102 0.000 0.748 143 E HN 0.717 nan 8.360 nan 0.000 0.449 144 E N 0.051 120.294 120.200 0.072 0.000 2.033 144 E HA -0.242 4.109 4.350 0.000 0.000 0.199 144 E C 1.991 178.620 176.600 0.049 0.000 1.011 144 E CA 1.309 57.745 56.400 0.060 0.000 0.815 144 E CB -0.465 29.269 29.700 0.057 0.000 0.755 144 E HN 0.275 nan 8.360 nan 0.000 0.451 145 F N 1.582 121.471 119.950 -0.102 0.000 2.045 145 F HA -0.327 4.200 4.527 0.000 0.000 0.297 145 F C 1.976 177.745 175.800 -0.052 0.000 1.114 145 F CA 1.643 59.560 58.000 -0.138 0.000 1.207 145 F CB -0.435 38.406 39.000 -0.264 0.000 0.964 145 F HN -0.101 nan 8.300 nan 0.000 0.486 146 F N 0.920 120.843 119.950 -0.045 0.000 2.027 146 F HA -0.239 4.288 4.527 0.000 0.000 0.297 146 F C 2.770 178.452 175.800 -0.197 0.000 1.129 146 F CA 1.372 59.284 58.000 -0.147 0.000 1.195 146 F CB -1.829 37.181 39.000 0.018 0.000 0.960 146 F HN 0.134 nan 8.300 nan 0.000 0.485 147 A N 0.033 122.910 122.820 0.095 0.000 1.915 147 A HA -0.317 4.003 4.320 0.000 0.000 0.220 147 A C 2.326 179.871 177.584 -0.065 0.000 1.198 147 A CA 2.882 54.925 52.037 0.009 0.000 0.647 147 A CB -1.511 17.500 19.000 0.019 0.000 0.825 147 A HN 0.461 nan 8.150 nan 0.000 0.456 148 S N -0.798 114.829 115.700 -0.122 0.000 2.584 148 S HA 0.031 4.501 4.470 0.000 0.000 0.240 148 S C 1.246 175.720 174.600 -0.210 0.000 0.975 148 S CA 1.491 59.599 58.200 -0.154 0.000 0.949 148 S CB -0.570 62.534 63.200 -0.159 0.000 0.761 148 S HN 1.266 nan 8.310 nan 0.000 0.536 149 V N -3.453 116.320 119.914 -0.234 0.000 3.480 149 V HA 0.634 4.754 4.120 0.000 0.000 0.263 149 V C 1.294 177.330 176.094 -0.096 0.000 1.442 149 V CA -0.139 62.046 62.300 -0.191 0.000 1.053 149 V CB -0.873 30.777 31.823 -0.288 0.000 0.846 149 V HN 0.514 nan 8.190 nan 0.000 0.440 150 A N 1.160 123.936 122.820 -0.073 0.000 2.325 150 A HA 0.409 4.730 4.320 0.000 0.000 0.283 150 A C 0.226 177.770 177.584 -0.067 0.000 1.211 150 A CA 0.806 52.808 52.037 -0.059 0.000 0.850 150 A CB -0.154 18.820 19.000 -0.043 0.000 1.122 150 A HN 0.741 nan 8.150 nan 0.000 0.515 151 E N -1.308 118.849 120.200 -0.073 0.000 2.335 151 E HA 0.285 4.635 4.350 0.000 0.000 0.280 151 E C -1.196 175.363 176.600 -0.069 0.000 0.918 151 E CA -0.705 55.652 56.400 -0.071 0.000 0.765 151 E CB 1.691 31.342 29.700 -0.082 0.000 1.218 151 E HN 0.613 nan 8.360 nan 0.000 0.425 152 K N 2.404 122.770 120.400 -0.057 0.000 2.436 152 K HA 0.149 4.469 4.320 0.000 0.000 0.282 152 K C -0.923 175.642 176.600 -0.057 0.000 1.044 152 K CA -0.019 56.237 56.287 -0.051 0.000 1.028 152 K CB 0.664 33.139 32.500 -0.041 0.000 0.919 152 K HN 0.267 nan 8.250 nan 0.000 0.474 153 V N 6.360 126.239 119.914 -0.059 0.000 2.357 153 V HA 0.079 4.200 4.120 0.000 0.000 0.284 153 V C 1.088 177.153 176.094 -0.049 0.000 1.018 153 V CA -0.433 61.830 62.300 -0.061 0.000 0.841 153 V CB 1.287 33.066 31.823 -0.073 0.000 0.991 153 V HN 1.040 nan 8.190 nan 0.000 0.437 154 E N 4.707 124.881 120.200 -0.044 0.000 2.097 154 E HA -0.236 4.114 4.350 0.000 0.000 0.196 154 E C 0.593 177.171 176.600 -0.036 0.000 1.000 154 E CA 1.064 57.442 56.400 -0.037 0.000 0.804 154 E CB 0.212 29.892 29.700 -0.033 0.000 0.740 154 E HN 0.744 nan 8.360 nan 0.000 0.454 155 Q N 0.166 119.942 119.800 -0.040 0.000 2.281 155 Q HA 0.312 4.652 4.340 0.000 0.000 0.263 155 Q C -1.797 174.175 176.000 -0.046 0.000 0.989 155 Q CA -0.398 55.382 55.803 -0.039 0.000 0.852 155 Q CB 2.441 31.159 28.738 -0.033 0.000 1.337 155 Q HN -0.020 nan 8.270 nan 0.000 0.418 156 V N 5.766 125.651 119.914 -0.049 0.000 2.403 156 V HA 0.124 4.244 4.120 0.000 0.000 0.265 156 V C 0.968 177.031 176.094 -0.052 0.000 1.034 156 V CA 0.708 62.974 62.300 -0.057 0.000 1.036 156 V CB 0.670 32.457 31.823 -0.061 0.000 1.032 156 V HN 0.773 nan 8.190 nan 0.000 0.478 157 R N 3.128 123.595 120.500 -0.055 0.000 2.167 157 R HA 0.122 4.462 4.340 0.000 0.000 0.195 157 R C 1.006 177.270 176.300 -0.060 0.000 1.027 157 R CA 0.906 56.975 56.100 -0.051 0.000 1.114 157 R CB 0.591 30.863 30.300 -0.045 0.000 1.075 157 R HN 0.748 nan 8.270 nan 0.000 0.538 158 T N -2.370 112.144 114.554 -0.067 0.000 2.922 158 T HA 0.277 4.627 4.350 0.000 0.000 0.281 158 T C 0.787 175.438 174.700 -0.082 0.000 1.005 158 T CA -0.640 61.414 62.100 -0.077 0.000 0.982 158 T CB 1.718 70.545 68.868 -0.068 0.000 1.158 158 T HN -0.051 nan 8.240 nan 0.000 0.566 159 S N -0.284 115.364 115.700 -0.087 0.000 2.555 159 S HA 0.048 4.518 4.470 0.000 0.000 0.230 159 S C 0.682 175.257 174.600 -0.041 0.000 0.978 159 S CA 0.333 58.492 58.200 -0.069 0.000 0.934 159 S CB -0.374 62.783 63.200 -0.071 0.000 0.766 159 S HN 0.660 nan 8.310 nan 0.000 0.533 160 E N 0.624 120.805 120.200 -0.031 0.000 2.248 160 E HA 0.134 4.485 4.350 0.000 0.000 0.272 160 E C -0.323 176.214 176.600 -0.105 0.000 1.008 160 E CA -0.194 56.191 56.400 -0.027 0.000 0.856 160 E CB 0.596 30.293 29.700 -0.006 0.000 1.120 160 E HN -0.027 nan 8.360 nan 0.000 0.397 161 D N 0.712 121.017 120.400 -0.158 0.000 2.705 161 D HA -0.209 4.431 4.640 0.000 0.000 0.187 161 D C 0.891 177.102 176.300 -0.148 0.000 1.015 161 D CA 1.031 54.935 54.000 -0.160 0.000 1.030 161 D CB -1.200 39.522 40.800 -0.131 0.000 1.100 161 D HN 0.288 nan 8.370 nan 0.000 0.439 162 V N 0.541 120.365 119.914 -0.150 0.000 3.573 162 V HA 0.024 4.144 4.120 0.000 0.000 0.270 162 V C 1.769 177.716 176.094 -0.245 0.000 1.221 162 V CA 1.684 63.886 62.300 -0.163 0.000 1.163 162 V CB 0.338 32.082 31.823 -0.133 0.000 0.847 162 V HN 0.373 nan 8.190 nan 0.000 0.468 163 V N -3.416 116.328 119.914 -0.284 0.000 3.278 163 V HA 0.181 4.302 4.120 0.000 0.000 0.215 163 V C 1.899 177.846 176.094 -0.245 0.000 1.287 163 V CA 1.174 63.243 62.300 -0.385 0.000 1.302 163 V CB 0.016 31.407 31.823 -0.719 0.000 1.228 163 V HN 0.039 nan 8.190 nan 0.000 0.523 164 V N 2.885 122.670 119.914 -0.214 0.000 3.140 164 V HA -0.126 3.994 4.120 0.000 0.000 0.269 164 V C 2.731 178.718 176.094 -0.180 0.000 1.149 164 V CA 2.259 64.416 62.300 -0.237 0.000 1.162 164 V CB -1.350 30.206 31.823 -0.444 0.000 0.756 164 V HN 0.855 nan 8.190 nan 0.000 0.523 165 S N -0.794 114.804 115.700 -0.169 0.000 2.497 165 S HA 0.089 4.559 4.470 0.000 0.000 0.221 165 S C 1.739 176.259 174.600 -0.132 0.000 1.037 165 S CA 0.004 58.123 58.200 -0.134 0.000 0.920 165 S CB -0.020 63.108 63.200 -0.121 0.000 0.800 165 S HN 0.550 nan 8.310 nan 0.000 0.505 166 K N 0.941 121.234 120.400 -0.178 0.000 2.379 166 K HA 0.213 4.533 4.320 0.000 0.000 0.194 166 K C 0.887 177.302 176.600 -0.308 0.000 1.031 166 K CA 0.927 57.084 56.287 -0.218 0.000 1.037 166 K CB 0.896 33.239 32.500 -0.261 0.000 0.824 166 K HN 0.497 nan 8.250 nan 0.000 0.516 167 V N -5.117 114.658 119.914 -0.232 0.000 3.869 167 V HA 0.355 4.475 4.120 0.000 0.000 0.310 167 V C 0.184 176.297 176.094 0.033 0.000 1.641 167 V CA -0.105 62.085 62.300 -0.183 0.000 1.269 167 V CB -0.040 31.592 31.823 -0.319 0.000 0.997 167 V HN 0.234 nan 8.190 nan 0.000 0.435 168 G N 1.560 110.351 108.800 -0.014 0.000 2.760 168 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 168 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 168 G C 0.156 175.099 174.900 0.072 0.000 1.359 168 G CA 0.385 45.491 45.100 0.011 0.000 0.861 168 G HN 0.429 nan 8.290 nan 0.000 0.541 169 R N -0.771 119.776 120.500 0.079 0.000 2.237 169 R HA 0.103 4.443 4.340 0.000 0.000 0.195 169 R C 2.036 178.489 176.300 0.256 0.000 0.956 169 R CA 0.808 56.989 56.100 0.135 0.000 1.029 169 R CB -0.071 30.256 30.300 0.044 0.000 0.972 169 R HN 0.580 nan 8.270 nan 0.000 0.493 170 D N 0.948 121.484 120.400 0.226 0.000 2.097 170 D HA -0.113 4.527 4.640 0.000 0.000 0.197 170 D C 1.724 178.224 176.300 0.334 0.000 0.984 170 D CA 1.107 55.266 54.000 0.264 0.000 0.826 170 D CB 0.100 41.071 40.800 0.284 0.000 0.973 170 D HN 0.070 nan 8.370 nan 0.000 0.460 171 L N -0.375 121.097 121.223 0.414 0.000 2.275 171 L HA -0.117 4.223 4.340 0.000 0.000 0.215 171 L C 2.130 179.338 176.870 0.564 0.000 1.119 171 L CA 0.744 55.901 54.840 0.529 0.000 0.790 171 L CB -0.436 41.928 42.059 0.508 0.000 0.919 171 L HN 0.235 nan 8.230 nan 0.000 0.443 172 Y N 0.657 121.140 120.300 0.305 0.000 2.286 172 Y HA -0.116 4.434 4.550 0.000 0.000 0.293 172 Y C 2.204 178.262 175.900 0.263 0.000 1.124 172 Y CA 1.313 59.593 58.100 0.299 0.000 1.178 172 Y CB -0.023 38.510 38.460 0.122 0.000 1.010 172 Y HN 0.141 nan 8.280 nan 0.000 0.536 173 N N 0.492 119.299 118.700 0.179 0.000 2.331 173 N HA -0.072 4.668 4.740 0.000 0.000 0.180 173 N C 1.363 176.838 175.510 -0.058 0.000 1.019 173 N CA 1.265 54.322 53.050 0.011 0.000 0.881 173 N CB -0.117 38.444 38.487 0.123 0.000 0.972 173 N HN 0.408 nan 8.380 nan 0.000 0.435 