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 2esn_1_B DATA FIRST_RESID 2 DATA SEQUENCE HPLLRRLDLN LLLVFDALYR HRNVGTAASE LAISASAFSH ALGRLRQGLD DATA SEQUENCE DELFLRQGNR MQPTQRAEHL AAAVAAALRA LGEGLEEWRP FVPGQSQRTF DATA SEQUENCE VFAATDYTAF ALLPPLMNRL QHSAPGVRLR LVNAERKLSV EALASGRIDF DATA SEQUENCE ALGYDEEHER LPEGIQAHDW FADRYVVVAR RDHPRLAGAP TLEGYLAERH DATA SEQUENCE AVVTPWNEDS GVIDRLLARS GLRREVAVQL PTVLAALFLA GSTDFLLTAP DATA SEQUENCE RHAARALAEA AGLALYPAPF DIPPYVLRLY SHVQXXXXDA HAWMIGQLKG DATA SEQUENCE LDIS 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 2 H HA 0.000 nan 4.556 nan 0.000 0.296 2 H C 0.000 175.312 175.328 -0.026 0.000 0.993 2 H CA 0.000 56.034 56.048 -0.024 0.000 1.023 2 H CB 0.000 29.746 29.762 -0.026 0.000 1.292 3 P HA 0.042 nan 4.420 nan 0.000 0.251 3 P C 0.897 178.208 177.300 0.019 0.000 1.223 3 P CA 0.368 63.478 63.100 0.017 0.000 0.796 3 P CB 0.273 31.965 31.700 -0.014 0.000 1.068 4 L N -1.975 119.259 121.223 0.019 0.000 2.291 4 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 4 L C 2.168 179.037 176.870 -0.001 0.000 1.120 4 L CA 1.252 56.093 54.840 0.001 0.000 0.799 4 L CB -1.315 40.738 42.059 -0.009 0.000 0.925 4 L HN -0.093 nan 8.230 nan 0.000 0.446 5 L N -0.402 120.835 121.223 0.023 0.000 2.209 5 L HA -0.028 4.311 4.340 -0.000 0.000 0.207 5 L C 2.779 179.649 176.870 0.001 0.000 1.094 5 L CA 0.536 55.375 54.840 -0.001 0.000 0.790 5 L CB -0.263 41.792 42.059 -0.006 0.000 0.932 5 L HN 0.246 nan 8.230 nan 0.000 0.447 6 R N 0.706 121.221 120.500 0.026 0.000 2.148 6 R HA -0.171 4.168 4.340 -0.000 0.000 0.227 6 R C 2.195 178.494 176.300 -0.002 0.000 1.103 6 R CA 1.281 57.391 56.100 0.016 0.000 0.983 6 R CB -0.177 30.138 30.300 0.025 0.000 0.874 6 R HN 0.034 nan 8.270 nan 0.000 0.451 7 R N -0.733 119.763 120.500 -0.007 0.000 2.161 7 R HA 0.172 4.511 4.340 -0.000 0.000 0.213 7 R C -0.309 175.976 176.300 -0.024 0.000 1.055 7 R CA 0.409 56.500 56.100 -0.015 0.000 0.996 7 R CB -0.134 30.157 30.300 -0.015 0.000 0.901 7 R HN 0.167 nan 8.270 nan 0.000 0.456 8 L N 1.107 122.312 121.223 -0.031 0.000 2.292 8 L HA 0.234 4.574 4.340 -0.000 0.000 0.284 8 L C -0.854 175.991 176.870 -0.042 0.000 1.065 8 L CA -0.393 54.422 54.840 -0.043 0.000 0.806 8 L CB 1.375 43.401 42.059 -0.056 0.000 1.175 8 L HN 0.007 nan 8.230 nan 0.000 0.431 9 D N 4.488 124.861 120.400 -0.045 0.000 2.385 9 D HA 0.005 4.644 4.640 -0.000 0.000 0.260 9 D C 1.307 177.578 176.300 -0.049 0.000 1.326 9 D CA 0.312 54.285 54.000 -0.045 0.000 1.023 9 D CB 0.303 41.073 40.800 -0.050 0.000 1.083 9 D HN 0.614 nan 8.370 nan 0.000 0.517 10 L N 2.978 124.172 121.223 -0.048 0.000 2.197 10 L HA -0.260 4.079 4.340 -0.000 0.000 0.215 10 L C 1.685 178.532 176.870 -0.037 0.000 1.095 10 L CA 1.060 55.871 54.840 -0.048 0.000 0.764 10 L CB -0.453 41.574 42.059 -0.053 0.000 0.897 10 L HN 0.374 nan 8.230 nan 0.000 0.436 11 N N 0.036 118.714 118.700 -0.037 0.000 2.309 11 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 11 N C 1.780 177.274 175.510 -0.027 0.000 1.018 11 N CA 0.722 53.755 53.050 -0.029 0.000 0.876 11 N CB -0.131 38.337 38.487 -0.032 0.000 0.972 11 N HN 0.295 nan 8.380 nan 0.000 0.434 12 L N 0.426 121.625 121.223 -0.041 0.000 2.353 12 L HA -0.086 4.254 4.340 -0.000 0.000 0.220 12 L C 1.599 178.477 176.870 0.013 0.000 1.133 12 L CA 0.589 55.403 54.840 -0.044 0.000 0.798 12 L CB -0.278 41.744 42.059 -0.062 0.000 0.922 12 L HN 0.285 nan 8.230 nan 0.000 0.445 13 L N -0.738 120.498 121.223 0.020 0.000 2.313 13 L HA -0.130 4.210 4.340 -0.000 0.000 0.214 13 L C 2.250 179.204 176.870 0.141 0.000 1.119 13 L CA 0.578 55.465 54.840 0.078 0.000 0.809 13 L CB -0.206 41.859 42.059 0.010 0.000 0.933 13 L HN 0.294 nan 8.230 nan 0.000 0.449 14 L N -1.352 119.923 121.223 0.086 0.000 2.201 14 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 14 L C 2.370 179.320 176.870 0.133 0.000 1.105 14 L CA 0.462 55.364 54.840 0.103 0.000 0.775 14 L CB -0.447 41.653 42.059 0.068 0.000 0.913 14 L HN 0.050 nan 8.230 nan 0.000 0.440 15 V N -0.566 119.402 119.914 0.090 0.000 2.323 15 V HA -0.264 3.856 4.120 -0.000 0.000 0.244 15 V C 2.226 178.391 176.094 0.119 0.000 1.041 15 V CA 1.599 63.915 62.300 0.027 0.000 1.025 15 V CB -0.504 31.164 31.823 -0.259 0.000 0.656 15 V HN 0.305 nan 8.190 nan 0.000 0.451 16 F N 1.755 121.737 119.950 0.054 0.000 2.063 16 F HA -0.324 4.203 4.527 -0.000 0.000 0.298 16 F C 2.271 178.222 175.800 0.252 0.000 1.109 16 F CA 2.571 60.684 58.000 0.188 0.000 1.212 16 F CB -0.336 38.750 39.000 0.144 0.000 0.973 16 F HN 0.309 nan 8.300 nan 0.000 0.480 17 D N -0.152 120.437 120.400 0.315 0.000 2.097 17 D HA -0.183 4.456 4.640 -0.000 0.000 0.195 17 D C 2.211 178.610 176.300 0.165 0.000 0.989 17 D CA 1.498 55.633 54.000 0.225 0.000 0.827 17 D CB -0.353 40.576 40.800 0.214 0.000 0.966 17 D HN 0.330 nan 8.370 nan 0.000 0.456 18 A N 0.318 123.250 122.820 0.186 0.000 1.908 18 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 18 A C 2.367 180.082 177.584 0.219 0.000 1.181 18 A CA 1.075 53.259 52.037 0.246 0.000 0.627 18 A CB -0.918 18.240 19.000 0.264 0.000 0.818 18 A HN 0.440 nan 8.150 nan 0.000 0.445 19 L N -2.211 119.070 121.223 0.097 0.000 2.109 19 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 19 L C 2.480 179.203 176.870 -0.245 0.000 1.086 19 L CA 1.671 56.417 54.840 -0.156 0.000 0.760 19 L CB -0.369 41.406 42.059 -0.474 0.000 0.910 19 L HN 0.606 nan 8.230 nan 0.000 0.437 20 Y N 0.747 120.934 120.300 -0.188 0.000 2.224 20 Y HA -0.270 4.280 4.550 -0.000 0.000 0.289 20 Y C 2.718 178.605 175.900 -0.022 0.000 1.146 20 Y CA 1.684 59.776 58.100 -0.014 0.000 1.182 20 Y CB 0.002 38.375 38.460 -0.145 0.000 0.983 20 Y HN 0.063 nan 8.280 nan 0.000 0.524 21 R N -1.409 119.096 120.500 0.008 0.000 2.062 21 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 21 R C 2.018 178.160 176.300 -0.263 0.000 1.128 21 R CA 1.432 57.454 56.100 -0.130 0.000 0.960 21 R CB -0.413 29.793 30.300 -0.157 0.000 0.855 21 R HN 0.464 nan 8.270 nan 0.000 0.432 22 H N -0.026 118.982 119.070 -0.104 0.000 2.448 22 H HA 0.156 4.711 4.556 -0.000 0.000 0.292 22 H C 0.607 175.843 175.328 -0.153 0.000 1.035 22 H CA 0.441 56.414 56.048 -0.124 0.000 1.349 22 H CB 0.324 30.001 29.762 -0.142 0.000 1.425 22 H HN -0.037 nan 8.280 nan 0.000 0.539 23 R N 0.619 121.065 120.500 -0.090 0.000 3.741 23 R HA -0.170 4.170 4.340 -0.000 0.000 0.292 23 R C -0.363 175.870 176.300 -0.112 0.000 1.176 23 R CA 0.805 56.827 56.100 -0.130 0.000 0.794 23 R CB -1.560 28.674 30.300 -0.111 0.000 1.213 23 R HN 0.408 nan 8.270 nan 0.000 0.494 24 N N -1.138 117.486 118.700 -0.126 0.000 2.455 24 N HA 0.138 4.878 4.740 -0.000 0.000 0.285 24 N C 0.717 176.068 175.510 -0.264 0.000 1.080 24 N CA 0.203 53.165 53.050 -0.147 0.000 0.932 24 N CB 1.698 40.121 38.487 -0.106 0.000 1.610 24 N HN -0.057 nan 8.380 nan 0.000 0.493 25 V N 2.131 121.874 119.914 -0.286 0.000 2.548 25 V HA 0.159 4.279 4.120 -0.000 0.000 0.249 25 V C 2.056 177.770 176.094 -0.632 0.000 1.055 25 V CA 2.073 64.058 62.300 -0.524 0.000 1.065 25 V CB -0.875 30.802 31.823 -0.242 0.000 0.681 25 V HN 0.639 nan 8.190 nan 0.000 0.462 26 G N 1.403 109.982 108.800 -0.369 0.000 2.404 26 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 26 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 26 G C 1.744 176.423 174.900 -0.369 0.000 1.174 26 G CA 1.836 46.745 45.100 -0.318 0.000 0.780 26 G HN 0.676 nan 8.290 nan 0.000 0.537 27 T N -0.768 113.562 114.554 -0.373 0.000 2.951 27 T HA 0.308 4.658 4.350 -0.000 0.000 0.268 27 T C 2.511 176.716 174.700 -0.825 0.000 1.073 27 T CA 1.413 63.223 62.100 -0.483 0.000 1.134 27 T CB -0.128 68.519 68.868 -0.368 0.000 0.884 27 T HN 0.305 nan 8.240 nan 0.000 0.479 28 A N 1.929 124.268 122.820 -0.800 0.000 1.873 28 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 28 A C 2.811 180.061 177.584 -0.556 0.000 1.186 28 A CA 1.617 53.246 52.037 -0.680 0.000 0.616 28 A CB -1.399 17.301 19.000 -0.500 0.000 0.823 28 A HN 0.671 nan 8.150 nan 0.000 0.442 29 A N 0.503 122.838 122.820 -0.808 0.000 1.865 29 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 29 A C 2.571 180.030 177.584 -0.207 0.000 1.191 29 A CA 2.708 54.485 52.037 -0.433 0.000 0.623 29 A CB -1.183 17.554 19.000 -0.438 0.000 0.826 29 A HN 1.064 nan 8.150 nan 0.000 0.444 30 S N -0.355 115.197 115.700 -0.247 0.000 2.382 30 S HA -0.235 4.235 4.470 -0.000 0.000 0.228 30 S C 1.858 176.380 174.600 -0.130 0.000 1.027 30 S CA 1.513 59.619 58.200 -0.157 0.000 0.991 30 S CB -0.537 62.575 63.200 -0.146 0.000 0.823 30 S HN 0.662 nan 8.310 nan 0.000 0.469 31 E N 1.087 121.171 120.200 -0.194 0.000 2.130 31 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 31 E C 1.700 178.291 176.600 -0.015 0.000 0.998 31 E CA 1.485 57.834 56.400 -0.086 0.000 0.806 31 E CB -0.218 29.451 29.700 -0.052 0.000 0.738 31 E HN 0.662 nan 8.360 nan 0.000 0.459 32 L N -0.365 120.855 121.223 -0.003 0.000 2.567 32 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 32 L C 0.948 177.839 176.870 0.035 0.000 1.119 32 L CA 0.270 55.140 54.840 0.050 0.000 0.871 32 L CB 0.114 42.247 42.059 0.123 0.000 1.036 32 L HN 0.151 nan 8.230 nan 0.000 0.459 33 A N 1.490 124.314 122.820 0.007 0.000 2.800 33 A HA -0.200 4.120 4.320 -0.000 0.000 0.292 33 A C 0.234 177.830 177.584 0.021 0.000 1.474 33 A CA 1.124 53.164 52.037 0.004 0.000 0.744 33 A CB -2.477 16.527 19.000 0.007 0.000 1.044 33 A HN 0.558 nan 8.150 nan 0.000 0.489 34 I N -2.510 118.081 120.570 0.035 0.000 2.785 34 I HA 0.821 4.991 4.170 -0.000 0.000 0.302 34 I C 0.479 176.628 176.117 0.052 0.000 1.069 34 I CA -0.354 60.981 61.300 0.060 0.000 1.045 34 I CB 2.130 40.194 38.000 0.106 0.000 1.236 34 I HN 0.777 nan 8.210 nan 0.000 0.429 35 S N 3.787 119.517 115.700 0.051 0.000 2.580 35 S HA 0.301 4.770 4.470 -0.000 0.000 0.261 35 S C 1.256 175.898 174.600 0.070 0.000 1.366 35 S CA 0.145 58.369 58.200 0.040 0.000 0.996 35 S CB 1.266 64.487 63.200 0.035 0.000 0.902 35 S HN 1.027 nan 8.310 nan 0.000 0.566 36 A N 1.384 124.229 122.820 0.041 0.000 1.898 36 A HA 0.001 4.320 4.320 -0.000 0.000 0.216 36 A C 2.547 180.200 177.584 0.113 0.000 1.181 36 A CA 1.793 53.861 52.037 0.052 0.000 0.620 36 A CB -1.560 17.444 19.000 0.007 0.000 0.819 36 A HN 1.382 nan 8.150 nan 0.000 0.442 37 S N -0.149 115.602 115.700 0.084 0.000 2.436 37 S HA 0.168 4.638 4.470 -0.000 0.000 0.228 37 S C 2.043 176.717 174.600 0.122 0.000 1.014 37 S CA 1.165 59.417 58.200 0.087 0.000 0.950 37 S CB -0.415 62.812 63.200 0.046 0.000 0.784 37 S HN 0.789 nan 8.310 nan 0.000 0.504 38 A N 1.162 