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 1fkw_1_A DATA FIRST_RESID 4 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TEDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.691 174.700 -0.014 0.000 1.109 4 T CA 0.000 62.092 62.100 -0.014 0.000 1.349 4 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 5 P HA 0.440 nan 4.420 nan 0.000 0.271 5 P C 0.952 178.251 177.300 -0.002 0.000 1.218 5 P CA -0.314 62.760 63.100 -0.044 0.000 0.780 5 P CB 0.683 32.328 31.700 -0.091 0.000 0.901 6 A N 2.114 124.945 122.820 0.018 0.000 1.972 6 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 6 A C 0.584 178.297 177.584 0.215 0.000 1.169 6 A CA 1.260 53.377 52.037 0.133 0.000 0.635 6 A CB -0.684 18.409 19.000 0.156 0.000 0.810 6 A HN 0.516 nan 8.150 nan 0.000 0.446 7 F N -0.116 119.689 119.950 -0.241 0.000 3.090 7 F HA 0.396 4.922 4.527 -0.001 0.000 0.381 7 F C -0.430 175.206 175.800 -0.274 0.000 1.231 7 F CA -1.737 56.096 58.000 -0.277 0.000 1.177 7 F CB 0.651 39.248 39.000 -0.671 0.000 1.598 7 F HN 0.023 nan 8.300 nan 0.000 0.589 8 N N 4.899 123.383 118.700 -0.361 0.000 3.243 8 N HA 0.173 4.912 4.740 -0.001 0.000 0.310 8 N C -0.919 174.304 175.510 -0.480 0.000 1.313 8 N CA 0.378 53.224 53.050 -0.340 0.000 1.204 8 N CB -0.125 38.250 38.487 -0.186 0.000 1.483 8 N HN 0.560 nan 8.380 nan 0.000 0.553 9 K N -0.108 119.836 120.400 -0.759 0.000 2.533 9 K HA 0.447 4.767 4.320 -0.001 0.000 0.272 9 K C -2.811 173.584 176.600 -0.341 0.000 0.985 9 K CA -2.045 53.878 56.287 -0.607 0.000 0.876 9 K CB 1.733 33.676 32.500 -0.928 0.000 1.452 9 K HN -0.034 nan 8.250 nan 0.000 0.439 10 P HA -0.027 nan 4.420 nan 0.000 0.265 10 P C -1.187 176.207 177.300 0.156 0.000 1.187 10 P CA 0.424 63.540 63.100 0.027 0.000 0.766 10 P CB 0.440 32.148 31.700 0.014 0.000 0.820 11 K N 0.781 121.248 120.400 0.113 0.000 2.433 11 K HA 0.711 5.030 4.320 -0.001 0.000 0.252 11 K C -1.309 175.389 176.600 0.163 0.000 1.015 11 K CA -1.065 55.337 56.287 0.191 0.000 0.860 11 K CB 1.986 34.560 32.500 0.123 0.000 1.359 11 K HN 0.018 nan 8.250 nan 0.000 0.452 12 V N 1.080 121.114 119.914 0.201 0.000 2.588 12 V HA 0.320 4.440 4.120 -0.001 0.000 0.304 12 V C -0.960 175.242 176.094 0.180 0.000 1.042 12 V CA -0.679 61.737 62.300 0.193 0.000 0.877 12 V CB 1.651 33.595 31.823 0.201 0.000 0.996 12 V HN 0.720 nan 8.190 nan 0.000 0.425 13 E N 3.029 123.308 120.200 0.133 0.000 2.199 13 E HA 0.453 4.802 4.350 -0.001 0.000 0.265 13 E C -0.642 176.009 176.600 0.085 0.000 0.882 13 E CA -0.631 55.849 56.400 0.134 0.000 0.759 13 E CB 1.789 31.572 29.700 0.139 0.000 1.148 13 E HN 0.495 nan 8.360 nan 0.000 0.412 14 L N 2.862 124.152 121.223 0.111 0.000 2.638 14 L HA 0.218 4.558 4.340 -0.001 0.000 0.232 14 L C -0.001 176.895 176.870 0.045 0.000 1.099 14 L CA 0.498 55.367 54.840 0.048 0.000 0.883 14 L CB -0.097 41.975 42.059 0.022 0.000 1.136 14 L HN 0.550 nan 8.230 nan 0.000 0.492 15 H N -0.700 118.406 119.070 0.059 0.000 2.854 15 H HA 0.620 5.175 4.556 -0.001 0.000 0.275 15 H C -1.479 173.917 175.328 0.114 0.000 1.198 15 H CA -0.231 55.840 56.048 0.037 0.000 1.489 15 H CB 1.215 30.981 29.762 0.005 0.000 1.519 15 H HN -0.193 nan 8.280 nan 0.000 0.503 16 V N 5.196 125.235 119.914 0.209 0.000 2.891 16 V HA 0.266 4.385 4.120 -0.001 0.000 0.304 16 V C -1.385 174.811 176.094 0.169 0.000 1.171 16 V CA -0.574 61.921 62.300 0.325 0.000 0.943 16 V CB 1.886 33.947 31.823 0.396 0.000 1.037 16 V HN 0.783 nan 8.190 nan 0.000 0.427 17 H N 6.040 125.290 119.070 0.299 0.000 2.527 17 H HA 0.278 4.834 4.556 -0.001 0.000 0.321 17 H C 0.653 176.056 175.328 0.124 0.000 1.087 17 H CA -0.126 56.068 56.048 0.242 0.000 1.337 17 H CB 2.366 32.352 29.762 0.373 0.000 1.440 17 H HN 0.691 nan 8.280 nan 0.000 0.490 18 L N 3.283 124.564 121.223 0.096 0.000 2.017 18 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 18 L C 1.705 178.633 176.870 0.097 0.000 1.073 18 L CA 1.954 56.723 54.840 -0.118 0.000 0.745 18 L CB -0.517 41.396 42.059 -0.243 0.000 0.894 18 L HN 0.698 nan 8.230 nan 0.000 0.432 19 D N -1.393 119.155 120.400 0.247 0.000 2.378 19 D HA -0.017 4.623 4.640 -0.001 0.000 0.227 19 D C 1.671 178.226 176.300 0.425 0.000 1.012 19 D CA 0.936 55.143 54.000 0.345 0.000 0.905 19 D CB -0.677 40.380 40.800 0.430 0.000 0.895 19 D HN 0.424 nan 8.370 nan 0.000 0.532 20 G N -0.952 108.068 108.800 0.366 0.000 3.324 20 G HA2 0.428 4.388 3.960 -0.001 0.000 0.251 20 G HA3 0.428 4.388 3.960 -0.001 0.000 0.251 20 G C 0.404 175.392 174.900 0.148 0.000 1.072 20 G CA -0.020 45.216 45.100 0.226 0.000 0.787 20 G HN 0.396 nan 8.290 nan 0.000 0.537 21 A N 0.933 123.856 122.820 0.173 0.000 3.308 21 A HA 0.698 5.017 4.320 -0.001 0.000 0.275 21 A C -0.332 177.338 177.584 0.145 0.000 0.950 21 A CA -0.343 51.816 52.037 0.203 0.000 0.987 21 A CB -0.088 19.172 19.000 0.433 0.000 1.146 21 A HN 0.193 nan 8.150 nan 0.000 0.488 22 I N -0.023 120.549 120.570 0.004 0.000 2.648 22 I HA 0.337 4.506 4.170 -0.001 0.000 0.304 22 I C -0.086 175.987 176.117 -0.073 0.000 1.009 22 I CA -0.961 60.321 61.300 -0.031 0.000 1.114 22 I CB 2.250 40.184 38.000 -0.111 0.000 1.293 22 I HN 0.219 nan 8.210 nan 0.000 0.449 23 K N 4.919 125.302 120.400 -0.028 0.000 2.276 23 K HA 0.223 4.543 4.320 -0.001 0.000 0.283 23 K C -1.851 174.718 176.600 -0.051 0.000 1.044 23 K CA -1.262 55.006 56.287 -0.031 0.000 0.944 23 K CB 0.865 33.365 32.500 0.001 0.000 1.012 23 K HN 0.230 nan 8.250 nan 0.000 0.472 24 P HA -0.204 nan 4.420 nan 0.000 0.217 24 P C 0.273 177.563 177.300 -0.016 0.000 1.148 24 P CA 1.276 64.336 63.100 -0.067 0.000 0.828 24 P CB 0.314 31.981 31.700 -0.055 0.000 0.783 25 E N -1.287 118.912 120.200 -0.001 0.000 2.077 25 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 25 E C 1.918 178.559 176.600 0.068 0.000 0.989 25 E CA 1.604 58.016 56.400 0.020 0.000 0.800 25 E CB -1.355 28.345 29.700 0.000 0.000 0.746 25 E HN 0.233 nan 8.360 nan 0.000 0.452 26 T N 0.400 115.011 114.554 0.095 0.000 2.951 26 T HA 0.028 4.378 4.350 -0.001 0.000 0.268 26 T C 1.865 176.763 174.700 0.329 0.000 1.073 26 T CA 0.587 62.822 62.100 0.224 0.000 1.134 26 T CB -0.111 68.898 68.868 0.235 0.000 0.884 26 T HN 0.077 nan 8.240 nan 0.000 0.479 27 I N 0.480 121.149 120.570 0.165 0.000 2.202 27 I HA -0.100 4.070 4.170 -0.001 0.000 0.242 27 I C 2.225 178.425 176.117 0.140 0.000 1.091 27 I CA 0.731 62.110 61.300 0.133 0.000 1.368 27 I CB -0.255 37.735 38.000 -0.016 0.000 1.058 27 I HN 0.158 nan 8.210 nan 0.000 0.410 28 L N 0.146 121.425 121.223 0.094 0.000 2.046 28 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 28 L C 2.458 179.373 176.870 0.075 0.000 1.077 28 L CA 1.908 56.788 54.840 0.067 0.000 0.747 28 L CB -1.128 40.957 42.059 0.043 0.000 0.896 28 L HN 0.257 nan 8.230 nan 0.000 0.432 29 Y N -0.564 119.705 120.300 -0.052 0.000 2.097 29 Y HA -0.299 4.249 4.550 -0.002 0.000 0.282 29 Y C 2.228 177.997 175.900 -0.219 0.000 1.152 29 Y CA 1.884 59.873 58.100 -0.186 0.000 1.136 29 Y CB -0.731 37.532 38.460 -0.329 0.000 0.975 29 Y HN 0.175 nan 8.280 nan 0.000 0.498 30 F N 0.041 119.914 119.950 -0.129 0.000 2.502 30 F HA 0.074 4.601 4.527 0.001 0.000 0.298 30 F C 2.522 178.235 175.800 -0.145 0.000 1.111 30 F CA 0.959 58.823 58.000 -0.227 0.000 1.445 30 F CB -0.925 38.030 39.000 -0.075 0.000 1.081 30 F HN 0.145 nan 8.300 nan 0.000 0.558 31 G N 0.309 109.148 108.800 0.065 0.000 2.433 31 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 31 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 31 G C 1.810 176.699 174.900 -0.018 0.000 1.186 31 G CA 0.527 45.648 45.100 0.035 0.000 0.779 31 G HN 0.211 nan 8.290 nan 0.000 0.543 32 K N 0.348 120.712 120.400 -0.060 0.000 2.025 32 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 32 K C 2.442 178.966 176.600 -0.126 0.000 1.049 32 K CA 1.094 57.334 56.287 -0.078 0.000 0.933 32 K CB -0.208 32.249 32.500 -0.071 0.000 0.714 32 K HN 0.253 nan 8.250 nan 0.000 0.438 33 K N 1.371 121.618 120.400 -0.254 0.000 2.152 33 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 33 K C 1.741 178.268 176.600 -0.122 0.000 1.048 33 K CA 1.395 57.513 56.287 -0.283 0.000 0.933 33 K CB 0.130 32.269 32.500 -0.602 0.000 0.721 33 K HN 0.069 nan 8.250 nan 0.000 0.447 34 R N -1.351 119.114 120.500 -0.059 0.000 2.308 34 R HA 0.114 4.454 4.340 -0.001 0.000 0.202 34 R C 0.530 176.827 176.300 -0.006 0.000 0.898 34 R CA 0.487 56.582 56.100 -0.008 0.000 1.046 34 R CB 0.810 31.128 30.300 0.029 0.000 1.026 34 R HN 0.329 nan 8.270 nan 0.000 0.512 35 G N 2.267 111.057 108.800 -0.016 0.000 2.298 35 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.287 35 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.287 35 G C -0.116 174.789 174.900 0.008 0.000 1.075 35 G CA -0.049 45.048 45.100 -0.006 0.000 0.960 35 G HN 0.214 nan 8.290 nan 0.000 0.502 36 I N 0.299 120.877 120.570 0.013 0.000 2.474 36 I HA 0.630 4.800 4.170 -0.001 0.000 0.294 36 I C 0.777 176.910 176.117 0.026 0.000 1.005 36 I CA -0.931 60.383 61.300 0.023 0.000 1.113 36 I CB 1.993 40.007 38.000 0.024 0.000 1.289 36 I HN 0.346 nan 8.210 nan 0.000 0.436 37 A N 6.823 129.663 122.820 0.033 0.000 2.354 37 A HA 0.660 4.980 4.320 -0.001 0.000 0.269 37 A C -0.592 177.023 177.584 0.052 0.000 1.109 37 A CA -0.241 51.819 52.037 0.038 0.000 0.800 37 A CB 0.477 19.501 19.000 0.040 0.000 1.045 37 A HN 0.508 nan 8.150 nan 0.000 0.489 38 L N 2.622 123.873 121.223 0.046 0.000 2.303 38 L HA 0.503 4.843 4.340 -0.001 0.000 0.266 38 L C -1.318 175.570 176.870 0.031 0.000 1.011 38 L CA -1.480 53.391 54.840 0.052 0.000 0.818 38 L CB 1.206 43.286 42.059 0.034 0.000 1.326 38 L HN 0.594 nan 8.230 nan 0.000 0.435 39 P HA 0.126 nan 4.420 nan 0.000 0.245 39 P C -0.278 176.980 177.300 -0.071 0.000 1.212 39 P CA 0.422 63.487 63.100 -0.057 0.000 0.774 39 P CB 0.900 32.443 31.700 -0.260 0.000 0.999 40 A N -0.209 122.579 122.820 -0.054 0.000 2.601 40 A HA 0.465 4.784 4.320 -0.001 0.000 0.291 40 A C -0.958 176.612 177.584 -0.023 0.000 1.075 40 A CA -0.583 51.428 52.037 -0.043 0.000 0.671 40 A CB 0.524 19.486 19.000 -0.063 0.000 1.277 40 A HN -0.117 nan 8.150 nan 0.000 0.417 41 D N 0.792 121.182 120.400 -0.016 0.000 2.623 41 D HA 0.234 4.873 4.640 -0.001 0.000 0.252 41 D C -0.669 175.626 176.300 -0.007 0.000 1.294 41 D CA 0.445 54.440 54.000 -0.008 0.000 0.824 41 D CB 1.082 41.880 40.800 -0.004 0.000 1.070 41 D HN 0.393 nan 8.370 nan 0.000 0.487 42 T N 0.166 114.713 114.554 -0.012 0.000 2.952 42 T HA 0.073 4.422 4.350 -0.001 0.000 0.305 42 T C 1.368 176.059 174.700 -0.016 0.000 1.064 42 T CA -0.540 61.553 62.100 -0.011 0.000 1.008 42 T CB 2.975 71.836 68.868 -0.011 0.000 1.078 42 T HN -0.131 nan 8.240 nan 0.000 0.459 43 V N 2.194 122.101 119.914 -0.013 0.000 2.392 43 V HA -0.144 3.975 4.120 -0.001 0.000 0.249 43 V C 1.897 177.979 176.094 -0.020 0.000 1.059 43 V CA 1.965 64.255 62.300 -0.018 0.000 1.051 43 V CB -0.403 31.411 31.823 -0.014 0.000 0.658 43 V HN 0.773 nan 8.190 nan 0.000 0.455 44 E N 0.253 120.444 120.200 -0.014 0.000 2.047 44 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 44 E C 2.329 178.919 176.600 -0.016 0.000 0.987 44 E CA 1.522 57.916 56.400 -0.011 0.000 0.799 44 E CB -0.420 29.276 29.700 -0.005 0.000 0.752 44 E HN 0.623 nan 8.360 nan 0.000 0.449 45 E N -0.082 120.105 120.200 -0.021 0.000 2.216 45 E HA -0.062 4.288 4.350 -0.001 0.000 0.192 45 E C 1.916 178.484 176.600 -0.053 0.000 0.988 45 E CA 0.150 56.532 56.400 -0.031 0.000 0.834 45 E CB -0.097 29.586 29.700 -0.028 0.000 0.772 45 E HN 0.156 nan 8.360 nan 0.000 0.479 46 L N 0.886 122.077 121.223 -0.053 0.000 2.093 46 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 46 L C 2.335 179.157 176.870 -0.079 0.000 1.085 46 L CA 1.602 56.397 54.840 -0.075 0.000 0.755 46 L CB -0.226 41.800 42.059 -0.056 0.000 0.904 46 L HN -0.057 nan 8.230 nan 0.000 0.435 47 R N -0.990 119.479 120.500 -0.052 0.000 2.189 47 R HA -0.079 4.261 4.340 -0.001 0.000 0.218 47 R C 1.461 177.750 176.300 -0.017 0.000 1.074 47 R CA 1.048 57.126 56.100 -0.036 0.000 0.991 47 R CB -0.032 30.257 30.300 -0.018 0.000 0.883 47 R HN 0.420 nan 8.270 nan 0.000 0.457 48 N N 0.031 118.717 118.700 -0.023 0.000 2.415 48 N HA -0.019 4.720 4.740 -0.001 0.000 0.176 48 N C 1.344 176.837 175.510 -0.029 0.000 1.042 48 N CA 0.568 53.614 53.050 -0.006 0.000 0.902 48 N CB 0.205 