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 3b9f_1_I DATA FIRST_RESID 28 DATA SEQUENCE DFTFDLYRAL ASAAPSQNIF FSPVSISMSL AMLSLGAGSS TKMQILEGLG DATA SEQUENCE LXXXXSSEKE LHRGFQQLLQ ELNQPRDGFQ LSLGNALFTD LVVDLQDTFV DATA SEQUENCE SAMKTLYLAD TFPTNFRDSA GAMKQINDYV AKQTKGKIVD LLKNLDSNAV DATA SEQUENCE VIMVNYIFFK AKWETSFNHK GTQEQDFYVT SETVVRVPMM SREDQYHYLL DATA SEQUENCE DRNLSCRVVG VPYQGNATAL FILPSEGKMQ QVENGLSEKT LRKWLKMFKK DATA SEQUENCE RQLELYLPKF SIEGSYQLEK VLPSLGISNV FTSHADLSGI SNHSNIQVSE DATA SEQUENCE MVHKAVVEVD ESGTRAAAAT GTIFTFRSAR LNSQRLVFNR PFLMFIVDNN DATA SEQUENCE ILFLGKVNRP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.457 176.300 0.262 0.000 2.045 28 D CA 0.000 54.181 54.000 0.302 0.000 0.868 28 D CB 0.000 40.988 40.800 0.314 0.000 0.688 29 F N 0.371 120.366 119.950 0.074 0.000 2.091 29 F HA -0.071 4.505 4.527 0.081 0.000 0.299 29 F C 2.603 178.393 175.800 -0.016 0.000 1.103 29 F CA 3.402 61.418 58.000 0.026 0.000 1.228 29 F CB -0.496 38.508 39.000 0.006 0.000 0.984 29 F HN 0.471 nan 8.300 nan 0.000 0.477 30 T N 0.770 115.278 114.554 -0.077 0.000 2.699 30 T HA -0.223 4.183 4.350 0.094 0.000 0.268 30 T C 1.615 176.083 174.700 -0.388 0.000 1.036 30 T CA 2.080 63.985 62.100 -0.324 0.000 1.147 30 T CB -0.611 67.963 68.868 -0.489 0.000 0.862 30 T HN 0.263 nan 8.240 nan 0.000 0.446 31 F N 1.283 121.261 119.950 0.046 0.000 2.367 31 F HA 0.097 4.700 4.527 0.126 0.000 0.298 31 F C 2.237 178.071 175.800 0.056 0.000 1.094 31 F CA 0.245 58.300 58.000 0.091 0.000 1.409 31 F CB -0.472 38.570 39.000 0.071 0.000 1.064 31 F HN 0.058 nan 8.300 nan 0.000 0.528 32 D N 0.169 120.614 120.400 0.075 0.000 2.144 32 D HA -0.123 4.573 4.640 0.094 0.000 0.200 32 D C 2.288 178.495 176.300 -0.155 0.000 0.978 32 D CA 0.822 54.812 54.000 -0.016 0.000 0.833 32 D CB -0.421 40.353 40.800 -0.043 0.000 0.961 32 D HN 0.166 nan 8.370 nan 0.000 0.470 33 L N -0.063 120.946 121.223 -0.356 0.000 2.027 33 L HA -0.139 4.257 4.340 0.094 0.000 0.206 33 L C 2.197 178.832 176.870 -0.392 0.000 1.074 33 L CA 1.478 56.014 54.840 -0.505 0.000 0.745 33 L CB -0.988 40.573 42.059 -0.829 0.000 0.898 33 L HN 0.031 nan 8.230 nan 0.000 0.433 34 Y N 0.697 120.869 120.300 -0.214 0.000 2.053 34 Y HA -0.326 4.261 4.550 0.063 0.000 0.277 34 Y C 2.735 178.614 175.900 -0.035 0.000 1.159 34 Y CA 2.317 60.410 58.100 -0.012 0.000 1.125 34 Y CB -0.331 38.243 38.460 0.191 0.000 0.969 34 Y HN 0.145 nan 8.280 nan 0.000 0.492 35 R N -0.010 120.464 120.500 -0.044 0.000 2.105 35 R HA -0.181 4.216 4.340 0.094 0.000 0.239 35 R C 2.518 178.703 176.300 -0.192 0.000 1.135 35 R CA 1.180 57.227 56.100 -0.088 0.000 0.967 35 R CB -0.692 29.664 30.300 0.093 0.000 0.861 35 R HN 0.511 nan 8.270 nan 0.000 0.442 36 A N 1.119 123.820 122.820 -0.199 0.000 1.902 36 A HA -0.129 4.247 4.320 0.094 0.000 0.217 36 A C 2.151 179.592 177.584 -0.237 0.000 1.181 36 A CA 1.167 53.088 52.037 -0.194 0.000 0.623 36 A CB -0.455 18.420 19.000 -0.208 0.000 0.818 36 A HN 0.178 nan 8.150 nan 0.000 0.443 37 L N -1.034 119.974 121.223 -0.358 0.000 2.072 37 L HA -0.129 4.268 4.340 0.094 0.000 0.205 37 L C 3.075 179.796 176.870 -0.248 0.000 1.079 37 L CA 0.975 55.611 54.840 -0.341 0.000 0.752 37 L CB -0.596 41.128 42.059 -0.558 0.000 0.906 37 L HN 0.425 nan 8.230 nan 0.000 0.436 38 A N -0.461 122.134 122.820 -0.375 0.000 1.930 38 A HA -0.161 4.216 4.320 0.094 0.000 0.217 38 A C 2.509 180.022 177.584 -0.118 0.000 1.175 38 A CA 1.936 53.818 52.037 -0.259 0.000 0.627 38 A CB -0.495 18.279 19.000 -0.378 0.000 0.815 38 A HN 0.363 nan 8.150 nan 0.000 0.443 39 S N -0.038 115.591 115.700 -0.119 0.000 2.368 39 S HA -0.016 4.510 4.470 0.094 0.000 0.224 39 S C 2.257 176.830 174.600 -0.046 0.000 1.029 39 S CA 1.114 59.278 58.200 -0.060 0.000 0.988 39 S CB -0.411 62.755 63.200 -0.057 0.000 0.838 39 S HN 0.787 nan 8.310 nan 0.000 0.462 40 A N 0.618 123.402 122.820 -0.060 0.000 2.015 40 A HA 0.437 4.813 4.320 0.094 0.000 0.219 40 A C 1.278 178.855 177.584 -0.012 0.000 1.163 40 A CA 1.212 53.227 52.037 -0.036 0.000 0.646 40 A CB -0.232 18.742 19.000 -0.043 0.000 0.806 40 A HN 0.493 nan 8.150 nan 0.000 0.448 41 A N -0.049 122.767 122.820 -0.007 0.000 3.216 41 A HA 0.604 4.981 4.320 0.094 0.000 0.321 41 A C -2.923 174.672 177.584 0.017 0.000 1.042 41 A CA -1.292 50.755 52.037 0.016 0.000 0.838 41 A CB 0.180 19.209 19.000 0.048 0.000 1.136 41 A HN 0.149 nan 8.150 nan 0.000 0.483 42 P HA 0.330 nan 4.420 nan 0.000 0.268 42 P C 1.061 178.384 177.300 0.038 0.000 1.208 42 P CA 1.703 64.817 63.100 0.024 0.000 0.777 42 P CB 0.667 32.380 31.700 0.022 0.000 0.875 43 S N -0.748 114.983 115.700 0.052 0.000 3.473 43 S HA -0.223 4.304 4.470 0.094 0.000 0.339 43 S C 0.441 175.075 174.600 0.057 0.000 1.148 43 S CA 1.081 59.317 58.200 0.060 0.000 0.969 43 S CB -1.883 61.349 63.200 0.052 0.000 0.936 43 S HN 0.443 nan 8.310 nan 0.000 0.530 44 Q N 0.187 120.022 119.800 0.059 0.000 2.413 44 Q HA 0.494 4.890 4.340 0.094 0.000 0.276 44 Q C -0.504 175.543 176.000 0.079 0.000 1.099 44 Q CA -0.977 54.860 55.803 0.058 0.000 0.814 44 Q CB 0.912 29.682 28.738 0.053 0.000 1.379 44 Q HN 0.469 nan 8.270 nan 0.000 0.436 45 N N 1.081 119.823 118.700 0.070 0.000 2.458 45 N HA 0.174 4.970 4.740 0.094 0.000 0.258 45 N C -0.523 175.106 175.510 0.198 0.000 1.219 45 N CA 0.332 53.439 53.050 0.095 0.000 0.902 45 N CB 0.452 38.966 38.487 0.045 0.000 1.076 45 N HN 0.349 nan 8.380 nan 0.000 0.455 46 I N 2.434 123.174 120.570 0.285 0.000 2.498 46 I HA 0.444 4.670 4.170 0.094 0.000 0.290 46 I C -0.870 175.604 176.117 0.595 0.000 1.032 46 I CA -0.551 61.000 61.300 0.418 0.000 1.073 46 I CB 0.902 39.075 38.000 0.289 0.000 1.251 46 I HN 0.354 nan 8.210 nan 0.000 0.426 47 F N 8.756 129.014 119.950 0.514 0.000 2.670 47 F HA 0.580 5.366 4.527 0.432 0.000 0.332 47 F C -1.487 174.707 175.800 0.657 0.000 1.179 47 F CA -0.887 57.383 58.000 0.450 0.000 1.076 47 F CB 1.232 40.411 39.000 0.299 0.000 1.322 47 F HN 0.332 nan 8.300 nan 0.000 0.515 48 F N 2.008 121.841 119.950 -0.194 0.000 2.745 48 F HA 0.737 5.309 4.527 0.076 0.000 0.316 48 F C -1.387 174.361 175.800 -0.087 0.000 1.155 48 F CA -1.452 56.588 58.000 0.067 0.000 0.937 48 F CB 1.254 40.320 39.000 0.111 0.000 1.361 48 F HN 0.249 nan 8.300 nan 0.000 0.472 49 S N 1.745 117.563 115.700 0.197 0.000 2.461 49 S HA 0.500 5.026 4.470 0.094 0.000 0.322 49 S C -2.164 172.323 174.600 -0.189 0.000 1.063 49 S CA -1.547 56.483 58.200 -0.283 0.000 1.120 49 S CB 0.912 63.944 63.200 -0.280 0.000 0.968 49 S HN 0.490 nan 8.310 nan 0.000 0.467 50 P HA -0.114 nan 4.420 nan 0.000 0.215 50 P C 1.562 178.835 177.300 -0.044 0.000 1.157 50 P CA 0.567 63.617 63.100 -0.084 0.000 0.868 50 P CB 0.126 31.695 31.700 -0.218 0.000 0.788 51 V N -0.751 119.098 119.914 -0.107 0.000 2.515 51 V HA -0.192 3.985 4.120 0.094 0.000 0.250 51 V C 2.422 178.480 176.094 -0.060 0.000 1.058 51 V CA 2.471 64.757 62.300 -0.024 0.000 1.064 51 V CB -1.115 30.695 31.823 -0.022 0.000 0.675 51 V HN 0.135 nan 8.190 nan 0.000 0.461 52 S N -0.589 115.047 115.700 -0.106 0.000 2.383 52 S HA -0.084 4.442 4.470 0.094 0.000 0.227 52 S C 1.809 176.336 174.600 -0.121 0.000 1.026 52 S CA 1.763 59.919 58.200 -0.074 0.000 0.981 52 S CB -0.374 62.855 63.200 0.048 0.000 0.818 52 S HN 0.630 nan 8.310 nan 0.000 0.472 53 I N 0.822 121.289 120.570 -0.171 0.000 2.353 53 I HA -0.087 4.139 4.170 0.094 0.000 0.248 53 I C 2.472 178.519 176.117 -0.116 0.000 1.119 53 I CA 0.799 61.999 61.300 -0.167 0.000 1.417 53 I CB -0.390 37.516 38.000 -0.157 0.000 1.078 53 I HN 0.267 nan 8.210 nan 0.000 0.421 54 S N 0.690 116.329 115.700 -0.102 0.000 2.368 54 S HA -0.142 4.384 4.470 0.094 0.000 0.225 54 S C 2.042 176.368 174.600 -0.456 0.000 1.030 54 S CA 1.385 59.489 58.200 -0.161 0.000 0.999 54 S CB -0.173 63.045 63.200 0.030 0.000 0.844 54 S HN 0.341 nan 8.310 nan 0.000 0.459 55 M N 0.687 119.912 119.600 -0.626 0.000 2.086 55 M HA -0.098 4.438 4.480 0.094 0.000 0.261 55 M C 2.552 178.555 176.300 -0.496 0.000 1.067 55 M CA 1.236 56.022 55.300 -0.857 0.000 1.116 55 M CB -0.597 31.722 32.600 -0.467 0.000 1.348 55 M HN 0.320 nan 8.290 nan 0.000 0.407 56 S N 0.849 116.370 115.700 -0.299 0.000 2.370 56 S HA -0.125 4.401 4.470 0.094 0.000 0.226 56 S C 1.808 176.281 174.600 -0.211 0.000 1.033 56 S CA 1.246 59.321 58.200 -0.208 0.000 1.011 56 S CB -0.260 62.892 63.200 -0.080 0.000 0.852 56 S HN 0.384 nan 8.310 nan 0.000 0.457 57 L N 0.831 121.939 121.223 -0.193 0.000 2.056 57 L HA -0.030 4.367 4.340 0.094 0.000 0.207 57 L C 2.976 179.747 176.870 -0.164 0.000 1.078 57 L CA 1.156 55.905 54.840 -0.153 0.000 0.749 57 L CB -0.760 41.203 42.059 -0.160 0.000 0.901 57 L HN 0.410 nan 8.230 nan 0.000 0.433 58 A N -0.268 122.426 122.820 -0.210 0.000 1.908 58 A HA -0.294 4.083 4.320 0.094 0.000 0.218 58 A C 2.346 179.868 177.584 -0.103 0.000 1.181 58 A CA 2.058 54.057 52.037 -0.064 0.000 0.627 58 A CB -0.573 18.450 19.000 0.038 0.000 0.818 58 A HN 0.404 nan 8.150 nan 0.000 0.445 59 M N -0.804 118.449 119.600 -0.578 0.000 2.080 59 M HA -0.116 4.420 4.480 0.094 0.000 0.260 59 M C 2.165 178.329 176.300 -0.226 0.000 1.068 59 M CA 1.796 56.614 55.300 -0.804 0.000 1.109 59 M CB -0.218 31.806 32.600 -0.960 0.000 1.342 59 M HN 0.523 nan 8.290 nan 0.000 0.405 60 L N -0.048 121.096 121.223 -0.132 0.000 2.083 60 L HA -0.207 4.190 4.340 0.094 0.000 0.209 60 L C 2.525 179.400 176.870 0.008 0.000 1.083 60 L CA 1.876 56.707 54.840 -0.015 0.000 0.752 60 L CB -0.372 41.643 42.059 -0.072 0.000 0.899 60 L HN 0.510 nan 8.230 nan 0.000 0.433 61 S N -0.520 115.182 115.700 0.002 0.000 2.465 61 S HA -0.180 4.346 4.470 0.094 0.000 0.241 61 S C 1.821 176.475 174.600 0.090 0.000 1.000 61 S CA 0.874 59.096 58.200 0.036 0.000 0.964 61 S CB -0.676 62.564 63.200 0.068 0.000 0.763 61 S HN 0.516 nan 8.310 nan 0.000 0.512 62 L N 0.650 121.951 121.223 0.130 0.000 2.201 62 L HA 0.082 4.479 4.340 0.094 0.000 0.212 62 L C 2.525 179.524 176.870 0.215 0.000 1.105 62 L CA 1.148 56.073 54.840 0.142 0.000 0.775 62 L CB -0.605 41.503 42.059 0.080 0.000 0.913 62 L HN 0.578 nan 8.230 nan 0.000 0.440 63 G N -1.070 107.808 108.800 0.131 0.000 3.277 63 G HA2 0.463 4.480 3.960 0.094 0.000 0.243 63 G HA3 0.463 4.480 3.960 0.094 0.000 0.243 63 G C 0.326 175.094 174.900 -0.220 0.000 1.107 63 G CA 0.383 45.336 45.100 -0.245 0.000 0.771 63 G HN 0.278 nan 8.290 nan 0.000 0.544 64 A N -0.500 122.252 122.820 -0.113 0.000 2.269 64 A HA 0.934 5.310 4.320 0.094 0.000 0.319 64 A C 0.380 177.924 177.584 -0.067 0.000 1.110 64 A CA 0.036 52.006 52.037 -0.111 0.000 0.847 64 A CB 1.395 20.331 19.000 -0.107 0.000 1.161 64 A HN 0.782 nan 8.150 nan 0.000 0.497 65 G N -1.454 107.307 108.800 -0.066 0.000 2.727 65 G HA2 0.600 4.617 3.960 0.094 0.000 0.289 65 G HA3 0.600 4.617 3.960 0.094 0.000 0.289 65 G C -0.066 174.814 174.900 -0.033 0.000 1.418 65 G CA 0.421 45.497 45.100 -0.040 0.000 0.818 65 G HN 1.640 nan 8.290 nan 0.000 0.486 66 S N -1.296 114.393 115.700 -0.019 0.000 3.416 66 S HA -0.313 4.214 4.470 0.094 0.000 0.627 66 S C 2.345 176.938 174.600 -0.011 0.000 2.746 66 S CA 2.224 60.417 58.200 -0.011 0.000 3.896 66 S CB -1.565 61.631 63.200 -0.006 0.000 0.264 66 S HN 2.171 nan 8.310 nan 0.000 1.229 67 S N 0.569 116.267 115.700 -0.003 0.000 2.423 67 S HA -0.085 4.442 4.470 0.094 0.000 0.231 67 S C 1.684 176.274 174.600 -0.017 0.000 1.014 67 S CA 1.835 60.035 58.200 -0.000 0.000 0.965 67 S CB -0.928 62.283 63.200 0.019 0.000 0.785 67 S HN 0.704 nan 8.310 nan 0.000 0.495 68 T N 2.300 116.833 114.554 -0.035 0.000 2.720 68 T HA -0.110 4.297 4.350 0.094 0.000 0.268 68 T C 1.752 176.403 174.700 -0.082 0.000 1.037 68 T CA 1.805 63.857 62.100 -0.079 0.000 1.144 68 T CB -0.311 68.489 68.868 -0.114 0.000 0.864 68 T HN 0.598 nan 8.240 nan 0.000 0.444 69 K N 0.511 120.875 120.400 -0.060 0.000 2.062 69 K HA 0.020 4.396 4.320 0.094 0.000 0.205 69 K C 2.390 178.969 176.600 -0.036 0.000 1.051 69 K CA 1.012 57.271 56.287 -0.047 0.000 0.941 69 K CB -0.177 32.307 32.500 -0.027 0.000 0.719 69 K HN 0.303 nan 8.250 nan 0.000 0.440 70 M N 0.762 120.347 119.600 -0.025 0.000 2.108 70 M HA -0.244 4.293 4.480 0.094 0.000 0.261 70 M C 2.222 178.509 176.300 -0.022 0.000 1.066 70 M CA 1.818 57.108 55.300 -0.018 0.000 1.107 70 M CB -0.432 32.163 32.600 -0.008 0.000 1.356 70 M HN 0.203 nan 8.290 nan 0.000 0.406 71 Q N 0.404 120.190 119.800 -0.023 0.000 2.096 71 Q HA -0.141 4.256 4.340 0.094 0.000 0.204 71 Q C 2.055 178.034 176.000 -0.035 0.000 0.982 71 Q CA 