124.057 122.820 0.125 0.000 1.873 38 A HA 0.112 4.431 4.320 -0.000 0.000 0.215 38 A C 1.944 179.610 177.584 0.137 0.000 1.186 38 A CA 1.270 53.390 52.037 0.137 0.000 0.616 38 A CB -1.225 17.840 19.000 0.108 0.000 0.823 38 A HN 0.577 nan 8.150 nan 0.000 0.442 39 F N 0.774 120.737 119.950 0.021 0.000 2.126 39 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 39 F C 2.815 178.622 175.800 0.012 0.000 1.096 39 F CA 1.968 59.967 58.000 -0.001 0.000 1.255 39 F CB -0.216 38.766 39.000 -0.031 0.000 0.997 39 F HN 0.252 nan 8.300 nan 0.000 0.479 40 S N -1.465 114.353 115.700 0.196 0.000 2.387 40 S HA -0.242 4.227 4.470 -0.000 0.000 0.226 40 S C 2.105 176.749 174.600 0.073 0.000 1.026 40 S CA 1.309 59.589 58.200 0.133 0.000 0.972 40 S CB -0.664 62.622 63.200 0.144 0.000 0.814 40 S HN 0.673 nan 8.310 nan 0.000 0.477 41 H N 1.564 120.626 119.070 -0.013 0.000 2.321 41 H HA 0.128 4.684 4.556 -0.000 0.000 0.300 41 H C 2.067 177.355 175.328 -0.066 0.000 1.087 41 H CA 1.964 57.996 56.048 -0.026 0.000 1.319 41 H CB -0.864 28.890 29.762 -0.013 0.000 1.379 41 H HN 0.382 nan 8.280 nan 0.000 0.501 42 A N 0.630 123.303 122.820 -0.245 0.000 1.902 42 A HA -0.091 4.228 4.320 -0.000 0.000 0.217 42 A C 2.458 179.865 177.584 -0.295 0.000 1.181 42 A CA 1.540 53.366 52.037 -0.351 0.000 0.623 42 A CB -0.973 17.826 19.000 -0.335 0.000 0.818 42 A HN 0.479 nan 8.150 nan 0.000 0.443 43 L N 0.238 121.273 121.223 -0.313 0.000 2.083 43 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 43 L C 2.287 179.121 176.870 -0.060 0.000 1.083 43 L CA 2.307 57.033 54.840 -0.191 0.000 0.752 43 L CB -1.091 40.866 42.059 -0.169 0.000 0.899 43 L HN 0.276 nan 8.230 nan 0.000 0.433 44 G N -0.645 108.127 108.800 -0.047 0.000 2.421 44 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 44 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 44 G C 1.725 176.608 174.900 -0.028 0.000 1.171 44 G CA 0.765 45.867 45.100 0.003 0.000 0.775 44 G HN 0.417 nan 8.290 nan 0.000 0.543 45 R N -0.661 119.772 120.500 -0.112 0.000 2.091 45 R HA -0.013 4.327 4.340 -0.000 0.000 0.238 45 R C 2.438 178.695 176.300 -0.072 0.000 1.136 45 R CA 1.058 57.087 56.100 -0.118 0.000 0.959 45 R CB -0.527 29.632 30.300 -0.235 0.000 0.856 45 R HN 0.332 nan 8.270 nan 0.000 0.437 46 L N 1.215 122.398 121.223 -0.066 0.000 2.093 46 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 46 L C 2.084 178.959 176.870 0.008 0.000 1.085 46 L CA 1.628 56.454 54.840 -0.023 0.000 0.755 46 L CB -0.273 41.798 42.059 0.020 0.000 0.904 46 L HN -0.002 nan 8.230 nan 0.000 0.435 47 R N -1.233 119.284 120.500 0.028 0.000 2.096 47 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 47 R C 2.158 178.466 176.300 0.013 0.000 1.127 47 R CA 1.208 57.331 56.100 0.039 0.000 0.968 47 R CB -0.265 30.068 30.300 0.055 0.000 0.861 47 R HN 0.441 nan 8.270 nan 0.000 0.440 48 Q N -0.441 119.361 119.800 0.003 0.000 2.083 48 Q HA -0.041 4.299 4.340 -0.000 0.000 0.198 48 Q C 2.272 178.264 176.000 -0.014 0.000 0.969 48 Q CA 1.713 57.515 55.803 -0.003 0.000 0.838 48 Q CB -0.540 28.197 28.738 -0.001 0.000 0.900 48 Q HN 0.476 nan 8.270 nan 0.000 0.436 49 G N 0.453 109.239 108.800 -0.025 0.000 2.462 49 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 49 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 49 G C 1.290 176.165 174.900 -0.041 0.000 1.121 49 G CA 0.491 45.570 45.100 -0.035 0.000 0.758 49 G HN 0.294 nan 8.290 nan 0.000 0.559 50 L N -0.507 120.692 121.223 -0.039 0.000 2.766 50 L HA 0.231 4.571 4.340 -0.000 0.000 0.242 50 L C 0.527 177.377 176.870 -0.034 0.000 1.136 50 L CA -0.041 54.768 54.840 -0.052 0.000 0.933 50 L CB 0.278 42.291 42.059 -0.077 0.000 1.241 50 L HN 0.118 nan 8.230 nan 0.000 0.522 51 D N 2.048 122.437 120.400 -0.019 0.000 2.802 51 D HA -0.255 4.385 4.640 -0.000 0.000 0.229 51 D C -0.395 175.899 176.300 -0.009 0.000 1.203 51 D CA 1.026 55.020 54.000 -0.011 0.000 0.712 51 D CB -0.586 40.207 40.800 -0.013 0.000 0.973 51 D HN 0.567 nan 8.370 nan 0.000 0.407 52 D N -1.300 119.099 120.400 -0.001 0.000 2.685 52 D HA 0.181 4.821 4.640 -0.000 0.000 0.236 52 D C 0.719 177.035 176.300 0.026 0.000 1.233 52 D CA -0.603 53.397 54.000 0.000 0.000 0.760 52 D CB 0.906 41.694 40.800 -0.020 0.000 1.410 52 D HN -0.158 nan 8.370 nan 0.000 0.439 53 E N 1.868 122.086 120.200 0.029 0.000 2.077 53 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 53 E C 1.526 178.180 176.600 0.089 0.000 0.989 53 E CA 1.219 57.654 56.400 0.059 0.000 0.800 53 E CB -0.046 29.681 29.700 0.046 0.000 0.746 53 E HN 0.623 nan 8.360 nan 0.000 0.452 54 L N -3.075 118.154 121.223 0.009 0.000 2.824 54 L HA -0.304 4.036 4.340 -0.000 0.000 0.395 54 L C -0.060 176.542 176.870 -0.446 0.000 1.064 54 L CA 1.621 56.395 54.840 -0.109 0.000 3.242 54 L CB -1.120 41.030 42.059 0.151 0.000 0.821 54 L HN 0.057 nan 8.230 nan 0.000 0.792 55 F N 0.493 120.492 119.950 0.082 0.000 2.561 55 F HA 0.631 5.158 4.527 -0.000 0.000 0.313 55 F C -0.073 175.750 175.800 0.038 0.000 1.126 55 F CA -0.516 57.514 58.000 0.050 0.000 0.918 55 F CB 1.564 40.588 39.000 0.040 0.000 1.199 55 F HN -0.206 nan 8.300 nan 0.000 0.444 56 L N 3.076 124.406 121.223 0.179 0.000 2.289 56 L HA 0.563 4.902 4.340 -0.000 0.000 0.285 56 L C 0.238 177.171 176.870 0.106 0.000 1.049 56 L CA -0.770 54.139 54.840 0.115 0.000 0.804 56 L CB 1.397 43.495 42.059 0.066 0.000 1.195 56 L HN 0.598 nan 8.230 nan 0.000 0.428 57 R N 2.710 123.259 120.500 0.081 0.000 2.347 57 R HA 0.204 4.543 4.340 -0.000 0.000 0.304 57 R C -0.714 175.608 176.300 0.036 0.000 1.072 57 R CA -0.090 56.043 56.100 0.055 0.000 0.980 57 R CB 0.533 30.860 30.300 0.045 0.000 0.986 57 R HN 0.616 nan 8.270 nan 0.000 0.448 58 Q N 3.568 123.384 119.800 0.026 0.000 2.558 58 Q HA 0.263 4.603 4.340 -0.000 0.000 0.252 58 Q C 0.137 176.140 176.000 0.006 0.000 1.015 58 Q CA 0.035 55.847 55.803 0.015 0.000 0.720 58 Q CB 2.008 30.754 28.738 0.013 0.000 1.215 58 Q HN 1.085 nan 8.270 nan 0.000 0.500 59 G N 3.440 112.242 108.800 0.004 0.000 2.559 59 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.282 59 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.282 59 G C 0.318 175.213 174.900 -0.008 0.000 1.177 59 G CA 0.492 45.590 45.100 -0.003 0.000 0.960 59 G HN 0.725 nan 8.290 nan 0.000 0.540 60 N N 0.658 119.348 118.700 -0.017 0.000 2.203 60 N HA 0.181 4.921 4.740 -0.000 0.000 0.207 60 N C 0.707 176.198 175.510 -0.032 0.000 1.130 60 N CA 0.814 53.846 53.050 -0.029 0.000 0.861 60 N CB 0.329 38.791 38.487 -0.041 0.000 1.005 60 N HN 0.908 nan 8.380 nan 0.000 0.507 61 R N 0.893 121.382 120.500 -0.019 0.000 2.265 61 R HA 0.274 4.613 4.340 -0.000 0.000 0.314 61 R C -0.609 175.692 176.300 0.002 0.000 1.053 61 R CA -0.358 55.731 56.100 -0.018 0.000 0.931 61 R CB 0.416 30.709 30.300 -0.012 0.000 1.024 61 R HN -0.021 nan 8.270 nan 0.000 0.457 62 M N 4.138 123.735 119.600 -0.004 0.000 2.061 62 M HA 0.182 4.662 4.480 -0.000 0.000 0.346 62 M C -0.699 175.697 176.300 0.161 0.000 1.112 62 M CA -0.604 54.730 55.300 0.057 0.000 1.021 62 M CB 1.081 33.638 32.600 -0.072 0.000 1.530 62 M HN 0.587 nan 8.290 nan 0.000 0.437 63 Q N 6.423 126.327 119.800 0.174 0.000 2.303 63 Q HA 0.443 4.783 4.340 -0.000 0.000 0.257 63 Q C -2.402 173.679 176.000 0.136 0.000 0.941 63 Q CA -1.554 54.325 55.803 0.128 0.000 0.931 63 Q CB 1.288 30.061 28.738 0.058 0.000 1.215 63 Q HN 0.283 nan 8.270 nan 0.000 0.437 64 P HA 0.029 nan 4.420 nan 0.000 0.271 64 P C -0.448 176.761 177.300 -0.152 0.000 1.220 64 P CA -0.116 62.832 63.100 -0.253 0.000 0.768 64 P CB 0.523 32.149 31.700 -0.123 0.000 0.848 65 T N 0.509 114.944 114.554 -0.200 0.000 2.734 65 T HA -0.028 4.322 4.350 -0.000 0.000 0.314 65 T C 1.642 176.258 174.700 -0.141 0.000 1.057 65 T CA -0.316 61.709 62.100 -0.124 0.000 1.047 65 T CB 0.220 69.022 68.868 -0.110 0.000 0.991 65 T HN 0.400 nan 8.240 nan 0.000 0.540 66 Q N 1.126 120.842 119.800 -0.139 0.000 2.167 66 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 66 Q C 2.151 177.831 176.000 -0.533 0.000 0.970 66 Q CA 0.997 56.670 55.803 -0.216 0.000 0.855 66 Q CB -0.589 28.082 28.738 -0.111 0.000 0.911 66 Q HN 0.653 nan 8.270 nan 0.000 0.438 67 R N 1.572 121.843 120.500 -0.382 0.000 2.115 67 R HA -0.085 4.255 4.340 -0.000 0.000 0.239 67 R C 2.353 178.474 176.300 -0.298 0.000 1.133 67 R CA 1.758 57.643 56.100 -0.358 0.000 0.935 67 R CB -1.447 28.757 30.300 -0.160 0.000 0.853 67 R HN 0.428 nan 8.270 nan 0.000 0.433 68 A N 1.222 123.940 122.820 -0.170 0.000 1.940 68 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 68 A C 2.183 179.782 177.584 0.026 0.000 1.176 68 A CA 1.811 53.853 52.037 0.009 0.000 0.631 68 A CB -0.414 18.507 19.000 -0.131 0.000 0.814 68 A HN 0.328 nan 8.150 nan 0.000 0.446 69 E N -0.500 119.658 120.200 -0.071 0.000 2.058 69 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 69 E C 1.923 178.535 176.600 0.020 0.000 0.997 69 E CA 1.686 58.090 56.400 0.006 0.000 0.801 69 E CB -0.276 29.436 29.700 0.020 0.000 0.746 69 E HN 0.754 nan 8.360 nan 0.000 0.450 70 H N -0.734 118.325 119.070 -0.019 0.000 2.387 70 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 70 H C 1.980 177.268 175.328 -0.068 0.000 1.090 70 H CA 1.227 57.253 56.048 -0.038 0.000 1.332 70 H CB -0.595 29.146 29.762 -0.035 0.000 1.386 70 H HN 0.161 nan 8.280 nan 0.000 0.516 71 L N 0.696 121.929 121.223 0.017 0.000 2.313 71 L HA 0.155 4.495 4.340 -0.000 0.000 0.214 71 L C 2.269 179.105 176.870 -0.057 0.000 1.119 71 L CA 1.200 55.987 54.840 -0.089 0.000 0.809 71 L CB -0.609 41.287 42.059 -0.273 0.000 0.933 71 L HN 0.177 nan 8.230 nan 0.000 0.449 72 A N -0.654 122.138 122.820 -0.046 0.000 1.968 72 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 72 A C 2.411 179.933 177.584 -0.104 0.000 1.169 72 A CA 1.245 53.217 52.037 -0.108 0.000 0.638 72 A CB -0.780 17.527 19.000 -1.155 0.000 0.812 72 A HN 0.495 nan 8.150 nan 0.000 0.446 73 A N 0.088 122.856 122.820 -0.087 0.000 1.873 73 A HA 0.225 4.545 4.320 -0.000 0.000 0.215 73 A C 2.507 180.082 177.584 -0.014 0.000 1.186 73 A CA 1.841 53.859 52.037 -0.031 0.000 0.616 73 A CB -1.065 17.929 19.000 -0.010 0.000 0.823 73 A HN 0.981 nan 8.150 nan 0.000 0.442 74 A N -0.315 122.491 122.820 -0.023 0.000 1.873 74 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 74 A C 2.236 179.805 177.584 -0.024 0.000 1.193 74 A CA 2.109 54.129 52.037 -0.029 0.000 0.629 74 A CB -1.168 17.804 19.000 -0.047 0.000 0.826 74 A HN 0.464 nan 8.150 nan 0.000 0.447 75 V N -0.210 119.693 119.914 -0.017 0.000 2.332 75 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 75 