38.691 38.487 -0.002 0.000 0.986 48 N HN 0.160 nan 8.380 nan 0.000 0.447 49 I N 0.709 121.223 120.570 -0.093 0.000 2.296 49 I HA -0.020 4.150 4.170 -0.001 0.000 0.242 49 I C 2.052 178.062 176.117 -0.178 0.000 1.087 49 I CA 0.694 61.880 61.300 -0.191 0.000 1.393 49 I CB -0.881 36.904 38.000 -0.359 0.000 1.093 49 I HN 0.004 nan 8.210 nan 0.000 0.421 50 I N 0.776 121.257 120.570 -0.148 0.000 2.202 50 I HA -0.116 4.054 4.170 -0.001 0.000 0.242 50 I C 1.660 177.808 176.117 0.052 0.000 1.091 50 I CA 0.739 62.041 61.300 0.004 0.000 1.368 50 I CB -0.780 37.225 38.000 0.008 0.000 1.058 50 I HN 0.177 nan 8.210 nan 0.000 0.410 51 G N 0.764 109.582 108.800 0.030 0.000 2.636 51 G HA2 0.409 4.369 3.960 -0.001 0.000 0.246 51 G HA3 0.409 4.369 3.960 -0.001 0.000 0.246 51 G C -0.441 174.533 174.900 0.123 0.000 1.216 51 G CA -0.388 44.758 45.100 0.076 0.000 0.854 51 G HN 0.020 nan 8.290 nan 0.000 0.572 52 M N 0.452 120.161 119.600 0.182 0.000 2.311 52 M HA 0.275 4.755 4.480 -0.001 0.000 0.325 52 M C -0.068 176.344 176.300 0.187 0.000 1.061 52 M CA -0.635 54.776 55.300 0.186 0.000 0.957 52 M CB 2.505 35.245 32.600 0.234 0.000 1.646 52 M HN 0.507 nan 8.290 nan 0.000 0.434 53 D N 1.592 122.078 120.400 0.143 0.000 2.379 53 D HA 0.147 4.786 4.640 -0.001 0.000 0.218 53 D C -0.067 176.315 176.300 0.137 0.000 1.006 53 D CA 0.985 55.081 54.000 0.161 0.000 0.893 53 D CB 0.865 41.741 40.800 0.127 0.000 1.019 53 D HN 0.470 nan 8.370 nan 0.000 0.503 54 K N 0.411 120.847 120.400 0.061 0.000 2.400 54 K HA 0.450 4.770 4.320 -0.001 0.000 0.246 54 K C -2.758 173.764 176.600 -0.130 0.000 0.995 54 K CA -1.808 54.473 56.287 -0.009 0.000 0.840 54 K CB 2.298 34.805 32.500 0.011 0.000 1.293 54 K HN -0.278 nan 8.250 nan 0.000 0.445 55 P HA 0.041 nan 4.420 nan 0.000 0.265 55 P C -0.795 176.410 177.300 -0.158 0.000 1.193 55 P CA 0.239 63.121 63.100 -0.363 0.000 0.765 55 P CB 0.516 31.921 31.700 -0.491 0.000 0.823 56 L N 0.974 122.140 121.223 -0.095 0.000 2.242 56 L HA 0.538 4.877 4.340 -0.001 0.000 0.261 56 L C 0.747 177.618 176.870 0.001 0.000 1.052 56 L CA -0.779 54.063 54.840 0.002 0.000 0.972 56 L CB 1.508 43.630 42.059 0.106 0.000 1.562 56 L HN 0.381 nan 8.230 nan 0.000 0.509 57 S N -0.816 114.919 115.700 0.057 0.000 2.745 57 S HA 0.269 4.738 4.470 -0.001 0.000 0.292 57 S C 0.454 175.143 174.600 0.148 0.000 1.133 57 S CA -0.605 57.630 58.200 0.057 0.000 0.998 57 S CB 1.424 64.650 63.200 0.044 0.000 1.087 57 S HN 0.482 nan 8.310 nan 0.000 0.551 58 L N 1.200 122.509 121.223 0.144 0.000 2.056 58 L HA 0.193 4.532 4.340 -0.001 0.000 0.207 58 L C -1.221 175.821 176.870 0.286 0.000 1.078 58 L CA 1.659 56.660 54.840 0.268 0.000 0.749 58 L CB -1.630 40.535 42.059 0.177 0.000 0.901 58 L HN 0.526 nan 8.230 nan 0.000 0.433 59 P HA -0.044 nan 4.420 nan 0.000 0.219 59 P C 1.548 178.885 177.300 0.061 0.000 1.150 59 P CA 1.557 64.700 63.100 0.072 0.000 0.814 59 P CB -0.263 31.459 31.700 0.036 0.000 0.787 60 G N -0.395 108.465 108.800 0.099 0.000 2.394 60 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.215 60 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.215 60 G C 1.355 176.330 174.900 0.125 0.000 1.165 60 G CA 0.402 45.556 45.100 0.090 0.000 0.784 60 G HN 0.267 nan 8.290 nan 0.000 0.535 61 F N 1.331 121.338 119.950 0.095 0.000 2.146 61 F HA 0.100 4.626 4.527 -0.001 0.000 0.298 61 F C 2.187 178.112 175.800 0.208 0.000 1.096 61 F CA 0.967 59.057 58.000 0.151 0.000 1.275 61 F CB -0.393 38.719 39.000 0.187 0.000 1.008 61 F HN 0.030 nan 8.300 nan 0.000 0.480 62 L N 0.568 121.462 121.223 -0.549 0.000 2.261 62 L HA -0.197 4.143 4.340 -0.001 0.000 0.216 62 L C 2.742 179.521 176.870 -0.152 0.000 1.114 62 L CA 0.997 55.524 54.840 -0.522 0.000 0.777 62 L CB -1.034 40.885 42.059 -0.233 0.000 0.910 62 L HN 0.410 nan 8.230 nan 0.000 0.440 63 A N -0.510 122.246 122.820 -0.107 0.000 2.066 63 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 63 A C 2.111 179.612 177.584 -0.137 0.000 1.157 63 A CA 0.816 52.797 52.037 -0.093 0.000 0.670 63 A CB -0.151 18.789 19.000 -0.100 0.000 0.804 63 A HN 0.198 nan 8.150 nan 0.000 0.453 64 K N -0.277 120.081 120.400 -0.070 0.000 2.211 64 K HA -0.142 4.178 4.320 -0.001 0.000 0.204 64 K C 1.239 177.755 176.600 -0.140 0.000 1.047 64 K CA 1.069 57.353 56.287 -0.004 0.000 0.935 64 K CB -0.714 31.799 32.500 0.021 0.000 0.728 64 K HN 0.576 nan 8.250 nan 0.000 0.452 65 F N 2.047 121.803 119.950 -0.323 0.000 2.293 65 F HA -0.107 4.420 4.527 0.001 0.000 0.300 65 F C 1.743 177.140 175.800 -0.672 0.000 1.086 65 F CA 0.918 58.544 58.000 -0.623 0.000 1.375 65 F CB -0.439 38.355 39.000 -0.343 0.000 1.045 65 F HN 0.014 nan 8.300 nan 0.000 0.516 66 D N -0.800 119.479 120.400 -0.201 0.000 2.182 66 D HA -0.212 4.428 4.640 -0.001 0.000 0.201 66 D C 2.023 178.158 176.300 -0.275 0.000 0.986 66 D CA 1.361 55.256 54.000 -0.176 0.000 0.847 66 D CB -0.548 40.146 40.800 -0.176 0.000 0.942 66 D HN 0.255 nan 8.370 nan 0.000 0.467 67 Y N -0.494 119.698 120.300 -0.181 0.000 2.181 67 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 67 Y C 2.102 177.948 175.900 -0.089 0.000 1.146 67 Y CA 1.165 59.212 58.100 -0.089 0.000 1.164 67 Y CB -0.736 37.736 38.460 0.019 0.000 0.982 67 Y HN 0.264 nan 8.280 nan 0.000 0.515 68 Y N -5.531 114.763 120.300 -0.011 0.000 2.467 68 Y HA 0.253 4.803 4.550 -0.000 0.000 0.259 68 Y C 1.803 177.554 175.900 -0.250 0.000 1.084 68 Y CA -0.257 57.783 58.100 -0.100 0.000 1.275 68 Y CB -0.795 37.624 38.460 -0.067 0.000 1.208 68 Y HN -0.197 nan 8.280 nan 0.000 0.511 69 M N 1.590 120.742 119.600 -0.746 0.000 2.143 69 M HA -0.104 4.376 4.480 -0.001 0.000 0.258 69 M C -0.816 174.985 176.300 -0.831 0.000 1.071 69 M CA 1.573 56.377 55.300 -0.827 0.000 1.088 69 M CB -2.188 29.506 32.600 -1.510 0.000 1.360 69 M HN 0.229 nan 8.290 nan 0.000 0.404 70 P HA -0.065 nan 4.420 nan 0.000 0.220 70 P C 1.853 179.041 177.300 -0.186 0.000 1.148 70 P CA 0.878 63.725 63.100 -0.422 0.000 0.803 70 P CB -0.077 31.509 31.700 -0.190 0.000 0.782 71 V N -0.601 119.236 119.914 -0.128 0.000 2.515 71 V HA -0.166 3.953 4.120 -0.001 0.000 0.250 71 V C 2.099 178.149 176.094 -0.073 0.000 1.058 71 V CA 1.456 63.739 62.300 -0.030 0.000 1.064 71 V CB -0.747 31.106 31.823 0.050 0.000 0.675 71 V HN 0.063 nan 8.190 nan 0.000 0.461 72 I N -0.154 120.340 120.570 -0.127 0.000 2.556 72 I HA 0.198 4.368 4.170 -0.001 0.000 0.251 72 I C 1.568 177.589 176.117 -0.160 0.000 1.105 72 I CA 0.637 61.821 61.300 -0.194 0.000 1.436 72 I CB -1.295 36.632 38.000 -0.123 0.000 1.139 72 I HN 0.231 nan 8.210 nan 0.000 0.438 73 A N 0.881 123.628 122.820 -0.121 0.000 2.587 73 A HA 0.302 4.622 4.320 -0.001 0.000 0.233 73 A C 1.580 179.159 177.584 -0.009 0.000 1.049 73 A CA 1.096 53.120 52.037 -0.022 0.000 0.754 73 A CB -0.555 18.490 19.000 0.075 0.000 0.977 73 A HN 0.870 nan 8.150 nan 0.000 0.509 74 G N 0.144 108.949 108.800 0.009 0.000 2.245 74 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.264 74 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.264 74 G C 0.550 175.435 174.900 -0.025 0.000 0.985 74 G CA 0.568 45.671 45.100 0.005 0.000 0.625 74 G HN 1.652 nan 8.290 nan 0.000 0.536 75 C N 2.131 121.388 119.300 -0.072 0.000 2.239 75 C HA 0.648 5.107 4.460 -0.001 0.000 0.325 75 C C 2.104 177.033 174.990 -0.102 0.000 1.231 75 C CA -0.333 58.633 59.018 -0.087 0.000 1.652 75 C CB -0.196 27.460 27.740 -0.140 0.000 2.284 75 C HN 0.534 nan 8.230 nan 0.000 0.499 76 R N 1.846 122.319 120.500 -0.046 0.000 2.096 76 R HA -0.193 4.146 4.340 -0.001 0.000 0.240 76 R C 2.064 178.347 176.300 -0.029 0.000 1.139 76 R CA 2.122 58.201 56.100 -0.034 0.000 0.952 76 R CB -0.177 30.120 30.300 -0.005 0.000 0.854 76 R HN 0.856 nan 8.270 nan 0.000 0.436 77 E N 0.664 120.872 120.200 0.013 0.000 2.085 77 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 77 E C 1.916 178.531 176.600 0.023 0.000 0.994 77 E CA 1.319 57.770 56.400 0.086 0.000 0.801 77 E CB -0.022 29.814 29.700 0.226 0.000 0.743 77 E HN 0.398 nan 8.360 nan 0.000 0.453 78 A N 1.002 123.653 122.820 -0.282 0.000 1.872 78 A HA -0.097 4.222 4.320 -0.001 0.000 0.214 78 A C 2.178 179.587 177.584 -0.292 0.000 1.187 78 A CA 1.156 52.772 52.037 -0.701 0.000 0.614 78 A CB -0.597 17.591 19.000 -1.352 0.000 0.826 78 A HN 0.315 nan 8.150 nan 0.000 0.442 79 I N -0.230 120.211 120.570 -0.215 0.000 2.118 79 I HA -0.331 3.839 4.170 -0.001 0.000 0.241 79 I C 2.580 178.641 176.117 -0.094 0.000 1.070 79 I CA 2.137 63.347 61.300 -0.150 0.000 1.327 79 I CB -0.242 37.680 38.000 -0.130 0.000 1.034 79 I HN 0.401 nan 8.210 nan 0.000 0.405 80 K N 0.850 121.222 120.400 -0.047 0.000 2.057 80 K HA -0.211 4.109 4.320 -0.001 0.000 0.207 80 K C 2.446 179.091 176.600 0.074 0.000 1.049 80 K CA 1.266 57.559 56.287 0.010 0.000 0.931 80 K CB -0.105 32.409 32.500 0.023 0.000 0.714 80 K HN 0.101 nan 8.250 nan 0.000 0.440 81 R N 1.248 121.801 120.500 0.087 0.000 2.073 81 R HA -0.129 4.210 4.340 -0.001 0.000 0.234 81 R C 2.442 178.854 176.300 0.188 0.000 1.134 81 R CA 1.903 58.105 56.100 0.170 0.000 0.952 81 R CB -0.490 29.956 30.300 0.242 0.000 0.850 81 R HN 0.499 nan 8.270 nan 0.000 0.433 82 I N -1.830 118.800 120.570 0.100 0.000 2.361 82 I HA -0.103 4.067 4.170 -0.001 0.000 0.251 82 I C 2.238 178.423 176.117 0.113 0.000 1.133 82 I CA 1.618 62.974 61.300 0.094 0.000 1.413 82 I CB -0.485 37.527 38.000 0.021 0.000 1.073 82 I HN 0.010 nan 8.210 nan 0.000 0.424 83 A N 1.052 123.917 122.820 0.075 0.000 1.855 83 A HA -0.224 4.096 4.320 -0.001 0.000 0.215 83 A C 2.378 180.080 177.584 0.197 0.000 1.191 83 A CA 1.738 53.824 52.037 0.081 0.000 0.613 83 A CB -1.315 17.695 19.000 0.016 0.000 0.829 83 A HN 0.662 nan 8.150 nan 0.000 0.442 84 Y N 1.064 121.430 120.300 0.111 0.000 2.128 84 Y HA -0.210 4.339 4.550 -0.001 0.000 0.284 84 Y C 2.180 178.173 175.900 0.155 0.000 1.154 84 Y CA 2.323 60.514 58.100 0.152 0.000 1.149 84 Y CB -0.232 38.310 38.460 0.137 0.000 0.976 84 Y HN 0.465 nan 8.280 nan 0.000 0.505 85 E N -0.771 119.546 120.200 0.196 0.000 2.338 85 E HA -0.181 4.168 4.350 -0.001 0.000 0.197 85 E C 1.795 178.358 176.600 -0.063 0.000 1.007 85 E CA 0.842 57.265 56.400 0.037 0.000 0.849 85 E CB -0.382 29.399 29.700 0.135 0.000 0.774 85 E HN 0.570 nan 8.360 nan 0.000 0.506 86 F N 1.277 121.170 119.950 -0.095 0.000 2.113 86 F HA -0.183 4.343 4.527 -0.001 0.000 0.297 86 F C 2.041 177.745 175.800 -0.160 0.000 1.103 86 F CA 0.980 58.924 58.000 -0.092 0.000 1.248 86 F CB -0.194 38.783 39.000 -0.039 0.000 0.999 86 F HN -0.224 nan 8.300 nan 0.000 0.475 87 V N 0.791 120.592 119.914 -0.188 0.000 2.332 87 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 87 V C 2.425 178.174 176.094 -0.575 0.000 1.055 87 V CA 2.300 64.430 62.300 -0.283 0.000 1.038 87 V CB -0.940 30.848 31.823 -0.059 0.000 0.651 87 V HN 0.480 nan 8.190 nan 0.000 0.450 88 E N -0.303 119.383 120.200 -0.857 0.000 2.085 88 E HA -0.262 4.088 4.350 -0.001 0.000 0.194 88 E C 2.256 178.408 176.600 -0.746 0.000 0.994 88 E CA 1.703 57.300 56.400 -1.338 0.000 0.801 88 E CB -0.150 28.831 29.700 -1.200 0.000 0.743 88 E HN 0.559 nan 8.360 nan 0.000 0.453 89 M N 0.191 119.468 119.600 -0.539 0.000 2.067 89 M HA -0.164 4.316 4.480 -0.001 0.000 0.260 89 M C 2.266 178.322 176.300 -0.406 0.000 1.069 89 M CA 1.346 56.406 55.300 -0.401 0.000 1.117 89 M CB -0.018 32.373 32.600 -0.349 0.000 1.334 89 M HN -0.080 nan 8.290 nan 0.000 0.407 90 K N 0.269 120.346 120.400 -0.539 0.000 2.097 90 K HA -0.055 4.265 4.320 -0.001 0.000 0.206 90 K C 2.019 178.449 176.600 -0.283 0.000 1.049 90 K CA 1.571 57.605 56.287 -0.422 0.000 0.933 90 K CB -0.853 31.326 32.500 -0.534 0.000 0.717 90 K HN 0.355 nan 8.250 nan 0.000 0.442 91 A N 2.064 124.696 122.820 -0.314 0.000 1.883 91 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 91 A C 2.074 179.552 177.584 -0.176 0.000 1.186 91 A CA 1.938 53.849 52.037 -0.209 0.000 0.624 91 A CB -0.407 18.447 19.000 -0.243 0.000 0.822 91 A HN 0.323 nan 8.150 nan 0.000 0.444 92 K N -0.261 120.005 120.400 -0.223 0.000 2.147 92 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 92 K C 1.591 178.111 176.600 -0.133 0.000 1.049 92 K CA 1.408 57.599 56.287 -0.160 0.000 0.936 92 K CB -0.178 32.221 32.500 -0.168 0.000 0.722 92 K HN 0.628 nan 8.250 nan 0.000 0.446 93 E N -0.050 120.063 120.200 -0.145 0.000 2.482 93 E HA -0.033 4.317 4.350 -0.001 0.000 0.196 93 E C 0.588 177.117 176.600 -0.118 0.000 1.047 93 E CA 0.333 56.660 56.400 -0.121 0.000 0.869 93 E CB 0.137 29.771 29.700 -0.110 0.000 0.836 93 E HN 0.486 nan 8.360 nan 0.000 0.520 94 G N 1.275 110.009 108.800 -0.110 0.000 2.204 94 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.244 94 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.244 94 G C -0.035 174.824 174.900 -0.069 0.000 1.062 94 G CA -0.030 45.012 45.100 -0.096 0.000 0.798 94 G HN 0.134 nan 8.290 nan 0.000 0.496 95 V N 1.013 120.891 119.914 -0.060 0.000 2.370 95 V HA 0.420 4.540 4.120 -0.001 0.000 0.279 95 V C 1.647 177.740 176.094 -0.002 0.000 1.029 95 V CA 0.058 62.345 62.300 -0.020 0.000 0.870 95 V CB 1.507 33.307 31.823 -0.039 0.000 0.984 95 V HN 0.806 nan 8.190 nan 0.000 0.451 96 V N 2.505 122.444 119.914 0.042 0.000 2.878 96 V HA 0.231 4.351 4.120 -0.001 0.000 0.250 96 V C 0.258 176.440 176.094 0.145 0.000 1.075 96 V CA 0.683 63.023 62.300 0.067 0.000 1.096 96 V CB -0.533 31.320 31.823 0.050 0.000 0.724 96 V HN 0.678 nan 8.190 nan 0.000 0.467 97 Y N 0.457 120.768 120.300 0.018 0.000 2.433 97 Y HA 0.712 5.262 4.550 -0.000 0.000 0.337 97 Y C -1.151 174.780 175.900 0.052 0.000 1.026 97 Y CA -1.318 56.800 58.100 0.031 0.000 1.037 97 Y CB 2.155 40.625 38.460 0.016 0.000 1.245 97 Y HN -0.037 nan 8.280 nan 0.000 0.443 98 V N 3.877 123.370 119.914 -0.702 0.000 2.925 98 V HA 0.538 4.658 4.120 -0.001 0.000 0.311 98 V C -1.192 174.557 176.094 -0.575 0.000 1.104 98 V CA -1.219 60.818 62.300 -0.439 0.000 0.954 98 V CB 2.118 33.917 31.823 -0.041 0.000 1.022 98 V HN 0.749 nan 8.190 nan 0.000 0.427 99 E N 1.734 121.766 120.200 -0.281 0.000 2.155 99 E HA 0.589 4.939 4.350 -0.001 0.000 0.264 99 E C -1.267 175.310 176.600 -0.038 0.000 0.886 99 E CA -0.627 55.687 56.400 -0.143 0.000 0.752 99 E CB 2.471 32.136 29.700 -0.057 0.000 1.133 99 E HN 0.574 nan 8.360 nan 0.000 0.414 100 V N 2.550 122.444 119.914 -0.033 0.000 2.539 100 V HA 0.527 4.647 4.120 -0.001 0.000 0.292 100 V C 0.204 176.269 176.094 -0.047 0.000 1.045 100 V CA -0.915 61.315 62.300 -0.118 0.000 0.945 100 V CB 0.966 32.594 31.823 -0.325 0.000 0.993 100 V HN 0.679 nan 8.190 nan 0.000 0.464 101 R N 3.316 123.784 120.500 -0.053 0.000 2.803 101 R HA 0.865 5.205 4.340 -0.001 0.000 0.276 101 R C -1.446 174.958 176.300 0.172 0.000 0.978 101 R CA -0.727 55.361 56.100 -0.021 0.000 0.939 101 R CB 2.149 32.357 30.300 -0.153 0.000 1.179 101 R HN 0.869 nan 8.270 nan 0.000 0.472 102 Y N -2.467 117.856 120.300 0.037 0.000 2.741 102 Y HA 0.429 4.979 4.550 -0.000 0.000 0.339 102 Y C -1.636 174.324 175.900 0.099 0.000 1.226 102 Y CA -1.209 56.955 58.100 0.108 0.000 1.072 102 Y CB 1.158 39.651 38.460 0.055 0.000 1.331 102 Y HN 0.638 nan 8.280 nan 0.000 0.453 103 S N 3.500 119.332 115.700 0.219 0.000 2.410 103 S HA 0.399 4.869 4.470 -0.001 0.000 0.304 103 S C -1.740 172.969 174.600 0.181 0.000 1.095 103 S CA -1.640 56.635 58.200 0.125 0.000 1.089 103 S CB 0.781 64.102 63.200 0.201 0.000 0.968 103 S HN 0.593 nan 8.310 nan 0.000 0.480 104 P HA -0.131 nan 4.420 nan 0.000 0.218 104 P C 0.628 177.840 177.300 -0.147 0.000 1.149 104 P CA 1.369 64.486 63.100 0.029 0.000 0.817 104 P CB -0.033 31.575 31.700 -0.154 0.000 0.785 105 H N 0.187 119.104 119.070 -0.256 0.000 2.353 105 H HA -0.006 4.550 4.556 -0.001 0.000 0.300 105 H C 2.002 177.112 175.328 -0.363 0.000 1.090 105 H CA 1.064 56.776 56.048 -0.561 0.000 1.327 105 H CB -1.030 27.896 29.762 -1.392 0.000 1.383 105 H HN 0.047 nan 8.280 nan 0.000 0.508 106 L N 0.321 121.541 121.223 -0.006 0.000 2.633 106 L HA -0.062 4.278 4.340 -0.001 0.000 0.235 106 L C 0.945 178.036 176.870 0.368 0.000 1.163 106 L CA 0.543 55.507 54.840 0.206 0.000 0.859 106 L CB -0.045 42.225 42.059 0.352 0.000 0.973 106 L HN 0.328 nan 8.230 nan 0.000 0.451 107 L N -1.231 120.101 121.223 0.181 0.000 2.817 107 L HA 0.335 4.675 4.340 -0.001 0.000 0.248 107 L C 1.152 178.064 176.870 0.069 0.000 1.133 107 L CA -0.350 54.578 54.840 0.147 0.000 0.935 107 L CB 0.306 42.412 42.059 0.077 0.000 1.266 107 L HN 0.095 nan 8.230 nan 0.000 0.535 108 A N 1.125 123.955 122.820 0.016 0.000 2.257 108 A HA 0.429 4.748 4.320 -0.001 0.000 0.289 108 A C 0.470 178.069 177.584 0.024 0.000 1.095 108 A CA -0.066 51.956 52.037 -0.024 0.000 0.836 108 A CB 0.263 19.195 19.000 -0.112 0.000 1.111 108 A HN 0.392 nan 8.150 nan 0.000 0.497 109 N N -1.024 117.685 118.700 0.014 0.000 2.301 109 N HA 0.177 4.917 4.740 -0.001 0.000 0.247 109 N C -0.730 174.791 175.510 0.019 0.000 1.347 109 N CA 0.383 53.455 53.050 0.038 0.000 0.844 109 N CB 0.599 39.117 38.487 0.053 0.000 1.332 109 N HN 0.450 nan 8.380 nan 0.000 0.494 110 S N 0.345 116.044 115.700 -0.002 0.000 2.537 110 S HA 0.438 4.907 4.470 -0.001 0.000 0.270 110 S C -1.031 173.560 174.600 -0.015 0.000 1.142 110 S CA -0.575 57.623 58.200 -0.002 0.000 0.870 110 S CB 0.657 63.856 63.200 -0.003 0.000 1.112 110 S HN 0.247 nan 8.310 nan 0.000 0.466 111 K N 0.892 121.291 120.400 -0.000 0.000 3.148 111 K HA -0.137 4.183 4.320 -0.001 0.000 0.267 111 K C -1.027 175.574 176.600 0.003 0.000 0.996 111 K CA 0.836 57.125 56.287 0.003 0.000 0.737 111 K CB -1.838 30.659 32.500 -0.005 0.000 1.308 111 K HN 0.394 nan 8.250 nan 0.000 0.470 112 V N 0.252 120.178 119.914 0.020 0.000 2.733 112 V HA 0.377 4.497 4.120 -0.001 0.000 0.306 112 V C -0.806 175.362 176.094 0.124 0.000 1.084 112 V CA -0.832 61.491 62.300 0.038 0.000 0.905 112 V CB 2.226 34.017 31.823 -0.053 0.000 1.010 112 V HN 0.302 nan 8.190 nan 0.000 0.424 113 D N 4.836 125.383 120.400 0.244 0.000 2.788 113 D HA 0.667 5.306 4.640 -0.001 0.000 0.247 113 D C -2.880 173.616 176.300 0.327 0.000 1.236 113 D CA -1.287 52.840 54.000 0.211 0.000 0.898 113 D CB 3.044 43.917 40.800 0.122 0.000 1.401 113 D HN 0.316 nan 8.370 nan 0.000 0.549 114 P HA 0.254 nan 4.420 nan 0.000 0.274 114 P C -0.622 176.779 177.300 0.168 0.000 1.231 114 P CA -0.701 62.477 63.100 0.130 0.000 0.790 114 P CB 0.522 32.248 31.700 0.043 0.000 0.951 115 M N 4.956 124.605 119.600 0.083 0.000 2.307 115 M HA 0.199 4.678 4.480 -0.001 0.000 0.346 115 M C -2.223 174.073 176.300 -0.006 0.000 1.552 115 M CA -1.853 53.478 55.300 0.052 0.000 1.116 115 M CB -0.294 32.332 32.600 0.043 0.000 1.889 115 M HN 0.181 nan 8.290 nan 0.000 0.460 116 P HA 0.092 nan 4.420 nan 0.000 0.274 116 P C -0.760 176.365 177.300 -0.291 0.000 1.237 116 P CA 0.085 62.940 63.100 -0.408 0.000 0.793 116 P CB 0.175 31.494 31.700 -0.636 0.000 0.977 117 W N -0.012 121.322 121.300 0.056 0.000 4.650 117 W HA -0.267 4.393 4.660 0.001 0.000 0.335 117 W C 0.324 176.858 176.519 0.025 0.000 1.222 117 W CA 0.591 57.953 57.345 0.028 0.000 0.807 117 W CB -3.300 26.173 29.460 0.022 0.000 2.290 117 W HN 0.541 nan 8.180 nan 0.000 1.514 118 N N -1.050 117.734 118.700 0.139 0.000 2.708 118 N HA -0.257 4.483 4.740 -0.001 0.000 0.249 118 N C 0.369 175.947 175.510 0.114 0.000 1.097 118 N CA 1.240 54.351 53.050 0.102 0.000 0.710 118 N CB -0.840 37.703 38.487 0.094 0.000 1.032 118 N HN 0.565 nan 8.380 nan 0.000 0.551 119 Q N 0.113 119.997 119.800 0.139 0.000 2.443 119 Q HA 0.265 4.604 4.340 -0.001 0.000 0.232 119 Q C 0.167 176.213 176.000 0.077 0.000 1.026 119 Q CA 0.220 56.095 55.803 0.120 0.000 0.924 119 Q CB 0.577 29.401 28.738 0.144 0.000 1.256 119 Q HN 0.180 nan 8.270 nan 0.000 0.519 120 T N 0.900 115.492 114.554 0.063 0.000 2.837 120 T HA 0.149 4.499 4.350 -0.001 0.000 0.285 120 T C -0.148 174.577 174.700 0.041 0.000 0.984 120 T CA -0.947 61.180 62.100 0.046 0.000 1.049 120 T CB 0.996 69.887 68.868 0.038 0.000 0.947 120 T HN 0.331 nan 8.240 nan 0.000 0.472 121 E N 1.411 121.632 120.200 0.034 0.000 2.829 121 E HA 0.114 4.464 4.350 -0.001 0.000 0.264 121 E C 0.588 177.203 176.600 0.025 0.000 0.922 121 E CA 0.693 57.110 56.400 0.028 0.000 0.960 121 E CB 0.556 30.269 29.700 0.023 0.000 0.918 121 E HN 0.892 nan 8.360 nan 0.000 0.497 122 G N 1.923 110.737 108.800 0.022 0.000 3.214 122 G HA2 0.218 4.177 3.960 -0.001 0.000 0.188 122 G HA3 0.218 4.177 3.960 -0.001 0.000 0.188 122 G C -0.350 174.557 174.900 0.012 0.000 1.126 122 G CA 0.060 45.171 45.100 0.018 0.000 0.796 122 G HN 0.511 nan 8.290 nan 0.000 0.631 123 D N -1.497 118.908 120.400 0.009 0.000 2.520 123 D HA 0.122 4.762 4.640 -0.001 0.000 0.223 123 D C 0.262 176.561 176.300 -0.001 0.000 1.186 123 D CA -0.106 53.897 54.000 0.005 0.000 0.821 123 D CB 0.450 41.254 40.800 0.007 0.000 1.072 123 D HN 0.204 nan 8.370 nan 0.000 0.518 124 V N 1.582 121.494 119.914 -0.004 0.000 2.326 124 V HA 0.227 4.347 4.120 -0.001 0.000 0.249 124 V C 0.771 176.848 176.094 -0.029 0.000 1.114 124 V CA -0.116 62.175 62.300 -0.015 0.000 1.028 124 V CB 0.117 31.931 31.823 -0.016 0.000 1.170 124 V HN 0.145 nan 8.190 nan 0.000 0.494 125 T N 7.086 121.619 114.554 -0.035 0.000 2.868 125 T HA 0.205 4.555 4.350 -0.001 0.000 0.292 125 T C -1.262 173.377 174.700 -0.102 0.000 1.028 125 T CA -1.093 60.973 62.100 -0.057 0.000 1.059 125 T CB 1.532 70.379 68.868 -0.034 0.000 0.991 125 T HN 0.390 nan 8.240 nan 0.000 0.531 126 P HA -0.102 nan 4.420 nan 0.000 0.216 126 P C 1.264 178.455 177.300 -0.182 0.000 1.150 126 P CA 0.735 63.660 63.100 -0.291 0.000 0.837 126 P CB 0.161 31.527 31.700 -0.556 0.000 0.786 127 D N -0.632 119.712 120.400 -0.094 0.000 2.117 127 D HA -0.171 4.469 4.640 -0.001 0.000 0.197 127 D C 1.191 177.487 176.300 -0.008 0.000 0.987 127 D CA 1.180 55.184 54.000 0.008 0.000 0.829 127 D CB -0.202 40.641 40.800 0.071 0.000 0.961 127 D HN 0.019 nan 8.370 nan 0.000 0.460 128 D N 0.237 120.626 120.400 -0.018 0.000 2.144 128 D HA -0.142 4.497 4.640 -0.001 0.000 0.199 128 D C 2.182 178.452 176.300 -0.051 0.000 0.984 128 D CA 0.875 54.865 54.000 -0.016 0.000 0.834 128 D CB -0.299 40.492 40.800 -0.014 0.000 0.955 128 D HN 0.289 nan 8.370 nan 0.000 0.465 129 V N -0.518 119.354 119.914 -0.070 0.000 2.427 129 V HA -0.171 3.949 4.120 -0.001 0.000 0.248 129 V C 2.139 178.186 176.094 -0.078 0.000 1.051 129 V CA 1.228 63.487 62.300 -0.067 0.000 1.048 129 V CB -0.543 31.253 31.823 -0.045 0.000 0.666 129 V HN 0.029 nan 8.190 nan 0.000 0.456 130 V N 1.431 121.267 119.914 -0.129 0.000 2.295 130 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 130 V C 2.610 178.497 176.094 -0.344 0.000 1.049 130 V CA 2.708 64.854 62.300 -0.257 0.000 1.024 130 V CB -1.010 30.442 31.823 -0.617 0.000 0.648 130 V HN 0.744 nan 8.190 nan 0.000 0.447 131 D N -0.201 120.016 120.400 -0.304 0.000 2.123 131 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 131 D C 1.943 178.217 176.300 -0.044 0.000 0.992 131 D CA 1.195 55.134 54.000 -0.102 0.000 0.833 131 D CB -0.159 40.677 40.800 0.061 0.000 0.954 131 D HN 0.186 nan 8.370 nan 0.000 0.455 132 L N 0.178 121.369 121.223 -0.052 0.000 2.046 132 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 132 L C 2.626 179.466 176.870 -0.050 0.000 1.077 132 L CA 0.943 55.760 54.840 -0.039 0.000 0.747 132 L CB -1.031 40.996 42.059 -0.053 0.000 0.896 132 L HN 0.061 nan 8.230 nan 0.000 0.432 133 V N -0.161 119.694 119.914 -0.099 0.000 2.358 133 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 133 V C 2.319 178.395 176.094 -0.030 0.000 1.047 133 V CA 1.384 63.610 62.300 -0.123 0.000 1.035 133 V CB -0.660 30.993 31.823 -0.284 0.000 0.658 133 V HN 0.448 nan 8.190 nan 0.000 0.452 134 N N 0.417 119.107 118.700 -0.018 0.000 2.018 134 N HA -0.221 4.518 4.740 -0.001 0.000 0.196 134 N C 1.919 177.464 175.510 0.058 0.000 1.043 134 N CA 1.747 54.816 53.050 0.031 0.000 0.856 134 N CB -0.499 38.010 38.487 0.037 0.000 1.042 134 N HN 0.571 nan 8.380 nan 0.000 0.423 135 Q N -0.468 119.362 119.800 0.051 0.000 2.112 135 Q HA -0.086 4.253 4.340 -0.001 0.000 0.206 135 Q C 2.111 178.167 176.000 0.094 0.000 0.987 135 Q CA 1.543 57.386 55.803 0.067 0.000 0.858 135 Q CB -0.416 28.352 28.738 0.051 0.000 0.905 135 Q HN 0.488 nan 8.270 nan 0.000 0.420 136 G N 0.507 109.363 108.800 0.093 0.000 2.403 136 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.216 136 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.216 136 G C 1.394 176.410 174.900 0.194 0.000 1.154 136 G CA 0.261 45.459 45.100 0.162 0.000 0.784 136 G HN 0.145 nan 8.290 nan 0.000 0.538 137 L N -0.109 121.192 121.223 0.130 0.000 2.027 137 L HA -0.120 4.219 4.340 -0.001 0.000 0.206 137 L C 3.205 180.158 