1.369 57.163 55.803 -0.016 0.000 0.850 71 Q CB -0.310 28.423 28.738 -0.009 0.000 0.901 71 Q HN 0.590 nan 8.270 nan 0.000 0.422 72 I N 0.615 121.149 120.570 -0.060 0.000 2.202 72 I HA -0.282 3.944 4.170 0.094 0.000 0.242 72 I C 2.235 178.292 176.117 -0.101 0.000 1.091 72 I CA 1.077 62.325 61.300 -0.086 0.000 1.368 72 I CB -0.312 37.633 38.000 -0.092 0.000 1.058 72 I HN 0.193 nan 8.210 nan 0.000 0.410 73 L N 0.338 121.520 121.223 -0.068 0.000 2.017 73 L HA -0.206 4.190 4.340 0.094 0.000 0.208 73 L C 2.520 179.346 176.870 -0.074 0.000 1.073 73 L CA 1.548 56.349 54.840 -0.065 0.000 0.745 73 L CB -0.734 41.303 42.059 -0.036 0.000 0.894 73 L HN 0.267 nan 8.230 nan 0.000 0.432 74 E N 0.208 120.378 120.200 -0.051 0.000 2.118 74 E HA -0.186 4.221 4.350 0.094 0.000 0.195 74 E C 2.217 178.784 176.600 -0.055 0.000 0.992 74 E CA 1.066 57.446 56.400 -0.034 0.000 0.804 74 E CB -0.304 29.392 29.700 -0.007 0.000 0.741 74 E HN 0.582 nan 8.360 nan 0.000 0.458 75 G N 1.147 109.886 108.800 -0.101 0.000 2.422 75 G HA2 -0.214 3.803 3.960 0.094 0.000 0.218 75 G HA3 -0.214 3.803 3.960 0.094 0.000 0.218 75 G C 1.454 176.061 174.900 -0.489 0.000 1.146 75 G CA 0.337 45.314 45.100 -0.205 0.000 0.769 75 G HN 0.120 nan 8.290 nan 0.000 0.547 76 L N 0.849 121.840 121.223 -0.386 0.000 2.599 76 L HA 0.223 4.620 4.340 0.094 0.000 0.230 76 L C 1.770 178.549 176.870 -0.152 0.000 1.141 76 L CA 0.193 54.834 54.840 -0.332 0.000 0.877 76 L CB -0.426 41.519 42.059 -0.191 0.000 1.009 76 L HN 0.317 nan 8.230 nan 0.000 0.447 77 G N 1.430 110.167 108.800 -0.105 0.000 2.371 77 G HA2 -0.249 3.767 3.960 0.094 0.000 0.299 77 G HA3 -0.249 3.767 3.960 0.094 0.000 0.299 77 G C -0.141 174.735 174.900 -0.039 0.000 1.014 77 G CA 0.183 45.261 45.100 -0.038 0.000 1.097 77 G HN 0.172 nan 8.290 nan 0.000 0.512 84 S N -0.238 115.436 115.700 -0.042 0.000 2.580 84 S HA 0.449 4.975 4.470 0.094 0.000 0.281 84 S C -0.442 174.134 174.600 -0.040 0.000 1.129 84 S CA 0.442 58.625 58.200 -0.029 0.000 0.862 84 S CB 1.086 64.274 63.200 -0.020 0.000 1.090 84 S HN 0.487 nan 8.310 nan 0.000 0.451 85 E N 2.173 122.367 120.200 -0.010 0.000 2.031 85 E HA -0.117 4.289 4.350 0.094 0.000 0.193 85 E C 2.484 179.114 176.600 0.051 0.000 0.994 85 E CA 1.545 57.942 56.400 -0.005 0.000 0.800 85 E CB -0.295 29.468 29.700 0.105 0.000 0.752 85 E HN 0.762 nan 8.360 nan 0.000 0.447 86 K N 1.073 121.533 120.400 0.100 0.000 2.113 86 K HA -0.241 4.135 4.320 0.094 0.000 0.208 86 K C 2.081 178.709 176.600 0.047 0.000 1.047 86 K CA 2.180 58.534 56.287 0.112 0.000 0.928 86 K CB -1.656 30.880 32.500 0.059 0.000 0.716 86 K HN 0.391 nan 8.250 nan 0.000 0.446 87 E N 0.514 120.706 120.200 -0.015 0.000 2.072 87 E HA 0.066 4.472 4.350 0.094 0.000 0.190 87 E C 2.090 178.620 176.600 -0.118 0.000 0.982 87 E CA 1.301 57.665 56.400 -0.060 0.000 0.803 87 E CB -0.674 28.985 29.700 -0.068 0.000 0.755 87 E HN 0.509 nan 8.360 nan 0.000 0.453 88 L N 0.784 121.911 121.223 -0.160 0.000 1.989 88 L HA -0.217 4.180 4.340 0.094 0.000 0.211 88 L C 2.482 179.236 176.870 -0.192 0.000 1.071 88 L CA 2.548 57.235 54.840 -0.254 0.000 0.749 88 L CB -0.640 41.249 42.059 -0.284 0.000 0.890 88 L HN 0.523 nan 8.230 nan 0.000 0.431 89 H N -0.175 118.956 119.070 0.102 0.000 2.389 89 H HA -0.072 4.540 4.556 0.093 0.000 0.299 89 H C 2.441 177.735 175.328 -0.057 0.000 1.081 89 H CA 1.779 57.904 56.048 0.128 0.000 1.345 89 H CB -0.433 29.412 29.762 0.138 0.000 1.393 89 H HN 0.448 nan 8.280 nan 0.000 0.520 90 R N 1.330 121.849 120.500 0.031 0.000 2.073 90 R HA -0.056 4.340 4.340 0.094 0.000 0.234 90 R C 2.767 179.008 176.300 -0.098 0.000 1.134 90 R CA 1.436 57.512 56.100 -0.040 0.000 0.952 90 R CB -1.781 28.496 30.300 -0.038 0.000 0.850 90 R HN 0.482 nan 8.270 nan 0.000 0.433 91 G N 0.107 108.805 108.800 -0.170 0.000 2.459 91 G HA2 -0.161 3.856 3.960 0.094 0.000 0.217 91 G HA3 -0.161 3.856 3.960 0.094 0.000 0.217 91 G C 1.542 176.306 174.900 -0.225 0.000 1.183 91 G CA 0.995 45.942 45.100 -0.255 0.000 0.776 91 G HN 0.468 nan 8.290 nan 0.000 0.552 92 F N 0.956 120.845 119.950 -0.101 0.000 2.171 92 F HA -0.028 4.556 4.527 0.095 0.000 0.300 92 F C 2.833 178.502 175.800 -0.218 0.000 1.090 92 F CA 1.289 59.215 58.000 -0.122 0.000 1.293 92 F CB -0.699 38.267 39.000 -0.056 0.000 1.013 92 F HN 0.250 nan 8.300 nan 0.000 0.486 93 Q N 0.350 120.077 119.800 -0.121 0.000 2.030 93 Q HA -0.291 4.106 4.340 0.094 0.000 0.204 93 Q C 2.354 178.305 176.000 -0.081 0.000 0.986 93 Q CA 2.059 57.757 55.803 -0.174 0.000 0.843 93 Q CB -0.326 28.309 28.738 -0.172 0.000 0.904 93 Q HN 0.549 nan 8.270 nan 0.000 0.420 94 Q N 0.229 119.989 119.800 -0.066 0.000 2.020 94 Q HA -0.183 4.213 4.340 0.094 0.000 0.202 94 Q C 2.294 178.277 176.000 -0.029 0.000 0.982 94 Q CA 1.475 57.249 55.803 -0.048 0.000 0.838 94 Q CB -0.267 28.438 28.738 -0.056 0.000 0.899 94 Q HN 0.577 nan 8.270 nan 0.000 0.423 95 L N 0.495 121.707 121.223 -0.018 0.000 2.081 95 L HA -0.211 4.186 4.340 0.094 0.000 0.212 95 L C 2.306 179.192 176.870 0.028 0.000 1.080 95 L CA 1.035 55.882 54.840 0.011 0.000 0.754 95 L CB -0.222 41.867 42.059 0.049 0.000 0.893 95 L HN 0.370 nan 8.230 nan 0.000 0.433 96 L N -0.429 120.815 121.223 0.035 0.000 2.217 96 L HA -0.184 4.212 4.340 0.094 0.000 0.211 96 L C 2.408 179.286 176.870 0.013 0.000 1.107 96 L CA 1.577 56.436 54.840 0.032 0.000 0.783 96 L CB -0.420 41.652 42.059 0.021 0.000 0.919 96 L HN 0.352 nan 8.230 nan 0.000 0.442 97 Q N -0.796 119.002 119.800 -0.004 0.000 2.083 97 Q HA -0.173 4.224 4.340 0.094 0.000 0.198 97 Q C 2.000 177.997 176.000 -0.006 0.000 0.969 97 Q CA 1.695 57.494 55.803 -0.007 0.000 0.838 97 Q CB -0.095 28.632 28.738 -0.018 0.000 0.900 97 Q HN 0.596 nan 8.270 nan 0.000 0.436 98 E N 0.909 121.101 120.200 -0.012 0.000 2.031 98 E HA -0.161 4.246 4.350 0.094 0.000 0.193 98 E C 1.889 178.475 176.600 -0.024 0.000 0.994 98 E CA 0.909 57.296 56.400 -0.022 0.000 0.800 98 E CB -0.123 29.561 29.700 -0.027 0.000 0.752 98 E HN 0.289 nan 8.360 nan 0.000 0.447 99 L N 0.600 121.817 121.223 -0.010 0.000 2.549 99 L HA -0.151 4.246 4.340 0.094 0.000 0.230 99 L C 2.361 179.242 176.870 0.020 0.000 1.162 99 L CA 0.908 55.748 54.840 -0.000 0.000 0.834 99 L CB -1.052 41.025 42.059 0.029 0.000 0.947 99 L HN 0.281 nan 8.230 nan 0.000 0.452 100 N N -0.375 118.335 118.700 0.017 0.000 2.392 100 N HA 0.052 4.848 4.740 0.094 0.000 0.177 100 N C 1.283 176.804 175.510 0.018 0.000 1.066 100 N CA 0.740 53.807 53.050 0.029 0.000 0.895 100 N CB -0.276 38.227 38.487 0.028 0.000 0.988 100 N HN 0.470 nan 8.380 nan 0.000 0.457 101 Q N 1.979 121.780 119.800 0.001 0.000 2.300 101 Q HA 0.348 4.744 4.340 0.094 0.000 0.262 101 Q C -2.296 173.702 176.000 -0.003 0.000 1.109 101 Q CA -1.570 54.231 55.803 -0.004 0.000 0.905 101 Q CB -0.688 28.040 28.738 -0.017 0.000 1.280 101 Q HN 0.590 nan 8.270 nan 0.000 0.426 102 P HA -0.023 nan 4.420 nan 0.000 0.254 102 P C -0.522 176.795 177.300 0.029 0.000 1.467 102 P CA 0.055 63.172 63.100 0.027 0.000 1.281 102 P CB -0.274 31.444 31.700 0.030 0.000 1.754 103 R N 3.425 123.937 120.500 0.020 0.000 2.387 103 R HA 0.019 4.416 4.340 0.094 0.000 0.321 103 R C -0.129 176.247 176.300 0.127 0.000 1.174 103 R CA -0.426 55.700 56.100 0.043 0.000 1.002 103 R CB -0.317 29.951 30.300 -0.053 0.000 1.028 103 R HN 0.274 nan 8.270 nan 0.000 0.482 104 D N 3.290 123.745 120.400 0.091 0.000 2.619 104 D HA 0.028 4.724 4.640 0.094 0.000 0.238 104 D C 0.797 177.158 176.300 0.101 0.000 1.158 104 D CA 0.244 54.292 54.000 0.081 0.000 1.251 104 D CB 0.454 41.283 40.800 0.049 0.000 1.134 104 D HN 0.649 nan 8.370 nan 0.000 0.487 105 G N -0.305 108.584 108.800 0.147 0.000 4.469 105 G HA2 0.122 4.139 3.960 0.094 0.000 0.183 105 G HA3 0.122 4.139 3.960 0.094 0.000 0.183 105 G C -0.414 174.406 174.900 -0.133 0.000 0.797 105 G CA -0.546 44.593 45.100 0.066 0.000 0.770 105 G HN 0.260 nan 8.290 nan 0.000 0.484 106 F N 0.464 120.326 119.950 -0.146 0.000 2.620 106 F HA 0.701 5.279 4.527 0.085 0.000 0.320 106 F C -0.119 175.541 175.800 -0.233 0.000 1.069 106 F CA -0.879 56.950 58.000 -0.285 0.000 0.953 106 F CB 2.063 40.916 39.000 -0.245 0.000 1.322 106 F HN -0.191 nan 8.300 nan 0.000 0.479 107 Q N 2.420 122.124 119.800 -0.160 0.000 2.771 107 Q HA 0.442 4.839 4.340 0.094 0.000 0.247 107 Q C -1.558 174.437 176.000 -0.009 0.000 0.986 107 Q CA -0.248 55.539 55.803 -0.026 0.000 0.713 107 Q CB 2.484 31.244 28.738 0.035 0.000 1.241 107 Q HN 0.564 nan 8.270 nan 0.000 0.488 108 L N 1.120 122.414 121.223 0.119 0.000 2.343 108 L HA 0.573 4.970 4.340 0.094 0.000 0.278 108 L C -1.075 175.950 176.870 0.258 0.000 0.996 108 L CA -0.254 54.722 54.840 0.226 0.000 0.831 108 L CB 1.562 43.774 42.059 0.254 0.000 1.232 108 L HN 0.301 nan 8.230 nan 0.000 0.413 109 S N 6.213 122.123 115.700 0.349 0.000 2.667 109 S HA 0.515 5.042 4.470 0.094 0.000 0.304 109 S C -0.869 173.933 174.600 0.336 0.000 1.135 109 S CA -0.416 57.973 58.200 0.315 0.000 1.125 109 S CB 1.220 64.614 63.200 0.324 0.000 0.996 109 S HN 0.491 nan 8.310 nan 0.000 0.474 110 L N 3.546 124.912 121.223 0.238 0.000 2.322 110 L HA 0.948 5.345 4.340 0.094 0.000 0.281 110 L C 0.006 176.908 176.870 0.053 0.000 1.014 110 L CA 0.138 55.069 54.840 0.153 0.000 0.815 110 L CB 1.158 43.280 42.059 0.105 0.000 1.247 110 L HN 0.662 nan 8.230 nan 0.000 0.421 111 G N 3.333 111.971 108.800 -0.270 0.000 2.690 111 G HA2 0.532 4.548 3.960 0.094 0.000 0.293 111 G HA3 0.532 4.548 3.960 0.094 0.000 0.293 111 G C -1.789 172.677 174.900 -0.723 0.000 1.399 111 G CA -0.671 44.123 45.100 -0.511 0.000 0.890 111 G HN 0.561 nan 8.290 nan 0.000 0.485 112 N N -0.616 117.936 118.700 -0.247 0.000 2.264 112 N HA 0.728 5.524 4.740 0.094 0.000 0.288 112 N C -1.051 174.540 175.510 0.134 0.000 1.094 112 N CA -0.287 52.719 53.050 -0.074 0.000 0.817 112 N CB 2.498 40.962 38.487 -0.039 0.000 1.604 112 N HN 0.994 nan 8.380 nan 0.000 0.473 113 A N 1.332 124.286 122.820 0.222 0.000 2.589 113 A HA 0.658 5.035 4.320 0.094 0.000 0.296 113 A C -1.954 175.736 177.584 0.175 0.000 1.062 113 A CA -0.469 51.694 52.037 0.210 0.000 0.686 113 A CB 1.185 20.455 19.000 0.450 0.000 1.282 113 A HN 0.409 nan 8.150 nan 0.000 0.404 114 L N 1.298 122.501 121.223 -0.035 0.000 2.341 114 L HA 0.744 5.140 4.340 0.094 0.000 0.278 114 L C -1.339 175.478 176.870 -0.088 0.000 1.005 114 L CA -0.012 54.873 54.840 0.076 0.000 0.818 114 L CB 1.258 43.372 42.059 0.090 0.000 1.259 114 L HN 0.582 nan 8.230 nan 0.000 0.418 115 F N 1.283 121.386 119.950 0.255 0.000 2.402 115 F HA 0.586 5.167 4.527 0.090 0.000 0.355 115 F C 0.434 176.460 175.800 0.378 0.000 1.123 115 F CA -0.721 57.452 58.000 0.289 0.000 1.021 115 F CB 1.803 41.009 39.000 0.343 0.000 1.160 115 F HN 0.399 nan 8.300 nan 0.000 0.451 116 T N -0.640 114.117 114.554 0.340 0.000 2.829 116 T HA 0.334 4.741 4.350 0.094 0.000 0.280 116 T C -0.529 174.329 174.700 0.264 0.000 0.999 116 T CA -0.997 61.304 62.100 0.335 0.000 0.983 116 T CB 1.670 70.628 68.868 0.150 0.000 0.968 116 T HN 0.358 nan 8.240 nan 0.000 0.446 117 D N 1.371 122.019 120.400 0.414 0.000 2.506 117 D HA 0.010 4.706 4.640 0.094 0.000 0.234 117 D C 1.464 177.833 176.300 0.114 0.000 1.143 117 D CA -0.280 53.893 54.000 0.289 0.000 0.871 117 D CB 0.500 41.521 40.800 0.368 0.000 1.190 117 D HN 0.591 nan 8.370 nan 0.000 0.459 118 L N 2.969 124.222 121.223 0.049 0.000 2.089 118 L HA -0.236 4.160 4.340 0.094 0.000 0.213 118 L C 2.283 179.186 176.870 0.056 0.000 1.079 118 L CA 1.270 56.129 54.840 0.032 0.000 0.758 118 L CB -0.731 41.338 42.059 0.017 0.000 0.891 118 L HN 0.492 nan 8.230 nan 0.000 0.433 119 V N -3.430 116.537 119.914 0.089 0.000 3.141 119 V HA 0.021 4.197 4.120 0.094 0.000 0.265 119 V C 1.144 177.332 176.094 0.156 0.000 1.126 119 V CA 0.021 62.395 62.300 0.122 0.000 1.141 119 V CB -0.674 31.227 31.823 0.130 0.000 0.743 119 V HN 0.078 nan 8.190 nan 0.000 0.492 120 V N 2.902 122.867 119.914 0.084 0.000 2.427 120 V HA 0.217 4.393 4.120 0.094 0.000 0.268 120 V C 0.285 176.257 176.094 -0.204 0.000 1.046 120 V CA -0.130 62.146 62.300 -0.040 0.000 0.970 120 V CB 0.789 32.620 31.823 0.013 0.000 1.001 120 V HN 0.504 nan 8.190 nan 0.000 0.476 121 D N 5.588 125.650 120.400 -0.563 0.000 2.317 121 D HA 0.247 4.944 4.640 0.094 0.000 0.252 121 D C -0.393 175.751 176.300 -0.260 0.000 1.174 121 D CA -0.245 53.525 54.000 -0.382 0.000 0.866 121 D CB 0.960 41.488 40.800 -0.454 0.000 1.127 121 D HN 0.379 nan 8.370 nan 0.000 0.467 122 L N 3.222 124.368 121.223 -0.129 0.000 