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 1mt5_1_P DATA FIRST_RESID 37 DATA SEQUENCE ARGAATRARQ KQRASLETMD KAVQRFRLQN PDLDSEALLT LPLLQLVQKL DATA SEQUENCE QSGELSPEAV FFTYLGKAWE VNKGTNCVTS YLTDCETQLS QAPRQGLLYG DATA SEQUENCE VPVSLKECFS YKGHDSTLGL SLNEGMPSES DCVVVQVLKL QGAVPFVHTN DATA SEQUENCE VPQSMLSFDC SNPLFGQTMN PWKSSKSPGG SSGGEGALIG SGGSPLGLGT DATA SEQUENCE DIGGSIRFPS AFCGICGLKP TGNRLSKSGL KGCVYGQTAV QLSLGPMARD DATA SEQUENCE VESLALCLKA LLCEHLFTLD PTVPPLPFRE EVYRSSRPLR VGYYETDNYT DATA SEQUENCE MPSPAMRRAL IETKQRLEAA GHTLIPFLPN NIPYALEVLS AGGLFSDGGR DATA SEQUENCE SFLQNFKGDF VDPCLGDLIL ILRLPSWFKR LLSLLLKPLF PRLAAFLNSM DATA SEQUENCE RPRSAEKLWK LQHEIEMYRQ SVIAQWKAMN LDVLLTPMLG PALDLNTPGR DATA SEQUENCE ATGAISYTVL YNCLDFPAGV VPVTTVTAED DAQMELYKGY FGDIWDIILK DATA SEQUENCE KAMKNSVGLP VAVQCVALPW QEELCLRFMR EVEQLMT 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.570 177.584 -0.024 0.000 1.274 37 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 37 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 38 R N 1.208 121.694 120.500 -0.025 0.000 2.426 38 R HA 0.529 4.869 4.340 0.000 0.000 0.263 38 R C 1.359 177.761 176.300 0.170 0.000 0.961 38 R CA 1.090 57.211 56.100 0.036 0.000 1.086 38 R CB -1.079 29.209 30.300 -0.020 0.000 1.186 38 R HN 1.308 nan 8.270 nan 0.000 0.537 39 G N -0.969 107.904 108.800 0.121 0.000 3.181 39 G HA2 0.316 4.276 3.960 0.000 0.000 0.219 39 G HA3 0.316 4.276 3.960 0.000 0.000 0.219 39 G C 1.045 175.968 174.900 0.037 0.000 1.182 39 G CA 0.606 45.769 45.100 0.105 0.000 0.791 39 G HN 0.671 nan 8.290 nan 0.000 0.537 40 A N 0.278 123.109 122.820 0.018 0.000 2.476 40 A HA 0.664 4.984 4.320 0.000 0.000 0.263 40 A C 2.082 179.636 177.584 -0.049 0.000 1.342 40 A CA 0.759 52.788 52.037 -0.014 0.000 0.926 40 A CB -0.132 18.858 19.000 -0.017 0.000 1.019 40 A HN 0.414 nan 8.150 nan 0.000 0.515 41 A N -0.180 122.612 122.820 -0.046 0.000 2.067 41 A HA -0.003 4.317 4.320 0.000 0.000 0.217 41 A C 2.291 179.807 177.584 -0.114 0.000 1.156 41 A CA 1.869 53.836 52.037 -0.117 0.000 0.683 41 A CB -0.805 18.137 19.000 -0.097 0.000 0.808 41 A HN 0.694 nan 8.150 nan 0.000 0.455 42 T N -2.670 111.848 114.554 -0.059 0.000 2.951 42 T HA -0.076 4.274 4.350 0.000 0.000 0.268 42 T C 1.896 176.579 174.700 -0.027 0.000 1.073 42 T CA 1.192 63.269 62.100 -0.038 0.000 1.134 42 T CB -0.250 68.607 68.868 -0.017 0.000 0.884 42 T HN 0.433 nan 8.240 nan 0.000 0.479 43 R N 0.705 121.186 120.500 -0.032 0.000 2.148 43 R HA 0.259 4.599 4.340 0.000 0.000 0.223 43 R C 2.461 178.749 176.300 -0.019 0.000 1.088 43 R CA 1.061 57.150 56.100 -0.017 0.000 0.985 43 R CB -0.377 29.914 30.300 -0.015 0.000 0.880 43 R HN 0.529 nan 8.270 nan 0.000 0.451 44 A N -0.360 122.410 122.820 -0.083 0.000 1.997 44 A HA 0.050 4.370 4.320 0.000 0.000 0.212 44 A C 1.939 179.507 177.584 -0.027 0.000 1.178 44 A CA 0.186 52.151 52.037 -0.119 0.000 0.698 44 A CB -0.128 18.614 19.000 -0.430 0.000 0.842 44 A HN 0.189 nan 8.150 nan 0.000 0.458 45 R N 0.255 120.720 120.500 -0.060 0.000 2.096 45 R HA -0.274 4.066 4.340 0.000 0.000 0.240 45 R C 2.446 178.808 176.300 0.102 0.000 1.139 45 R CA 2.303 