V C 3.034 179.152 176.094 0.040 0.000 1.055 75 V CA 2.076 64.388 62.300 0.020 0.000 1.038 75 V CB -1.317 30.564 31.823 0.097 0.000 0.651 75 V HN 0.647 nan 8.190 nan 0.000 0.450 76 A N -0.110 122.735 122.820 0.042 0.000 1.898 76 A HA -0.052 4.267 4.320 -0.000 0.000 0.216 76 A C 2.426 180.025 177.584 0.025 0.000 1.181 76 A CA 1.937 54.000 52.037 0.042 0.000 0.620 76 A CB -0.732 18.293 19.000 0.043 0.000 0.819 76 A HN 0.562 nan 8.150 nan 0.000 0.442 77 A N -0.064 122.764 122.820 0.012 0.000 1.902 77 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 77 A C 2.506 180.090 177.584 -0.001 0.000 1.181 77 A CA 2.086 54.126 52.037 0.005 0.000 0.623 77 A CB -1.010 17.989 19.000 -0.001 0.000 0.818 77 A HN 1.015 nan 8.150 nan 0.000 0.443 78 A N -0.235 122.581 122.820 -0.007 0.000 1.877 78 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 78 A C 2.165 179.742 177.584 -0.012 0.000 1.186 78 A CA 1.493 53.519 52.037 -0.019 0.000 0.620 78 A CB -0.619 18.361 19.000 -0.032 0.000 0.822 78 A HN 0.464 nan 8.150 nan 0.000 0.443 79 L N -1.231 119.994 121.223 0.003 0.000 2.141 79 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 79 L C 2.805 179.682 176.870 0.011 0.000 1.094 79 L CA 1.572 56.418 54.840 0.010 0.000 0.763 79 L CB -0.468 41.609 42.059 0.031 0.000 0.908 79 L HN 0.482 nan 8.230 nan 0.000 0.437 80 R N 0.360 120.869 120.500 0.014 0.000 2.066 80 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 80 R C 2.381 178.687 176.300 0.010 0.000 1.131 80 R CA 1.413 57.522 56.100 0.015 0.000 0.955 80 R CB -0.195 30.115 30.300 0.017 0.000 0.851 80 R HN 0.307 nan 8.270 nan 0.000 0.432 81 A N 1.216 124.037 122.820 0.003 0.000 1.877 81 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 81 A C 2.213 179.795 177.584 -0.003 0.000 1.186 81 A CA 1.227 53.263 52.037 -0.001 0.000 0.620 81 A CB -0.632 18.363 19.000 -0.008 0.000 0.822 81 A HN 0.351 nan 8.150 nan 0.000 0.443 82 L N -0.782 120.433 121.223 -0.013 0.000 1.989 82 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 82 L C 2.874 179.738 176.870 -0.010 0.000 1.071 82 L CA 1.368 56.193 54.840 -0.025 0.000 0.749 82 L CB -0.953 41.083 42.059 -0.039 0.000 0.890 82 L HN 0.518 nan 8.230 nan 0.000 0.431 83 G N -0.630 108.172 108.800 0.003 0.000 2.442 83 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 83 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 83 G C 1.401 176.324 174.900 0.038 0.000 1.141 83 G CA 0.749 45.860 45.100 0.019 0.000 0.763 83 G HN 0.453 nan 8.290 nan 0.000 0.554 84 E N -0.082 120.138 120.200 0.032 0.000 2.107 84 E HA 0.006 4.356 4.350 -0.000 0.000 0.191 84 E C 2.757 179.391 176.600 0.057 0.000 0.982 84 E CA 0.549 56.972 56.400 0.038 0.000 0.809 84 E CB -0.236 29.479 29.700 0.024 0.000 0.756 84 E HN 0.395 nan 8.360 nan 0.000 0.459 85 G N 0.822 109.656 108.800 0.058 0.000 2.448 85 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.218 85 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.218 85 G C 1.415 176.433 174.900 0.197 0.000 1.135 85 G CA 0.173 45.331 45.100 0.096 0.000 0.784 85 G HN 0.092 nan 8.290 nan 0.000 0.543 86 L N 0.309 121.621 121.223 0.148 0.000 2.592 86 L HA 0.174 4.514 4.340 -0.000 0.000 0.227 86 L C 2.229 179.305 176.870 0.344 0.000 1.127 86 L CA -0.097 54.888 54.840 0.242 0.000 0.884 86 L CB 0.098 42.159 42.059 0.002 0.000 1.065 86 L HN 0.067 nan 8.230 nan 0.000 0.457 87 E N 0.421 120.743 120.200 0.205 0.000 2.085 87 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 87 E C 1.826 178.502 176.600 0.128 0.000 0.994 87 E CA 0.759 57.242 56.400 0.138 0.000 0.801 87 E CB 0.023 29.763 29.700 0.067 0.000 0.743 87 E HN 0.288 nan 8.360 nan 0.000 0.453 88 E N -0.107 120.155 120.200 0.103 0.000 2.233 88 E HA -0.223 4.127 4.350 -0.000 0.000 0.210 88 E C 1.553 178.039 176.600 -0.190 0.000 1.046 88 E CA 1.050 57.386 56.400 -0.107 0.000 0.844 88 E CB -0.200 29.361 29.700 -0.232 0.000 0.741 88 E HN 0.491 nan 8.360 nan 0.000 0.465 89 W N 0.578 121.873 121.300 -0.008 0.000 3.114 89 W HA 0.107 4.767 4.660 -0.000 0.000 0.279 89 W C 0.979 177.509 176.519 0.018 0.000 1.277 89 W CA -0.542 56.805 57.345 0.004 0.000 1.630 89 W CB 0.032 29.492 29.460 0.000 0.000 1.087 89 W HN -0.086 nan 8.180 nan 0.000 0.637 90 R N 2.378 122.998 120.500 0.200 0.000 2.458 90 R HA 0.065 4.405 4.340 -0.000 0.000 0.303 90 R C -2.228 174.142 176.300 0.116 0.000 1.013 90 R CA -1.078 55.103 56.100 0.135 0.000 1.026 90 R CB 0.182 30.547 30.300 0.109 0.000 0.948 90 R HN -0.290 nan 8.270 nan 0.000 0.417 91 P HA -0.092 nan 4.420 nan 0.000 0.264 91 P C -0.953 176.411 177.300 0.107 0.000 1.193 91 P CA 0.130 63.284 63.100 0.091 0.000 0.763 91 P CB 0.210 31.943 31.700 0.055 0.000 0.810 92 F N 5.624 125.561 119.950 -0.021 0.000 2.438 92 F HA 0.286 4.813 4.527 -0.000 0.000 0.360 92 F C -0.003 175.739 175.800 -0.096 0.000 1.118 92 F CA -0.538 57.430 58.000 -0.054 0.000 1.164 92 F CB 0.250 39.232 39.000 -0.030 0.000 1.131 92 F HN 0.066 nan 8.300 nan 0.000 0.527 93 V N 7.380 126.858 119.914 -0.728 0.000 2.326 93 V HA 0.451 4.571 4.120 -0.000 0.000 0.281 93 V C -2.164 173.366 176.094 -0.941 0.000 1.015 93 V CA -2.083 59.806 62.300 -0.686 0.000 0.823 93 V CB 1.321 32.956 31.823 -0.314 0.000 1.009 93 V HN 0.537 nan 8.190 nan 0.000 0.436 94 P HA -0.110 nan 4.420 nan 0.000 0.215 94 P C 1.734 178.756 177.300 -0.463 0.000 1.163 94 P CA 2.407 64.921 63.100 -0.977 0.000 0.894 94 P CB 0.013 31.293 31.700 -0.700 0.000 0.791 95 G N -0.976 107.652 108.800 -0.285 0.000 2.470 95 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 95 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 95 G C 1.404 176.221 174.900 -0.138 0.000 1.121 95 G CA 0.681 45.694 45.100 -0.145 0.000 0.766 95 G HN 0.291 nan 8.290 nan 0.000 0.553 96 Q N -0.378 119.302 119.800 -0.200 0.000 2.245 96 Q HA 0.180 4.520 4.340 -0.000 0.000 0.250 96 Q C 1.177 177.093 176.000 -0.141 0.000 0.830 96 Q CA -0.109 55.611 55.803 -0.140 0.000 0.950 96 Q CB 0.211 28.877 28.738 -0.121 0.000 1.124 96 Q HN 0.325 nan 8.270 nan 0.000 0.502 97 S N 1.427 116.985 115.700 -0.236 0.000 2.558 97 S HA -0.052 4.418 4.470 -0.000 0.000 0.287 97 S C 0.779 175.363 174.600 -0.027 0.000 1.321 97 S CA 0.503 58.610 58.200 -0.156 0.000 1.048 97 S CB 0.420 63.469 63.200 -0.252 0.000 0.844 97 S HN 0.113 nan 8.310 nan 0.000 0.512 98 Q N 1.820 121.636 119.800 0.027 0.000 2.139 98 Q HA 0.116 4.455 4.340 -0.000 0.000 0.219 98 Q C 0.227 176.268 176.000 0.067 0.000 0.805 98 Q CA -0.129 55.701 55.803 0.045 0.000 1.024 98 Q CB 0.414 29.168 28.738 0.026 0.000 1.163 98 Q HN 0.816 nan 8.270 nan 0.000 0.485 99 R N -0.001 120.553 120.500 0.091 0.000 2.679 99 R HA 0.413 4.753 4.340 -0.000 0.000 0.269 99 R C -0.551 175.772 176.300 0.039 0.000 1.076 99 R CA 0.131 56.239 56.100 0.013 0.000 1.160 99 R CB 0.270 30.507 30.300 -0.105 0.000 1.054 99 R HN -0.319 nan 8.270 nan 0.000 0.507 100 T N 2.587 117.111 114.554 -0.049 0.000 2.770 100 T HA 0.352 4.702 4.350 -0.000 0.000 0.283 100 T C -0.845 173.809 174.700 -0.077 0.000 0.988 100 T CA -0.394 61.738 62.100 0.052 0.000 0.957 100 T CB 0.308 69.211 68.868 0.059 0.000 0.930 100 T HN 0.312 nan 8.240 nan 0.000 0.443 101 F N 2.249 122.318 119.950 0.198 0.000 2.410 101 F HA 0.456 4.983 4.527 -0.000 0.000 0.348 101 F C 0.363 176.313 175.800 0.249 0.000 1.106 101 F CA -0.824 57.303 58.000 0.211 0.000 1.163 101 F CB 0.904 40.113 39.000 0.348 0.000 1.129 101 F HN 0.169 nan 8.300 nan 0.000 0.516 102 V N 5.057 125.119 119.914 0.246 0.000 2.384 102 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 102 V C -0.491 175.721 176.094 0.197 0.000 1.020 102 V CA -0.887 61.552 62.300 0.231 0.000 0.850 102 V CB 0.876 32.767 31.823 0.114 0.000 0.987 102 V HN 0.509 nan 8.190 nan 0.000 0.436 103 F N 2.409 122.480 119.950 0.202 0.000 2.508 103 F HA 0.782 5.309 4.527 -0.000 0.000 0.325 103 F C 0.524 176.436 175.800 0.187 0.000 1.090 103 F CA -0.775 57.354 58.000 0.216 0.000 0.945 103 F CB 1.897 40.995 39.000 0.162 0.000 1.156 103 F HN 0.528 nan 8.300 nan 0.000 0.463 104 A N 2.152 125.205 122.820 0.388 0.000 2.290 104 A HA 0.901 5.221 4.320 -0.000 0.000 0.310 104 A C -0.661 177.155 177.584 0.386 0.000 1.202 104 A CA -0.046 52.187 52.037 0.327 0.000 0.837 104 A CB 0.523 19.691 19.000 0.279 0.000 1.139 104 A HN 1.033 nan 8.150 nan 0.000 0.509 105 A N 1.370 124.396 122.820 0.342 0.000 2.581 105 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 105 A C -0.085 177.638 177.584 0.232 0.000 1.119 105 A CA 0.092 52.317 52.037 0.312 0.000 0.670 105 A CB 0.696 19.832 19.000 0.228 0.000 1.280 105 A HN 1.770 nan 8.150 nan 0.000 0.425 106 T N -2.255 112.404 114.554 0.175 0.000 2.905 106 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 106 T C 0.726 175.476 174.700 0.083 0.000 1.031 106 T CA 0.340 62.461 62.100 0.035 0.000 1.002 106 T CB 1.282 70.099 68.868 -0.084 0.000 1.200 106 T HN 0.818 nan 8.240 nan 0.000 0.560 107 D N -0.313 120.122 120.400 0.058 0.000 2.144 107 D HA -0.239 4.400 4.640 -0.000 0.000 0.199 107 D C 1.558 177.977 176.300 0.198 0.000 0.984 107 D CA 1.472 55.536 54.000 0.105 0.000 0.834 107 D CB -0.570 40.272 40.800 0.071 0.000 0.955 107 D HN 0.571 nan 8.370 nan 0.000 0.465 108 Y N 2.287 122.642 120.300 0.092 0.000 2.145 108 Y HA -0.176 4.373 4.550 -0.000 0.000 0.286 108 Y C 2.652 178.745 175.900 0.321 0.000 1.145 108 Y CA 2.908 61.115 58.100 0.179 0.000 1.148 108 Y CB -0.801 37.722 38.460 0.106 0.000 0.981 108 Y HN 0.189 nan 8.280 nan 0.000 0.507 109 T N -1.851 112.741 114.554 0.064 0.000 2.942 109 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 109 T C 2.128 176.875 174.700 0.078 0.000 1.062 109 T CA 0.863 63.015 62.100 0.088 0.000 1.139 109 T CB -0.917 68.148 68.868 0.329 0.000 0.883 109 T HN 0.317 nan 8.240 nan 0.000 0.468 110 A N 1.511 124.376 122.820 0.076 0.000 1.877 110 A HA 0.057 4.377 4.320 -0.000 0.000 0.216 110 A C 2.034 179.627 177.584 0.015 0.000 1.186 110 A CA 1.578 53.624 52.037 0.016 0.000 0.620 110 A CB -1.212 17.819 19.000 0.051 0.000 0.822 110 A HN 0.566 nan 8.150 nan 0.000 0.443 111 F N 1.074 120.996 119.950 -0.047 0.000 2.126 111 F HA -0.089 4.437 4.527 -0.000 0.000 0.299 111 F C 2.361 178.128 175.800 -0.056 0.000 1.096 111 F CA 1.497 59.477 58.000 -0.035 0.000 1.255 111 F CB -0.379 38.639 39.000 0.030 0.000 0.997 111 F HN 0.232 nan 8.300 nan 0.000 0.479 112 A N 0.599 123.263 122.820 -0.261 0.000 1.930 112 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 112 A C 2.335 179.798 177.584 -0.202 0.000 1.176 112 A CA 1.396 53.232 52.037 -0.335 0.000 0.632 112 A CB -0.923 17.902 19.000 -0.293 0.000 0.819 112 A