2.334 122 L HA 0.206 4.603 4.340 0.094 0.000 0.277 122 L C 0.809 177.659 176.870 -0.034 0.000 1.075 122 L CA -0.857 53.944 54.840 -0.064 0.000 0.804 122 L CB 1.365 43.416 42.059 -0.014 0.000 1.174 122 L HN 0.218 nan 8.230 nan 0.000 0.438 123 Q N 1.786 121.585 119.800 -0.000 0.000 2.288 123 Q HA 0.057 4.454 4.340 0.094 0.000 0.258 123 Q C 0.203 176.236 176.000 0.054 0.000 0.957 123 Q CA -0.253 55.562 55.803 0.020 0.000 0.919 123 Q CB 1.559 30.310 28.738 0.022 0.000 1.185 123 Q HN 0.514 nan 8.270 nan 0.000 0.408 124 D N 1.359 121.770 120.400 0.018 0.000 2.116 124 D HA -0.174 4.522 4.640 0.094 0.000 0.193 124 D C 1.728 178.033 176.300 0.007 0.000 0.998 124 D CA 2.304 56.306 54.000 0.003 0.000 0.836 124 D CB -0.058 40.737 40.800 -0.008 0.000 0.951 124 D HN 0.714 nan 8.370 nan 0.000 0.449 125 T N -0.988 113.581 114.554 0.025 0.000 2.720 125 T HA -0.227 4.179 4.350 0.094 0.000 0.268 125 T C 1.982 176.705 174.700 0.038 0.000 1.037 125 T CA 0.963 63.077 62.100 0.023 0.000 1.144 125 T CB -0.783 68.105 68.868 0.034 0.000 0.864 125 T HN 0.105 nan 8.240 nan 0.000 0.444 126 F N 2.186 122.098 119.950 -0.064 0.000 2.113 126 F HA 0.068 4.650 4.527 0.091 0.000 0.297 126 F C 2.351 178.103 175.800 -0.080 0.000 1.103 126 F CA 0.594 58.549 58.000 -0.075 0.000 1.248 126 F CB -0.597 38.356 39.000 -0.078 0.000 0.999 126 F HN -0.011 nan 8.300 nan 0.000 0.475 127 V N -0.511 119.331 119.914 -0.120 0.000 2.332 127 V HA -0.303 3.874 4.120 0.094 0.000 0.248 127 V C 2.675 178.624 176.094 -0.240 0.000 1.055 127 V CA 2.022 64.185 62.300 -0.228 0.000 1.038 127 V CB -1.165 30.596 31.823 -0.103 0.000 0.651 127 V HN 0.521 nan 8.190 nan 0.000 0.450 128 S N -0.054 115.552 115.700 -0.157 0.000 2.355 128 S HA -0.169 4.357 4.470 0.094 0.000 0.222 128 S C 2.170 176.682 174.600 -0.147 0.000 1.031 128 S CA 1.604 59.728 58.200 -0.126 0.000 0.993 128 S CB -0.363 62.791 63.200 -0.078 0.000 0.859 128 S HN 0.606 nan 8.310 nan 0.000 0.453 129 A N 1.509 124.225 122.820 -0.173 0.000 1.940 129 A HA -0.055 4.322 4.320 0.094 0.000 0.219 129 A C 2.312 179.796 177.584 -0.166 0.000 1.176 129 A CA 1.757 53.698 52.037 -0.161 0.000 0.631 129 A CB -0.698 18.201 19.000 -0.169 0.000 0.814 129 A HN 0.641 nan 8.150 nan 0.000 0.446 130 M N -1.411 117.991 119.600 -0.330 0.000 2.086 130 M HA -0.156 4.380 4.480 0.094 0.000 0.261 130 M C 2.297 178.525 176.300 -0.121 0.000 1.067 130 M CA 2.064 57.195 55.300 -0.281 0.000 1.116 130 M CB -0.210 32.073 32.600 -0.528 0.000 1.348 130 M HN 0.340 nan 8.290 nan 0.000 0.407 131 K N -0.054 120.255 120.400 -0.152 0.000 2.062 131 K HA -0.052 4.325 4.320 0.094 0.000 0.205 131 K C 1.687 178.251 176.600 -0.060 0.000 1.051 131 K CA 1.697 57.926 56.287 -0.097 0.000 0.941 131 K CB -0.422 32.011 32.500 -0.112 0.000 0.719 131 K HN 0.198 nan 8.250 nan 0.000 0.440 132 T N 0.790 115.302 114.554 -0.070 0.000 2.732 132 T HA 0.014 4.420 4.350 0.094 0.000 0.261 132 T C 1.716 176.374 174.700 -0.071 0.000 1.040 132 T CA 1.360 63.423 62.100 -0.061 0.000 1.145 132 T CB -0.126 68.704 68.868 -0.063 0.000 0.866 132 T HN 0.080 nan 8.240 nan 0.000 0.427 133 L N -1.070 120.107 121.223 -0.076 0.000 2.162 133 L HA 0.098 4.495 4.340 0.094 0.000 0.205 133 L C 1.465 178.114 176.870 -0.369 0.000 1.086 133 L CA 1.178 55.906 54.840 -0.187 0.000 0.778 133 L CB -0.152 41.817 42.059 -0.150 0.000 0.928 133 L HN 0.286 nan 8.230 nan 0.000 0.446 134 Y N -1.371 118.896 120.300 -0.054 0.000 2.612 134 Y HA 0.282 4.885 4.550 0.089 0.000 0.250 134 Y C 0.308 176.182 175.900 -0.043 0.000 1.175 134 Y CA -0.929 57.145 58.100 -0.042 0.000 1.205 134 Y CB 0.414 38.831 38.460 -0.072 0.000 1.201 134 Y HN -0.142 nan 8.280 nan 0.000 0.532 135 L N -0.383 120.866 121.223 0.045 0.000 3.781 135 L HA -0.269 4.128 4.340 0.094 0.000 0.426 135 L C 0.347 177.246 176.870 0.049 0.000 1.197 135 L CA 0.821 55.681 54.840 0.032 0.000 0.907 135 L CB -2.167 39.914 42.059 0.037 0.000 1.812 135 L HN 0.250 nan 8.230 nan 0.000 0.956 136 A N -1.137 121.697 122.820 0.022 0.000 2.318 136 A HA 0.701 5.077 4.320 0.094 0.000 0.324 136 A C 0.182 177.695 177.584 -0.120 0.000 1.170 136 A CA -0.684 51.350 52.037 -0.006 0.000 0.810 136 A CB 0.936 19.925 19.000 -0.018 0.000 1.198 136 A HN 0.185 nan 8.150 nan 0.000 0.484 137 D N 0.969 121.271 120.400 -0.164 0.000 2.277 137 D HA 0.529 5.226 4.640 0.094 0.000 0.250 137 D C -0.425 175.449 176.300 -0.710 0.000 1.032 137 D CA 0.348 54.065 54.000 -0.471 0.000 0.947 137 D CB 1.772 42.194 40.800 -0.631 0.000 1.159 137 D HN 0.426 nan 8.370 nan 0.000 0.460 138 T N 1.145 115.206 114.554 -0.822 0.000 2.807 138 T HA 0.472 4.878 4.350 0.094 0.000 0.279 138 T C -0.583 173.582 174.700 -0.891 0.000 0.993 138 T CA -0.494 61.215 62.100 -0.652 0.000 0.970 138 T CB 0.392 69.083 68.868 -0.295 0.000 0.950 138 T HN 0.085 nan 8.240 nan 0.000 0.441 139 F N 3.463 123.168 119.950 -0.409 0.000 2.460 139 F HA 0.422 5.003 4.527 0.091 0.000 0.341 139 F C -2.390 173.297 175.800 -0.188 0.000 1.130 139 F CA -2.769 55.017 58.000 -0.355 0.000 0.962 139 F CB 1.476 40.128 39.000 -0.580 0.000 1.171 139 F HN 0.273 nan 8.300 nan 0.000 0.436 140 P HA 0.198 nan 4.420 nan 0.000 0.268 140 P C -0.640 176.653 177.300 -0.011 0.000 1.204 140 P CA 0.210 63.320 63.100 0.016 0.000 0.768 140 P CB 0.787 32.491 31.700 0.005 0.000 0.842 141 T N 1.944 116.423 114.554 -0.125 0.000 2.912 141 T HA 0.282 4.688 4.350 0.094 0.000 0.299 141 T C -0.390 174.065 174.700 -0.408 0.000 1.052 141 T CA -0.585 61.324 62.100 -0.319 0.000 0.996 141 T CB 0.906 69.410 68.868 -0.606 0.000 1.070 141 T HN 0.154 nan 8.240 nan 0.000 0.465 142 N N 1.646 120.176 118.700 -0.283 0.000 2.663 142 N HA 0.214 5.011 4.740 0.094 0.000 0.250 142 N C 0.100 175.531 175.510 -0.132 0.000 1.129 142 N CA -0.654 52.307 53.050 -0.148 0.000 0.995 142 N CB -0.431 38.019 38.487 -0.063 0.000 1.324 142 N HN 0.438 nan 8.380 nan 0.000 0.512 143 F N 0.915 120.894 119.950 0.050 0.000 2.641 143 F HA 0.091 4.674 4.527 0.093 0.000 0.298 143 F C 1.818 177.634 175.800 0.027 0.000 1.146 143 F CA 0.324 58.347 58.000 0.038 0.000 1.464 143 F CB 0.180 39.208 39.000 0.047 0.000 1.101 143 F HN 0.388 nan 8.300 nan 0.000 0.585 144 R N 0.035 120.637 120.500 0.170 0.000 2.323 144 R HA -0.016 4.380 4.340 0.094 0.000 0.198 144 R C -0.077 176.268 176.300 0.076 0.000 0.988 144 R CA 0.403 56.569 56.100 0.109 0.000 1.041 144 R CB -0.815 29.532 30.300 0.079 0.000 0.926 144 R HN 0.197 nan 8.270 nan 0.000 0.476 145 D N -0.363 120.081 120.400 0.073 0.000 2.513 145 D HA 0.190 4.886 4.640 0.094 0.000 0.295 145 D C 0.348 176.683 176.300 0.057 0.000 1.202 145 D CA -0.143 53.884 54.000 0.045 0.000 0.849 145 D CB 0.618 41.428 40.800 0.017 0.000 1.116 145 D HN -0.243 nan 8.370 nan 0.000 0.502 146 S N 0.950 116.697 115.700 0.078 0.000 2.427 146 S HA -0.309 4.218 4.470 0.094 0.000 0.231 146 S C 2.206 176.836 174.600 0.050 0.000 1.045 146 S CA 1.734 59.986 58.200 0.086 0.000 1.154 146 S CB -0.551 62.686 63.200 0.061 0.000 1.093 146 S HN 0.658 nan 8.310 nan 0.000 0.422 147 A N 1.497 124.333 122.820 0.027 0.000 1.915 147 A HA -0.158 4.218 4.320 0.094 0.000 0.220 147 A C 2.366 179.950 177.584 0.000 0.000 1.198 147 A CA 2.356 54.399 52.037 0.010 0.000 0.647 147 A CB -1.702 17.301 19.000 0.005 0.000 0.825 147 A HN 0.610 nan 8.150 nan 0.000 0.456 148 G N -1.159 107.640 108.800 -0.001 0.000 2.421 148 G HA2 0.032 4.048 3.960 0.094 0.000 0.216 148 G HA3 0.032 4.048 3.960 0.094 0.000 0.216 148 G C 1.764 176.644 174.900 -0.032 0.000 1.171 148 G CA 1.514 46.604 45.100 -0.016 0.000 0.775 148 G HN 0.933 nan 8.290 nan 0.000 0.543 149 A N 0.360 123.163 122.820 -0.027 0.000 1.930 149 A HA 0.073 4.450 4.320 0.094 0.000 0.217 149 A C 2.344 179.894 177.584 -0.056 0.000 1.175 149 A CA 1.818 53.817 52.037 -0.064 0.000 0.627 149 A CB -0.379 18.602 19.000 -0.033 0.000 0.815 149 A HN 0.399 nan 8.150 nan 0.000 0.443 150 M N -0.614 118.978 119.600 -0.013 0.000 2.117 150 M HA -0.178 4.359 4.480 0.094 0.000 0.262 150 M C 2.169 178.432 176.300 -0.062 0.000 1.065 150 M CA 2.302 57.581 55.300 -0.034 0.000 1.114 150 M CB -0.159 32.435 32.600 -0.009 0.000 1.361 150 M HN 0.445 nan 8.290 nan 0.000 0.408 151 K N -0.285 120.087 120.400 -0.046 0.000 2.097 151 K HA -0.227 4.149 4.320 0.094 0.000 0.205 151 K C 2.052 178.620 176.600 -0.052 0.000 1.050 151 K CA 1.580 57.840 56.287 -0.044 0.000 0.938 151 K CB -0.187 32.294 32.500 -0.032 0.000 0.718 151 K HN 0.504 nan 8.250 nan 0.000 0.442 152 Q N 0.661 120.422 119.800 -0.064 0.000 2.050 152 Q HA -0.170 4.227 4.340 0.094 0.000 0.202 152 Q C 1.990 177.949 176.000 -0.068 0.000 0.980 152 Q CA 1.726 57.494 55.803 -0.057 0.000 0.840 152 Q CB -0.050 28.651 28.738 -0.063 0.000 0.898 152 Q HN 0.404 nan 8.270 nan 0.000 0.424 153 I N 1.025 121.467 120.570 -0.213 0.000 2.163 153 I HA -0.273 3.954 4.170 0.094 0.000 0.240 153 I C 1.980 178.037 176.117 -0.101 0.000 1.081 153 I CA 0.890 61.960 61.300 -0.382 0.000 1.353 153 I CB -0.471 37.140 38.000 -0.649 0.000 1.054 153 I HN 0.253 nan 8.210 nan 0.000 0.407 154 N N 1.065 119.710 118.700 -0.092 0.000 2.104 154 N HA -0.199 4.597 4.740 0.094 0.000 0.190 154 N C 1.436 176.915 175.510 -0.052 0.000 1.024 154 N CA 1.635 54.647 53.050 -0.064 0.000 0.853 154 N CB -0.573 37.879 38.487 -0.059 0.000 1.008 154 N HN 0.336 nan 8.380 nan 0.000 0.424 155 D N -0.279 120.103 120.400 -0.030 0.000 2.117 155 D HA -0.152 4.544 4.640 0.094 0.000 0.197 155 D C 1.815 178.112 176.300 -0.006 0.000 0.987 155 D CA 0.727 54.712 54.000 -0.024 0.000 0.829 155 D CB -0.305 40.487 40.800 -0.013 0.000 0.961 155 D HN 0.321 nan 8.370 nan 0.000 0.460 156 Y N 1.025 121.279 120.300 -0.077 0.000 2.145 156 Y HA -0.202 4.403 4.550 0.092 0.000 0.286 156 Y C 2.073 177.926 175.900 -0.077 0.000 1.145 156 Y CA 1.097 59.164 58.100 -0.054 0.000 1.148 156 Y CB -0.451 38.022 38.460 0.021 0.000 0.981 156 Y HN -0.161 nan 8.280 nan 0.000 0.507 157 V N 0.657 120.467 119.914 -0.172 0.000 2.295 157 V HA -0.330 3.846 4.120 0.094 0.000 0.246 157 V C 2.732 178.556 176.094 -0.449 0.000 1.049 157 V CA 1.869 63.874 62.300 -0.491 0.000 1.024 157 V CB -1.703 29.902 31.823 -0.364 0.000 0.648 157 V HN 0.567 nan 8.190 nan 0.000 0.447 158 A N -0.024 122.640 122.820 -0.261 0.000 1.908 158 A HA -0.308 4.068 4.320 0.094 0.000 0.218 158 A C 2.364 179.823 177.584 -0.208 0.000 1.181 158 A CA 2.404 54.318 52.037 -0.205 0.000 0.627 158 A CB -0.549 18.371 19.000 -0.135 0.000 0.818 158 A HN 0.559 nan 8.150 nan 0.000 0.445 159 K N -0.947 119.326 120.400 -0.211 0.000 2.026 159 K HA -0.208 4.168 4.320 0.094 0.000 0.208 159 K C 2.081 178.553 176.600 -0.212 0.000 1.048 159 K CA 1.603 57.781 56.287 -0.183 0.000 0.929 159 K CB -0.218 32.188 32.500 -0.158 0.000 0.713 159 K HN 0.425 nan 8.250 nan 0.000 0.439 160 Q N -0.028 119.567 119.800 -0.342 0.000 2.170 160 Q HA -0.092 4.305 4.340 0.094 0.000 0.203 160 Q C 1.741 177.666 176.000 -0.126 0.000 0.976 160 Q CA 1.854 57.504 55.803 -0.255 0.000 0.858 160 Q CB -0.177 28.342 28.738 -0.365 0.000 0.907 160 Q HN 0.565 nan 8.270 nan 0.000 0.433 161 T N -3.504 110.931 114.554 -0.198 0.000 3.206 161 T HA 0.331 4.737 4.350 0.094 0.000 0.253 161 T C 0.869 175.483 174.700 -0.144 0.000 1.042 161 T CA 0.699 62.731 62.100 -0.113 0.000 0.931 161 T CB -0.021 68.759 68.868 -0.147 0.000 1.029 161 T HN 0.329 nan 8.240 nan 0.000 0.564 162 K N 0.118 120.439 120.400 -0.130 0.000 3.130 162 K HA -0.096 4.281 4.320 0.094 0.000 0.282 162 K C 1.727 178.234 176.600 -0.156 0.000 1.145 162 K CA 1.576 57.789 56.287 -0.124 0.000 0.831 162 K CB -2.827 29.611 32.500 -0.103 0.000 1.226 162 K HN 2.159 nan 8.250 nan 0.000 0.478 163 G N -3.347 105.349 108.800 -0.172 0.000 2.176 163 G HA2 -0.219 3.798 3.960 0.094 0.000 0.232 163 G HA3 -0.219 3.798 3.960 0.094 0.000 0.232 163 G C 1.275 176.048 174.900 -0.213 0.000 0.986 163 G CA 0.929 45.929 45.100 -0.168 0.000 0.643 163 G HN 1.337 nan 8.290 nan 0.000 0.522 164 K N -0.461 119.757 120.400 -0.304 0.000 2.103 164 K HA 0.321 4.697 4.320 0.094 0.000 0.204 164 K C 1.309 177.778 176.600 -0.218 0.000 1.052 164 K CA 1.246 57.266 56.287 -0.446 0.000 0.945 164 K CB 0.045 31.963 32.500 -0.971 0.000 0.722 164 K HN 0.622 nan 8.250 nan 0.000 0.443 165 I N 2.208 122.689 120.570 -0.148 0.000 2.412 165 I HA 0.238 4.464 4.170 0.094 0.000 0.279 165 I C -0.373 175.678 176.117 -0.111 0.000 1.063 165 I CA -0.818 60.439 61.300 -0.071 0.000 1.193 165 I CB 1.229 39.214 38.000 -0.025 0.000 1.370 165 I HN -0.030 nan 8.210 nan 0.000 0.479 166 V N 1.353 121.219 119.914 -0.081 0.000 2.881 166 V HA 0.564 4.740 4.120 0.094 0.000 0.316 166 V C 0.159 176.221 176.094 -0.054 0.000 1.070 166 V CA -0.683 61.569 62.300 -0.080 0.000 0.976 166 V CB 1.691 33.469 31.823 -0.075 0.000 1.038 166 V HN 0.745 nan 8.190 nan 0.000 0.446 167 D N 0.347 120.715 120.400 -0.053 0.000 2.689 167 D HA -0.195 4.502 4.640 0.094 0.000 0.237 167 D C 0.720 177.001 176.300 -0.032 0.000 1.148 167 D CA 1.057 55.033 54.000 -0.040 0.000 0.656 167 D CB -0.431 40.349 40.800 -0.034 0.000 1.050 167 D HN 0.755 nan 8.370 nan 0.000 0.426 168 L N -0.269 120.935 121.223 -0.032 0.000 1.990 168 L HA -0.095 4.302 4.340 0.094 0.000 0.213 168 L C 0.919 177.785 176.870 -0.006 0.000 1.072 168 L CA 1.898 56.734 54.840 -0.007 0.000 0.755 168 L CB 0.006 42.071 42.059 0.010 0.000 0.889 168 L HN 0.281 nan 8.230 nan 0.000 0.432 169 L N -0.105 121.106 121.223 -0.019 0.000 2.307 169 L HA 0.238 4.635 4.340 0.094 0.000 0.282 169 L C 0.975 177.832 176.870 -0.022 0.000 1.051 169 L CA -0.252 54.577 54.840 -0.019 0.000 0.804 169 L CB 1.190 43.234 42.059 -0.026 0.000 1.197 169 L HN 0.046 nan 8.230 nan 0.000 0.431 170 K N 1.122 121.509 120.400 -0.020 0.000 2.399 170 K HA 0.243 4.620 4.320 0.094 0.000 0.196 170 K C -0.317 176.273 176.600 -0.017 0.000 1.103 170 K CA 0.118 56.393 56.287 -0.021 0.000 0.986 170 K CB 0.695 33.181 32.500 -0.024 0.000 0.952 170 K HN 0.509 nan 8.250 nan 0.000 0.541 171 N N 1.292 119.983 118.700 -0.015 0.000 2.629 171 N HA 0.136 4.932 4.740 0.094 0.000 0.277 171 N C -1.773 173.731 175.510 -0.011 0.000 1.188 171 N CA -0.261 52.782 53.050 -0.012 0.000 0.835 171 N CB 1.909 40.387 38.487 -0.014 0.000 1.420 171 N HN 0.009 nan 8.380 nan 0.000 0.542 172 L N 1.533 122.755 121.223 -0.002 0.000 2.268 172 L HA 0.294 4.691 4.340 0.094 0.000 0.289 172 L C 0.440 177.308 176.870 -0.003 0.000 1.064 172 L CA -0.186 54.655 54.840 0.001 0.000 0.824 172 L CB -0.016 42.064 42.059 0.036 0.000 1.202 172 L HN 0.592 nan 8.230 nan 0.000 0.433 173 D N 3.455 123.839 120.400 -0.026 0.000 2.458 173 D HA 0.215 4.911 4.640 0.094 0.000 0.243 173 D C 0.718 177.003 176.300 -0.025 0.000 1.146 173 D CA 0.279 54.263 54.000 -0.027 0.000 0.877 173 D CB 0.628 41.403 40.800 -0.041 0.000 1.176 173 D HN 0.739 nan 8.370 nan 0.000 0.461 174 S N 1.204 116.904 115.700 0.001 0.000 2.580 174 S HA 0.129 4.656 4.470 0.094 0.000 0.266 174 S C 0.808 175.412 174.600 0.007 0.000 1.354 174 S CA 0.243 58.457 58.200 0.023 0.000 1.008 174 S CB 0.224 63.442 63.200 0.029 0.000 0.898 174 S HN 0.848 nan 8.310 nan 0.000 0.555 175 N N -0.749 117.976 118.700 0.041 0.000 2.741 175 N HA -0.182 4.614 4.740 0.094 0.000 0.250 175 N C 0.079 175.573 175.510 -0.028 0.000 1.115 175 N CA 0.159 53.231 53.050 0.035 0.000 0.724 175 N CB -1.672 36.828 38.487 0.022 0.000 1.090 175 N HN 0.979 nan 8.380 nan 0.000 0.558 176 A N -0.100 122.634 122.820 -0.143 0.000 2.425 176 A HA 0.389 4.765 4.320 0.094 0.000 0.242 176 A C 1.333 178.727 177.584 -0.315 0.000 1.077 176 A CA -0.048 51.740 52.037 -0.415 0.000 0.781 176 A CB 0.684 19.092 19.000 -0.988 0.000 1.020 176 A HN 0.087 nan 8.150 nan 0.000 0.494 177 V N 1.314 121.092 119.914 -0.226 0.000 2.743 177 V HA 0.127 4.304 4.120 0.094 0.000 0.237 177 V C 0.208 176.336 176.094 0.058 0.000 1.113 177 V CA 0.802 63.098 62.300 -0.007 0.000 1.141 177 V CB 0.110 31.938 31.823 0.008 0.000 0.873 177 V HN 0.568 nan 8.190 nan 0.000 0.486 178 V N 2.126 122.021 119.914 -0.031 0.000 2.686 178 V HA 0.521 4.697 4.120 0.094 0.000 0.306 178 V C -1.326 174.794 176.094 0.043 0.000 1.065 178 V CA -0.391 61.964 62.300 0.092 0.000 0.894 178 V CB 2.493 34.361 31.823 0.075 0.000 1.004 178 V HN 0.134 nan 8.190 nan 0.000 0.424 179 I N 5.045 125.734 120.570 0.199 0.000 2.410 179 I HA 0.475 4.702 4.170 0.094 0.000 0.286 179 I C -0.225 176.097 176.117 0.343 0.000 1.009 179 I CA -0.380 61.041 61.300 0.203 0.000 1.111 179 I CB 1.667 39.784 38.000 0.195 0.000 1.262 179 I HN 0.679 nan 8.210 nan 0.000 0.443 180 M N 8.306 128.062 119.600 0.260 0.000 2.238 180 M HA 0.618 5.155 4.480 0.094 0.000 0.350 180 M C -1.017 175.456 176.300 0.288 0.000 1.138 180 M CA -0.563 54.901 55.300 0.272 0.000 1.040 180 M CB 1.460 34.173 32.600 0.190 0.000 1.639 180 M HN 0.397 nan 8.290 nan 0.000 0.451 181 V N 2.890 123.017 119.914 0.355 0.000 2.604 181 V HA 0.678 4.854 4.120 0.094 0.000 0.305 181 V C -1.197 175.070 176.094 0.288 0.000 1.043 181 V CA -0.672 61.848 62.300 0.367 0.000 0.888 181 V CB 1.771 33.895 31.823 0.503 0.000 0.995 181 V HN 0.964 nan 8.190 nan 0.000 0.429 182 N N 3.397 122.251 118.700 0.256 0.000 2.410 182 N HA 0.504 5.301 4.740 0.094 0.000 0.287 182 N C -1.804 173.817 175.510 0.186 0.000 1.044 182 N CA -0.275 52.845 53.050 0.118 0.000 0.881 182 N CB 2.478 41.089 38.487 0.207 0.000 1.405 182 N HN 0.946 nan 8.380 nan 0.000 0.490 183 Y N 2.101 122.525 120.300 0.207 0.000 2.512 183 Y HA 0.772 5.375 4.550 0.090 0.000 0.348 183 Y C -0.994 175.024 175.900 0.196 0.000 0.990 183 Y CA -1.241 56.952 58.100 0.154 0.000 1.033 183 Y CB 1.489 40.034 38.460 0.142 0.000 1.259 183 Y HN 0.348 nan 8.280 nan 0.000 0.461 184 I N 3.523 124.332 120.570 0.399 0.000 2.685 184 I HA 0.481 4.708 4.170 0.094 0.000 0.289 184 I C -2.267 174.171 176.117 0.536 0.000 1.292 184 I CA -0.812 60.743 61.300 0.424 0.000 1.050 184 I CB 1.548 39.745 38.000 0.328 0.000 1.301 184 I HN 0.757 nan 8.210 nan 0.000 0.425 185 F N 8.726 128.900 119.950 0.374 0.000 2.522 185 F HA 0.767 5.354 4.527 0.100 0.000 0.324 185 F C -1.878 174.163 175.800 0.401 0.000 1.077 185 F CA -0.759 57.431 58.000 0.316 0.000 0.944 185 F CB 1.699 40.809 39.000 0.182 0.000 1.175 185 F HN 0.364 nan 8.300 nan 0.000 0.468 186 F N 5.693 125.063 119.950 -0.966 0.000 2.596 186 F HA 0.543 5.143 4.527 0.122 0.000 0.311 186 F C -1.707 173.528 175.800 -0.941 0.000 1.116 186 F CA -0.681 56.930 58.000 -0.648 0.000 0.957 186 F CB 1.525 40.460 39.000 -0.109 0.000 1.250 186 F HN 0.553 nan 8.300 nan 0.000 0.444 187 K N 4.982 124.634 120.400 -1.246 0.000 2.636 187 K HA 0.725 5.102 4.320 0.094 0.000 0.286 187 K C -2.196 173.808 176.600 -0.993 0.000 1.100 187 K CA -0.335 55.422 56.287 -0.883 0.000 0.991 187 K CB 1.115 33.346 32.500 -0.448 0.000 1.323 187 K HN 0.883 nan 8.250 nan 0.000 0.478 188 A N 3.533 125.654 122.820 -1.165 0.000 2.384 188 A HA 0.633 5.009 4.320 0.094 0.000 0.312 188 A C -1.079 176.095 177.584 -0.682 0.000 1.113 188 A CA -0.891 50.468 52.037 -1.130 0.000 0.779 188 A CB 1.132 19.003 19.000 -1.881 0.000 1.307 188 A HN 0.645 nan 8.150 nan 0.000 0.436 189 K N 0.662 120.749 120.400 -0.521 0.000 2.298 189 K HA 0.188 4.565 4.320 0.094 0.000 0.280 189 K C -1.043 175.505 176.600 -0.086 0.000 1.032 189 K CA 0.157 56.288 56.287 -0.260 0.000 0.958 189 K CB 0.768 33.178 32.500 -0.151 0.000 0.978 189 K HN 0.666 nan 8.250 nan 0.000 0.472 190 W N 1.541 122.890 121.300 0.082 0.000 2.112 190 W HA -0.019 4.697 4.660 0.094 0.000 0.349 190 W C 1.770 178.279 176.519 -0.017 0.000 1.289 190 W CA -0.119 57.238 57.345 0.020 0.000 1.256 190 W CB 0.353 29.793 29.460 -0.034 0.000 1.148 190 W HN 0.741 nan 8.180 nan 0.000 0.590 191 E N 0.080 120.440 120.200 0.267 0.000 2.051 191 E HA -0.197 4.209 4.350 0.094 0.000 0.192 191 E C 0.587 177.217 176.600 0.050 0.000 0.991 191 E CA 1.169 57.644 56.400 0.124 0.000 0.799 191 E CB 0.068 29.822 29.700 0.089 0.000 0.748 191 E HN 0.269 nan 8.360 nan 0.000 0.449 192 T N 0.062 114.615 114.554 -0.001 0.000 2.786 192 T HA 0.320 4.727 4.350 0.094 0.000 0.283 192 T C -0.581 174.026 174.700 -0.154 0.000 0.992 192 T CA -0.771 61.262 62.100 -0.112 0.000 0.954 192 T CB 1.552 70.286 68.868 -0.223 0.000 0.934 192 T HN 0.002 nan 8.240 nan 0.000 0.440 193 S N 3.408 119.054 115.700 -0.090 0.000 2.589 193 S HA 0.452 4.979 4.470 0.094 0.000 0.265 193 S C -0.524 173.966 174.600 -0.184 0.000 1.342 193 S CA -0.272 57.906 58.200 -0.036 0.000 1.005 193 S CB 0.051 63.255 63.200 0.007 0.000 0.909 193 S HN 0.612 nan 8.310 nan 0.000 0.555 194 F N 1.800 121.769 119.950 0.031 0.000 2.427 194 F HA 0.291 4.873 4.527 0.092 0.000 0.346 194 F C 0.951 176.759 175.800 0.013 0.000 1.120 194 F CA -0.804 57.193 58.000 -0.005 0.000 1.033 194 F CB 0.717 39.719 39.000 0.003 0.000 1.126 194 F HN 0.552 nan 8.300 nan 0.000 0.462 195 N N 3.522 122.328 118.700 0.176 0.000 2.429 195 N HA -0.081 4.715 4.740 0.094 0.000 0.271 195 N C 1.482 177.130 175.510 0.230 0.000 1.272 195 N CA -0.070 53.058 53.050 0.129 0.000 0.921 195 N CB 0.298 38.845 38.487 0.101 0.000 1.128 195 N HN 0.873 nan 8.380 nan 0.000 0.481 196 H N 1.881 121.008 119.070 0.094 0.000 2.560 196 H HA -0.048 4.564 4.556 0.094 0.000 0.283 196 H C 1.409 176.770 175.328 0.055 0.000 1.028 196 H CA 0.835 56.928 56.048 0.074 0.000 1.221 196 H CB 0.104 29.902 29.762 0.061 0.000 1.363 196 H HN 0.510 nan 8.280 nan 0.000 0.594 197 K N 1.420 122.038 120.400 0.363 0.000 2.393 197 K HA 0.233 4.609 4.320 0.094 0.000 0.193 197 K C 2.030 178.696 176.600 0.109 0.000 1.026 197 K CA 0.434 56.813 56.287 0.155 0.000 1.064 197 K CB -0.094 32.512 32.500 0.176 0.000 0.833 197 K HN 0.591 nan 8.250 nan 0.000 0.521 198 G N -0.028 108.851 108.800 0.132 0.000 2.921 198 G HA2 0.114 4.130 3.960 0.094 0.000 0.213 198 G HA3 0.114 4.130 3.960 0.094 0.000 0.213 198 G C 0.550 175.511 174.900 0.102 0.000 1.143 198 G CA 0.380 45.545 45.100 0.110 0.000 0.764 198 G HN 0.390 nan 8.290 nan 0.000 0.542 199 T N 1.204 115.814 114.554 0.093 0.000 2.799 199 T HA 0.422 4.828 4.350 0.094 0.000 0.296 199 T C -0.343 174.388 174.700 0.052 0.000 0.947 199 T CA 0.384 62.521 62.100 0.061 0.000 1.141 199 T CB 1.344 70.243 68.868 0.052 0.000 0.891 199 T HN 0.277 nan 8.240 nan 0.000 0.533 200 Q N 1.975 121.810 119.800 0.058 0.000 2.345 200 Q HA 0.273 4.669 4.340 0.094 0.000 0.275 200 Q C -1.002 175.022 176.000 0.039 0.000 1.063 200 Q CA -0.725 55.105 55.803 0.044 0.000 0.819 200 Q CB 2.104 30.873 28.738 0.052 0.000 1.356 200 Q HN 0.703 nan 8.270 nan 0.000 0.418 201 E N 2.153 122.368 120.200 0.025 0.000 2.417 201 E HA -0.006 4.401 4.350 0.094 0.000 0.261 201 E C -0.878 175.735 176.600 0.021 0.000 1.000 201 E CA 0.655 57.069 56.400 0.023 0.000 0.919 201 E CB 0.733 30.441 29.700 0.013 0.000 0.955 201 E HN 0.398 nan 8.360 nan 0.000 0.455 202 Q N 2.460 122.280 119.800 0.032 0.000 2.633 202 Q HA 0.250 4.647 4.340 0.094 0.000 0.292 202 Q C -1.302 174.721 176.000 0.039 0.000 1.089 202 Q CA -1.055 54.762 55.803 0.023 0.000 0.811 202 Q CB 1.421 30.169 28.738 0.015 0.000 1.472 202 Q HN 0.501 nan 8.270 nan 0.000 0.464 203 D N 0.747 121.158 120.400 0.017 0.000 2.304 203 D HA 0.293 4.989 4.640 0.094 0.000 0.250 203 D C -1.545 174.785 176.300 0.050 0.000 1.107 203 D CA 0.318 54.294 54.000 -0.040 0.000 0.885 203 D CB 0.433 41.144 40.800 -0.149 0.000 1.192 203 D HN 0.210 nan 8.370 nan 0.000 0.436 204 F N 3.163 123.034 119.950 -0.131 0.000 2.507 204 F HA 0.294 4.878 4.527 0.095 0.000 0.328 204 F C -1.094 174.662 175.800 -0.074 0.000 1.136 204 F CA -0.873 57.130 58.000 0.006 0.000 0.930 204 F CB 0.828 39.849 39.000 0.035 0.000 1.166 204 F HN 0.202 nan 8.300 nan 0.000 0.436 205 Y N 6.354 126.403 120.300 -0.419 0.000 2.691 205 Y HA 0.231 4.837 4.550 0.093 0.000 0.338 205 Y C 1.095 176.879 175.900 -0.193 0.000 1.148 205 Y CA -0.562 57.405 58.100 -0.222 0.000 1.430 205 Y CB 0.255 38.593 38.460 -0.204 0.000 1.303 205 Y HN 0.452 nan 8.280 nan 0.000 0.499 206 V N 0.878 120.895 119.914 0.172 0.000 2.453 206 V HA -0.214 3.963 4.120 0.094 0.000 0.252 206 V C 1.157 177.334 176.094 0.137 0.000 1.068 206 V CA 2.181 64.627 62.300 0.243 0.000 1.070 206 V CB -0.786 31.167 31.823 0.218 0.000 0.664 206 V HN 0.834 nan 8.190 nan 0.000 0.461 207 T N -6.056 108.568 114.554 0.116 0.000 2.787 207 T HA 0.603 5.010 4.350 0.094 0.000 0.297 207 T C 0.915 175.689 174.700 0.123 0.000 1.221 207 T CA 0.084 62.241 62.100 0.094 0.000 1.006 207 T CB 1.458 70.371 68.868 0.075 0.000 1.328 207 T HN 0.097 nan 8.240 nan 0.000 0.509 208 S N -0.639 115.114 115.700 0.088 0.000 2.469 208 S HA 0.254 4.781 4.470 0.094 0.000 0.238 208 S C 1.827 176.500 174.600 0.122 0.000 0.998 208 S CA 1.798 60.057 58.200 0.097 0.000 0.957 208 S CB -0.923 62.300 63.200 0.038 0.000 0.764 208 S HN 1.123 nan 8.310 nan 0.000 0.514 209 E N -0.100 120.153 120.200 0.088 0.000 2.372 209 E HA 0.289 4.696 4.350 0.094 0.000 0.201 209 E C 0.856 177.483 176.600 0.045 0.000 0.938 209 E CA 0.592 57.030 56.400 0.063 0.000 0.944 209 E CB -0.362 29.364 29.700 0.042 0.000 0.937 209 E HN 0.419 nan 8.360 nan 0.000 0.495 210 T N 1.290 