176.870 0.138 0.000 1.074 137 L CA 1.245 56.165 54.840 0.133 0.000 0.745 137 L CB -0.496 41.625 42.059 0.105 0.000 0.898 137 L HN 0.293 nan 8.230 nan 0.000 0.433 138 Q N -0.115 119.759 119.800 0.124 0.000 2.050 138 Q HA -0.234 4.105 4.340 -0.001 0.000 0.202 138 Q C 2.077 178.153 176.000 0.127 0.000 0.980 138 Q CA 1.569 57.440 55.803 0.113 0.000 0.840 138 Q CB -0.188 28.607 28.738 0.095 0.000 0.898 138 Q HN 0.527 nan 8.270 nan 0.000 0.424 139 E N 0.243 120.540 120.200 0.162 0.000 2.085 139 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 139 E C 2.103 178.861 176.600 0.264 0.000 0.994 139 E CA 1.019 57.540 56.400 0.201 0.000 0.801 139 E CB -0.264 29.577 29.700 0.236 0.000 0.743 139 E HN 0.500 nan 8.360 nan 0.000 0.453 140 G N 1.071 110.043 108.800 0.288 0.000 2.408 140 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 140 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 140 G C 1.303 176.298 174.900 0.158 0.000 1.150 140 G CA 0.544 45.737 45.100 0.156 0.000 0.776 140 G HN 0.202 nan 8.290 nan 0.000 0.542 141 E N -0.015 120.262 120.200 0.129 0.000 2.051 141 E HA -0.174 4.176 4.350 -0.001 0.000 0.192 141 E C 2.682 179.315 176.600 0.056 0.000 0.991 141 E CA 1.180 57.642 56.400 0.103 0.000 0.799 141 E CB -0.092 29.666 29.700 0.097 0.000 0.748 141 E HN 0.358 nan 8.360 nan 0.000 0.449 142 Q N 0.109 119.932 119.800 0.038 0.000 2.096 142 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 142 Q C 1.926 177.881 176.000 -0.075 0.000 0.982 142 Q CA 1.846 57.648 55.803 -0.001 0.000 0.850 142 Q CB -0.173 28.571 28.738 0.011 0.000 0.901 142 Q HN 0.288 nan 8.270 nan 0.000 0.422 143 A N -1.294 121.426 122.820 -0.167 0.000 2.016 143 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 143 A C 1.156 178.298 177.584 -0.737 0.000 1.162 143 A CA 0.872 52.628 52.037 -0.468 0.000 0.662 143 A CB -0.097 18.537 19.000 -0.610 0.000 0.812 143 A HN 0.373 nan 8.150 nan 0.000 0.450 144 F N -1.578 118.360 119.950 -0.019 0.000 2.746 144 F HA 0.387 4.913 4.527 -0.001 0.000 0.313 144 F C 1.669 177.452 175.800 -0.029 0.000 1.095 144 F CA 0.106 58.080 58.000 -0.043 0.000 1.224 144 F CB 0.193 39.134 39.000 -0.099 0.000 1.060 144 F HN 0.282 nan 8.300 nan 0.000 0.584 145 G N 2.257 111.110 108.800 0.088 0.000 2.176 145 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.252 145 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.252 145 G C 0.172 175.118 174.900 0.076 0.000 1.024 145 G CA 0.479 45.618 45.100 0.066 0.000 0.755 145 G HN 0.509 nan 8.290 nan 0.000 0.507 146 I N -3.347 117.278 120.570 0.093 0.000 2.750 146 I HA 0.900 5.069 4.170 -0.001 0.000 0.308 146 I C -0.128 176.048 176.117 0.097 0.000 1.016 146 I CA -1.760 59.587 61.300 0.078 0.000 1.098 146 I CB 1.908 39.932 38.000 0.041 0.000 1.279 146 I HN -0.001 nan 8.210 nan 0.000 0.454 147 K N 3.186 123.666 120.400 0.133 0.000 2.183 147 K HA 0.676 4.996 4.320 -0.001 0.000 0.274 147 K C -1.545 175.128 176.600 0.122 0.000 1.009 147 K CA -0.464 55.934 56.287 0.185 0.000 0.888 147 K CB 1.583 34.256 32.500 0.289 0.000 1.078 147 K HN 0.611 nan 8.250 nan 0.000 0.459 148 V N 4.801 124.771 119.914 0.093 0.000 2.709 148 V HA 0.597 4.717 4.120 -0.001 0.000 0.308 148 V C -0.456 175.669 176.094 0.052 0.000 1.062 148 V CA -0.955 61.352 62.300 0.012 0.000 0.901 148 V CB 1.828 33.707 31.823 0.092 0.000 1.003 148 V HN 0.826 nan 8.190 nan 0.000 0.425 149 R N 1.636 122.128 120.500 -0.013 0.000 2.836 149 R HA 0.800 5.139 4.340 -0.001 0.000 0.269 149 R C -0.926 175.408 176.300 0.057 0.000 1.010 149 R CA -0.672 55.476 56.100 0.080 0.000 0.930 149 R CB 2.485 32.894 30.300 0.181 0.000 1.218 149 R HN 0.842 nan 8.270 nan 0.000 0.473 150 S N 0.389 116.140 115.700 0.086 0.000 2.600 150 S HA 0.711 5.180 4.470 -0.001 0.000 0.300 150 S C -0.161 174.461 174.600 0.037 0.000 1.087 150 S CA -0.835 57.406 58.200 0.069 0.000 0.965 150 S CB 1.577 64.852 63.200 0.125 0.000 1.089 150 S HN 0.465 nan 8.310 nan 0.000 0.496 151 I N 1.402 121.961 120.570 -0.019 0.000 2.498 151 I HA 0.355 4.525 4.170 -0.001 0.000 0.290 151 I C -1.011 174.988 176.117 -0.196 0.000 1.032 151 I CA -0.825 60.441 61.300 -0.057 0.000 1.073 151 I CB 1.799 39.793 38.000 -0.010 0.000 1.251 151 I HN 0.454 nan 8.210 nan 0.000 0.426 152 L N 5.134 126.231 121.223 -0.210 0.000 2.275 152 L HA 0.453 4.793 4.340 -0.001 0.000 0.288 152 L C -0.607 176.179 176.870 -0.141 0.000 1.046 152 L CA -0.576 54.084 54.840 -0.300 0.000 0.805 152 L CB 1.433 43.348 42.059 -0.241 0.000 1.193 152 L HN 0.617 nan 8.230 nan 0.000 0.426 153 C N 1.979 121.216 119.300 -0.105 0.000 2.401 153 C HA 0.421 4.880 4.460 -0.001 0.000 0.365 153 C C 0.654 175.697 174.990 0.089 0.000 1.250 153 C CA -0.781 58.255 59.018 0.031 0.000 2.131 153 C CB 0.650 28.446 27.740 0.094 0.000 2.445 153 C HN 0.798 nan 8.230 nan 0.000 0.550 154 C N 4.613 123.975 119.300 0.105 0.000 2.370 154 C HA 0.567 5.027 4.460 -0.001 0.000 0.354 154 C C 0.211 175.268 174.990 0.111 0.000 1.218 154 C CA -0.526 58.575 59.018 0.140 0.000 2.154 154 C CB 0.340 28.154 27.740 0.123 0.000 2.391 154 C HN 0.763 nan 8.230 nan 0.000 0.540 155 M N 2.880 122.575 119.600 0.158 0.000 2.238 155 M HA 0.322 4.802 4.480 -0.001 0.000 0.350 155 M C 1.266 177.621 176.300 0.092 0.000 1.138 155 M CA -0.078 55.273 55.300 0.084 0.000 1.040 155 M CB 1.111 33.742 32.600 0.053 0.000 1.639 155 M HN 0.750 nan 8.290 nan 0.000 0.451 156 R N 1.202 121.739 120.500 0.062 0.000 2.096 156 R HA -0.199 4.141 4.340 -0.001 0.000 0.240 156 R C 1.833 178.351 176.300 0.364 0.000 1.139 156 R CA 1.998 58.204 56.100 0.177 0.000 0.952 156 R CB -0.460 29.884 30.300 0.073 0.000 0.854 156 R HN 0.735 nan 8.270 nan 0.000 0.436 157 H N -0.375 118.769 119.070 0.123 0.000 2.546 157 H HA 0.037 4.592 4.556 -0.001 0.000 0.277 157 H C 0.067 175.312 175.328 -0.138 0.000 1.004 157 H CA 0.598 56.671 56.048 0.042 0.000 1.231 157 H CB 0.433 30.160 29.762 -0.059 0.000 1.382 157 H HN 0.068 nan 8.280 nan 0.000 0.580 158 Q N 1.622 121.001 119.800 -0.702 0.000 2.943 158 Q HA 0.207 4.546 4.340 -0.001 0.000 0.327 158 Q C -2.043 173.637 176.000 -0.533 0.000 0.937 158 Q CA -1.773 53.462 55.803 -0.946 0.000 0.914 158 Q CB 1.744 29.376 28.738 -1.844 0.000 1.339 158 Q HN 0.442 nan 8.270 nan 0.000 0.417 159 P HA -0.097 nan 4.420 nan 0.000 0.234 159 P C 0.952 178.102 177.300 -0.249 0.000 1.167 159 P CA 0.808 63.642 63.100 -0.443 0.000 0.763 159 P CB 0.341 31.632 31.700 -0.682 0.000 0.835 160 S N -2.716 112.809 115.700 -0.293 0.000 2.461 160 S HA -0.057 4.413 4.470 -0.001 0.000 0.228 160 S C 1.600 176.221 174.600 0.034 0.000 1.005 160 S CA 0.042 58.157 58.200 -0.143 0.000 0.942 160 S CB -1.015 62.085 63.200 -0.166 0.000 0.776 160 S HN 0.090 nan 8.310 nan 0.000 0.514 161 W N 2.509 123.672 121.300 -0.230 0.000 2.518 161 W HA 0.330 4.989 4.660 -0.001 0.000 0.273 161 W C 2.559 178.977 176.519 -0.168 0.000 1.247 161 W CA -0.512 56.608 57.345 -0.375 0.000 1.288 161 W CB -1.462 27.557 29.460 -0.735 0.000 1.107 161 W HN 0.290 nan 8.180 nan 0.000 0.586 162 S N 1.220 117.021 115.700 0.169 0.000 2.381 162 S HA -0.232 4.238 4.470 -0.001 0.000 0.230 162 S C 1.940 176.608 174.600 0.113 0.000 1.052 162 S CA 1.715 60.019 58.200 0.173 0.000 1.068 162 S CB -0.782 62.572 63.200 0.257 0.000 0.918 162 S HN 0.200 nan 8.310 nan 0.000 0.448 163 L N 0.795 122.072 121.223 0.090 0.000 2.201 163 L HA -0.073 4.266 4.340 -0.001 0.000 0.212 163 L C 2.613 179.525 176.870 0.069 0.000 1.105 163 L CA 1.082 55.959 54.840 0.061 0.000 0.775 163 L CB -0.380 41.707 42.059 0.046 0.000 0.913 163 L HN 0.387 nan 8.230 nan 0.000 0.440 164 E N 0.058 120.327 120.200 0.114 0.000 2.072 164 E HA -0.156 4.193 4.350 -0.001 0.000 0.190 164 E C 2.239 178.914 176.600 0.125 0.000 0.982 164 E CA 0.915 57.395 56.400 0.132 0.000 0.803 164 E CB 0.221 30.050 29.700 0.216 0.000 0.755 164 E HN 0.223 nan 8.360 nan 0.000 0.453 165 V N 1.542 121.555 119.914 0.165 0.000 2.332 165 V HA -0.269 3.851 4.120 -0.001 0.000 0.248 165 V C 2.459 178.565 176.094 0.019 0.000 1.055 165 V CA 1.647 64.006 62.300 0.097 0.000 1.038 165 V CB -0.573 31.306 31.823 0.095 0.000 0.651 165 V HN 0.370 nan 8.190 nan 0.000 0.450 166 L N 0.234 121.458 121.223 0.002 0.000 2.042 166 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 166 L C 2.441 179.301 176.870 -0.017 0.000 1.076 166 L CA 1.976 56.791 54.840 -0.041 0.000 0.749 166 L CB -0.831 41.197 42.059 -0.052 0.000 0.893 166 L HN 0.266 nan 8.230 nan 0.000 0.432 167 E N -0.446 119.760 120.200 0.010 0.000 2.150 167 E HA -0.161 4.188 4.350 -0.001 0.000 0.193 167 E C 2.218 178.838 176.600 0.034 0.000 0.985 167 E CA 0.915 57.323 56.400 0.013 0.000 0.814 167 E CB -0.336 29.377 29.700 0.021 0.000 0.752 167 E HN 0.357 nan 8.360 nan 0.000 0.466 168 L N 0.346 121.605 121.223 0.060 0.000 2.093 168 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 168 L C 2.437 179.404 176.870 0.161 0.000 1.085 168 L CA 1.096 56.020 54.840 0.139 0.000 0.755 168 L CB -1.024 41.078 42.059 0.072 0.000 0.904 168 L HN 0.163 nan 8.230 nan 0.000 0.435 169 C N -0.803 118.529 119.300 0.054 0.000 2.425 169 C HA -0.157 4.303 4.460 -0.001 0.000 0.277 169 C C 2.711 177.715 174.990 0.023 0.000 1.280 169 C CA 0.454 59.488 59.018 0.027 0.000 1.744 169 C CB -0.655 27.059 27.740 -0.044 0.000 1.989 169 C HN 0.471 nan 8.230 nan 0.000 0.491 170 K N 0.975 121.373 120.400 -0.003 0.000 2.026 170 K HA -0.180 4.140 4.320 -0.001 0.000 0.208 170 K C 2.189 178.764 176.600 -0.042 0.000 1.048 170 K CA 1.368 57.638 56.287 -0.028 0.000 0.929 170 K CB -0.206 32.273 32.500 -0.036 0.000 0.713 170 K HN 0.452 nan 8.250 nan 0.000 0.439 171 K N 0.276 120.641 120.400 -0.058 0.000 2.026 171 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 171 K C 0.744 177.164 176.600 -0.301 0.000 1.048 171 K CA 1.434 57.596 56.287 -0.208 0.000 0.929 171 K CB 0.009 32.330 32.500 -0.298 0.000 0.713 171 K HN 0.117 nan 8.250 nan 0.000 0.439 172 Y N 1.433 121.728 120.300 -0.009 0.000 2.801 172 Y HA 0.177 4.727 4.550 -0.000 0.000 0.340 172 Y C -0.062 175.842 175.900 0.008 0.000 1.088 172 Y CA -0.764 57.339 58.100 0.004 0.000 1.444 172 Y CB -0.254 38.213 38.460 0.010 0.000 1.251 172 Y HN 0.040 nan 8.280 nan 0.000 0.522 173 N N 1.789 120.534 118.700 0.075 0.000 2.434 173 N HA -0.054 4.685 4.740 -0.001 0.000 0.268 173 N C 0.590 176.141 175.510 0.069 0.000 1.256 173 N CA 0.863 53.945 53.050 0.054 0.000 0.914 173 N CB 0.520 39.011 38.487 0.006 0.000 1.088 173 N HN 0.384 nan 8.380 nan 0.000 0.478 174 Q N 0.765 120.621 119.800 0.093 0.000 2.282 174 Q HA -0.240 4.100 4.340 -0.001 0.000 0.182 174 Q C -0.640 175.427 176.000 0.112 0.000 0.609 174 Q CA 1.617 57.480 55.803 0.102 0.000 1.397 174 Q CB -1.018 27.768 28.738 0.079 0.000 1.458 174 Q HN 0.596 nan 8.270 nan 0.000 0.852 175 K N 0.512 120.990 120.400 0.131 0.000 2.751 175 K HA 0.267 4.587 4.320 -0.001 0.000 0.252 175 K C 0.807 177.507 176.600 0.167 0.000 1.277 175 K CA 0.725 57.106 56.287 0.157 0.000 1.226 175 K CB -0.370 32.259 32.500 0.215 0.000 1.658 175 K HN 0.465 nan 8.250 nan 0.000 0.303 176 T N -3.853 110.783 114.554 0.136 0.000 12.066 176 T HA -0.231 4.118 4.350 -0.001 0.000 0.400 176 T C 0.432 175.206 174.700 0.124 0.000 1.585 176 T CA 0.928 63.104 62.100 0.126 0.000 2.577 176 T CB -1.632 67.302 68.868 0.110 0.000 2.675 176 T HN 0.062 nan 8.240 nan 0.000 0.761 177 V N 4.113 124.102 119.914 0.125 0.000 2.425 177 V HA 0.450 4.570 4.120 -0.001 0.000 0.276 177 V C 2.009 178.162 176.094 0.098 0.000 1.017 177 V CA 0.448 62.806 62.300 0.096 0.000 1.062 177 V CB 0.894 32.773 31.823 0.092 0.000 0.997 177 V HN 1.006 nan 8.190 nan 0.000 0.476 178 V N 1.908 121.884 119.914 0.103 0.000 3.645 178 V HA 0.819 4.939 4.120 -0.001 0.000 0.275 178 V C 0.551 176.673 176.094 0.046 0.000 1.356 178 V CA 0.737 63.120 62.300 0.138 0.000 1.051 178 V CB 0.156 32.125 31.823 0.243 0.000 0.828 178 V HN 0.931 nan 8.190 nan 0.000 0.441 179 A N 0.227 123.030 122.820 -0.028 0.000 2.536 179 A HA 0.826 5.146 4.320 -0.001 0.000 0.293 179 A C -1.231 176.277 177.584 -0.125 0.000 1.119 179 A CA -0.458 51.474 52.037 -0.176 0.000 0.654 179 A CB 1.695 20.474 19.000 -0.368 0.000 1.291 179 A HN 0.349 nan 8.150 nan 0.000 0.439 180 M N 1.001 120.505 119.600 -0.159 0.000 2.393 180 M HA 0.580 5.060 4.480 -0.001 0.000 0.316 180 M C -1.711 174.573 176.300 -0.027 0.000 1.087 180 M