58.430 56.100 0.046 0.000 0.952 45 R CB -0.233 30.067 30.300 0.001 0.000 0.854 45 R HN 0.765 nan 8.270 nan 0.000 0.436 46 Q N 0.066 119.908 119.800 0.071 0.000 2.172 46 Q HA -0.124 4.216 4.340 0.000 0.000 0.200 46 Q C 1.670 177.736 176.000 0.110 0.000 0.964 46 Q CA 1.508 57.359 55.803 0.079 0.000 0.855 46 Q CB -0.193 28.577 28.738 0.054 0.000 0.918 46 Q HN 0.139 nan 8.270 nan 0.000 0.444 47 K N 0.053 120.533 120.400 0.134 0.000 2.147 47 K HA -0.159 4.161 4.320 0.000 0.000 0.205 47 K C 2.203 178.929 176.600 0.209 0.000 1.049 47 K CA 1.379 57.766 56.287 0.167 0.000 0.936 47 K CB 0.052 32.664 32.500 0.187 0.000 0.722 47 K HN 0.467 nan 8.250 nan 0.000 0.446 48 Q N -0.250 119.707 119.800 0.262 0.000 2.096 48 Q HA -0.138 4.202 4.340 0.000 0.000 0.197 48 Q C 2.283 178.375 176.000 0.153 0.000 0.964 48 Q CA 1.289 57.225 55.803 0.222 0.000 0.838 48 Q CB 0.112 29.048 28.738 0.330 0.000 0.906 48 Q HN 0.251 nan 8.270 nan 0.000 0.444 49 R N 0.226 120.811 120.500 0.142 0.000 2.090 49 R HA 0.090 4.430 4.340 0.000 0.000 0.228 49 R C 2.027 178.404 176.300 0.128 0.000 1.110 49 R CA 1.423 57.595 56.100 0.120 0.000 0.973 49 R CB -1.294 29.063 30.300 0.096 0.000 0.869 49 R HN 0.434 nan 8.270 nan 0.000 0.440 50 A N -0.164 122.731 122.820 0.124 0.000 2.067 50 A HA 0.066 4.386 4.320 0.000 0.000 0.217 50 A C 2.349 180.017 177.584 0.141 0.000 1.156 50 A CA 1.499 53.607 52.037 0.119 0.000 0.683 50 A CB -0.146 18.915 19.000 0.102 0.000 0.808 50 A HN 0.461 nan 8.150 nan 0.000 0.455 51 S N -0.911 114.888 115.700 0.165 0.000 2.496 51 S HA 0.095 4.565 4.470 0.000 0.000 0.224 51 S C 1.552 176.269 174.600 0.193 0.000 0.996 51 S CA 0.436 58.760 58.200 0.205 0.000 0.927 51 S CB -0.119 63.217 63.200 0.226 0.000 0.774 51 S HN 0.431 nan 8.310 nan 0.000 0.524 52 L N 1.835 123.176 121.223 0.197 0.000 2.209 52 L HA 0.109 4.449 4.340 0.000 0.000 0.207 52 L C 2.709 179.783 176.870 0.340 0.000 1.094 52 L CA 1.658 56.677 54.840 0.298 0.000 0.790 52 L CB -0.651 41.563 42.059 0.258 0.000 0.932 52 L HN 0.366 nan 8.230 nan 0.000 0.447 53 E N -0.973 119.349 120.200 0.203 0.000 2.106 53 E HA -0.181 4.169 4.350 0.000 0.000 0.192 53 E C 2.015 178.616 176.600 0.001 0.000 0.984 53 E CA 1.671 58.130 56.400 0.098 0.000 0.806 53 E CB -1.412 28.342 29.700 0.090 0.000 0.750 53 E HN 0.585 nan 8.360 nan 0.000 0.458 54 T N 0.300 114.878 114.554 0.040 0.000 2.962 54 T HA -0.027 4.323 4.350 0.000 0.000 0.270 54 T C 2.137 176.764 174.700 -0.122 0.000 1.088 54 T CA 1.385 63.496 62.100 0.020 0.000 1.127 54 T CB -0.218 68.731 68.868 0.135 0.000 0.883 54 T HN 0.406 nan 8.240 nan 0.000 0.493 55 M N 1.100 120.571 119.600 -0.216 0.000 2.193 55 M HA 0.016 4.496 4.480 0.000 0.000 0.265 55 M C 2.235 178.292 176.300 -0.405 0.000 1.071 55 M CA 1.313 56.384 55.300 -0.381 0.000 1.140 55 M CB -0.328 32.123 32.600 -0.249 0.000 1.369 55 M HN 0.069 nan 8.290 nan 0.000 0.423 56 D N 0.967 121.030 120.400 -0.563 0.000 2.178 56 D HA -0.121 4.519 4.640 0.000 0.000 0.202 56 D C 2.128 178.156 176.300 -0.454 0.000 0.974 56 D CA 2.015 55.494 54.000 -0.869 0.000 0.841 56 D CB 0.240 40.449 40.800 -0.986 0.000 0.953 56 D HN 0.231 nan 8.370 nan 0.000 