115.873 114.554 0.048 0.000 2.744 210 T HA 0.561 4.967 4.350 0.094 0.000 0.291 210 T C -0.491 174.203 174.700 -0.010 0.000 0.957 210 T CA -0.242 61.872 62.100 0.025 0.000 1.002 210 T CB 1.285 70.179 68.868 0.044 0.000 0.919 210 T HN 0.145 nan 8.240 nan 0.000 0.468 211 V N 4.181 124.049 119.914 -0.077 0.000 2.628 211 V HA 0.706 4.882 4.120 0.094 0.000 0.306 211 V C -0.271 175.774 176.094 -0.081 0.000 1.045 211 V CA -0.698 61.489 62.300 -0.188 0.000 0.905 211 V CB 2.082 33.691 31.823 -0.357 0.000 0.997 211 V HN 0.679 nan 8.190 nan 0.000 0.436 212 V N 3.607 123.504 119.914 -0.029 0.000 3.007 212 V HA 0.608 4.785 4.120 0.094 0.000 0.311 212 V C -0.621 175.488 176.094 0.025 0.000 1.120 212 V CA -1.078 61.231 62.300 0.016 0.000 0.980 212 V CB 2.584 34.439 31.823 0.054 0.000 1.033 212 V HN 0.748 nan 8.190 nan 0.000 0.429 213 R N 2.441 122.943 120.500 0.005 0.000 2.254 213 R HA 0.655 5.051 4.340 0.094 0.000 0.318 213 R C -0.629 175.680 176.300 0.016 0.000 1.031 213 R CA -0.230 55.876 56.100 0.010 0.000 0.905 213 R CB 1.304 31.601 30.300 -0.005 0.000 1.050 213 R HN 0.718 nan 8.270 nan 0.000 0.456 214 V N 0.052 119.988 119.914 0.037 0.000 2.841 214 V HA 0.604 4.781 4.120 0.094 0.000 0.310 214 V C -2.577 173.541 176.094 0.041 0.000 1.090 214 V CA -2.729 59.583 62.300 0.020 0.000 0.930 214 V CB 2.669 34.479 31.823 -0.022 0.000 1.014 214 V HN 0.538 nan 8.190 nan 0.000 0.425 215 P HA 0.203 nan 4.420 nan 0.000 0.269 215 P C -0.643 176.684 177.300 0.044 0.000 1.252 215 P CA 0.192 63.313 63.100 0.036 0.000 0.780 215 P CB 0.573 32.290 31.700 0.029 0.000 0.829 216 M N 4.897 124.528 119.600 0.052 0.000 2.063 216 M HA 0.304 4.841 4.480 0.094 0.000 0.348 216 M C 0.571 176.890 176.300 0.032 0.000 1.180 216 M CA -0.290 55.048 55.300 0.063 0.000 1.059 216 M CB 0.666 33.332 32.600 0.110 0.000 1.544 216 M HN 0.319 nan 8.290 nan 0.000 0.447 217 M N 1.953 121.493 119.600 -0.100 0.000 2.202 217 M HA 0.398 4.934 4.480 0.094 0.000 0.316 217 M C 0.410 176.604 176.300 -0.177 0.000 1.138 217 M CA 0.009 55.171 55.300 -0.230 0.000 1.151 217 M CB 1.224 33.424 32.600 -0.666 0.000 1.422 217 M HN 0.736 nan 8.290 nan 0.000 0.471 218 S N 0.838 116.488 115.700 -0.084 0.000 2.567 218 S HA 0.783 5.309 4.470 0.094 0.000 0.270 218 S C -1.149 173.531 174.600 0.133 0.000 1.152 218 S CA -1.157 56.996 58.200 -0.078 0.000 0.835 218 S CB 2.567 65.648 63.200 -0.198 0.000 1.115 218 S HN 0.885 nan 8.310 nan 0.000 0.459 219 R N 0.799 121.323 120.500 0.039 0.000 3.262 219 R HA 0.196 4.592 4.340 0.094 0.000 0.270 219 R C -1.794 174.513 176.300 0.012 0.000 1.147 219 R CA -0.112 56.018 56.100 0.051 0.000 1.189 219 R CB 1.281 31.611 30.300 0.049 0.000 1.271 219 R HN 0.925 nan 8.270 nan 0.000 0.447 220 E N 3.524 123.693 120.200 -0.052 0.000 2.259 220 E HA 0.213 4.620 4.350 0.094 0.000 0.281 220 E C -1.054 175.488 176.600 -0.098 0.000 1.037 220 E CA 0.016 56.388 56.400 -0.046 0.000 0.854 220 E CB 0.978 30.644 29.700 -0.057 0.000 1.051 220 E HN 0.549 nan 8.360 nan 0.000 0.409 221 D N 2.230 122.545 120.400 -0.141 0.000 2.809 221 D HA 0.041 4.737 4.640 0.094 0.000 0.336 221 D C -1.585 174.433 176.300 -0.470 0.000 1.367 221 D CA -0.455 53.326 54.000 -0.365 0.000 0.815 221 D CB 0.877 41.334 40.800 -0.571 0.000 1.381 221 D HN 0.394 nan 8.370 nan 0.000 0.471 222 Q N 0.526 120.015 119.800 -0.518 0.000 2.243 222 Q HA 0.487 4.884 4.340 0.094 0.000 0.252 222 Q C -1.025 174.611 176.000 -0.607 0.000 0.909 222 Q CA -0.348 55.227 55.803 -0.380 0.000 0.922 222 Q CB 1.516 30.123 28.738 -0.218 0.000 1.215 222 Q HN 0.375 nan 8.270 nan 0.000 0.427 223 Y N -0.792 119.426 120.300 -0.137 0.000 2.553 223 Y HA 0.235 4.842 4.550 0.095 0.000 0.347 223 Y C -0.342 175.488 175.900 -0.118 0.000 1.019 223 Y CA -0.902 57.092 58.100 -0.178 0.000 1.032 223 Y CB 1.397 39.776 38.460 -0.135 0.000 1.284 223 Y HN 0.579 nan 8.280 nan 0.000 0.466 224 H N 1.632 120.642 119.070 -0.100 0.000 2.975 224 H HA 0.104 4.715 4.556 0.092 0.000 0.303 224 H C -1.267 173.768 175.328 -0.488 0.000 1.023 224 H CA 0.262 56.080 56.048 -0.382 0.000 1.473 224 H CB 0.417 29.740 29.762 -0.731 0.000 1.498 224 H HN 0.578 nan 8.280 nan 0.000 0.549 225 Y N 3.801 124.003 120.300 -0.163 0.000 2.545 225 Y HA 0.479 5.085 4.550 0.094 0.000 0.348 225 Y C -1.891 174.148 175.900 0.232 0.000 1.002 225 Y CA -1.307 56.787 58.100 -0.011 0.000 1.039 225 Y CB 1.344 39.827 38.460 0.038 0.000 1.271 225 Y HN 0.538 nan 8.280 nan 0.000 0.467 226 L N 5.278 126.101 121.223 -0.666 0.000 2.549 226 L HA 0.534 4.930 4.340 0.094 0.000 0.259 226 L C -2.463 173.973 176.870 -0.725 0.000 0.934 226 L CA -0.689 53.893 54.840 -0.430 0.000 0.865 226 L CB 2.056 44.095 42.059 -0.034 0.000 1.352 226 L HN 0.665 nan 8.230 nan 0.000 0.410 227 L N 4.146 125.141 121.223 -0.380 0.000 2.313 227 L HA 0.508 4.905 4.340 0.094 0.000 0.273 227 L C -0.798 176.023 176.870 -0.082 0.000 1.028 227 L CA -0.030 54.685 54.840 -0.208 0.000 0.871 227 L CB 0.650 42.697 42.059 -0.019 0.000 1.242 227 L HN 0.632 nan 8.230 nan 0.000 0.434 228 D N 3.821 124.178 120.400 -0.071 0.000 2.359 228 D HA 0.222 4.918 4.640 0.094 0.000 0.250 228 D C 1.320 177.644 176.300 0.040 0.000 1.264 228 D CA 0.399 54.421 54.000 0.036 0.000 0.911 228 D CB 1.176 42.070 40.800 0.157 0.000 1.056 228 D HN 0.673 nan 8.370 nan 0.000 0.499 229 R N 3.761 124.281 120.500 0.034 0.000 2.148 229 R HA -0.159 4.237 4.340 0.094 0.000 0.223 229 R C 1.830 178.152 176.300 0.036 0.000 1.088 229 R CA 1.574 57.692 56.100 0.030 0.000 0.985 229 R CB -1.326 28.989 30.300 0.025 0.000 0.880 229 R HN 0.547 nan 8.270 nan 0.000 0.451 230 N N 0.453 119.178 118.700 0.042 0.000 2.039 230 N HA -0.052 4.744 4.740 0.094 0.000 0.193 230 N C 1.573 177.112 175.510 0.048 0.000 1.044 230 N CA 1.867 54.939 53.050 0.037 0.000 0.847 230 N CB -0.109 38.395 38.487 0.028 0.000 1.030 230 N HN 0.447 nan 8.380 nan 0.000 0.422 231 L N -0.976 120.295 121.223 0.079 0.000 2.509 231 L HA 0.183 4.579 4.340 0.094 0.000 0.222 231 L C 0.637 177.558 176.870 0.085 0.000 1.123 231 L CA 0.138 55.036 54.840 0.096 0.000 0.856 231 L CB -0.155 42.002 42.059 0.163 0.000 0.985 231 L HN 0.187 nan 8.230 nan 0.000 0.456 232 S N 0.181 115.921 115.700 0.066 0.000 3.866 232 S HA -0.155 4.371 4.470 0.094 0.000 0.427 232 S C -0.273 174.352 174.600 0.041 0.000 0.891 232 S CA 0.174 58.400 58.200 0.044 0.000 1.275 232 S CB -1.577 61.646 63.200 0.038 0.000 0.872 232 S HN 0.605 nan 8.310 nan 0.000 0.562 233 C N 1.662 120.977 119.300 0.025 0.000 3.170 233 C HA 0.843 5.360 4.460 0.094 0.000 0.319 233 C C -0.464 174.475 174.990 -0.084 0.000 1.260 233 C CA -1.261 57.754 59.018 -0.006 0.000 1.374 233 C CB 1.566 29.323 27.740 0.029 0.000 1.739 233 C HN 0.766 nan 8.230 nan 0.000 0.479 234 R N 1.263 121.708 120.500 -0.092 0.000 2.346 234 R HA 0.756 5.153 4.340 0.094 0.000 0.311 234 R C -1.147 175.062 176.300 -0.152 0.000 0.983 234 R CA -0.454 55.563 56.100 -0.138 0.000 0.880 234 R CB 1.874 32.186 30.300 0.020 0.000 1.100 234 R HN 0.665 nan 8.270 nan 0.000 0.453 235 V N 3.721 123.459 119.914 -0.294 0.000 2.448 235 V HA 0.398 4.575 4.120 0.094 0.000 0.295 235 V C -0.579 175.547 176.094 0.054 0.000 1.025 235 V CA -0.807 61.379 62.300 -0.189 0.000 0.859 235 V CB 1.810 33.297 31.823 -0.560 0.000 0.988 235 V HN 0.486 nan 8.190 nan 0.000 0.431 236 V N 4.019 124.041 119.914 0.179 0.000 2.604 236 V HA 0.922 5.098 4.120 0.094 0.000 0.305 236 V C 0.336 176.449 176.094 0.031 0.000 1.043 236 V CA 0.017 62.379 62.300 0.103 0.000 0.888 236 V CB 1.985 33.907 31.823 0.165 0.000 0.995 236 V HN 0.984 nan 8.190 nan 0.000 0.429 237 G N 4.850 113.526 108.800 -0.206 0.000 2.368 237 G HA2 0.585 4.601 3.960 0.094 0.000 0.320 237 G HA3 0.585 4.601 3.960 0.094 0.000 0.320 237 G C -1.222 173.671 174.900 -0.011 0.000 1.158 237 G CA -0.395 44.661 45.100 -0.074 0.000 0.912 237 G HN 0.865 nan 8.290 nan 0.000 0.456 238 V N 5.283 125.216 119.914 0.032 0.000 2.325 238 V HA 0.348 4.524 4.120 0.094 0.000 0.280 238 V C -1.985 174.135 176.094 0.043 0.000 1.016 238 V CA -1.607 60.657 62.300 -0.060 0.000 0.818 238 V CB 1.723 33.360 31.823 -0.310 0.000 1.019 238 V HN 0.694 nan 8.190 nan 0.000 0.434 239 P HA 0.213 nan 4.420 nan 0.000 0.271 239 P C -1.173 176.289 177.300 0.270 0.000 1.218 239 P CA -0.026 63.184 63.100 0.182 0.000 0.780 239 P CB 1.006 32.785 31.700 0.131 0.000 0.901 240 Y N -0.800 119.725 120.300 0.374 0.000 2.458 240 Y HA 0.377 4.982 4.550 0.091 0.000 0.322 240 Y C 1.571 177.573 175.900 0.170 0.000 1.259 240 Y CA -0.150 58.091 58.100 0.235 0.000 1.302 240 Y CB -0.073 38.465 38.460 0.131 0.000 1.314 240 Y HN 0.344 nan 8.280 nan 0.000 0.509 241 Q N 1.047 120.983 119.800 0.228 0.000 2.320 241 Q HA 0.465 4.862 4.340 0.094 0.000 0.262 241 Q C 0.543 176.770 176.000 0.377 0.000 1.225 241 Q CA 0.533 56.455 55.803 0.199 0.000 0.916 241 Q CB -0.890 27.896 28.738 0.081 0.000 1.417 241 Q HN 1.144 nan 8.270 nan 0.000 0.462 242 G N -0.162 108.834 108.800 0.327 0.000 2.217 242 G HA2 0.274 4.290 3.960 0.094 0.000 0.126 242 G HA3 0.274 4.290 3.960 0.094 0.000 0.126 242 G C 0.489 175.553 174.900 0.272 0.000 1.293 242 G CA 0.474 45.765 45.100 0.318 0.000 1.219 242 G HN 1.536 nan 8.290 nan 0.000 0.477 243 N N 0.075 118.932 118.700 0.262 0.000 2.205 243 N HA 0.746 5.542 4.740 0.094 0.000 0.201 243 N C 0.793 176.468 175.510 0.275 0.000 1.128 243 N CA 1.497 54.679 53.050 0.220 0.000 0.867 243 N CB 0.748 39.322 38.487 0.146 0.000 0.996 243 N HN 1.850 nan 8.380 nan 0.000 0.503 244 A N -0.198 122.857 122.820 0.393 0.000 2.327 244 A HA 0.656 5.033 4.320 0.094 0.000 0.283 244 A C 0.337 178.250 177.584 0.549 0.000 1.127 244 A CA -0.106 52.213 52.037 0.470 0.000 0.810 244 A CB 0.500 19.874 19.000 0.623 0.000 1.066 244 A HN 0.346 nan 8.150 nan 0.000 0.492 245 T N 0.162 115.007 114.554 0.484 0.000 2.916 245 T HA 0.632 5.039 4.350 0.094 0.000 0.305 245 T C -0.668 174.256 174.700 0.374 0.000 1.119 245 T CA 0.209 62.553 62.100 0.408 0.000 1.008 245 T CB 1.258 70.313 68.868 0.312 0.000 1.129 245 T HN 1.528 nan 8.240 nan 0.000 0.480 246 A N 4.063 127.038 122.820 0.258 0.000 2.305 246 A HA 0.827 5.204 4.320 0.094 0.000 0.322 246 A C -0.847 176.691 177.584 -0.077 0.000 1.187 246 A CA -0.635 51.471 52.037 0.115 0.000 0.825 246 A CB 0.449 19.542 19.000 0.154 0.000 1.164 246 A HN 0.809 nan 8.150 nan 0.000 0.498 247 L N 2.010 123.145 121.223 -0.147 0.000 2.333 247 L HA 0.547 4.944 4.340 0.094 0.000 0.280 247 L C -1.387 175.324 176.870 -0.265 0.000 1.004 247 L CA -0.187 54.612 54.840 -0.068 0.000 0.820 247 L CB 1.486 43.596 42.059 0.086 0.000 1.247 247 L HN 0.682 nan 8.230 nan 0.000 0.416 248 F N 3.710 123.742 119.950 0.138 0.000 2.449 248 F HA 0.517 5.104 4.527 0.100 0.000 0.342 248 F C -0.181 175.781 175.800 0.269 0.000 1.127 248 F CA -0.638 57.424 58.000 0.104 0.000 0.975 248 F CB 1.764 40.448 39.000 -0.526 0.000 1.146 248 F HN 0.183 nan 8.300 nan 0.000 0.444 249 I N 4.684 125.580 120.570 0.542 0.000 2.355 249 I HA 0.300 4.526 4.170 0.094 0.000 0.288 249 I C -0.918 175.498 176.117 0.498 0.000 0.999 249 I CA -0.513 60.990 61.300 0.340 0.000 1.163 249 I CB 1.578 39.643 38.000 0.108 0.000 1.316 249 I HN 0.375 nan 8.210 nan 0.000 0.454 250 L N 9.829 131.221 121.223 0.281 0.000 2.283 250 L HA 0.654 5.051 4.340 0.094 0.000 0.281 250 L C -2.452 174.443 176.870 0.041 0.000 1.033 250 L CA -1.702 53.194 54.840 0.093 0.000 0.848 250 L CB 0.594 42.397 42.059 -0.427 0.000 1.226 250 L HN 0.307 nan 8.230 nan 0.000 0.429 251 P HA 0.193 nan 4.420 nan 0.000 0.270 251 P C -0.751 176.563 177.300 0.022 0.000 1.223 251 P CA -0.234 62.910 63.100 0.074 0.000 0.785 251 P CB 0.608 32.377 31.700 0.115 0.000 0.923 252 S N 0.679 116.388 115.700 0.015 0.000 2.614 252 S HA 0.146 4.672 4.470 0.094 0.000 0.265 252 S C 0.126 174.723 174.600 -0.005 0.000 1.303 252 S CA -0.715 57.480 58.200 -0.009 0.000 1.000 252 S CB 0.037 63.236 63.200 -0.002 0.000 0.935 252 S HN 0.318 nan 8.310 nan 0.000 0.551 253 E N 0.742 120.926 120.200 -0.027 0.000 2.765 253 E HA 0.085 4.492 4.350 0.094 0.000 0.256 253 E C 1.409 178.007 176.600 -0.002 0.000 0.935 253 E CA 1.488 57.873 56.400 -0.026 0.000 0.954 253 E CB -0.427 29.247 29.700 -0.043 0.000 0.908 253 E HN 1.206 nan 8.360 nan 0.000 0.500 254 G N 3.745 112.551 108.800 0.009 0.000 2.187 254 G HA2 -0.313 3.704 3.960 0.094 0.000 0.261 254 G HA3 -0.313 3.704 3.960 0.094 0.000 0.261 254 G C 0.657 175.580 174.900 0.038 0.000 1.000 254 G CA 0.516 45.630 45.100 0.024 0.000 0.718 254 G HN 0.377 nan 8.290 nan 0.000 0.519 