CA -0.391 54.824 55.300 -0.141 0.000 0.937 180 M CB 1.808 34.235 32.600 -0.288 0.000 1.668 180 M HN 0.886 nan 8.290 nan 0.000 0.438 181 D N 2.903 123.331 120.400 0.046 0.000 2.450 181 D HA 0.603 5.242 4.640 -0.001 0.000 0.238 181 D C -1.990 174.451 176.300 0.235 0.000 1.020 181 D CA -0.443 53.667 54.000 0.182 0.000 1.010 181 D CB 2.030 42.923 40.800 0.155 0.000 1.342 181 D HN 0.514 nan 8.370 nan 0.000 0.530 182 L N 2.011 123.403 121.223 0.282 0.000 2.388 182 L HA 0.812 5.152 4.340 -0.001 0.000 0.267 182 L C -1.045 175.898 176.870 0.121 0.000 0.995 182 L CA -0.285 54.638 54.840 0.139 0.000 0.864 182 L CB 0.501 42.579 42.059 0.031 0.000 1.216 182 L HN 0.515 nan 8.230 nan 0.000 0.430 183 A N 2.789 125.611 122.820 0.002 0.000 2.373 183 A HA 1.052 5.372 4.320 -0.001 0.000 0.291 183 A C 0.440 177.954 177.584 -0.116 0.000 1.171 183 A CA -0.025 51.864 52.037 -0.246 0.000 0.922 183 A CB 0.821 19.715 19.000 -0.177 0.000 1.400 183 A HN 1.648 nan 8.150 nan 0.000 0.474 184 G N -0.776 107.952 108.800 -0.121 0.000 2.384 184 G HA2 0.109 4.068 3.960 -0.001 0.000 0.204 184 G HA3 0.109 4.068 3.960 -0.001 0.000 0.204 184 G C -1.048 173.866 174.900 0.023 0.000 1.237 184 G CA 0.001 45.089 45.100 -0.021 0.000 1.060 184 G HN 0.951 nan 8.290 nan 0.000 0.514 185 D N 0.792 121.220 120.400 0.047 0.000 2.374 185 D HA 0.272 4.912 4.640 -0.001 0.000 0.240 185 D C 1.406 177.739 176.300 0.055 0.000 1.229 185 D CA 0.090 54.124 54.000 0.057 0.000 0.895 185 D CB 0.923 41.747 40.800 0.040 0.000 1.046 185 D HN 0.514 nan 8.370 nan 0.000 0.498 186 E N 1.483 121.723 120.200 0.066 0.000 2.265 186 E HA -0.173 4.176 4.350 -0.001 0.000 0.196 186 E C 1.308 177.930 176.600 0.037 0.000 0.996 186 E CA 1.075 57.508 56.400 0.056 0.000 0.832 186 E CB 0.360 30.111 29.700 0.086 0.000 0.756 186 E HN 0.564 nan 8.360 nan 0.000 0.491 187 T N -1.449 113.130 114.554 0.042 0.000 3.118 187 T HA 0.041 4.391 4.350 -0.001 0.000 0.260 187 T C 1.030 175.745 174.700 0.025 0.000 1.139 187 T CA -0.080 62.038 62.100 0.030 0.000 1.085 187 T CB -0.281 68.606 68.868 0.032 0.000 0.934 187 T HN 0.023 nan 8.240 nan 0.000 0.518 188 I N 3.205 123.794 120.570 0.032 0.000 2.460 188 I HA 0.102 4.271 4.170 -0.001 0.000 0.297 188 I C 0.595 176.720 176.117 0.014 0.000 1.139 188 I CA -0.404 60.928 61.300 0.053 0.000 1.340 188 I CB -0.078 37.986 38.000 0.106 0.000 1.444 188 I HN 0.305 nan 8.210 nan 0.000 0.557 189 E N 6.422 126.637 120.200 0.024 0.000 2.820 189 E HA -0.045 4.305 4.350 -0.001 0.000 0.251 189 E C 1.238 177.822 176.600 -0.027 0.000 0.944 189 E CA 1.075 57.477 56.400 0.004 0.000 0.955 189 E CB 0.147 29.862 29.700 0.025 0.000 0.904 189 E HN 0.801 nan 8.360 nan 0.000 0.513 190 G N 3.288 112.030 108.800 -0.097 0.000 2.155 190 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.257 190 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.257 190 G C 0.994 175.547 174.900 -0.577 0.000 0.983 190 G CA 1.085 46.076 45.100 -0.181 0.000 0.676 190 G HN 1.030 nan 8.290 nan 0.000 0.528 191 S N -0.317 114.967 115.700 -0.692 0.000 2.419 191 S HA -0.025 4.445 4.470 -0.001 0.000 0.233 191 S C 2.269 176.470 174.600 -0.665 0.000 1.016 191 S CA 1.802 59.286 58.200 -1.194 0.000 0.974 191 S CB -0.274 62.670 63.200 -0.427 0.000 0.786 191 S HN 0.750 nan 8.310 nan 0.000 0.492 192 S N 1.650 117.135 115.700 -0.357 0.000 2.447 192 S HA 0.169 4.639 4.470 -0.001 0.000 0.233 192 S C 1.142 175.660 174.600 -0.137 0.000 1.006 192 S CA 0.561 58.642 58.200 -0.199 0.000 0.957 192 S CB -0.251 62.859 63.200 -0.149 0.000 0.773 192 S HN 0.322 nan 8.310 nan 0.000 0.507 193 L N 0.874 121.981 121.223 -0.194 0.000 2.628 193 L HA 0.404 4.744 4.340 -0.001 0.000 0.229 193 L C -0.417 176.497 176.870 0.073 0.000 1.137 193 L CA -0.267 54.540 54.840 -0.056 0.000 0.909 193 L CB -1.370 40.667 42.059 -0.037 0.000 1.137 193 L HN 0.146 nan 8.230 nan 0.000 0.470 194 F N 1.258 121.238 119.950 0.050 0.000 2.572 194 F HA 0.148 4.674 4.527 -0.001 0.000 0.370 194 F C -0.647 175.117 175.800 -0.060 0.000 1.103 194 F CA -2.311 55.654 58.000 -0.059 0.000 1.286 194 F CB -0.410 38.463 39.000 -0.211 0.000 1.105 194 F HN -0.038 nan 8.300 nan 0.000 0.583 195 P HA -0.180 nan 4.420 nan 0.000 0.216 195 P C 1.733 179.064 177.300 0.052 0.000 1.157 195 P CA 2.318 65.457 63.100 0.065 0.000 0.880 195 P CB 0.067 31.780 31.700 0.021 0.000 0.791 196 G N -1.467 107.323 108.800 -0.016 0.000 2.442 196 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 196 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 196 G C 1.207 176.169 174.900 0.102 0.000 1.141 196 G CA 1.067 46.157 45.100 -0.016 0.000 0.763 196 G HN 0.394 nan 8.290 nan 0.000 0.554 197 H N -0.825 118.337 119.070 0.154 0.000 2.333 197 H HA 0.024 4.579 4.556 -0.001 0.000 0.302 197 H C 2.788 178.261 175.328 0.242 0.000 1.075 197 H CA 0.618 56.788 56.048 0.204 0.000 1.348 197 H CB 0.137 29.992 29.762 0.154 0.000 1.393 197 H HN 0.202 nan 8.280 nan 0.000 0.509 198 V N 1.243 121.323 119.914 0.277 0.000 2.287 198 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 198 V C 1.966 178.170 176.094 0.183 0.000 1.053 198 V CA 2.023 64.437 62.300 0.190 0.000 1.027 198 V CB -0.392 31.500 31.823 0.115 0.000 0.646 198 V HN 0.462 nan 8.190 nan 0.000 0.447 199 E N 0.033 120.317 120.200 0.139 0.000 2.153 199 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 199 E C 2.272 178.929 176.600 0.094 0.000 0.988 199 E CA 1.228 57.687 56.400 0.097 0.000 0.811 199 E CB -0.334 29.404 29.700 0.063 0.000 0.746 199 E HN 0.618 nan 8.360 nan 0.000 0.466 200 A N 0.321 123.214 122.820 0.122 0.000 1.898 200 A HA -0.170 4.150 4.320 -0.001 0.000 0.216 200 A C 1.763 179.329 177.584 -0.030 0.000 1.181 200 A CA 1.129 53.193 52.037 0.044 0.000 0.620 200 A CB -0.657 18.378 19.000 0.058 0.000 0.819 200 A HN 0.260 nan 8.150 nan 0.000 0.442 201 Y N 0.298 120.625 120.300 0.044 0.000 2.314 201 Y HA -0.118 4.432 4.550 -0.001 0.000 0.293 201 Y C 2.490 178.396 175.900 0.011 0.000 1.129 201 Y CA 1.614 59.727 58.100 0.023 0.000 1.201 201 Y CB -0.126 38.351 38.460 0.028 0.000 0.999 201 Y HN 0.426 nan 8.280 nan 0.000 0.541 202 E N -0.740 119.550 120.200 0.149 0.000 2.077 202 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 202 E C 2.499 179.119 176.600 0.034 0.000 0.989 202 E CA 1.005 57.454 56.400 0.082 0.000 0.800 202 E CB -0.480 29.261 29.700 0.068 0.000 0.746 202 E HN 0.552 nan 8.360 nan 0.000 0.452 203 G N 1.063 109.872 108.800 0.016 0.000 2.422 203 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.218 203 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.218 203 G C 1.665 176.537 174.900 -0.048 0.000 1.140 203 G CA 0.770 45.861 45.100 -0.015 0.000 0.775 203 G HN 0.326 nan 8.290 nan 0.000 0.545 204 A N 0.248 123.020 122.820 -0.080 0.000 1.898 204 A HA 0.108 4.428 4.320 -0.001 0.000 0.216 204 A C 2.596 180.127 177.584 -0.088 0.000 1.181 204 A CA 1.710 53.671 52.037 -0.127 0.000 0.620 204 A CB -0.569 18.294 19.000 -0.228 0.000 0.819 204 A HN 0.230 nan 8.150 nan 0.000 0.442 205 V N 1.508 121.401 119.914 -0.035 0.000 2.261 205 V HA -0.326 3.794 4.120 -0.001 0.000 0.246 205 V C 2.591 178.664 176.094 -0.035 0.000 1.047 205 V CA 2.497 64.784 62.300 -0.021 0.000 1.015 205 V CB -0.889 30.946 31.823 0.019 0.000 0.642 205 V HN 0.870 nan 8.190 nan 0.000 0.446 206 K N 0.353 120.739 120.400 -0.025 0.000 2.283 206 K HA -0.128 4.191 4.320 -0.001 0.000 0.202 206 K C 1.347 177.923 176.600 -0.041 0.000 1.048 206 K CA 1.846 58.117 56.287 -0.026 0.000 0.948 206 K CB -0.311 32.180 32.500 -0.015 0.000 0.742 206 K HN 0.438 nan 8.250 nan 0.000 0.458 207 N N 0.418 119.084 118.700 -0.057 0.000 2.230 207 N HA 0.052 4.792 4.740 -0.001 0.000 0.202 207 N C 0.439 175.892 175.510 -0.096 0.000 1.119 207 N CA 0.776 53.786 53.050 -0.067 0.000 0.851 207 N CB 1.207 39.655 38.487 -0.064 0.000 0.990 207 N HN 0.545 nan 8.380 nan 0.000 0.497 208 G N 1.174 109.905 108.800 -0.116 0.000 2.155 208 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.257 208 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.257 208 G C 0.069 174.797 174.900 -0.287 0.000 0.983 208 G CA -0.227 44.767 45.100 -0.176 0.000 0.676 208 G HN 0.228 nan 8.290 nan 0.000 0.528 209 I N 2.270 122.697 120.570 -0.239 0.000 2.471 209 I HA 0.231 4.401 4.170 -0.001 0.000 0.286 209 I C 1.173 177.088 176.117 -0.336 0.000 1.079 209 I CA -1.016 60.122 61.300 -0.271 0.000 1.398 209 I CB -0.041 37.845 38.000 -0.190 0.000 1.403 209 I HN 0.104 nan 8.210 nan 0.000 0.530 210 H N 6.617 125.485 119.070 -0.337 0.000 2.913 210 H HA 0.229 4.785 4.556 -0.001 0.000 0.365 210 H C 0.034 175.034 175.328 -0.547 0.000 1.155 210 H CA 0.388 56.075 56.048 -0.601 0.000 1.417 210 H CB 0.652 29.652 29.762 -1.270 0.000 1.386 210 H HN 0.378 nan 8.280 nan 0.000 0.614 211 R N 0.111 120.439 120.500 -0.287 0.000 2.621 211 R HA 0.372 4.712 4.340 -0.001 0.000 0.284 211 R C -0.591 175.815 176.300 0.176 0.000 0.998 211 R CA -0.501 55.595 56.100 -0.006 0.000 0.895 211 R CB 2.256 32.672 30.300 0.193 0.000 1.195 211 R HN 0.586 nan 8.270 nan 0.000 0.450 212 T N 1.123 115.823 114.554 0.242 0.000 2.903 212 T HA 0.713 5.062 4.350 -0.001 0.000 0.299 212 T C -1.592 173.246 174.700 0.230 0.000 1.093 212 T CA -0.565 61.688 62.100 0.255 0.000 1.002 212 T CB 1.397 70.425 68.868 0.266 0.000 1.127 212 T HN 0.186 nan 8.240 nan 0.000 0.488 213 V N 3.934 123.941 119.914 0.156 0.000 2.711 213 V HA 0.367 4.487 4.120 -0.001 0.000 0.304 213 V C -0.992 175.210 176.094 0.180 0.000 1.097 213 V CA -0.940 61.450 62.300 0.151 0.000 0.906 213 V CB 1.774 33.595 31.823 -0.004 0.000 1.015 213 V HN 1.002 nan 8.190 nan 0.000 0.427 214 H N 2.947 122.106 119.070 0.149 0.000 2.929 214 H HA 0.682 5.237 4.556 -0.001 0.000 0.317 214 H C 0.331 175.749 175.328 0.149 0.000 1.031 214 H CA 1.138 57.322 56.048 0.225 0.000 1.466 214 H CB 0.978 30.916 29.762 0.293 0.000 1.482 214 H HN 1.012 nan 8.280 nan 0.000 0.561 215 A N 1.535 124.503 122.820 0.247 0.000 2.582 215 A HA 0.522 4.842 4.320 -0.001 0.000 0.297 215 A C 0.699 178.365 177.584 0.136 0.000 1.059 215 A CA -0.264 51.868 52.037 0.159 0.000 0.705 215 A CB 0.570 19.631 19.000 0.102 0.000 1.279 215 A HN 1.113 nan 8.150 nan 0.000 0.404 216 G N 0.856 109.735 108.800 0.133 0.000 2.143 216 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.248 216 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.248 216 G C 0.675 175.599 174.900 0.038 0.000 0.991 216 G CA 1.337 46.523 45.100 0.143 0.000 0.689 216 G HN 1.347 nan 8.290 nan 0.000 0.522 217 E N -1.026 119.186 120.200 0.019 0.000 2.086 217 E HA 0.201 4.551 4.350 -0.001 0.000 0.190 217 E C 2.092 178.722 176.600 0.051 0.000 0.975 217 E CA 1.416 57.758 56.400 -0.097 0.000 0.813 217 E CB 0.066 29.579 29.700 -0.312 0.000 0.768 217 E HN 0.472 nan 8.360 nan 0.000 0.457 218 V N -0.155 119.852 119.914 0.155 0.000 3.473 218 V HA 0.274 4.393 4.120 -0.001 0.000 0.253 218 V C 1.117 177.337 176.094 0.210 0.000 1.340 218 V CA 0.451 62.883 62.300 0.220 0.000 1.103 218 V CB 0.965 32.850 31.823 0.104 0.000 0.881 218 V HN 0.333 nan 8.190 nan 0.000 0.451 219 G N 0.772 109.680 108.800 0.180 0.000 2.621 219 G HA2 0.381 4.340 3.960 -0.001 0.000 0.271 219 G HA3 0.381 4.340 3.960 -0.001 0.000 0.271 219 G C 0.294 175.242 174.900 0.081 0.000 1.236 219 G CA 0.584 45.741 45.100 0.094 0.000 0.958 219 G HN 0.491 nan 8.290 nan 0.000 0.512 220 S N -0.459 115.244 115.700 0.004 0.000 2.686 220 S HA 0.390 4.860 4.470 -0.001 0.000 0.270 220 S C -1.663 172.974 174.600 0.061 0.000 1.194 220 S CA -0.933 57.253 58.200 -0.024 0.000 0.990 220 S CB 1.820 64.994 63.200 -0.043 0.000 1.029 220 S HN 0.198 nan 8.310 nan 0.000 0.560 221 P HA -0.108 nan 4.420 nan 0.000 0.217 221 P C 1.353 178.698 177.300 0.075 0.000 1.148 221 P CA 1.374 64.533 63.100 0.098 0.000 0.828 221 P CB 0.013 31.765 31.700 0.085 0.000 0.783 222 E N -0.273 119.954 120.200 0.046 0.000 2.110 222 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 222 E C 1.739 178.355 176.600 0.026 0.000 0.988 222 E CA 1.146 57.565 56.400 0.031 0.000 0.804 222 E CB -1.139 28.570 29.700 0.015 0.000 0.745 222 E HN -0.038 nan 8.360 nan 0.000 0.458 223 V N -0.202 119.730 119.914 0.031 0.000 2.407 223 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 223 V C 2.375 178.488 176.094 0.032 0.000 1.055 223 V CA 1.545 63.858 62.300 0.021 0.000 1.049 223 