0.478 57 K N 0.354 120.599 120.400 -0.258 0.000 2.031 57 K HA 0.246 4.566 4.320 0.000 0.000 0.205 57 K C 2.269 178.799 176.600 -0.116 0.000 1.049 57 K CA 1.380 57.577 56.287 -0.151 0.000 0.939 57 K CB -1.185 31.268 32.500 -0.077 0.000 0.717 57 K HN 0.232 nan 8.250 nan 0.000 0.438 58 A N 1.230 124.003 122.820 -0.078 0.000 2.015 58 A HA 0.069 4.389 4.320 0.000 0.000 0.219 58 A C 2.561 180.136 177.584 -0.016 0.000 1.163 58 A CA 1.996 54.042 52.037 0.015 0.000 0.646 58 A CB -0.766 18.349 19.000 0.193 0.000 0.806 58 A HN 0.911 nan 8.150 nan 0.000 0.448 59 V N -2.633 117.255 119.914 -0.043 0.000 2.453 59 V HA -0.233 3.887 4.120 0.000 0.000 0.247 59 V C 2.011 178.076 176.094 -0.047 0.000 1.048 59 V CA 2.146 64.433 62.300 -0.021 0.000 1.049 59 V CB -1.021 30.751 31.823 -0.085 0.000 0.672 59 V HN 0.572 nan 8.190 nan 0.000 0.457 60 Q N 0.347 120.073 119.800 -0.123 0.000 2.187 60 Q HA -0.018 4.322 4.340 0.000 0.000 0.199 60 Q C 2.676 178.614 176.000 -0.104 0.000 0.957 60 Q CA 1.784 57.517 55.803 -0.116 0.000 0.857 60 Q CB -0.251 28.398 28.738 -0.149 0.000 0.929 60 Q HN 0.808 nan 8.270 nan 0.000 0.453 61 R N 0.361 120.797 120.500 -0.106 0.000 2.120 61 R HA -0.151 4.189 4.340 0.000 0.000 0.234 61 R C 1.624 177.841 176.300 -0.138 0.000 1.123 61 R CA 1.528 57.562 56.100 -0.110 0.000 0.975 61 R CB -1.464 28.781 30.300 -0.092 0.000 0.866 61 R HN 0.353 nan 8.270 nan 0.000 0.446 62 F N 1.268 121.007 119.950 -0.352 0.000 2.128 62 F HA -0.004 4.523 4.527 0.000 0.000 0.295 62 F C 2.994 178.664 175.800 -0.217 0.000 1.100 62 F CA 2.315 60.083 58.000 -0.385 0.000 1.260 62 F CB -0.324 38.284 39.000 -0.653 0.000 1.009 62 F HN 0.325 nan 8.300 nan 0.000 0.476 63 R N 0.772 121.207 120.500 -0.108 0.000 2.115 63 R HA 0.046 4.386 4.340 0.000 0.000 0.230 63 R C 2.252 178.438 176.300 -0.190 0.000 1.111 63 R CA 1.680 57.696 56.100 -0.140 0.000 0.976 63 R CB -2.164 28.121 30.300 -0.026 0.000 0.870 63 R HN 0.470 nan 8.270 nan 0.000 0.445 64 L N -0.470 120.652 121.223 -0.168 0.000 2.005 64 L HA 0.065 4.405 4.340 0.000 0.000 0.207 64 L C 2.911 179.668 176.870 -0.189 0.000 1.072 64 L CA 2.769 57.519 54.840 -0.150 0.000 0.744 64 L CB -1.946 40.045 42.059 -0.114 0.000 0.895 64 L HN 0.674 nan 8.230 nan 0.000 0.433 65 Q N -0.685 118.971 119.800 -0.241 0.000 2.437 65 Q HA -0.047 4.293 4.340 0.000 0.000 0.210 65 Q C 1.198 176.987 176.000 -0.351 0.000 0.972 65 Q CA 1.366 57.014 55.803 -0.258 0.000 0.903 65 Q CB -0.858 27.740 28.738 -0.234 0.000 0.967 65 Q HN 0.936 nan 8.270 nan 0.000 0.486 66 N N -0.607 117.803 118.700 -0.484 0.000 2.673 66 N HA 0.213 4.953 4.740 0.000 0.000 0.265 66 N C -2.425 172.881 175.510 -0.340 0.000 1.709 66 N CA -0.881 51.861 53.050 -0.513 0.000 0.792 66 N CB 1.767 39.674 38.487 -0.965 0.000 1.286 66 N HN 0.159 nan 8.380 nan 0.000 0.506 67 P HA 0.051 nan 4.420 nan 0.000 0.227 67 P C 0.923 178.171 177.300 -0.086 0.000 1.161 67 P CA 0.926 63.947 63.100 -0.131 0.000 0.788 67 P CB 0.126 31.763 31.700 -0.104 0.000 0.822 68 D N -0.348 120.002 120.400 -0.083 0.000 2.347 68 D HA 0.184 4.824 4.640 0.000 0.000 0.215 68 D C 1.062 177.345 176.300 -0.029 0.000 0.976 68 D CA 0.588 