255 K N -0.961 119.467 120.400 0.046 0.000 2.414 255 K HA 0.355 4.731 4.320 0.094 0.000 0.204 255 K C 1.922 178.575 176.600 0.088 0.000 1.026 255 K CA 0.234 56.557 56.287 0.060 0.000 1.108 255 K CB 0.144 32.676 32.500 0.053 0.000 0.855 255 K HN 0.430 nan 8.250 nan 0.000 0.517 256 M N 1.554 121.213 119.600 0.098 0.000 2.065 256 M HA -0.223 4.313 4.480 0.094 0.000 0.259 256 M C 2.144 178.530 176.300 0.143 0.000 1.069 256 M CA 2.018 57.399 55.300 0.134 0.000 1.110 256 M CB -0.313 32.370 32.600 0.138 0.000 1.328 256 M HN 0.071 nan 8.290 nan 0.000 0.405 257 Q N 0.097 119.968 119.800 0.118 0.000 2.135 257 Q HA -0.252 4.145 4.340 0.094 0.000 0.204 257 Q C 2.127 178.193 176.000 0.111 0.000 0.981 257 Q CA 2.524 58.396 55.803 0.116 0.000 0.856 257 Q CB -0.604 28.185 28.738 0.086 0.000 0.902 257 Q HN 0.803 nan 8.270 nan 0.000 0.425 258 Q N -1.029 118.828 119.800 0.094 0.000 2.119 258 Q HA -0.106 4.290 4.340 0.094 0.000 0.201 258 Q C 1.824 177.885 176.000 0.102 0.000 0.972 258 Q CA 1.662 57.515 55.803 0.084 0.000 0.847 258 Q CB 0.103 28.882 28.738 0.068 0.000 0.903 258 Q HN 0.362 nan 8.270 nan 0.000 0.433 259 V N 1.084 121.076 119.914 0.131 0.000 2.379 259 V HA -0.214 3.963 4.120 0.094 0.000 0.245 259 V C 1.949 178.146 176.094 0.172 0.000 1.044 259 V CA 2.008 64.409 62.300 0.168 0.000 1.036 259 V CB -0.526 31.421 31.823 0.206 0.000 0.664 259 V HN 0.395 nan 8.190 nan 0.000 0.453 260 E N 0.576 120.889 120.200 0.189 0.000 2.058 260 E HA -0.250 4.157 4.350 0.094 0.000 0.194 260 E C 2.001 178.710 176.600 0.182 0.000 0.997 260 E CA 1.726 58.264 56.400 0.230 0.000 0.801 260 E CB -0.330 29.572 29.700 0.337 0.000 0.746 260 E HN 0.705 nan 8.360 nan 0.000 0.450 261 N N -0.109 118.673 118.700 0.136 0.000 2.289 261 N HA -0.103 4.693 4.740 0.094 0.000 0.184 261 N C 1.806 177.341 175.510 0.041 0.000 1.016 261 N CA 0.610 53.715 53.050 0.092 0.000 0.872 261 N CB -0.038 38.492 38.487 0.071 0.000 0.973 261 N HN 0.119 nan 8.380 nan 0.000 0.433 262 G N 0.556 109.372 108.800 0.028 0.000 2.712 262 G HA2 0.075 4.092 3.960 0.094 0.000 0.212 262 G HA3 0.075 4.092 3.960 0.094 0.000 0.212 262 G C 0.448 175.252 174.900 -0.161 0.000 1.142 262 G CA -0.261 44.813 45.100 -0.044 0.000 0.789 262 G HN 0.099 nan 8.290 nan 0.000 0.535 263 L N 2.404 123.545 121.223 -0.136 0.000 2.513 263 L HA 0.322 4.719 4.340 0.094 0.000 0.272 263 L C 0.474 176.871 176.870 -0.789 0.000 1.187 263 L CA 0.036 54.653 54.840 -0.373 0.000 0.895 263 L CB 0.431 42.439 42.059 -0.085 0.000 1.147 263 L HN 0.306 nan 8.230 nan 0.000 0.483 264 S N 0.857 115.779 115.700 -1.297 0.000 2.615 264 S HA 0.252 4.778 4.470 0.094 0.000 0.268 264 S C 0.251 174.296 174.600 -0.924 0.000 1.146 264 S CA -0.989 56.510 58.200 -1.168 0.000 0.818 264 S CB 1.421 64.352 63.200 -0.448 0.000 1.111 264 S HN 0.502 nan 8.310 nan 0.000 0.465 265 E N 0.998 121.059 120.200 -0.231 0.000 2.110 265 E HA -0.121 4.286 4.350 0.094 0.000 0.193 265 E C 2.009 178.510 176.600 -0.165 0.000 0.988 265 E CA 1.458 57.868 56.400 0.017 0.000 0.804 265 E CB -0.342 29.442 29.700 0.141 0.000 0.745 265 E HN 0.559 nan 8.360 nan 0.000 0.458 266 K N 0.579 120.854 120.400 -0.208 0.000 2.026 266 K HA -0.119 4.257 4.320 0.094 0.000 0.208 266 K C 2.334 178.719 176.600 -0.358 0.000 1.048 266 K CA 1.767 57.920 56.287 -0.223 0.000 0.929 266 K CB -0.960 31.431 32.500 -0.181 0.000 0.713 266 K HN 0.248 nan 8.250 nan 0.000 0.439 267 T N 1.414 115.656 114.554 -0.520 0.000 2.746 267 T HA -0.090 4.317 4.350 0.094 0.000 0.267 267 T C 1.699 175.720 174.700 -1.132 0.000 1.039 267 T CA 1.486 63.090 62.100 -0.826 0.000 1.142 267 T CB -0.390 67.913 68.868 -0.942 0.000 0.866 267 T HN 0.263 nan 8.240 nan 0.000 0.444 268 L N 1.932 122.638 121.223 -0.861 0.000 2.017 268 L HA -0.044 4.353 4.340 0.094 0.000 0.208 268 L C 2.900 179.551 176.870 -0.366 0.000 1.073 268 L CA 2.432 56.900 54.840 -0.621 0.000 0.745 268 L CB -1.102 40.808 42.059 -0.249 0.000 0.894 268 L HN 0.204 nan 8.230 nan 0.000 0.432 269 R N 0.416 120.753 120.500 -0.271 0.000 2.091 269 R HA -0.228 4.169 4.340 0.094 0.000 0.238 269 R C 2.399 178.579 176.300 -0.200 0.000 1.136 269 R CA 2.135 58.129 56.100 -0.176 0.000 0.959 269 R CB -1.445 28.776 30.300 -0.131 0.000 0.856 269 R HN 0.663 nan 8.270 nan 0.000 0.437 270 K N -1.161 119.074 120.400 -0.274 0.000 1.991 270 K HA -0.184 4.193 4.320 0.094 0.000 0.212 270 K C 2.118 178.616 176.600 -0.171 0.000 1.049 270 K CA 1.710 57.863 56.287 -0.223 0.000 0.932 270 K CB -0.301 32.036 32.500 -0.271 0.000 0.717 270 K HN 0.595 nan 8.250 nan 0.000 0.441 271 W N 1.413 122.489 121.300 -0.373 0.000 2.302 271 W HA -0.198 4.512 4.660 0.084 0.000 0.320 271 W C 2.063 178.011 176.519 -0.951 0.000 1.241 271 W CA 0.892 57.865 57.345 -0.620 0.000 1.264 271 W CB -1.140 27.950 29.460 -0.615 0.000 1.154 271 W HN 0.154 nan 8.180 nan 0.000 0.483 272 L N 0.204 121.174 121.223 -0.422 0.000 2.127 272 L HA -0.233 4.163 4.340 0.094 0.000 0.211 272 L C 2.574 179.316 176.870 -0.213 0.000 1.089 272 L CA 1.912 56.540 54.840 -0.353 0.000 0.757 272 L CB -1.168 40.825 42.059 -0.110 0.000 0.899 272 L HN -0.113 nan 8.230 nan 0.000 0.434 273 K N 0.086 120.383 120.400 -0.171 0.000 2.186 273 K HA 0.069 4.446 4.320 0.094 0.000 0.202 273 K C 1.663 178.227 176.600 -0.061 0.000 1.052 273 K CA 0.592 56.826 56.287 -0.088 0.000 0.965 273 K CB -0.035 32.421 32.500 -0.072 0.000 0.746 273 K HN 0.378 nan 8.250 nan 0.000 0.457 274 M N -0.080 119.466 119.600 -0.091 0.000 2.495 274 M HA 0.322 4.859 4.480 0.094 0.000 0.237 274 M C -0.096 176.252 176.300 0.079 0.000 1.131 274 M CA -0.049 55.242 55.300 -0.016 0.000 1.032 274 M CB 0.041 32.633 32.600 -0.014 0.000 1.513 274 M HN 0.092 nan 8.290 nan 0.000 0.488 275 F N 2.335 122.264 119.950 -0.035 0.000 2.572 275 F HA 0.046 4.627 4.527 0.090 0.000 0.370 275 F C 0.710 176.494 175.800 -0.027 0.000 1.103 275 F CA 0.070 58.038 58.000 -0.053 0.000 1.286 275 F CB 0.493 39.398 39.000 -0.159 0.000 1.105 275 F HN -0.040 nan 8.300 nan 0.000 0.583 276 K N 3.976 124.538 120.400 0.271 0.000 2.427 276 K HA 0.275 4.651 4.320 0.094 0.000 0.252 276 K C -0.865 175.871 176.600 0.228 0.000 0.931 276 K CA -1.022 55.386 56.287 0.202 0.000 0.793 276 K CB 2.251 34.856 32.500 0.176 0.000 1.211 276 K HN 0.507 nan 8.250 nan 0.000 0.426 277 K N 2.755 123.281 120.400 0.210 0.000 2.416 277 K HA 0.170 4.547 4.320 0.094 0.000 0.283 277 K C 0.078 176.742 176.600 0.107 0.000 1.037 277 K CA 0.013 56.396 56.287 0.159 0.000 0.995 277 K CB 0.544 33.108 32.500 0.105 0.000 0.938 277 K HN 0.198 nan 8.250 nan 0.000 0.475 278 R N 2.417 122.968 120.500 0.085 0.000 2.673 278 R HA 0.130 4.527 4.340 0.094 0.000 0.281 278 R C -0.872 175.416 176.300 -0.019 0.000 0.991 278 R CA -1.142 54.976 56.100 0.030 0.000 0.896 278 R CB 1.748 32.056 30.300 0.013 0.000 1.201 278 R HN 0.493 nan 8.270 nan 0.000 0.457 279 Q N 2.653 122.427 119.800 -0.044 0.000 2.281 279 Q HA 0.323 4.719 4.340 0.094 0.000 0.267 279 Q C -1.032 174.938 176.000 -0.050 0.000 1.053 279 Q CA 0.501 56.273 55.803 -0.051 0.000 0.905 279 Q CB 0.250 28.961 28.738 -0.045 0.000 1.195 279 Q HN 0.465 nan 8.270 nan 0.000 0.398 280 L N 2.897 124.133 121.223 0.021 0.000 2.388 280 L HA 0.487 4.883 4.340 0.094 0.000 0.264 280 L C -0.249 176.646 176.870 0.042 0.000 0.998 280 L CA -0.803 54.048 54.840 0.019 0.000 0.817 280 L CB 2.222 44.308 42.059 0.046 0.000 1.338 280 L HN 0.580 nan 8.230 nan 0.000 0.414 281 E N 2.699 122.878 120.200 -0.035 0.000 2.136 281 E HA 0.237 4.643 4.350 0.094 0.000 0.246 281 E C -1.094 175.369 176.600 -0.229 0.000 1.017 281 E CA -0.762 55.571 56.400 -0.111 0.000 0.883 281 E CB 0.809 30.484 29.700 -0.042 0.000 1.199 281 E HN 0.337 nan 8.360 nan 0.000 0.447 282 L N 4.472 125.568 121.223 -0.213 0.000 2.360 282 L HA 0.210 4.606 4.340 0.094 0.000 0.276 282 L C -1.538 175.091 176.870 -0.401 0.000 1.121 282 L CA 0.096 54.780 54.840 -0.260 0.000 0.845 282 L CB 0.181 42.000 42.059 -0.401 0.000 1.143 282 L HN 0.342 nan 8.230 nan 0.000 0.452 283 Y N 6.114 126.400 120.300 -0.023 0.000 2.338 283 Y HA 0.576 5.182 4.550 0.093 0.000 0.328 283 Y C -0.630 175.225 175.900 -0.075 0.000 0.965 283 Y CA -0.629 57.448 58.100 -0.039 0.000 1.208 283 Y CB 1.596 40.052 38.460 -0.007 0.000 1.132 283 Y HN 0.499 nan 8.280 nan 0.000 0.469 284 L N 6.990 128.125 121.223 -0.147 0.000 2.385 284 L HA 0.732 5.128 4.340 0.094 0.000 0.273 284 L C -2.864 173.866 176.870 -0.233 0.000 0.990 284 L CA -2.620 52.005 54.840 -0.359 0.000 0.821 284 L CB 2.011 43.635 42.059 -0.725 0.000 1.279 284 L HN 0.234 nan 8.230 nan 0.000 0.412 285 P HA 0.103 nan 4.420 nan 0.000 0.269 285 P C -1.548 175.886 177.300 0.224 0.000 1.209 285 P CA -0.163 63.010 63.100 0.121 0.000 0.776 285 P CB 0.409 32.214 31.700 0.174 0.000 0.876 286 K N 4.237 124.721 120.400 0.142 0.000 2.211 286 K HA 0.544 4.920 4.320 0.094 0.000 0.275 286 K C -0.892 175.825 176.600 0.196 0.000 1.024 286 K CA -0.383 55.938 56.287 0.058 0.000 0.887 286 K CB 0.078 32.581 32.500 0.005 0.000 1.084 286 K HN 0.486 nan 8.250 nan 0.000 0.463 287 F N -0.926 119.019 119.950 -0.008 0.000 2.858 287 F HA 0.432 5.007 4.527 0.080 0.000 0.319 287 F C -1.640 174.141 175.800 -0.031 0.000 1.166 287 F CA -1.079 56.904 58.000 -0.029 0.000 0.899 287 F CB 1.115 40.085 39.000 -0.050 0.000 1.332 287 F HN 0.187 nan 8.300 nan 0.000 0.461 288 S N 1.894 117.680 115.700 0.142 0.000 2.519 288 S HA 0.724 5.251 4.470 0.094 0.000 0.309 288 S C -1.208 173.464 174.600 0.120 0.000 1.100 288 S CA -0.563 57.657 58.200 0.033 0.000 1.059 288 S CB 1.381 64.602 63.200 0.035 0.000 1.008 288 S HN 0.787 nan 8.310 nan 0.000 0.478 289 I N 3.464 124.021 120.570 -0.020 0.000 2.545 289 I HA 0.569 4.796 4.170 0.094 0.000 0.292 289 I C -0.969 175.012 176.117 -0.227 0.000 1.040 289 I CA -0.548 60.667 61.300 -0.142 0.000 1.068 289 I CB 1.498 39.325 38.000 -0.288 0.000 1.251 289 I HN 0.820 nan 8.210 nan 0.000 0.424 290 E N 5.571 125.758 120.200 -0.021 0.000 2.393 290 E HA 0.805 5.212 4.350 0.094 0.000 0.273 290 E C -1.327 175.413 176.600 0.233 0.000 0.918 290 E CA -1.103 55.388 56.400 0.153 0.000 0.773 290 E CB 2.306 32.073 29.700 0.111 0.000 1.275 290 E HN 0.687 nan 8.360 nan 0.000 0.451 291 G N 0.459 109.446 108.800 0.312 0.000 2.719 291 G HA2 0.507 4.524 3.960 0.094 0.000 0.298 291 G HA3 0.507 4.524 3.960 0.094 0.000 0.298 291 G C -1.308 173.541 174.900 -0.084 0.000 1.433 291 G CA -0.709 44.497 45.100 0.177 0.000 1.034 291 G HN 0.337 nan 8.290 nan 0.000 0.517 292 S N 0.550 115.930 115.700 -0.533 0.000 2.561 292 S HA 0.703 5.230 4.470 0.094 0.000 0.303 292 S C -1.431 172.745 174.600 -0.707 0.000 1.110 292 S CA -0.398 57.575 58.200 -0.379 0.000 1.034 292 S CB 0.916 64.003 63.200 -0.188 0.000 1.010 292 S HN 0.503 nan 8.310 nan 0.000 0.482 293 Y N 0.809 121.159 120.300 0.082 0.000 2.477 293 Y HA 0.418 5.006 4.550 0.063 0.000 0.347 293 Y C -0.006 175.909 175.900 0.025 0.000 0.981 293 Y CA -1.107 57.018 58.100 0.041 0.000 1.033 293 Y CB 1.307 39.780 38.460 0.021 0.000 1.245 293 Y HN 0.368 nan 8.280 nan 0.000 0.455 294 Q N 3.638 123.511 119.800 0.120 0.000 2.571 294 Q HA 0.270 4.667 4.340 0.094 0.000 0.222 294 Q C 0.741 176.719 176.000 -0.036 0.000 1.167 294 Q CA -0.015 55.803 55.803 0.025 0.000 0.966 294 Q CB 0.926 29.651 28.738 -0.022 0.000 1.274 294 Q HN 0.900 nan 8.270 nan 0.000 0.552 295 L N 1.202 122.405 121.223 -0.034 0.000 2.261 295 L HA -0.221 4.176 4.340 0.094 0.000 0.216 295 L C 2.271 178.895 176.870 -0.409 0.000 1.114 295 L CA 1.056 55.815 54.840 -0.135 0.000 0.777 295 L CB -0.227 41.813 42.059 -0.031 0.000 0.910 295 L HN 0.518 nan 8.230 nan 0.000 0.440 296 E N 1.102 120.946 120.200 -0.594 0.000 2.338 296 E HA -0.226 4.181 4.350 0.094 0.000 0.197 296 E C 1.440 177.657 176.600 -0.638 0.000 1.007 296 E CA 1.084 56.764 56.400 -1.199 0.000 0.849 296 E CB -0.137 29.077 29.700 -0.810 0.000 0.774 296 E HN 0.501 nan 8.360 nan 0.000 0.506 297 K N 0.751 120.946 120.400 -0.341 0.000 2.400 297 K HA 0.047 4.423 4.320 0.094 0.000 0.194 297 K C 2.033 178.535 176.600 -0.164 0.000 1.033 297 K CA 0.851 57.019 56.287 -0.198 0.000 1.021 297 K CB 0.644 33.072 32.500 -0.119 0.000 0.808 297 K HN 0.191 nan 8.250 nan 0.000 0.505 298 V N -3.345 116.454 119.914 -0.193 0.000 3.250 298 V HA 0.080 4.257 4.120 0.094 0.000 0.240 298 V C 1.707 177.724 176.094 -0.128 0.000 1.275 298 V CA -0.039 62.168 62.300 -0.154 0.000 1.206 298 V CB -0.458 31.256 31.823 -0.182 0.000 0.976 298 V HN 0.032 nan 8.190 nan 0.000 0.467 299 L N 0.495 121.641 121.223 -0.129 