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 1sc6_1_D DATA FIRST_RESID 7 DATA SEQUENCE EKDKIKFLLV EGVHQKALES LRAAGYTNIE FHKGALDDEQ LKESIRDAHF DATA SEQUENCE IGLRSRTHLT EDVINAAEKL VAIGAFAIGT NQVDLDAAAK RGIPVFNAPF DATA SEQUENCE SNTRSVAELV IGELLLLLRG VPEANAKAHR GVGXXXXXXS FEARGKKLGI DATA SEQUENCE IGYGHIGTQL GILAESLGXY VYFYDIENKL PLGNATQVQH LSDLLNXSDV DATA SEQUENCE VSLHVPENPS TKNXXGAKEI SLXKPGSLLI NASRGTVVDI PALADALASK DATA SEQUENCE HLAGAAIDVX XXXXXXXXXP FTSPLAEFDN VLLTPXXXXS TQEAQENIGL DATA SEQUENCE EVAGKLIKYS DNGSTLSAVN FPEVSLPLHG GRRLXHIHEN RPGVLTALNK DATA SEQUENCE IFAEQGVNIA AQYLQTSAQX GYVVIDIEAD EDVAEKALQA XKAIPGTIRA DATA SEQUENCE RLLY 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.406 176.600 -0.323 0.000 1.382 7 E CA 0.000 55.981 56.400 -0.699 0.000 0.976 7 E CB 0.000 29.496 29.700 -0.340 0.000 0.812 8 K N 1.232 121.472 120.400 -0.267 0.000 2.594 8 K HA 0.043 4.363 4.320 -0.000 0.000 0.274 8 K C -0.993 175.642 176.600 0.059 0.000 1.025 8 K CA -0.096 56.173 56.287 -0.029 0.000 1.010 8 K CB 0.548 33.084 32.500 0.058 0.000 1.377 8 K HN 0.060 nan 8.250 nan 0.000 0.429 9 D N 2.842 123.263 120.400 0.034 0.000 2.378 9 D HA -0.062 4.578 4.640 -0.000 0.000 0.227 9 D C 0.462 176.804 176.300 0.070 0.000 1.012 9 D CA 0.596 54.635 54.000 0.065 0.000 0.905 9 D CB 0.310 41.130 40.800 0.034 0.000 0.895 9 D HN 0.515 nan 8.370 nan 0.000 0.532 10 K N -0.109 120.320 120.400 0.049 0.000 2.356 10 K HA 0.107 4.426 4.320 -0.000 0.000 0.195 10 K C 0.154 176.687 176.600 -0.112 0.000 1.037 10 K CA -0.026 56.265 56.287 0.008 0.000 1.014 10 K CB 0.572 33.081 32.500 0.015 0.000 0.815 10 K HN 0.191 nan 8.250 nan 0.000 0.507 11 I N 2.888 123.417 120.570 -0.068 0.000 2.363 11 I HA 0.064 4.234 4.170 -0.000 0.000 0.292 11 I C 0.160 176.304 176.117 0.045 0.000 1.075 11 I CA -0.131 61.023 61.300 -0.244 0.000 1.333 11 I CB 0.254 38.361 38.000 0.178 0.000 1.415 11 I HN 0.006 nan 8.210 nan 0.000 0.502 12 K N 6.834 127.212 120.400 -0.036 0.000 2.258 12 K HA 0.382 4.702 4.320 -0.000 0.000 0.284 12 K C -1.374 175.327 176.600 0.168 0.000 1.051 12 K CA -0.307 56.084 56.287 0.174 0.000 0.923 12 K CB 0.653 33.257 32.500 0.175 0.000 1.046 12 K HN 0.251 nan 8.250 nan 0.000 0.474 13 F N 4.880 124.941 119.950 0.185 0.000 2.426 13 F HA 0.278 4.804 4.527 -0.000 0.000 0.348 13 F C -0.275 175.617 175.800 0.153 0.000 1.124 13 F CA -1.101 57.014 58.000 0.191 0.000 1.008 13 F CB 1.308 40.372 39.000 0.106 0.000 1.139 13 F HN 0.347 nan 8.300 nan 0.000 0.452 14 L N 6.194 127.576 121.223 0.266 0.000 2.265 14 L HA 0.583 4.922 4.340 -0.000 0.000 0.289 14 L C -1.400 175.570 176.870 0.166 0.000 1.033 14 L CA -0.352 54.606 54.840 0.197 0.000 0.814 14 L CB 0.559 42.694 42.059 0.127 0.000 1.203 14 L HN 0.467 nan 8.230 nan 0.000 0.423 15 L N 6.788 128.100 121.223 0.149 0.000 2.325 15 L HA 0.739 5.079 4.340 -0.000 0.000 0.281 15 L C -0.260 176.564 176.870 -0.076 0.000 1.004 15 L CA -0.910 53.948 54.840 0.031 0.000 0.823 15 L CB 1.711 43.825 42.059 0.092 0.000 1.236 15 L HN 0.546 nan 8.230 nan 0.000 0.415 16 V N -0.821 119.016 119.914 -0.128 0.000 3.158 16 V HA 0.584 4.704 4.120 -0.000 0.000 0.315 16 V C 0.194 176.176 176.094 -0.187 0.000 1.148 16 V CA -0.571 61.630 62.300 -0.167 0.000 1.042 16 V CB 1.726 33.480 31.823 -0.115 0.000 1.101 16 V HN 0.896 nan 8.190 nan 0.000 0.448 17 E N 0.453 120.551 120.200 -0.170 0.000 3.286 17 E HA -0.170 4.180 4.350 -0.000 0.000 0.292 17 E C 0.839 177.371 176.600 -0.114 0.000 0.928 17 E CA 0.654 56.985 56.400 -0.115 0.000 0.982 17 E CB -1.639 28.021 29.700 -0.066 0.000 1.500 17 E HN 2.291 nan 8.360 nan 0.000 0.441 18 G N 0.372 109.034 108.800 -0.229 0.000 2.374 18 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.289 18 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.289 18 G C 0.400 175.356 174.900 0.093 0.000 1.004 18 G CA 0.282 45.335 45.100 -0.078 0.000 1.292 18 G HN 0.887 nan 8.290 nan 0.000 0.502 19 V N -0.255 119.723 119.914 0.106 0.000 3.051 19 V HA 0.544 4.663 4.120 -0.000 0.000 0.306 19 V C 1.348 177.556 176.094 0.190 0.000 1.083 19 V CA -1.037 61.303 62.300 0.067 0.000 1.104 19 V CB 1.213 32.863 31.823 -0.289 0.000 1.027 19 V HN 0.654 nan 8.190 nan 0.000 0.483 20 H N 1.507 120.638 119.070 0.101 0.000 2.948 20 H HA 0.031 4.587 4.556 -0.000 0.000 0.351 20 H C 1.020 176.352 175.328 0.006 0.000 1.079 20 H CA 0.928 57.016 56.048 0.066 0.000 1.407 20 H CB 1.395 31.200 29.762 0.071 0.000 1.373 20 H HN 0.948 nan 8.280 nan 0.000 0.605 21 Q N 3.625 123.335 119.800 -0.151 0.000 2.181 21 Q HA -0.125 4.214 4.340 -0.000 0.000 0.205 21 Q C 1.813 177.872 176.000 0.098 0.000 0.980 21 Q CA 1.631 57.370 55.803 -0.106 0.000 0.862 21 Q CB 0.076 28.682 28.738 -0.220 0.000 0.905 21 Q HN 0.602 nan 8.270 nan 0.000 0.429 22 K N -0.833 119.812 120.400 0.407 0.000 2.280 22 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 22 K C 1.840 178.488 176.600 0.081 0.000 1.047 22 K CA 0.805 57.187 56.287 0.158 0.000 0.942 22 K CB -0.110 32.414 32.500 0.041 0.000 0.739 22 K HN 0.271 nan 8.250 nan 0.000 0.457 23 A N 1.493 124.391 122.820 0.129 0.000 1.877 23 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 23 A C 2.040 179.632 177.584 0.013 0.000 1.186 23 A CA 1.049 53.160 52.037 0.125 0.000 0.620 23 A CB -0.389 18.758 19.000 0.246 0.000 0.822 23 A HN 0.095 nan 8.150 nan 0.000 0.443 24 L N -0.354 120.846 121.223 -0.039 0.000 2.046 24 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 24 L C 2.549 179.363 176.870 -0.093 0.000 1.077 24 L CA 2.161 56.936 54.840 -0.108 0.000 0.747 24 L CB -1.342 40.603 42.059 -0.190 0.000 0.896 24 L HN 0.641 nan 8.230 nan 0.000 0.432 25 E N -0.358 119.804 120.200 -0.063 0.000 2.077 25 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 25 E C 2.365 178.933 176.600 -0.053 0.000 0.989 25 E CA 1.609 57.978 56.400 -0.053 0.000 0.800 25 E CB 0.176 29.859 29.700 -0.028 0.000 0.746 25 E HN 0.289 nan 8.360 nan 0.000 0.452 26 S N 0.070 115.743 115.700 -0.045 0.000 2.356 26 S HA -0.114 4.356 4.470 -0.000 0.000 0.223 26 S C 2.088 176.644 174.600 -0.074 0.000 1.032 26 S CA 0.915 59.085 58.200 -0.051 0.000 1.005 26 S CB -0.261 62.915 63.200 -0.040 0.000 0.867 26 S HN 0.296 nan 8.310 nan 0.000 0.449 27 L N 0.861 122.011 121.223 -0.122 0.000 2.012 27 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 27 L C 2.941 179.753 176.870 -0.097 0.000 1.073 27 L CA 1.604 56.327 54.840 -0.195 0.000 0.748 27 L CB -0.500 41.325 42.059 -0.390 0.000 0.891 27 L HN 0.304 nan 8.230 nan 0.000 0.431 28 R N -0.255 120.189 120.500 -0.093 0.000 2.092 28 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 28 R C 2.407 178.666 176.300 -0.067 0.000 1.119 28 R CA 1.194 57.252 56.100 -0.071 0.000 0.970 28 R CB -0.484 29.774 30.300 -0.069 0.000 0.864 28 R HN 0.344 nan 8.270 nan 0.000 0.440 29 A N 1.351 124.135 122.820 -0.060 0.000 1.972 29 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 29 A C 2.165 179.712 177.584 -0.061 0.000 1.169 29 A CA 1.634 53.638 52.037 -0.055 0.000 0.635 29 A CB -0.372 18.600 19.000 -0.046 0.000 0.810 29 A HN 0.377 nan 8.150 nan 0.000 0.446 30 A N -1.911 120.879 122.820 -0.050 0.000 2.238 30 A HA 0.424 4.743 4.320 -0.000 0.000 0.208 30 A C 1.683 179.156 177.584 -0.185 0.000 1.177 30 A CA 1.131 53.138 52.037 -0.050 0.000 0.804 30 A CB -0.902 18.134 19.000 0.061 0.000 0.823 30 A HN 1.860 nan 8.150 nan 0.000 0.482 31 G N -2.350 106.336 108.800 -0.190 0.000 2.157 31 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.239 31 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.239 31 G C -0.202 174.475 174.900 -0.371 0.000 0.982 31 G CA 0.206 45.135 45.100 -0.285 0.000 0.650 31 G HN 0.427 nan 8.290 nan 0.000 0.527 32 Y N 1.643 121.885 120.300 -0.097 0.000 2.595 32 Y HA 0.489 5.038 4.550 -0.000 0.000 0.336 32 Y C 1.620 177.448 175.900 -0.119 0.000 0.996 32 Y CA 0.081 58.124 58.100 -0.096 0.000 1.260 32 Y CB 1.283 39.595 38.460 -0.247 0.000 1.108 32 Y HN 0.219 nan 8.280 nan 0.000 0.509 33 T N -2.516 112.077 114.554 0.065 0.000 3.054 33 T HA 0.066 4.416 4.350 -0.000 0.000 0.255 33 T C 0.472 175.214 174.700 0.071 0.000 1.035 33 T CA -0.396 61.722 62.100 0.030 0.000 0.941 33 T CB -0.245 68.622 68.868 -0.001 0.000 1.026 33 T HN 0.562 nan 8.240 nan 0.000 0.533 34 N N 1.406 120.192 118.700 0.144 0.000 2.739 34 N HA 0.347 5.086 4.740 -0.000 0.000 0.266 34 N C -1.019 174.618 175.510 0.212 0.000 1.168 34 N CA -0.377 52.770 53.050 0.160 0.000 1.055 34 N CB -0.080 38.511 38.487 0.174 0.000 1.393 34 N HN 0.414 nan 8.380 nan 0.000 0.514 35 I N 1.462 122.121 120.570 0.149 0.000 2.406 35 I HA 0.191 4.361 4.170 -0.000 0.000 0.290 35 I C -0.133 176.074 176.117 0.150 0.000 0.999 35 I CA -0.777 60.625 61.300 0.170 0.000 1.124 35 I CB 1.922 39.980 38.000 0.096 0.000 1.289 35 I HN 0.378 nan 8.210 nan 0.000 0.441 36 E N 6.723 127.032 120.200 0.182 0.000 2.073 36 E HA 0.297 4.647 4.350 -0.000 0.000 0.269 36 E C -1.633 175.063 176.600 0.160 0.000 0.917 36 E CA -0.569 55.918 56.400 0.145 0.000 0.757 36 E CB 1.003 30.809 29.700 0.178 0.000 1.111 36 E HN 0.441 nan 8.360 nan 0.000 0.410 37 F N 3.859 123.735 119.950 -0.123 0.000 2.422 37 F HA 0.437 4.963 4.527 -0.000 0.000 0.333 37 F C -1.039 174.518 175.800 -0.406 0.000 1.095 37 F CA -0.351 57.560 58.000 -0.149 0.000 1.038 37 F CB 1.070 39.998 39.000 -0.119 0.000 1.156 37 F HN 0.534 nan 8.300 nan 0.000 0.483 38 H N 3.776 122.274 119.070 -0.954 0.000 2.856 38 H HA 0.324 4.879 4.556 -0.000 0.000 0.355 38 H C 0.211 174.969 175.328 -0.949 0.000 1.079 38 H CA -0.801 54.833 56.048 -0.689 0.000 1.240 38 H CB 1.968 31.530 29.762 -0.334 0.000 1.701 38 H HN 0.575 nan 8.280 nan 0.000 0.527 39 K N 1.621 121.732 120.400 -0.483 0.000 2.217 39 K HA 0.091 4.411 4.320 -0.000 0.000 0.202 39 K C 1.015 177.522 176.600 -0.156 0.000 1.051 39 K CA 0.883 57.002 56.287 -0.279 0.000 0.952 39 K CB 0.446 32.915 32.500 -0.052 0.000 0.736 39 K HN 0.609 nan 8.250 nan 0.000 0.453 40 G N 0.060 108.794 108.800 -0.109 0.000 3.013 40 G HA2 0.601 4.561 3.960 -0.000 0.000 0.278 40 G HA3 0.601 4.561 3.960 -0.000 0.000 0.278 40 G C -1.342 173.510 174.900 -0.079 0.000 1.353 40 G CA -0.673 44.385 45.100 -0.069 0.000 1.043 40 G HN 0.154 nan 8.290 nan 0.000 0.523 41 A N -0.921 121.862 122.820 -0.061 0.000 2.351 41 A HA 0.621 4.940 4.320 -0.000 0.000 0.257 41 A C -0.458 177.073 177.584 -0.089 0.000 1.087 41 A CA -0.122 51.875 52.037 -0.066 0.000 0.798 41 A CB 0.488 19.471 19.000 -0.029 0.000 1.033 41 A HN 0.443 nan 8.150 nan 0.000 0.488 42 L N 1.548 122.698 121.223 -0.121 0.000 2.379 42 L HA 0.331 4.671 4.340 -0.000 0.000 0.269 42 L C 0.294 177.113 176.870 -0.085 0.000 1.084 42 L CA 0.026 54.775 54.840 -0.152 0.000 0.802 42 L CB 1.040 42.962 42.059 -0.229 0.000 1.175 42 L HN 0.645 nan 8.230 nan 0.000 0.448 43 D N 0.825 121.180 120.400 -0.076 0.000 2.329 43 D HA 0.050 4.689 4.640 -0.000 0.000 0.246 43 D C 0.430 176.701 176.300 -0.048 0.000 1.111 43 D CA -0.298 53.673 54.000 -0.049 0.000 0.941 43 D CB 1.037 41.813 40.800 -0.041 0.000 1.169 43 D HN 0.492 nan 8.370 nan 0.000 0.441 44 D N 1.065 121.443 120.400 -0.037 0.000 2.204 44 D HA -0.232 4.408 4.640 -0.000 0.000 0.189 44 D C 1.600 177.879 176.300 -0.035 0.000 1.006 44 D CA 1.729 55.709 54.000 -0.033 0.000 0.855 44 D CB 0.023 40.804 40.800 -0.032 0.000 0.946 44 D HN 0.532 nan 8.370 nan 0.000 0.448 45 E N -0.051 120.129 120.200 -0.033 0.000 2.110 45 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 45 E C 2.247 178.826 176.600 -0.036 0.000 0.988 45 E CA 0.866 57.248 56.400 -0.029 0.000 0.804 45 E CB -0.115 29.571 29.700 -0.024 0.000 0.745 45 E HN 0.455 nan 8.360 nan 0.000 0.458 46 Q N 0.249 120.019 119.800 -0.050 0.000 2.079 46 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 46 Q C 2.282 178.230 176.000 -0.087 0.000 0.974 46 Q CA 0.749 56.509 55.803 -0.071 0.000 0.840 46 Q CB -0.107 28.569 28.738 -0.103 0.000 0.898 46 Q HN 0.169 nan 8.270 nan 0.000 0.430 47 L N 1.399 122.572 121.223 -0.083 0.000 1.994 47 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 47 L C 1.963 178.804 176.870 -0.048 0.000 1.071 47 L CA 1.851 56.645 54.840 -0.076 0.000 0.745 47 L CB -0.379 41.646 42.059 -0.056 0.000 0.892 47 L HN -0.023 nan 8.230 nan 0.000 0.431 48 K N -0.126 120.252 120.400 -0.037 0.000 2.074 48 K HA -0.185 4.134 4.320 -0.000 0.000 0.209 48 K C 2.018 178.605 176.600 -0.022 0.000 1.048 48 K CA 1.544 57.814 56.287 -0.027 0.000 0.926 48 K CB -0.459 32.027 32.500 -0.024 0.000 0.713 48 K HN 0.441 nan 8.250 nan 0.000 0.444 49 E N 0.147 120.335 120.200 -0.020 0.000 2.158 49 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 49 E C 2.071 178.671 176.600 0.000 0.000 0.982 49 E CA 0.515 56.910 56.400 -0.009 0.000 0.823 49 E CB 0.051 29.748 29.700 -0.005 0.000 0.766 49 E HN 