54.558 54.000 -0.050 0.000 0.884 68 D CB -0.939 39.833 40.800 -0.047 0.000 0.915 68 D HN 0.277 nan 8.370 nan 0.000 0.526 69 L N 0.753 121.961 121.223 -0.025 0.000 2.360 69 L HA 0.454 4.794 4.340 0.000 0.000 0.276 69 L C 0.517 177.396 176.870 0.015 0.000 1.121 69 L CA -0.452 54.397 54.840 0.014 0.000 0.845 69 L CB 0.511 42.608 42.059 0.064 0.000 1.143 69 L HN 0.280 nan 8.230 nan 0.000 0.452 70 D N 2.483 122.890 120.400 0.012 0.000 2.342 70 D HA 0.134 4.774 4.640 0.000 0.000 0.260 70 D C 1.128 177.427 176.300 -0.003 0.000 1.278 70 D CA 0.571 54.572 54.000 0.002 0.000 0.910 70 D CB 1.231 42.030 40.800 -0.001 0.000 1.079 70 D HN 0.731 nan 8.370 nan 0.000 0.496 71 S N 3.277 118.971 115.700 -0.010 0.000 2.344 71 S HA -0.221 4.249 4.470 0.000 0.000 0.217 71 S C 2.233 176.795 174.600 -0.062 0.000 1.033 71 S CA 1.731 59.913 58.200 -0.031 0.000 1.017 71 S CB -0.238 62.948 63.200 -0.023 0.000 0.941 71 S HN 0.768 nan 8.310 nan 0.000 0.430 72 E N 1.168 121.339 120.200 -0.048 0.000 2.086 72 E HA -0.162 4.188 4.350 0.000 0.000 0.200 72 E C 2.100 178.670 176.600 -0.049 0.000 1.012 72 E CA 1.827 58.197 56.400 -0.051 0.000 0.812 72 E CB -1.247 28.433 29.700 -0.033 0.000 0.743 72 E HN 0.629 nan 8.360 nan 0.000 0.453 73 A N -0.281 122.519 122.820 -0.033 0.000 2.016 73 A HA 0.198 4.518 4.320 0.000 0.000 0.217 73 A C 2.323 179.894 177.584 -0.021 0.000 1.162 73 A CA 1.285 53.311 52.037 -0.019 0.000 0.662 73 A CB -0.153 18.843 19.000 -0.007 0.000 0.812 73 A HN 0.451 nan 8.150 nan 0.000 0.450 74 L N 0.212 121.411 121.223 -0.040 0.000 1.994 74 L HA -0.136 4.204 4.340 0.000 0.000 0.208 74 L C 2.349 179.163 176.870 -0.094 0.000 1.071 74 L CA 2.056 56.864 54.840 -0.053 0.000 0.745 74 L CB -1.245 40.768 42.059 -0.077 0.000 0.892 74 L HN 0.472 nan 8.230 nan 0.000 0.431 75 L N -0.447 120.660 121.223 -0.194 0.000 2.046 75 L HA -0.187 4.153 4.340 0.000 0.000 0.208 75 L C 2.330 179.178 176.870 -0.036 0.000 1.077 75 L CA 1.745 56.438 54.840 -0.245 0.000 0.747 75 L CB -1.332 40.559 42.059 -0.281 0.000 0.896 75 L HN 0.367 nan 8.230 nan 0.000 0.432 76 T N -2.387 112.153 114.554 -0.024 0.000 3.163 76 T HA 0.065 4.415 4.350 0.000 0.000 0.260 76 T C 0.689 175.409 174.700 0.034 0.000 1.156 76 T CA -0.170 61.937 62.100 0.012 0.000 1.072 76 T CB -0.355 68.513 68.868 -0.000 0.000 0.937 76 T HN -0.123 nan 8.240 nan 0.000 0.528 77 L N 3.197 124.446 121.223 0.044 0.000 2.513 77 L HA 0.354 4.694 4.340 0.000 0.000 0.272 77 L C -1.993 174.924 176.870 0.079 0.000 1.187 77 L CA -2.268 52.608 54.840 0.059 0.000 0.895 77 L CB 0.123 42.222 42.059 0.067 0.000 1.147 77 L HN 0.090 nan 8.230 nan 0.000 0.483 78 P HA 0.010 nan 4.420 nan 0.000 0.270 78 P C 0.728 178.063 177.300 0.058 0.000 1.223 78 P CA -0.507 62.630 63.100 0.062 0.000 0.785 78 P CB 0.576 32.306 31.700 0.050 0.000 0.923 79 L N 1.840 123.090 121.223 0.045 0.000 2.131 79 L HA -0.137 4.203 4.340 0.000 0.000 0.210 79 L C 1.638 178.523 176.870 0.026 0.000 1.092 79 L CA 1.929 56.785 54.840 0.026 0.000 0.759 79 L CB -0.915 41.143 42.059 -0.002 0.000 0.903 79 L HN 0.239 nan 8.230 nan 0.000 0.435 80 L N -1.000 120.242 121.223 0.032 0.000 2.072 80 L HA -0.126 