0.000 2.079 299 L HA -0.049 4.347 4.340 0.094 0.000 0.210 299 L C -0.006 176.914 176.870 0.083 0.000 1.081 299 L CA 2.059 56.909 54.840 0.017 0.000 0.752 299 L CB -1.865 40.288 42.059 0.157 0.000 0.896 299 L HN 0.350 nan 8.230 nan 0.000 0.433 300 P HA -0.180 nan 4.420 nan 0.000 0.215 300 P C 1.803 179.138 177.300 0.059 0.000 1.153 300 P CA 1.846 65.005 63.100 0.098 0.000 0.853 300 P CB -0.051 31.687 31.700 0.062 0.000 0.788 301 S N -1.336 114.373 115.700 0.015 0.000 2.507 301 S HA -0.044 4.482 4.470 0.094 0.000 0.235 301 S C 1.545 176.155 174.600 0.017 0.000 0.988 301 S CA 0.842 59.047 58.200 0.007 0.000 0.944 301 S CB -1.279 61.908 63.200 -0.021 0.000 0.762 301 S HN 0.114 nan 8.310 nan 0.000 0.526 302 L N 0.362 121.605 121.223 0.034 0.000 2.640 302 L HA 0.416 4.813 4.340 0.094 0.000 0.230 302 L C 1.825 178.757 176.870 0.103 0.000 1.123 302 L CA 0.363 55.238 54.840 0.058 0.000 0.900 302 L CB -0.065 42.023 42.059 0.049 0.000 1.146 302 L HN 0.587 nan 8.230 nan 0.000 0.484 303 G N 0.677 109.533 108.800 0.093 0.000 2.253 303 G HA2 -0.213 3.804 3.960 0.094 0.000 0.209 303 G HA3 -0.213 3.804 3.960 0.094 0.000 0.209 303 G C 0.261 175.218 174.900 0.095 0.000 0.997 303 G CA -0.516 44.637 45.100 0.089 0.000 0.640 303 G HN 0.183 nan 8.290 nan 0.000 0.496 304 I N 3.278 123.928 120.570 0.134 0.000 2.276 304 I HA 0.371 4.597 4.170 0.094 0.000 0.290 304 I C 1.376 177.627 176.117 0.223 0.000 1.109 304 I CA 0.348 61.731 61.300 0.138 0.000 1.229 304 I CB 1.075 39.181 38.000 0.177 0.000 1.452 304 I HN 0.258 nan 8.210 nan 0.000 0.497 305 S N 2.074 117.859 115.700 0.141 0.000 2.807 305 S HA 0.037 4.564 4.470 0.094 0.000 0.247 305 S C 1.465 176.098 174.600 0.054 0.000 1.078 305 S CA -0.153 58.163 58.200 0.193 0.000 0.867 305 S CB -0.111 63.175 63.200 0.143 0.000 0.797 305 S HN 0.471 nan 8.310 nan 0.000 0.515 306 N N 2.535 121.201 118.700 -0.056 0.000 2.049 306 N HA -0.123 4.673 4.740 0.094 0.000 0.198 306 N C 1.682 176.985 175.510 -0.344 0.000 1.030 306 N CA 1.562 54.468 53.050 -0.239 0.000 0.870 306 N CB -1.144 37.261 38.487 -0.136 0.000 1.045 306 N HN 0.314 nan 8.380 nan 0.000 0.434 307 V N -0.240 119.436 119.914 -0.397 0.000 2.828 307 V HA -0.166 4.011 4.120 0.094 0.000 0.260 307 V C 0.512 176.256 176.094 -0.584 0.000 1.101 307 V CA 1.438 63.413 62.300 -0.542 0.000 1.123 307 V CB -0.540 30.855 31.823 -0.714 0.000 0.704 307 V HN 0.223 nan 8.190 nan 0.000 0.493 308 F N 0.480 120.361 119.950 -0.114 0.000 2.641 308 F HA 0.312 4.893 4.527 0.090 0.000 0.302 308 F C 1.097 176.834 175.800 -0.106 0.000 1.098 308 F CA 0.301 58.248 58.000 -0.089 0.000 1.318 308 F CB -0.407 38.560 39.000 -0.056 0.000 1.035 308 F HN 0.267 nan 8.300 nan 0.000 0.551 309 T N -3.801 110.702 114.554 -0.084 0.000 2.910 309 T HA 0.304 4.711 4.350 0.094 0.000 0.287 309 T C 1.231 175.849 174.700 -0.137 0.000 1.050 309 T CA -0.039 61.990 62.100 -0.119 0.000 1.011 309 T CB 1.506 70.208 68.868 -0.277 0.000 1.195 309 T HN -0.023 nan 8.240 nan 0.000 0.540 310 S N -0.003 115.684 115.700 -0.023 0.000 2.515 310 S HA -0.128 4.398 4.470 0.094 0.000 0.231 310 S C 1.301 175.923 174.600 0.036 0.000 0.987 310 S CA 0.659 58.868 58.200 0.016 0.000 0.936 310 S CB -0.925 62.312 63.200 0.061 0.000 0.766 310 S HN 0.969 nan 8.310 nan 0.000 0.528 311 H N 0.373 119.438 119.070 -0.008 0.000 2.524 311 H HA 0.659 5.272 4.556 0.095 0.000 0.299 311 H C 0.312 175.622 175.328 -0.030 0.000 1.074 311 H CA -0.168 55.870 56.048 -0.015 0.000 1.115 311 H CB -0.786 28.970 29.762 -0.010 0.000 1.522 311 H HN 0.398 nan 8.280 nan 0.000 0.543 312 A N 1.367 124.052 122.820 -0.226 0.000 2.440 312 A HA 0.075 4.452 4.320 0.094 0.000 0.251 312 A C -0.048 177.464 177.584 -0.120 0.000 1.089 312 A CA -0.249 51.656 52.037 -0.220 0.000 0.779 312 A CB 0.266 19.127 19.000 -0.230 0.000 1.022 312 A HN 0.413 nan 8.150 nan 0.000 0.492 313 D N 2.765 123.099 120.400 -0.109 0.000 2.479 313 D HA 0.342 5.038 4.640 0.094 0.000 0.218 313 D C -0.338 175.892 176.300 -0.116 0.000 1.131 313 D CA 0.038 53.989 54.000 -0.081 0.000 0.916 313 D CB 0.071 40.840 40.800 -0.052 0.000 1.022 313 D HN 0.398 nan 8.370 nan 0.000 0.515 314 L N 2.888 124.032 121.223 -0.131 0.000 3.154 314 L HA 0.083 4.479 4.340 0.094 0.000 0.266 314 L C 1.852 178.616 176.870 -0.177 0.000 1.300 314 L CA -0.201 54.528 54.840 -0.185 0.000 1.028 314 L CB 0.259 42.187 42.059 -0.218 0.000 1.412 314 L HN 0.260 nan 8.230 nan 0.000 0.564 315 S N -1.302 114.327 115.700 -0.119 0.000 2.440 315 S HA -0.137 4.390 4.470 0.094 0.000 0.238 315 S C 1.940 176.474 174.600 -0.110 0.000 1.010 315 S CA 1.112 59.257 58.200 -0.090 0.000 0.972 315 S CB -0.336 62.832 63.200 -0.053 0.000 0.774 315 S HN 0.528 nan 8.310 nan 0.000 0.501 316 G N 1.401 110.114 108.800 -0.145 0.000 2.448 316 G HA2 0.111 4.128 3.960 0.094 0.000 0.218 316 G HA3 0.111 4.128 3.960 0.094 0.000 0.218 316 G C 1.332 176.081 174.900 -0.252 0.000 1.135 316 G CA 0.627 45.646 45.100 -0.134 0.000 0.784 316 G HN 0.585 nan 8.290 nan 0.000 0.543 317 I N -0.585 119.702 120.570 -0.473 0.000 2.494 317 I HA 0.133 4.359 4.170 0.094 0.000 0.250 317 I C 1.101 177.042 176.117 -0.294 0.000 1.112 317 I CA 0.519 61.405 61.300 -0.690 0.000 1.438 317 I CB 0.278 37.766 38.000 -0.853 0.000 1.111 317 I HN 0.184 nan 8.210 nan 0.000 0.431 318 S N -0.021 115.551 115.700 -0.213 0.000 2.570 318 S HA 0.211 4.738 4.470 0.094 0.000 0.270 318 S C -0.117 174.433 174.600 -0.083 0.000 1.149 318 S CA -0.814 57.295 58.200 -0.152 0.000 0.837 318 S CB 1.098 64.191 63.200 -0.179 0.000 1.124 318 S HN 0.438 nan 8.310 nan 0.000 0.465 319 N N 0.995 119.667 118.700 -0.046 0.000 2.336 319 N HA 0.070 4.866 4.740 0.094 0.000 0.189 319 N C 0.017 175.617 175.510 0.150 0.000 1.113 319 N CA -0.342 52.730 53.050 0.037 0.000 0.858 319 N CB -0.137 38.378 38.487 0.047 0.000 0.970 319 N HN 0.569 nan 8.380 nan 0.000 0.471 320 H N 0.756 119.809 119.070 -0.029 0.000 2.582 320 H HA 0.067 4.679 4.556 0.094 0.000 0.345 320 H C 1.002 176.315 175.328 -0.025 0.000 1.104 320 H CA -0.338 55.699 56.048 -0.020 0.000 1.390 320 H CB 1.622 31.377 29.762 -0.012 0.000 1.461 320 H HN 0.277 nan 8.280 nan 0.000 0.551 321 S N 1.925 117.668 115.700 0.073 0.000 2.414 321 S HA -0.125 4.401 4.470 0.094 0.000 0.227 321 S C 0.902 175.516 174.600 0.023 0.000 1.022 321 S CA 0.581 58.798 58.200 0.028 0.000 0.958 321 S CB -0.051 63.152 63.200 0.004 0.000 0.797 321 S HN 0.549 nan 8.310 nan 0.000 0.493 322 N N 1.442 120.162 118.700 0.033 0.000 2.802 322 N HA 0.409 5.205 4.740 0.094 0.000 0.288 322 N C -1.078 174.448 175.510 0.027 0.000 1.268 322 N CA -0.162 52.902 53.050 0.025 0.000 1.035 322 N CB 0.173 38.674 38.487 0.022 0.000 1.353 322 N HN 0.425 nan 8.380 nan 0.000 0.522 323 I N 1.272 121.848 120.570 0.010 0.000 2.336 323 I HA 0.305 4.531 4.170 0.094 0.000 0.292 323 I C -0.479 175.606 176.117 -0.053 0.000 0.991 323 I CA -0.463 60.828 61.300 -0.015 0.000 1.227 323 I CB 0.606 38.583 38.000 -0.038 0.000 1.366 323 I HN 0.297 nan 8.210 nan 0.000 0.466 324 Q N 5.298 125.067 119.800 -0.051 0.000 2.575 324 Q HA 0.505 4.902 4.340 0.094 0.000 0.290 324 Q C -1.968 174.005 176.000 -0.044 0.000 0.963 324 Q CA -1.079 54.681 55.803 -0.073 0.000 0.783 324 Q CB 1.505 30.212 28.738 -0.052 0.000 1.467 324 Q HN 0.294 nan 8.270 nan 0.000 0.402 325 V N 2.858 122.746 119.914 -0.043 0.000 2.387 325 V HA 0.074 4.251 4.120 0.094 0.000 0.260 325 V C 0.697 176.879 176.094 0.146 0.000 1.054 325 V CA 0.339 62.670 62.300 0.052 0.000 0.967 325 V CB 0.672 32.529 31.823 0.057 0.000 1.036 325 V HN 0.925 nan 8.190 nan 0.000 0.481 326 S N 3.753 119.482 115.700 0.048 0.000 2.355 326 S HA 0.003 4.529 4.470 0.094 0.000 0.222 326 S C 0.572 175.185 174.600 0.022 0.000 1.031 326 S CA 0.945 59.145 58.200 -0.000 0.000 0.993 326 S CB 0.069 63.193 63.200 -0.128 0.000 0.859 326 S HN 0.848 nan 8.310 nan 0.000 0.453 327 E N -0.537 119.686 120.200 0.038 0.000 2.343 327 E HA 0.452 4.858 4.350 0.094 0.000 0.278 327 E C -1.334 175.337 176.600 0.118 0.000 0.910 327 E CA -0.210 56.213 56.400 0.040 0.000 0.757 327 E CB 2.213 31.910 29.700 -0.004 0.000 1.218 327 E HN 0.079 nan 8.360 nan 0.000 0.435 328 M N 3.480 123.150 119.600 0.116 0.000 2.007 328 M HA 0.312 4.848 4.480 0.094 0.000 0.285 328 M C -1.907 174.480 176.300 0.145 0.000 0.893 328 M CA -0.632 54.774 55.300 0.176 0.000 0.925 328 M CB 0.946 33.705 32.600 0.264 0.000 1.568 328 M HN 0.226 nan 8.290 nan 0.000 0.414 329 V N 3.636 123.652 119.914 0.170 0.000 2.439 329 V HA 0.375 4.551 4.120 0.094 0.000 0.282 329 V C -0.674 175.580 176.094 0.266 0.000 1.039 329 V CA -0.495 61.915 62.300 0.183 0.000 0.913 329 V CB 1.253 33.162 31.823 0.143 0.000 0.983 329 V HN 0.767 nan 8.190 nan 0.000 0.460 330 H N 3.994 123.175 119.070 0.185 0.000 2.609 330 H HA 0.627 5.069 4.556 -0.189 0.000 0.344 330 H C -0.714 174.775 175.328 0.268 0.000 1.040 330 H CA -0.678 55.506 56.048 0.226 0.000 1.216 330 H CB 1.410 31.303 29.762 0.219 0.000 1.529 330 H HN 0.637 nan 8.280 nan 0.000 0.519 331 K N 4.062 124.310 120.400 -0.253 0.000 2.507 331 K HA 0.754 5.131 4.320 0.094 0.000 0.252 331 K C -1.804 174.726 176.600 -0.117 0.000 0.943 331 K CA -0.847 55.371 56.287 -0.114 0.000 0.808 331 K CB 1.289 33.824 32.500 0.059 0.000 1.142 331 K HN 0.661 nan 8.250 nan 0.000 0.426 332 A N 3.251 126.109 122.820 0.063 0.000 2.343 332 A HA 0.699 5.075 4.320 0.094 0.000 0.316 332 A C -1.346 176.530 177.584 0.487 0.000 1.104 332 A CA -0.660 51.582 52.037 0.342 0.000 0.768 332 A CB 1.565 20.830 19.000 0.442 0.000 1.213 332 A HN 0.402 nan 8.150 nan 0.000 0.456 333 V N 2.723 122.908 119.914 0.451 0.000 2.623 333 V HA 0.575 4.752 4.120 0.094 0.000 0.304 333 V C -0.711 175.433 176.094 0.083 0.000 1.054 333 V CA -0.473 62.017 62.300 0.316 0.000 0.882 333 V CB 1.667 33.725 31.823 0.391 0.000 1.002 333 V HN 0.734 nan 8.190 nan 0.000 0.424 334 V N 4.018 123.845 119.914 -0.144 0.000 2.789 334 V HA 0.539 4.716 4.120 0.094 0.000 0.311 334 V C -0.576 175.346 176.094 -0.287 0.000 1.073 334 V CA -0.640 61.451 62.300 -0.349 0.000 0.921 334 V CB 2.445 34.009 31.823 -0.431 0.000 1.009 334 V HN 0.938 nan 8.190 nan 0.000 0.426 335 E N 2.610 122.645 120.200 -0.276 0.000 2.187 335 E HA 0.611 5.017 4.350 0.094 0.000 0.268 335 E C -1.491 174.943 176.600 -0.278 0.000 0.896 335 E CA -0.642 55.627 56.400 -0.218 0.000 0.766 335 E CB 2.703 32.367 29.700 -0.061 0.000 1.142 335 E HN 0.384 nan 8.360 nan 0.000 0.408 336 V N 4.600 124.268 119.914 -0.409 0.000 2.357 336 V HA 0.221 4.398 4.120 0.094 0.000 0.284 336 V C -0.076 175.915 176.094 -0.171 0.000 1.018 336 V CA -0.421 61.688 62.300 -0.319 0.000 0.841 336 V CB 1.098 32.550 31.823 -0.619 0.000 0.991 336 V HN 0.731 nan 8.190 nan 0.000 0.437 337 D N 3.104 123.498 120.400 -0.010 0.000 2.801 337 D HA 0.344 5.041 4.640 0.094 0.000 0.277 337 D C 0.283 176.744 176.300 0.268 0.000 1.125 337 D CA -0.579 53.459 54.000 0.062 0.000 1.102 337 D CB 1.909 42.721 40.800 0.021 0.000 1.400 337 D HN 0.242 nan 8.370 nan 0.000 0.601 338 E N -0.125 120.221 120.200 0.244 0.000 2.250 338 E HA 0.107 4.514 4.350 0.094 0.000 0.192 338 E C 0.221 177.070 176.600 0.415 0.000 0.986 338 E CA 0.133 56.777 56.400 0.406 0.000 0.849 338 E CB 0.005 29.876 29.700 0.286 0.000 0.797 338 E HN 0.277 nan 8.360 nan 0.000 0.482 339 S N 0.921 116.751 115.700 0.218 0.000 2.702 339 S HA 0.278 4.805 4.470 0.094 0.000 0.314 339 S C 0.324 175.023 174.600 0.165 0.000 1.244 339 S CA 0.490 58.764 58.200 0.123 0.000 1.058 339 S CB 0.404 63.618 63.200 0.023 0.000 0.783 339 S HN 0.366 nan 8.310 nan 0.000 0.503 340 G N 2.043 110.917 108.800 0.124 0.000 2.725 340 G HA2 0.496 4.513 3.960 0.094 0.000 0.288 340 G HA3 0.496 4.513 3.960 0.094 0.000 0.288 340 G C 0.541 175.469 174.900 0.047 0.000 1.399 340 G CA -0.594 44.585 45.100 0.133 0.000 0.859 340 G HN 0.483 nan 8.290 nan 0.000 0.479 341 T N 0.211 114.791 114.554 0.043 0.000 2.614 341 T HA 0.163 4.569 4.350 0.094 0.000 0.263 341 T C 1.770 176.470 174.700 0.001 0.000 1.055 341 T CA 2.065 64.176 62.100 0.018 0.000 1.162 341 T CB -0.337 68.548 68.868 0.029 0.000 0.863 341 T HN 0.904 nan 8.240 nan 0.000 0.414 342 R N 0.317 120.811 120.500 -0.010 0.000 2.691 342 R HA 0.840 5.236 4.340 0.094 0.000 0.259 342 R C 1.529 177.802 176.300 -0.045 0.000 1.048 342 R CA 0.001 56.084 56.100 -0.030 0.000 1.086 342 R CB -0.424 29.853 30.300 -0.039 0.000 1.166 342 R HN 0.322 nan 8.270 nan 0.000 0.526 343 A N -0.156 122.633 122.820 -0.052 0.000 2.178 343 A HA 0.424 4.801 4.320 0.094 0.000 0.218 