174 K N -1.175 119.194 120.400 -0.051 0.000 2.211 174 K HA 0.167 4.487 4.320 0.000 0.000 0.201 174 K C 0.710 176.967 176.600 -0.572 0.000 1.052 174 K CA 0.690 56.781 56.287 -0.328 0.000 0.973 174 K CB 0.195 32.438 32.500 -0.428 0.000 0.766 174 K HN 0.107 nan 8.250 nan 0.000 0.466 175 F N -2.257 117.653 119.950 -0.066 0.000 2.711 175 F HA 0.209 4.736 4.527 0.000 0.000 0.296 175 F C 1.222 176.738 175.800 -0.473 0.000 1.096 175 F CA -0.054 57.780 58.000 -0.276 0.000 1.280 175 F CB 0.474 39.273 39.000 -0.336 0.000 1.060 175 F HN -0.128 nan 8.300 nan 0.000 0.608 176 F N -0.839 119.109 119.950 -0.003 0.000 2.537 176 F HA 0.269 4.796 4.527 0.000 0.000 0.277 176 F C 2.306 178.001 175.800 -0.176 0.000 1.013 176 F CA 0.088 58.048 58.000 -0.066 0.000 1.332 176 F CB -0.404 38.570 39.000 -0.044 0.000 1.108 176 F HN -0.399 nan 8.300 nan 0.000 0.679 177 R N 0.667 120.971 120.500 -0.327 0.000 2.082 177 R HA -0.110 4.230 4.340 0.000 0.000 0.228 177 R C 2.438 178.700 176.300 -0.063 0.000 1.140 177 R CA 1.800 57.687 56.100 -0.355 0.000 0.920 177 R CB -1.176 28.794 30.300 -0.550 0.000 0.828 177 R HN 0.376 nan 8.270 nan 0.000 0.430 178 G N -0.594 108.173 108.800 -0.056 0.000 2.469 178 G HA2 -0.339 3.621 3.960 0.000 0.000 0.220 178 G HA3 -0.339 3.621 3.960 0.000 0.000 0.220 178 G C 1.311 176.235 174.900 0.039 0.000 1.136 178 G CA 1.043 46.139 45.100 -0.006 0.000 0.759 178 G HN 0.486 nan 8.290 nan 0.000 0.562 179 Y N 1.410 121.680 120.300 -0.050 0.000 2.163 179 Y HA -0.084 4.466 4.550 0.000 0.000 0.288 179 Y C 3.169 179.077 175.900 0.013 0.000 1.136 179 Y CA 2.142 60.222 58.100 -0.033 0.000 1.147 179 Y CB -0.196 38.221 38.460 -0.072 0.000 0.987 179 Y HN 0.187 nan 8.280 nan 0.000 0.509 180 T N 0.837 115.551 114.554 0.267 0.000 2.777 180 T HA -0.192 4.158 4.350 0.000 0.000 0.266 180 T C 1.971 176.807 174.700 0.227 0.000 1.040 180 T CA 1.503 63.794 62.100 0.318 0.000 1.141 180 T CB -0.319 68.769 68.868 0.367 0.000 0.868 180 T HN 0.320 nan 8.240 nan 0.000 0.444 181 R N 1.171 121.750 120.500 0.131 0.000 2.117 181 R HA -0.139 4.201 4.340 0.000 0.000 0.243 181 R C 2.351 178.679 176.300 0.046 0.000 1.143 181 R CA 1.704 57.862 56.100 0.097 0.000 0.968 181 R CB -0.144 30.190 30.300 0.057 0.000 0.863 181 R HN 0.307 nan 8.270 nan 0.000 0.444 182 K N 0.077 120.451 120.400 -0.042 0.000 2.044 182 K HA -0.192 4.128 4.320 0.000 0.000 0.204 182 K C 2.228 178.726 176.600 -0.170 0.000 1.049 182 K CA 1.410 57.630 56.287 -0.111 0.000 0.945 182 K CB -0.052 32.335 32.500 -0.188 0.000 0.724 182 K HN 0.105 nan 8.250 nan 0.000 0.440 183 Q N -0.228 119.378 119.800 -0.323 0.000 2.045 183 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 183 Q C 0.998 176.721 176.000 -0.461 0.000 0.991 183 Q CA 2.510 58.001 55.803 -0.519 0.000 0.851 183 Q CB -0.169 28.094 28.738 -0.791 0.000 0.911 183 Q HN 0.468 nan 8.270 nan 0.000 0.418 184 W N -0.500 120.799 121.300 -0.002 0.000 3.103 184 W HA 0.520 5.180 4.660 0.000 0.000 0.325 184 W C 0.351 176.896 176.519 0.043 0.000 1.170 184 W CA 0.043 57.410 57.345 0.037 0.000 1.712 184 W CB 0.228 29.703 29.460 0.024 0.000 1.068 184 W HN 0.319 nan 8.180 nan 0.000 0.592 185 G N 1.810 110.729 108.800 0.199 0.000 2.854 185 G HA2 -0.040 3.920 3.960 0.000 0.000 0.686 185 G HA3 -0.040 3.920 3.960 0.000 0.000 0.686 185 G C -0.256 174.729 174.900 0.141 0.000 1.202 185 G CA -0.096 45.087 45.100 0.138 0.000 0.878 185 G HN 0.956 nan 8.290 nan 0.000 0.583 186 L N -0.124 121.159 121.223 0.100 0.000 2.354 186 L HA -0.031 4.309 4.340 0.000 0.000 0.474 186 L C 0.046 176.964 176.870 0.081 0.000 0.748 186 L CA 2.946 57.837 54.840 0.085 0.000 2.562 186 L CB -1.478 40.633 42.059 0.087 0.000 1.078 186 L HN 2.539 nan 8.230 nan 0.000 0.593 187 D N -2.007 118.449 120.400 0.093 0.000 10.644 187 D HA 0.004 4.644 4.640 0.000 0.000 0.344 187 D C -1.895 174.473 176.300 0.112 0.000 3.139 187 D CA 0.676 54.733 54.000 0.094 0.000 2.654 187 D CB -0.525 40.321 40.800 0.077 0.000 1.242 187 D HN 0.279 nan 8.370 nan 0.000 0.947 188 P HA -0.178 nan 4.420 nan 0.000 0.298 188 P C -0.775 176.599 177.300 0.123 0.000 1.953 188 P CA 1.566 64.775 63.100 0.182 0.000 1.751 188 P CB -0.159 31.648 31.700 0.179 0.000 0.261 189 S N -2.396 113.361 115.700 0.094 0.000 2.562 189 S HA 0.496 4.966 4.470 0.000 0.000 0.274 189 S C -0.429 174.169 174.600 -0.004 0.000 1.160 189 S CA -0.581 57.629 58.200 0.016 0.000 0.933 189 S CB 2.121 65.318 63.200 -0.005 0.000 1.100 189 S HN 0.580 nan 8.310 nan 0.000 0.468 190 E N -0.164 120.019 120.200 -0.028 0.000 3.763 190 E HA -0.194 4.157 4.350 0.000 0.000 0.319 190 E C -0.646 175.898 176.600 -0.094 0.000 0.804 190 E CA 0.886 57.262 56.400 -0.040 0.000 1.196 190 E CB -1.586 28.107 29.700 -0.011 0.000 1.607 190 E HN 0.689 nan 8.360 nan 0.000 0.431 191 L N -0.102 121.046 121.223 -0.125 0.000 2.403 191 L HA 0.405 4.745 4.340 0.000 0.000 0.253 191 L C -0.037 176.734 176.870 -0.167 0.000 1.045 191 L CA -1.138 53.575 54.840 -0.211 0.000 0.845 191 L CB 1.541 43.398 42.059 -0.337 0.000 1.447 191 L HN -0.088 nan 8.230 nan 0.000 0.411 192 D N 0.293 120.578 120.400 -0.192 0.000 2.382 192 D HA 0.187 4.827 4.640 0.000 0.000 0.240 192 D C 0.692 176.913 176.300 -0.131 0.000 1.146 192 D CA 0.598 54.516 54.000 -0.137 0.000 0.897 192 D CB 1.776 42.495 40.800 -0.135 0.000 1.197 192 D HN 0.580 nan 8.370 nan 0.000 0.432 193 A N 2.280 125.045 122.820 -0.093 0.000 2.066 193 A HA -0.086 4.234 4.320 0.000 0.000 0.218 193 A C 2.126 179.667 177.584 -0.071 0.000 1.157 193 A CA 1.511 53.499 52.037 -0.082 0.000 0.670 193 A CB -0.777 18.181 19.000 -0.069 0.000 0.804 193 A HN 0.570 nan 8.150 nan 0.000 0.453 194 S N -0.273 115.386 115.700 -0.068 0.000 2.419 194 S HA -0.138 4.332 4.470 0.000 0.000 0.235 194 S C 1.850 176.427 174.600 -0.038 0.000 1.019 194 S CA 1.648 59.821 58.200 -0.045 0.000 0.982 194 S CB -0.555 62.619 63.200 -0.043 0.000 0.789 194 S HN 0.296 nan 8.310 nan 0.000 0.490 195 V N 1.837 121.706 119.914 -0.075 0.000 2.233 195 V HA -0.147 3.973 4.120 0.000 0.000 0.247 195 V C 2.851 178.978 176.094 0.055 0.000 1.050 195 V CA 2.294 64.574 62.300 -0.033 0.000 1.010 195 V CB -1.306 30.415 31.823 -0.170 0.000 0.637 195 V HN 0.882 nan 8.190 nan 0.000 0.444 196 T N -2.341 112.237 114.554 0.040 0.000 3.060 196 T HA 0.273 4.624 4.350 0.000 0.000 0.249 196 T C 1.509 176.214 174.700 0.009 0.000 1.079 196 T CA 0.709 62.860 62.100 0.086 0.000 1.013 196 T CB 0.206 69.116 68.868 0.071 0.000 0.975 196 T HN 0.395 nan 8.240 nan 0.000 0.518 197 A N 1.500 124.306 122.820 -0.024 0.000 2.235 197 A HA 0.239 4.559 4.320 0.000 0.000 0.208 197 A C 2.402 179.976 177.584 -0.016 0.000 1.172 197 A CA 0.073 52.085 52.037 -0.041 0.000 0.786 197 A CB -0.464 18.508 19.000 -0.045 0.000 0.804 197 A HN 0.458 nan 8.150 nan 0.000 0.479 198 R N -0.455 120.051 120.500 0.010 0.000 2.062 198 R HA -0.000 4.340 4.340 0.000 0.000 0.229 198 R C -0.012 176.271 176.300 -0.027 0.000 1.128 198 R CA 1.122 57.235 56.100 0.022 0.000 0.960 198 R CB -0.218 30.114 30.300 0.052 0.000 0.855 198 R HN 0.319 nan 8.270 nan 0.000 0.432 199 V N 4.262 124.159 119.914 -0.028 0.000 2.339 199 V HA 0.135 4.255 4.120 0.000 0.000 0.261 199 V C -1.673 174.386 176.094 -0.058 0.000 1.058 199 V CA -1.626 60.611 62.300 -0.104 0.000 0.897 199 V CB 0.374 32.160 31.823 -0.062 0.000 1.052 199 V HN 0.140 nan 8.190 nan 0.000 0.480 200 P HA 0.150 nan 4.420 nan 0.000 0.302 200 P C 0.007 177.247 177.300 -0.101 0.000 1.301 200 P CA 0.090 63.128 63.100 -0.103 0.000 0.770 200 P CB 0.480 32.112 31.700 -0.113 0.000 1.458 201 T N -0.678 113.807 114.554 -0.115 0.000 3.041 201 T HA 0.409 4.759 4.350 0.000 0.000 0.321 201 T C -0.603 174.060 174.700 -0.061 0.000 1.184 201 T CA -0.584 61.441 62.100 -0.123 0.000 1.050 201 T CB 1.350 70.065 68.868 -0.254 0.000 1.159 201 T HN 0.242 nan 8.240 nan 0.000 0.469 202 R N 0.829 121.325 120.500 -0.007 0.000 2.670 202 R HA 0.531 4.871 4.340 0.000 0.000 0.289 202 R C 1.151 177.497 176.300 0.077 0.000 0.965 202 R CA -0.730 55.374 56.100 0.006 0.000 0.899 202 R CB 1.353 31.623 30.300 -0.050 0.000 1.173 202 R HN 0.769 nan 8.270 nan 0.000 0.456 203 T N -2.416 112.159 114.554 0.035 0.000 3.081 203 T HA -0.045 4.305 4.350 0.000 0.000 0.255 203 T C 0.847 175.497 174.700 -0.084 0.000 1.113 203 T CA 0.158 62.258 62.100 0.000 0.000 1.082 203 T CB -0.269 68.577 68.868 -0.036 0.000 0.939 203 T HN 0.592 nan 8.240 nan 0.000 0.506 204 N N 1.794 120.443 118.700 -0.084 0.000 2.547 204 N HA 0.254 4.995 4.740 0.000 0.000 0.301 204 N C 0.570 176.025 175.510 -0.092 0.000 1.328 204 N CA -0.925 52.061 53.050 -0.107 0.000 0.932 204 N CB 0.348 38.774 38.487 -0.102 0.000 1.104 204 N HN 0.113 