4.214 4.340 0.000 0.000 0.205 80 L C 2.514 179.407 176.870 0.037 0.000 1.079 80 L CA 1.505 56.365 54.840 0.033 0.000 0.752 80 L CB -1.901 40.183 42.059 0.042 0.000 0.906 80 L HN 0.419 nan 8.230 nan 0.000 0.436 81 Q N -0.456 119.369 119.800 0.041 0.000 2.119 81 Q HA -0.193 4.147 4.340 0.000 0.000 0.201 81 Q C 2.313 178.341 176.000 0.047 0.000 0.972 81 Q CA 0.974 56.802 55.803 0.042 0.000 0.847 81 Q CB -0.210 28.553 28.738 0.041 0.000 0.903 81 Q HN 0.277 nan 8.270 nan 0.000 0.433 82 L N 0.765 122.019 121.223 0.051 0.000 2.017 82 L HA -0.159 4.181 4.340 0.000 0.000 0.208 82 L C 2.324 179.224 176.870 0.051 0.000 1.073 82 L CA 1.592 56.467 54.840 0.058 0.000 0.745 82 L CB -0.611 41.491 42.059 0.072 0.000 0.894 82 L HN 0.201 nan 8.230 nan 0.000 0.432 83 V N -0.939 118.999 119.914 0.041 0.000 2.515 83 V HA -0.247 3.873 4.120 0.000 0.000 0.250 83 V C 2.336 178.469 176.094 0.066 0.000 1.058 83 V CA 1.763 64.093 62.300 0.051 0.000 1.064 83 V CB -0.942 30.902 31.823 0.035 0.000 0.675 83 V HN 0.816 nan 8.190 nan 0.000 0.461 84 Q N 0.352 120.183 119.800 0.052 0.000 2.123 84 Q HA -0.112 4.228 4.340 0.000 0.000 0.199 84 Q C 2.273 178.303 176.000 0.051 0.000 0.966 84 Q CA 1.811 57.642 55.803 0.048 0.000 0.845 84 Q CB -0.551 28.211 28.738 0.039 0.000 0.907 84 Q HN 0.568 nan 8.270 nan 0.000 0.439 85 K N -0.248 120.185 120.400 0.054 0.000 2.097 85 K HA -0.061 4.259 4.320 0.000 0.000 0.205 85 K C 1.752 178.398 176.600 0.076 0.000 1.050 85 K CA 0.852 57.173 56.287 0.057 0.000 0.938 85 K CB -0.016 32.517 32.500 0.055 0.000 0.718 85 K HN 0.238 nan 8.250 nan 0.000 0.442 86 L N 1.087 122.367 121.223 0.096 0.000 2.217 86 L HA -0.123 4.217 4.340 0.000 0.000 0.211 86 L C 2.248 179.236 176.870 0.197 0.000 1.107 86 L CA 1.604 56.536 54.840 0.153 0.000 0.783 86 L CB -0.661 41.486 42.059 0.147 0.000 0.919 86 L HN 0.137 nan 8.230 nan 0.000 0.442 87 Q N -0.604 119.268 119.800 0.120 0.000 2.163 87 Q HA -0.064 4.276 4.340 0.000 0.000 0.198 87 Q C 2.282 178.290 176.000 0.015 0.000 0.954 87 Q CA 1.497 57.330 55.803 0.050 0.000 0.851 87 Q CB -0.036 28.723 28.738 0.034 0.000 0.928 87 Q HN 0.529 nan 8.270 nan 0.000 0.459 88 S N -1.835 113.884 115.700 0.032 0.000 2.603 88 S HA 0.258 4.728 4.470 0.000 0.000 0.220 88 S C 1.316 175.933 174.600 0.027 0.000 0.967 88 S CA 0.474 58.687 58.200 0.021 0.000 0.920 88 S CB 0.138 63.352 63.200 0.024 0.000 0.773 88 S HN 0.575 nan 8.310 nan 0.000 0.529 89 G N 0.993 109.821 108.800 0.047 0.000 2.157 89 G HA2 -0.266 3.694 3.960 0.000 0.000 0.239 89 G HA3 -0.266 3.694 3.960 0.000 0.000 0.239 89 G C 0.509 175.445 174.900 0.060 0.000 0.982 89 G CA 0.343 45.477 45.100 0.056 0.000 0.650 89 G HN 0.509 nan 8.290 nan 0.000 0.527 90 E N -0.799 119.436 120.200 0.058 0.000 2.208 90 E HA 0.159 4.509 4.350 0.000 0.000 0.193 90 E C 0.948 177.585 176.600 0.061 0.000 0.988 90 E CA 0.556 56.987 56.400 0.052 0.000 0.828 90 E CB 0.039 29.766 29.700 0.045 0.000 0.763 90 E HN 0.605 nan 8.360 nan 0.000 0.478 91 L N -0.299 120.969 121.223 0.075 0.000 2.323 91 L HA 0.248 4.588 4.340 0.000 0.000 0.265 91 L C 0.010 176.940 176.870 0.100 0.000 1.012 91 L CA -0.831 54.059 54.840 0.084 