0.124 nan 8.360 nan 0.000 0.468 50 S N 0.835 116.529 115.700 -0.009 0.000 2.395 50 S HA 0.058 4.528 4.470 -0.000 0.000 0.225 50 S C 1.948 176.559 174.600 0.018 0.000 1.027 50 S CA 0.190 58.397 58.200 0.012 0.000 0.965 50 S CB 0.098 63.288 63.200 -0.017 0.000 0.812 50 S HN 0.209 nan 8.310 nan 0.000 0.482 51 I N 1.060 121.627 120.570 -0.005 0.000 3.059 51 I HA 0.018 4.188 4.170 -0.000 0.000 0.270 51 I C 2.380 178.487 176.117 -0.017 0.000 1.238 51 I CA 0.339 61.634 61.300 -0.008 0.000 1.478 51 I CB -0.044 37.943 38.000 -0.021 0.000 1.097 51 I HN 0.167 nan 8.210 nan 0.000 0.455 52 R N 1.073 121.565 120.500 -0.014 0.000 2.119 52 R HA -0.231 4.109 4.340 -0.000 0.000 0.246 52 R C 1.074 177.359 176.300 -0.025 0.000 1.146 52 R CA 2.143 58.231 56.100 -0.020 0.000 0.962 52 R CB -0.215 30.079 30.300 -0.010 0.000 0.863 52 R HN 0.558 nan 8.270 nan 0.000 0.442 53 D N -1.435 118.966 120.400 0.002 0.000 2.440 53 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 53 D C -0.469 175.865 176.300 0.058 0.000 1.150 53 D CA -0.140 53.871 54.000 0.018 0.000 0.832 53 D CB 0.234 41.066 40.800 0.054 0.000 0.992 53 D HN 0.090 nan 8.370 nan 0.000 0.502 54 A N 0.545 123.380 122.820 0.025 0.000 2.409 54 A HA 0.251 4.571 4.320 -0.000 0.000 0.262 54 A C 0.290 177.847 177.584 -0.046 0.000 1.113 54 A CA -0.239 51.827 52.037 0.049 0.000 0.790 54 A CB 0.237 19.255 19.000 0.030 0.000 1.046 54 A HN 0.152 nan 8.150 nan 0.000 0.496 55 H N 1.129 120.079 119.070 -0.201 0.000 2.482 55 H HA 0.279 4.835 4.556 -0.000 0.000 0.286 55 H C -0.724 174.086 175.328 -0.864 0.000 1.017 55 H CA 1.312 57.087 56.048 -0.455 0.000 1.322 55 H CB 0.090 29.631 29.762 -0.368 0.000 1.426 55 H HN 0.598 nan 8.280 nan 0.000 0.546 56 F N -0.643 119.148 119.950 -0.266 0.000 2.601 56 F HA 0.394 4.921 4.527 -0.000 0.000 0.309 56 F C -0.781 174.959 175.800 -0.101 0.000 1.089 56 F CA -1.023 56.801 58.000 -0.293 0.000 0.940 56 F CB 2.422 40.965 39.000 -0.761 0.000 1.273 56 F HN -0.217 nan 8.300 nan 0.000 0.450 57 I N 1.381 122.059 120.570 0.180 0.000 2.533 57 I HA 0.783 4.953 4.170 -0.000 0.000 0.290 57 I C -0.848 175.405 176.117 0.226 0.000 1.056 57 I CA -0.387 61.008 61.300 0.158 0.000 1.057 57 I CB 1.771 39.814 38.000 0.072 0.000 1.240 57 I HN 0.686 nan 8.210 nan 0.000 0.423 58 G N 8.486 117.393 108.800 0.179 0.000 2.478 58 G HA2 0.637 4.597 3.960 -0.000 0.000 0.317 58 G HA3 0.637 4.597 3.960 -0.000 0.000 0.317 58 G C -1.085 173.814 174.900 -0.001 0.000 1.259 58 G CA -0.432 44.760 45.100 0.154 0.000 0.933 58 G HN 0.511 nan 8.290 nan 0.000 0.478 59 L N -0.463 120.835 121.223 0.125 0.000 2.389 59 L HA 0.750 5.089 4.340 -0.000 0.000 0.249 59 L C -0.409 176.525 176.870 0.107 0.000 1.083 59 L CA -1.251 53.616 54.840 0.045 0.000 0.876 59 L CB 1.085 43.160 42.059 0.027 0.000 1.489 59 L HN 0.573 nan 8.230 nan 0.000 0.412 60 R N -0.307 120.216 120.500 0.039 0.000 3.322 60 R HA 0.451 4.790 4.340 -0.000 0.000 0.189 60 R C 1.529 177.826 176.300 -0.005 0.000 1.510 60 R CA 0.167 56.297 56.100 0.050 0.000 0.827 60 R CB 0.126 30.449 30.300 0.040 0.000 1.856 60 R HN 0.822 nan 8.270 nan 0.000 0.497 61 S N 0.390 116.077 115.700 -0.021 0.000 2.470 61 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 61 S C 1.697 176.224 174.600 -0.121 0.000 1.006 61 S CA 0.489 58.651 58.200 -0.063 0.000 0.934 61 S CB -0.052 63.127 63.200 -0.035 0.000 0.778 61 S HN 0.310 nan 8.310 nan 0.000 0.517 62 R N 0.958 121.410 120.500 -0.080 0.000 2.200 62 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 62 R C 0.075 176.327 176.300 -0.080 0.000 1.033 62 R CA 0.638 56.700 56.100 -0.062 0.000 1.000 62 R CB -0.263 30.037 30.300 -0.000 0.000 0.906 62 R HN 0.282 nan 8.270 nan 0.000 0.462 63 T N 1.314 115.809 114.554 -0.098 0.000 2.814 63 T HA 0.104 4.454 4.350 -0.000 0.000 0.297 63 T C -0.611 174.004 174.700 -0.142 0.000 0.956 63 T CA -0.063 62.007 62.100 -0.050 0.000 1.123 63 T CB 0.571 69.416 68.868 -0.038 0.000 0.902 63 T HN 0.140 nan 8.240 nan 0.000 0.528 64 H N 2.499 121.557 119.070 -0.020 0.000 2.597 64 H HA 0.365 4.921 4.556 -0.000 0.000 0.303 64 H C -0.411 174.904 175.328 -0.021 0.000 1.057 64 H CA -0.733 55.304 56.048 -0.018 0.000 1.261 64 H CB 0.460 30.210 29.762 -0.018 0.000 1.397 64 H HN 0.236 nan 8.280 nan 0.000 0.461 65 L N 4.280 125.528 121.223 0.041 0.000 2.397 65 L HA 0.164 4.504 4.340 -0.000 0.000 0.263 65 L C 0.428 177.311 176.870 0.021 0.000 1.136 65 L CA -0.287 54.565 54.840 0.019 0.000 1.019 65 L CB -0.678 41.377 42.059 -0.006 0.000 1.352 65 L HN 0.730 nan 8.230 nan 0.000 0.420 66 T N -2.086 112.488 114.554 0.034 0.000 2.788 66 T HA 0.086 4.436 4.350 -0.000 0.000 0.287 66 T C 1.132 175.832 174.700 0.000 0.000 1.007 66 T CA -0.226 61.887 62.100 0.021 0.000 1.005 66 T CB 0.783 69.662 68.868 0.019 0.000 1.012 66 T HN 0.578 nan 8.240 nan 0.000 0.530 67 E N 0.189 120.386 120.200 -0.005 0.000 2.085 67 E HA -0.263 4.087 4.350 -0.000 0.000 0.194 67 E C 1.475 178.066 176.600 -0.016 0.000 0.994 67 E CA 1.617 58.009 56.400 -0.013 0.000 0.801 67 E CB -0.137 29.555 29.700 -0.014 0.000 0.743 67 E HN 0.697 nan 8.360 nan 0.000 0.453 68 D N -0.192 120.200 120.400 -0.014 0.000 2.097 68 D HA -0.128 4.511 4.640 -0.000 0.000 0.197 68 D C 2.105 178.394 176.300 -0.018 0.000 0.984 68 D CA 1.191 55.181 54.000 -0.016 0.000 0.826 68 D CB 0.094 40.885 40.800 -0.016 0.000 0.973 68 D HN 0.123 nan 8.370 nan 0.000 0.460 69 V N 1.636 121.541 119.914 -0.015 0.000 2.287 69 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 69 V C 2.587 178.666 176.094 -0.025 0.000 1.053 69 V CA 1.141 63.430 62.300 -0.017 0.000 1.027 69 V CB -0.348 31.470 31.823 -0.009 0.000 0.646 69 V HN 0.201 nan 8.190 nan 0.000 0.447 70 I N 0.546 121.101 120.570 -0.026 0.000 2.142 70 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 70 I C 2.307 178.399 176.117 -0.041 0.000 1.078 70 I CA 1.605 62.883 61.300 -0.037 0.000 1.343 70 I CB -0.558 37.420 38.000 -0.036 0.000 1.046 70 I HN 0.362 nan 8.210 nan 0.000 0.405 71 N N 1.060 119.740 118.700 -0.034 0.000 2.364 71 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 71 N C 1.734 177.223 175.510 -0.035 0.000 1.022 71 N CA 1.313 54.342 53.050 -0.034 0.000 0.883 71 N CB -0.227 38.243 38.487 -0.028 0.000 0.965 71 N HN 0.376 nan 8.380 nan 0.000 0.438 72 A N 0.740 123.540 122.820 -0.033 0.000 1.930 72 A HA 0.265 4.585 4.320 -0.000 0.000 0.215 72 A C 1.212 178.773 177.584 -0.040 0.000 1.176 72 A CA 0.638 52.656 52.037 -0.032 0.000 0.632 72 A CB -0.451 18.533 19.000 -0.027 0.000 0.819 72 A HN 0.251 nan 8.150 nan 0.000 0.445 73 A N 1.125 123.916 122.820 -0.048 0.000 2.491 73 A HA 0.357 4.676 4.320 -0.000 0.000 0.261 73 A C 0.765 178.303 177.584 -0.078 0.000 1.101 73 A CA 0.331 52.330 52.037 -0.063 0.000 0.772 73 A CB -0.155 18.801 19.000 -0.073 0.000 1.043 73 A HN 0.626 nan 8.150 nan 0.000 0.501 74 E N 1.922 122.073 120.200 -0.082 0.000 2.474 74 E HA 0.109 4.459 4.350 -0.000 0.000 0.195 74 E C 0.369 176.888 176.600 -0.136 0.000 1.039 74 E CA 0.237 56.584 56.400 -0.089 0.000 0.881 74 E CB 0.143 29.806 29.700 -0.063 0.000 0.970 74 E HN 0.740 nan 8.360 nan 0.000 0.486 75 K N 0.539 120.822 120.400 -0.195 0.000 2.554 75 K HA 0.172 4.492 4.320 -0.000 0.000 0.211 75 K C -0.175 176.182 176.600 -0.406 0.000 1.226 75 K CA -0.509 55.575 56.287 -0.338 0.000 1.025 75 K CB 0.828 33.046 32.500 -0.470 0.000 1.021 75 K HN -0.014 nan 8.250 nan 0.000 0.600 76 L N 1.981 123.036 121.223 -0.281 0.000 2.640 76 L HA -0.084 4.256 4.340 -0.000 0.000 0.280 76 L C 0.842 177.516 176.870 -0.327 0.000 1.229 76 L CA 0.775 55.442 54.840 -0.289 0.000 0.919 76 L CB 0.816 42.766 42.059 -0.183 0.000 1.168 76 L HN -0.099 nan 8.230 nan 0.000 0.496 77 V N 4.469 124.089 119.914 -0.490 0.000 2.908 77 V HA 0.523 4.642 4.120 -0.000 0.000 0.240 77 V C 0.628 176.548 176.094 -0.290 0.000 1.117 77 V CA 0.819 62.864 62.300 -0.425 0.000 1.133 77 V CB 0.098 31.513 31.823 -0.680 0.000 0.857 77 V HN 0.948 nan 8.190 nan 0.000 0.478 78 A N -0.465 122.136 122.820 -0.365 0.000 2.608 78 A HA 0.767 5.087 4.320 -0.000 0.000 0.292 78 A C -1.591 176.014 177.584 0.035 0.000 1.066 78 A CA -0.409 51.560 52.037 -0.114 0.000 0.676 78 A CB 1.344 20.428 19.000 0.140 0.000 1.277 78 A HN 0.116 nan 8.150 nan 0.000 0.413 79 I N 0.983 121.569 120.570 0.026 0.000 2.433 79 I HA 0.573 4.742 4.170 -0.000 0.000 0.292 79 I C 0.611 176.832 176.117 0.173 0.000 1.001 79 I CA -0.563 60.789 61.300 0.086 0.000 1.119 79 I CB 2.338 40.335 38.000 -0.005 0.000 1.289 79 I HN 0.778 nan 8.210 nan 0.000 0.438 80 G N 4.549 113.508 108.800 0.265 0.000 2.468 80 G HA2 0.623 4.582 3.960 -0.000 0.000 0.315 80 G HA3 0.623 4.582 3.960 -0.000 0.000 0.315 80 G C -0.534 174.548 174.900 0.303 0.000 1.203 80 G CA -0.444 44.819 45.100 0.271 0.000 0.962 80 G HN 0.732 nan 8.290 nan 0.000 0.476 81 A N 2.893 125.788 122.820 0.125 0.000 2.391 81 A HA 0.565 4.885 4.320 -0.000 0.000 0.316 81 A C -0.231 177.409 177.584 0.093 0.000 1.381 81 A CA -0.626 51.488 52.037 0.128 0.000 0.998 81 A CB -0.284 18.732 19.000 0.027 0.000 1.147 81 A HN 0.671 nan 8.150 nan 0.000 0.545 82 F N 2.785 122.748 119.950 0.022 0.000 2.662 82 F HA 0.421 4.948 4.527 -0.000 0.000 0.365 82 F C 1.063 176.867 175.800 0.007 0.000 1.222 82 F CA 1.161 59.174 58.000 0.023 0.000 1.315 82 F CB -0.081 38.946 39.000 0.045 0.000 1.711 82 F HN 0.777 nan 8.300 nan 0.000 0.651 83 A N 0.497 123.352 122.820 0.057 0.000 2.361 83 A HA 0.457 4.777 4.320 -0.000 0.000 0.297 83 A C 0.223 177.786 177.584 -0.035 0.000 1.036 83 A CA -0.772 51.278 52.037 0.022 0.000 0.589 83 A CB 0.215 19.236 19.000 0.036 0.000 1.418 83 A HN 0.224 nan 8.150 nan 0.000 0.539 84 I N 0.740 121.285 120.570 -0.042 0.000 2.494 84 I HA 0.143 4.313 4.170 -0.000 0.000 0.250 84 I C 1.698 177.778 176.117 -0.063 0.000 1.112 84 I CA 1.112 62.369 61.300 -0.072 0.000 1.438 84 I CB -0.320 37.639 38.000 -0.069 0.000 1.111 84 I HN 0.704 nan 8.210 nan 0.000 0.431 85 G N 0.614 109.388 108.800 -0.042 0.000 2.467 85 G HA2 0.323 4.283 3.960 -0.000 0.000 0.257 85 G HA3 0.323 4.283 3.960 -0.000 0.000 0.257 85 G C 0.478 175.354 174.900 -0.041 0.000 1.227 85 G CA 0.154 45.230 45.100 -0.041 0.000 0.835 85 G HN 0.318 nan 8.290 nan 0.000 0.556 86 T N -1.543 112.983 114.554 -0.046 0.000 3.275 86 T HA 0.135 4.485 4.350 -0.000 0.000 0.298 86 T C 1.114 175.786 174.700 -0.048 0.000 0.988 86 T CA -0.498 61.573 62.100 -0.047 0.000 0.936 86 T CB 0.085 68.919 68.868 -0.056 0.000 1.159 86 T HN 0.357 nan 8.240 nan 0.000 0.519 87 N N 2.653 121.326 118.700 -0.045 0.000 2.443 87 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 87 N C 1.984 177.465 175.510 -0.048 0.000 1.037 87 N CA 1.030 54.057 53.050 -0.037 0.000 0.896 87 N CB -0.009 38.462 38.487 -0.027 0.000 0.959 87 N HN 0.711 nan 8.380 nan 0.000 0.442 88 Q N 0.151 119.898 119.800 -0.088 0.000 2.432 88 Q HA 0.063 4.402 4.340 -0.000 0.000 0.205 88 Q C 0.260 176.207 176.000 -0.089 0.000 0.945 88 Q CA 0.403 56.110 55.803 -0.160 0.000 0.924 88 Q CB 0.007 28.589 28.738 -0.259 0.000 1.016 88 Q HN -0.011 nan 8.270 nan 0.000 0.503 89 V N 2.647 122.529 119.914 -0.054 0.000 2.513 89 V HA 0.160 4.280 4.120 -0.000 0.000 0.299 89 V C -0.381 175.697 176.094 -0.027 0.000 1.035 89 V CA -0.872 61.407 62.300 -0.036 0.000 0.889 89 V CB 1.801 33.600 31.823 -0.039 0.000 0.988 89 V HN 0.115 nan 8.190 nan 0.000 0.440 90 D N 4.081 124.469 120.400 -0.019 0.000 2.435 90 D HA 0.092 4.732 4.640 -0.000 0.000 0.230 90 D C 0.927 177.208 176.300 -0.031 0.000 1.215 90 D CA -0.287 53.702 54.000 -0.018 0.000 0.947 90 D CB 1.073 41.867 40.800 -0.011 0.000 1.048 90 D HN 0.271 nan 8.370 nan 0.000 0.512 91 L N 3.420 124.622 121.223 -0.036 0.000 2.013 91 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 91 L C 1.917 178.762 176.870 -0.041 0.000 1.073 91 L CA 1.588 56.400 54.840 -0.046 0.000 0.753 91 L CB -0.579 41.451 42.059 -0.048 0.000 0.890 91 L HN 0.403 nan 8.230 nan 0.000 0.432 92 D N -0.878 119.500 120.400 -0.036 0.000 2.117 92 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 92 D C 2.177 178.456 176.300 -0.036 0.000 0.987 92 D CA 1.449 55.427 54.000 -0.038 0.000 0.829 92 D CB 0.027 40.807 40.800 -0.032 0.000 0.961 92 D HN 0.334 nan 8.370 nan 0.000 0.460 93 A N 1.351 124.153 122.820 -0.031 0.000 1.883 93 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 93 A C 2.358 179.923 177.584 -0.033 0.000 1.186 93 A CA 2.467 54.486 52.037 -0.030 0.000 0.624 93 A CB -0.762 18.223 19.000 -0.026 0.000 0.822 93 A HN 0.248 nan 8.150 nan 0.000 0.444 94 A N -0.169 122.630 122.820 -0.036 0.000 1.877 94 A HA 0.126 4.446 4.320 -0.000 0.000 0.216 94 A C 2.550 180.128 177.584 -0.011 0.000 1.186 94 A CA 2.340 54.354 52.037 -0.039 0.000 0.620 94 A CB -1.164 17.801 19.000 -0.059 0.000 0.822 94 A HN 1.137 nan 8.150 nan 