HN 0.554 nan 8.150 nan 0.000 0.445 113 L N -0.654 120.482 121.223 -0.146 0.000 2.145 113 L HA 0.063 4.402 4.340 -0.000 0.000 0.201 113 L C 2.375 179.013 176.870 -0.387 0.000 1.075 113 L CA 0.956 55.551 54.840 -0.408 0.000 0.773 113 L CB -0.362 41.269 42.059 -0.714 0.000 0.936 113 L HN 0.370 nan 8.230 nan 0.000 0.451 114 L N 0.198 121.231 121.223 -0.317 0.000 2.046 114 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 114 L C -0.190 176.549 176.870 -0.219 0.000 1.077 114 L CA 1.267 55.945 54.840 -0.270 0.000 0.747 114 L CB -1.903 40.041 42.059 -0.192 0.000 0.896 114 L HN 0.235 nan 8.230 nan 0.000 0.432 115 P HA -0.140 nan 4.420 nan 0.000 0.214 115 P C -1.367 175.837 177.300 -0.159 0.000 1.163 115 P CA 1.696 64.693 63.100 -0.171 0.000 0.889 115 P CB -1.054 30.524 31.700 -0.204 0.000 0.790 116 P HA -0.075 nan 4.420 nan 0.000 0.220 116 P C 1.820 179.020 177.300 -0.167 0.000 1.152 116 P CA 1.102 64.109 63.100 -0.155 0.000 0.812 116 P CB -0.272 31.331 31.700 -0.162 0.000 0.792 117 L N -0.926 120.160 121.223 -0.228 0.000 2.005 117 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 117 L C 2.281 179.045 176.870 -0.177 0.000 1.072 117 L CA 1.715 56.404 54.840 -0.253 0.000 0.744 117 L CB -0.488 41.353 42.059 -0.364 0.000 0.895 117 L HN -0.067 nan 8.230 nan 0.000 0.433 118 M N -0.818 118.687 119.600 -0.160 0.000 2.394 118 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 118 M C 1.788 178.033 176.300 -0.092 0.000 1.073 118 M CA 1.040 56.274 55.300 -0.111 0.000 1.111 118 M CB -1.796 30.743 32.600 -0.103 0.000 1.401 118 M HN 0.314 nan 8.290 nan 0.000 0.448 119 N N 1.035 119.686 118.700 -0.082 0.000 2.104 119 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 119 N C 1.843 177.363 175.510 0.017 0.000 1.024 119 N CA 1.586 54.612 53.050 -0.040 0.000 0.853 119 N CB -0.015 38.453 38.487 -0.030 0.000 1.008 119 N HN 0.355 nan 8.380 nan 0.000 0.424 120 R N 0.110 120.610 120.500 0.000 0.000 2.052 120 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 120 R C 2.138 178.470 176.300 0.052 0.000 1.145 120 R CA 1.011 57.139 56.100 0.048 0.000 0.952 120 R CB -0.413 29.877 30.300 -0.016 0.000 0.847 120 R HN 0.264 nan 8.270 nan 0.000 0.431 121 L N 1.830 123.058 121.223 0.008 0.000 2.127 121 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 121 L C 2.783 179.663 176.870 0.017 0.000 1.089 121 L CA 1.646 56.522 54.840 0.060 0.000 0.757 121 L CB -0.804 41.302 42.059 0.078 0.000 0.899 121 L HN 0.466 nan 8.230 nan 0.000 0.434 122 Q N -0.705 119.042 119.800 -0.088 0.000 2.248 122 Q HA -0.245 4.094 4.340 -0.000 0.000 0.208 122 Q C 1.676 177.529 176.000 -0.244 0.000 0.984 122 Q CA 1.669 57.357 55.803 -0.191 0.000 0.875 122 Q CB -0.262 28.293 28.738 -0.305 0.000 0.910 122 Q HN 0.595 nan 8.270 nan 0.000 0.433 123 H N 0.474 119.559 119.070 0.026 0.000 2.379 123 H HA 0.094 4.650 4.556 -0.000 0.000 0.308 123 H C 2.505 177.853 175.328 0.034 0.000 1.047 123 H CA 1.557 57.618 56.048 0.022 0.000 1.371 123 H CB -0.009 29.761 29.762 0.014 0.000 1.449 123 H HN 0.489 nan 8.280 nan 0.000 0.564 124 S N 0.422 116.228 115.700 0.176 0.000 2.461 124 S HA 0.226 4.696 4.470 -0.000 0.000 0.228 124 S C 1.278 175.953 174.600 0.125 0.000 1.005 124 S CA 0.418 58.708 58.200 0.150 0.000 0.942 124 S CB 0.249 63.555 63.200 0.176 0.000 0.776 124 S HN 0.366 nan 8.310 nan 0.000 0.514 125 A N 1.599 124.489 122.820 0.116 0.000 3.453 125 A HA 0.582 4.902 4.320 -0.000 0.000 0.262 125 A C -2.199 175.420 177.584 0.058 0.000 1.026 125 A CA -0.887 51.194 52.037 0.073 0.000 0.938 125 A CB 0.603 19.703 19.000 0.165 0.000 1.246 125 A HN 0.280 nan 8.150 nan 0.000 0.546 126 P HA -0.009 nan 4.420 nan 0.000 0.230 126 P C 1.231 178.544 177.300 0.021 0.000 1.158 126 P CA 1.682 64.791 63.100 0.016 0.000 0.769 126 P CB 0.206 31.911 31.700 0.009 0.000 0.807 127 G N -0.749 108.065 108.800 0.023 0.000 3.126 127 G HA2 0.134 4.093 3.960 -0.000 0.000 0.224 127 G HA3 0.134 4.093 3.960 -0.000 0.000 0.224 127 G C 0.204 175.148 174.900 0.075 0.000 1.142 127 G CA 0.041 45.161 45.100 0.033 0.000 0.759 127 G HN 0.111 nan 8.290 nan 0.000 0.550 128 V N 1.159 121.141 119.914 0.113 0.000 2.555 128 V HA 0.380 4.500 4.120 -0.000 0.000 0.286 128 V C 0.292 176.513 176.094 0.211 0.000 1.044 128 V CA -0.150 62.285 62.300 0.224 0.000 1.026 128 V CB 0.953 32.971 31.823 0.324 0.000 0.981 128 V HN 0.284 nan 8.190 nan 0.000 0.480 129 R N 3.899 124.545 120.500 0.244 0.000 2.787 129 R HA 0.780 5.120 4.340 -0.000 0.000 0.271 129 R C -1.471 175.000 176.300 0.285 0.000 0.993 129 R CA -0.699 55.522 56.100 0.200 0.000 0.993 129 R CB 1.585 31.970 30.300 0.142 0.000 1.155 129 R HN 0.467 nan 8.270 nan 0.000 0.486 130 L N 0.991 122.344 121.223 0.217 0.000 2.362 130 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 130 L C -0.562 176.427 176.870 0.199 0.000 1.002 130 L CA -0.370 54.627 54.840 0.262 0.000 0.818 130 L CB 1.807 43.961 42.059 0.158 0.000 1.298 130 L HN 0.382 nan 8.230 nan 0.000 0.420 131 R N 3.032 123.685 120.500 0.255 0.000 2.409 131 R HA 0.606 4.946 4.340 -0.000 0.000 0.313 131 R C -1.796 174.645 176.300 0.235 0.000 0.953 131 R CA -0.777 55.439 56.100 0.193 0.000 0.849 131 R CB 1.215 31.611 30.300 0.160 0.000 1.171 131 R HN 0.436 nan 8.270 nan 0.000 0.458 132 L N 4.642 125.967 121.223 0.171 0.000 2.317 132 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 132 L C -0.327 176.636 176.870 0.155 0.000 1.024 132 L CA -0.624 54.325 54.840 0.183 0.000 0.810 132 L CB 1.910 44.038 42.059 0.115 0.000 1.240 132 L HN 0.369 nan 8.230 nan 0.000 0.427 133 V N -0.195 119.825 119.914 0.177 0.000 2.823 133 V HA 0.645 4.765 4.120 -0.000 0.000 0.312 133 V C -0.379 175.810 176.094 0.158 0.000 1.072 133 V CA -0.952 61.435 62.300 0.147 0.000 0.937 133 V CB 1.991 33.897 31.823 0.138 0.000 1.013 133 V HN 0.650 nan 8.190 nan 0.000 0.430 134 N N 2.945 121.722 118.700 0.128 0.000 2.399 134 N HA 0.549 5.289 4.740 -0.000 0.000 0.259 134 N C 0.147 175.761 175.510 0.174 0.000 1.160 134 N CA 0.359 53.489 53.050 0.134 0.000 0.946 134 N CB 1.442 39.980 38.487 0.085 0.000 1.156 134 N HN 1.129 nan 8.380 nan 0.000 0.489 135 A N 1.877 124.850 122.820 0.254 0.000 2.279 135 A HA 0.265 4.584 4.320 -0.000 0.000 0.303 135 A C 1.135 178.906 177.584 0.313 0.000 1.108 135 A CA -0.482 51.702 52.037 0.245 0.000 0.830 135 A CB 0.797 19.938 19.000 0.236 0.000 1.106 135 A HN 0.575 nan 8.150 nan 0.000 0.493 136 E N 0.193 120.514 120.200 0.203 0.000 2.274 136 E HA -0.076 4.273 4.350 -0.000 0.000 0.194 136 E C 0.426 177.138 176.600 0.187 0.000 0.996 136 E CA 0.837 57.356 56.400 0.198 0.000 0.840 136 E CB 0.002 29.766 29.700 0.107 0.000 0.772 136 E HN 0.679 nan 8.360 nan 0.000 0.491 137 R N -0.440 120.070 120.500 0.016 0.000 2.817 137 R HA 0.374 4.714 4.340 -0.000 0.000 0.268 137 R C 0.620 176.494 176.300 -0.710 0.000 1.027 137 R CA -0.742 55.107 56.100 -0.419 0.000 0.928 137 R CB 1.045 31.162 30.300 -0.306 0.000 1.228 137 R HN -0.273 nan 8.270 nan 0.000 0.469 138 K N 0.258 119.798 120.400 -1.434 0.000 2.074 138 K HA -0.028 4.292 4.320 -0.000 0.000 0.209 138 K C 0.127 176.473 176.600 -0.424 0.000 1.048 138 K CA 1.543 57.196 56.287 -1.056 0.000 0.926 138 K CB 0.012 31.782 32.500 -1.216 0.000 0.713 138 K HN 0.550 nan 8.250 nan 0.000 0.444 139 L N 1.116 122.092 121.223 -0.411 0.000 2.529 139 L HA 0.184 4.524 4.340 -0.000 0.000 0.258 139 L C -1.337 175.421 176.870 -0.187 0.000 1.032 139 L CA -0.483 54.173 54.840 -0.307 0.000 0.899 139 L CB 1.705 43.500 42.059 -0.440 0.000 1.174 139 L HN 0.022 nan 8.230 nan 0.000 0.458 140 S N 2.796 118.437 115.700 -0.099 0.000 2.512 140 S HA 0.085 4.554 4.470 -0.000 0.000 0.291 140 S C 1.050 175.644 174.600 -0.010 0.000 1.151 140 S CA -0.338 57.831 58.200 -0.052 0.000 1.120 140 S CB 1.372 64.557 63.200 -0.026 0.000 1.029 140 S HN 0.546 nan 8.310 nan 0.000 0.485 141 V N 5.259 125.172 119.914 -0.002 0.000 2.453 141 V HA -0.219 3.900 4.120 -0.000 0.000 0.252 141 V C 1.965 178.108 176.094 0.081 0.000 1.068 141 V CA 2.777 65.117 62.300 0.068 0.000 1.070 141 V CB -0.657 31.200 31.823 0.057 0.000 0.664 141 V HN 0.959 nan 8.190 nan 0.000 0.461 142 E N 1.121 121.337 120.200 0.027 0.000 2.049 142 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 142 E C 2.328 178.919 176.600 -0.014 0.000 1.007 142 E CA 1.620 58.022 56.400 0.003 0.000 0.809 142 E CB -0.612 29.086 29.700 -0.002 0.000 0.749 142 E HN 0.703 nan 8.360 nan 0.000 0.450 143 A N 1.263 124.082 122.820 -0.002 0.000 1.929 143 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 143 A C 2.262 179.833 177.584 -0.021 0.000 1.176 143 A CA 0.790 52.824 52.037 -0.006 0.000 0.628 143 A CB -0.549 18.461 19.000 0.016 0.000 0.816 143 A HN 0.113 nan 8.150 nan 0.000 0.444 144 L N -0.627 120.597 121.223 0.002 0.000 1.994 144 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 144 L C 3.152 179.948 176.870 -0.123 0.000 1.071 144 L CA 1.204 56.046 54.840 0.003 0.000 0.745 144 L CB -0.840 41.287 42.059 0.114 0.000 0.892 144 L HN 0.428 nan 8.230 nan 0.000 0.431 145 A N 0.530 123.200 122.820 -0.250 0.000 1.859 145 A HA -0.287 4.032 4.320 -0.000 0.000 0.218 145 A C 2.470 179.853 177.584 -0.336 0.000 1.209 145 A CA 2.682 54.346 52.037 -0.621 0.000 0.639 145 A CB -1.092 17.634 19.000 -0.457 0.000 0.835 145 A HN 0.499 nan 8.150 nan 0.000 0.450 146 S N -0.926 114.661 115.700 -0.188 0.000 2.423 146 S HA 0.041 4.511 4.470 -0.000 0.000 0.238 146 S C 1.708 176.233 174.600 -0.126 0.000 1.028 146 S CA 1.556 59.681 58.200 -0.125 0.000 1.000 146 S CB -1.058 62.098 63.200 -0.073 0.000 0.797 146 S HN 2.042 nan 8.310 nan 0.000 0.487 147 G N 1.291 110.009 108.800 -0.137 0.000 2.203 147 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 147 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 147 G C 0.699 175.554 174.900 -0.074 0.000 1.012 147 G CA 0.642 45.670 45.100 -0.119 0.000 0.749 147 G HN 0.504 nan 8.290 nan 0.000 0.512 148 R N -0.953 119.516 120.500 -0.052 0.000 2.148 148 R HA 0.216 4.556 4.340 -0.000 0.000 0.227 148 R C 0.861 177.157 176.300 -0.007 0.000 1.103 148 R CA 0.969 57.056 56.100 -0.022 0.000 0.983 148 R CB 0.001 30.296 30.300 -0.009 0.000 0.874 148 R HN 0.535 nan 8.270 nan 0.000 0.451 149 I N 0.158 120.719 120.570 -0.015 0.000 2.466 149 I HA 0.056 4.226 4.170 -0.000 0.000 0.289 149 I C 0.062 176.134 176.117 -0.074 0.000 1.026 149 I CA -0.589 60.707 61.300 -0.007 0.000 1.078 149 I CB 2.263 40.284 38.000 0.036 0.000 1.249 149 I HN -0.023 nan 8.210 nan 0.000 0.429 150 D N 5.217 125.523 120.400 -0.156 0.000 2.123 150 D HA 0.031 4.671 4.640 -0.000 0.000 0.200 150 D C -0.154 