0.000 0.820 91 L CB 1.930 44.035 42.059 0.078 0.000 1.334 91 L HN -0.160 nan 8.230 nan 0.000 0.427 92 S N 0.835 116.601 115.700 0.109 0.000 2.586 92 S HA 0.391 4.861 4.470 0.000 0.000 0.274 92 S C -1.966 172.683 174.600 0.082 0.000 1.281 92 S CA -1.125 57.145 58.200 0.116 0.000 1.035 92 S CB 1.478 64.764 63.200 0.143 0.000 0.962 92 S HN 0.382 nan 8.310 nan 0.000 0.512 93 P HA -0.098 nan 4.420 nan 0.000 0.216 93 P C 0.909 178.206 177.300 -0.005 0.000 1.150 93 P CA 1.333 64.392 63.100 -0.068 0.000 0.843 93 P CB 0.056 31.671 31.700 -0.142 0.000 0.787 94 E N -0.567 119.690 120.200 0.095 0.000 2.106 94 E HA -0.101 4.249 4.350 0.000 0.000 0.192 94 E C 2.139 178.769 176.600 0.050 0.000 0.984 94 E CA 1.382 57.915 56.400 0.221 0.000 0.806 94 E CB -1.114 28.806 29.700 0.367 0.000 0.750 94 E HN 0.138 nan 8.360 nan 0.000 0.458 95 A N 0.681 123.566 122.820 0.109 0.000 1.877 95 A HA -0.173 4.147 4.320 0.000 0.000 0.216 95 A C 2.463 180.051 177.584 0.008 0.000 1.186 95 A CA 1.961 54.074 52.037 0.126 0.000 0.620 95 A CB -0.931 18.213 19.000 0.240 0.000 0.822 95 A HN 0.246 nan 8.150 nan 0.000 0.443 96 V N -3.705 116.225 119.914 0.028 0.000 2.719 96 V HA -0.040 4.080 4.120 0.000 0.000 0.252 96 V C 2.183 178.282 176.094 0.008 0.000 1.065 96 V CA 1.664 63.988 62.300 0.040 0.000 1.086 96 V CB -1.052 30.805 31.823 0.056 0.000 0.700 96 V HN 0.446 nan 8.190 nan 0.000 0.467 97 F N 0.920 120.715 119.950 -0.260 0.000 2.118 97 F HA 0.091 4.618 4.527 -0.000 0.000 0.293 97 F C 1.985 177.481 175.800 -0.507 0.000 1.102 97 F CA 1.704 59.425 58.000 -0.466 0.000 1.247 97 F CB -0.108 38.527 39.000 -0.607 0.000 1.017 97 F HN 0.113 nan 8.300 nan 0.000 0.475 98 F N 0.160 119.765 119.950 -0.575 0.000 2.456 98 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 98 F C 2.332 177.843 175.800 -0.482 0.000 1.104 98 F CA 1.208 58.785 58.000 -0.704 0.000 1.435 98 F CB -0.752 37.671 39.000 -0.961 0.000 1.078 98 F HN -0.109 nan 8.300 nan 0.000 0.546 99 T N -1.158 113.267 114.554 -0.216 0.000 2.821 99 T HA -0.187 4.163 4.350 0.000 0.000 0.267 99 T C 1.557 176.103 174.700 -0.256 0.000 1.046 99 T CA 1.297 63.300 62.100 -0.161 0.000 1.139 99 T CB -0.424 68.360 68.868 -0.140 0.000 0.871 99 T HN 0.161 nan 8.240 nan 0.000 0.454 100 Y N 1.069 121.203 120.300 -0.277 0.000 2.184 100 Y HA 0.105 4.655 4.550 0.000 0.000 0.290 100 Y C 2.271 178.014 175.900 -0.261 0.000 1.129 100 Y CA 0.395 58.324 58.100 -0.284 0.000 1.144 100 Y CB -0.540 37.675 38.460 -0.408 0.000 0.995 100 Y HN 0.079 nan 8.280 nan 0.000 0.513 101 L N -0.788 120.220 121.223 -0.359 0.000 2.089 101 L HA -0.283 4.057 4.340 0.000 0.000 0.213 101 L C 2.418 179.274 176.870 -0.022 0.000 1.079 101 L CA 1.652 56.348 54.840 -0.241 0.000 0.758 101 L CB -1.090 40.572 42.059 -0.661 0.000 0.891 101 L HN 0.435 nan 8.230 nan 0.000 0.433 102 G N -0.183 108.585 108.800 -0.053 0.000 2.545 102 G HA2 -0.376 3.585 3.960 0.000 0.000 0.217 102 G HA3 -0.376 3.585 3.960 0.000 0.000 0.217 102 G C 1.585 176.554 174.900 0.116 0.000 1.218 102 G CA 1.148 46.267 45.100 0.032 0.000 0.787 102 G HN 0.210 nan 8.290 nan 0.000 0.571 103 K N 0.919 121.346 120.400 0.045 0.000 2.057 