nan 8.380 nan 0.000 0.548 205 R N -1.880 118.567 120.500 -0.088 0.000 2.543 205 R HA 0.194 4.534 4.340 0.000 0.000 0.323 205 R C -0.753 175.499 176.300 -0.079 0.000 1.002 205 R CA -0.463 55.589 56.100 -0.081 0.000 1.106 205 R CB -0.058 30.197 30.300 -0.074 0.000 1.280 205 R HN 0.569 nan 8.270 nan 0.000 0.549 206 D N 2.169 122.519 120.400 -0.082 0.000 2.417 206 D HA -0.044 4.596 4.640 0.000 0.000 0.250 206 D C 0.475 176.716 176.300 -0.099 0.000 1.166 206 D CA 0.254 54.203 54.000 -0.085 0.000 0.881 206 D CB 0.756 41.505 40.800 -0.084 0.000 1.164 206 D HN 0.175 nan 8.370 nan 0.000 0.467 207 N N 2.427 121.067 118.700 -0.099 0.000 2.177 207 N HA 0.038 4.778 4.740 0.000 0.000 0.218 207 N C -0.172 175.263 175.510 -0.125 0.000 1.182 207 N CA -0.389 52.593 53.050 -0.113 0.000 0.882 207 N CB 0.046 38.471 38.487 -0.104 0.000 1.052 207 N HN 0.147 nan 8.380 nan 0.000 0.519 208 R N -0.163 120.267 120.500 -0.117 0.000 2.643 208 R HA 0.054 4.394 4.340 0.000 0.000 0.270 208 R C 0.462 176.668 176.300 -0.158 0.000 1.061 208 R CA -0.314 55.715 56.100 -0.118 0.000 1.107 208 R CB 0.320 30.573 30.300 -0.079 0.000 0.999 208 R HN 0.074 nan 8.270 nan 0.000 0.460 209 Y N 1.331 121.394 120.300 -0.396 0.000 2.314 209 Y HA 0.069 4.619 4.550 0.000 0.000 0.293 209 Y C -0.174 175.248 175.900 -0.796 0.000 1.129 209 Y CA 1.046 58.751 58.100 -0.658 0.000 1.201 209 Y CB 0.396 38.316 38.460 -0.900 0.000 0.999 209 Y HN 0.385 nan 8.280 nan 0.000 0.541 210 F N -1.591 118.312 119.950 -0.079 0.000 2.522 210 F HA 0.583 5.110 4.527 0.000 0.000 0.324 210 F C 0.593 176.321 175.800 -0.120 0.000 1.077 210 F CA -0.681 57.219 58.000 -0.165 0.000 0.944 210 F CB 1.590 40.437 39.000 -0.256 0.000 1.175 210 F HN -0.209 nan 8.300 nan 0.000 0.468 211 A N 0.697 123.568 122.820 0.084 0.000 2.594 211 A HA 0.312 4.632 4.320 0.000 0.000 0.287 211 A C -0.438 177.152 177.584 0.010 0.000 1.227 211 A CA -0.417 51.627 52.037 0.012 0.000 0.952 211 A CB -0.740 18.243 19.000 -0.029 0.000 1.161 211 A HN 0.674 nan 8.150 nan 0.000 0.524 212 D N -0.064 120.371 120.400 0.058 0.000 2.378 212 D HA 0.201 4.841 4.640 0.000 0.000 0.238 212 D C 1.360 177.600 176.300 -0.099 0.000 1.180 212 D CA 0.655 54.663 54.000 0.014 0.000 0.895 212 D CB 0.735 41.576 40.800 0.067 0.000 1.192 212 D HN 0.148 nan 8.370 nan 0.000 0.438 213 T N 0.098 114.540 114.554 -0.186 0.000 2.777 213 T HA -0.135 4.215 4.350 0.000 0.000 0.266 213 T C 0.307 174.573 174.700 -0.723 0.000 1.040 213 T CA 1.197 63.009 62.100 -0.479 0.000 1.141 213 T CB -0.241 68.236 68.868 -0.652 0.000 0.868 213 T HN 0.343 nan 8.240 nan 0.000 0.444 214 Y N 1.865 121.996 120.300 -0.283 0.000 2.478 214 Y HA 0.494 5.044 4.550 0.000 0.000 0.329 214 Y C 0.140 175.841 175.900 -0.333 0.000 0.967 214 Y CA -1.041 56.754 58.100 -0.509 0.000 1.255 214 Y CB 0.529 38.436 38.460 -0.922 0.000 1.103 214 Y HN 0.034 nan 8.280 nan 0.000 0.497 215 Q N 2.967 122.690 119.800 -0.127 0.000 2.357 215 Q HA 0.853 5.193 4.340 0.000 0.000 0.266 215 Q C -1.022 175.050 176.000 0.120 0.000 1.021 215 Q CA -0.862 54.962 55.803 0.035 0.000 0.784 215 Q CB 2.176 30.936 28.738 0.038 0.000 1.243 215 Q HN 0.769 nan 8.270 nan 0.000 0.465 216 A N 3.023 126.016 122.820 0.289 0.000 2.594 216 A HA 0.654 4.975 4.320 0.000 0.000 0.296 216 A C -1.302 176.654 177.584 0.621 0.000 1.061 216 A CA -0.772 51.502 52.037 0.396 0.000 0.689 216 A CB 1.432 20.572 19.000 0.234 0.000 1.280 216 A HN 0.535 nan 8.150 nan 0.000 0.406 217 M N 1.353 121.289 119.600 0.560 0.000 2.409 217 M HA 0.396 4.876 4.480 0.000 0.000 0.329 217 M C -2.525 173.948 176.300 0.289 0.000 1.180 217 M CA -2.504 53.033 55.300 0.395 0.000 1.053 217 M CB 0.551 33.253 32.600 0.169 0.000 1.586 217 M HN 0.286 nan 8.290 nan 0.000 0.461 218 P HA -0.006 nan 4.420 nan 0.000 0.262 218 P C 0.905 177.986 177.300 -0.365 0.000 1.199 218 P CA -0.143 62.643 63.100 -0.523 0.000 0.763 218 P CB 0.270 31.577 31.700 -0.655 0.000 0.790 219 L N 4.685 125.670 121.223 -0.396 0.000 2.034 219 L HA -0.225 4.115 4.340 0.000 0.000 0.217 219 L C 1.373 177.910 176.870 -0.555 0.000 1.077 219 L CA 2.201 56.775 54.840 -0.443 0.000 0.769 219 L CB -0.964 40.761 42.059 -0.556 0.000 0.890 219 L HN 0.510 nan 8.230 nan 0.000 0.435 220 H N -0.947 118.022 119.070 -0.170 0.000 2.486 220 H HA 0.518 5.074 4.556 0.000 0.000 0.284 220 H C 0.858 176.101 175.328 -0.143 0.000 1.103 220 H CA 0.448 56.427 56.048 -0.114 0.000 1.089 220 H CB -0.276 29.433 29.762 -0.089 0.000 1.603 220 H HN 0.384 nan 8.280 nan 0.000 0.557 221 G N -0.020 108.679 108.800 -0.167 0.000 2.662 221 G HA2 -0.256 3.704 3.960 0.000 0.000 0.686 221 G HA3 -0.256 3.704 3.960 0.000 0.000 0.686 221 G C 0.083 174.832 174.900 -0.252 0.000 1.271 221 G CA -0.487 44.479 45.100 -0.223 0.000 0.816 221 G HN 0.255 nan 8.290 nan 0.000 0.608 222 Y N 0.365 120.602 120.300 -0.105 0.000 2.145 222 Y HA -0.120 4.430 4.550 0.000 0.000 0.286 222 Y C 3.433 179.331 175.900 -0.003 0.000 1.145 222 Y CA 2.455 60.504 58.100 -0.084 0.000 1.148 222 Y CB -0.435 38.019 38.460 -0.009 0.000 0.981 222 Y HN 0.655 nan 8.280 nan 0.000 0.507 223 T N 0.200 114.830 114.554 0.126 0.000 2.684 223 T HA -0.183 4.167 4.350 0.000 0.000 0.267 223 T C 1.940 176.685 174.700 0.073 0.000 1.036 223 T CA 1.286 63.447 62.100 0.102 0.000 1.148 223 T CB -0.193 68.596 68.868 -0.133 0.000 0.863 223 T HN 0.227 nan 8.240 nan 0.000 0.436 224 R N 0.735 121.234 120.500 -0.002 0.000 2.105 224 R HA -0.004 4.336 4.340 0.000 0.000 0.239 224 R C 2.442 178.707 176.300 -0.058 0.000 1.135 224 R CA 1.057 57.143 56.100 -0.023 0.000 0.967 224 R CB -0.700 29.585 30.300 -0.026 0.000 0.861 224 R HN 0.462 nan 8.270 nan 0.000 0.442 225 M N -0.298 119.233 119.600 -0.115 0.000 2.175 225 M HA -0.120 4.360 4.480 0.000 0.000 0.264 225 M C 1.572 177.718 176.300 -0.257 0.000 1.063 225 M CA 1.673 56.839 55.300 -0.223 0.000 1.119 225 M CB -0.081 32.304 32.600 -0.358 0.000 1.377 225 M HN -0.014 nan 8.290 nan 0.000 0.415 226 F N 0.777 120.639 119.950 -0.147 0.000 2.206 226 F HA -0.171 4.356 4.527 0.000 0.000 0.298 226 F C 2.531 178.226 175.800 -0.174 0.000 1.090 226 F CA 1.336 59.218 58.000 -0.196 0.000 1.323 226 F CB -0.372 38.518 39.000 -0.184 0.000 1.028 226 F HN 0.239 nan 8.300 nan 0.000 0.492 227 Q N 0.086 119.921 119.800 0.059 0.000 2.135 227 Q HA -0.209 4.132 4.340 0.000 0.000 0.204 227 Q C 1.813 177.783 176.000 -0.049 0.000 0.981 227 Q CA 1.441 57.246 55.803 0.003 0.000 0.856 227 Q CB -0.331 28.411 28.738 0.008 0.000 0.902 227 Q HN 0.397 nan 8.270 nan 0.000 0.425 228 N N 0.763 119.420 118.700 -0.073 0.000 2.106 228 N HA -0.136 4.604 4.740 0.000 0.000 0.188 228 N C 1.631 177.033 175.510 -0.179 0.000 1.029 228 N CA 1.075 54.091 53.050 -0.057 0.000 0.848 228 N CB -0.316 38.190 38.487 0.032 0.000 1.007 228 N HN 0.210 nan 8.380 nan 0.000 0.423 229 M N 0.366 119.693 119.600 -0.455 0.000 2.195 229 M HA -0.094 4.387 4.480 0.000 0.000 0.260 229 M C 0.801 176.868 176.300 -0.387 0.000 1.066 229 M CA 1.414 56.206 55.300 -0.847 0.000 1.089 229 M CB 0.060 32.150 32.600 -0.850 0.000 1.377 229 M HN 0.048 nan 8.290 nan 0.000 0.411 230 L N -0.596 120.513 121.223 -0.191 0.000 2.653 230 L HA 0.123 4.463 4.340 0.000 0.000 0.231 230 L C 1.865 178.694 176.870 -0.067 0.000 1.153 230 L CA -0.010 54.767 54.840 -0.106 0.000 0.933 230 L CB -0.343 41.678 42.059 -0.063 0.000 1.175 230 L HN 0.343 nan 8.230 nan 0.000 0.473 231 S N -2.263 113.397 115.700 -0.066 0.000 2.527 231 S HA -0.025 4.445 4.470 0.000 0.000 0.222 231 S C 1.141 175.734 174.600 -0.012 0.000 0.985 231 S CA -0.209 57.974 58.200 -0.030 0.000 0.921 231 S CB -0.032 63.155 63.200 -0.022 0.000 0.772 231 S HN 0.307 nan 8.310 nan 0.000 0.529 232 S N 3.185 118.878 115.700 -0.012 0.000 2.554 232 S HA 0.103 4.573 4.470 0.000 0.000 0.290 232 S C -1.703 172.909 174.600 0.019 0.000 1.309 232 S CA -0.761 57.444 58.200 0.008 0.000 1.047 232 S CB 0.490 63.697 63.200 0.012 0.000 0.828 232 S HN 0.212 nan 8.310 nan 0.000 0.509 233 P HA 0.109 nan 4.420 nan 0.000 0.237 233 P C 0.174 177.504 177.300 0.051 0.000 1.178 233 P CA 0.422 63.542 63.100 0.033 0.000 0.766 233 P CB 0.045 31.762 31.700 0.028 0.000 0.876 234 N N -0.316 118.418 118.700 0.057 0.000 2.268 234 N HA 0.159 4.899 4.740 0.000 0.000 0.204 234 N C -0.053 175.523 175.510 0.110 0.000 1.124 234 N CA 0.195 53.296 53.050 0.085 0.000 0.838 234 N CB 0.214 38.751 38.487 0.083 0.000 0.994 234 N HN 0.241 nan 8.380 nan 0.000 0.489 235 I N 1.281 121.900 120.570 0.082 0.000 2.476 235 I HA 0.186 4.356 4.170 0.000 0.000 0.281 235 I C -0.563 175.588 176.117 0.058 0.000 1.040 235 I CA -0.833 60.505 61.300 0.062 0.000 1.094 235 I CB 1.313 39.318 38.000 0.009 0.000 1.219 