0.000 0.443 95 A N -0.002 122.814 122.820 -0.007 0.000 1.883 95 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 95 A C 2.082 179.637 177.584 -0.048 0.000 1.186 95 A CA 1.966 53.998 52.037 -0.008 0.000 0.624 95 A CB -0.562 18.397 19.000 -0.068 0.000 0.822 95 A HN 0.561 nan 8.150 nan 0.000 0.444 96 K N -0.741 119.629 120.400 -0.051 0.000 2.218 96 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 96 K C 1.657 178.234 176.600 -0.038 0.000 1.046 96 K CA 1.403 57.659 56.287 -0.051 0.000 0.933 96 K CB -0.154 32.322 32.500 -0.040 0.000 0.728 96 K HN 0.382 nan 8.250 nan 0.000 0.454 97 R N -0.147 120.338 120.500 -0.025 0.000 2.388 97 R HA 0.060 4.400 4.340 -0.000 0.000 0.247 97 R C 0.417 176.718 176.300 0.001 0.000 0.931 97 R CA 0.359 56.446 56.100 -0.023 0.000 1.082 97 R CB 0.606 30.884 30.300 -0.036 0.000 1.135 97 R HN 0.308 nan 8.270 nan 0.000 0.525 98 G N 1.977 110.803 108.800 0.044 0.000 2.246 98 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.273 98 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.273 98 G C -0.019 174.993 174.900 0.187 0.000 1.055 98 G CA -0.056 45.147 45.100 0.172 0.000 0.851 98 G HN 0.303 nan 8.290 nan 0.000 0.500 99 I N 1.888 122.521 120.570 0.105 0.000 2.390 99 I HA 0.291 4.461 4.170 -0.000 0.000 0.283 99 I C -1.906 174.037 176.117 -0.289 0.000 1.016 99 I CA -2.449 58.767 61.300 -0.140 0.000 1.151 99 I CB 2.160 40.086 38.000 -0.124 0.000 1.293 99 I HN -0.053 nan 8.210 nan 0.000 0.458 100 P HA 0.157 nan 4.420 nan 0.000 0.275 100 P C -0.718 176.140 177.300 -0.738 0.000 1.228 100 P CA -0.179 62.290 63.100 -1.053 0.000 0.786 100 P CB 1.880 32.452 31.700 -1.881 0.000 0.927 101 V N 3.649 123.176 119.914 -0.645 0.000 2.448 101 V HA 0.374 4.494 4.120 -0.000 0.000 0.295 101 V C -0.143 175.625 176.094 -0.544 0.000 1.025 101 V CA -0.317 61.736 62.300 -0.412 0.000 0.859 101 V CB 0.668 32.360 31.823 -0.218 0.000 0.988 101 V HN 0.365 nan 8.190 nan 0.000 0.431 102 F N 4.675 124.525 119.950 -0.168 0.000 2.480 102 F HA 0.636 5.162 4.527 -0.000 0.000 0.329 102 F C 0.538 176.234 175.800 -0.173 0.000 1.091 102 F CA -0.527 57.369 58.000 -0.174 0.000 0.972 102 F CB 1.879 40.769 39.000 -0.185 0.000 1.150 102 F HN 0.657 nan 8.300 nan 0.000 0.467 103 N N 1.122 119.827 118.700 0.008 0.000 3.294 103 N HA 0.731 5.471 4.740 -0.000 0.000 0.355 103 N C -1.592 173.830 175.510 -0.148 0.000 1.497 103 N CA -0.960 52.036 53.050 -0.089 0.000 0.707 103 N CB 1.247 39.675 38.487 -0.098 0.000 1.732 103 N HN 0.502 nan 8.380 nan 0.000 0.640 104 A N 0.439 123.156 122.820 -0.172 0.000 2.938 104 A HA 0.421 4.741 4.320 -0.000 0.000 0.344 104 A C -1.786 175.649 177.584 -0.248 0.000 1.142 104 A CA -1.249 50.671 52.037 -0.196 0.000 0.841 104 A CB 0.357 19.262 19.000 -0.159 0.000 1.083 104 A HN 0.625 nan 8.150 nan 0.000 0.479 105 P HA -0.081 nan 4.420 nan 0.000 0.222 105 P C 0.441 177.274 177.300 -0.778 0.000 1.147 105 P CA 1.211 63.912 63.100 -0.665 0.000 0.790 105 P CB -0.006 31.111 31.700 -0.971 0.000 0.780 106 F N -1.405 118.433 119.950 -0.186 0.000 2.688 106 F HA 0.267 4.794 4.527 -0.000 0.000 0.310 106 F C 2.147 177.842 175.800 -0.175 0.000 1.098 106 F CA -0.279 57.566 58.000 -0.258 0.000 1.228 106 F CB -0.061 38.636 39.000 -0.506 0.000 1.042 106 F HN -0.247 nan 8.300 nan 0.000 0.557 107 S N 0.172 115.862 115.700 -0.016 0.000 2.447 107 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 107 S C 1.622 176.216 174.600 -0.010 0.000 1.006 107 S CA 0.926 59.115 58.200 -0.019 0.000 0.957 107 S CB -0.236 62.939 63.200 -0.042 0.000 0.773 107 S HN 0.396 nan 8.310 nan 0.000 0.507 108 N N 0.754 119.450 118.700 -0.006 0.000 2.322 108 N HA 0.088 4.828 4.740 -0.000 0.000 0.194 108 N C 0.955 176.472 175.510 0.013 0.000 1.126 108 N CA 0.184 53.235 53.050 0.002 0.000 0.845 108 N CB 0.180 38.667 38.487 0.001 0.000 0.976 108 N HN 0.288 nan 8.380 nan 0.000 0.475 109 T N 1.248 115.814 114.554 0.020 0.000 2.607 109 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 109 T C 2.044 176.736 174.700 -0.014 0.000 1.049 109 T CA 1.417 63.526 62.100 0.015 0.000 1.162 109 T CB -0.041 68.840 68.868 0.021 0.000 0.863 109 T HN 0.237 nan 8.240 nan 0.000 0.424 110 R N 1.215 121.706 120.500 -0.016 0.000 2.091 110 R HA -0.028 4.311 4.340 -0.000 0.000 0.238 110 R C 2.623 178.915 176.300 -0.014 0.000 1.136 110 R CA 2.079 58.166 56.100 -0.023 0.000 0.959 110 R CB -1.148 29.140 30.300 -0.020 0.000 0.856 110 R HN 0.298 nan 8.270 nan 0.000 0.437 111 S N -0.860 114.838 115.700 -0.003 0.000 2.370 111 S HA -0.097 4.373 4.470 -0.000 0.000 0.226 111 S C 1.845 176.453 174.600 0.013 0.000 1.033 111 S CA 1.528 59.731 58.200 0.006 0.000 1.011 111 S CB -0.314 62.892 63.200 0.010 0.000 0.852 111 S HN 0.221 nan 8.310 nan 0.000 0.457 112 V N 2.025 121.948 119.914 0.016 0.000 2.427 112 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 112 V C 2.828 178.938 176.094 0.026 0.000 1.051 112 V CA 1.620 63.942 62.300 0.037 0.000 1.048 112 V CB -1.374 30.483 31.823 0.057 0.000 0.666 112 V HN 0.602 nan 8.190 nan 0.000 0.456 113 A N -0.149 122.656 122.820 -0.026 0.000 1.877 113 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 113 A C 2.192 179.775 177.584 -0.003 0.000 1.186 113 A CA 1.934 53.943 52.037 -0.046 0.000 0.620 113 A CB -0.469 18.484 19.000 -0.079 0.000 0.822 113 A HN 0.619 nan 8.150 nan 0.000 0.443 114 E N -0.767 119.434 120.200 0.001 0.000 2.077 114 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 114 E C 1.975 178.589 176.600 0.024 0.000 0.989 114 E CA 1.222 57.628 56.400 0.010 0.000 0.800 114 E CB -0.304 29.401 29.700 0.008 0.000 0.746 114 E HN 0.513 nan 8.360 nan 0.000 0.452 115 L N 0.971 122.212 121.223 0.031 0.000 2.042 115 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 115 L C 2.255 179.155 176.870 0.050 0.000 1.076 115 L CA 1.402 56.266 54.840 0.039 0.000 0.749 115 L CB -0.391 41.694 42.059 0.043 0.000 0.893 115 L HN -0.073 nan 8.230 nan 0.000 0.432 116 V N -0.051 119.905 119.914 0.069 0.000 2.332 116 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 116 V C 2.555 178.688 176.094 0.065 0.000 1.055 116 V CA 1.833 64.186 62.300 0.088 0.000 1.038 116 V CB -0.638 31.272 31.823 0.146 0.000 0.651 116 V HN 0.403 nan 8.190 nan 0.000 0.450 117 I N 0.916 121.516 120.570 0.051 0.000 2.179 117 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 117 I C 2.651 178.789 176.117 0.035 0.000 1.088 117 I CA 2.098 63.421 61.300 0.039 0.000 1.357 117 I CB -1.862 36.154 38.000 0.026 0.000 1.051 117 I HN 0.409 nan 8.210 nan 0.000 0.409 118 G N 0.514 109.333 108.800 0.033 0.000 2.418 118 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 118 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 118 G C 1.570 176.490 174.900 0.034 0.000 1.158 118 G CA 0.485 45.603 45.100 0.030 0.000 0.771 118 G HN 0.453 nan 8.290 nan 0.000 0.545 119 E N 0.227 120.449 120.200 0.038 0.000 2.047 119 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 119 E C 2.514 179.137 176.600 0.039 0.000 0.987 119 E CA 1.237 57.660 56.400 0.038 0.000 0.799 119 E CB -0.260 29.463 29.700 0.039 0.000 0.752 119 E HN 0.528 nan 8.360 nan 0.000 0.449 120 L N -0.434 120.815 121.223 0.043 0.000 2.093 120 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 120 L C 2.089 178.986 176.870 0.046 0.000 1.085 120 L CA 1.521 56.388 54.840 0.044 0.000 0.755 120 L CB -0.708 41.380 42.059 0.048 0.000 0.904 120 L HN 0.012 nan 8.230 nan 0.000 0.435 121 L N -0.600 120.648 121.223 0.041 0.000 2.017 121 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 121 L C 2.696 179.591 176.870 0.042 0.000 1.073 121 L CA 1.430 56.294 54.840 0.040 0.000 0.745 121 L CB -0.549 41.528 42.059 0.031 0.000 0.894 121 L HN 0.350 nan 8.230 nan 0.000 0.432 122 L N -0.889 120.357 121.223 0.038 0.000 2.109 122 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 122 L C 2.502 179.397 176.870 0.041 0.000 1.086 122 L CA 0.958 55.819 54.840 0.036 0.000 0.760 122 L CB -0.432 41.647 42.059 0.032 0.000 0.910 122 L HN 0.283 nan 8.230 nan 0.000 0.437 123 L N -0.640 120.610 121.223 0.044 0.000 2.046 123 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 123 L C 2.527 179.439 176.870 0.070 0.000 1.077 123 L CA 0.704 55.573 54.840 0.048 0.000 0.747 123 L CB -0.397 41.685 42.059 0.039 0.000 0.896 123 L HN 0.219 nan 8.230 nan 0.000 0.432 124 L N -0.218 121.057 121.223 0.086 0.000 2.187 124 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 124 L C 2.393 179.354 176.870 0.152 0.000 1.100 124 L CA 1.684 56.614 54.840 0.150 0.000 0.765 124 L CB -0.709 41.433 42.059 0.138 0.000 0.904 124 L HN 0.188 nan 8.230 nan 0.000 0.437 125 R N -0.836 119.706 120.500 0.070 0.000 2.334 125 R HA 0.281 4.621 4.340 -0.000 0.000 0.216 125 R C 1.157 177.455 176.300 -0.004 0.000 0.905 125 R CA 0.664 56.770 56.100 0.011 0.000 1.064 125 R CB -0.302 30.002 30.300 0.008 0.000 1.046 125 R HN 0.354 nan 8.270 nan 0.000 0.508 126 G N 1.087 109.902 108.800 0.026 0.000 2.198 126 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.260 126 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.260 126 G C 0.897 175.810 174.900 0.022 0.000 1.025 126 G CA 0.510 45.623 45.100 0.023 0.000 0.769 126 G HN 0.214 nan 8.290 nan 0.000 0.507 127 V N 0.415 120.344 119.914 0.025 0.000 2.358 127 V HA -0.110 4.009 4.120 -0.000 0.000 0.246 127 V C 0.909 177.026 176.094 0.038 0.000 1.047 127 V CA 2.519 64.836 62.300 0.028 0.000 1.035 127 V CB -0.804 31.036 31.823 0.028 0.000 0.658 127 V HN 0.398 nan 8.190 nan 0.000 0.452 128 P HA -0.190 nan 4.420 nan 0.000 0.215 128 P C 1.686 179.013 177.300 0.046 0.000 1.153 128 P CA 1.545 64.668 63.100 0.039 0.000 0.853 128 P CB 0.086 31.809 31.700 0.039 0.000 0.788 129 E N -0.487 119.742 120.200 0.048 0.000 2.072 129 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 129 E C 1.956 178.586 176.600 0.050 0.000 0.985 129 E CA 1.075 57.507 56.400 0.053 0.000 0.801 129 E CB -0.490 29.243 29.700 0.055 0.000 0.750 129 E HN 0.042 nan 8.360 nan 0.000 0.452 130 A N 1.573 124.419 122.820 0.043 0.000 1.933 130 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 130 A C 2.048 179.671 177.584 0.064 0.000 1.175 130 A CA 1.626 53.688 52.037 0.041 0.000 0.628 130 A CB -0.867 18.150 19.000 0.027 0.000 0.814 130 A HN 0.419 nan 8.150 nan 0.000 0.444 131 N N 0.312 119.060 118.700 0.080 0.000 2.084 131 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 131 N C 1.973 177.604 175.510 0.202 0.000 1.030 131 N CA 1.477 54.612 53.050 0.142 0.000 0.849 131 N CB -0.230 38.326 38.487 0.115 0.000 1.012 131 N HN 0.360 nan 8.380 nan 0.000 0.423 132 A N 1.359 124.242 122.820 0.104 0.000 1.908 132 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 132 A C 2.195 179.844 177.584 0.108 0.000 1.181 132 A CA 1.353 53.438 52.037 0.080 0.000 0.627 132 A CB -0.398 18.627 19.000 0.041 0.000 0.818 132 A HN 0.369 nan 8.150 nan 0.000 0.445 133 K N -0.413 120.038 120.400 0.085 0.000 2.057 133 K HA -0.006 4.313 4.320 -0.000 0.000 0.206 133 K C 2.324 178.963 176.600 0.065 0.000 1.050 133 K CA 0.995 57.321 56.287 0.064 0.000 0.935 133 K CB -0.322 32.204 32.500 0.044 0.000 0.715 133 K HN 0.434 nan 8.250 nan 0.000 0.439 134 A N 1.111 123.974 122.820 0.071 0.000 1.908 134 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 134 A C 1.568 179.139 177.584 -0.022 0.000 1.181 134 A CA 1.592 53.637 52.037 0.013 0.000 0.627 134 A CB -0.763 18.231 19.000 -0.010 0.000 0.818 134 A HN 0.319 nan 8.150 nan 0.000 0.445 135 H N -1.054 118.021 119.070 0.008 0.000 2.559 135 H HA 0.106 4.662 4.556 -0.000 0.000 0.273 135 H C 1.902 177.234 175.328 0.006 0.000 1.000 135 H CA 1.005 57.057 56.048 0.008 0.000 1.195 135 H CB 0.105 29.873 29.762 0.009 0.000 1.368 135 H HN 0.423 nan 8.280 nan 0.000 0.592 136 R N -1.097 119.463 120.500 0.101 0.000 2.365 136 R HA 0.184 4.524 4.340 -0.000 0.000 0.223 136 R C 0.878 177.196 176.300 0.030 0.000 0.899 136 R CA 0.599 56.734 56.100 0.059 0.000 1.059 136 R CB 0.979 31.309 30.300 0.051 0.000 1.086 136 R HN 0.404 nan 8.270 nan 0.000 0.522 137 G N 1.090 109.900 108.800 0.017 0.000 2.175 137 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 137 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 137 G C 0.220 175.124 174.900 0.006 0.000 0.982 137 G CA 0.038 45.140 45.100 0.003 0.000 0.641 137 G HN 0.106 nan 8.290 nan 0.000 0.527 138 V N 0.390 120.313 119.914 0.014 0.000 2.785 138 V HA 0.787 4.907 4.120 -0.000 0.000 0.300 138 V C 1.104 177.205 176.094 0.011 0.000 1.062 138 V CA 0.533 62.841 62.300 0.013 0.000 1.029 138 V CB 1.512 33.347 31.823 0.019 0.000 1.024 138 V HN 0.919 nan 8.190 nan 0.000 0.477 147 F N 1.514 121.467 119.950 0.005 0.000 2.626 147 F HA 0.533 5.060 4.527 -0.000 0.000 0.311 147 F C 0.308 176.109 175.800 0.002 0.000 1.088 147 F CA -0.970 57.032 