175.665 176.300 -0.802 0.000 0.976 150 D CA 1.883 55.620 54.000 -0.438 0.000 0.831 150 D CB 0.336 40.827 40.800 -0.516 0.000 0.974 150 D HN 0.198 nan 8.370 nan 0.000 0.469 151 F N -0.887 118.888 119.950 -0.291 0.000 2.662 151 F HA 0.549 5.076 4.527 -0.000 0.000 0.312 151 F C -0.525 175.283 175.800 0.013 0.000 1.113 151 F CA -1.165 56.696 58.000 -0.231 0.000 0.951 151 F CB 1.918 40.535 39.000 -0.637 0.000 1.344 151 F HN -0.264 nan 8.300 nan 0.000 0.462 152 A N 1.643 124.727 122.820 0.441 0.000 2.454 152 A HA 0.939 5.259 4.320 -0.000 0.000 0.302 152 A C -1.775 176.195 177.584 0.642 0.000 1.079 152 A CA -0.670 51.649 52.037 0.471 0.000 0.731 152 A CB 1.526 20.721 19.000 0.324 0.000 1.299 152 A HN 0.703 nan 8.150 nan 0.000 0.413 153 L N 0.955 122.549 121.223 0.619 0.000 2.354 153 L HA 0.892 5.232 4.340 -0.000 0.000 0.269 153 L C 0.602 177.889 176.870 0.696 0.000 1.005 153 L CA -0.343 54.895 54.840 0.664 0.000 0.819 153 L CB 2.230 44.629 42.059 0.567 0.000 1.311 153 L HN 1.147 nan 8.230 nan 0.000 0.423 154 G N 0.734 109.964 108.800 0.717 0.000 2.336 154 G HA2 0.299 4.259 3.960 -0.000 0.000 0.286 154 G HA3 0.299 4.259 3.960 -0.000 0.000 0.286 154 G C -2.275 172.981 174.900 0.593 0.000 1.269 154 G CA -0.491 44.994 45.100 0.641 0.000 0.873 154 G HN 0.607 nan 8.290 nan 0.000 0.494 155 Y N -0.634 119.913 120.300 0.412 0.000 2.605 155 Y HA 0.782 5.332 4.550 -0.000 0.000 0.343 155 Y C -1.071 175.001 175.900 0.287 0.000 1.036 155 Y CA -1.470 56.815 58.100 0.308 0.000 1.065 155 Y CB 1.685 40.311 38.460 0.276 0.000 1.288 155 Y HN 0.343 nan 8.280 nan 0.000 0.481 156 D N 1.899 122.555 120.400 0.426 0.000 2.277 156 D HA 0.087 4.727 4.640 -0.000 0.000 0.249 156 D C -0.877 175.568 176.300 0.241 0.000 1.134 156 D CA -0.210 53.944 54.000 0.257 0.000 0.863 156 D CB 1.685 42.616 40.800 0.218 0.000 1.143 156 D HN 0.731 nan 8.370 nan 0.000 0.458 157 E N 2.518 122.785 120.200 0.111 0.000 1.932 157 E HA 0.030 4.379 4.350 -0.000 0.000 0.275 157 E C -0.390 176.253 176.600 0.072 0.000 1.159 157 E CA -0.266 56.195 56.400 0.101 0.000 0.905 157 E CB -0.124 29.593 29.700 0.029 0.000 1.059 157 E HN 0.493 nan 8.360 nan 0.000 0.400 158 E N 3.328 123.543 120.200 0.024 0.000 2.811 158 E HA -0.270 4.080 4.350 -0.000 0.000 0.150 158 E C -1.443 175.278 176.600 0.202 0.000 1.823 158 E CA 0.624 57.038 56.400 0.024 0.000 0.661 158 E CB -1.477 28.256 29.700 0.056 0.000 1.086 158 E HN 0.619 nan 8.360 nan 0.000 0.354 159 H N 2.846 121.948 119.070 0.053 0.000 2.787 159 H HA 0.138 4.694 4.556 -0.000 0.000 0.275 159 H C 0.146 175.510 175.328 0.060 0.000 1.183 159 H CA -0.823 55.266 56.048 0.068 0.000 1.290 159 H CB 0.476 30.270 29.762 0.052 0.000 1.438 159 H HN 0.476 nan 8.280 nan 0.000 0.487 160 E N 2.689 122.977 120.200 0.147 0.000 2.653 160 E HA -0.119 4.231 4.350 -0.000 0.000 0.264 160 E C 0.557 177.212 176.600 0.092 0.000 0.949 160 E CA 0.448 56.904 56.400 0.093 0.000 0.953 160 E CB 0.974 30.711 29.700 0.061 0.000 0.925 160 E HN 0.445 nan 8.360 nan 0.000 0.475 161 R N 3.751 124.285 120.500 0.057 0.000 2.389 161 R HA 0.118 4.458 4.340 -0.000 0.000 0.295 161 R C -0.411 175.909 176.300 0.034 0.000 1.075 161 R CA -0.462 55.664 56.100 0.044 0.000 1.005 161 R CB 0.383 30.698 30.300 0.024 0.000 0.987 161 R HN 0.474 nan 8.270 nan 0.000 0.452 162 L N 7.075 128.325 121.223 0.046 0.000 2.410 162 L HA 0.208 4.548 4.340 -0.000 0.000 0.273 162 L C -1.627 175.244 176.870 0.003 0.000 1.152 162 L CA -1.776 53.088 54.840 0.040 0.000 0.855 162 L CB 0.658 42.759 42.059 0.070 0.000 1.129 162 L HN 0.586 nan 8.230 nan 0.000 0.463 163 P HA 0.020 nan 4.420 nan 0.000 0.271 163 P C -0.485 176.792 177.300 -0.039 0.000 1.244 163 P CA -0.390 62.690 63.100 -0.034 0.000 0.793 163 P CB 0.465 32.135 31.700 -0.050 0.000 0.984 164 E N 0.082 120.257 120.200 -0.042 0.000 2.316 164 E HA 0.287 4.637 4.350 -0.000 0.000 0.275 164 E C 0.981 177.514 176.600 -0.112 0.000 1.029 164 E CA 0.615 56.982 56.400 -0.055 0.000 0.871 164 E CB -0.027 29.653 29.700 -0.033 0.000 1.022 164 E HN 0.742 nan 8.360 nan 0.000 0.418 165 G N 4.032 112.734 108.800 -0.164 0.000 2.225 165 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 165 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 165 G C 0.140 174.784 174.900 -0.427 0.000 0.988 165 G CA 0.054 44.922 45.100 -0.386 0.000 0.625 165 G HN 0.451 nan 8.290 nan 0.000 0.527 166 I N 2.220 122.680 120.570 -0.184 0.000 2.342 166 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 166 I C 0.715 176.844 176.117 0.019 0.000 1.010 166 I CA -1.085 60.184 61.300 -0.052 0.000 1.308 166 I CB 0.917 38.927 38.000 0.016 0.000 1.400 166 I HN 0.571 nan 8.210 nan 0.000 0.488 167 Q N 5.296 125.137 119.800 0.068 0.000 2.297 167 Q HA 0.930 5.269 4.340 -0.000 0.000 0.268 167 Q C -1.300 174.775 176.000 0.125 0.000 1.045 167 Q CA -1.105 54.737 55.803 0.065 0.000 0.861 167 Q CB 2.658 31.429 28.738 0.055 0.000 1.344 167 Q HN 0.634 nan 8.270 nan 0.000 0.452 168 A N 1.498 124.300 122.820 -0.029 0.000 2.435 168 A HA 0.674 4.993 4.320 -0.000 0.000 0.304 168 A C -1.815 175.591 177.584 -0.297 0.000 1.064 168 A CA -0.659 51.323 52.037 -0.093 0.000 0.727 168 A CB 1.397 20.337 19.000 -0.100 0.000 1.284 168 A HN 0.846 nan 8.150 nan 0.000 0.415 169 H N 0.773 119.839 119.070 -0.007 0.000 2.689 169 H HA 0.383 4.939 4.556 -0.000 0.000 0.346 169 H C -1.239 174.137 175.328 0.080 0.000 1.037 169 H CA -0.489 55.582 56.048 0.038 0.000 1.234 169 H CB 1.488 31.279 29.762 0.048 0.000 1.572 169 H HN 0.609 nan 8.280 nan 0.000 0.524 170 D N 2.738 123.230 120.400 0.153 0.000 2.389 170 D HA -0.041 4.599 4.640 -0.000 0.000 0.247 170 D C 0.607 177.032 176.300 0.208 0.000 1.128 170 D CA -0.084 53.976 54.000 0.101 0.000 0.884 170 D CB 0.886 41.698 40.800 0.019 0.000 1.194 170 D HN 0.753 nan 8.370 nan 0.000 0.441 171 W N 1.822 123.142 121.300 0.032 0.000 2.592 171 W HA 0.304 4.964 4.660 -0.000 0.000 0.306 171 W C -0.798 175.796 176.519 0.125 0.000 0.991 171 W CA -0.467 56.897 57.345 0.032 0.000 1.430 171 W CB 0.186 29.630 29.460 -0.026 0.000 1.017 171 W HN 0.144 nan 8.180 nan 0.000 0.557 172 F N 2.305 121.994 119.950 -0.436 0.000 2.749 172 F HA 0.630 5.157 4.527 -0.000 0.000 0.339 172 F C -1.153 174.382 175.800 -0.442 0.000 1.211 172 F CA -1.556 56.185 58.000 -0.431 0.000 1.099 172 F CB 0.689 39.309 39.000 -0.633 0.000 1.359 172 F HN 0.004 nan 8.300 nan 0.000 0.549 173 A N 4.231 126.577 122.820 -0.791 0.000 2.290 173 A HA 0.679 4.999 4.320 -0.000 0.000 0.310 173 A C -1.013 175.735 177.584 -1.394 0.000 1.202 173 A CA -0.070 51.431 52.037 -0.895 0.000 0.837 173 A CB 0.886 19.585 19.000 -0.501 0.000 1.139 173 A HN 0.762 nan 8.150 nan 0.000 0.509 174 D N -0.139 119.352 120.400 -1.515 0.000 2.664 174 D HA 0.606 5.245 4.640 -0.000 0.000 0.292 174 D C -0.439 175.293 176.300 -0.947 0.000 1.214 174 D CA -0.452 52.786 54.000 -1.270 0.000 0.932 174 D CB 1.213 41.290 40.800 -1.204 0.000 1.420 174 D HN 0.704 nan 8.370 nan 0.000 0.471 175 R N -0.342 119.923 120.500 -0.391 0.000 2.888 175 R HA 0.595 4.935 4.340 -0.000 0.000 0.266 175 R C -0.995 175.390 176.300 0.141 0.000 1.020 175 R CA -0.828 55.237 56.100 -0.059 0.000 0.963 175 R CB 0.630 30.885 30.300 -0.075 0.000 1.197 175 R HN 0.268 nan 8.270 nan 0.000 0.481 176 Y N 0.377 120.718 120.300 0.069 0.000 2.301 176 Y HA 0.390 4.940 4.550 -0.000 0.000 0.325 176 Y C 0.595 176.479 175.900 -0.027 0.000 1.203 176 Y CA -0.120 57.997 58.100 0.027 0.000 1.255 176 Y CB 1.784 40.245 38.460 0.002 0.000 1.232 176 Y HN 0.500 nan 8.280 nan 0.000 0.501 177 V N -0.165 119.809 119.914 0.100 0.000 3.141 177 V HA 0.759 4.879 4.120 -0.000 0.000 0.312 177 V C -1.092 175.066 176.094 0.106 0.000 1.157 177 V CA -1.200 61.133 62.300 0.056 0.000 1.041 177 V CB 1.597 33.426 31.823 0.010 0.000 1.071 177 V HN 0.370 nan 8.190 nan 0.000 0.441 178 V N 1.746 121.737 119.914 0.129 0.000 2.427 178 V HA 0.592 4.712 4.120 -0.000 0.000 0.286 178 V C -0.112 176.101 176.094 0.197 0.000 1.034 178 V CA -0.313 62.126 62.300 0.232 0.000 0.893 178 V CB 1.411 33.419 31.823 0.308 0.000 0.982 178 V HN 0.747 nan 8.190 nan 0.000 0.452 179 V N 4.094 124.106 119.914 0.162 0.000 2.555 179 V HA 0.918 5.037 4.120 -0.000 0.000 0.302 179 V C 0.204 176.376 176.094 0.129 0.000 1.038 179 V CA -0.283 62.066 62.300 0.082 0.000 0.887 179 V CB 1.720 33.555 31.823 0.021 0.000 0.991 179 V HN 1.043 nan 8.190 nan 0.000 0.434 180 A N 4.331 127.228 122.820 0.128 0.000 2.527 180 A HA 0.858 5.177 4.320 -0.000 0.000 0.293 180 A C -0.264 177.391 177.584 0.118 0.000 1.117 180 A CA -1.052 51.084 52.037 0.166 0.000 0.723 180 A CB 1.331 20.462 19.000 0.219 0.000 1.313 180 A HN 1.021 nan 8.150 nan 0.000 0.411 181 R N 0.405 120.983 120.500 0.131 0.000 2.697 181 R HA 0.119 4.459 4.340 -0.000 0.000 0.265 181 R C 0.873 177.227 176.300 0.091 0.000 1.009 181 R CA 0.483 56.625 56.100 0.070 0.000 1.099 181 R CB 0.379 30.698 30.300 0.032 0.000 0.965 181 R HN 0.820 nan 8.270 nan 0.000 0.428 182 R N 0.696 121.218 120.500 0.037 0.000 2.091 182 R HA -0.141 4.198 4.340 -0.000 0.000 0.238 182 R C -0.195 176.151 176.300 0.076 0.000 1.136 182 R CA 1.912 58.033 56.100 0.034 0.000 0.959 182 R CB 0.067 30.369 30.300 0.003 0.000 0.856 182 R HN 0.741 nan 8.270 nan 0.000 0.437 183 D N 0.468 120.905 120.400 0.063 0.000 2.540 183 D HA 0.043 4.683 4.640 -0.000 0.000 0.251 183 D C -0.903 175.444 176.300 0.078 0.000 1.159 183 D CA -0.052 53.988 54.000 0.067 0.000 0.974 183 D CB 0.248 41.065 40.800 0.028 0.000 0.996 183 D HN 0.270 nan 8.370 nan 0.000 0.512 184 H N 2.581 121.674 119.070 0.038 0.000 2.610 184 H HA 0.113 4.669 4.556 -0.000 0.000 0.336 184 H C -1.448 173.889 175.328 0.014 0.000 1.087 184 H CA -1.480 54.582 56.048 0.024 0.000 1.405 184 H CB 1.832 31.624 29.762 0.049 0.000 1.460 184 H HN 0.018 nan 8.280 nan 0.000 0.538 185 P HA -0.062 nan 4.420 nan 0.000 0.225 185 P C 0.473 177.839 177.300 0.111 0.000 1.148 185 P CA 1.083 64.174 63.100 -0.016 0.000 0.779 185 P CB 0.380 32.022 31.700 -0.096 0.000 0.780 186 R N -1.271 119.424 120.500 0.325 0.000 2.549 186 R HA 0.339 4.678 4.340 -0.000 0.000 0.344 186 R C 0.192 176.561 176.300 0.114 0.000 0.979 186 R CA -0.189 56.033 56.100 0.204 0.000 1.140 186 R CB 0.486 30.901 30.300 0.192 0.000 1.377 186 R HN 0.153 nan 8.270 nan 0.000 0.541 187 L N 0.644 121.938 121.223 0.118 0.000 2.276 187 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 187 L C 0.848 177.723 176.870 0.009 0.000 1.024 187 L CA -0.413 54.404 54.840 -0.038 0.000 0.826 187 L CB 1.676 43.643 42.059 -0.153 0.000 1.211 187 L HN 0.086 nan 8.230 nan 0.000 0.422 188 