235 I HN -0.403 nan 8.210 nan 0.000 0.450 236 K N 5.900 126.347 120.400 0.078 0.000 2.201 236 K HA 0.517 4.837 4.320 0.000 0.000 0.278 236 K C -0.537 176.034 176.600 -0.048 0.000 1.027 236 K CA -0.639 55.677 56.287 0.048 0.000 0.909 236 K CB 2.261 34.845 32.500 0.139 0.000 1.062 236 K HN 0.236 nan 8.250 nan 0.000 0.465 237 V N 4.183 124.072 119.914 -0.040 0.000 2.427 237 V HA 0.415 4.535 4.120 0.000 0.000 0.286 237 V C -0.038 176.012 176.094 -0.075 0.000 1.034 237 V CA -0.738 61.519 62.300 -0.072 0.000 0.893 237 V CB 1.353 33.142 31.823 -0.057 0.000 0.982 237 V HN 0.730 nan 8.190 nan 0.000 0.452 238 M N 6.384 125.920 119.600 -0.106 0.000 2.142 238 M HA 0.590 5.070 4.480 0.000 0.000 0.299 238 M C -1.638 174.599 176.300 -0.105 0.000 0.960 238 M CA -0.248 54.995 55.300 -0.095 0.000 0.920 238 M CB 1.122 33.654 32.600 -0.113 0.000 1.541 238 M HN 0.523 nan 8.290 nan 0.000 0.429 239 L N 3.105 124.275 121.223 -0.088 0.000 2.304 239 L HA 0.530 4.870 4.340 0.000 0.000 0.268 239 L C 0.646 177.462 176.870 -0.090 0.000 1.010 239 L CA -0.928 53.848 54.840 -0.106 0.000 0.813 239 L CB 1.469 43.469 42.059 -0.097 0.000 1.315 239 L HN 0.929 nan 8.230 nan 0.000 0.445 240 N N -0.031 118.604 118.700 -0.109 0.000 2.721 240 N HA -0.168 4.572 4.740 0.000 0.000 0.249 240 N C -1.170 174.301 175.510 -0.065 0.000 1.072 240 N CA 1.037 54.037 53.050 -0.083 0.000 0.710 240 N CB -0.510 37.943 38.487 -0.057 0.000 0.993 240 N HN 0.755 nan 8.380 nan 0.000 0.547 241 T N -0.034 114.474 114.554 -0.077 0.000 3.031 241 T HA 0.123 4.473 4.350 0.000 0.000 0.305 241 T C -1.161 173.507 174.700 -0.054 0.000 0.985 241 T CA -0.796 61.267 62.100 -0.062 0.000 1.008 241 T CB 1.544 70.372 68.868 -0.067 0.000 1.005 241 T HN 0.111 nan 8.240 nan 0.000 0.444 242 D N 1.825 122.200 120.400 -0.040 0.000 2.351 242 D HA 0.063 4.703 4.640 0.000 0.000 0.251 242 D C 1.284 177.566 176.300 -0.031 0.000 1.137 242 D CA -0.373 53.623 54.000 -0.007 0.000 0.879 242 D CB 0.791 41.565 40.800 -0.042 0.000 1.181 242 D HN 0.730 nan 8.370 nan 0.000 0.448 243 Y N 3.632 123.876 120.300 -0.093 0.000 2.193 243 Y HA -0.212 4.339 4.550 0.001 0.000 0.285 243 Y C 2.027 177.851 175.900 -0.125 0.000 1.166 243 Y CA 0.971 58.994 58.100 -0.128 0.000 1.181 243 Y CB -0.286 38.117 38.460 -0.094 0.000 0.976 243 Y HN 0.298 nan 8.280 nan 0.000 0.520 244 R N 0.783 120.724 120.500 -0.932 0.000 2.159 244 R HA -0.147 4.193 4.340 0.000 0.000 0.237 244 R C 1.990 178.083 176.300 -0.344 0.000 1.131 244 R CA 1.663 57.322 56.100 -0.736 0.000 0.982 244 R CB -0.343 29.529 30.300 -0.713 0.000 0.868 244 R HN 0.598 nan 8.270 nan 0.000 0.453 245 E N 0.234 120.288 120.200 -0.244 0.000 2.268 245 E HA -0.157 4.193 4.350 0.000 0.000 0.195 245 E C 1.212 177.703 176.600 -0.182 0.000 0.995 245 E CA 1.169 57.492 56.400 -0.128 0.000 0.836 245 E CB 0.177 29.837 29.700 -0.067 0.000 0.763 245 E HN 0.419 nan 8.360 nan 0.000 0.491 246 I N -5.141 115.210 120.570 -0.364 0.000 4.655 246 I HA 0.354 4.525 4.170 0.000 0.000 0.333 246 I C 1.731 177.412 176.117 -0.727 0.000 1.312 246 I CA -0.013 60.800 61.300 -0.812 0.000 1.270 246 I CB 0.090 37.789 38.000 -0.503 0.000 1.318 246 I HN -0.160 nan 8.210 nan 0.000 0.456 247 A N 1.496 124.119 122.820 -0.328 0.000 1.917 247 A HA -0.225 4.095 4.320 0.000 0.000 0.219 247 A C 1.927 179.523 177.584 0.020 0.000 1.182 247 A CA 2.452 54.469 52.037 -0.033 0.000 0.633 247 A CB -0.999 18.043 19.000 0.070 0.000 0.819 247 A HN 0.501 nan 8.150 nan 0.000 0.448 248 D N -0.690 119.645 120.400 -0.109 0.000 2.190 248 D HA -0.167 4.473 4.640 0.000 0.000 0.200 248 D C 1.306 177.657 176.300 0.085 0.000 0.992 248 D CA 1.897 55.897 54.000 -0.001 0.000 0.854 248 D CB -0.301 40.534 40.800 0.057 0.000 0.936 248 D HN 0.762 nan 8.370 nan 0.000 0.462 249 F N -1.375 118.627 119.950 0.087 0.000 2.706 249 F HA 0.400 4.927 4.527 0.000 0.000 0.313 249 F C 0.342 176.217 175.800 0.125 0.000 1.096 249 F CA -0.689 57.359 58.000 0.080 0.000 1.219 249 F CB -0.027 39.004 39.000 0.051 0.000 1.051 249 F HN -0.301 nan 8.300 nan 0.000 0.568 250 I N 3.250 123.873 120.570 0.087 0.000 2.362 250 I HA 0.398 4.568 4.170 0.000 0.000 0.289 250 I C -2.465 173.874 176.117 0.370 0.000 0.994 250 I CA -2.396 59.056 61.300 0.253 0.000 1.158 250 I CB 1.508 39.629 38.000 0.201 0.000 1.315 250 I HN -0.217 nan 8.210 nan 0.000 0.451 251 P HA 0.194 nan 4.420 nan 0.000 0.271 251 P C -1.180 176.340 177.300 0.367 0.000 1.220 251 P CA 0.165 63.368 63.100 0.172 0.000 0.768 251 P CB 0.159 31.920 31.700 0.101 0.000 0.848 252 F N -0.331 119.679 119.950 0.100 0.000 2.635 252 F HA 0.381 4.908 4.527 0.000 0.000 0.314 252 F C 0.670 176.491 175.800 0.034 0.000 1.119 252 F CA -0.893 57.165 58.000 0.097 0.000 1.000 252 F CB 1.038 40.100 39.000 0.104 0.000 1.278 252 F HN 0.056 nan 8.300 nan 0.000 0.446 253 Q N 0.825 120.678 119.800 0.089 0.000 2.389 253 Q HA 0.073 4.413 4.340 0.000 0.000 0.204 253 Q C -0.369 175.688 176.000 0.095 0.000 0.944 253 Q CA 0.987 56.787 55.803 -0.006 0.000 0.908 253 Q CB 0.139 28.841 28.738 -0.060 0.000 1.002 253 Q HN 0.852 nan 8.270 nan 0.000 0.493 254 H N -1.022 118.079 119.070 0.051 0.000 3.037 254 H HA 0.558 5.115 4.556 0.000 0.000 0.355 254 H C -1.713 173.809 175.328 0.324 0.000 1.263 254 H CA -0.601 55.519 56.048 0.120 0.000 1.129 254 H CB 1.723 31.446 29.762 -0.065 0.000 1.861 254 H HN -0.019 nan 8.280 nan 0.000 0.546 255 M N 4.837 124.345 119.600 -0.153 0.000 2.326 255 M HA 0.505 4.985 4.480 0.000 0.000 0.306 255 M C -1.698 174.500 176.300 -0.170 0.000 1.054 255 M CA -0.645 54.606 55.300 -0.082 0.000 0.922 255 M CB 1.124 33.694 32.600 -0.050 0.000 1.632 255 M HN 0.510 nan 8.290 nan 0.000 0.436 256 I N 5.167 125.690 120.570 -0.078 0.000 2.330 256 I HA 0.262 4.433 4.170 0.000 0.000 0.289 256 I C -1.515 174.456 176.117 -0.243 0.000 1.001 256 I CA -0.723 60.499 61.300 -0.131 0.000 1.193 256 I CB 1.108 39.073 38.000 -0.059 0.000 1.345 256 I HN 0.684 nan 8.210 nan 0.000 0.461 257 Y N 5.812 125.789 120.300 -0.538 0.000 2.377 257 Y HA 0.348 4.898 4.550 0.000 0.000 0.339 257 Y C 0.884 176.556 175.900 -0.379 0.000 1.011 257 Y CA -0.382 57.357 58.100 -0.603 0.000 1.093 257 Y CB 1.748 39.576 38.460 -1.053 0.000 1.201 257 Y HN 0.616 nan 8.280 nan 0.000 0.455 258 T N 0.883 114.839 114.554 -0.997 0.000 3.192 258 T HA 0.382 4.732 4.350 0.000 0.000 0.295 258 T C 0.595 174.929 174.700 -0.611 0.000 0.947 258 T CA 0.172 61.943 62.100 -0.549 0.000 0.916 258 T CB -0.490 68.192 68.868 -0.309 0.000 1.169 258 T HN 0.772 nan 8.240 nan 0.000 0.540 259 G N 2.206 110.250 108.800 -1.261 0.000 2.535 259 G HA2 0.578 4.539 3.960 0.000 0.000 0.282 259 G HA3 0.578 4.539 3.960 0.000 0.000 0.282 259 G C -2.839 172.045 174.900 -0.026 0.000 1.350 259 G CA -1.696 43.046 45.100 -0.596 0.000 1.039 259 G HN 0.189 nan 8.290 nan 0.000 0.509 260 P HA 0.131 nan 4.420 nan 0.000 0.271 260 P C 1.218 178.708 177.300 0.318 0.000 1.226 260 P CA -0.380 62.865 63.100 0.242 0.000 0.765 260 P CB 1.071 32.857 31.700 0.144 0.000 0.835 261 V N 2.578 122.664 119.914 0.287 0.000 2.332 261 V HA -0.282 3.838 4.120 0.000 0.000 0.248 261 V C 1.945 177.938 176.094 -0.169 0.000 1.055 261 V CA 2.356 64.755 62.300 0.165 0.000 1.038 261 V CB -1.454 30.481 31.823 0.185 0.000 0.651 261 V HN 0.491 nan 8.190 nan 0.000 0.450 262 D N 2.207 122.308 120.400 -0.498 0.000 2.117 262 D HA -0.158 4.483 4.640 0.000 0.000 0.197 262 D C 2.072 177.839 176.300 -0.888 0.000 0.987 262 D CA 1.869 55.253 54.000 -1.026 0.000 0.829 262 D CB -0.586 39.775 40.800 -0.733 0.000 0.961 262 D HN 0.468 nan 8.370 nan 0.000 0.460 263 A N 0.337 122.674 122.820 -0.804 0.000 1.908 263 A HA -0.128 4.192 4.320 0.000 0.000 0.218 263 A C 2.187 179.501 177.584 -0.449 0.000 1.181 263 A CA 1.448 52.934 52.037 -0.920 0.000 0.627 263 A CB -1.432 17.454 19.000 -0.191 0.000 0.818 263 A HN 0.281 nan 8.150 nan 0.000 0.445 264 F N -0.843 118.846 119.950 -0.436 0.000 2.202 264 F HA -0.110 4.417 4.527 0.001 0.000 0.301 264 F C 1.027 176.454 175.800 -0.621 0.000 1.082 264 F CA 1.309 58.954 58.000 -0.592 0.000 1.313 264 F CB -0.089 38.331 39.000 -0.967 0.000 1.024 264 F HN 0.193 nan 8.300 nan 0.000 0.495 265 F N 0.439 120.337 119.950 -0.087 0.000 2.750 265 F HA 0.184 4.711 4.527 0.000 0.000 0.297 265 F C 0.503 176.225 175.800 -0.129 0.000 1.138 265 F CA -0.385 57.578 58.000 -0.061 0.000 1.346 265 F CB -0.366 38.691 39.000 0.095 0.000 0.965 265 F HN -0.141 nan 8.300 nan 0.000 0.514 266 D N -0.096 120.223 120.400 -0.135 0.000 2.911 266 D HA -0.289 4.352 4.640 0.000 0.000 0.227 266 D C 0.132 176.562 176.300 0.217 0.000 1.164 266 D CA 1.066 55.068 54.000 0.003 0.000 0.782 266 D CB -1.589 39.245 40.800 