103 K HA 0.134 4.454 4.320 0.000 0.000 0.207 103 K C 2.751 179.427 176.600 0.128 0.000 1.049 103 K CA 1.479 57.801 56.287 0.060 0.000 0.931 103 K CB -0.696 31.788 32.500 -0.028 0.000 0.714 103 K HN 0.213 nan 8.250 nan 0.000 0.440 104 A N -0.269 122.669 122.820 0.197 0.000 1.892 104 A HA -0.208 4.112 4.320 0.000 0.000 0.218 104 A C 2.172 179.848 177.584 0.153 0.000 1.188 104 A CA 1.778 53.942 52.037 0.211 0.000 0.631 104 A CB -1.248 17.971 19.000 0.365 0.000 0.822 104 A HN 0.666 nan 8.150 nan 0.000 0.447 105 W N 0.456 121.765 121.300 0.015 0.000 2.358 105 W HA -0.142 4.518 4.660 -0.000 0.000 0.303 105 W C 2.100 178.613 176.519 -0.010 0.000 1.208 105 W CA 1.919 59.257 57.345 -0.012 0.000 1.274 105 W CB -0.140 29.300 29.460 -0.033 0.000 1.138 105 W HN 0.471 nan 8.180 nan 0.000 0.515 106 E N -0.509 119.808 120.200 0.195 0.000 2.110 106 E HA -0.240 4.110 4.350 0.000 0.000 0.193 106 E C 2.102 178.642 176.600 -0.100 0.000 0.988 106 E CA 2.433 58.874 56.400 0.069 0.000 0.804 106 E CB -0.284 29.494 29.700 0.130 0.000 0.745 106 E HN 0.305 nan 8.360 nan 0.000 0.458 107 V N -1.372 118.498 119.914 -0.074 0.000 3.174 107 V HA 0.049 4.169 4.120 0.000 0.000 0.254 107 V C 1.709 177.730 176.094 -0.122 0.000 1.120 107 V CA 1.305 63.556 62.300 -0.082 0.000 1.114 107 V CB -0.341 31.463 31.823 -0.031 0.000 0.756 107 V HN 0.120 nan 8.190 nan 0.000 0.467 108 N N 1.342 119.939 118.700 -0.172 0.000 2.289 108 N HA -0.171 4.569 4.740 0.000 0.000 0.184 108 N C 1.750 177.117 175.510 -0.238 0.000 1.016 108 N CA 1.600 54.535 53.050 -0.192 0.000 0.872 108 N CB -0.396 37.969 38.487 -0.203 0.000 0.973 108 N HN 0.541 nan 8.380 nan 0.000 0.433 109 K N -0.955 119.239 120.400 -0.343 0.000 2.152 109 K HA -0.045 4.275 4.320 0.000 0.000 0.206 109 K C 1.825 178.326 176.600 -0.165 0.000 1.048 109 K CA 1.329 57.443 56.287 -0.289 0.000 0.933 109 K CB -0.281 32.001 32.500 -0.363 0.000 0.721 109 K HN 0.358 nan 8.250 nan 0.000 0.447 110 G N -0.581 108.137 108.800 -0.136 0.000 2.426 110 G HA2 -0.159 3.801 3.960 0.000 0.000 0.214 110 G HA3 -0.159 3.801 3.960 0.000 0.000 0.214 110 G C 1.453 176.318 174.900 -0.059 0.000 1.156 110 G CA 1.157 46.207 45.100 -0.084 0.000 0.802 110 G HN 0.429 nan 8.290 nan 0.000 0.534 111 T N -3.037 111.480 114.554 -0.061 0.000 2.969 111 T HA 0.138 4.488 4.350 0.000 0.000 0.250 111 T C 0.931 175.613 174.700 -0.031 0.000 1.021 111 T CA 0.539 62.622 62.100 -0.029 0.000 1.003 111 T CB -0.040 68.822 68.868 -0.010 0.000 1.040 111 T HN 0.252 nan 8.240 nan 0.000 0.492 112 N N 0.673 119.338 118.700 -0.057 0.000 2.696 112 N HA -0.198 4.542 4.740 0.000 0.000 0.256 112 N C 0.582 176.064 175.510 -0.046 0.000 1.031 112 N CA 0.699 53.718 53.050 -0.052 0.000 0.730 112 N CB -1.725 36.746 38.487 -0.027 0.000 0.894 112 N HN 0.808 nan 8.380 nan 0.000 0.544 113 C N -2.367 116.895 119.300 -0.063 0.000 3.038 113 C HA 0.567 5.027 4.460 0.000 0.000 0.279 113 C C 0.692 175.616 174.990 -0.110 0.000 1.276 113 C CA -0.555 58.424 59.018 -0.064 0.000 1.697 113 C CB -0.810 26.907 27.740 -0.038 0.000 2.032 113 C HN 0.239 nan 8.230 nan 0.000 0.636 114 V N 2.353 122.189 119.914 -0.130 0.000 2.328 114 V HA 