A N 2.580 125.390 122.820 -0.017 0.000 2.044 188 A HA 0.540 4.860 4.320 -0.000 0.000 0.213 188 A C 1.009 178.594 177.584 0.002 0.000 1.169 188 A CA 0.910 52.952 52.037 0.008 0.000 0.724 188 A CB 0.225 19.229 19.000 0.006 0.000 0.840 188 A HN 0.783 nan 8.150 nan 0.000 0.463 189 G N -1.767 106.996 108.800 -0.062 0.000 2.896 189 G HA2 0.519 4.479 3.960 -0.000 0.000 0.247 189 G HA3 0.519 4.479 3.960 -0.000 0.000 0.247 189 G C -0.230 174.430 174.900 -0.399 0.000 1.187 189 G CA 0.001 45.051 45.100 -0.085 0.000 0.837 189 G HN 0.815 nan 8.290 nan 0.000 0.559 190 A N 1.372 123.968 122.820 -0.374 0.000 2.565 190 A HA 0.519 4.839 4.320 -0.000 0.000 0.237 190 A C -1.766 175.562 177.584 -0.427 0.000 1.053 190 A CA -0.171 51.507 52.037 -0.599 0.000 0.755 190 A CB -0.595 18.332 19.000 -0.122 0.000 0.980 190 A HN 0.394 nan 8.150 nan 0.000 0.506 191 P HA 0.255 nan 4.420 nan 0.000 0.275 191 P C 0.313 177.575 177.300 -0.064 0.000 1.228 191 P CA -0.111 62.881 63.100 -0.180 0.000 0.786 191 P CB 0.643 32.302 31.700 -0.068 0.000 0.927 192 T N -0.294 114.249 114.554 -0.018 0.000 2.754 192 T HA 0.087 4.437 4.350 -0.000 0.000 0.286 192 T C 1.318 176.066 174.700 0.079 0.000 0.997 192 T CA -0.668 61.442 62.100 0.017 0.000 0.982 192 T CB 0.160 69.037 68.868 0.015 0.000 1.027 192 T HN 0.144 nan 8.240 nan 0.000 0.529 193 L N 0.671 121.942 121.223 0.081 0.000 2.013 193 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 193 L C 2.606 179.574 176.870 0.162 0.000 1.073 193 L CA 1.925 56.841 54.840 0.126 0.000 0.753 193 L CB -1.116 40.993 42.059 0.083 0.000 0.890 193 L HN 0.842 nan 8.230 nan 0.000 0.432 194 E N -1.353 118.909 120.200 0.105 0.000 2.152 194 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 194 E C 2.060 178.724 176.600 0.107 0.000 0.983 194 E CA 0.723 57.179 56.400 0.093 0.000 0.818 194 E CB -0.367 29.365 29.700 0.054 0.000 0.758 194 E HN 0.667 nan 8.360 nan 0.000 0.467 195 G N 0.794 109.652 108.800 0.098 0.000 2.421 195 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 195 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 195 G C 1.409 176.378 174.900 0.115 0.000 1.171 195 G CA 0.799 45.940 45.100 0.069 0.000 0.775 195 G HN 0.289 nan 8.290 nan 0.000 0.543 196 Y N 1.108 121.436 120.300 0.048 0.000 2.165 196 Y HA -0.036 4.514 4.550 -0.000 0.000 0.286 196 Y C 2.413 178.440 175.900 0.212 0.000 1.155 196 Y CA 1.465 59.645 58.100 0.133 0.000 1.164 196 Y CB -0.116 38.470 38.460 0.210 0.000 0.978 196 Y HN 0.101 nan 8.280 nan 0.000 0.513 197 L N -0.309 121.098 121.223 0.307 0.000 2.478 197 L HA 0.032 4.371 4.340 -0.000 0.000 0.223 197 L C 2.315 179.246 176.870 0.102 0.000 1.140 197 L CA 0.589 55.539 54.840 0.184 0.000 0.842 197 L CB -0.512 41.632 42.059 0.141 0.000 0.953 197 L HN 0.290 nan 8.230 nan 0.000 0.452 198 A N -1.071 121.797 122.820 0.080 0.000 2.238 198 A HA 0.057 4.377 4.320 -0.000 0.000 0.208 198 A C 0.868 178.467 177.584 0.025 0.000 1.177 198 A CA 0.373 52.439 52.037 0.047 0.000 0.804 198 A CB -0.098 18.929 19.000 0.045 0.000 0.823 198 A HN 0.161 nan 8.150 nan 0.000 0.482 199 E N 0.110 120.295 120.200 -0.026 0.000 2.239 199 E HA 0.417 4.767 4.350 -0.000 0.000 0.261 199 E C -0.328 176.185 176.600 -0.145 0.000 1.016 199 E CA -0.527 55.814 56.400 -0.098 0.000 0.882 199 E CB 0.775 30.336 29.700 -0.232 0.000 1.190 199 E HN 0.353 nan 8.360 nan 0.000 0.415 200 R N 0.430 120.860 120.500 -0.117 0.000 2.528 200 R HA 0.392 4.732 4.340 -0.000 0.000 0.271 200 R C 0.102 176.146 176.300 -0.427 0.000 1.056 200 R CA -0.376 55.602 56.100 -0.204 0.000 1.117 200 R CB 0.727 30.863 30.300 -0.274 0.000 1.085 200 R HN 0.426 nan 8.270 nan 0.000 0.530 201 H N -0.645 118.231 119.070 -0.323 0.000 2.717 201 H HA 0.404 4.960 4.556 -0.000 0.000 0.366 201 H C -0.882 174.314 175.328 -0.220 0.000 1.132 201 H CA -0.773 55.148 56.048 -0.211 0.000 1.180 201 H CB 2.245 31.895 29.762 -0.188 0.000 1.678 201 H HN 0.669 nan 8.280 nan 0.000 0.537 202 A N 2.575 125.422 122.820 0.044 0.000 2.301 202 A HA 0.585 4.905 4.320 -0.000 0.000 0.312 202 A C -0.458 177.176 177.584 0.082 0.000 1.182 202 A CA -0.502 51.569 52.037 0.055 0.000 0.826 202 A CB 0.766 19.849 19.000 0.138 0.000 1.134 202 A HN 0.351 nan 8.150 nan 0.000 0.501 203 V N 2.738 122.683 119.914 0.052 0.000 2.638 203 V HA 0.350 4.469 4.120 -0.000 0.000 0.306 203 V C -0.495 175.627 176.094 0.046 0.000 1.052 203 V CA -0.573 61.763 62.300 0.059 0.000 0.885 203 V CB 1.965 33.808 31.823 0.033 0.000 0.999 203 V HN 0.665 nan 8.190 nan 0.000 0.424 204 V N 3.925 123.872 119.914 0.055 0.000 2.383 204 V HA 0.475 4.594 4.120 -0.000 0.000 0.275 204 V C 0.440 176.545 176.094 0.019 0.000 1.036 204 V CA -0.168 62.149 62.300 0.028 0.000 0.889 204 V CB 1.601 33.438 31.823 0.023 0.000 0.985 204 V HN 1.042 nan 8.190 nan 0.000 0.459 205 T N 2.975 117.526 114.554 -0.006 0.000 3.241 205 T HA 0.353 4.703 4.350 -0.000 0.000 0.387 205 T C -2.246 172.409 174.700 -0.075 0.000 1.451 205 T CA -1.728 60.373 62.100 0.003 0.000 1.363 205 T CB 1.467 70.351 68.868 0.027 0.000 1.074 205 T HN 0.382 nan 8.240 nan 0.000 0.598 206 P HA 0.057 nan 4.420 nan 0.000 0.223 206 P C 0.204 177.091 177.300 -0.688 0.000 1.151 206 P CA 0.559 63.316 63.100 -0.571 0.000 0.787 206 P CB 0.124 31.178 31.700 -1.076 0.000 0.788 207 W N -0.391 120.928 121.300 0.032 0.000 2.570 207 W HA 0.274 4.934 4.660 -0.000 0.000 0.410 207 W C 0.024 176.555 176.519 0.020 0.000 0.889 207 W CA -0.407 56.954 57.345 0.026 0.000 2.386 207 W CB -0.822 28.647 29.460 0.015 0.000 1.228 207 W HN 0.082 nan 8.180 nan 0.000 0.692 208 N N 1.298 120.064 118.700 0.110 0.000 2.708 208 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 208 N C 0.459 176.024 175.510 0.092 0.000 1.123 208 N CA 1.581 54.681 53.050 0.083 0.000 0.739 208 N CB -1.261 37.275 38.487 0.082 0.000 1.113 208 N HN 0.416 nan 8.380 nan 0.000 0.561 209 E N 0.441 120.712 120.200 0.119 0.000 2.422 209 E HA 0.019 4.369 4.350 -0.000 0.000 0.260 209 E C 0.111 176.744 176.600 0.056 0.000 1.108 209 E CA 0.112 56.568 56.400 0.093 0.000 0.943 209 E CB 0.658 30.426 29.700 0.114 0.000 0.961 209 E HN -0.033 nan 8.360 nan 0.000 0.443 210 D N -0.101 120.322 120.400 0.039 0.000 2.349 210 D HA 0.027 4.666 4.640 -0.000 0.000 0.224 210 D C 0.047 176.356 176.300 0.015 0.000 1.029 210 D CA 0.523 54.536 54.000 0.022 0.000 0.879 210 D CB 0.134 40.943 40.800 0.015 0.000 0.906 210 D HN 0.459 nan 8.370 nan 0.000 0.528 211 S N -1.777 113.936 115.700 0.021 0.000 2.607 211 S HA 0.706 5.176 4.470 -0.000 0.000 0.273 211 S C 0.116 174.731 174.600 0.025 0.000 1.148 211 S CA -0.875 57.332 58.200 0.012 0.000 0.833 211 S CB 1.982 65.184 63.200 0.003 0.000 1.130 211 S HN -0.031 nan 8.310 nan 0.000 0.470 212 G N -0.108 108.703 108.800 0.019 0.000 2.504 212 G HA2 0.477 4.437 3.960 -0.000 0.000 0.288 212 G HA3 0.477 4.437 3.960 -0.000 0.000 0.288 212 G C 0.861 175.777 174.900 0.027 0.000 1.182 212 G CA -0.282 44.839 45.100 0.036 0.000 0.894 212 G HN 1.276 nan 8.290 nan 0.000 0.521 213 V N 1.313 121.249 119.914 0.037 0.000 2.490 213 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 213 V C 2.395 178.475 176.094 -0.023 0.000 1.061 213 V CA 1.246 63.555 62.300 0.015 0.000 1.064 213 V CB -0.496 31.352 31.823 0.041 0.000 0.670 213 V HN 0.598 nan 8.190 nan 0.000 0.461 214 I N 0.290 120.843 120.570 -0.029 0.000 2.394 214 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 214 I C 2.273 178.372 176.117 -0.029 0.000 1.136 214 I CA 1.520 62.815 61.300 -0.009 0.000 1.425 214 I CB -1.431 36.614 38.000 0.076 0.000 1.079 214 I HN 0.389 nan 8.210 nan 0.000 0.425 215 D N 0.880 121.262 120.400 -0.030 0.000 2.097 215 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 215 D C 2.273 178.541 176.300 -0.053 0.000 0.984 215 D CA 0.932 54.899 54.000 -0.055 0.000 0.826 215 D CB -0.075 40.700 40.800 -0.041 0.000 0.973 215 D HN 0.259 nan 8.370 nan 0.000 0.460 216 R N 0.699 121.180 120.500 -0.031 0.000 2.122 216 R HA -0.153 4.187 4.340 -0.000 0.000 0.236 216 R C 2.553 178.833 176.300 -0.032 0.000 1.129 216 R CA 1.098 57.184 56.100 -0.024 0.000 0.925 216 R CB -0.768 29.528 30.300 -0.008 0.000 0.850 216 R HN 0.169 nan 8.270 nan 0.000 0.431 217 L N 0.847 122.052 121.223 -0.029 0.000 2.021 217 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 217 L C 2.110 178.934 176.870 -0.077 0.000 1.074 217 L CA 1.642 56.464 54.840 -0.029 0.000 0.760 217 L CB -0.202 41.858 42.059 0.002 0.000 0.889 217 L HN 0.326 nan 8.230 nan 0.000 0.433 218 L N -0.550 120.587 121.223 -0.142 0.000 2.109 218 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 218 L C 2.821 179.598 176.870 -0.156 0.000 1.086 218 L CA 0.893 55.586 54.840 -0.246 0.000 0.760 218 L CB -0.595 41.271 42.059 -0.322 0.000 0.910 218 L HN 0.346 nan 8.230 nan 0.000 0.437 219 A N -0.090 122.667 122.820 -0.105 0.000 1.972 219 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 219 A C 2.209 179.758 177.584 -0.058 0.000 1.169 219 A CA 1.186 53.179 52.037 -0.074 0.000 0.635 219 A CB -0.486 18.481 19.000 -0.054 0.000 0.810 219 A HN 0.305 nan 8.150 nan 0.000 0.446 220 R N -0.124 120.345 120.500 -0.052 0.000 2.369 220 R HA 0.039 4.379 4.340 -0.000 0.000 0.200 220 R C 0.317 176.594 176.300 -0.038 0.000 1.046 220 R CA 0.835 56.914 56.100 -0.035 0.000 1.057 220 R CB -0.109 30.179 30.300 -0.021 0.000 0.888 220 R HN 0.434 nan 8.270 nan 0.000 0.474 221 S N -1.483 114.182 115.700 -0.057 0.000 2.900 221 S HA 0.190 4.660 4.470 -0.000 0.000 0.253 221 S C 0.650 175.215 174.600 -0.058 0.000 1.029 221 S CA 0.238 58.405 58.200 -0.054 0.000 1.096 221 S CB 1.831 64.991 63.200 -0.067 0.000 1.067 221 S HN 0.530 nan 8.310 nan 0.000 0.610 222 G N 1.886 110.653 108.800 -0.056 0.000 2.148 222 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 222 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 222 G C -0.136 174.726 174.900 -0.062 0.000 0.981 222 G CA 0.181 45.251 45.100 -0.050 0.000 0.670 222 G HN 0.474 nan 8.290 nan 0.000 0.528 223 L N -0.217 120.951 121.223 -0.092 0.000 2.325 223 L HA 0.859 5.199 4.340 -0.000 0.000 0.278 223 L C 0.593 177.395 176.870 -0.113 0.000 1.023 223 L CA -1.258 53.516 54.840 -0.110 0.000 0.811 223 L CB 1.721 43.677 42.059 -0.171 0.000 1.249 223 L HN 0.399 nan 8.230 nan 0.000 0.431 224 R N 1.387 121.832 120.500 -0.093 0.000 2.673 224 R HA 0.719 5.059 4.340 -0.000 0.000 0.281 224 R C -1.170 175.068 176.300 -0.103 0.000 0.991 224 R CA -1.028 55.015 56.100 -0.094 0.000 0.896 224 R CB 1.778 32.038 30.300 -0.066 0.000 1.201 224 R HN 0.685 nan 8.270 nan 0.000 0.457 225 R N 1.054 121.462 120.500 -0.154 0.000 2.668 