0.058 0.000 1.094 266 D HN 0.441 nan 8.370 nan 0.000 0.425 267 F N -3.185 116.856 119.950 0.151 0.000 3.058 267 F HA -0.360 4.167 4.527 0.000 0.000 0.295 267 F C 2.216 178.135 175.800 0.199 0.000 0.875 267 F CA 0.541 58.665 58.000 0.206 0.000 1.150 267 F CB -2.715 36.367 39.000 0.135 0.000 1.175 267 F HN 0.388 nan 8.300 nan 0.000 0.599 268 C N -2.281 117.143 119.300 0.206 0.000 2.460 268 C HA -0.033 4.427 4.460 0.000 0.000 0.291 268 C C 1.511 176.399 174.990 -0.171 0.000 1.493 268 C CA 0.720 59.690 59.018 -0.080 0.000 1.748 268 C CB -1.431 26.117 27.740 -0.320 0.000 1.656 268 C HN 0.556 nan 8.230 nan 0.000 0.576 269 Y N 1.098 121.513 120.300 0.192 0.000 2.728 269 Y HA 0.475 5.025 4.550 0.000 0.000 0.256 269 Y C 1.230 177.218 175.900 0.147 0.000 1.112 269 Y CA -0.153 57.956 58.100 0.014 0.000 1.240 269 Y CB -0.186 38.033 38.460 -0.401 0.000 1.337 269 Y HN 0.582 nan 8.280 nan 0.000 0.559 270 G N 1.254 110.301 108.800 0.412 0.000 2.699 270 G HA2 -0.158 3.803 3.960 0.000 0.000 0.686 270 G HA3 -0.158 3.803 3.960 0.000 0.000 0.686 270 G C -0.713 174.471 174.900 0.473 0.000 1.301 270 G CA -1.121 44.190 45.100 0.352 0.000 0.816 270 G HN 0.018 nan 8.290 nan 0.000 0.595 271 K N 0.019 120.640 120.400 0.367 0.000 2.298 271 K HA 0.365 4.685 4.320 0.000 0.000 0.280 271 K C 0.635 177.428 176.600 0.322 0.000 1.032 271 K CA -0.446 56.088 56.287 0.411 0.000 0.958 271 K CB 1.231 33.897 32.500 0.276 0.000 0.978 271 K HN 0.405 nan 8.250 nan 0.000 0.472 272 L N 5.228 126.629 121.223 0.297 0.000 2.433 272 L HA 0.096 4.436 4.340 0.000 0.000 0.275 272 L C -2.025 175.026 176.870 0.303 0.000 1.128 272 L CA -1.816 53.109 54.840 0.143 0.000 0.875 272 L CB 0.086 42.059 42.059 -0.143 0.000 1.171 272 L HN 0.280 nan 8.230 nan 0.000 0.463 273 P HA 0.066 nan 4.420 nan 0.000 0.264 273 P C -1.288 176.188 177.300 0.293 0.000 1.193 273 P CA 0.412 63.680 63.100 0.280 0.000 0.763 273 P CB 0.300 32.129 31.700 0.215 0.000 0.810 274 Y N 1.679 122.151 120.300 0.287 0.000 2.633 274 Y HA 0.659 5.209 4.550 0.000 0.000 0.339 274 Y C 0.604 176.654 175.900 0.249 0.000 1.045 274 Y CA -0.875 57.398 58.100 0.289 0.000 1.098 274 Y CB 2.087 40.684 38.460 0.229 0.000 1.296 274 Y HN 0.134 nan 8.280 nan 0.000 0.494 275 R N 0.480 121.272 120.500 0.487 0.000 2.670 275 R HA 0.691 5.031 4.340 0.000 0.000 0.289 275 R C -1.028 175.439 176.300 0.279 0.000 0.965 275 R CA -0.344 55.971 56.100 0.358 0.000 0.899 275 R CB 1.962 32.508 30.300 0.410 0.000 1.173 275 R HN 0.658 nan 8.270 nan 0.000 0.456 276 S N 2.431 118.227 115.700 0.160 0.000 2.798 276 S HA 0.741 5.212 4.470 0.000 0.000 0.312 276 S C -1.253 173.419 174.600 0.120 0.000 1.122 276 S CA -0.678 57.563 58.200 0.069 0.000 0.949 276 S CB 0.678 63.860 63.200 -0.030 0.000 1.235 276 S HN 0.437 nan 8.310 nan 0.000 0.552 277 L N 1.267 122.578 121.223 0.147 0.000 2.409 277 L HA 0.584 4.924 4.340 0.000 0.000 0.262 277 L C -0.570 176.191 176.870 -0.181 0.000 0.992 277 L CA -0.526 54.285 54.840 -0.049 0.000 0.817 277 L CB 2.110 44.020 42.059 -0.248 0.000 1.350 277 L HN 0.609 nan 8.230 nan 0.000 0.411 278 E N 1.571 121.634 120.200 -0.228 0.000 2.195 278 E HA 0.532 4.882 4.350 0.000 0.000 0.271 278 E C -1.825 174.626 176.600 -0.248 0.000 0.923 278 E CA -0.611 55.691 56.400 -0.162 0.000 0.790 278 E CB 1.841 31.526 29.700 -0.025 0.000 1.155 278 E HN 0.326 nan 8.360 nan 0.000 0.402 279 F N 2.329 122.415 119.950 0.227 0.000 2.467 279 F HA 0.411 4.938 4.527 0.000 0.000 0.336 279 F C 0.492 176.380 175.800 0.147 0.000 1.123 279 F CA -0.913 57.180 58.000 0.156 0.000 0.964 279 F CB 1.617 40.668 39.000 0.085 0.000 1.136 279 F HN 0.202 nan 8.300 nan 0.000 0.447 280 R N 3.922 124.628 120.500 0.342 0.000 2.275 280 R HA 0.308 4.648 4.340 0.000 0.000 0.326 280 R C -0.904 175.506 176.300 0.184 0.000 0.973 280 R CA -0.494 55.774 56.100 0.279 0.000 0.854 280 R CB 0.356 30.853 30.300 0.328 0.000 1.156 280 R HN 0.709 nan 8.270 nan 0.000 0.487 281 H N 2.642 121.851 119.070 0.232 0.000 2.481 281 H HA 0.291 4.847 4.556 0.000 0.000 0.339 281 H C -0.514 174.905 175.328 0.152 0.000 1.131 281 H CA -0.179 55.978 56.048 0.182 0.000 1.301 281 H CB 1.874 31.713 29.762 0.129 0.000 1.476 281 H HN 0.581 nan 8.280 nan 0.000 0.529 282 E N 0.403 120.761 120.200 0.262 0.000 2.366 282 E HA 0.278 4.628 4.350 0.000 0.000 0.278 282 E C -1.173 175.507 176.600 0.133 0.000 0.923 282 E CA -0.677 55.820 56.400 0.163 0.000 0.761 282 E CB 2.335 32.161 29.700 0.211 0.000 1.231 282 E HN 0.428 nan 8.360 nan 0.000 0.443 283 T N 1.798 116.353 114.554 0.001 0.000 2.792 283 T HA 0.445 4.795 4.350 0.000 0.000 0.280 283 T C -1.161 173.481 174.700 -0.096 0.000 0.990 283 T CA -0.651 61.454 62.100 0.009 0.000 0.960 283 T CB 0.503 69.358 68.868 -0.021 0.000 0.939 283 T HN 0.311 nan 8.240 nan 0.000 0.439 284 H N 0.816 119.890 119.070 0.006 0.000 2.573 284 H HA 0.387 4.943 4.556 0.000 0.000 0.351 284 H C -0.097 175.236 175.328 0.009 0.000 1.163 284 H CA -0.845 55.212 56.048 0.015 0.000 1.205 284 H CB 1.184 30.959 29.762 0.022 0.000 1.605 284 H HN 0.462 nan 8.280 nan 0.000 0.525 285 D N 1.000 121.475 120.400 0.125 0.000 3.060 285 D HA 0.078 4.719 4.640 0.000 0.000 0.245 285 D C -0.455 175.902 176.300 0.095 0.000 1.274 285 D CA 0.111 54.161 54.000 0.084 0.000 0.864 285 D CB -0.135 40.704 40.800 0.064 0.000 1.073 285 D HN 0.449 nan 8.370 nan 0.000 0.473 286 T N -1.622 112.993 114.554 0.102 0.000 2.883 286 T HA 0.238 4.588 4.350 0.000 0.000 0.296 286 T C 0.881 175.623 174.700 0.070 0.000 1.117 286 T CA -0.519 61.629 62.100 0.079 0.000 1.006 286 T CB 1.501 70.408 68.868 0.065 0.000 1.191 286 T HN -0.011 nan 8.240 nan 0.000 0.508 287 E N 0.415 120.651 120.200 0.059 0.000 2.107 287 E HA 0.008 4.358 4.350 0.000 0.000 0.191 287 E C 0.548 177.160 176.600 0.021 0.000 0.982 287 E CA 0.576 57.006 56.400 0.051 0.000 0.809 287 E CB 0.295 30.020 29.700 0.042 0.000 0.756 287 E HN 0.485 nan 8.360 nan 0.000 0.459 288 Q N 0.286 120.095 119.800 0.016 0.000 2.268 288 Q HA 0.136 4.476 4.340 0.000 0.000 0.266 288 Q C -0.530 175.478 176.000 0.012 0.000 1.006 288 Q CA -0.252 55.557 55.803 0.011 0.000 0.824 288 Q CB 1.652 30.391 28.738 0.000 0.000 1.306 288 Q HN 0.053 nan 8.270 nan 0.000 0.424 289 L N 3.868 125.089 121.223 -0.003 0.000 2.286 289 L HA 0.389 4.729 4.340 0.000 0.000 0.203 289 L C -0.345 176.499 176.870 -0.043 0.000 1.068 289 L CA 1.198 55.994 54.840 -0.073 0.000 0.811 289 L CB 0.540 42.481 42.059 -0.196 0.000 0.989 289 L HN 0.618 nan 8.230 nan 0.000 0.467 290 L N -0.526 120.699 121.223 0.004 0.000 2.323 290 L HA 0.416 4.756 4.340 0.000 0.000 0.265 290 L C -1.611 175.254 176.870 -0.008 0.000 1.012 290 L CA -1.681 53.128 54.840 -0.053 0.000 0.820 290 L CB 1.149 43.106 42.059 -0.169 0.000 1.334 290 L HN -0.239 nan 8.230 nan 0.000 0.427 291 P HA -0.011 nan 4.420 nan 0.000 0.222 291 P C 0.237 177.470 177.300 -0.111 0.000 1.153 291 P CA 0.869 63.950 63.100 -0.031 0.000 0.798 291 P CB 0.200 31.871 31.700 -0.047 0.000 0.796 292 T N -4.573 109.762 114.554 -0.364 0.000 2.693 292 T HA 0.560 4.910 4.350 0.000 0.000 0.278 292 T C 1.483 175.666 174.700 -0.862 0.000 0.994 292 T CA -0.145 61.659 62.100 -0.494 0.000 1.033 292 T CB 0.754 69.433 68.868 -0.316 0.000 1.342 292 T HN -0.092 nan 8.240 nan 0.000 0.538 293 G N 0.367 108.871 108.800 -0.494 0.000 2.421 293 G HA2 0.200 4.160 3.960 0.000 0.000 0.216 293 G HA3 0.200 4.160 3.960 0.000 0.000 0.216 293 G C 0.297 175.080 174.900 -0.195 0.000 1.171 293 G CA 0.777 45.757 45.100 -0.199 0.000 0.775 293 G HN 0.807 nan 8.290 nan 0.000 0.543 294 T N -0.341 114.061 114.554 -0.253 0.000 2.886 294 T HA 0.540 4.890 4.350 0.000 0.000 0.292 294 T C -1.051 173.490 174.700 -0.265 0.000 1.012 294 T CA -0.467 61.504 62.100 -0.216 0.000 0.982 294 T CB 2.813 71.610 68.868 -0.119 0.000 1.018 294 T HN -0.047 nan 8.240 nan 0.000 0.451 295 V N 3.738 123.522 119.914 -0.217 0.000 2.459 295 V HA 0.461 4.581 4.120 0.000 0.000 0.295 295 V C -0.261 175.696 176.094 -0.228 0.000 1.029 295 V CA -0.952 61.198 62.300 -0.251 0.000 0.874 295 V CB 1.725 33.399 31.823 -0.248 0.000 0.985 295 V HN 0.740 nan 8.190 nan 0.000 0.438 296 N N 2.670 121.201 118.700 -0.282 0.000 2.473 296 N HA 0.474 5.214 4.740 0.000 0.000 0.291 296 N C -1.209 174.125 175.510 -0.293 0.000 1.083 296 N CA -0.241 52.729 53.050 -0.134 0.000 0.951 296 N CB 1.053 39.445 38.487 -0.158 0.000 1.164 296 N HN 0.551 nan 8.380 nan 0.000 0.480 297 Y N 1.769 122.182 120.300 0.188 0.000 2.842 297 Y HA 0.307 4.857 4.550 0.000 0.000 0.334 297 Y C -1.481 174.512 175.900 0.156 0.000 1.019 297 Y CA -1.705 56.481 58.100 0.143 0.000 1.258 297 Y CB 1.536 40.084 38.460 0.147 0.000 1.106 297 Y HN 