343 A C 1.383 178.919 177.584 -0.080 0.000 1.157 343 A CA 1.523 53.523 52.037 -0.061 0.000 0.689 343 A CB -1.074 17.893 19.000 -0.055 0.000 0.787 343 A HN 2.753 nan 8.150 nan 0.000 0.465 344 A N -2.451 120.313 122.820 -0.093 0.000 1.848 344 A HA 0.398 4.774 4.320 0.094 0.000 0.241 344 A C 0.408 177.917 177.584 -0.126 0.000 1.341 344 A CA 0.936 52.894 52.037 -0.131 0.000 0.706 344 A CB -1.714 17.179 19.000 -0.178 0.000 1.189 344 A HN 2.545 nan 8.150 nan 0.000 0.259 345 A N 0.828 123.578 122.820 -0.116 0.000 2.402 345 A HA 1.077 5.454 4.320 0.094 0.000 0.295 345 A C 0.305 177.829 177.584 -0.100 0.000 1.001 345 A CA 1.019 52.992 52.037 -0.106 0.000 0.592 345 A CB -1.042 17.907 19.000 -0.084 0.000 1.404 345 A HN 3.017 nan 8.150 nan 0.000 0.493 346 A N -1.080 121.683 122.820 -0.095 0.000 5.868 346 A HA 0.451 4.827 4.320 0.094 0.000 0.338 346 A C 1.577 179.094 177.584 -0.112 0.000 1.815 346 A CA 3.781 55.759 52.037 -0.097 0.000 0.862 346 A CB -2.625 16.324 19.000 -0.084 0.000 1.325 346 A HN 3.821 nan 8.150 nan 0.000 0.427 347 T N -4.004 110.481 114.554 -0.116 0.000 0.541 347 T HA 0.463 4.869 4.350 0.094 0.000 0.774 347 T C 1.742 176.344 174.700 -0.163 0.000 0.992 347 T CA 2.632 64.655 62.100 -0.128 0.000 4.077 347 T CB -1.770 67.033 68.868 -0.108 0.000 2.303 347 T HN 3.337 nan 8.240 nan 0.000 0.398 348 G N -1.664 107.036 108.800 -0.165 0.000 4.686 348 G HA2 0.402 4.419 3.960 0.094 0.000 0.235 348 G HA3 0.402 4.419 3.960 0.094 0.000 0.235 348 G C 1.257 175.986 174.900 -0.284 0.000 1.589 348 G CA 1.468 46.450 45.100 -0.196 0.000 1.172 348 G HN 3.288 nan 8.290 nan 0.000 0.660 349 T N -1.771 112.530 114.554 -0.422 0.000 2.868 349 T HA 0.735 5.142 4.350 0.094 0.000 0.306 349 T C 1.112 175.454 174.700 -0.598 0.000 1.224 349 T CA -0.020 61.675 62.100 -0.675 0.000 1.012 349 T CB 1.819 69.868 68.868 -1.365 0.000 1.221 349 T HN 0.517 nan 8.240 nan 0.000 0.499 350 I N 0.082 120.320 120.570 -0.554 0.000 2.333 350 I HA 0.123 4.349 4.170 0.094 0.000 0.246 350 I C 0.973 176.934 176.117 -0.260 0.000 1.106 350 I CA 0.550 61.673 61.300 -0.295 0.000 1.411 350 I CB -0.200 37.717 38.000 -0.138 0.000 1.082 350 I HN 0.628 nan 8.210 nan 0.000 0.420 351 F N 1.517 121.395 119.950 -0.120 0.000 2.403 351 F HA 0.479 5.062 4.527 0.094 0.000 0.320 351 F C 0.335 176.007 175.800 -0.212 0.000 1.176 351 F CA -1.233 56.692 58.000 -0.125 0.000 1.206 351 F CB -0.342 38.602 39.000 -0.093 0.000 1.235 351 F HN -0.166 nan 8.300 nan 0.000 0.565 352 T N -0.689 113.967 114.554 0.169 0.000 2.861 352 T HA 0.562 4.969 4.350 0.094 0.000 0.287 352 T C -0.688 174.106 174.700 0.157 0.000 1.003 352 T CA -0.791 61.321 62.100 0.020 0.000 0.977 352 T CB 0.672 69.538 68.868 -0.003 0.000 0.996 352 T HN 0.539 nan 8.240 nan 0.000 0.448 353 F N 1.121 121.189 119.950 0.198 0.000 2.490 353 F HA 0.343 4.926 4.527 0.094 0.000 0.336 353 F C 1.986 177.821 175.800 0.058 0.000 1.178 353 F CA -0.912 57.156 58.000 0.113 0.000 1.301 353 F CB 0.811 39.867 39.000 0.094 0.000 1.175 353 F HN 0.449 nan 8.300 nan 0.000 0.593 354 R N 0.146 120.791 120.500 0.242 0.000 2.509 354 R HA 0.106 4.503 4.340 0.094 0.000 0.300 354 R C -0.070 176.279 176.300 0.082 0.000 0.985 354 R CA -0.140 56.035 56.100 0.124 0.000 1.092 354 R CB 0.494 30.842 30.300 0.080 0.000 1.237 354 R HN 0.638 nan 8.270 nan 0.000 0.546 355 S N 0.184 115.934 115.700 0.084 0.000 2.632 355 S HA 0.542 5.069 4.470 0.094 0.000 0.267 355 S C 0.507 175.131 174.600 0.040 0.000 1.276 355 S CA -0.887 57.322 58.200 0.016 0.000 0.998 355 S CB 1.611 64.771 63.200 -0.067 0.000 0.953 355 S HN 0.192 nan 8.310 nan 0.000 0.547 356 A N 1.486 124.315 122.820 0.015 0.000 2.425 356 A HA 0.388 4.765 4.320 0.094 0.000 0.242 356 A C 0.901 178.503 177.584 0.031 0.000 1.077 356 A CA -0.711 51.338 52.037 0.021 0.000 0.781 356 A CB -0.170 18.834 19.000 0.007 0.000 1.020 356 A HN 0.939 nan 8.150 nan 0.000 0.494 357 R N 2.022 122.543 120.500 0.036 0.000 2.643 357 R HA 0.307 4.704 4.340 0.094 0.000 0.270 357 R C -0.757 175.556 176.300 0.022 0.000 1.061 357 R CA -0.504 55.621 56.100 0.041 0.000 1.107 357 R CB -0.054 30.265 30.300 0.031 0.000 0.999 357 R HN 0.533 nan 8.270 nan 0.000 0.460 358 L N 2.303 123.541 121.223 0.024 0.000 2.559 358 L HA -0.076 4.321 4.340 0.094 0.000 0.282 358 L C 1.100 177.967 176.870 -0.005 0.000 1.232 358 L CA 0.324 55.167 54.840 0.006 0.000 0.885 358 L CB -0.157 41.906 42.059 0.005 0.000 1.131 358 L HN 0.776 nan 8.230 nan 0.000 0.498 359 N N 1.679 120.373 118.700 -0.011 0.000 2.497 359 N HA 0.020 4.816 4.740 0.094 0.000 0.268 359 N C -0.819 174.675 175.510 -0.027 0.000 1.171 359 N CA -0.277 52.763 53.050 -0.016 0.000 0.948 359 N CB 0.773 39.250 38.487 -0.017 0.000 1.069 359 N HN 0.518 nan 8.380 nan 0.000 0.460 360 S N 2.283 117.968 115.700 -0.026 0.000 2.457 360 S HA 0.136 4.662 4.470 0.094 0.000 0.289 360 S C -0.215 174.359 174.600 -0.044 0.000 1.163 360 S CA -0.595 57.584 58.200 -0.035 0.000 1.078 360 S CB 1.597 64.783 63.200 -0.024 0.000 0.987 360 S HN 0.632 nan 8.310 nan 0.000 0.482 361 Q N 2.086 121.840 119.800 -0.077 0.000 2.222 361 Q HA 0.406 4.803 4.340 0.094 0.000 0.252 361 Q C -0.491 175.462 176.000 -0.078 0.000 0.926 361 Q CA -0.738 55.007 55.803 -0.098 0.000 0.899 361 Q CB 0.961 29.586 28.738 -0.187 0.000 1.250 361 Q HN 0.525 nan 8.270 nan 0.000 0.441 362 R N 3.021 123.493 120.500 -0.046 0.000 2.229 362 R HA 0.378 4.774 4.340 0.094 0.000 0.328 362 R C -1.469 174.815 176.300 -0.026 0.000 1.009 362 R CA -0.476 55.629 56.100 0.007 0.000 0.864 362 R CB 0.553 30.878 30.300 0.042 0.000 1.085 362 R HN 0.447 nan 8.270 nan 0.000 0.453 363 L N 5.819 127.038 121.223 -0.006 0.000 2.377 363 L HA 0.375 4.771 4.340 0.094 0.000 0.270 363 L C -1.589 175.280 176.870 -0.001 0.000 0.991 363 L CA -0.514 54.286 54.840 -0.067 0.000 0.851 363 L CB 1.894 43.911 42.059 -0.070 0.000 1.218 363 L HN 0.333 nan 8.230 nan 0.000 0.420 364 V N 5.497 125.362 119.914 -0.083 0.000 2.357 364 V HA 0.370 4.547 4.120 0.094 0.000 0.284 364 V C -0.271 175.713 176.094 -0.184 0.000 1.018 364 V CA -0.297 61.999 62.300 -0.007 0.000 0.841 364 V CB 1.094 32.892 31.823 -0.041 0.000 0.991 364 V HN 0.491 nan 8.190 nan 0.000 0.437 365 F N 5.032 124.928 119.950 -0.089 0.000 2.605 365 F HA 0.275 4.861 4.527 0.098 0.000 0.352 365 F C 1.084 176.903 175.800 0.031 0.000 1.236 365 F CA -0.550 57.358 58.000 -0.153 0.000 1.267 365 F CB 0.014 38.678 39.000 -0.560 0.000 1.632 365 F HN 0.704 nan 8.300 nan 0.000 0.639 366 N N 1.470 120.174 118.700 0.007 0.000 2.282 366 N HA 0.148 4.944 4.740 0.094 0.000 0.240 366 N C -0.231 174.826 175.510 -0.755 0.000 1.182 366 N CA -0.578 52.376 53.050 -0.161 0.000 0.874 366 N CB 0.355 38.841 38.487 -0.001 0.000 1.126 366 N HN 0.528 nan 8.380 nan 0.000 0.516 367 R N -2.409 117.726 120.500 -0.608 0.000 2.752 367 R HA 0.601 4.998 4.340 0.094 0.000 0.271 367 R C -3.255 173.089 176.300 0.073 0.000 1.026 367 R CA -1.791 53.998 56.100 -0.519 0.000 0.901 367 R CB 0.046 30.218 30.300 -0.213 0.000 1.243 367 R HN -0.248 nan 8.270 nan 0.000 0.463 368 P HA -0.074 nan 4.420 nan 0.000 0.257 368 P C -1.273 176.265 177.300 0.395 0.000 1.162 368 P CA 0.602 63.892 63.100 0.316 0.000 0.762 368 P CB -0.055 31.763 31.700 0.196 0.000 0.753 369 F N 1.957 122.112 119.950 0.341 0.000 2.620 369 F HA 0.698 5.284 4.527 0.098 0.000 0.320 369 F C -1.237 174.776 175.800 0.356 0.000 1.069 369 F CA -1.657 56.574 58.000 0.384 0.000 0.953 369 F CB 0.864 40.236 39.000 0.619 0.000 1.322 369 F HN -0.052 nan 8.300 nan 0.000 0.479 370 L N 2.663 124.208 121.223 0.537 0.000 2.352 370 L HA 0.652 5.048 4.340 0.094 0.000 0.269 370 L C -0.405 176.800 176.870 0.559 0.000 1.034 370 L CA -0.927 54.154 54.840 0.401 0.000 0.806 370 L CB 1.883 44.165 42.059 0.372 0.000 1.244 370 L HN 0.866 nan 8.230 nan 0.000 0.447 371 M N 1.809 121.656 119.600 0.411 0.000 2.324 371 M HA 0.542 5.079 4.480 0.094 0.000 0.288 371 M C -2.102 174.371 176.300 0.289 0.000 1.097 371 M CA -0.262 55.275 55.300 0.395 0.000 0.928 371 M CB 2.074 34.968 32.600 0.489 0.000 1.648 371 M HN 0.317 nan 8.290 nan 0.000 0.460 372 F N 4.358 124.347 119.950 0.066 0.000 2.546 372 F HA 0.696 5.304 4.527 0.136 0.000 0.320 372 F C -0.537 175.316 175.800 0.089 0.000 1.076 372 F CA -0.680 57.378 58.000 0.097 0.000 0.928 372 F CB 2.081 41.170 39.000 0.147 0.000 1.189 372 F HN 0.408 nan 8.300 nan 0.000 0.465 373 I N 3.646 124.402 120.570 0.309 0.000 2.468 373 I HA 0.502 4.728 4.170 0.094 0.000 0.285 373 I C -1.261 174.981 176.117 0.208 0.000 1.039 373 I CA -0.931 60.534 61.300 0.274 0.000 1.074 373 I CB 1.767 39.911 38.000 0.241 0.000 1.228 373 I HN 0.384 nan 8.210 nan 0.000 0.436 374 V N 2.341 122.400 119.914 0.240 0.000 2.876 374 V HA 0.679 4.855 4.120 0.094 0.000 0.312 374 V C -1.181 175.027 176.094 0.189 0.000 1.085 374 V CA -0.344 62.067 62.300 0.186 0.000 0.945 374 V CB 2.555 34.499 31.823 0.203 0.000 1.017 374 V HN 0.625 nan 8.190 nan 0.000 0.428 375 D N 1.666 122.144 120.400 0.129 0.000 3.600 375 D HA 0.316 5.013 4.640 0.094 0.000 0.192 375 D C 0.908 177.263 176.300 0.092 0.000 1.100 375 D CA 0.015 54.089 54.000 0.124 0.000 1.334 375 D CB 0.974 41.821 40.800 0.079 0.000 0.959 375 D HN 0.585 nan 8.370 nan 0.000 0.221 376 N N 0.062 118.796 118.700 0.056 0.000 2.415 376 N HA 0.035 4.832 4.740 0.094 0.000 0.176 376 N C -0.355 175.176 175.510 0.035 0.000 1.042 376 N CA 0.514 53.589 53.050 0.041 0.000 0.902 376 N CB 0.273 38.770 38.487 0.018 0.000 0.986 376 N HN 0.274 nan 8.380 nan 0.000 0.447 377 N N -0.470 118.248 118.700 0.030 0.000 2.453 377 N HA 0.414 5.210 4.740 0.094 0.000 0.290 377 N C -0.591 174.930 175.510 0.018 0.000 1.250 377 N CA -0.573 52.490 53.050 0.020 0.000 0.815 377 N CB 1.824 40.314 38.487 0.005 0.000 1.381 377 N HN -0.126 nan 8.380 nan 0.000 0.510 378 I N 2.365 122.936 120.570 0.000 0.000 2.278 378 I HA 0.078 4.304 4.170 0.094 0.000 0.296 378 I C 0.823 176.836 176.117 -0.174 0.000 1.121 378 I CA -0.059 61.227 61.300 -0.023 0.000 1.267 378 I CB 0.021 38.001 38.000 -0.034 0.000 1.447 378 I HN 0.428 nan 8.210 nan 0.000 0.509 379 L N 5.916 127.009 121.223 -0.216 0.000 2.072 379 L HA 0.050 4.447 4.340 0.094 0.000 0.205 379 L C -0.005 176.283 176.870 -0.971 0.000 1.079 379 L CA 1.375 55.898 54.840 -0.529 0.000 0.752 379 L CB -0.162 41.622 42.059 -0.457 0.000 0.906 379 L HN 0.368 nan 8.230 nan 0.000 0.436 380 F N -1.042 118.726 119.950 -0.304 0.000 2.601 380 F HA 0.604 5.127 4.527 -0.006 0.000 0.309 380 F C -0.667 174.809 175.800 -0.540 0.000 1.089 380 F CA -0.903 56.798 58.000 -0.497 0.000 0.940 380 F CB 2.116 40.872 39.000 -0.406 0.000 1.273 380 F HN -0.373 nan 8.300 nan 0.000 0.450 381 L N 1.639 122.468 121.223 -0.657 0.000 2.493 381 L HA 0.981 5.378 4.340 0.094 0.000 0.265 381 L C -0.806 175.777 176.870 -0.478 0.000 0.954 381 L CA 0.023 54.429 54.840 -0.723 0.000 0.844 381 L CB 1.971 43.429 42.059 -1.001 0.000 1.302 381 L HN 0.768 nan 8.230 nan 0.000 0.405 382 G N 2.774 111.516 108.800 -0.096 0.000 2.495 382 G HA2 0.427 4.443 3.960 0.094 0.000 0.294 382 G HA3 0.427 4.443 3.960 0.094 0.000 0.294 382 G C -2.160 172.916 174.900 0.293 0.000 1.397 382 G CA -0.820 44.465 45.100 0.308 0.000 0.790 382 G HN 0.641 nan 8.290 nan 0.000 0.486 383 K N 0.221 120.834 120.400 0.354 0.000 2.463 383 K HA 0.582 4.959 4.320 0.094 0.000 0.255 383 K C -1.040 175.566 176.600 0.011 0.000 0.942 383 K CA -0.602 55.805 56.287 0.201 0.000 0.814 383 K CB 2.064 34.760 32.500 0.326 0.000 1.122 383 K HN 0.257 nan 8.250 nan 0.000 0.425 384 V N 5.037 124.758 119.914 -0.320 0.000 2.299 384 V HA 0.052 4.228 4.120 0.094 0.000 0.255 384 V C 0.810 176.693 176.094 -0.352 0.000 1.100 384 V CA -0.365 61.592 62.300 -0.572 0.000 0.938 384 V CB 0.350 31.356 31.823 -1.362 0.000 1.139 384 V HN 0.811 nan 8.190 nan 0.000 0.490 385 N N 2.788 121.416 118.700 -0.120 0.000 2.395 385 N HA -0.011 4.786 4.740 0.094 0.000 0.175 385 N C 0.735 176.288 175.510 0.071 0.000 1.029 385 N CA 0.280 53.356 53.050 0.044 0.000 0.897 385 N CB 0.344 38.868 38.487 0.062 0.000 0.991 385 N HN 0.403 nan 8.380 nan 0.000 0.441 386 R N 0.194 120.609 120.500 -0.141 0.000 2.772 386 R HA 0.354 4.751 4.340 0.094 0.000 0.288 386 R C -2.857 173.202 176.300 -0.402 0.000 1.365 386 R CA -1.318 54.634 56.100 -0.247 0.000 1.023 386 R CB 0.222 30.473 30.300 -0.081 0.000 1.261 386 R HN 0.063 nan 8.270 nan 0.000 0.422 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 62.763 63.100 -0.562 0.000 0.800 387 P CB 0.000 31.320 31.700 -0.633 0.000 0.726