V CB -0.395 31.448 31.823 0.035 0.000 0.662 223 V HN 0.194 nan 8.190 nan 0.000 0.455 224 V N 0.193 120.147 119.914 0.067 0.000 2.358 224 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 224 V C 2.563 178.691 176.094 0.057 0.000 1.047 224 V CA 2.291 64.641 62.300 0.083 0.000 1.035 224 V CB -0.818 31.092 31.823 0.145 0.000 0.658 224 V HN 0.525 nan 8.190 nan 0.000 0.452 225 R N 0.397 120.930 120.500 0.055 0.000 2.091 225 R HA -0.215 4.124 4.340 -0.001 0.000 0.238 225 R C 2.221 178.529 176.300 0.013 0.000 1.136 225 R CA 2.100 58.224 56.100 0.040 0.000 0.959 225 R CB -0.205 30.119 30.300 0.041 0.000 0.856 225 R HN 0.639 nan 8.270 nan 0.000 0.437 226 E N 0.080 120.279 120.200 -0.002 0.000 2.072 226 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 226 E C 2.042 178.609 176.600 -0.054 0.000 0.985 226 E CA 1.139 57.523 56.400 -0.027 0.000 0.801 226 E CB -0.151 29.525 29.700 -0.039 0.000 0.750 226 E HN 0.488 nan 8.360 nan 0.000 0.452 227 A N 1.025 123.811 122.820 -0.057 0.000 1.883 227 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 227 A C 2.512 180.053 177.584 -0.071 0.000 1.186 227 A CA 1.468 53.448 52.037 -0.095 0.000 0.624 227 A CB -0.704 18.264 19.000 -0.054 0.000 0.822 227 A HN 0.121 nan 8.150 nan 0.000 0.444 228 V N 0.230 120.129 119.914 -0.026 0.000 2.283 228 V HA -0.167 3.953 4.120 -0.001 0.000 0.243 228 V C 2.136 178.226 176.094 -0.006 0.000 1.039 228 V CA 2.169 64.462 62.300 -0.011 0.000 1.016 228 V CB -0.715 31.111 31.823 0.005 0.000 0.650 228 V HN 0.487 nan 8.190 nan 0.000 0.449 229 D N -0.376 120.022 120.400 -0.003 0.000 2.162 229 D HA 0.026 4.665 4.640 -0.001 0.000 0.203 229 D C 2.021 178.321 176.300 -0.001 0.000 0.967 229 D CA 1.222 55.224 54.000 0.003 0.000 0.840 229 D CB 0.225 41.030 40.800 0.009 0.000 0.972 229 D HN 0.401 nan 8.370 nan 0.000 0.482 230 I N -0.214 120.346 120.570 -0.016 0.000 2.685 230 I HA -0.108 4.061 4.170 -0.001 0.000 0.251 230 I C 1.805 177.907 176.117 -0.025 0.000 1.102 230 I CA 0.179 61.470 61.300 -0.015 0.000 1.442 230 I CB 0.218 38.206 38.000 -0.020 0.000 1.194 230 I HN -0.106 nan 8.210 nan 0.000 0.448 231 L N 0.604 121.773 121.223 -0.090 0.000 2.240 231 L HA 0.009 4.348 4.340 -0.001 0.000 0.211 231 L C 0.764 177.614 176.870 -0.032 0.000 1.106 231 L CA 1.041 55.776 54.840 -0.176 0.000 0.793 231 L CB -0.576 41.179 42.059 -0.506 0.000 0.927 231 L HN 0.191 nan 8.230 nan 0.000 0.446 232 K N -0.200 120.194 120.400 -0.010 0.000 3.218 232 K HA -0.120 4.200 4.320 -0.001 0.000 0.276 232 K C 0.210 176.856 176.600 0.076 0.000 1.173 232 K CA 0.838 57.152 56.287 0.044 0.000 0.812 232 K CB -2.901 29.645 32.500 0.075 0.000 1.275 232 K HN 0.503 nan 8.250 nan 0.000 0.504 233 T N -1.388 113.193 114.554 0.045 0.000 2.903 233 T HA 0.180 4.529 4.350 -0.001 0.000 0.314 233 T C 1.442 176.200 174.700 0.097 0.000 1.078 233 T CA -0.150 62.007 62.100 0.094 0.000 1.114 233 T CB 1.139 70.042 68.868 0.058 0.000 0.987 233 T HN 0.234 nan 8.240 nan 0.000 0.548 234 E N 0.472 120.771 120.200 0.165 0.000 2.307 234 E HA 0.112 4.462 4.350 -0.001 0.000 0.195 234 E C 0.642 177.324 176.600 0.135 0.000 0.975 234 E CA 0.241 56.751 56.400 0.183 0.000 0.878 234 E CB 0.442 30.343 29.700 0.335 0.000 0.845 234 E HN 0.496 nan 8.360 nan 0.000 0.488 235 R N 0.207 120.800 120.500 0.156 0.000 2.836 235 R HA 0.550 4.890 4.340 -0.001 0.000 0.269 235 R C -1.265 175.048 176.300 0.021 0.000 1.010 235 R CA -0.764 55.375 56.100 0.066 0.000 0.930 235 R CB 2.523 32.890 30.300 0.112 0.000 1.218 235 R HN -0.179 nan 8.270 nan 0.000 0.473 236 V N 0.942 120.817 119.914 -0.065 0.000 2.444 236 V HA 0.389 4.508 4.120 -0.001 0.000 0.294 236 V C 0.214 176.323 176.094 0.026 0.000 1.022 236 V CA -0.750 61.535 62.300 -0.026 0.000 0.850 236 V CB 1.753 33.527 31.823 -0.081 0.000 0.992 236 V HN 0.942 nan 8.190 nan 0.000 0.426 237 G N 3.421 112.238 108.800 0.029 0.000 2.360 237 G HA2 0.465 4.424 3.960 -0.001 0.000 0.279 237 G HA3 0.465 4.424 3.960 -0.001 0.000 0.279 237 G C 0.398 175.231 174.900 -0.111 0.000 1.189 237 G CA 0.487 45.556 45.100 -0.052 0.000 0.941 237 G HN 0.962 nan 8.290 nan 0.000 0.445 238 H N 2.118 121.097 119.070 -0.151 0.000 4.588 238 H HA -0.284 4.272 4.556 -0.001 0.000 0.077 238 H C 2.143 177.142 175.328 -0.549 0.000 0.621 238 H CA 1.709 57.420 56.048 -0.562 0.000 0.984 238 H CB -1.485 27.961 29.762 -0.527 0.000 0.679 238 H HN 1.930 nan 8.280 nan 0.000 0.825 239 G N 1.067 109.776 108.800 -0.151 0.000 2.203 239 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.263 239 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.263 239 G C 0.538 175.423 174.900 -0.025 0.000 1.012 239 G CA 1.361 46.509 45.100 0.081 0.000 0.749 239 G HN 0.557 nan 8.290 nan 0.000 0.512 240 Y N -0.845 119.479 120.300 0.039 0.000 2.274 240 Y HA -0.012 4.538 4.550 -0.001 0.000 0.290 240 Y C 2.459 178.219 175.900 -0.233 0.000 1.145 240 Y CA 1.541 59.523 58.100 -0.195 0.000 1.203 240 Y CB -0.636 37.597 38.460 -0.379 0.000 0.984 240 Y HN 0.619 nan 8.280 nan 0.000 0.533 241 H N -1.251 117.881 119.070 0.102 0.000 2.556 241 H HA -0.021 4.535 4.556 -0.001 0.000 0.268 241 H C 1.749 177.107 175.328 0.051 0.000 0.996 241 H CA 0.770 56.851 56.048 0.055 0.000 1.157 241 H CB 0.072 29.866 29.762 0.053 0.000 1.355 241 H HN 0.235 nan 8.280 nan 0.000 0.597 242 T N 1.468 116.130 114.554 0.179 0.000 2.803 242 T HA -0.160 4.190 4.350 -0.001 0.000 0.269 242 T C 2.117 176.893 174.700 0.126 0.000 1.052 242 T CA 1.358 63.584 62.100 0.209 0.000 1.136 242 T CB -0.205 68.865 68.868 0.338 0.000 0.864 242 T HN 0.580 nan 8.240 nan 0.000 0.467 243 I N 0.131 120.659 120.570 -0.069 0.000 2.850 243 I HA -0.031 4.139 4.170 -0.001 0.000 0.266 243 I C 1.719 177.784 176.117 -0.088 0.000 1.257 243 I CA 1.404 62.529 61.300 -0.293 0.000 1.465 243 I CB -0.635 37.043 38.000 -0.536 0.000 1.091 243 I HN 0.217 nan 8.210 nan 0.000 0.467 244 E N 0.995 121.201 120.200 0.009 0.000 2.418 244 E HA -0.085 4.264 4.350 -0.001 0.000 0.197 244 E C 0.258 176.886 176.600 0.046 0.000 1.026 244 E CA 0.394 56.810 56.400 0.028 0.000 0.862 244 E CB 0.034 29.760 29.700 0.044 0.000 0.799 244 E HN 0.455 nan 8.360 nan 0.000 0.518 245 D N 0.656 121.105 120.400 0.081 0.000 2.412 245 D HA 0.016 4.656 4.640 -0.001 0.000 0.276 245 D C 0.592 176.979 176.300 0.145 0.000 1.196 245 D CA -0.087 53.971 54.000 0.097 0.000 0.905 245 D CB 0.540 41.403 40.800 0.104 0.000 1.081 245 D HN -0.123 nan 8.370 nan 0.000 0.502 246 E N 1.480 121.758 120.200 0.130 0.000 2.147 246 E HA -0.233 4.117 4.350 -0.001 0.000 0.199 246 E C 1.673 178.377 176.600 0.174 0.000 1.005 246 E CA 1.098 57.606 56.400 0.179 0.000 0.810 246 E CB 0.032 29.806 29.700 0.125 0.000 0.736 246 E HN 0.600 nan 8.360 nan 0.000 0.460 247 A N 1.202 124.094 122.820 0.120 0.000 1.858 247 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 247 A C 2.291 179.937 177.584 0.103 0.000 1.190 247 A CA 1.501 53.593 52.037 0.093 0.000 0.617 247 A CB -0.724 18.317 19.000 0.069 0.000 0.827 247 A HN 0.257 nan 8.150 nan 0.000 0.443 248 L N -1.639 119.660 121.223 0.127 0.000 2.017 248 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 248 L C 2.344 179.328 176.870 0.190 0.000 1.073 248 L CA 2.529 57.452 54.840 0.139 0.000 0.745 248 L CB -0.956 41.190 42.059 0.146 0.000 0.894 248 L HN 0.520 nan 8.230 nan 0.000 0.432 249 Y N 0.815 121.185 120.300 0.116 0.000 2.097 249 Y HA -0.312 4.237 4.550 -0.001 0.000 0.282 249 Y C 2.334 178.310 175.900 0.126 0.000 1.152 249 Y CA 2.366 60.551 58.100 0.142 0.000 1.136 249 Y CB -0.790 37.742 38.460 0.119 0.000 0.975 249 Y HN 0.413 nan 8.280 nan 0.000 0.498 250 N N -0.356 118.316 118.700 -0.047 0.000 2.289 250 N HA -0.157 4.583 4.740 -0.001 0.000 0.184 250 N C 1.986 177.438 175.510 -0.095 0.000 1.016 250 N CA 1.128 54.088 53.050 -0.150 0.000 0.872 250 N CB -0.246 38.232 38.487 -0.015 0.000 0.973 250 N HN 0.353 nan 8.380 nan 0.000 0.433 251 R N 0.319 120.807 120.500 -0.021 0.000 2.093 251 R HA 0.002 4.342 4.340 -0.001 0.000 0.224 251 R C 1.302 177.593 176.300 -0.014 0.000 1.101 251 R CA 0.843 56.939 56.100 -0.006 0.000 0.979 251 R CB -0.080 30.234 30.300 0.024 0.000 0.877 251 R HN 0.097 nan 8.270 nan 0.000 0.441 252 L N 0.892 122.118 121.223 0.006 0.000 2.141 252 L HA -0.093 4.247 4.340 -0.001 0.000 0.209 252 L C 2.139 178.993 176.870 -0.027 0.000 1.094 252 L CA 1.041 55.889 54.840 0.014 0.000 0.763 252 L CB -0.666 41.468 42.059 0.125 0.000 0.908 252 L HN 0.221 nan 8.230 nan 0.000 0.437 253 L N -0.067 121.094 121.223 -0.103 0.000 2.083 253 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 253 L C 2.600 179.426 176.870 -0.074 0.000 1.083 253 L CA 1.677 56.433 54.840 -0.139 0.000 0.752 253 L CB -0.800 41.057 42.059 -0.336 0.000 0.899 253 L HN 0.319 nan 8.230 nan 0.000 0.433 254 K N 0.164 120.526 120.400 -0.064 0.000 2.057 254 K HA -0.177 4.143 4.320 -0.001 0.000 0.206 254 K C 1.532 178.119 176.600 -0.021 0.000 1.050 254 K CA 1.764 58.030 56.287 -0.034 0.000 0.935 254 K CB -0.265 32.220 32.500 -0.025 0.000 0.715 254 K HN 0.480 nan 8.250 nan 0.000 0.439 255 E N 0.819 121.006 120.200 -0.022 0.000 2.478 255 E HA -0.038 4.311 4.350 -0.001 0.000 0.198 255 E C -0.016 176.572 176.600 -0.021 0.000 1.046 255 E CA -0.087 56.303 56.400 -0.017 0.000 0.870 255 E CB -0.226 29.464 29.700 -0.016 0.000 0.818 255 E HN 0.370 nan 8.360 nan 0.000 0.527 256 N N 0.788 119.473 118.700 -0.026 0.000 2.776 256 N HA -0.185 4.555 4.740 -0.001 0.000 0.249 256 N C -0.356 175.124 175.510 -0.049 0.000 1.111 256 N CA 0.089 53.127 53.050 -0.019 0.000 0.711 256 N CB -0.712 37.775 38.487 -0.001 0.000 1.065 256 N HN 0.154 nan 8.380 nan 0.000 0.556 257 M N 1.473 121.004 119.600 -0.115 0.000 2.248 257 M HA -0.031 4.449 4.480 -0.001 0.000 0.343 257 M C 0.163 176.237 176.300 -0.376 0.000 1.243 257 M CA 0.585 55.730 55.300 -0.259 0.000 1.025 257 M CB 0.128 32.484 32.600 -0.407 0.000 1.759 257 M HN 0.199 nan 8.290 nan 0.000 0.452 258 H N 4.423 123.266 119.070 -0.377 0.000 2.562 258 H HA 0.427 4.982 4.556 -0.001 0.000 0.314 258 H C -1.621 173.457 175.328 -0.417 0.000 1.079 258 H CA -0.054 55.826 56.048 -0.279 0.000 1.349 258 H CB 0.277 29.939 29.762 -0.166 0.000 1.432 258 H HN 0.600 nan 8.280 nan 0.000 0.479 259 F N 3.249 122.893 119.950 -0.510 0.000 2.388 259 F HA 0.208 4.734 4.527 -0.001 0.000 0.358 259 F C 0.348 175.997 175.800 -0.251 0.000 1.122 259 F CA -0.744 57.078 58.000 -0.295 0.000 1.056 259 F CB 1.164 39.961 39.000 -0.337 0.000 1.155 259 F HN 0.565 nan 8.300 nan 0.000 0.461 260 E N 3.152 123.402 120.200 0.084 0.000 1.932 260 E HA 0.242 4.592 4.350 -0.001 0.000 0.275 260 E C -0.606 176.027 176.600 0.055 0.000 1.159 260 E CA -0.353 56.138 56.400 0.152 0.000 0.905 260 E CB 0.709 30.585 29.700 0.293 0.000 1.059 260 E HN 0.286 nan 8.360 nan 0.000 0.400 261 V N 2.787 122.805 119.914 0.173 0.000 2.607 261 V HA 0.099 4.219 4.120 -0.001 0.000 0.289 261 V C 0.044 176.221 176.094 0.139 0.000 1.053 261 V CA -0.589 61.855 62.300 0.239 0.000 0.996 261 V CB 1.231 33.225 31.823 0.285 0.000 0.995 261 V HN 0.803 nan 8.190 nan 0.000 0.476 262 C N 6.032 125.462 119.300 0.216 0.000 3.164 262 C HA 0.321 4.780 4.460 -0.001 0.000 0.250 262 C C -1.237 173.817 174.990 0.107 0.000 1.151 262 C CA -0.880 58.226 59.018 0.147 0.000 1.449 262 C CB 0.436 28.279 27.740 0.171 0.000 1.825 262 C HN 0.688 nan 8.230 nan 0.000 0.478 263 P HA -0.202 nan 4.420 nan 0.000 0.213 263 P C 1.815 179.133 177.300 0.030 0.000 1.176 263 P CA 1.527 64.500 63.100 -0.211 0.000 0.919 263 P CB 0.022 31.503 31.700 -0.366 0.000 0.791 264 W N 0.341 121.557 121.300 -0.139 0.000 2.318 264 W HA -0.248 4.411 4.660 -0.002 0.000 0.313 264 W C 2.552 178.930 176.519 -0.235 0.000 1.221 264 W CA 1.691 58.980 57.345 -0.094 0.000 1.266 264 W CB -0.619 28.806 29.460 -0.059 0.000 1.150 264 W HN -0.007 nan 8.180 nan 0.000 0.496 265 S N 0.620 116.108 115.700 -0.352 0.000 2.374 265 S HA -0.276 4.194 4.470 -0.001 0.000 0.227 265 S C 2.089 176.391 174.600 -0.495 0.000 1.037 265 S CA 2.690 60.397 58.200 -0.822 0.000 1.024 265 S CB -0.919 62.099 63.200 -0.303 0.000 0.861 265 S HN 0.426 nan 8.310 nan 0.000 0.456 266 S N -0.291 115.302 115.700 -0.178 0.000 2.399 266 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 266 S C 1.795 176.361 174.600 -0.056 0.000 1.022 266 S CA 1.249 59.366 58.200 -0.138 0.000 0.983 266 S CB -0.960 62.047 63.200 -0.321 0.000 0.803 266 S HN 0.772 nan 8.310 nan 0.000 0.480 267 Y N 1.682 121.925 120.300 -0.094 0.000 2.176 267 Y HA 0.179 4.728 4.550 -0.001 0.000 0.291 267 Y C 1.988 177.709 175.900 -0.299 0.000 1.122 267 Y CA 0.881 58.971 58.100 -0.016 0.000 1.128 267 Y CB -0.637 37.895 38.460 0.121 0.000 1.005 267 Y HN 0.206 nan 8.280 nan 0.000 0.509 268 L N 0.439 121.176 121.223 -0.809 0.000 2.141 268 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 268 L C 2.404 178.961 176.870 -0.523 0.000 1.094 268 L CA 2.348 56.691 54.840 -0.830 0.000 0.763 268 L CB -1.553 39.961 42.059 -0.907 0.000 0.908 268 L HN 0.558 nan 8.230 nan 0.000 0.437 269 T N -4.119 110.146 114.554 -0.480 0.000 3.194 269 T HA 0.278 4.627 4.350 -0.001 0.000 0.251 269 T C 1.497 176.072 174.700 -0.208 0.000 1.132 269 T CA 0.425 62.340 62.100 -0.309 0.000 1.028 269 T CB -0.244 68.415 68.868 -0.349 0.000 0.976 269 T HN 0.435 nan 8.240 nan 0.000 0.535 270 G N 0.887 109.517 108.800 -0.283 0.000 2.189 270 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.267 270 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.267 270 G C 1.166 175.988 174.900 -0.130 0.000 0.975 270 G CA 0.095 45.064 45.100 -0.218 0.000 0.644 270 G HN 1.157 nan 8.290 nan 0.000 0.537 271 A N -1.452 121.303 122.820 -0.109 0.000 2.178 271 A HA 0.332 4.651 4.320 -0.001 0.000 0.218 271 A C 0.817 178.408 177.584 0.013 0.000 1.157 271 A CA 1.686 53.703 52.037 -0.032 0.000 0.689 271 A CB -0.158 18.811 19.000 -0.052 0.000 0.787 271 A HN 1.361 nan 8.150 nan 0.000 0.465 272 W N 0.106 121.265 121.300 -0.235 0.000 2.830 272 W HA 0.494 5.153 4.660 -0.001 0.000 0.335 272 W C -1.637 174.808 176.519 -0.123 0.000 1.043 272 W CA -1.672 55.520 57.345 -0.254 0.000 1.239 272 W CB 1.087 30.301 29.460 -0.411 0.000 1.378 272 W HN 0.028 nan 8.180 nan 0.000 0.456 273 D N 8.195 128.218 120.400 -0.628 0.000 2.336 273 D HA 0.177 4.816 4.640 -0.001 0.000 0.249 273 D C -1.127 174.461 176.300 -1.186 0.000 1.213 273 D CA -2.054 51.563 54.000 -0.639 0.000 0.870 273 D CB 1.811 42.409 40.800 -0.337 0.000 1.076 273 D HN 0.237 nan 8.370 nan 0.000 0.483 274 P HA -0.125 nan 4.420 nan 0.000 0.234 274 P C 0.496 177.460 177.300 -0.561 0.000 1.162 274 P CA 0.740 63.073 63.100 -1.278 0.000 0.759 274 P CB 0.343 31.614 31.700 -0.714 0.000 0.813 275 K N -0.225 119.932 120.400 -0.404 0.000 2.166 275 K HA 0.028 4.348 4.320 -0.001 0.000 0.201 275 K C 1.302 177.833 176.600 -0.116 0.000 1.052 275 K CA 0.795 56.966 56.287 -0.193 0.000 0.969 275 K CB -0.291 32.119 32.500 -0.151 0.000 0.761 275 K HN 0.256 nan 8.250 nan 0.000 0.459 276 T N -0.615 113.856 114.554 -0.138 0.000 2.909 276 T HA 0.126 4.476 4.350 -0.001 0.000 0.289 276 T C 0.301 175.132 174.700 0.218 0.000 1.005 276 T CA -0.684 61.422 62.100 0.010 0.000 1.084 276 T CB 1.518 70.384 68.868 -0.004 0.000 0.975 276 T HN -0.187 nan 8.240 nan 0.000 0.509 277 T N 3.281 117.928 114.554 0.155 0.000 2.829 277 T HA 0.028 4.378 4.350 -0.001 0.000 0.293 277 T C 0.283 175.074 174.700 0.151 0.000 0.970 277 T CA 0.040 62.236 62.100 0.160 0.000 1.168 277 T CB -0.449 68.446 68.868 0.046 0.000 0.911 277 T HN 0.649 nan 8.240 nan 0.000 0.535 278 H N 3.027 122.076 119.070 -0.036 0.000 2.928 278 H HA 0.146 4.702 4.556 -0.001 0.000 0.338 278 H C 1.321 176.336 175.328 -0.521 0.000 1.047 278 H CA 0.143 55.864 56.048 -0.544 0.000 1.435 278 H CB 0.759 29.876 29.762 -1.075 0.000 1.428 278 H HN 0.782 nan 8.280 nan 0.000 0.590 279 A N 4.976 127.577 122.820 -0.365 0.000 1.986 279 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 279 A C 2.552 179.583 177.584 -0.921 0.000 1.171 279 A CA 1.574 53.248 52.037 -0.604 0.000 0.640 279 A CB -0.725 17.901 19.000 -0.623 0.000 0.811 279 A HN 0.567 nan 8.150 nan 0.000 0.451 280 V N -0.457 119.096 119.914 -0.602 0.000 2.594 280 V HA -0.172 3.948 4.120 -0.001 0.000 0.253 280 V C 2.370 178.277 176.094 -0.311 0.000 1.069 280 V CA 2.025 63.946 62.300 -0.632 0.000 1.082 280 V CB -0.281 31.162 31.823 -0.633 0.000 0.680 280 V HN 0.361 nan 8.190 nan 0.000 0.469 281 V N 0.342 120.121 119.914 -0.225 0.000 2.358 281 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 281 V C 2.585 178.618 176.094 -0.101 0.000 1.047 281 V CA 2.398 64.662 62.300 -0.060 0.000 1.035 281 V CB -0.772 31.024 31.823 -0.045 0.000 0.658 281 V HN 0.611 nan 8.190 nan 0.000 0.452 282 R N 0.102 120.481 120.500 -0.202 0.000 2.073 282 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 282 R C 2.051 178.397 176.300 0.076 0.000 1.134 282 R CA 1.947 57.977 56.100 -0.117 0.000 0.952 282 R CB -0.708 29.436 30.300 -0.259 0.000 0.850 282 R HN 0.364 nan 8.270 nan 0.000 0.433 283 F N 1.389 121.277 119.950 -0.103 0.000 2.095 283 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 283 F C 2.230 178.049 175.800 0.032 0.000 1.104 283 F CA 1.624 59.585 58.000 -0.065 0.000 1.232 283 F CB -1.140 37.636 39.000 -0.374 0.000 0.987 283 F HN 0.184 nan 8.300 nan 0.000 0.475 284 K N 0.343 120.831 120.400 0.147 0.000 2.002 284 K HA -0.205 4.115 4.320 -0.001 0.000 0.209 284 K C 1.918 178.530 176.600 0.021 0.000 1.048 284 K CA 1.750 58.083 56.287 0.077 0.000 0.930 284 K CB -0.171 32.147 32.500 -0.303 0.000 0.714 284 K HN 0.081 nan 8.250 nan 0.000 0.438 285 N N 1.467 120.167 118.700 0.001 0.000 2.104 285 N HA -0.147 4.593 4.740 -0.001 0.000 0.190 285 N C 0.988 176.531 175.510 0.054 0.000 1.024 285 N CA 1.478 54.531 53.050 0.004 0.000 0.853 285 N CB -0.414 38.075 38.487 0.003 0.000 1.008 285 N HN 0.288 nan 8.380 nan 0.000 0.424 286 D N 0.744 121.217 120.400 0.122 0.000 2.363 286 D HA -0.000 4.639 4.640 -0.001 0.000 0.226 286 D C 0.108 176.477 176.300 0.115 0.000 1.020 286 D CA 0.278 54.361 54.000 0.138 0.000 0.892 286 D CB 0.091 41.032 40.800 0.234 0.000 0.900 286 D HN -0.004 nan 8.370 nan 0.000 0.531 287 K N -0.518 119.954 120.400 0.120 0.000 3.096 287 K HA -0.171 4.148 4.320 -0.001 0.000 0.266 287 K C 0.018 176.696 176.600 0.130 0.000 1.043 287 K CA 0.550 56.899 56.287 0.103 0.000 0.758 287 K CB -2.338 30.191 32.500 0.049 0.000 1.260 287 K HN 0.262 nan 8.250 nan 0.000 0.481 288 A N 0.925 123.876 122.820 0.218 0.000 2.346 288 A HA 0.234 4.553 4.320 -0.001 0.000 0.252 288 A C 0.556 178.266 177.584 0.211 0.000 1.089 288 A CA -0.078 52.072 52.037 0.189 0.000 0.797 288 A CB 0.255 19.328 19.000 0.122 0.000 1.047 288 A HN 0.458 nan 8.150 nan 0.000 0.494 289 N N 0.224 119.005 118.700 0.136 0.000 2.415 289 N HA 0.473 5.213 4.740 -0.001 0.000 0.246 289 N C -1.318 174.192 175.510 0.001 0.000 1.078 289 N CA -0.189 52.909 53.050 0.080 0.000 0.942 289 N CB 0.249 38.788 38.487 0.085 0.000 1.140 289 N HN 0.610 nan 8.380 nan 0.000 0.501 290 Y N 0.579 120.794 120.300 -0.143 0.000 2.638 290 Y HA 0.544 5.093 4.550 -0.001 0.000 0.335 290 Y C -1.373 174.508 175.900 -0.032 0.000 1.155 290 Y CA -1.187 56.723 58.100 -0.316 0.000 1.046 290 Y CB 0.622 39.049 38.460 -0.054 0.000 1.303 290 Y HN 0.279 nan 8.280 nan 0.000 0.460 291 S N 1.789 117.585 115.700 0.160 0.000 2.634 291 S HA 0.780 5.249 4.470 -0.001 0.000 0.296 291 S C -1.860 172.901 174.600 0.268 0.000 1.104 291 S CA -0.826 57.514 58.200 0.234 0.000 0.920 291 S CB 2.121 65.533 63.200 0.354 0.000 1.111 291 S HN 0.675 nan 8.310 nan 0.000 0.493 292 L N 2.312 123.626 121.223 0.153 0.000 2.296 292 L HA 0.600 4.939 4.340 -0.001 0.000 0.286 292 L C -0.693 176.233 176.870 0.093 0.000 1.023 292 L CA -0.204 54.655 54.840 0.032 0.000 0.812 292 L CB 0.647 42.522 42.059 -0.307 0.000 1.223 292 L HN 0.861 nan 8.230 nan 0.000 0.421 293 N N 0.851 119.616 118.700 0.110 0.000 2.321 293 N HA 0.470 5.209 4.740 -0.001 0.000 0.290 293 N C 0.389 176.015 175.510 0.194 0.000 1.212 293 N CA -0.608 52.548 53.050 0.176 0.000 0.767 293 N CB 1.759 40.375 38.487 0.215 0.000 1.494 293 N HN 0.419 nan 8.380 nan 0.000 0.479 294 T N -0.581 114.129 114.554 0.261 0.000 3.009 294 T HA 0.041 4.391 4.350 -0.001 0.000 0.258 294 T C 0.801 175.769 174.700 0.447 0.000 1.063 294 T CA 0.912 63.208 62.100 0.326 0.000 1.139 294 T CB -0.324 68.725 68.868 0.302 0.000 0.890 294 T HN 0.744 nan 8.240 nan 0.000 0.471 295 E N -0.184 120.289 120.200 0.455 0.000 4.277 295 E HA -0.196 4.154 4.350 -0.001 0.000 0.189 295 E C -0.879 176.135 176.600 0.690 0.000 1.264 295 E CA 1.910 58.679 56.400 0.615 0.000 2.321 295 E CB -1.055 28.993 29.700 0.581 0.000 1.841 295 E HN 0.426 nan 8.360 nan 0.000 0.373 296 D N -0.080 120.670 120.400 0.583 0.000 2.517 296 D HA 0.179 4.818 4.640 -0.001 0.000 0.263 296 D C -2.241 174.119 176.300 0.100 0.000 1.233 296 D CA -0.829 53.335 54.000 0.274 0.000 0.849 296 D CB 1.480 42.312 40.800 0.053 0.000 1.261 296 D HN 0.088 nan 8.370 nan 0.000 0.516 297 P HA -0.178 nan 4.420 nan 0.000 0.216 297 P C 1.772 179.136 177.300 0.107 0.000 1.153 297 P CA 0.359 63.595 63.100 0.226 0.000 0.858 297 P CB 0.536 32.357 31.700 0.202 0.000 0.789 298 L N -0.416 120.818 121.223 0.017 0.000 1.990 298 L HA -0.165 4.174 4.340 -0.001 0.000 0.213 298 L C 2.257 179.071 176.870 -0.093 0.000 1.072 298 L CA 1.932 56.734 54.840 -0.064 0.000 0.755 298 L CB -1.297 40.664 42.059 -0.163 0.000 0.889 298 L HN -0.123 nan 8.230 nan 0.000 0.432 299 I N -1.512 118.929 120.570 -0.214 0.000 2.439 299 I HA -0.221 3.949 4.170 -0.001 0.000 0.251 299 I C 1.329 177.372 176.117 -0.124 0.000 1.139 299 I CA 0.769 61.924 61.300 -0.242 0.000 1.438 299 I CB -0.298 37.477 38.000 -0.375 0.000 1.085 299 I HN 0.163 nan 8.210 nan 0.000 0.427 300 F N 1.323 121.406 119.950 0.221 0.000 2.732 300 F HA 0.187 4.713 4.527 -0.001 0.000 0.303 300 F C 0.897 176.934 175.800 0.394 0.000 1.110 300 F CA -0.684 57.482 58.000 0.276 0.000 1.355 300 F CB -0.720 38.456 39.000 0.294 0.000 1.081 300 F HN -0.075 nan 8.300 nan 0.000 0.565 301 K N 1.201 121.802 120.400 0.336 0.000 3.148 301 K HA -0.193 4.127 4.320 -0.001 0.000 0.267 301 K C 0.229 176.993 176.600 0.274 0.000 0.996 301 K CA 0.799 57.235 56.287 0.248 0.000 0.737 301 K CB -2.124 30.518 32.500 0.237 0.000 1.308 301 K HN 0.484 nan 8.250 nan 0.000 0.470 302 S N -1.703 114.173 115.700 0.293 0.000 2.740 302 S HA 0.736 5.205 4.470 -0.001 0.000 0.300 302 S C -0.237 174.450 174.600 0.145 0.000 1.147 302 S CA -0.618 57.713 58.200 0.219 0.000 0.871 302 S CB 3.106 66.522 63.200 0.360 0.000 1.173 302 S HN 0.126 nan 8.310 nan 0.000 0.510 303 T N 0.345 114.952 114.554 0.088 0.000 2.864 303 T HA 0.433 4.783 4.350 -0.001 0.000 0.299 303 T C 0.558 175.304 174.700 0.076 0.000 1.166 303 T CA -0.538 61.599 62.100 0.061 0.000 1.007 303 T CB 1.357 70.229 68.868 0.007 0.000 1.219 303 T HN 0.562 nan 8.240 nan 0.000 0.506 304 L N 2.037 123.307 121.223 0.079 0.000 2.079 304 L HA -0.012 4.327 4.340 -0.001 0.000 0.210 304 L C 1.897 178.857 176.870 0.150 0.000 1.081 304 L CA 2.186 57.105 54.840 0.131 0.000 0.752 304 L CB -0.676 41.448 42.059 0.107 0.000 0.896 304 L HN 0.821 nan 8.230 nan 0.000 0.433 305 D N -1.920 118.507 120.400 0.046 0.000 2.218 305 D HA -0.166 4.473 4.640 -0.001 0.000 0.204 305 D C 1.894 178.196 176.300 0.003 0.000 0.976 305 D CA 1.359 55.368 54.000 0.016 0.000 0.853 305 D CB 0.182 40.955 40.800 -0.045 0.000 0.939 305 D HN 0.384 nan 8.370 nan 0.000 0.481 306 T N 0.105 114.632 114.554 -0.044 0.000 2.652 306 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 306 T C 1.355 175.955 174.700 -0.165 0.000 1.039 306 T CA 1.535 63.530 62.100 -0.175 0.000 1.153 306 T CB -0.348 68.359 68.868 -0.269 0.000 0.863 306 T HN 0.288 nan 8.240 nan 0.000 0.428 307 D N -0.025 120.337 120.400 -0.065 0.000 2.117 307 D HA -0.086 4.554 4.640 -0.001 0.000 0.197 307 D C 1.999 178.184 176.300 -0.191 0.000 0.987 307 D CA 1.173 55.110 54.000 -0.106 0.000 0.829 307 D CB -0.251 40.517 40.800 -0.054 0.000 0.961 307 D HN 0.422 nan 8.370 nan 0.000 0.460 308 Y N 1.673 121.864 120.300 -0.183 0.000 2.145 308 Y HA -0.162 4.387 4.550 -0.001 0.000 0.286 308 Y C 2.786 178.629 175.900 -0.095 0.000 1.145 308 Y CA 0.978 58.921 58.100 -0.261 0.000 1.148 308 Y CB -0.259 37.918 38.460 -0.471 0.000 0.981 308 Y HN -0.101 nan 8.280 nan 0.000 0.507 309 Q N -0.298 119.531 119.800 0.047 0.000 2.096 309 Q HA -0.262 4.077 4.340 -0.001 0.000 0.204 309 Q C 2.454 178.431 176.000 -0.038 0.000 0.982 309 Q CA 1.776 57.590 55.803 0.019 0.000 0.850 309 Q CB -0.621 28.090 28.738 -0.044 0.000 0.901 309 Q HN 0.590 nan 8.270 nan 0.000 0.422 310 M N 0.634 120.160 119.600 -0.123 0.000 2.117 310 M HA -0.174 4.306 4.480 -0.001 0.000 0.262 310 M C 2.031 178.217 176.300 -0.191 0.000 1.065 310 M CA 2.165 57.367 55.300 -0.164 0.000 1.114 310 M CB -0.175 32.306 32.600 -0.198 0.000 1.361 310 M HN 0.300 nan 8.290 nan 0.000 0.408 311 T N -1.863 112.526 114.554 -0.276 0.000 2.951 311 T HA -0.096 4.253 4.350 -0.001 0.000 0.268 311 T C 1.771 176.384 174.700 -0.145 0.000 1.073 311 T CA 1.227 63.038 62.100 -0.481 0.000 1.134 311 T CB -0.294 67.941 68.868 -1.055 0.000 0.884 311 T HN 0.459 nan 8.240 nan 0.000 0.479 312 K N 0.978 121.422 120.400 0.074 0.000 1.973 312 K HA -0.086 4.233 4.320 -0.001 0.000 0.210 312 K C 2.329 178.971 176.600 0.069 0.000 1.045 312 K CA 1.039 57.422 56.287 0.161 0.000 0.937 312 K CB -0.107 32.555 32.500 0.271 0.000 0.721 312 K HN 0.024 nan 8.250 nan 0.000 0.438 313 K N 1.511 121.932 120.400 0.035 0.000 1.988 313 K HA -0.112 4.208 4.320 -0.001 0.000 0.221 313 K C 0.243 176.848 176.600 0.009 0.000 1.053 313 K CA 1.895 58.190 56.287 0.013 0.000 0.959 313 K CB -0.529 31.965 32.500 -0.010 0.000 0.728 313 K HN 0.462 nan 8.250 nan 0.000 0.447 314 D N -0.894 119.501 120.400 -0.009 0.000 2.181 314 D HA 0.232 4.872 4.640 -0.001 0.000 0.248 314 D C 0.532 176.825 176.300 -0.012 0.000 1.020 314 D CA -0.258 53.745 54.000 0.004 0.000 0.891 314 D CB 1.677 42.491 40.800 0.023 0.000 1.187 314 D HN 0.134 nan 8.370 nan 0.000 0.443 315 M N -0.263 119.356 119.600 0.031 0.000 3.019 315 M HA -0.172 4.307 4.480 -0.001 0.000 0.214 315 M C 0.946 177.384 176.300 0.231 0.000 0.577 315 M CA 0.741 56.096 55.300 0.092 0.000 0.816 315 M CB -1.552 31.025 32.600 -0.040 0.000 2.911 315 M HN 0.805 nan 8.290 nan 0.000 0.302 316 G N 1.349 110.231 108.800 0.137 0.000 2.441 316 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.298 316 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.298 316 G C -0.223 174.750 174.900 0.121 0.000 0.949 316 G CA 0.460 45.622 45.100 0.104 0.000 1.072 316 G HN 0.427 nan 8.290 nan 0.000 0.512 317 F N 0.520 120.367 119.950 -0.171 0.000 2.410 317 F HA 0.561 5.088 4.527 -0.000 0.000 0.334 317 F C 1.452 176.950 175.800 -0.503 0.000 1.134 317 F CA -0.104 57.694 58.000 -0.336 0.000 1.227 317 F CB 1.059 39.839 39.000 -0.366 0.000 1.194 317 F HN 0.297 nan 8.300 nan 0.000 0.571 318 T N -2.157 112.081 114.554 -0.528 0.000 2.910 318 T HA 0.291 4.640 4.350 -0.001 0.000 0.287 318 T C 0.764 175.040 174.700 -0.706 0.000 1.050 318 T CA -0.762 61.056 62.100 -0.470 0.000 1.011 318 T CB 1.592 70.297 68.868 -0.271 0.000 1.195 318 T HN 0.674 nan 8.240 nan 0.000 0.540 319 E N -0.001 120.014 120.200 -0.308 0.000 2.204 319 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 319 E C 1.731 178.240 176.600 -0.152 0.000 0.989 319 E CA 0.994 57.348 56.400 -0.075 0.000 0.824 319 E CB 0.027 29.825 29.700 0.163 0.000 0.756 319 E HN 0.795 nan 8.360 nan 0.000 0.477 320 E N 0.125 120.222 120.200 -0.172 0.000 2.110 320 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 320 E C 1.873 178.362 176.600 -0.185 0.000 0.988 320 E CA 1.358 57.672 56.400 -0.143 0.000 0.804 320 E CB 0.099 29.724 29.700 -0.125 0.000 0.745 320 E HN 0.118 nan 8.360 nan 0.000 0.458 321 E N -0.322 119.710 120.200 -0.281 0.000 2.076 321 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 321 E C 1.552 178.057 176.600 -0.160 0.000 0.979 321 E CA 0.862 57.104 56.400 -0.264 0.000 0.807 321 E CB -0.208 29.244 29.700 -0.414 0.000 0.761 321 E HN 0.158 nan 8.360 nan 0.000 0.454 322 F N 1.420 121.195 119.950 -0.293 0.000 2.126 322 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 322 F C 2.026 177.471 175.800 -0.592 0.000 1.096 322 F CA 1.269 58.936 58.000 -0.556 0.000 1.255 322 F CB -0.610 37.617 39.000 -1.289 0.000 0.997 322 F HN 0.075 nan 8.300 nan 0.000 0.479 323 K N -0.393 119.817 120.400 -0.317 0.000 2.103 323 K HA -0.131 4.188 4.320 -0.001 0.000 0.204 323 K C 2.284 178.873 176.600 -0.018 0.000 1.052 323 K CA 0.900 57.050 56.287 -0.228 0.000 0.945 323 K CB -0.179 32.125 32.500 -0.327 0.000 0.722 323 K HN 0.116 nan 8.250 nan 0.000 0.443 324 R N 1.853 122.313 120.500 -0.067 0.000 2.070 324 R HA -0.099 4.240 4.340 -0.001 0.000 0.233 324 R C 2.468 178.733 176.300 -0.058 0.000 1.137 324 R CA 1.374 57.445 56.100 -0.050 0.000 0.945 324 R CB -0.339 29.913 30.300 -0.080 0.000 0.845 324 R HN 0.259 nan 8.270 nan 0.000 0.430 325 L N -0.422 120.733 121.223 -0.113 0.000 2.131 325 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 325 L C 1.261 178.118 176.870 -0.021 0.000 1.092 325 L CA 1.767 56.491 54.840 -0.195 0.000 0.759 325 L CB -0.914 40.905 42.059 -0.401 0.000 0.903 325 L HN 0.201 nan 8.230 nan 0.000 0.435 326 N N 0.939 119.689 118.700 0.085 0.000 2.331 326 N HA -0.025 4.715 4.740 -0.001 0.000 0.180 326 N C 1.966 177.552 175.510 0.128 0.000 1.019 326 N CA 1.331 54.487 53.050 0.178 0.000 0.881 326 N CB 0.083 38.778 38.487 0.347 0.000 0.972 326 N HN 0.493 nan 8.380 nan 0.000 0.435 327 I N 1.220 121.847 120.570 0.096 0.000 2.286 327 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 327 I C 1.619 177.754 176.117 0.030 0.000 1.104 327 I CA 0.663 61.987 61.300 0.040 0.000 1.397 327 I CB -0.103 37.901 38.000 0.006 0.000 1.072 327 I HN 0.020 nan 8.210 nan 0.000 0.417 328 N N 1.228 119.943 118.700 0.025 0.000 2.188 328 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 328 N C 1.877 177.389 175.510 0.004 0.000 1.018 328 N CA 1.507 54.575 53.050 0.030 0.000 0.858 328 N CB -0.332 38.180 38.487 0.041 0.000 0.989 328 N HN 0.331 nan 8.380 nan 0.000 0.426 329 A N 0.814 123.652 122.820 0.031 0.000 1.930 329 A HA 0.086 4.406 4.320 -0.001 0.000 0.217 329 A C 2.330 179.846 177.584 -0.113 0.000 1.175 329 A CA 1.717 53.728 52.037 -0.044 0.000 0.627 329 A CB -0.613 18.438 19.000 0.084 0.000 0.815 329 A HN 0.307 nan 8.150 nan 0.000 0.443 330 A N -0.030 122.758 122.820 -0.053 0.000 1.897 330 A HA -0.089 4.230 4.320 -0.001 0.000 0.215 330 A C 2.085 179.589 177.584 -0.133 0.000 1.181 330 A CA 1.565 53.545 52.037 -0.094 0.000 0.620 330 A CB -0.356 18.608 19.000 -0.060 0.000 0.821 330 A HN 0.518 nan 8.150 nan 0.000 0.443 331 K N 0.172 120.517 120.400 -0.092 0.000 2.097 331 K HA -0.035 4.285 4.320 -0.001 0.000 0.205 331 K C 1.653 178.159 176.600 -0.157 0.000 1.050 331 K CA 1.496 57.731 56.287 -0.087 0.000 0.938 331 K CB -0.130 32.351 32.500 -0.032 0.000 0.718 331 K HN 0.380 nan 8.250 nan 0.000 0.442 332 S N 1.196 116.742 115.700 -0.256 0.000 2.593 332 S HA 0.004 4.473 4.470 -0.001 0.000 0.217 332 S C 0.630 174.880 174.600 -0.584 0.000 0.966 332 S CA -0.189 57.755 58.200 -0.427 0.000 0.914 332 S CB -0.002 62.758 63.200 -0.733 0.000 0.776 332 S HN 0.336 nan 8.310 nan 0.000 0.523 333 S N 0.939 116.378 115.700 -0.434 0.000 2.596 333 S HA 0.281 4.750 4.470 -0.001 0.000 0.260 333 S C -0.015 174.311 174.600 -0.456 0.000 1.336 333 S CA -0.301 57.648 58.200 -0.419 0.000 0.993 333 S CB -0.034 63.020 63.200 -0.243 0.000 0.923 333 S HN 0.190 nan 8.310 nan 0.000 0.567 334 F N 0.103 119.954 119.950 -0.166 0.000 2.819 334 F HA 0.452 4.978 4.527 -0.001 0.000 0.294 334 F C 0.030 175.751 175.800 -0.132 0.000 1.166 334 F CA -1.032 56.753 58.000 -0.358 0.000 1.374 334 F CB -0.556 38.224 39.000 -0.368 0.000 0.956 334 F HN 0.275 nan 8.300 nan 0.000 0.509 335 L N 1.666 122.895 121.223 0.011 0.000 2.395 335 L HA 0.446 4.785 4.340 -0.001 0.000 0.269 335 L C -1.995 174.892 176.870 0.029 0.000 1.133 335 L CA -2.534 52.304 54.840 -0.002 0.000 0.812 335 L CB 0.310 42.246 42.059 -0.205 0.000 1.125 335 L HN -0.093 nan 8.230 nan 0.000 0.452 336 P HA 0.049 nan 4.420 nan 0.000 0.270 336 P C 0.550 177.861 177.300 0.019 0.000 1.223 336 P CA -0.280 62.858 63.100 0.062 0.000 0.785 336 P CB 0.546 32.279 31.700 0.055 0.000 0.923 337 E N 1.353 121.567 120.200 0.024 0.000 2.086 337 E HA -0.293 4.057 4.350 -0.001 0.000 0.205 337 E C 1.621 178.213 176.600 -0.013 0.000 1.027 337 E CA 1.914 58.316 56.400 0.003 0.000 0.830 337 E CB -0.311 29.395 29.700 0.010 0.000 0.751 337 E HN 0.496 nan 8.360 nan 0.000 0.456 338 E N 0.893 121.089 120.200 -0.006 0.000 2.077 338 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 338 E C 1.815 178.401 176.600 -0.024 0.000 0.989 338 E CA 1.729 58.121 56.400 -0.012 0.000 0.800 338 E CB -0.117 29.581 29.700 -0.003 0.000 0.746 338 E HN 0.322 nan 8.360 nan 0.000 0.452 339 E N -0.040 120.144 120.200 -0.027 0.000 2.208 339 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 339 E C 1.951 178.493 176.600 -0.096 0.000 0.988 339 E CA 0.753 57.124 56.400 -0.049 0.000 0.828 339 E CB -0.075 29.602 29.700 -0.039 0.000 0.763 339 E HN 0.181 nan 8.360 nan 0.000 0.478 340 K N 1.600 121.943 120.400 -0.094 0.000 2.057 340 K HA -0.150 4.170 4.320 -0.001 0.000 0.206 340 K C 1.889 178.439 176.600 -0.084 0.000 1.050 340 K CA 1.117 57.331 56.287 -0.121 0.000 0.935 340 K CB 0.167 32.609 32.500 -0.096 0.000 0.715 340 K HN -0.073 nan 8.250 nan 0.000 0.439 341 K N 0.701 121.068 120.400 -0.054 0.000 2.009 341 K HA -0.175 4.145 4.320 -0.001 0.000 0.210 341 K C 2.024 178.602 176.600 -0.038 0.000 1.049 341 K CA 1.951 58.215 56.287 -0.039 0.000 0.929 341 K CB -0.125 32.356 32.500 -0.032 0.000 0.714 341 K HN 0.289 nan 8.250 nan 0.000 0.440 342 E N 1.164 121.339 120.200 -0.040 0.000 2.097 342 E HA -0.219 4.131 4.350 -0.001 0.000 0.196 342 E C 2.153 178.728 176.600 -0.042 0.000 1.000 342 E CA 0.949 57.329 56.400 -0.034 0.000 0.804 342 E CB -0.195 29.487 29.700 -0.029 0.000 0.740 342 E HN 0.249 nan 8.360 nan 0.000 0.454 343 L N 0.781 121.960 121.223 -0.072 0.000 1.989 343 L HA -0.226 4.114 4.340 -0.001 0.000 0.211 343 L C 2.439 179.276 176.870 -0.055 0.000 1.071 343 L CA 1.220 56.008 54.840 -0.087 0.000 0.749 343 L CB -0.188 41.766 42.059 -0.176 0.000 0.890 343 L HN 0.205 nan 8.230 nan 0.000 0.431 344 L N -0.328 120.879 121.223 -0.026 0.000 2.042 344 L HA -0.286 4.054 4.340 -0.001 0.000 0.210 344 L C 2.524 179.469 176.870 0.126 0.000 1.076 344 L CA 1.545 56.424 54.840 0.065 0.000 0.749 344 L CB -0.500 41.609 42.059 0.083 0.000 0.893 344 L HN 0.358 nan 8.230 nan 0.000 0.432 345 E N -0.087 120.139 120.200 0.044 0.000 2.038 345 E HA -0.266 4.084 4.350 -0.001 0.000 0.195 345 E C 2.461 179.080 176.600 0.032 0.000 1.000 345 E CA 1.083 57.503 56.400 0.034 0.000 0.803 345 E CB 0.017 29.715 29.700 -0.004 0.000 0.750 345 E HN 0.204 nan 8.360 nan 0.000 0.448 346 R N 0.361 120.854 120.500 -0.013 0.000 2.094 346 R HA -0.182 4.158 4.340 -0.001 0.000 0.239 346 R C 2.521 178.750 176.300 -0.119 0.000 1.137 346 R CA 1.508 57.580 56.100 -0.047 0.000 0.943 346 R CB -0.651 29.619 30.300 -0.050 0.000 0.850 346 R HN 0.304 nan 8.270 nan 0.000 0.433 347 L N -1.007 120.095 121.223 -0.200 0.000 2.017 347 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 347 L C 2.451 178.993 176.870 -0.548 0.000 1.073 347 L CA 1.475 55.987 54.840 -0.546 0.000 0.745 347 L CB -0.763 40.923 42.059 -0.623 0.000 0.894 347 L HN 0.186 nan 8.230 nan 0.000 0.432 348 Y N 0.018 120.178 120.300 -0.234 0.000 2.207 348 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 348 Y C 2.927 178.812 175.900 -0.025 0.000 1.156 348 Y CA 1.503 59.560 58.100 -0.072 0.000 1.182 348 Y CB -0.290 38.156 38.460 -0.024 0.000 0.979 348 Y HN 0.072 nan 8.280 nan 0.000 0.521 349 R N 0.637 121.189 120.500 0.087 0.000 2.070 349 R HA -0.200 4.140 4.340 -0.001 0.000 0.233 349 R C 1.766 178.093 176.300 0.046 0.000 1.137 349 R CA 2.073 58.208 56.100 0.058 0.000 0.945 349 R CB -0.236 30.078 30.300 0.024 0.000 0.845 349 R HN 0.356 nan 8.270 nan 0.000 0.430 350 E N -0.933 119.261 120.200 -0.010 0.000 2.418 350 E HA -0.136 4.213 4.350 -0.001 0.000 0.197 350 E C 0.966 177.696 176.600 0.216 0.000 1.026 350 E CA 0.480 56.903 56.400 0.038 0.000 0.862 350 E CB 0.184 29.870 29.700 -0.022 0.000 0.799 350 E HN 0.401 nan 8.360 nan 0.000 0.518 351 Y N 0.410 120.710 120.300 0.000 0.000 2.482 351 Y HA 0.143 4.693 4.550 -0.001 0.000 0.270 351 Y C 1.295 177.210 175.900 0.026 0.000 1.152 351 Y CA -0.009 58.094 58.100 0.004 0.000 1.292 351 Y CB -0.232 38.207 38.460 -0.035 0.000 1.070 351 Y HN 0.015 nan 8.280 nan 0.000 0.528 352 Q N 0.000 119.917 119.800 0.194 0.000 2.315 352 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 352 Q CA 0.000 55.883 55.803 0.133 0.000 1.022 352 Q CB 0.000 28.805 28.738 0.111 0.000 1.108 352 Q HN 0.000 nan 8.270 nan 0.000 0.481