58.000 0.004 0.000 0.949 147 F CB 1.159 40.162 39.000 0.004 0.000 1.322 147 F HN 0.407 nan 8.300 nan 0.000 0.461 148 E N 0.224 120.536 120.200 0.188 0.000 2.373 148 E HA 0.438 4.788 4.350 -0.000 0.000 0.263 148 E C 0.283 176.938 176.600 0.091 0.000 1.073 148 E CA -0.018 56.441 56.400 0.099 0.000 0.894 148 E CB 1.408 31.148 29.700 0.066 0.000 1.008 148 E HN 0.739 nan 8.360 nan 0.000 0.420 149 A N 3.640 126.489 122.820 0.048 0.000 1.975 149 A HA -0.073 4.247 4.320 -0.000 0.000 0.215 149 A C 0.967 178.534 177.584 -0.028 0.000 1.170 149 A CA 0.431 52.481 52.037 0.021 0.000 0.656 149 A CB -0.270 18.739 19.000 0.015 0.000 0.821 149 A HN 0.665 nan 8.150 nan 0.000 0.449 150 R N -0.780 119.698 120.500 -0.037 0.000 2.570 150 R HA 0.361 4.701 4.340 -0.000 0.000 0.277 150 R C 0.908 177.135 176.300 -0.121 0.000 1.039 150 R CA 0.582 56.624 56.100 -0.096 0.000 1.065 150 R CB -0.134 30.128 30.300 -0.064 0.000 0.964 150 R HN 0.859 nan 8.270 nan 0.000 0.428 151 G N 1.399 110.024 108.800 -0.292 0.000 2.199 151 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.254 151 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.254 151 G C -0.220 174.622 174.900 -0.098 0.000 0.982 151 G CA 0.248 45.204 45.100 -0.239 0.000 0.632 151 G HN 0.579 nan 8.290 nan 0.000 0.529 152 K N 0.604 120.941 120.400 -0.104 0.000 2.087 152 K HA 0.520 4.840 4.320 -0.000 0.000 0.255 152 K C 0.335 176.977 176.600 0.070 0.000 0.988 152 K CA -0.400 55.888 56.287 0.002 0.000 0.915 152 K CB 0.985 33.476 32.500 -0.015 0.000 1.043 152 K HN 0.279 nan 8.250 nan 0.000 0.457 153 K N 1.550 122.031 120.400 0.136 0.000 2.211 153 K HA 0.286 4.606 4.320 -0.000 0.000 0.275 153 K C -0.460 176.241 176.600 0.167 0.000 1.024 153 K CA -0.826 55.600 56.287 0.232 0.000 0.887 153 K CB 0.962 33.577 32.500 0.193 0.000 1.084 153 K HN 0.211 nan 8.250 nan 0.000 0.463 154 L N 1.829 123.182 121.223 0.217 0.000 2.282 154 L HA 0.472 4.812 4.340 -0.000 0.000 0.288 154 L C -0.258 176.753 176.870 0.234 0.000 1.033 154 L CA 0.114 55.059 54.840 0.175 0.000 0.807 154 L CB 1.450 43.597 42.059 0.147 0.000 1.209 154 L HN 0.670 nan 8.230 nan 0.000 0.423 155 G N 6.625 115.535 108.800 0.183 0.000 2.415 155 G HA2 0.545 4.505 3.960 -0.000 0.000 0.317 155 G HA3 0.545 4.505 3.960 -0.000 0.000 0.317 155 G C -0.666 174.363 174.900 0.216 0.000 1.152 155 G CA -0.455 44.766 45.100 0.201 0.000 0.956 155 G HN 0.620 nan 8.290 nan 0.000 0.458 156 I N 3.131 123.876 120.570 0.291 0.000 2.321 156 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 156 I C -0.121 176.207 176.117 0.352 0.000 0.998 156 I CA -0.533 60.964 61.300 0.328 0.000 1.227 156 I CB 1.706 39.934 38.000 0.381 0.000 1.368 156 I HN 0.229 nan 8.210 nan 0.000 0.466 157 I N 5.915 126.659 120.570 0.290 0.000 2.307 157 I HA 0.457 4.626 4.170 -0.000 0.000 0.289 157 I C 0.507 176.787 176.117 0.273 0.000 1.021 157 I CA -0.321 61.161 61.300 0.303 0.000 1.224 157 I CB 1.152 39.286 38.000 0.224 0.000 1.376 157 I HN 0.870 nan 8.210 nan 0.000 0.470 158 G N 5.097 114.061 108.800 0.273 0.000 2.860 158 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.547 158 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.547 158 G C -0.890 174.125 174.900 0.191 0.000 1.103 158 G CA -0.745 44.476 45.100 0.202 0.000 1.126 158 G HN 0.707 nan 8.290 nan 0.000 0.490 159 Y N 2.839 123.099 120.300 -0.067 0.000 2.812 159 Y HA 0.501 5.050 4.550 -0.000 0.000 0.354 159 Y C 1.161 176.893 175.900 -0.280 0.000 1.276 159 Y CA 0.367 58.292 58.100 -0.291 0.000 1.639 159 Y CB -0.111 37.862 38.460 -0.812 0.000 1.741 159 Y HN 0.681 nan 8.280 nan 0.000 0.479 160 G N 0.602 109.228 108.800 -0.289 0.000 3.194 160 G HA2 0.030 3.990 3.960 -0.000 0.000 0.160 160 G HA3 0.030 3.990 3.960 -0.000 0.000 0.160 160 G C 0.579 175.206 174.900 -0.457 0.000 1.267 160 G CA -0.215 44.671 45.100 -0.356 0.000 0.962 160 G HN 0.483 nan 8.290 nan 0.000 0.612 161 H N -0.295 118.593 119.070 -0.304 0.000 2.265 161 H HA -0.080 4.476 4.556 -0.000 0.000 0.295 161 H C 2.643 177.809 175.328 -0.269 0.000 1.084 161 H CA 1.976 57.839 56.048 -0.310 0.000 1.261 161 H CB -0.095 29.480 29.762 -0.312 0.000 1.360 161 H HN 0.207 nan 8.280 nan 0.000 0.487 162 I N 0.076 120.590 120.570 -0.093 0.000 2.233 162 I HA -0.123 4.046 4.170 -0.000 0.000 0.243 162 I C 2.914 178.801 176.117 -0.383 0.000 1.093 162 I CA 0.959 62.121 61.300 -0.231 0.000 1.380 162 I CB -0.603 37.239 38.000 -0.262 0.000 1.067 162 I HN 0.224 nan 8.210 nan 0.000 0.413 163 G N 1.047 109.630 108.800 -0.362 0.000 2.476 163 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 163 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 163 G C 1.766 176.434 174.900 -0.386 0.000 1.164 163 G CA 1.862 46.796 45.100 -0.277 0.000 0.768 163 G HN 0.468 nan 8.290 nan 0.000 0.560 164 T N -1.212 112.917 114.554 -0.709 0.000 2.737 164 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 164 T C 2.256 176.764 174.700 -0.320 0.000 1.038 164 T CA 1.633 63.269 62.100 -0.773 0.000 1.144 164 T CB -0.416 67.942 68.868 -0.851 0.000 0.866 164 T HN 0.415 nan 8.240 nan 0.000 0.434 165 Q N 0.445 120.092 119.800 -0.256 0.000 2.124 165 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 165 Q C 2.368 178.304 176.000 -0.107 0.000 0.977 165 Q CA 1.192 56.905 55.803 -0.150 0.000 0.850 165 Q CB -0.387 28.276 28.738 -0.125 0.000 0.901 165 Q HN 0.447 nan 8.270 nan 0.000 0.429 166 L N 0.570 121.716 121.223 -0.129 0.000 2.027 166 L HA -0.032 4.307 4.340 -0.000 0.000 0.206 166 L C 2.120 178.988 176.870 -0.002 0.000 1.074 166 L CA 2.286 57.086 54.840 -0.067 0.000 0.745 166 L CB -1.037 40.965 42.059 -0.095 0.000 0.898 166 L HN 0.131 nan 8.230 nan 0.000 0.433 167 G N -0.115 108.701 108.800 0.026 0.000 2.440 167 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 167 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 167 G C 1.639 176.570 174.900 0.053 0.000 1.154 167 G CA 1.285 46.444 45.100 0.097 0.000 0.767 167 G HN 0.499 nan 8.290 nan 0.000 0.552 168 I N 0.326 120.904 120.570 0.014 0.000 2.179 168 I HA -0.140 4.030 4.170 -0.000 0.000 0.242 168 I C 2.691 178.809 176.117 0.001 0.000 1.088 168 I CA 0.762 62.063 61.300 0.003 0.000 1.357 168 I CB -0.192 37.794 38.000 -0.023 0.000 1.051 168 I HN 0.132 nan 8.210 nan 0.000 0.409 169 L N 0.318 121.538 121.223 -0.005 0.000 2.093 169 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 169 L C 2.845 179.718 176.870 0.004 0.000 1.085 169 L CA 1.171 56.009 54.840 -0.003 0.000 0.755 169 L CB -0.784 41.272 42.059 -0.006 0.000 0.904 169 L HN 0.232 nan 8.230 nan 0.000 0.435 170 A N 0.022 122.851 122.820 0.015 0.000 1.902 170 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 170 A C 2.191 179.775 177.584 -0.001 0.000 1.181 170 A CA 1.586 53.634 52.037 0.018 0.000 0.623 170 A CB -0.424 18.602 19.000 0.045 0.000 0.818 170 A HN 0.427 nan 8.150 nan 0.000 0.443 171 E N -0.101 120.104 120.200 0.008 0.000 2.110 171 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 171 E C 2.206 178.798 176.600 -0.013 0.000 0.988 171 E CA 1.244 57.643 56.400 -0.002 0.000 0.804 171 E CB -0.151 29.560 29.700 0.018 0.000 0.745 171 E HN 0.574 nan 8.360 nan 0.000 0.458 172 S N 0.697 116.393 115.700 -0.007 0.000 2.419 172 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 172 S C 1.510 176.100 174.600 -0.016 0.000 1.016 172 S CA 0.504 58.699 58.200 -0.009 0.000 0.974 172 S CB 0.075 63.272 63.200 -0.005 0.000 0.786 172 S HN 0.184 nan 8.310 nan 0.000 0.492 173 L N 1.166 122.377 121.223 -0.021 0.000 2.612 173 L HA 0.217 4.557 4.340 -0.000 0.000 0.230 173 L C 1.336 178.173 176.870 -0.054 0.000 1.140 173 L CA 0.690 55.514 54.840 -0.026 0.000 0.896 173 L CB -1.770 40.279 42.059 -0.016 0.000 1.065 173 L HN 0.443 nan 8.230 nan 0.000 0.447 177 V N 4.199 124.118 119.914 0.008 0.000 2.398 177 V HA 0.485 4.605 4.120 -0.000 0.000 0.286 177 V C -0.922 174.995 176.094 -0.295 0.000 1.026 177 V CA -0.763 61.532 62.300 -0.009 0.000 0.868 177 V CB 0.951 32.808 31.823 0.057 0.000 0.982 177 V HN 0.562 nan 8.190 nan 0.000 0.443 178 Y N 4.774 125.147 120.300 0.121 0.000 2.512 178 Y HA 0.798 5.348 4.550 -0.000 0.000 0.348 178 Y C -0.325 175.656 175.900 0.136 0.000 0.990 178 Y CA -1.145 56.980 58.100 0.041 0.000 1.033 178 Y CB 2.179 40.638 38.460 -0.001 0.000 1.259 178 Y HN 0.674 nan 8.280 nan 0.000 0.461 179 F N 0.362 120.355 119.950 0.072 0.000 2.631 179 F HA 0.694 5.221 4.527 -0.000 0.000 0.308 179 F C -2.168 173.691 175.800 0.099 0.000 1.097 179 F CA -1.756 56.275 58.000 0.053 0.000 0.952 179 F CB 1.362 40.279 39.000 -0.138 0.000 1.307 179 F HN 0.412 nan 8.300 nan 0.000 0.450 180 Y N 2.332 122.786 120.300 0.258 0.000 2.376 180 Y HA 0.659 5.209 4.550 -0.000 0.000 0.340 180 Y C -1.649 174.416 175.900 0.276 0.000 0.965 180 Y CA -0.708 57.483 58.100 0.152 0.000 1.078 180 Y CB 1.355 39.873 38.460 0.097 0.000 1.193 180 Y HN 0.897 nan 8.280 nan 0.000 0.452 181 D N 5.592 125.697 120.400 -0.493 0.000 2.837 181 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 181 D C 0.692 176.693 176.300 -0.498 0.000 1.236 181 D CA -0.394 53.422 54.000 -0.307 0.000 0.838 181 D CB 1.675 42.524 40.800 0.082 0.000 1.647 181 D HN 0.780 nan 8.370 nan 0.000 0.486 182 I N -0.909 119.471 120.570 -0.317 0.000 2.916 182 I HA 0.087 4.257 4.170 -0.000 0.000 0.267 182 I C 0.333 176.393 176.117 -0.095 0.000 1.263 182 I CA 0.739 61.928 61.300 -0.186 0.000 1.471 182 I CB 0.003 37.976 38.000 -0.044 0.000 1.089 182 I HN 0.068 nan 8.210 nan 0.000 0.468 183 E N 2.323 122.483 120.200 -0.066 0.000 2.227 183 E HA 0.269 4.619 4.350 -0.000 0.000 0.268 183 E C -0.732 175.873 176.600 0.008 0.000 0.907 183 E CA -0.806 55.583 56.400 -0.018 0.000 0.786 183 E CB 1.742 31.442 29.700 0.001 0.000 1.191 183 E HN 0.191 nan 8.360 nan 0.000 0.411 184 N N 2.598 121.307 118.700 0.015 0.000 2.475 184 N HA 0.009 4.749 4.740 -0.000 0.000 0.267 184 N C -0.944 174.614 175.510 0.080 0.000 1.169 184 N CA 0.311 53.385 53.050 0.040 0.000 0.947 184 N CB 0.494 38.990 38.487 0.015 0.000 1.061 184 N HN 0.265 nan 8.380 nan 0.000 0.466 185 K N 2.662 123.160 120.400 0.164 0.000 2.395 185 K HA 0.326 4.646 4.320 -0.000 0.000 0.247 185 K C -0.602 176.109 176.600 0.185 0.000 0.973 185 K CA -0.967 55.418 56.287 0.164 0.000 0.828 185 K CB 1.723 34.343 32.500 0.199 0.000 1.272 185 K HN 0.405 nan 8.250 nan 0.000 0.439 186 L N 3.051 124.350 121.223 0.127 0.000 2.319 186 L HA 0.304 4.644 4.340 -0.000 0.000 0.280 186 L C -2.446 174.529 176.870 0.175 0.000 1.099 186 L CA -1.195 53.712 54.840 0.113 0.000 0.828 186 L CB 0.320 42.413 42.059 0.056 0.000 1.150 186 L HN 0.341 nan 8.230 nan 0.000 0.442 187 P HA 0.278 nan 4.420 nan 0.000 0.275 187 P C -1.043 176.347 177.300 0.150 0.000 1.227 187 P CA -0.200 63.014 63.100 0.189 0.000 0.781 187 P CB 0.723 32.514 31.700 0.152 0.000 0.906 188 L N 2.026 123.369 121.223 0.199 0.000 2.322 188 L HA 0.554 4.894 4.340 -0.000 0.000 0.279 188 L C 1.383 178.306 176.870 0.088 0.000 1.036 188 L CA -0.221 54.684 54.840 0.108 0.000 0.807 188 L CB 0.793 42.895 42.059 0.073 0.000 1.226 188 L HN 0.700 nan 8.230 nan 0.000 0.433 189 G N 2.705 111.533 108.800 0.047 0.000 2.582 189 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.288 189 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.288 189 G C 0.415 175.331 174.900 0.027 0.000 1.247 189 G CA 0.263 45.383 45.100 0.034 0.000 0.972 189 G HN 0.717 nan 8.290 nan 0.000 0.557 190 N N 2.010 120.721 118.700 0.018 0.000 2.313 190 N HA 0.461 5.201 4.740 -0.000 0.000 0.207 190 N C 0.952 176.430 175.510 -0.053 0.000 1.141 190 N CA 0.845 53.889 53.050 -0.009 0.000 0.830 190 N CB 0.063 38.553 38.487 0.005 0.000 1.008 190 N HN 0.959 nan 8.380 nan 0.000 0.481 191 A N 0.057 122.869 122.820 -0.014 0.000 2.466 191 A HA 0.396 4.716 4.320 -0.000 0.000 0.238 191 A C 0.320 177.838 177.584 -0.110 0.000 1.074 191 A CA 0.347 52.360 52.037 -0.040 0.000 0.774 191 A CB 0.281 19.337 19.000 0.094 0.000 1.015 191 A HN 0.140 nan 8.150 nan 0.000 0.498 192 T N 1.852 116.244 114.554 -0.270 0.000 2.841 192 T HA 0.399 4.749 4.350 -0.000 0.000 0.285 192 T C -0.339 173.981 174.700 -0.633 0.000 0.991 192 T CA -0.294 61.601 62.100 -0.342 0.000 0.966 192 T CB 1.236 69.914 68.868 -0.317 0.000 0.962 192 T HN 0.742 nan 8.240 nan 0.000 0.438 193 Q N 2.762 122.035 119.800 -0.878 0.000 2.286 193 Q HA 0.487 4.827 4.340 -0.000 0.000 0.257 193 Q C -1.056 174.619 176.000 -0.542 0.000 0.941 193 Q CA -0.389 54.614 55.803 -1.334 0.000 0.912 193 Q CB 0.605 28.724 28.738 -1.032 0.000 1.192 193 Q HN 0.452 nan 8.270 nan 0.000 0.410 194 V N 5.146 124.831 119.914 -0.381 0.000 2.370 194 V HA 0.078 4.197 4.120 -0.000 0.000 0.283 194 V C 0.623 176.691 176.094 -0.042 0.000 1.023 194 V CA -0.619 61.608 62.300 -0.121 0.000 0.857 194 V CB 1.512 33.329 31.823 -0.010 0.000 0.985 194 V HN 0.908 nan 8.190 nan 0.000 0.443 195 Q N 1.994 121.727 119.800 -0.112 0.000 2.167 195 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 195 Q C 0.282 176.261 176.000 -0.036 0.000 0.970 195 Q CA 1.301 57.014 55.803 -0.151 0.000 0.855 195 Q CB 0.027 28.550 28.738 -0.358 0.000 0.911 195 Q HN 0.808 nan 8.270 nan 0.000 0.438 196 H N 0.015 119.151 119.070 0.110 0.000 2.476 196 H HA 0.166 4.722 4.556 -0.000 0.000 0.328 196 H C 1.010 176.262 175.328 -0.127 0.000 1.073 196 H CA -0.553 55.512 56.048 0.029 0.000 1.229 196 H CB 1.882 31.635 29.762 -0.014 0.000 1.432 196 H HN -0.037 nan 8.280 nan 0.000 0.477 197 L N 2.110 123.140 121.223 -0.322 0.000 2.043 197 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 197 L C 2.114 178.841 176.870 -0.237 0.000 1.075 197 L CA 2.154 56.628 54.840 -0.610 0.000 0.752 197 L CB -0.405 41.144 42.059 -0.851 0.000 0.891 197 L HN 0.707 nan 8.230 nan 0.000 0.432 198 S N -1.193 114.421 115.700 -0.143 0.000 2.400 198 S HA -0.211 4.259 4.470 -0.000 0.000 0.232 198 S C 1.517 176.078 174.600 -0.065 0.000 1.025 198 S CA 1.359 59.503 58.200 -0.093 0.000 0.993 198 S CB -0.455 62.694 63.200 -0.086 0.000 0.808 198 S HN 0.451 nan 8.310 nan 0.000 0.478 199 D N 1.460 121.840 120.400 -0.034 0.000 2.117 199 D HA 0.023 4.663 4.640 -0.000 0.000 0.198 199 D C 1.889 178.146 176.300 -0.071 0.000 0.982 199 D CA 0.882 54.861 54.000 -0.035 0.000 0.828 199 D CB -0.488 40.319 40.800 0.011 0.000 0.967 199 D HN 0.402 nan 8.370 nan 0.000 0.464 200 L N 0.368 121.554 121.223 -0.061 0.000 2.017 200 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 200 L C 1.987 178.821 176.870 -0.060 0.000 1.073 200 L CA 1.131 55.940 54.840 -0.052 0.000 0.745 200 L CB -0.228 41.836 42.059 0.008 0.000 0.894 200 L HN -0.038 nan 8.230 nan 0.000 0.432 201 L N -0.184 121.001 121.223 -0.063 0.000 2.042 201 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 201 L C 1.357 178.196 176.870 -0.051 0.000 1.076 201 L CA 1.100 55.910 54.840 -0.050 0.000 0.749 201 L CB -1.832 40.196 42.059 -0.051 0.000 0.893 201 L HN 0.426 nan 8.230 nan 0.000 0.432 205 D N 0.765 121.145 120.400 -0.034 0.000 2.240 205 D HA 0.108 4.747 4.640 -0.000 0.000 0.206 205 D C 0.299 176.573 176.300 -0.044 0.000 0.963 205 D CA 1.141 55.102 54.000 -0.066 0.000 0.863 205 D CB 0.522 41.278 40.800 -0.073 0.000 0.973 205 D HN 0.253 nan 8.370 nan 0.000 0.501 206 V N 1.342 121.254 119.914 -0.002 0.000 2.686 206 V HA 0.294 4.414 4.120 -0.000 0.000 0.306 206 V C -0.341 175.775 176.094 0.037 0.000 1.065 206 V CA -0.790 61.519 62.300 0.014 0.000 0.894 206 V CB 2.901 34.745 31.823 0.035 0.000 1.004 206 V HN -0.276 nan 8.190 nan 0.000 0.424 207 V N 3.095 123.024 119.914 0.024 0.000 2.487 207 V HA 0.632 4.752 4.120 -0.000 0.000 0.298 207 V C -0.082 176.032 176.094 0.033 0.000 1.028 207 V CA -0.244 62.080 62.300 0.039 0.000 0.860 207 V CB 1.974 33.805 31.823 0.014 0.000 0.991 207 V HN 0.857 nan 8.190 nan 0.000 0.427 208 S N 5.138 120.875 115.700 0.061 0.000 2.502 208 S HA 0.755 5.225 4.470 -0.000 0.000 0.304 208 S C -0.872 173.663 174.600 -0.107 0.000 1.097 208 S CA -0.515 57.682 58.200 -0.005 0.000 1.045 208 S CB 0.904 64.182 63.200 0.131 0.000 1.019 208 S HN 0.562 nan 8.310 nan 0.000 0.481 209 L N 5.408 126.457 121.223 -0.291 0.000 2.289 209 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 209 L C -0.089 176.428 176.870 -0.590 0.000 1.049 209 L CA -0.433 54.249 54.840 -0.263 0.000 0.804 209 L CB 0.849 42.833 42.059 -0.126 0.000 1.195 209 L HN 0.702 nan 8.230 nan 0.000 0.428 210 H N 3.417 122.536 119.070 0.082 0.000 2.823 210 H HA 0.292 4.848 4.556 -0.000 0.000 0.222 210 H C -0.836 174.537 175.328 0.075 0.000 1.414 210 H CA -0.171 55.919 56.048 0.069 0.000 1.289 210 H CB 0.844 30.642 29.762 0.060 0.000 1.970 210 H HN 0.364 nan 8.280 nan 0.000 0.517 211 V N -0.756 119.232 119.914 0.123 0.000 2.919 211 V HA 0.718 4.838 4.120 -0.000 0.000 0.316 211 V C -2.077 174.071 176.094 0.090 0.000 1.077 211 V CA -2.029 60.338 62.300 0.112 0.000 0.977 211 V CB 2.351 34.235 31.823 0.103 0.000 1.039 211 V HN 0.093 nan 8.190 nan 0.000 0.441 212 P HA 0.371 nan 4.420 nan 0.000 0.279 212 P C -0.882 176.448 177.300 0.049 0.000 1.282 212 P CA -0.302 62.841 63.100 0.070 0.000 0.788 212 P CB 0.716 32.462 31.700 0.077 0.000 1.139 213 E N 1.247 121.468 120.200 0.034 0.000 2.046 213 E HA 0.256 4.605 4.350 -0.000 0.000 0.279 213 E C -0.155 176.460 176.600 0.025 0.000 0.989 213 E CA -0.108 56.305 56.400 0.021 0.000 0.798 213 E CB 0.310 30.012 29.700 0.005 0.000 1.086 213 E HN 0.513 nan 8.360 nan 0.000 0.399 214 N N 1.290 120.008 118.700 0.030 0.000 3.020 214 N HA 0.307 5.047 4.740 -0.000 0.000 0.248 214 N C -2.506 173.023 175.510 0.033 0.000 1.480 214 N CA -1.172 51.897 53.050 0.031 0.000 0.874 214 N CB 1.132 39.641 38.487 0.038 0.000 1.433 214 N HN -0.119 nan 8.380 nan 0.000 0.530 215 P HA -0.250 nan 4.420 nan 0.000 0.217 215 P C 1.118 178.442 177.300 0.040 0.000 1.148 215 P CA 1.672 64.792 63.100 0.033 0.000 0.834 215 P CB 0.136 31.854 31.700 0.031 0.000 0.783 216 S N -0.471 115.257 115.700 0.046 0.000 2.419 216 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 216 S C 1.772 176.411 174.600 0.065 0.000 1.016 216 S CA 2.084 60.318 58.200 0.058 0.000 0.974 216 S CB -0.985 62.253 63.200 0.063 0.000 0.786 216 S HN 0.433 nan 8.310 nan 0.000 0.492 217 T N -1.880 112.708 114.554 0.057 0.000 3.010 217 T HA 0.301 4.651 4.350 -0.000 0.000 0.257 217 T C 0.483 175.207 174.700 0.041 0.000 1.020 217 T CA -0.343 61.791 62.100 0.057 0.000 0.938 217 T CB -0.276 68.627 68.868 0.059 0.000 1.049 217 T HN 0.295 nan 8.240 nan 0.000 0.522 218 K N 2.738 123.158 120.400 0.034 0.000 2.437 218 K HA -0.037 4.283 4.320 -0.000 0.000 0.277 218 K C -0.073 176.543 176.600 0.027 0.000 1.073 218 K CA 0.031 56.334 56.287 0.027 0.000 1.105 218 K CB -0.196 32.320 32.500 0.027 0.000 0.881 218 K HN 0.343 nan 8.250 nan 0.000 0.475 223 A N -0.090 122.735 122.820 0.008 0.000 1.917 223 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 223 A C 2.172 179.754 177.584 -0.003 0.000 1.182 223 A CA 2.653 54.693 52.037 0.004 0.000 0.633 223 A CB -0.588 18.413 19.000 0.001 0.000 0.819 223 A HN 0.731 nan 8.150 nan 0.000 0.448 224 K N -0.514 119.881 120.400 -0.008 0.000 2.002 224 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 224 K C 1.900 178.492 176.600 -0.013 0.000 1.048 224 K CA 1.857 58.134 56.287 -0.017 0.000 0.930 224 K CB -0.207 32.281 32.500 -0.019 0.000 0.714 224 K HN 0.382 nan 8.250 nan 0.000 0.438 225 E N 1.065 121.258 120.200 -0.011 0.000 2.058 225 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 225 E C 1.945 178.551 176.600 0.009 0.000 0.997 225 E CA 1.517 57.908 56.400 -0.014 0.000 0.801 225 E CB -0.226 29.462 29.700 -0.020 0.000 0.746 225 E HN 0.386 nan 8.360 nan 0.000 0.450 226 I N 0.309 120.893 120.570 0.023 0.000 2.335 226 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 226 I C 2.375 178.574 176.117 0.137 0.000 1.129 226 I CA 1.131 62.467 61.300 0.061 0.000 1.402 226 I CB -0.270 37.762 38.000 0.055 0.000 1.069 226 I HN 0.086 nan 8.210 nan 0.000 0.424 227 S N 0.371 116.105 115.700 0.058 0.000 2.402 227 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 227 S C 1.098 175.730 174.600 0.053 0.000 1.021 227 S CA 0.576 58.770 58.200 -0.010 0.000 0.974 227 S CB -0.110 63.050 63.200 -0.067 0.000 0.800 227 S HN 0.042 nan 8.310 nan 0.000 0.484 231 P HA 0.105 nan 4.420 nan 0.000 0.267 231 P C 0.189 177.408 177.300 -0.134 0.000 1.209 231 P CA 1.323 64.384 63.100 -0.065 0.000 0.763 231 P CB 0.660 32.407 31.700 0.079 0.000 0.816 232 G N 1.914 110.609 108.800 -0.174 0.000 2.143 232 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.249 232 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.249 232 G C 0.416 175.233 174.900 -0.138 0.000 0.981 232 G CA 0.263 45.297 45.100 -0.109 0.000 0.665 232 G HN 0.728 nan 8.290 nan 0.000 0.528 233 S N -0.806 114.776 115.700 -0.198 0.000 2.661 233 S HA 0.829 5.299 4.470 -0.000 0.000 0.265 233 S C 0.181 174.713 174.600 -0.114 0.000 1.225 233 S CA -0.693 57.415 58.200 -0.153 0.000 0.986 233 S CB 1.787 64.891 63.200 -0.160 0.000 1.008 233 S HN 0.724 nan 8.310 nan 0.000 0.565 234 L N 0.619 121.798 121.223 -0.074 0.000 2.362 234 L HA 0.617 4.956 4.340 -0.000 0.000 0.271 234 L C -1.134 175.712 176.870 -0.041 0.000 1.002 234 L CA -0.988 53.823 54.840 -0.047 0.000 0.818 234 L CB 1.749 43.800 42.059 -0.013 0.000 1.298 234 L HN 0.576 nan 8.230 nan 0.000 0.420 235 L N 4.084 125.282 121.223 -0.041 0.000 2.333 235 L HA 0.635 4.974 4.340 -0.000 0.000 0.280 235 L C -0.885 175.971 176.870 -0.024 0.000 1.004 235 L CA 0.039 54.859 54.840 -0.033 0.000 0.820 235 L CB 1.365 43.400 42.059 -0.041 0.000 1.247 235 L HN 0.383 nan 8.230 nan 0.000 0.416 236 I N 4.669 125.227 120.570 -0.021 0.000 2.465 236 I HA 0.395 4.565 4.170 -0.000 0.000 0.291 236 I C -0.325 175.754 176.117 -0.063 0.000 1.014 236 I CA -0.437 60.850 61.300 -0.023 0.000 1.093 236 I CB 1.847 39.850 38.000 0.006 0.000 1.267 236 I HN 0.672 nan 8.210 nan 0.000 0.431 237 N N 4.320 122.986 118.700 -0.056 0.000 2.752 237 N HA 0.336 5.076 4.740 -0.000 0.000 0.260 237 N C 0.602 176.084 175.510 -0.046 0.000 1.562 237 N CA -0.008 52.992 53.050 -0.083 0.000 0.788 237 N CB 1.087 39.541 38.487 -0.054 0.000 1.192 237 N HN 0.793 nan 8.380 nan 0.000 0.503 238 A N 0.545 123.347 122.820 -0.030 0.000 2.015 238 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 238 A C 1.069 178.677 177.584 0.040 0.000 1.163 238 A CA 0.986 53.042 52.037 0.033 0.000 0.646 238 A CB 0.060 19.118 19.000 0.098 0.000 0.806 238 A HN 0.401 nan 8.150 nan 0.000 0.448 239 S N -0.251 115.470 115.700 0.034 0.000 2.438 239 S HA 0.406 4.876 4.470 -0.000 0.000 0.316 239 S C 0.169 174.771 174.600 0.002 0.000 1.084 239 S CA -0.772 57.451 58.200 0.038 0.000 1.107 239 S CB 0.328 63.577 63.200 0.082 0.000 0.981 239 S HN 0.532 nan 8.310 nan 0.000 0.466 240 R N 3.235 123.730 120.500 -0.009 0.000 2.583 240 R HA 0.365 4.705 4.340 -0.000 0.000 0.274 240 R C 0.572 176.844 176.300 -0.047 0.000 0.998 240 R CA 1.037 57.115 56.100 -0.036 0.000 1.081 240 R CB -0.117 30.159 30.300 -0.041 0.000 0.940 240 R HN 0.801 nan 8.270 nan 0.000 0.413 241 G N 0.472 109.230 108.800 -0.071 0.000 2.562 241 G HA2 0.087 4.047 3.960 -0.000 0.000 0.190 241 G HA3 0.087 4.047 3.960 -0.000 0.000 0.190 241 G C -0.606 174.232 174.900 -0.104 0.000 1.196 241 G CA 0.110 45.165 45.100 -0.074 0.000 0.986 241 G HN 0.527 nan 8.290 nan 0.000 0.512 242 T N -1.565 112.946 114.554 -0.071 0.000 3.460 242 T HA 0.380 4.730 4.350 -0.000 0.000 0.304 242 T C 1.124 175.812 174.700 -0.020 0.000 0.991 242 T CA 0.667 62.731 62.100 -0.060 0.000 0.975 242 T CB 0.596 69.433 68.868 -0.053 0.000 1.196 242 T HN 0.451 nan 8.240 nan 0.000 0.490 243 V N 0.787 120.692 119.914 -0.016 0.000 2.871 243 V HA 0.161 4.281 4.120 -0.000 0.000 0.256 243 V C 0.992 177.087 176.094 0.003 0.000 1.082 243 V CA 0.574 62.875 62.300 0.001 0.000 1.105 243 V CB -0.003 31.821 31.823 0.002 0.000 0.713 243 V HN 0.554 nan 8.190 nan 0.000 0.473 244 V N 0.827 120.739 119.914 -0.003 0.000 2.459 244 V HA 0.327 4.447 4.120 -0.000 0.000 0.295 244 V C -0.227 175.877 176.094 0.017 0.000 1.029 244 V CA -0.821 61.482 62.300 0.004 0.000 0.874 244 V CB 1.802 33.623 31.823 -0.003 0.000 0.985 244 V HN 0.258 nan 8.190 nan 0.000 0.438 245 D N 4.717 125.131 120.400 0.023 0.000 2.383 245 D HA 0.072 4.712 4.640 -0.000 0.000 0.245 245 D C 1.224 177.551 176.300 0.044 0.000 1.263 245 D CA -0.275 53.747 54.000 0.037 0.000 0.936 245 D CB 0.800 41.619 40.800 0.031 0.000 1.053 245 D HN 0.321 nan 8.370 nan 0.000 0.507 246 I N 5.396 126.004 120.570 0.063 0.000 2.151 246 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 246 I C -0.671 175.490 176.117 0.074 0.000 1.080 246 I CA 1.082 62.427 61.300 0.074 0.000 1.339 246 I CB -2.287 35.782 38.000 0.114 0.000 1.039 246 I HN 0.392 nan 8.210 nan 0.000 0.409 247 P HA -0.102 nan 4.420 nan 0.000 0.215 247 P C 1.737 179.071 177.300 0.056 0.000 1.153 247 P CA 1.992 65.133 63.100 0.069 0.000 0.853 247 P CB 0.011 31.745 31.700 0.058 0.000 0.788 248 A N -0.627 122.218 122.820 0.041 0.000 1.930 248 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 248 A C 2.092 179.688 177.584 0.019 0.000 1.175 248 A CA 1.350 53.405 52.037 0.029 0.000 0.627 248 A CB -1.638 17.375 19.000 0.023 0.000 0.815 248 A HN 0.155 nan 8.150 nan 0.000 0.443 249 L N -0.096 121.135 121.223 0.014 0.000 2.046 249 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 249 L C 2.579 179.413 176.870 -0.060 0.000 1.077 249 L CA 2.212 57.040 54.840 -0.019 0.000 0.747 249 L CB -0.966 41.084 42.059 -0.014 0.000 0.896 249 L HN 0.327 nan 8.230 nan 0.000 0.432 250 A N -0.731 