225 R HA 0.410 4.750 4.340 -0.000 0.000 0.279 225 R C -0.918 175.308 176.300 -0.122 0.000 0.976 225 R CA -1.033 54.935 56.100 -0.220 0.000 0.978 225 R CB 1.290 31.216 30.300 -0.624 0.000 1.133 225 R HN 0.480 nan 8.270 nan 0.000 0.484 226 E N 1.942 122.123 120.200 -0.031 0.000 2.223 226 E HA 0.172 4.522 4.350 -0.000 0.000 0.282 226 E C -0.574 176.012 176.600 -0.023 0.000 1.046 226 E CA -0.509 55.881 56.400 -0.018 0.000 0.857 226 E CB 1.748 31.445 29.700 -0.006 0.000 1.055 226 E HN 0.320 nan 8.360 nan 0.000 0.409 227 V N 2.808 122.682 119.914 -0.068 0.000 2.394 227 V HA 0.273 4.393 4.120 -0.000 0.000 0.282 227 V C 0.976 176.971 176.094 -0.166 0.000 1.031 227 V CA -0.080 62.163 62.300 -0.096 0.000 0.881 227 V CB 1.299 33.081 31.823 -0.068 0.000 0.982 227 V HN 0.821 nan 8.190 nan 0.000 0.451 228 A N 4.828 127.456 122.820 -0.321 0.000 1.956 228 A HA 0.436 4.756 4.320 -0.000 0.000 0.212 228 A C 0.605 178.054 177.584 -0.224 0.000 1.188 228 A CA 0.557 52.354 52.037 -0.400 0.000 0.675 228 A CB 0.384 18.769 19.000 -1.024 0.000 0.845 228 A HN 0.608 nan 8.150 nan 0.000 0.455 229 V N 0.268 120.075 119.914 -0.179 0.000 2.808 229 V HA 0.365 4.485 4.120 -0.000 0.000 0.308 229 V C -1.159 174.922 176.094 -0.021 0.000 1.099 229 V CA -0.719 61.552 62.300 -0.048 0.000 0.920 229 V CB 1.695 33.538 31.823 0.034 0.000 1.014 229 V HN 0.501 nan 8.190 nan 0.000 0.425 230 Q N 4.168 123.966 119.800 -0.003 0.000 2.309 230 Q HA 0.908 5.248 4.340 -0.000 0.000 0.264 230 Q C -1.087 174.923 176.000 0.016 0.000 1.008 230 Q CA -0.669 55.139 55.803 0.008 0.000 0.853 230 Q CB 2.801 31.542 28.738 0.006 0.000 1.314 230 Q HN 0.757 nan 8.270 nan 0.000 0.448 231 L N -1.213 120.019 121.223 0.016 0.000 2.622 231 L HA 0.643 4.983 4.340 -0.000 0.000 0.258 231 L C -2.670 174.194 176.870 -0.009 0.000 0.996 231 L CA -2.264 52.582 54.840 0.010 0.000 0.858 231 L CB 2.061 44.135 42.059 0.024 0.000 1.449 231 L HN 0.276 nan 8.230 nan 0.000 0.411 232 P HA 0.088 nan 4.420 nan 0.000 0.245 232 P C -0.051 177.205 177.300 -0.074 0.000 1.203 232 P CA 0.517 63.571 63.100 -0.076 0.000 0.792 232 P CB 0.281 31.928 31.700 -0.088 0.000 0.997 233 T N -0.402 114.135 114.554 -0.027 0.000 2.756 233 T HA 0.224 4.574 4.350 -0.000 0.000 0.290 233 T C 1.414 176.114 174.700 0.001 0.000 0.985 233 T CA -0.499 61.597 62.100 -0.006 0.000 0.955 233 T CB 1.814 70.693 68.868 0.018 0.000 0.930 233 T HN -0.304 nan 8.240 nan 0.000 0.451 234 V N 3.550 123.458 119.914 -0.010 0.000 2.343 234 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 234 V C 2.338 178.402 176.094 -0.050 0.000 1.051 234 V CA 1.650 63.922 62.300 -0.047 0.000 1.036 234 V CB -0.750 31.010 31.823 -0.104 0.000 0.654 234 V HN 0.799 nan 8.190 nan 0.000 0.451 235 L N 0.090 121.295 121.223 -0.029 0.000 2.072 235 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 235 L C 2.761 179.707 176.870 0.128 0.000 1.079 235 L CA 1.376 56.203 54.840 -0.021 0.000 0.752 235 L CB -0.837 41.205 42.059 -0.027 0.000 0.906 235 L HN 0.339 nan 8.230 nan 0.000 0.436 236 A N 0.271 123.168 122.820 0.130 0.000 1.972 236 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 236 A C 2.528 180.209 177.584 0.163 0.000 1.169 236 A CA 1.644 53.787 52.037 0.177 0.000 0.635 236 A CB -0.585 18.469 19.000 0.089 0.000 0.810 236 A HN 0.395 nan 8.150 nan 0.000 0.446 237 A N -0.294 122.577 122.820 0.085 0.000 1.933 237 A HA -0.024 4.295 4.320 -0.000 0.000 0.218 237 A C 2.138 179.751 177.584 0.049 0.000 1.175 237 A CA 1.435 53.514 52.037 0.070 0.000 0.628 237 A CB -0.547 18.477 19.000 0.040 0.000 0.814 237 A HN 0.471 nan 8.150 nan 0.000 0.444 238 L N -2.047 119.164 121.223 -0.020 0.000 2.046 238 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 238 L C 2.427 179.196 176.870 -0.169 0.000 1.077 238 L CA 1.359 56.117 54.840 -0.138 0.000 0.747 238 L CB -0.503 41.395 42.059 -0.269 0.000 0.896 238 L HN 0.419 nan 8.230 nan 0.000 0.432 239 F N -0.851 119.085 119.950 -0.023 0.000 2.186 239 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 239 F C 2.243 178.036 175.800 -0.011 0.000 1.090 239 F CA 0.939 58.928 58.000 -0.019 0.000 1.307 239 F CB -0.375 38.613 39.000 -0.021 0.000 1.019 239 F HN 0.010 nan 8.300 nan 0.000 0.489 240 L N 0.847 122.180 121.223 0.183 0.000 2.012 240 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 240 L C 2.414 179.327 176.870 0.071 0.000 1.073 240 L CA 2.074 56.987 54.840 0.121 0.000 0.748 240 L CB -1.231 40.916 42.059 0.145 0.000 0.891 240 L HN 0.048 nan 8.230 nan 0.000 0.431 241 A N -0.463 122.402 122.820 0.075 0.000 1.978 241 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 241 A C 2.281 179.873 177.584 0.014 0.000 1.170 241 A CA 1.612 53.684 52.037 0.058 0.000 0.636 241 A CB -1.605 17.429 19.000 0.057 0.000 0.810 241 A HN 0.587 nan 8.150 nan 0.000 0.448 242 G N -1.773 107.024 108.800 -0.005 0.000 2.534 242 G HA2 0.085 4.044 3.960 -0.000 0.000 0.217 242 G HA3 0.085 4.044 3.960 -0.000 0.000 0.217 242 G C 1.280 176.176 174.900 -0.008 0.000 1.128 242 G CA 1.046 46.140 45.100 -0.012 0.000 0.784 242 G HN 0.477 nan 8.290 nan 0.000 0.542 243 S N -0.379 115.311 115.700 -0.018 0.000 2.554 243 S HA 0.261 4.731 4.470 -0.000 0.000 0.226 243 S C 0.642 175.147 174.600 -0.159 0.000 0.980 243 S CA 0.304 58.470 58.200 -0.057 0.000 0.939 243 S CB 0.442 63.627 63.200 -0.025 0.000 0.832 243 S HN 0.655 nan 8.310 nan 0.000 0.486 244 T N -1.926 112.496 114.554 -0.220 0.000 2.681 244 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 244 T C -0.916 173.586 174.700 -0.330 0.000 1.157 244 T CA -0.644 61.200 62.100 -0.427 0.000 1.025 244 T CB 0.956 69.255 68.868 -0.947 0.000 1.441 244 T HN -0.245 nan 8.240 nan 0.000 0.504 245 D N -0.266 119.886 120.400 -0.413 0.000 2.328 245 D HA 0.256 4.896 4.640 -0.000 0.000 0.226 245 D C 0.048 176.463 176.300 0.192 0.000 1.066 245 D CA -0.009 53.866 54.000 -0.208 0.000 0.861 245 D CB -0.268 40.364 40.800 -0.279 0.000 0.912 245 D HN 0.493 nan 8.370 nan 0.000 0.521 246 F N 0.816 120.778 119.950 0.021 0.000 2.459 246 F HA 0.183 4.710 4.527 -0.000 0.000 0.346 246 F C 1.156 176.933 175.800 -0.038 0.000 1.128 246 F CA -0.731 57.249 58.000 -0.033 0.000 1.268 246 F CB 0.848 39.830 39.000 -0.029 0.000 1.161 246 F HN -0.375 nan 8.300 nan 0.000 0.583 247 L N 3.380 124.601 121.223 -0.003 0.000 2.360 247 L HA 0.553 4.893 4.340 -0.000 0.000 0.271 247 L C -0.695 176.231 176.870 0.093 0.000 1.057 247 L CA -1.035 53.783 54.840 -0.035 0.000 0.803 247 L CB 1.737 43.627 42.059 -0.281 0.000 1.207 247 L HN 0.468 nan 8.230 nan 0.000 0.445 248 L N 1.154 122.479 121.223 0.169 0.000 2.436 248 L HA 0.522 4.861 4.340 -0.000 0.000 0.268 248 L C -0.705 176.310 176.870 0.242 0.000 0.974 248 L CA 0.179 55.133 54.840 0.190 0.000 0.826 248 L CB 2.295 44.426 42.059 0.120 0.000 1.291 248 L HN 0.463 nan 8.230 nan 0.000 0.406 249 T N 4.497 119.229 114.554 0.297 0.000 2.821 249 T HA 0.877 5.227 4.350 -0.000 0.000 0.307 249 T C -0.322 174.603 174.700 0.375 0.000 1.034 249 T CA -0.141 62.170 62.100 0.353 0.000 0.953 249 T CB 0.990 70.120 68.868 0.435 0.000 0.968 249 T HN 0.850 nan 8.240 nan 0.000 0.462 250 A N 4.779 127.718 122.820 0.199 0.000 2.515 250 A HA 0.901 5.221 4.320 -0.000 0.000 0.296 250 A C -3.021 174.243 177.584 -0.533 0.000 1.094 250 A CA -2.369 49.584 52.037 -0.139 0.000 0.718 250 A CB 1.098 20.017 19.000 -0.135 0.000 1.307 250 A HN 0.442 nan 8.150 nan 0.000 0.408 251 P HA 0.056 nan 4.420 nan 0.000 0.262 251 P C 0.689 177.854 177.300 -0.226 0.000 1.182 251 P CA 0.134 62.807 63.100 -0.711 0.000 0.761 251 P CB 0.452 31.558 31.700 -0.990 0.000 0.795 252 R N 3.318 123.794 120.500 -0.040 0.000 2.091 252 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 252 R C 1.842 178.242 176.300 0.166 0.000 1.136 252 R CA 1.655 57.780 56.100 0.042 0.000 0.959 252 R CB -0.566 29.756 30.300 0.038 0.000 0.856 252 R HN 0.557 nan 8.270 nan 0.000 0.437 253 H N -0.012 119.203 119.070 0.241 0.000 2.352 253 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 253 H C 1.672 177.225 175.328 0.375 0.000 1.097 253 H CA 2.226 58.503 56.048 0.382 0.000 1.311 253 H CB -0.138 30.018 29.762 0.656 0.000 1.377 253 H HN 0.368 nan 8.280 nan 0.000 0.504 254 A N 0.359 123.350 122.820 0.284 0.000 1.897 254 A HA 0.096 4.416 4.320 -0.000 0.000 0.215 254 A C 2.602 180.072 177.584 -0.189 0.000 1.181 254 A CA 1.350 53.322 52.037 -0.109 0.000 0.620 254 A CB -1.158 17.700 19.000 -0.237 0.000 0.821 254 A HN 0.566 nan 8.150 nan 0.000 0.443 255 A N 0.080 122.820 122.820 -0.133 0.000 1.902 255 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 255 A C 2.225 179.740 177.584 -0.116 0.000 1.181 255 A CA 1.537 53.489 52.037 -0.142 0.000 0.623 255 A CB -0.492 18.442 19.000 -0.110 0.000 0.818 255 A HN 0.536 nan 8.150 nan 0.000 0.443 256 R N -0.516 119.948 120.500 -0.061 0.000 2.091 256 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 256 R C 2.402 178.669 176.300 -0.055 0.000 1.136 256 R CA 1.270 57.343 56.100 -0.046 0.000 0.959 256 R CB -0.495 29.806 30.300 0.003 0.000 0.856 256 R HN 0.516 nan 8.270 nan 0.000 0.437 257 A N 0.650 123.438 122.820 -0.053 0.000 2.019 257 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 257 A C 1.872 179.409 177.584 -0.077 0.000 1.164 257 A CA 1.084 53.106 52.037 -0.024 0.000 0.644 257 A CB -0.138 18.921 19.000 0.099 0.000 0.805 257 A HN 0.211 nan 8.150 nan 0.000 0.449 258 L N -1.473 119.652 121.223 -0.164 0.000 2.693 258 L HA 0.181 4.521 4.340 -0.000 0.000 0.235 258 L C 2.518 179.244 176.870 -0.239 0.000 1.127 258 L CA 0.420 55.113 54.840 -0.246 0.000 0.914 258 L CB -0.102 41.704 42.059 -0.421 0.000 1.193 258 L HN 0.390 nan 8.230 nan 0.000 0.502 259 A N 0.407 123.129 122.820 -0.163 0.000 1.892 259 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 259 A C 2.211 179.723 177.584 -0.119 0.000 1.188 259 A CA 1.652 53.603 52.037 -0.142 0.000 0.631 259 A CB -0.157 18.778 19.000 -0.109 0.000 0.822 259 A HN 0.321 nan 8.150 nan 0.000 0.447 260 E N -0.561 119.586 120.200 -0.088 0.000 2.051 260 E HA -0.017 4.332 4.350 -0.000 0.000 0.189 260 E C 2.481 179.056 176.600 -0.041 0.000 0.979 260 E CA 1.048 57.416 56.400 -0.052 0.000 0.803 260 E CB -0.582 29.102 29.700 -0.027 0.000 0.761 260 E HN 0.519 nan 8.360 nan 0.000 0.451 261 A N 1.336 124.131 122.820 -0.042 0.000 1.917 261 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 261 A C 2.196 179.799 177.584 0.032 0.000 1.182 261 A CA 2.342 54.401 52.037 0.036 0.000 0.633 261 A CB -0.380 18.669 19.000 0.081 0.000 0.819 261 A HN 0.245 nan 8.150 nan 0.000 0.448 262 A N -2.066 120.603 122.820 -0.253 0.000 2.348 