0.558 nan 8.280 nan 0.000 0.545 298 P HA -0.083 nan 4.420 nan 0.000 0.217 298 P C 0.482 177.819 177.300 0.061 0.000 1.151 298 P CA 1.537 64.737 63.100 0.166 0.000 0.828 298 P CB 0.580 32.259 31.700 -0.036 0.000 0.788 299 N N -1.602 117.114 118.700 0.028 0.000 2.166 299 N HA 0.090 4.830 4.740 0.000 0.000 0.213 299 N C -0.149 175.325 175.510 -0.061 0.000 1.222 299 N CA 0.275 53.306 53.050 -0.032 0.000 0.900 299 N CB 0.958 39.400 38.487 -0.074 0.000 1.055 299 N HN 0.210 nan 8.380 nan 0.000 0.515 300 D N 0.076 120.460 120.400 -0.026 0.000 2.477 300 D HA 0.362 5.002 4.640 0.000 0.000 0.234 300 D C -0.417 175.711 176.300 -0.287 0.000 1.048 300 D CA -0.253 53.600 54.000 -0.245 0.000 0.959 300 D CB 1.819 42.413 40.800 -0.343 0.000 1.408 300 D HN -0.166 nan 8.370 nan 0.000 0.496 301 Y N -0.772 119.320 120.300 -0.347 0.000 2.505 301 Y HA -0.248 4.302 4.550 0.000 0.000 0.021 301 Y C 1.090 176.697 175.900 -0.488 0.000 1.700 301 Y CA 0.100 57.833 58.100 -0.612 0.000 1.420 301 Y CB -1.028 36.590 38.460 -1.402 0.000 2.065 301 Y HN 0.525 nan 8.280 nan 0.000 0.254 302 A N 0.963 123.646 122.820 -0.229 0.000 1.930 302 A HA 0.045 4.365 4.320 0.000 0.000 0.215 302 A C 0.419 177.940 177.584 -0.105 0.000 1.176 302 A CA 1.356 53.372 52.037 -0.034 0.000 0.632 302 A CB -0.726 18.418 19.000 0.240 0.000 0.819 302 A HN 0.674 nan 8.150 nan 0.000 0.445 303 Y N -0.798 119.362 120.300 -0.234 0.000 2.397 303 Y HA 0.405 4.955 4.550 0.000 0.000 0.335 303 Y C 1.524 177.329 175.900 -0.160 0.000 1.213 303 Y CA -0.168 57.647 58.100 -0.475 0.000 1.391 303 Y CB -0.214 37.783 38.460 -0.772 0.000 1.293 303 Y HN 0.067 nan 8.280 nan 0.000 0.557 304 T N -0.402 114.162 114.554 0.016 0.000 2.937 304 T HA 0.156 4.506 4.350 0.000 0.000 0.260 304 T C 0.246 175.127 174.700 0.301 0.000 1.051 304 T CA 0.613 62.712 62.100 -0.001 0.000 1.141 304 T CB -0.219 68.489 68.868 -0.266 0.000 0.879 304 T HN 0.821 nan 8.240 nan 0.000 0.459 305 R N -0.083 120.593 120.500 0.294 0.000 2.692 305 R HA 0.672 5.012 4.340 0.000 0.000 0.269 305 R C -2.098 174.261 176.300 0.099 0.000 1.030 305 R CA -1.159 55.120 56.100 0.298 0.000 0.882 305 R CB 1.546 31.947 30.300 0.168 0.000 1.250 305 R HN 0.024 nan 8.270 nan 0.000 0.465 306 V N 0.255 120.160 119.914 -0.015 0.000 2.581 306 V HA 0.662 4.782 4.120 0.000 0.000 0.303 306 V C -0.255 175.638 176.094 -0.336 0.000 1.041 306 V CA -0.820 61.229 62.300 -0.419 0.000 0.907 306 V CB 1.721 33.169 31.823 -0.625 0.000 0.994 306 V HN 0.813 nan 8.190 nan 0.000 0.442 307 S N 2.078 117.513 115.700 -0.441 0.000 2.542 307 S HA 0.567 5.038 4.470 0.000 0.000 0.293 307 S C -0.729 173.532 174.600 -0.564 0.000 1.089 307 S CA -0.657 57.278 58.200 -0.441 0.000 0.961 307 S CB 1.925 64.853 63.200 -0.453 0.000 1.062 307 S HN 0.896 nan 8.310 nan 0.000 0.483 308 E N 1.717 121.663 120.200 -0.424 0.000 2.145 308 E HA 0.344 4.695 4.350 0.000 0.000 0.262 308 E C -0.348 176.111 176.600 -0.235 0.000 0.883 308 E CA -0.439 55.787 56.400 -0.291 0.000 0.748 308 E CB 0.498 30.170 29.700 -0.046 0.000 1.140 308 E HN 0.600 nan 8.360 nan 0.000 0.417 309 F N 3.255 123.157 119.950 -0.079 0.000 2.171 309 F HA -0.149 4.379 4.527 0.000 0.000 0.300 309 F C 2.099 177.822 175.800 -0.127 0.000 1.090 309 F CA 0.955 58.860 58.000 -0.157 0.000 1.293 309 F CB 0.036 38.886 39.000 -0.251 0.000 1.013 309 F HN 0.457 nan 8.300 nan 0.000 0.486 310 K N -0.539 119.902 120.400 0.068 0.000 2.152 310 K HA -0.204 4.117 4.320 0.000 0.000 0.206 310 K C 1.793 178.356 176.600 -0.061 0.000 1.048 310 K CA 1.319 57.596 56.287 -0.018 0.000 0.933 310 K CB -0.398 32.073 32.500 -0.049 0.000 0.721 310 K HN 0.403 nan 8.250 nan 0.000 0.447 311 H N -0.048 118.992 119.070 -0.051 0.000 2.457 311 H HA -0.095 4.461 4.556 0.000 0.000 0.297 311 H C 1.948 177.140 175.328 -0.228 0.000 1.092 311 H CA 1.312 57.338 56.048 -0.037 0.000 1.309 311 H CB 0.135 29.924 29.762 0.045 0.000 1.382 311 H HN 0.229 nan 8.280 nan 0.000 0.535 312 I N -0.178 120.281 120.570 -0.186 0.000 2.899 312 I HA -0.133 4.037 4.170 0.000 0.000 0.257 312 I C 2.671 178.546 176.117 -0.404 0.000 1.115 312 I CA 1.046 62.010 61.300 -0.559 0.000 1.451 312 I CB -0.113 37.804 38.000 -0.138 0.000 1.251 312 I HN 0.167 nan 8.210 nan 0.000 0.456 313 T N -1.412 113.041 114.554 -0.167 0.000 2.951 313 T HA 0.048 4.398 4.350 0.000 0.000 0.268 313 T C 1.738 176.373 174.700 -0.109 0.000 1.073 313 T CA 1.027 63.058 62.100 -0.116 0.000 1.134 313 T CB -0.108 68.702 68.868 -0.098 0.000 0.884 313 T HN 0.556 nan 8.240 nan 0.000 0.479 314 G N 0.801 109.536 108.800 -0.109 0.000 2.176 314 G HA2 -0.302 3.658 3.960 0.000 0.000 0.253 314 G HA3 -0.302 3.658 3.960 0.000 0.000 0.253 314 G C -0.048 174.835 174.900 -0.029 0.000 0.979 314 G CA 0.289 45.351 45.100 -0.063 0.000 0.641 314 G HN 0.938 nan 8.290 nan 0.000 0.530 315 Q N 0.468 120.257 119.800 -0.020 0.000 2.349 315 Q HA 0.311 4.651 4.340 0.000 0.000 0.287 315 Q C 0.580 176.613 176.000 0.055 0.000 1.044 315 Q CA -0.084 55.739 55.803 0.033 0.000 0.918 315 Q CB 0.343 29.110 28.738 0.049 0.000 1.242 315 Q HN 0.536 nan 8.270 nan 0.000 0.405 316 R N 3.049 123.602 120.500 0.088 0.000 2.346 316 R HA 0.299 4.639 4.340 0.000 0.000 0.311 316 R C -1.334 175.075 176.300 0.181 0.000 0.983 316 R CA -0.342 55.816 56.100 0.096 0.000 0.880 316 R CB 0.846 31.180 30.300 0.058 0.000 1.100 316 R HN 0.744 nan 8.270 nan 0.000 0.453 317 H N 2.123 121.234 119.070 0.068 0.000 3.094 317 H HA 0.052 4.608 4.556 0.000 0.000 0.346 317 H C -0.116 175.292 175.328 0.133 0.000 1.238 317 H CA -0.341 55.778 56.048 0.119 0.000 1.209 317 H CB 1.173 30.962 29.762 0.045 0.000 1.911 317 H HN 0.964 nan 8.280 nan 0.000 0.540 318 H N 0.356 119.413 119.070 -0.023 0.000 2.495 318 H HA 0.157 4.713 4.556 0.000 0.000 0.287 318 H C 0.118 175.556 175.328 0.184 0.000 1.033 318 H CA 0.198 56.279 56.048 0.054 0.000 1.307 318 H CB 0.848 30.592 29.762 -0.029 0.000 1.401 318 H HN 0.343 nan 8.280 nan 0.000 0.555 319 Q N 0.420 120.331 119.800 0.186 0.000 2.814 319 Q HA 0.480 4.820 4.340 0.000 0.000 0.283 319 Q C -0.795 175.227 176.000 0.037 0.000 1.071 319 Q CA -1.037 54.809 55.803 0.073 0.000 0.849 319 Q CB 2.265 30.973 28.738 -0.049 0.000 1.437 319 Q HN 0.161 nan 8.270 nan 0.000 0.492 320 T N -0.140 114.409 114.554 -0.009 0.000 2.993 320 T HA 0.412 4.763 4.350 0.000 0.000 0.312 320 T C -1.464 173.246 174.700 0.017 0.000 1.115 320 T CA -0.361 61.726 62.100 -0.023 0.000 1.027 320 T CB 1.582 70.459 68.868 0.015 0.000 1.116 320 T HN 0.450 nan 8.240 nan 0.000 0.464 321 S N 2.233 117.941 115.700 0.014 0.000 2.475 321 S HA 0.790 5.260 4.470 0.000 0.000 0.298 321 S C -0.076 174.605 174.600 0.134 0.000 1.119 321 S CA -0.654 57.608 58.200 0.102 0.000 1.085 321 S CB 1.323 64.577 63.200 0.089 0.000 1.028 321 S HN 0.878 nan 8.310 nan 0.000 0.489 322 V N 0.704 120.683 119.914 0.109 0.000 3.126 322 V HA 0.954 5.074 4.120 0.000 0.000 0.314 322 V C -0.707 175.338 176.094 -0.081 0.000 1.138 322 V CA -0.786 61.450 62.300 -0.106 0.000 1.034 322 V CB 1.797 33.481 31.823 -0.232 0.000 1.075 322 V HN 0.589 nan 8.190 nan 0.000 0.442 323 V N 2.025 121.736 119.914 -0.338 0.000 2.686 323 V HA 0.642 4.762 4.120 0.000 0.000 0.306 323 V C -1.736 174.128 176.094 -0.384 0.000 1.065 323 V CA -0.381 61.743 62.300 -0.293 0.000 0.894 323 V CB 1.909 33.565 31.823 -0.279 0.000 1.004 323 V HN 0.880 nan 8.190 nan 0.000 0.424 324 Y N 4.046 124.243 120.300 -0.171 0.000 2.328 324 Y HA 0.530 5.080 4.550 0.000 0.000 0.337 324 Y C 0.593 176.428 175.900 -0.109 0.000 1.008 324 Y CA -0.343 57.584 58.100 -0.288 0.000 1.129 324 Y CB 1.541 39.696 38.460 -0.509 0.000 1.185 324 Y HN 0.589 nan 8.280 nan 0.000 0.476 325 E N 3.606 123.812 120.200 0.010 0.000 2.146 325 E HA 0.261 4.611 4.350 0.000 0.000 0.282 325 E C -1.577 174.982 176.600 -0.069 0.000 0.989 325 E CA -0.604 55.839 56.400 0.071 0.000 0.799 325 E CB 0.901 30.691 29.700 0.150 0.000 1.088 325 E HN 0.484 nan 8.360 nan 0.000 0.397 326 Y N 2.892 123.195 120.300 0.005 0.000 2.328 326 Y HA 0.284 4.834 4.550 0.000 0.000 0.337 326 Y C -2.189 173.678 175.900 -0.056 0.000 0.966 326 Y CA -3.027 55.080 58.100 0.011 0.000 1.136 326 Y CB 1.150 39.628 38.460 0.030 0.000 1.170 326 Y HN 0.413 nan 8.280 nan 0.000 0.470 327 P HA 0.139 nan 4.420 nan 0.000 0.268 327 P C -0.475 176.861 177.300 0.059 0.000 1.204 327 P CA 0.005 63.125 63.100 0.033 0.000 0.768 327 P CB 0.668 32.350 31.700 -0.029 0.000 0.842 328 R N 1.995 122.527 120.500 0.054 0.000 2.686 328 R HA 0.550 4.890 4.340 0.000 0.000 0.283 328 R C 0.765 177.109 176.300 0.073 0.000 0.978 328 R CA -0.956 55.176 56.100 0.052 0.000 0.897 328 R CB 1.506 31.824 30.300 0.029 0.000 1.192 328 R HN 