122.090 122.820 0.001 0.000 1.902 250 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 250 A C 1.980 179.582 177.584 0.030 0.000 1.181 250 A CA 1.821 53.882 52.037 0.040 0.000 0.623 250 A CB -0.810 18.327 19.000 0.229 0.000 0.818 250 A HN 0.550 nan 8.150 nan 0.000 0.443 251 D N 0.191 120.619 120.400 0.047 0.000 2.117 251 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 251 D C 2.162 178.472 176.300 0.016 0.000 0.987 251 D CA 1.542 55.572 54.000 0.050 0.000 0.829 251 D CB -0.455 40.369 40.800 0.040 0.000 0.961 251 D HN 0.438 nan 8.370 nan 0.000 0.460 252 A N 0.331 123.147 122.820 -0.006 0.000 2.015 252 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 252 A C 2.327 179.881 177.584 -0.049 0.000 1.163 252 A CA 0.702 52.750 52.037 0.019 0.000 0.646 252 A CB -0.494 18.539 19.000 0.055 0.000 0.806 252 A HN 0.185 nan 8.150 nan 0.000 0.448 253 L N -1.289 119.811 121.223 -0.205 0.000 2.127 253 L HA -0.027 4.313 4.340 -0.000 0.000 0.203 253 L C 3.023 179.754 176.870 -0.232 0.000 1.080 253 L CA 0.822 55.427 54.840 -0.391 0.000 0.768 253 L CB -0.438 41.037 42.059 -0.973 0.000 0.924 253 L HN 0.377 nan 8.230 nan 0.000 0.444 254 A N 0.128 122.906 122.820 -0.069 0.000 1.933 254 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 254 A C 2.462 180.113 177.584 0.111 0.000 1.175 254 A CA 1.917 54.078 52.037 0.206 0.000 0.628 254 A CB -0.608 18.558 19.000 0.277 0.000 0.814 254 A HN 0.490 nan 8.150 nan 0.000 0.444 255 S N -1.677 114.061 115.700 0.064 0.000 2.522 255 S HA 0.029 4.499 4.470 -0.000 0.000 0.227 255 S C 0.895 175.534 174.600 0.065 0.000 0.986 255 S CA 0.946 59.182 58.200 0.060 0.000 0.929 255 S CB -0.250 62.978 63.200 0.047 0.000 0.769 255 S HN 0.554 nan 8.310 nan 0.000 0.529 256 K N -1.002 119.428 120.400 0.050 0.000 3.512 256 K HA -0.270 4.050 4.320 -0.000 0.000 0.309 256 K C 0.704 177.345 176.600 0.067 0.000 1.350 256 K CA 1.022 57.336 56.287 0.045 0.000 0.960 256 K CB -2.086 30.448 32.500 0.056 0.000 1.290 256 K HN 0.620 nan 8.250 nan 0.000 0.454 257 H N 0.766 119.822 119.070 -0.023 0.000 2.352 257 H HA 0.057 4.613 4.556 -0.000 0.000 0.299 257 H C 0.450 175.759 175.328 -0.032 0.000 1.097 257 H CA 1.685 57.718 56.048 -0.024 0.000 1.311 257 H CB 0.235 29.980 29.762 -0.028 0.000 1.377 257 H HN 0.191 nan 8.280 nan 0.000 0.504 258 L N 0.326 121.478 121.223 -0.119 0.000 2.295 258 L HA 0.373 4.712 4.340 -0.000 0.000 0.285 258 L C 1.121 177.930 176.870 -0.101 0.000 1.035 258 L CA -0.165 54.570 54.840 -0.175 0.000 0.806 258 L CB 1.726 43.697 42.059 -0.147 0.000 1.214 258 L HN 0.183 nan 8.230 nan 0.000 0.426 259 A N 2.587 125.363 122.820 -0.075 0.000 2.208 259 A HA 0.522 4.842 4.320 -0.000 0.000 0.209 259 A C 0.833 178.408 177.584 -0.014 0.000 1.161 259 A CA 0.734 52.762 52.037 -0.015 0.000 0.782 259 A CB -0.086 18.936 19.000 0.037 0.000 0.816 259 A HN 0.903 nan 8.150 nan 0.000 0.477 260 G N -3.105 105.667 108.800 -0.047 0.000 2.313 260 G HA2 0.642 4.601 3.960 -0.000 0.000 0.296 260 G HA3 0.642 4.601 3.960 -0.000 0.000 0.296 260 G C -1.115 173.755 174.900 -0.049 0.000 1.356 260 G CA 0.053 45.130 45.100 -0.038 0.000 0.833 260 G HN 1.447 nan 8.290 nan 0.000 0.552 261 A N -1.535 121.267 122.820 -0.031 0.000 2.566 261 A HA 1.055 5.375 4.320 -0.000 0.000 0.290 261 A C -0.846 176.737 177.584 -0.001 0.000 1.071 261 A CA 0.324 52.346 52.037 -0.025 0.000 0.658 261 A CB 1.014 19.985 19.000 -0.048 0.000 1.285 261 A HN 2.604 nan 8.150 nan 0.000 0.427 262 A N 0.931 123.752 122.820 0.002 0.000 2.375 262 A HA 0.710 5.030 4.320 -0.000 0.000 0.295 262 A C -1.185 176.404 177.584 0.009 0.000 1.066 262 A CA -0.297 51.748 52.037 0.014 0.000 0.722 262 A CB 0.689 19.701 19.000 0.020 0.000 1.206 262 A HN 0.869 nan 8.150 nan 0.000 0.435 263 I N 1.854 122.433 120.570 0.016 0.000 2.533 263 I HA 0.285 4.455 4.170 -0.000 0.000 0.290 263 I C -0.701 175.425 176.117 0.015 0.000 1.056 263 I CA -0.498 60.809 61.300 0.011 0.000 1.057 263 I CB 1.857 39.868 38.000 0.019 0.000 1.240 263 I HN 0.768 nan 8.210 nan 0.000 0.423 264 D N 4.924 125.328 120.400 0.006 0.000 2.390 264 D HA 0.375 5.015 4.640 -0.000 0.000 0.249 264 D C -0.089 176.213 176.300 0.003 0.000 1.144 264 D CA 0.059 54.063 54.000 0.007 0.000 0.880 264 D CB 1.151 41.953 40.800 0.002 0.000 1.182 264 D HN 0.385 nan 8.370 nan 0.000 0.451 277 F N -0.968 118.993 119.950 0.020 0.000 2.768 277 F HA -0.082 4.445 4.527 -0.000 0.000 0.445 277 F C 1.346 177.164 175.800 0.029 0.000 0.914 277 F CA 0.637 58.651 58.000 0.022 0.000 0.719 277 F CB 0.314 39.325 39.000 0.019 0.000 1.495 277 F HN 0.384 nan 8.300 nan 0.000 0.513 278 T N -3.254 111.439 114.554 0.231 0.000 3.054 278 T HA 0.170 4.520 4.350 -0.000 0.000 0.255 278 T C 1.533 176.305 174.700 0.120 0.000 1.035 278 T CA 0.810 63.002 62.100 0.154 0.000 0.941 278 T CB 0.373 69.311 68.868 0.117 0.000 1.026 278 T HN 0.002 nan 8.240 nan 0.000 0.533 279 S N 3.134 118.893 115.700 0.099 0.000 2.392 279 S HA -0.042 4.428 4.470 -0.000 0.000 0.232 279 S C -0.643 173.994 174.600 0.061 0.000 1.041 279 S CA 1.504 59.739 58.200 0.059 0.000 1.026 279 S CB -1.266 61.950 63.200 0.027 0.000 0.845 279 S HN 0.496 nan 8.310 nan 0.000 0.465 280 P HA -0.009 nan 4.420 nan 0.000 0.223 280 P C 0.843 178.255 177.300 0.187 0.000 1.144 280 P CA 0.857 64.021 63.100 0.107 0.000 0.783 280 P CB -0.068 31.708 31.700 0.127 0.000 0.771 281 L N -2.319 119.027 121.223 0.206 0.000 2.529 281 L HA 0.186 4.526 4.340 -0.000 0.000 0.223 281 L C 2.254 179.255 176.870 0.219 0.000 1.113 281 L CA 0.365 55.409 54.840 0.339 0.000 0.861 281 L CB -0.797 41.402 42.059 0.233 0.000 1.012 281 L HN -0.090 nan 8.230 nan 0.000 0.461 282 A N 1.653 124.523 122.820 0.083 0.000 1.986 282 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 282 A C 2.195 179.756 177.584 -0.038 0.000 1.171 282 A CA 2.039 54.092 52.037 0.027 0.000 0.640 282 A CB -0.426 18.577 19.000 0.005 0.000 0.811 282 A HN 0.662 nan 8.150 nan 0.000 0.451 283 E N -1.543 118.552 120.200 -0.175 0.000 2.347 283 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 283 E C -0.493 175.905 176.600 -0.336 0.000 1.008 283 E CA 0.017 56.230 56.400 -0.312 0.000 0.852 283 E CB -0.276 29.131 29.700 -0.488 0.000 0.783 283 E HN 0.495 nan 8.360 nan 0.000 0.505 284 F N 2.282 122.243 119.950 0.017 0.000 2.390 284 F HA 0.183 4.710 4.527 -0.000 0.000 0.361 284 F C 0.778 176.588 175.800 0.017 0.000 1.124 284 F CA -0.879 57.132 58.000 0.018 0.000 1.149 284 F CB 1.122 40.135 39.000 0.021 0.000 1.160 284 F HN -0.174 nan 8.300 nan 0.000 0.501 285 D N 1.275 121.781 120.400 0.178 0.000 2.264 285 D HA -0.160 4.480 4.640 -0.000 0.000 0.208 285 D C 1.392 177.757 176.300 0.109 0.000 0.966 285 D CA 1.123 55.189 54.000 0.109 0.000 0.864 285 D CB -0.188 40.659 40.800 0.079 0.000 0.933 285 D HN 0.670 nan 8.370 nan 0.000 0.499 286 N N -0.273 118.509 118.700 0.136 0.000 2.313 286 N HA 0.069 4.809 4.740 -0.000 0.000 0.207 286 N C -0.530 175.018 175.510 0.063 0.000 1.141 286 N CA -0.191 52.909 53.050 0.084 0.000 0.830 286 N CB 0.641 39.167 38.487 0.065 0.000 1.008 286 N HN -0.186 nan 8.380 nan 0.000 0.481 287 V N 1.478 121.447 119.914 0.092 0.000 2.540 287 V HA 0.323 4.443 4.120 -0.000 0.000 0.302 287 V C -0.195 175.936 176.094 0.062 0.000 1.035 287 V CA -0.812 61.529 62.300 0.067 0.000 0.873 287 V CB 2.101 33.983 31.823 0.099 0.000 0.992 287 V HN 0.241 nan 8.190 nan 0.000 0.428 288 L N 5.492 126.741 121.223 0.042 0.000 2.275 288 L HA 0.466 4.806 4.340 -0.000 0.000 0.288 288 L C -1.012 175.880 176.870 0.036 0.000 1.046 288 L CA -0.586 54.276 54.840 0.036 0.000 0.805 288 L CB 1.306 43.383 42.059 0.030 0.000 1.193 288 L HN 0.348 nan 8.230 nan 0.000 0.426 289 L N 3.679 124.924 121.223 0.036 0.000 2.298 289 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 289 L C 0.284 177.171 176.870 0.027 0.000 1.013 289 L CA -0.204 54.657 54.840 0.036 0.000 0.824 289 L CB 1.500 43.585 42.059 0.043 0.000 1.221 289 L HN 0.587 nan 8.230 nan 0.000 0.418 290 T N 1.928 116.497 114.554 0.025 0.000 2.863 290 T HA 0.782 5.132 4.350 -0.000 0.000 0.285 290 T C -2.616 172.096 174.700 0.020 0.000 1.009 290 T CA -2.105 60.008 62.100 0.022 0.000 0.989 290 T CB 2.169 71.050 68.868 0.023 0.000 1.004 290 T HN 0.172 nan 8.240 nan 0.000 0.455 297 T N -1.381 113.196 114.554 0.039 0.000 3.918 297 T HA 0.238 4.588 4.350 -0.000 0.000 0.318 297 T C 0.086 174.812 174.700 0.043 0.000 0.885 297 T CA -0.144 61.981 62.100 0.041 0.000 0.947 297 T CB -0.038 68.849 68.868 0.031 0.000 1.170 297 T HN 0.500 nan 8.240 nan 0.000 0.612 298 Q N 0.823 120.651 119.800 0.046 0.000 3.164 298 Q HA 0.605 4.945 4.340 -0.000 0.000 0.347 298 Q C 0.025 176.057 176.000 0.053 0.000 0.880 298 Q CA -0.590 55.239 55.803 0.044 0.000 0.809 298 Q CB 0.203 28.960 28.738 0.031 0.000 2.267 298 Q HN -0.066 nan 8.270 nan 0.000 0.363 299 E N 0.689 120.912 120.200 0.038 0.000 2.463 299 E HA -0.026 4.324 4.350 -0.000 0.000 0.201 299 E C 1.516 178.123 176.600 0.012 0.000 1.045 299 E CA 1.179 57.596 56.400 0.029 0.000 0.872 299 E CB -0.310 29.399 29.700 0.014 0.000 0.797 299 E HN 0.545 nan 8.360 nan 0.000 0.538 300 A N 0.681 123.513 122.820 0.021 0.000 1.969 300 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 300 A C 1.898 179.493 177.584 0.019 0.000 1.169 300 A CA 0.959 53.003 52.037 0.012 0.000 0.635 300 A CB -0.191 18.820 19.000 0.017 0.000 0.810 300 A HN 0.096 nan 8.150 nan 0.000 0.445 301 Q N -0.197 119.639 119.800 0.059 0.000 2.112 301 Q HA -0.247 4.093 4.340 -0.000 0.000 0.206 301 Q C 1.933 177.948 176.000 0.025 0.000 0.987 301 Q CA 1.929 57.800 55.803 0.113 0.000 0.858 301 Q CB -0.449 28.414 28.738 0.208 0.000 0.905 301 Q HN 0.920 nan 8.270 nan 0.000 0.420 302 E N 0.473 120.567 120.200 -0.177 0.000 2.031 302 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 302 E C 1.673 178.136 176.600 -0.228 0.000 0.994 302 E CA 0.901 56.980 56.400 -0.536 0.000 0.800 302 E CB 0.117 29.493 29.700 -0.540 0.000 0.752 302 E HN 0.331 nan 8.360 nan 0.000 0.447 303 N N 0.726 119.351 118.700 -0.126 0.000 2.104 303 N HA -0.170 4.569 4.740 -0.000 0.000 0.190 303 N C 2.130 177.603 175.510 -0.061 0.000 1.024 303 N CA 1.319 54.322 53.050 -0.079 0.000 0.853 303 N CB -0.282 38.175 38.487 -0.052 0.000 1.008 303 N HN 0.295 nan 8.380 nan 0.000 0.424 304 I N 1.023 121.572 120.570 -0.033 0.000 2.179 304 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 304 I C 2.574 178.685 176.117 -0.010 0.000 1.088 304 I CA 1.285 62.568 61.300 -0.029 0.000 1.357 304 I CB -0.726 37.295 38.000 0.036 0.000 1.051 304 I HN 0.142 nan 8.210 nan 0.000 0.409 305 G N 1.021 109.896 108.800 0.124 0.000 2.446 305 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 305 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 305 G C 1.560 176.525 174.900 0.107 0.000 1.168 305 G CA 0.583 45.847 45.100 0.274 0.000 0.771 305 G HN 0.138 nan 8.290 nan 0.000 0.551 306 L N 0.643 121.862 121.223 -0.005 0.000 2.027 306 L HA 0.038 4.378 4.340 -0.000 0.000 0.206 306 L C 2.629 179.451 176.870 -0.080 0.000 1.074 306 L CA 1.951 56.766 54.840 -0.041 0.000 0.745 306 L CB -0.996 41.026 42.059 -0.061 0.000 0.898 306 L HN 0.463 nan 8.230 nan 0.000 0.433 307 E N -0.747 119.389 120.200 -0.106 0.000 2.031 307 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 307 E C 2.101 178.565 176.600 -0.227 0.000 0.994 307 E CA 1.696 58.015 56.400 -0.135 0.000 0.800 307 E CB 0.089 29.718 29.700 -0.117 0.000 0.752 307 E HN 0.252 nan 8.360 nan 0.000 0.447 308 V N 1.126 120.815 119.914 -0.376 0.000 2.453 308 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 308 V C 2.431 178.259 176.094 -0.445 0.000 1.048 308 V CA 1.550 63.494 62.300 -0.593 0.000 1.049 308 V CB -0.661 30.395 31.823 -1.278 0.000 0.672 308 V HN 0.427 nan 8.190 nan 0.000 0.457 309 A N 0.874 123.551 122.820 -0.238 0.000 1.933 309 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 309 A C 2.421 179.924 177.584 -0.135 0.000 1.175 309 A CA 1.896 53.914 52.037 -0.031 0.000 0.628 309 A CB -1.191 17.851 19.000 0.069 0.000 0.814 309 A HN 0.516 nan 8.150 nan 0.000 0.444 310 G N -0.090 108.621 108.800 -0.150 0.000 2.440 310 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 310 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 310 G C 1.623 176.392 174.900 -0.218 0.000 1.154 310 G CA 1.066 46.078 45.100 -0.146 0.000 0.767 310 G HN 0.445 nan 8.290 nan 0.000 0.552 311 K N -0.168 120.030 120.400 -0.336 0.000 2.057 311 K HA 0.019 4.338 4.320 -0.000 0.000 0.207 311 K C 2.442 178.645 176.600 -0.662 0.000 1.049 311 K CA 0.514 56.426 56.287 -0.625 0.000 0.931 311 K CB -0.557 31.398 32.500 -0.908 0.000 0.714 311 K HN 0.226 nan 8.250 nan 0.000 0.440 312 L N 1.232 122.206 121.223 -0.415 0.000 2.056 312 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 312 L C 