262 A HA 0.464 4.784 4.320 -0.000 0.000 0.224 262 A C 1.451 178.976 177.584 -0.098 0.000 1.227 262 A CA 0.996 52.864 52.037 -0.281 0.000 0.885 262 A CB -0.751 17.788 19.000 -0.769 0.000 0.933 262 A HN 2.032 nan 8.150 nan 0.000 0.506 263 G N 0.058 108.811 108.800 -0.077 0.000 2.417 263 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.291 263 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.291 263 G C -0.344 174.521 174.900 -0.059 0.000 1.094 263 G CA 0.386 45.459 45.100 -0.045 0.000 1.146 263 G HN 0.517 nan 8.290 nan 0.000 0.519 264 L N -0.230 120.940 121.223 -0.088 0.000 2.333 264 L HA 0.904 5.244 4.340 -0.000 0.000 0.269 264 L C 0.630 177.433 176.870 -0.111 0.000 1.010 264 L CA -0.937 53.848 54.840 -0.092 0.000 0.818 264 L CB 2.141 44.124 42.059 -0.127 0.000 1.306 264 L HN 0.483 nan 8.230 nan 0.000 0.430 265 A N 2.023 124.760 122.820 -0.138 0.000 2.324 265 A HA 0.823 5.143 4.320 -0.000 0.000 0.330 265 A C -1.062 176.235 177.584 -0.477 0.000 1.165 265 A CA -0.408 51.437 52.037 -0.319 0.000 0.813 265 A CB 1.014 19.813 19.000 -0.335 0.000 1.197 265 A HN 0.454 nan 8.150 nan 0.000 0.484 266 L N 2.017 122.903 121.223 -0.562 0.000 2.341 266 L HA 0.640 4.979 4.340 -0.000 0.000 0.278 266 L C -1.135 175.393 176.870 -0.572 0.000 1.005 266 L CA -0.013 54.582 54.840 -0.409 0.000 0.818 266 L CB 1.252 43.186 42.059 -0.207 0.000 1.259 266 L HN 0.648 nan 8.230 nan 0.000 0.418 267 Y N 2.603 122.898 120.300 -0.007 0.000 2.545 267 Y HA 0.602 5.152 4.550 -0.000 0.000 0.348 267 Y C -2.200 173.679 175.900 -0.036 0.000 1.002 267 Y CA -2.635 55.455 58.100 -0.016 0.000 1.039 267 Y CB 1.418 39.873 38.460 -0.007 0.000 1.271 267 Y HN 0.435 nan 8.280 nan 0.000 0.467 268 P HA 0.158 nan 4.420 nan 0.000 0.269 268 P C -0.666 176.597 177.300 -0.063 0.000 1.209 268 P CA -0.125 62.978 63.100 0.004 0.000 0.776 268 P CB 0.722 32.415 31.700 -0.012 0.000 0.876 269 A N 4.983 127.678 122.820 -0.208 0.000 2.462 269 A HA 0.278 4.597 4.320 -0.000 0.000 0.243 269 A C -1.231 176.084 177.584 -0.448 0.000 1.076 269 A CA -0.972 50.776 52.037 -0.480 0.000 0.773 269 A CB -0.834 17.632 19.000 -0.890 0.000 1.010 269 A HN 0.465 nan 8.150 nan 0.000 0.493 270 P HA 0.174 nan 4.420 nan 0.000 0.258 270 P C -0.769 176.515 177.300 -0.026 0.000 1.403 270 P CA 0.442 63.448 63.100 -0.157 0.000 0.826 270 P CB -0.791 30.889 31.700 -0.034 0.000 1.414 271 F N -2.942 116.909 119.950 -0.165 0.000 2.745 271 F HA 0.557 5.084 4.527 0.000 0.000 0.316 271 F C -0.921 174.819 175.800 -0.101 0.000 1.155 271 F CA -1.640 56.281 58.000 -0.131 0.000 0.937 271 F CB 0.272 39.175 39.000 -0.163 0.000 1.361 271 F HN -0.415 nan 8.300 nan 0.000 0.472 272 D N 2.047 122.510 120.400 0.104 0.000 2.312 272 D HA 0.507 5.146 4.640 -0.000 0.000 0.252 272 D C -0.421 175.902 176.300 0.039 0.000 1.150 272 D CA 0.428 54.436 54.000 0.013 0.000 0.870 272 D CB 1.613 42.434 40.800 0.035 0.000 1.153 272 D HN 0.499 nan 8.370 nan 0.000 0.457 273 I N 3.322 123.860 120.570 -0.053 0.000 2.447 273 I HA 0.212 4.382 4.170 -0.000 0.000 0.287 273 I C -2.130 173.970 176.117 -0.029 0.000 1.023 273 I CA -2.044 59.237 61.300 -0.032 0.000 1.083 273 I CB 1.872 39.816 38.000 -0.093 0.000 1.245 273 I HN 0.025 nan 8.210 nan 0.000 0.434 274 P HA 0.154 nan 4.420 nan 0.000 0.265 274 P C -2.475 174.807 177.300 -0.030 0.000 1.187 274 P CA -0.762 62.321 63.100 -0.028 0.000 0.766 274 P CB -0.451 31.226 31.700 -0.038 0.000 0.820 275 P HA 0.030 nan 4.420 nan 0.000 0.268 275 P C -0.716 176.495 177.300 -0.147 0.000 1.208 275 P CA 0.215 63.230 63.100 -0.143 0.000 0.777 275 P CB 0.041 31.618 31.700 -0.204 0.000 0.875 276 Y N -0.527 119.601 120.300 -0.287 0.000 2.496 276 Y HA 0.739 5.289 4.550 -0.000 0.000 0.331 276 Y C -0.935 174.745 175.900 -0.368 0.000 1.140 276 Y CA -1.445 56.380 58.100 -0.458 0.000 1.166 276 Y CB 0.911 38.774 38.460 -0.994 0.000 1.249 276 Y HN 0.019 nan 8.280 nan 0.000 0.479 277 V N 4.653 124.482 119.914 -0.141 0.000 2.443 277 V HA 0.290 4.410 4.120 -0.000 0.000 0.293 277 V C -0.239 175.856 176.094 0.002 0.000 1.021 277 V CA -0.931 61.261 62.300 -0.179 0.000 0.848 277 V CB 1.320 33.065 31.823 -0.131 0.000 0.998 277 V HN 0.775 nan 8.190 nan 0.000 0.424 278 L N 6.265 127.404 121.223 -0.139 0.000 2.371 278 L HA 0.651 4.991 4.340 -0.000 0.000 0.272 278 L C 0.462 177.075 176.870 -0.428 0.000 1.124 278 L CA -0.257 54.455 54.840 -0.213 0.000 0.816 278 L CB 0.771 42.427 42.059 -0.673 0.000 1.129 278 L HN 0.720 nan 8.230 nan 0.000 0.448 279 R N 2.721 123.196 120.500 -0.042 0.000 2.799 279 R HA 0.679 5.019 4.340 -0.000 0.000 0.270 279 R C -1.633 174.835 176.300 0.280 0.000 1.010 279 R CA -1.068 55.064 56.100 0.053 0.000 0.916 279 R CB 1.934 32.085 30.300 -0.248 0.000 1.228 279 R HN 0.333 nan 8.270 nan 0.000 0.469 280 L N 1.708 123.057 121.223 0.211 0.000 2.298 280 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 280 L C -1.591 175.326 176.870 0.078 0.000 1.013 280 L CA -0.557 54.395 54.840 0.186 0.000 0.824 280 L CB 0.753 42.855 42.059 0.072 0.000 1.221 280 L HN 0.521 nan 8.230 nan 0.000 0.418 281 Y N 3.065 123.574 120.300 0.348 0.000 2.361 281 Y HA 0.739 5.289 4.550 -0.000 0.000 0.332 281 Y C 0.585 176.674 175.900 0.314 0.000 1.101 281 Y CA -0.346 57.923 58.100 0.282 0.000 1.137 281 Y CB 1.887 40.468 38.460 0.201 0.000 1.207 281 Y HN 0.689 nan 8.280 nan 0.000 0.463 282 S N 0.539 116.483 115.700 0.406 0.000 2.579 282 S HA 0.316 4.786 4.470 -0.000 0.000 0.272 282 S C -1.589 173.131 174.600 0.199 0.000 1.141 282 S CA -1.070 57.284 58.200 0.257 0.000 0.843 282 S CB 1.499 64.835 63.200 0.226 0.000 1.122 282 S HN 0.760 nan 8.310 nan 0.000 0.468 283 H N 1.208 120.317 119.070 0.064 0.000 2.722 283 H HA 0.264 4.820 4.556 -0.000 0.000 0.328 283 H C 1.346 176.690 175.328 0.027 0.000 1.067 283 H CA 0.254 56.321 56.048 0.032 0.000 1.447 283 H CB 1.274 31.028 29.762 -0.013 0.000 1.469 283 H HN 0.545 nan 8.280 nan 0.000 0.544 284 V N 3.777 123.662 119.914 -0.047 0.000 2.370 284 V HA -0.242 3.878 4.120 -0.000 0.000 0.252 284 V C 1.383 177.557 176.094 0.134 0.000 1.068 284 V CA 1.876 64.199 62.300 0.038 0.000 1.061 284 V CB -0.428 31.369 31.823 -0.043 0.000 0.656 284 V HN 0.721 nan 8.190 nan 0.000 0.455 291 A N 0.689 123.344 122.820 -0.273 0.000 1.883 291 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 291 A C 1.807 179.495 177.584 0.174 0.000 1.186 291 A CA 1.927 53.590 52.037 -0.625 0.000 0.624 291 A CB -1.087 17.570 19.000 -0.573 0.000 0.822 291 A HN 0.488 nan 8.150 nan 0.000 0.444 292 H N -0.935 118.196 119.070 0.102 0.000 2.353 292 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 292 H C 2.575 178.054 175.328 0.251 0.000 1.090 292 H CA 1.020 57.227 56.048 0.264 0.000 1.327 292 H CB -0.025 29.760 29.762 0.039 0.000 1.383 292 H HN 0.569 nan 8.280 nan 0.000 0.508 293 A N 0.990 123.973 122.820 0.272 0.000 1.902 293 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 293 A C 2.211 179.902 177.584 0.178 0.000 1.181 293 A CA 1.476 53.621 52.037 0.179 0.000 0.623 293 A CB -1.091 17.998 19.000 0.148 0.000 0.818 293 A HN 0.645 nan 8.150 nan 0.000 0.443 294 W N -0.009 121.320 121.300 0.048 0.000 2.355 294 W HA -0.207 4.453 4.660 -0.000 0.000 0.309 294 W C 2.004 178.495 176.519 -0.047 0.000 1.206 294 W CA 2.350 59.734 57.345 0.065 0.000 1.284 294 W CB -0.288 29.318 29.460 0.243 0.000 1.145 294 W HN 0.351 nan 8.180 nan 0.000 0.502 295 M N 0.545 120.095 119.600 -0.083 0.000 2.159 295 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 295 M C 1.913 177.888 176.300 -0.542 0.000 1.063 295 M CA 1.854 56.827 55.300 -0.546 0.000 1.110 295 M CB -0.901 31.397 32.600 -0.503 0.000 1.374 295 M HN 0.163 nan 8.290 nan 0.000 0.411 296 I N -0.467 119.924 120.570 -0.299 0.000 2.163 296 I HA -0.243 3.926 4.170 -0.000 0.000 0.243 296 I C 2.334 178.241 176.117 -0.350 0.000 1.085 296 I CA 1.576 62.681 61.300 -0.326 0.000 1.347 296 I CB -1.122 36.745 38.000 -0.223 0.000 1.044 296 I HN 0.496 nan 8.210 nan 0.000 0.408 297 G N -0.400 108.224 108.800 -0.293 0.000 2.432 297 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 297 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 297 G C 1.557 176.243 174.900 -0.356 0.000 1.135 297 G CA 0.247 45.188 45.100 -0.266 0.000 0.767 297 G HN 0.268 nan 8.290 nan 0.000 0.550 298 Q N -0.075 119.381 119.800 -0.573 0.000 2.030 298 Q HA -0.051 4.288 4.340 -0.000 0.000 0.204 298 Q C 2.633 178.379 176.000 -0.422 0.000 0.986 298 Q CA 0.907 56.342 55.803 -0.613 0.000 0.843 298 Q CB -0.598 27.571 28.738 -0.948 0.000 0.904 298 Q HN 0.421 nan 8.270 nan 0.000 0.420 299 L N 0.848 121.817 121.223 -0.424 0.000 2.362 299 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 299 L C 2.147 178.923 176.870 -0.157 0.000 1.134 299 L CA 1.265 55.910 54.840 -0.325 0.000 0.807 299 L CB -0.425 41.389 42.059 -0.408 0.000 0.927 299 L HN 0.100 nan 8.230 nan 0.000 0.447 300 K N -0.542 119.761 120.400 -0.162 0.000 1.978 300 K HA -0.098 4.222 4.320 -0.000 0.000 0.214 300 K C 1.886 178.458 176.600 -0.046 0.000 1.049 300 K CA 1.515 57.754 56.287 -0.081 0.000 0.939 300 K CB -0.632 31.812 32.500 -0.094 0.000 0.721 300 K HN 0.377 nan 8.250 nan 0.000 0.441 301 G N 0.343 109.101 108.800 -0.071 0.000 2.985 301 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.209 301 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.209 301 G C 0.075 174.946 174.900 -0.048 0.000 1.165 301 G CA -0.382 44.690 45.100 -0.046 0.000 0.776 301 G HN 0.088 nan 8.290 nan 0.000 0.541 302 L N 1.772 122.950 121.223 -0.075 0.000 2.667 302 L HA 0.080 4.420 4.340 -0.000 0.000 0.278 302 L C -0.108 176.737 176.870 -0.040 0.000 1.217 302 L CA -0.338 54.451 54.840 -0.085 0.000 0.935 302 L CB 0.391 42.364 42.059 -0.144 0.000 1.193 302 L HN 0.063 nan 8.230 nan 0.000 0.493 303 D N 4.839 125.208 120.400 -0.051 0.000 2.339 303 D HA 0.136 4.776 4.640 -0.000 0.000 0.241 303 D C 0.927 177.180 176.300 -0.079 0.000 1.183 303 D CA -0.279 53.698 54.000 -0.038 0.000 0.859 303 D CB 0.618 41.401 40.800 -0.028 0.000 1.067 303 D HN 0.411 nan 8.370 nan 0.000 0.484 304 I N 1.723 122.227 120.570 -0.111 0.000 2.731 304 I HA -0.021 4.149 4.170 -0.000 0.000 0.260 304 I C 1.074 177.038 176.117 -0.255 0.000 1.138 304 I CA 0.287 61.409 61.300 -0.297 0.000 1.461 304 I CB -1.270 36.330 38.000 -0.667 0.000 1.128 304 I HN 0.265 nan 8.210 nan 0.000 0.438 305 S N 0.000 115.641 115.700 -0.098 0.000 2.498 305 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 305 S CA 0.000 58.239 58.200 0.065 0.000 1.107 305 S CB 0.000 63.273 63.200 0.121 0.000 0.593 305 S HN 0.000 nan 8.310 nan 0.000 0.517