0.376 nan 8.270 nan 0.000 0.457 329 A N 1.642 124.505 122.820 0.073 0.000 1.930 329 A HA 0.002 4.322 4.320 0.000 0.000 0.215 329 A C 0.235 177.871 177.584 0.087 0.000 1.176 329 A CA 1.115 53.209 52.037 0.095 0.000 0.632 329 A CB 0.050 19.101 19.000 0.085 0.000 0.819 329 A HN 0.601 nan 8.150 nan 0.000 0.445 330 E N -1.933 118.299 120.200 0.054 0.000 2.202 330 E HA 0.562 4.912 4.350 0.000 0.000 0.272 330 E C 0.186 176.789 176.600 0.005 0.000 0.951 330 E CA 0.639 57.060 56.400 0.035 0.000 0.813 330 E CB 1.681 31.396 29.700 0.026 0.000 1.151 330 E HN 0.625 nan 8.360 nan 0.000 0.398 331 G N 2.082 110.869 108.800 -0.023 0.000 2.339 331 G HA2 -0.032 3.928 3.960 0.000 0.000 0.275 331 G HA3 -0.032 3.928 3.960 0.000 0.000 0.275 331 G C -1.422 173.382 174.900 -0.161 0.000 1.323 331 G CA -1.081 43.977 45.100 -0.071 0.000 0.927 331 G HN 0.471 nan 8.290 nan 0.000 0.486 332 D N 2.433 122.675 120.400 -0.263 0.000 2.472 332 D HA 0.381 5.021 4.640 0.000 0.000 0.237 332 D C -1.774 174.130 176.300 -0.659 0.000 1.141 332 D CA -0.042 53.700 54.000 -0.430 0.000 0.875 332 D CB 0.872 41.382 40.800 -0.484 0.000 1.192 332 D HN 0.248 nan 8.370 nan 0.000 0.450 333 P HA 0.052 nan 4.420 nan 0.000 0.276 333 P C -0.451 176.596 177.300 -0.421 0.000 1.264 333 P CA 0.285 62.992 63.100 -0.655 0.000 0.769 333 P CB 0.330 31.340 31.700 -1.151 0.000 0.840 334 Y N 1.747 122.053 120.300 0.009 0.000 2.678 334 Y HA 0.190 4.740 4.550 0.001 0.000 0.274 334 Y C 0.682 176.655 175.900 0.122 0.000 1.114 334 Y CA -0.249 57.809 58.100 -0.070 0.000 1.274 334 Y CB 0.377 38.601 38.460 -0.393 0.000 1.438 334 Y HN 0.172 nan 8.280 nan 0.000 0.493 335 Y N 1.731 122.401 120.300 0.616 0.000 2.328 335 Y HA 0.368 4.918 4.550 0.000 0.000 0.337 335 Y C -2.632 173.445 175.900 0.295 0.000 0.966 335 Y CA -3.103 55.266 58.100 0.448 0.000 1.136 335 Y CB 1.177 39.766 38.460 0.215 0.000 1.170 335 Y HN -0.184 nan 8.280 nan 0.000 0.470 336 P HA 0.047 nan 4.420 nan 0.000 0.276 336 P C -0.666 176.581 177.300 -0.089 0.000 1.243 336 P CA -0.220 62.576 63.100 -0.507 0.000 0.768 336 P CB 0.841 31.907 31.700 -1.057 0.000 0.856 337 V N 7.063 126.985 119.914 0.013 0.000 2.446 337 V HA 0.111 4.231 4.120 0.000 0.000 0.276 337 V C -1.912 174.125 176.094 -0.095 0.000 1.030 337 V CA -1.221 61.094 62.300 0.024 0.000 1.033 337 V CB 0.049 31.948 31.823 0.126 0.000 0.993 337 V HN 0.520 nan 8.190 nan 0.000 0.477 338 P HA 0.508 nan 4.420 nan 0.000 0.282 338 P C -0.377 176.842 177.300 -0.135 0.000 1.262 338 P CA -0.260 62.723 63.100 -0.196 0.000 0.773 338 P CB 0.547 32.073 31.700 -0.290 0.000 0.879 339 R N 3.766 124.239 120.500 -0.046 0.000 2.907 339 R HA 0.125 4.465 4.340 0.000 0.000 0.246 339 R C -2.429 173.880 176.300 0.015 0.000 1.082 339 R CA -1.280 54.807 56.100 -0.022 0.000 1.003 339 R CB 1.317 31.618 30.300 0.002 0.000 1.261 339 R HN 0.157 nan 8.270 nan 0.000 0.474 340 P HA -0.168 nan 4.420 nan 0.000 0.218 340 P C 0.283 177.599 177.300 0.027 0.000 1.148 340 P CA 1.322 64.431 63.100 0.015 0.000 0.822 340 P CB 0.396 32.096 31.700 0.000 0.000 0.784 341 E N -0.762 119.454 120.200 0.026 0.000 2.150 341 E HA -0.149 4.201 4.350 0.000 0.000 0.193 341 E C 1.646 178.277 176.600 0.051 0.000 0.985 341 E CA 0.975 57.392 56.400 0.027 0.000 0.814 341 E CB -0.820 28.896 29.700 0.027 0.000 0.752 341 E HN 0.281 nan 8.360 nan 0.000 0.466 342 N N 0.557 119.310 118.700 0.087 0.000 2.300 342 N HA 0.021 4.761 4.740 0.000 0.000 0.179 342 N C 1.629 177.257 175.510 0.197 0.000 1.016 342 N CA 1.213 54.351 53.050 0.148 0.000 0.876 342 N CB -0.301 38.324 38.487 0.230 0.000 0.979 342 N HN 0.227 nan 8.380 nan 0.000 0.432 343 A N 1.148 124.072 122.820 0.174 0.000 1.930 343 A HA -0.145 4.175 4.320 0.000 0.000 0.217 343 A C 2.122 179.782 177.584 0.126 0.000 1.175 343 A CA 1.345 53.499 52.037 0.195 0.000 0.627 343 A CB -0.511 18.567 19.000 0.130 0.000 0.815 343 A HN 0.352 nan 8.150 nan 0.000 0.443 344 E N -0.326 119.905 120.200 0.053 0.000 2.085 344 E HA -0.182 4.168 4.350 0.000 0.000 0.194 344 E C 1.965 178.529 176.600 -0.060 0.000 0.994 344 E CA 1.085 57.475 56.400 -0.016 0.000 0.801 344 E CB -0.183 29.497 29.700 -0.034 0.000 0.743 344 E HN 0.612 nan 8.360 nan 0.000 0.453 345 L N 0.124 121.334 121.223 -0.022 0.000 2.017 345 L HA -0.205 4.135 4.340 0.000 0.000 0.208 345 L C 2.497 179.361 176.870 -0.010 0.000 1.073 345 L CA 1.550 56.359 54.840 -0.051 0.000 0.745 345 L CB -0.367 41.710 42.059 0.031 0.000 0.894 345 L HN 0.323 nan 8.230 nan 0.000 0.432 346 Y N 0.787 121.078 120.300 -0.016 0.000 2.181 346 Y HA -0.257 4.293 4.550 0.000 0.000 0.288 346 Y C 2.558 178.495 175.900 0.060 0.000 1.146 346 Y CA 1.515 59.646 58.100 0.053 0.000 1.164 346 Y CB -0.141 38.388 38.460 0.115 0.000 0.982 346 Y HN 0.012 nan 8.280 nan 0.000 0.515 347 K N 0.535 120.831 120.400 -0.174 0.000 2.113 347 K HA -0.229 4.091 4.320 0.000 0.000 0.208 347 K C 1.982 178.388 176.600 -0.323 0.000 1.047 347 K CA 1.953 58.092 56.287 -0.247 0.000 0.928 347 K CB -0.168 32.268 32.500 -0.106 0.000 0.716 347 K HN 0.448 nan 8.250 nan 0.000 0.446 348 K N -0.152 120.035 120.400 -0.356 0.000 2.002 348 K HA -0.155 4.165 4.320 0.000 0.000 0.209 348 K C 2.256 178.658 176.600 -0.330 0.000 1.048 348 K CA 1.650 57.663 56.287 -0.457 0.000 0.930 348 K CB -0.361 31.605 32.500 -0.889 0.000 0.714 348 K HN 0.201 nan 8.250 nan 0.000 0.438 349 Y N 1.463 121.650 120.300 -0.188 0.000 2.165 349 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 349 Y C 2.574 178.233 175.900 -0.402 0.000 1.155 349 Y CA 1.278 59.248 58.100 -0.217 0.000 1.164 349 Y CB -0.138 38.285 38.460 -0.061 0.000 0.978 349 Y HN 0.252 nan 8.280 nan 0.000 0.513 350 E N 0.364 120.272 120.200 -0.487 0.000 2.171 350 E HA -0.272 4.078 4.350 0.000 0.000 0.197 350 E C 2.217 178.669 176.600 -0.247 0.000 0.997 350 E CA 1.016 57.151 56.400 -0.441 0.000 0.810 350 E CB -0.157 29.192 29.700 -0.586 0.000 0.738 350 E HN 0.475 nan 8.360 nan 0.000 0.467 351 A N 0.611 123.288 122.820 -0.237 0.000 1.897 351 A HA -0.083 4.237 4.320 0.000 0.000 0.215 351 A C 2.140 179.613 177.584 -0.185 0.000 1.181 351 A CA 0.831 52.767 52.037 -0.169 0.000 0.620 351 A CB -0.476 18.432 19.000 -0.152 0.000 0.821 351 A HN 0.277 nan 8.150 nan 0.000 0.443 352 L N -0.685 120.350 121.223 -0.312 0.000 2.046 352 L HA -0.185 4.155 4.340 0.000 0.000 0.208 352 L C 3.056 179.777 176.870 -0.249 0.000 1.077 352 L CA 1.125 55.681 54.840 -0.473 0.000 0.747 352 L CB -0.566 40.757 42.059 -1.226 0.000 0.896 352 L HN 0.427 nan 8.230 nan 0.000 0.432 353 A N -0.315 122.350 122.820 -0.259 0.000 1.930 353 A HA -0.199 4.121 4.320 0.000 0.000 0.217 353 A C 1.859 179.416 177.584 -0.044 0.000 1.175 353 A CA 1.731 53.588 52.037 -0.300 0.000 0.627 353 A CB -0.457 17.996 19.000 -0.912 0.000 0.815 353 A HN 0.313 nan 8.150 nan 0.000 0.443 354 D N -0.161 120.215 120.400 -0.041 0.000 2.309 354 D HA 0.037 4.677 4.640 0.000 0.000 0.212 354 D C 1.914 178.258 176.300 0.074 0.000 0.968 354 D CA 1.226 55.251 54.000 0.043 0.000 0.882 354 D CB -0.062 40.747 40.800 0.014 0.000 0.918 354 D HN 0.458 nan 8.370 nan 0.000 0.503 355 A N 0.482 123.340 122.820 0.063 0.000 1.956 355 A HA 0.393 4.714 4.320 0.000 0.000 0.212 355 A C 1.400 179.073 177.584 0.148 0.000 1.188 355 A CA 0.524 52.610 52.037 0.082 0.000 0.675 355 A CB -0.352 18.671 19.000 0.039 0.000 0.845 355 A HN 0.152 nan 8.150 nan 0.000 0.455 356 A N 0.853 123.811 122.820 0.231 0.000 2.572 356 A HA 0.111 4.432 4.320 0.000 0.000 0.256 356 A C 1.020 178.745 177.584 0.235 0.000 1.041 356 A CA 0.499 52.721 52.037 0.307 0.000 0.790 356 A CB -0.191 19.105 19.000 0.493 0.000 0.947 356 A HN 0.646 nan 8.150 nan 0.000 0.518 357 Q N 1.705 121.615 119.800 0.184 0.000 2.020 357 Q HA -0.102 4.238 4.340 0.000 0.000 0.198 357 Q C 0.075 176.180 176.000 0.176 0.000 0.974 357 Q CA 1.441 57.339 55.803 0.158 0.000 0.829 357 Q CB 0.068 28.879 28.738 0.122 0.000 0.894 357 Q HN 0.834 nan 8.270 nan 0.000 0.433 358 D N 0.322 120.795 120.400 0.121 0.000 2.427 358 D HA 0.169 4.810 4.640 0.000 0.000 0.224 358 D C -0.661 175.439 176.300 -0.334 0.000 1.157 358 D CA 0.177 54.201 54.000 0.039 0.000 0.828 358 D CB 1.086 41.926 40.800 0.066 0.000 0.974 358 D HN -0.058 nan 8.370 nan 0.000 0.498 359 V N 0.558 120.364 119.914 -0.180 0.000 2.638 359 V HA 0.302 4.422 4.120 0.000 0.000 0.306 359 V C 0.077 176.068 176.094 -0.173 0.000 1.052 359 V CA -0.507 61.595 62.300 -0.331 0.000 0.885 359 V CB 2.443 34.060 31.823 -0.343 0.000 0.999 359 V HN -0.105 nan 8.190 nan 0.000 0.424 360 T N 5.173 119.585 114.554 -0.238 0.000 2.797 360 T HA 0.665 5.016 4.350 0.000 0.000 0.279 360 T C -0.806 173.768 174.700 -0.210 0.000 0.991 360 T CA -0.093 62.013 62.100 0.010 0.000 0.979 360 T CB 0.626 69.603 68.868 0.183 0.000 0.943 360 T HN 0.283 nan 8.240 nan 0.000 0.444 361 F N 2.432 122.405 119.950 0.037 0.000 2.436 361 F HA 0.717 5.245 4.527 0.000 0.000 0.340 361 F C 0.219 176.062 175.800 0.071 0.000 1.113 361 F CA -0.849 57.182 58.000 0.052 0.000 1.022 361 F CB 1.555 40.603 39.000 0.080 0.000 1.128 361 F HN 0.239 nan 8.300 nan 0.000 0.466 362 V N 2.455 122.468 119.914 0.164 0.000 3.000 362 V HA 0.889 5.009 4.120 0.000 0.000 0.300 362 V C -0.591 175.543 176.094 0.066 0.000 1.251 362 V CA 0.254 62.615 62.300 0.102 0.000 0.972 362 V CB 1.488 33.335 31.823 0.039 0.000 1.065 362 V HN 1.235 nan 8.190 nan 0.000 0.431 363 G N 5.484 114.332 108.800 0.080 0.000 2.392 363 G HA2 0.008 3.968 3.960 0.000 0.000 0.677 363 G HA3 0.008 3.968 3.960 0.000 0.000 0.677 363 G C 0.032 175.071 174.900 0.233 0.000 1.334 363 G CA 0.068 45.228 45.100 0.101 0.000 0.961 363 G HN 1.695 nan 8.290 nan 0.000 0.616 364 R N -0.331 120.318 120.500 0.248 0.000 2.152 364 R HA 0.116 4.457 4.340 0.000 0.000 0.232 364 R C 1.832 178.285 176.300 0.255 0.000 1.117 364 R CA 1.854 58.127 56.100 0.288 0.000 0.981 364 R CB -0.203 30.215 30.300 0.197 0.000 0.870 364 R HN 0.436 nan 8.270 nan 0.000 0.451 365 L N 0.031 121.385 121.223 0.217 0.000 2.388 365 L HA 0.278 4.618 4.340 0.000 0.000 0.209 365 L C 2.613 179.660 176.870 0.294 0.000 1.061 365 L CA 0.547 55.536 54.840 0.249 0.000 0.834 365 L CB -0.229 41.892 42.059 0.102 0.000 1.029 365 L HN 0.251 nan 8.230 nan 0.000 0.473 366 A N -0.048 122.924 122.820 0.253 0.000 2.067 366 A HA -0.152 4.169 4.320 0.000 0.000 0.219 366 A C 2.035 179.879 177.584 0.433 0.000 1.158 366 A CA 2.072 54.338 52.037 0.383 0.000 0.661 366 A CB -0.575 18.623 19.000 0.331 0.000 0.801 366 A HN 0.470 nan 8.150 nan 0.000 0.452 367 T N -7.761 107.001 114.554 0.346 0.000 3.111 367 T HA 0.187 4.538 4.350 0.000 0.000 0.284 367 T C 0.323 174.932 174.700 -0.152 0.000 0.983 367 T CA 0.393 62.651 62.100 0.262 0.000 0.900 367 T CB -0.287 68.777 68.868 0.326 0.000 1.132 367 T HN 0.837 nan 8.240 nan 0.000 0.531 368 Y N 1.489 121.714 120.300 -0.125 0.000 3.825 368 Y HA -0.242 4.309 4.550 0.000 0.000 0.221 368 Y C -0.101 175.639 175.900 -0.266 0.000 1.195 368 Y CA 0.305 58.281 58.100 -0.206 0.000 1.699 368 Y CB -1.672 36.545 38.460 -0.405 0.000 1.531 368 Y HN 0.493 nan 8.280 nan 0.000 0.640 369 R N 0.103 120.428 120.500 -0.292 0.000 2.803 369 R HA 0.392 4.732 4.340 0.000 0.000 0.276 369 R C -1.117 174.975 176.300 -0.347 0.000 0.978 369 R CA -1.005 54.812 56.100 -0.471 0.000 0.939 369 R CB 1.277 31.129 30.300 -0.746 0.000 1.179 369 R HN 0.186 nan 8.270 nan 0.000 0.472 370 Y N 2.754 122.866 120.300 -0.313 0.000 2.539 370 Y HA 0.193 4.744 4.550 0.000 0.000 0.352 370 Y C -1.351 174.444 175.900 -0.175 0.000 1.004 370 Y CA -0.070 57.980 58.100 -0.083 0.000 1.278 370 Y CB 0.137 38.660 38.460 0.105 0.000 1.136 370 Y HN 0.389 nan 8.280 nan 0.000 0.528 371 Y N 4.007 124.158 120.300 -0.249 0.000 2.361 371 Y HA 0.288 4.838 4.550 0.000 0.000 0.332 371 Y C 0.460 176.126 175.900 -0.391 0.000 1.101 371 Y CA -1.114 56.868 58.100 -0.197 0.000 1.137 371 Y CB 0.706 39.106 38.460 -0.100 0.000 1.207 371 Y HN 0.571 nan 8.280 nan 0.000 0.463 372 N N 2.236 120.918 118.700 -0.030 0.000 2.415 372 N HA 0.064 4.804 4.740 0.000 0.000 0.248 372 N C 1.115 176.532 175.510 -0.156 0.000 1.271 372 N CA 0.110 53.103 53.050 -0.096 0.000 0.913 372 N CB 0.570 39.005 38.487 -0.087 0.000 1.129 372 N HN 0.789 nan 8.380 nan 0.000 0.444 373 M N 0.399 119.880 119.600 -0.198 0.000 2.089 373 M HA -0.246 4.234 4.480 0.000 0.000 0.257 373 M C 1.636 177.699 176.300 -0.395 0.000 1.071 373 M CA 1.732 56.823 55.300 -0.349 0.000 1.096 373 M CB -0.397 32.023 32.600 -0.301 0.000 1.330 373 M HN 0.611 nan 8.290 nan 0.000 0.403 374 D N -0.137 120.037 120.400 -0.377 0.000 2.178 374 D HA -0.220 4.420 4.640 0.000 0.000 0.201 374 D C 1.623 177.816 176.300 -0.178 0.000 0.980 374 D CA 1.430 55.273 54.000 -0.262 0.000 0.842 374 D CB -0.466 40.036 40.800 -0.497 0.000 0.948 374 D HN 0.546 nan 8.370 nan 0.000 0.472 375 Q N 0.371 120.065 119.800 -0.177 0.000 2.083 375 Q HA -0.051 4.289 4.340 0.000 0.000 0.198 375 Q C 2.718 178.588 176.000 -0.217 0.000 0.969 375 Q CA 0.980 56.704 55.803 -0.133 0.000 0.838 375 Q CB 0.105 28.838 28.738 -0.009 0.000 0.900 375 Q HN 0.192 nan 8.270 nan 0.000 0.436 376 V N 0.345 120.140 119.914 -0.197 0.000 2.287 376 V HA -0.250 3.870 4.120 0.000 0.000 0.248 376 V C 2.232 178.261 176.094 -0.108 0.000 1.053 376 V CA 1.509 63.704 62.300 -0.175 0.000 1.027 376 V CB -0.559 31.248 31.823 -0.026 0.000 0.646 376 V HN 0.191 nan 8.190 nan 0.000 0.447 377 V N 0.312 120.172 119.914 -0.089 0.000 2.332 377 V HA -0.279 3.842 4.120 0.000 0.000 0.248 377 V C 2.718 178.762 176.094 -0.084 0.000 1.055 377 V CA 2.097 64.382 62.300 -0.025 0.000 1.038 377 V CB -1.129 30.720 31.823 0.042 0.000 0.651 377 V HN 0.572 nan 8.190 nan 0.000 0.450 378 A N -0.805 121.961 122.820 -0.090 0.000 1.933 378 A HA -0.307 4.013 4.320 0.000 0.000 0.218 378 A C 2.247 179.770 177.584 -0.101 0.000 1.175 378 A CA 2.059 54.043 52.037 -0.088 0.000 0.628 378 A CB -0.534 18.423 19.000 -0.071 0.000 0.814 378 A HN 0.619 nan 8.150 nan 0.000 0.444 379 Q N -0.819 118.893 119.800 -0.148 0.000 2.297 379 Q HA 0.002 4.342 4.340 0.000 0.000 0.204 379 Q C 1.935 177.884 176.000 -0.085 0.000 0.962 379 Q CA 1.128 56.839 55.803 -0.152 0.000 0.879 379 Q CB -0.228 28.327 28.738 -0.304 0.000 0.947 379 Q HN 0.617 nan 8.270 nan 0.000 0.462 380 A N 0.231 123.005 122.820 -0.077 0.000 1.943 380 A HA 0.025 4.346 4.320 0.000 0.000 0.213 380 A C 1.910 179.473 177.584 -0.036 0.000 1.181 380 A CA 0.319 52.328 52.037 -0.046 0.000 0.653 380 A CB -0.312 18.663 19.000 -0.041 0.000 0.833 380 A HN 0.394 nan 8.150 nan 0.000 0.451 381 L N -0.549 120.621 121.223 -0.087 0.000 2.093 381 L HA -0.167 4.173 4.340 0.000 0.000 0.208 381 L C 3.044 179.943 176.870 0.049 0.000 1.085 381 L CA 1.047 55.851 54.840 -0.059 0.000 0.755 381 L CB -0.501 41.461 42.059 -0.162 0.000 0.904 381 L HN 0.434 nan 8.230 nan 0.000 0.435 382 A N -0.370 122.454 122.820 0.007 0.000 1.898 382 A HA -0.174 4.146 4.320 0.000 0.000 0.216 382 A C 2.357 179.958 177.584 0.029 0.000 1.181 382 A CA 2.149 54.195 52.037 0.015 0.000 0.620 382 A CB -0.851 18.147 19.000 -0.003 0.000 0.819 382 A HN 0.360 nan 8.150 nan 0.000 0.442 383 T N -0.510 114.066 114.554 0.037 0.000 2.720 383 T HA -0.167 4.183 4.350 0.000 0.000 0.268 383 T C 1.602 176.345 174.700 0.071 0.000 1.037 383 T CA 1.671 63.802 62.100 0.051 0.000 1.144 383 T CB -0.414 68.485 68.868 0.051 0.000 0.864 383 T HN 0.502 nan 8.240 nan 0.000 0.444 384 F N 2.212 122.124 119.950 -0.063 0.000 2.134 384 F HA -0.050 4.477 4.527 0.000 0.000 0.299 384 F C 2.368 178.142 175.800 -0.045 0.000 1.097 384 F CA 1.159 59.115 58.000 -0.073 0.000 1.264 384 F CB -0.304 38.644 39.000 -0.087 0.000 1.001 384 F HN -0.065 nan 8.300 nan 0.000 0.479 385 R N -0.138 120.269 120.500 -0.156 0.000 2.081 385 R HA -0.172 4.168 4.340 0.000 0.000 0.235 385 R C 2.513 178.699 176.300 -0.191 0.000 1.131 385 R CA 1.663 57.619 56.100 -0.240 0.000 0.960 385 R CB -0.486 29.770 30.300 -0.074 0.000 0.856 385 R HN 0.264 nan 8.270 nan 0.000 0.436 386 R N 0.450 120.893 120.500 -0.095 0.000 2.081 386 R HA -0.117 4.223 4.340 0.000 0.000 0.235 386 R C 1.456 177.710 176.300 -0.077 0.000 1.131 386 R CA 1.061 57.127 56.100 -0.055 0.000 0.960 386 R CB -0.156 30.142 30.300 -0.003 0.000 0.856 386 R HN 0.072 nan 8.270 nan 0.000 0.436 387 L N 1.193 122.354 121.223 -0.104 0.000 2.700 387 L HA -0.059 4.281 4.340 0.000 0.000 0.240 387 L C 0.425 177.206 176.870 -0.148 0.000 1.162 387 L CA 1.595 56.376 54.840 -0.099 0.000 0.874 387 L CB -0.236 41.781 42.059 -0.071 0.000 1.001 387 L HN 0.293 nan 8.230 nan 0.000 0.447 388 Q N -2.614 117.072 119.800 -0.191 0.000 1.882 388 Q HA 0.314 4.654 4.340 0.000 0.000 0.188 388 Q C 1.011 176.932 176.000 -0.131 0.000 0.795 388 Q CA 0.373 56.066 55.803 -0.183 0.000 0.932 388 Q CB 0.991 29.540 28.738 -0.316 0.000 1.239 388 Q HN 0.305 nan 8.270 nan 0.000 0.406 389 G N 1.498 110.240 108.800 -0.097 0.000 3.675 389 G HA2 -0.358 3.602 3.960 0.000 0.000 0.275 389 G HA3 -0.358 3.602 3.960 0.000 0.000 0.275 389 G C 0.068 174.927 174.900 -0.069 0.000 1.648 389 G CA 0.036 45.097 45.100 -0.066 0.000 1.093 389 G HN 0.302 nan 8.290 nan 0.000 0.617 390 Q N 0.000 119.756 119.800 -0.073 0.000 2.315 390 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 390 Q CA 0.000 55.769 55.803 -0.057 0.000 1.022 390 Q CB 0.000 28.689 28.738 -0.081 0.000 1.108 390 Q HN 0.000 nan 8.270 nan 0.000 0.481