2.322 179.046 176.870 -0.243 0.000 1.078 312 L CA 1.303 55.997 54.840 -0.243 0.000 0.749 312 L CB -0.681 41.326 42.059 -0.086 0.000 0.901 312 L HN 0.092 nan 8.230 nan 0.000 0.433 313 I N -0.841 119.601 120.570 -0.213 0.000 2.179 313 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 313 I C 2.337 178.441 176.117 -0.022 0.000 1.088 313 I CA 1.030 62.254 61.300 -0.127 0.000 1.357 313 I CB -0.334 37.630 38.000 -0.061 0.000 1.051 313 I HN 0.189 nan 8.210 nan 0.000 0.409 314 K N 0.154 120.525 120.400 -0.048 0.000 2.097 314 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 314 K C 2.010 178.651 176.600 0.068 0.000 1.050 314 K CA 1.503 57.794 56.287 0.008 0.000 0.938 314 K CB -0.824 31.660 32.500 -0.026 0.000 0.718 314 K HN 0.404 nan 8.250 nan 0.000 0.442 315 Y N 1.362 121.619 120.300 -0.071 0.000 2.181 315 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 315 Y C 2.754 178.741 175.900 0.146 0.000 1.146 315 Y CA 1.811 59.945 58.100 0.056 0.000 1.164 315 Y CB -0.103 38.417 38.460 0.099 0.000 0.982 315 Y HN 0.057 nan 8.280 nan 0.000 0.515 316 S N -0.159 115.612 115.700 0.118 0.000 2.355 316 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 316 S C 1.610 176.294 174.600 0.140 0.000 1.031 316 S CA 1.877 60.168 58.200 0.151 0.000 0.993 316 S CB -0.432 62.816 63.200 0.080 0.000 0.859 316 S HN 0.596 nan 8.310 nan 0.000 0.453 317 D N 1.085 121.585 120.400 0.166 0.000 2.137 317 D HA -0.012 4.628 4.640 -0.000 0.000 0.202 317 D C 1.490 177.918 176.300 0.214 0.000 0.970 317 D CA 1.187 55.308 54.000 0.202 0.000 0.837 317 D CB -0.363 40.543 40.800 0.177 0.000 0.981 317 D HN 0.816 nan 8.370 nan 0.000 0.475 318 N N -1.635 117.152 118.700 0.146 0.000 2.143 318 N HA 0.135 4.874 4.740 -0.000 0.000 0.222 318 N C 1.074 176.626 175.510 0.069 0.000 1.264 318 N CA 0.491 53.642 53.050 0.168 0.000 0.897 318 N CB 1.663 40.267 38.487 0.195 0.000 1.092 318 N HN 0.092 nan 8.380 nan 0.000 0.516 319 G N 1.272 110.068 108.800 -0.007 0.000 2.148 319 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.254 319 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.254 319 G C -0.070 175.001 174.900 0.285 0.000 0.981 319 G CA 0.474 45.569 45.100 -0.010 0.000 0.670 319 G HN 0.543 nan 8.290 nan 0.000 0.528 320 S N 0.304 116.160 115.700 0.260 0.000 2.533 320 S HA 0.479 4.949 4.470 -0.000 0.000 0.282 320 S C 1.487 176.369 174.600 0.471 0.000 1.304 320 S CA 1.265 59.638 58.200 0.289 0.000 1.063 320 S CB 0.618 63.915 63.200 0.161 0.000 0.881 320 S HN 1.204 nan 8.310 nan 0.000 0.493 321 T N 3.395 118.198 114.554 0.415 0.000 3.200 321 T HA 0.246 4.596 4.350 -0.000 0.000 0.284 321 T C 0.208 175.084 174.700 0.293 0.000 1.009 321 T CA -0.534 61.782 62.100 0.361 0.000 0.907 321 T CB -0.174 68.781 68.868 0.145 0.000 1.120 321 T HN 0.460 nan 8.240 nan 0.000 0.534 322 L N 3.532 124.915 121.223 0.267 0.000 2.559 322 L HA 0.315 4.655 4.340 -0.000 0.000 0.274 322 L C 1.116 178.128 176.870 0.236 0.000 1.205 322 L CA 1.703 56.662 54.840 0.198 0.000 0.907 322 L CB 0.034 42.187 42.059 0.157 0.000 1.153 322 L HN 0.775 nan 8.230 nan 0.000 0.490 323 S N 1.873 117.669 115.700 0.160 0.000 2.857 323 S HA -0.209 4.261 4.470 -0.000 0.000 0.268 323 S C 0.447 175.080 174.600 0.056 0.000 1.297 323 S CA 0.465 58.735 58.200 0.117 0.000 1.280 323 S CB -2.482 60.795 63.200 0.128 0.000 1.562 323 S HN 1.908 nan 8.310 nan 0.000 0.661 324 A N 1.106 123.901 122.820 -0.043 0.000 2.483 324 A HA 0.621 4.941 4.320 -0.000 0.000 0.238 324 A C 1.518 178.975 177.584 -0.213 0.000 1.070 324 A CA 0.115 51.899 52.037 -0.423 0.000 0.770 324 A CB 0.489 19.106 19.000 -0.638 0.000 1.008 324 A HN 1.706 nan 8.150 nan 0.000 0.497 325 V N -0.609 119.165 119.914 -0.234 0.000 3.650 325 V HA 0.133 4.253 4.120 -0.000 0.000 0.271 325 V C 0.607 176.643 176.094 -0.097 0.000 1.281 325 V CA 1.097 63.318 62.300 -0.132 0.000 1.120 325 V CB -0.772 30.979 31.823 -0.120 0.000 0.856 325 V HN 0.947 nan 8.190 nan 0.000 0.443 326 N N -0.884 117.759 118.700 -0.096 0.000 2.466 326 N HA 0.297 5.036 4.740 -0.000 0.000 0.272 326 N C -1.029 174.504 175.510 0.038 0.000 1.455 326 N CA -0.336 52.689 53.050 -0.043 0.000 0.875 326 N CB 0.429 38.886 38.487 -0.050 0.000 1.372 326 N HN 0.486 nan 8.380 nan 0.000 0.492 327 F N 0.416 120.241 119.950 -0.208 0.000 2.654 327 F HA 0.555 5.082 4.527 -0.000 0.000 0.308 327 F C -2.481 173.243 175.800 -0.127 0.000 1.108 327 F CA -1.646 56.228 58.000 -0.210 0.000 0.957 327 F CB 2.309 41.102 39.000 -0.346 0.000 1.309 327 F HN -0.213 nan 8.300 nan 0.000 0.446 328 P HA 0.140 nan 4.420 nan 0.000 0.271 328 P C -1.488 175.940 177.300 0.214 0.000 1.216 328 P CA 0.003 63.140 63.100 0.061 0.000 0.771 328 P CB 0.510 32.220 31.700 0.018 0.000 0.864 329 E N 1.360 121.646 120.200 0.142 0.000 2.194 329 E HA 0.396 4.745 4.350 -0.000 0.000 0.284 329 E C -0.430 176.174 176.600 0.006 0.000 1.035 329 E CA -0.612 55.865 56.400 0.127 0.000 0.836 329 E CB 1.046 30.809 29.700 0.106 0.000 1.070 329 E HN 0.229 nan 8.360 nan 0.000 0.401 330 V N 0.828 120.721 119.914 -0.034 0.000 3.120 330 V HA 0.833 4.953 4.120 -0.000 0.000 0.303 330 V C -1.358 174.603 176.094 -0.221 0.000 1.238 330 V CA -0.371 61.615 62.300 -0.522 0.000 1.008 330 V CB 2.249 33.564 31.823 -0.846 0.000 1.064 330 V HN 0.733 nan 8.190 nan 0.000 0.434 331 S N 4.540 120.071 115.700 -0.282 0.000 2.558 331 S HA 0.838 5.308 4.470 -0.000 0.000 0.277 331 S C -2.098 172.562 174.600 0.099 0.000 1.143 331 S CA -0.697 57.501 58.200 -0.004 0.000 0.865 331 S CB 1.667 64.911 63.200 0.073 0.000 1.102 331 S HN 1.429 nan 8.310 nan 0.000 0.454 332 L N 1.903 123.171 121.223 0.077 0.000 2.422 332 L HA 0.772 5.112 4.340 -0.000 0.000 0.264 332 L C -2.512 174.344 176.870 -0.023 0.000 0.984 332 L CA -1.646 53.233 54.840 0.064 0.000 0.819 332 L CB 1.440 43.531 42.059 0.053 0.000 1.330 332 L HN 0.679 nan 8.230 nan 0.000 0.410 333 P HA 0.245 nan 4.420 nan 0.000 0.269 333 P C -0.788 176.307 177.300 -0.341 0.000 1.215 333 P CA -0.273 62.676 63.100 -0.251 0.000 0.780 333 P CB 0.407 31.870 31.700 -0.394 0.000 0.898 334 L N 3.629 124.759 121.223 -0.156 0.000 2.342 334 L HA 0.119 4.459 4.340 -0.000 0.000 0.285 334 L C 0.591 177.515 176.870 0.090 0.000 1.095 334 L CA 0.052 54.878 54.840 -0.023 0.000 0.843 334 L CB -0.192 41.858 42.059 -0.014 0.000 1.201 334 L HN 0.473 nan 8.230 nan 0.000 0.445 335 H N 2.756 121.873 119.070 0.078 0.000 2.467 335 H HA 0.351 4.907 4.556 -0.000 0.000 0.275 335 H C 0.937 176.298 175.328 0.055 0.000 1.131 335 H CA -0.012 56.066 56.048 0.050 0.000 0.989 335 H CB 0.506 30.296 29.762 0.046 0.000 1.696 335 H HN 0.822 nan 8.280 nan 0.000 0.574 336 G N 0.089 108.986 108.800 0.162 0.000 2.645 336 G HA2 0.078 4.038 3.960 -0.000 0.000 0.239 336 G HA3 0.078 4.038 3.960 -0.000 0.000 0.239 336 G C 0.558 175.579 174.900 0.202 0.000 1.331 336 G CA 0.058 45.230 45.100 0.121 0.000 0.890 336 G HN 1.077 nan 8.290 nan 0.000 0.572 337 G N -1.106 107.785 108.800 0.151 0.000 2.645 337 G HA2 0.185 4.145 3.960 -0.000 0.000 0.246 337 G HA3 0.185 4.145 3.960 -0.000 0.000 0.246 337 G C -0.100 174.929 174.900 0.214 0.000 1.322 337 G CA 1.205 46.389 45.100 0.142 0.000 0.898 337 G HN 1.619 nan 8.290 nan 0.000 0.573 338 R N -0.181 120.385 120.500 0.110 0.000 2.604 338 R HA 0.780 5.119 4.340 -0.000 0.000 0.287 338 R C 0.499 176.714 176.300 -0.141 0.000 0.970 338 R CA -0.526 55.601 56.100 0.044 0.000 0.946 338 R CB 1.491 31.811 30.300 0.034 0.000 1.127 338 R HN 0.773 nan 8.270 nan 0.000 0.473 339 R N 2.681 122.931 120.500 -0.417 0.000 2.513 339 R HA 0.531 4.871 4.340 -0.000 0.000 0.301 339 R C -1.264 174.850 176.300 -0.309 0.000 0.968 339 R CA -0.495 55.315 56.100 -0.484 0.000 0.872 339 R CB 0.758 30.499 30.300 -0.932 0.000 1.177 339 R HN 0.450 nan 8.270 nan 0.000 0.444 343 I N 6.459 127.017 120.570 -0.020 0.000 2.433 343 I HA 0.397 4.566 4.170 -0.000 0.000 0.292 343 I C -0.505 175.526 176.117 -0.142 0.000 1.001 343 I CA -0.594 60.706 61.300 -0.000 0.000 1.119 343 I CB 1.299 39.344 38.000 0.074 0.000 1.289 343 I HN 0.633 nan 8.210 nan 0.000 0.438 344 H N 3.388 122.455 119.070 -0.005 0.000 3.037 344 H HA 0.431 4.987 4.556 -0.000 0.000 0.355 344 H C -1.396 173.934 175.328 0.003 0.000 1.263 344 H CA -1.093 54.961 56.048 0.010 0.000 1.129 344 H CB 0.967 30.828 29.762 0.165 0.000 1.861 344 H HN 0.467 nan 8.280 nan 0.000 0.546 345 E N 1.049 121.346 120.200 0.161 0.000 2.414 345 E HA -0.077 4.273 4.350 -0.000 0.000 0.263 345 E C -0.165 176.549 176.600 0.190 0.000 1.000 345 E CA -0.126 56.330 56.400 0.093 0.000 0.914 345 E CB 0.617 30.354 29.700 0.062 0.000 0.948 345 E HN 0.372 nan 8.360 nan 0.000 0.444 346 N N 3.415 122.186 118.700 0.119 0.000 2.819 346 N HA -0.036 4.703 4.740 -0.000 0.000 0.284 346 N C -1.099 174.471 175.510 0.099 0.000 1.196 346 N CA -0.126 53.014 53.050 0.151 0.000 1.114 346 N CB -0.051 38.480 38.487 0.073 0.000 1.437 346 N HN 0.345 nan 8.380 nan 0.000 0.518 347 R N 1.346 121.904 120.500 0.097 0.000 2.562 347 R HA 0.651 4.991 4.340 -0.000 0.000 0.298 347 R C -2.713 173.600 176.300 0.021 0.000 0.961 347 R CA -1.907 54.220 56.100 0.045 0.000 0.881 347 R CB 0.596 30.916 30.300 0.034 0.000 1.159 347 R HN 0.117 nan 8.270 nan 0.000 0.450 348 P HA 0.028 nan 4.420 nan 0.000 0.265 348 P C 0.610 177.900 177.300 -0.016 0.000 1.187 348 P CA 1.412 64.513 63.100 0.002 0.000 0.766 348 P CB 0.759 32.462 31.700 0.005 0.000 0.820 349 G N 0.638 109.421 108.800 -0.029 0.000 2.232 349 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.226 349 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.226 349 G C 1.025 175.878 174.900 -0.078 0.000 0.996 349 G CA 0.171 45.245 45.100 -0.042 0.000 0.626 349 G HN 0.393 nan 8.290 nan 0.000 0.509 350 V N 0.938 120.779 119.914 -0.121 0.000 2.261 350 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 350 V C 2.670 178.620 176.094 -0.241 0.000 1.047 350 V CA 2.399 64.562 62.300 -0.229 0.000 1.015 350 V CB -0.572 30.982 31.823 -0.448 0.000 0.642 350 V HN 0.429 nan 8.190 nan 0.000 0.446 351 L N 0.009 121.124 121.223 -0.180 0.000 2.083 351 L HA -0.146 4.193 4.340 -0.000 0.000 0.209 351 L C 2.483 179.314 176.870 -0.066 0.000 1.083 351 L CA 2.410 57.190 54.840 -0.101 0.000 0.752 351 L CB -0.978 41.067 42.059 -0.023 0.000 0.899 351 L HN 0.381 nan 8.230 nan 0.000 0.433 352 T N -0.263 114.258 114.554 -0.056 0.000 2.684 352 T HA -0.196 4.153 4.350 -0.000 0.000 0.267 352 T C 1.913 176.583 174.700 -0.050 0.000 1.036 352 T CA 1.413 63.491 62.100 -0.037 0.000 1.148 352 T CB -0.573 68.276 68.868 -0.031 0.000 0.863 352 T HN 0.518 nan 8.240 nan 0.000 0.436 353 A N 1.155 123.928 122.820 -0.078 0.000 1.902 353 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 353 A C 2.337 179.856 177.584 -0.107 0.000 1.181 353 A CA 1.167 53.150 52.037 -0.090 0.000 0.623 353 A CB -0.870 18.069 19.000 -0.103 0.000 0.818 353 A HN 0.453 nan 8.150 nan 0.000 0.443 354 L N -0.743 120.403 121.223 -0.129 0.000 1.970 354 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 354 L C 2.399 179.294 176.870 0.041 0.000 1.071 354 L CA 2.089 56.872 54.840 -0.096 0.000 0.751 354 L CB -0.750 41.239 42.059 -0.117 0.000 0.889 354 L HN 0.457 nan 8.230 nan 0.000 0.432 355 N N -0.383 118.359 118.700 0.070 0.000 2.223 355 N HA -0.219 4.521 4.740 -0.000 0.000 0.185 355 N C 1.733 177.304 175.510 0.102 0.000 1.016 355 N CA 0.982 54.120 53.050 0.146 0.000 0.863 355 N CB -0.072 38.462 38.487 0.078 0.000 0.983 355 N HN 0.212 nan 8.380 nan 0.000 0.429 356 K N 1.155 121.562 120.400 0.012 0.000 2.032 356 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 356 K C 1.734 178.290 176.600 -0.073 0.000 1.048 356 K CA 1.115 57.389 56.287 -0.022 0.000 0.927 356 K CB -0.155 32.319 32.500 -0.043 0.000 0.712 356 K HN 0.158 nan 8.250 nan 0.000 0.441 357 I N 0.291 120.756 120.570 -0.175 0.000 2.236 357 I HA -0.313 3.857 4.170 -0.000 0.000 0.249 357 I C 1.703 177.539 176.117 -0.468 0.000 1.102 357 I CA 1.544 62.617 61.300 -0.377 0.000 1.365 357 I CB -0.272 37.360 38.000 -0.612 0.000 1.051 357 I HN 0.160 nan 8.210 nan 0.000 0.420 358 F N -0.031 119.908 119.950 -0.019 0.000 2.446 358 F HA 0.164 4.691 4.527 -0.000 0.000 0.292 358 F C 2.460 178.256 175.800 -0.008 0.000 1.096 358 F CA 0.704 58.698 58.000 -0.011 0.000 1.438 358 F CB -0.813 38.181 39.000 -0.010 0.000 1.107 358 F HN -0.094 nan 8.300 nan 0.000 0.546 359 A N 0.587 123.491 122.820 0.140 0.000 1.845 359 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 359 A C 1.944 179.551 177.584 0.039 0.000 1.195 359 A CA 1.624 53.709 52.037 0.080 0.000 0.616 359 A CB -0.945 18.088 19.000 0.055 0.000 0.832 359 A HN 0.399 nan 8.150 nan 0.000 0.443 360 E N -0.615 119.590 120.200 0.009 0.000 2.501 360 E HA -0.193 4.157 4.350 -0.000 0.000 0.203 360 E C 1.584 178.181 176.600 -0.005 0.000 1.072 360 E CA 0.887 57.283 56.400 -0.006 0.000 0.885 360 E CB -0.065 29.619 29.700 -0.026 0.000 0.813 360 E HN 0.755 nan 8.360 nan 0.000 0.556 361 Q N -0.773 119.032 119.800 0.008 0.000 2.189 361 Q HA 0.090 4.429 4.340 -0.000 0.000 0.223 361 Q C 0.828 176.852 176.000 0.041 0.000 0.828 361 Q CA 0.453 56.265 55.803 0.014 0.000 0.967 361 Q CB 0.908 29.646 28.738 -0.000 0.000 1.139 361 Q HN 0.308 nan 8.270 nan 0.000 0.497 362 G N 0.921 109.751 108.800 0.050 0.000 2.155 362 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.257 362 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.257 362 G C 0.016 174.958 174.900 0.070 0.000 0.983 362 G CA 0.477 45.608 45.100 0.051 0.000 0.676 362 G HN 0.245 nan 8.290 nan 0.000 0.528 363 V N 0.674 120.656 119.914 0.114 0.000 2.530 363 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 363 V C 0.709 176.863 176.094 0.100 0.000 1.048 363 V CA -0.503 61.879 62.300 0.136 0.000 0.997 363 V CB 1.530 33.510 31.823 0.263 0.000 0.987 363 V HN 0.449 nan 8.190 nan 0.000 0.477 364 N N 3.906 122.631 118.700 0.042 0.000 2.518 364 N HA 0.382 5.121 4.740 -0.000 0.000 0.283 364 N C -0.750 174.721 175.510 -0.065 0.000 1.119 364 N CA -0.249 52.802 53.050 0.002 0.000 0.983 364 N CB 0.822 39.312 38.487 0.004 0.000 1.139 364 N HN 0.588 nan 8.380 nan 0.000 0.465 365 I N 2.697 123.217 120.570 -0.083 0.000 2.312 365 I HA 0.264 4.433 4.170 -0.000 0.000 0.290 365 I C 0.936 177.009 176.117 -0.073 0.000 1.008 365 I CA -0.483 60.731 61.300 -0.145 0.000 1.226 365 I CB 1.507 39.415 38.000 -0.154 0.000 1.371 365 I HN 0.692 nan 8.210 nan 0.000 0.468 366 A N 5.439 128.222 122.820 -0.061 0.000 2.067 366 A HA 0.559 4.879 4.320 -0.000 0.000 0.217 366 A C 0.946 178.535 177.584 0.007 0.000 1.156 366 A CA 0.935 52.967 52.037 -0.009 0.000 0.683 366 A CB 0.094 19.107 19.000 0.021 0.000 0.808 366 A HN 0.767 nan 8.150 nan 0.000 0.455 367 A N -1.320 121.489 122.820 -0.018 0.000 2.594 367 A HA 0.637 4.957 4.320 -0.000 0.000 0.296 367 A C -1.005 176.566 177.584 -0.022 0.000 1.056 367 A CA -0.206 51.830 52.037 -0.002 0.000 0.693 367 A CB 0.774 19.791 19.000 0.028 0.000 1.278 367 A HN 0.408 nan 8.150 nan 0.000 0.408 368 Q N 0.787 120.588 119.800 0.001 0.000 2.295 368 Q HA 0.586 4.925 4.340 -0.000 0.000 0.268 368 Q C -2.535 173.518 176.000 0.088 0.000 1.010 368 Q CA -0.583 55.230 55.803 0.017 0.000 0.856 368 Q CB 1.948 30.682 28.738 -0.008 0.000 1.349 368 Q HN 0.972 nan 8.270 nan 0.000 0.412 369 Y N 4.547 124.813 120.300 -0.057 0.000 2.327 369 Y HA 0.549 5.099 4.550 -0.000 0.000 0.325 369 Y C -2.240 173.623 175.900 -0.062 0.000 0.999 369 Y CA -1.315 56.759 58.100 -0.043 0.000 1.195 369 Y CB 1.415 39.854 38.460 -0.034 0.000 1.132 369 Y HN 0.713 nan 8.280 nan 0.000 0.455 370 L N 5.760 127.199 121.223 0.361 0.000 2.346 370 L HA 0.746 5.086 4.340 -0.000 0.000 0.276 370 L C -1.372 175.649 176.870 0.252 0.000 1.006 370 L CA -0.297 54.662 54.840 0.198 0.000 0.817 370 L CB 1.859 44.007 42.059 0.149 0.000 1.272 370 L HN 0.667 nan 8.230 nan 0.000 0.421 371 Q N 2.143 122.036 119.800 0.155 0.000 2.389 371 Q HA 0.800 5.140 4.340 -0.000 0.000 0.277 371 Q C -1.199 174.853 176.000 0.087 0.000 1.082 371 Q CA -0.228 55.667 55.803 0.154 0.000 0.810 371 Q CB 2.290 31.119 28.738 0.152 0.000 1.374 371 Q HN 0.886 nan 8.270 nan 0.000 0.422 372 T N -1.120 113.472 114.554 0.063 0.000 2.865 372 T HA 0.922 5.272 4.350 -0.000 0.000 0.294 372 T C -0.409 174.288 174.700 -0.005 0.000 1.119 372 T CA -0.087 62.022 62.100 0.015 0.000 1.007 372 T CB 1.251 70.142 68.868 0.038 0.000 1.225 372 T HN 0.757 nan 8.240 nan 0.000 0.515 373 S N -0.137 115.539 115.700 -0.039 0.000 2.851 373 S HA 0.785 5.255 4.470 -0.000 0.000 0.317 373 S C 1.632 176.214 174.600 -0.030 0.000 1.144 373 S CA -0.353 57.821 58.200 -0.043 0.000 0.862 373 S CB 0.837 63.986 63.200 -0.085 0.000 1.259 373 S HN 1.339 nan 8.310 nan 0.000 0.564 374 A N 0.110 122.912 122.820 -0.029 0.000 1.898 374 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 374 A C 1.407 178.976 177.584 -0.024 0.000 1.181 374 A CA 1.131 53.157 52.037 -0.018 0.000 0.620 374 A CB -0.955 18.035 19.000 -0.016 0.000 0.819 374 A HN 0.816 nan 8.150 nan 0.000 0.442 378 Y N 1.703 121.836 120.300 -0.278 0.000 2.373 378 Y HA 0.761 5.310 4.550 -0.000 0.000 0.336 378 Y C -1.342 174.582 175.900 0.040 0.000 0.979 378 Y CA -1.530 56.504 58.100 -0.110 0.000 1.080 378 Y CB 2.172 40.641 38.460 0.015 0.000 1.190 378 Y HN 0.829 nan 8.280 nan 0.000 0.446 379 V N 7.137 126.873 119.914 -0.296 0.000 2.760 379 V HA 0.770 4.890 4.120 -0.000 0.000 0.309 379 V C -1.870 174.011 176.094 -0.355 0.000 1.077 379 V CA -0.595 61.552 62.300 -0.255 0.000 0.910 379 V CB 2.083 33.945 31.823 0.065 0.000 1.008 379 V HN 0.612 nan 8.190 nan 0.000 0.424 380 V N 7.589 127.314 119.914 -0.315 0.000 2.513 380 V HA 0.623 4.742 4.120 -0.000 0.000 0.299 380 V C -0.324 175.712 176.094 -0.097 0.000 1.035 380 V CA -0.444 61.728 62.300 -0.212 0.000 0.889 380 V CB 1.734 33.426 31.823 -0.218 0.000 0.988 380 V HN 0.738 nan 8.190 nan 0.000 0.440 381 I N 3.147 123.657 120.570 -0.100 0.000 2.499 381 I HA 0.458 4.628 4.170 -0.000 0.000 0.288 381 I C -1.258 174.756 176.117 -0.171 0.000 1.048 381 I CA -0.588 60.634 61.300 -0.130 0.000 1.062 381 I CB 2.305 40.204 38.000 -0.167 0.000 1.238 381 I HN 0.452 nan 8.210 nan 0.000 0.426 382 D N 7.011 127.323 120.400 -0.147 0.000 2.233 382 D HA 0.568 5.208 4.640 -0.000 0.000 0.240 382 D C -0.405 175.796 176.300 -0.165 0.000 1.074 382 D CA -0.054 53.873 54.000 -0.121 0.000 0.838 382 D CB 1.729 42.510 40.800 -0.031 0.000 1.124 382 D HN 0.450 nan 8.370 nan 0.000 0.475 383 I N -2.084 118.384 120.570 -0.170 0.000 2.846 383 I HA 0.559 4.729 4.170 -0.000 0.000 0.307 383 I C -0.588 175.495 176.117 -0.057 0.000 1.053 383 I CA -0.942 60.247 61.300 -0.186 0.000 1.050 383 I CB 2.338 40.156 38.000 -0.303 0.000 1.239 383 I HN -0.016 nan 8.210 nan 0.000 0.439 384 E N 3.748 123.929 120.200 -0.032 0.000 2.070 384 E HA 0.708 5.058 4.350 -0.000 0.000 0.261 384 E C -0.682 175.937 176.600 0.032 0.000 0.926 384 E CA -0.450 55.958 56.400 0.012 0.000 0.760 384 E CB 1.494 31.202 29.700 0.012 0.000 1.133 384 E HN 0.794 nan 8.360 nan 0.000 0.420 385 A N 2.984 125.831 122.820 0.046 0.000 2.511 385 A HA 0.425 4.745 4.320 -0.000 0.000 0.293 385 A C -1.578 176.044 177.584 0.062 0.000 1.098 385 A CA -1.116 50.959 52.037 0.062 0.000 0.643 385 A CB 0.969 20.024 19.000 0.093 0.000 1.302 385 A HN 0.554 nan 8.150 nan 0.000 0.446 386 D N -0.431 120.006 120.400 0.061 0.000 2.432 386 D HA 0.479 5.119 4.640 -0.000 0.000 0.258 386 D C 0.670 177.007 176.300 0.063 0.000 1.146 386 D CA -0.044 53.989 54.000 0.057 0.000 1.015 386 D CB 0.464 41.292 40.800 0.046 0.000 1.107 386 D HN 0.545 nan 8.370 nan 0.000 0.529 387 E N -0.273 119.962 120.200 0.058 0.000 2.038 387 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 387 E C 1.272 177.905 176.600 0.055 0.000 1.000 387 E CA 1.502 57.937 56.400 0.059 0.000 0.803 387 E CB -0.170 29.562 29.700 0.053 0.000 0.750 387 E HN 0.485 nan 8.360 nan 0.000 0.448 388 D N 0.640 121.068 120.400 0.046 0.000 2.160 388 D HA -0.196 4.444 4.640 -0.000 0.000 0.189 388 D C 2.185 178.511 176.300 0.043 0.000 1.003 388 D CA 1.542 55.566 54.000 0.039 0.000 0.846 388 D CB -0.461 40.358 40.800 0.033 0.000 0.949 388 D HN 0.063 nan 8.370 nan 0.000 0.446 389 V N 1.747 121.693 119.914 0.052 0.000 2.343 389 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 389 V C 2.634 178.780 176.094 0.086 0.000 1.051 389 V CA 1.881 64.218 62.300 0.062 0.000 1.036 389 V CB -0.903 30.969 31.823 0.081 0.000 0.654 389 V HN 0.210 nan 8.190 nan 0.000 0.451 390 A N -0.034 122.847 122.820 0.101 0.000 1.865 390 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 390 A C 2.184 179.824 177.584 0.093 0.000 1.191 390 A CA 2.078 54.188 52.037 0.121 0.000 0.623 390 A CB -0.549 18.508 19.000 0.095 0.000 0.826 390 A HN 0.642 nan 8.150 nan 0.000 0.444 391 E N -0.083 120.157 120.200 0.067 0.000 2.077 391 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 391 E C 2.100 178.723 176.600 0.039 0.000 0.989 391 E CA 1.471 57.903 56.400 0.053 0.000 0.800 391 E CB -0.215 29.512 29.700 0.045 0.000 0.746 391 E HN 0.609 nan 8.360 nan 0.000 0.452 392 K N 0.737 121.154 120.400 0.028 0.000 2.026 392 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 392 K C 2.285 178.873 176.600 -0.020 0.000 1.048 392 K CA 1.159 57.448 56.287 0.003 0.000 0.929 392 K CB -0.218 32.280 32.500 -0.004 0.000 0.713 392 K HN 0.060 nan 8.250 nan 0.000 0.439 393 A N 1.602 124.410 122.820 -0.020 0.000 1.908 393 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 393 A C 2.146 179.716 177.584 -0.022 0.000 1.181 393 A CA 1.322 53.303 52.037 -0.094 0.000 0.627 393 A CB -0.587 18.400 19.000 -0.023 0.000 0.818 393 A HN 0.260 nan 8.150 nan 0.000 0.445 394 L N -0.616 120.637 121.223 0.050 0.000 2.042 394 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 394 L C 2.431 179.332 176.870 0.052 0.000 1.076 394 L CA 2.202 57.087 54.840 0.074 0.000 0.749 394 L CB -0.571 41.534 42.059 0.077 0.000 0.893 394 L HN 0.348 nan 8.230 nan 0.000 0.432 395 Q N 0.501 120.318 119.800 0.027 0.000 2.050 395 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 395 Q C 1.381 177.386 176.000 0.009 0.000 0.980 395 Q CA 1.152 56.967 55.803 0.020 0.000 0.840 395 Q CB -1.017 27.727 28.738 0.010 0.000 0.898 395 Q HN 0.634 nan 8.270 nan 0.000 0.424 399 A N 1.770 124.627 122.820 0.063 0.000 1.968 399 A HA 0.115 4.434 4.320 -0.000 0.000 0.217 399 A C 1.029 178.638 177.584 0.041 0.000 1.169 399 A CA 0.450 52.510 52.037 0.038 0.000 0.638 399 A CB -0.534 18.473 19.000 0.012 0.000 0.812 399 A HN 0.208 nan 8.150 nan 0.000 0.446 400 I N 1.369 121.970 120.570 0.051 0.000 2.906 400 I HA -0.027 4.143 4.170 -0.000 0.000 0.301 400 I C -2.236 173.916 176.117 0.059 0.000 1.221 400 I CA -1.123 60.197 61.300 0.032 0.000 1.435 400 I CB 0.250 38.246 38.000 -0.006 0.000 1.345 400 I HN 0.090 nan 8.210 nan 0.000 0.558 401 P HA 0.058 nan 4.420 nan 0.000 0.267 401 P C 0.762 178.091 177.300 0.048 0.000 1.205 401 P CA 0.632 63.750 63.100 0.031 0.000 0.765 401 P CB 0.760 32.467 31.700 0.011 0.000 0.828 402 G N 1.583 110.419 108.800 0.060 0.000 2.232 402 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.226 402 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.226 402 G C 0.369 175.343 174.900 0.125 0.000 0.996 402 G CA -0.140 45.009 45.100 0.081 0.000 0.626 402 G HN 0.575 nan 8.290 nan 0.000 0.509 403 T N 1.118 115.756 114.554 0.140 0.000 2.934 403 T HA 0.406 4.756 4.350 -0.000 0.000 0.306 403 T C 1.808 176.518 174.700 0.017 0.000 1.042 403 T CA 0.847 63.007 62.100 0.101 0.000 1.145 403 T CB 1.111 70.053 68.868 0.123 0.000 0.982 403 T HN 0.280 nan 8.240 nan 0.000 0.544 404 I N 1.972 122.517 120.570 -0.041 0.000 2.947 404 I HA 0.210 4.380 4.170 -0.000 0.000 0.263 404 I C 1.011 177.099 176.117 -0.048 0.000 1.130 404 I CA 0.433 61.713 61.300 -0.034 0.000 1.448 404 I CB 0.236 38.214 38.000 -0.036 0.000 1.222 404 I HN 0.460 nan 8.210 nan 0.000 0.453 405 R N 0.155 120.601 120.500 -0.089 0.000 2.692 405 R HA 0.781 5.121 4.340 -0.000 0.000 0.269 405 R C -1.536 174.708 176.300 -0.093 0.000 1.030 405 R CA -0.743 55.324 56.100 -0.056 0.000 0.882 405 R CB 2.059 32.355 30.300 -0.007 0.000 1.250 405 R HN 0.039 nan 8.270 nan 0.000 0.465 406 A N 1.411 124.226 122.820 -0.007 0.000 2.549 406 A HA 0.837 5.157 4.320 -0.000 0.000 0.297 406 A C -1.356 176.274 177.584 0.077 0.000 1.061 406 A CA -0.693 51.383 52.037 0.065 0.000 0.690 406 A CB 2.218 21.302 19.000 0.139 0.000 1.287 406 A HN 0.728 nan 8.150 nan 0.000 0.402 407 R N 0.906 121.462 120.500 0.094 0.000 2.604 407 R HA 0.572 4.912 4.340 -0.000 0.000 0.270 407 R C -2.226 174.106 176.300 0.053 0.000 1.052 407 R CA -0.713 55.425 56.100 0.064 0.000 0.902 407 R CB 1.518 31.843 30.300 0.041 0.000 1.233 407 R HN 0.802 nan 8.270 nan 0.000 0.455 408 L N 5.874 127.123 121.223 0.045 0.000 2.257 408 L HA 0.346 4.685 4.340 -0.000 0.000 0.290 408 L C -0.115 176.757 176.870 0.003 0.000 1.044 408 L CA 0.031 54.884 54.840 0.021 0.000 0.810 408 L CB 1.210 43.295 42.059 0.045 0.000 1.193 408 L HN 0.849 nan 8.230 nan 0.000 0.425 409 L N 5.466 126.641 121.223 -0.080 0.000 2.162 409 L HA 0.092 4.431 4.340 -0.000 0.000 0.205 409 L C -0.188 176.716 176.870 0.057 0.000 1.086 409 L CA 0.479 55.279 54.840 -0.066 0.000 0.778 409 L CB -0.373 41.569 42.059 -0.196 0.000 0.928 409 L HN 0.772 nan 8.230 nan 0.000 0.446 410 Y N 0.000 120.325 120.300 0.042 0.000 2.660 410 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 410 Y CA 0.000 58.123 58.100 0.037 0.000 1.940 410 Y CB 0.000 38.478 38.460 0.031 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758