0.284 4.404 4.120 0.000 0.000 0.278 114 V C 1.081 177.034 176.094 -0.234 0.000 1.021 114 V CA 0.566 62.773 62.300 -0.155 0.000 0.838 114 V CB 1.169 32.930 31.823 -0.104 0.000 0.999 114 V HN 0.503 nan 8.190 nan 0.000 0.447 115 T N 2.971 117.327 114.554 -0.331 0.000 2.939 115 T HA 0.072 4.422 4.350 0.000 0.000 0.254 115 T C 0.704 175.174 174.700 -0.383 0.000 1.041 115 T CA 1.231 62.929 62.100 -0.671 0.000 1.142 115 T CB 0.212 68.631 68.868 -0.749 0.000 0.874 115 T HN 0.793 nan 8.240 nan 0.000 0.452 116 S N -0.748 114.867 115.700 -0.142 0.000 2.596 116 S HA 0.535 5.005 4.470 0.000 0.000 0.270 116 S C -1.411 173.197 174.600 0.013 0.000 1.155 116 S CA -1.053 57.152 58.200 0.010 0.000 0.827 116 S CB 1.245 64.517 63.200 0.121 0.000 1.130 116 S HN 0.332 nan 8.310 nan 0.000 0.467 117 Y N 1.330 121.610 120.300 -0.032 0.000 2.335 117 Y HA 0.506 5.056 4.550 -0.000 0.000 0.331 117 Y C -0.091 175.737 175.900 -0.120 0.000 1.094 117 Y CA -0.834 57.234 58.100 -0.054 0.000 1.253 117 Y CB 0.591 39.086 38.460 0.057 0.000 1.203 117 Y HN 0.644 nan 8.280 nan 0.000 0.508 118 L N 7.285 128.015 121.223 -0.821 0.000 2.583 118 L HA 0.020 4.360 4.340 0.000 0.000 0.239 118 L C 1.783 178.169 176.870 -0.807 0.000 1.347 118 L CA 0.130 54.297 54.840 -1.121 0.000 1.246 118 L CB -0.384 40.844 42.059 -1.386 0.000 1.496 118 L HN 0.902 nan 8.230 nan 0.000 0.413 119 T N -1.779 112.503 114.554 -0.454 0.000 2.760 119 T HA -0.258 4.092 4.350 0.000 0.000 0.269 119 T C 1.188 175.812 174.700 -0.127 0.000 1.047 119 T CA 1.832 63.720 62.100 -0.354 0.000 1.139 119 T CB -0.343 68.568 68.868 0.072 0.000 0.855 119 T HN 0.697 nan 8.240 nan 0.000 0.471 120 D N 1.246 121.655 120.400 0.015 0.000 2.332 120 D HA 0.100 4.740 4.640 0.000 0.000 0.244 120 D C 1.294 177.610 176.300 0.027 0.000 1.136 120 D CA 0.166 54.205 54.000 0.064 0.000 0.884 120 D CB -1.215 39.665 40.800 0.133 0.000 0.906 120 D HN 0.775 nan 8.370 nan 0.000 0.520 121 C N -1.173 118.085 119.300 -0.069 0.000 2.876 121 C HA 0.326 4.786 4.460 0.000 0.000 0.276 121 C C 1.617 176.523 174.990 -0.139 0.000 1.582 121 C CA -0.304 58.631 59.018 -0.138 0.000 2.061 121 C CB -0.082 27.534 27.740 -0.207 0.000 2.044 121 C HN 0.551 nan 8.230 nan 0.000 0.647 122 E N -1.391 118.630 120.200 -0.298 0.000 5.235 122 E HA -0.314 4.036 4.350 0.000 0.000 0.181 122 E C 1.465 178.004 176.600 -0.102 0.000 1.139 122 E CA 2.193 58.471 56.400 -0.203 0.000 1.955 122 E CB -2.014 27.694 29.700 0.013 0.000 1.828 122 E HN 0.989 nan 8.360 nan 0.000 0.385 123 T N -1.389 113.127 114.554 -0.063 0.000 2.995 123 T HA -0.103 4.247 4.350 0.000 0.000 0.269 123 T C 1.630 176.283 174.700 -0.078 0.000 1.091 123 T CA 1.457 63.528 62.100 -0.048 0.000 1.128 123 T CB 0.038 68.895 68.868 -0.019 0.000 0.891 123 T HN 0.062 nan 8.240 nan 0.000 0.492 124 Q N 0.340 120.067 119.800 -0.120 0.000 2.451 124 Q HA 0.336 4.676 4.340 0.000 0.000 0.206 124 Q C 1.784 177.654 176.000 -0.217 0.000 0.947 124 Q CA 0.498 56.214 55.803 -0.145 0.000 0.937 124 Q CB -0.604 28.057 28.738 -0.128 0.000 1.025 124 Q HN 0.581 nan 8.270 nan 0.000 0.511 125 L N -0.918 120.144 121.223 -0.269 0.000 2.068 125 L HA -0.075 4.265 4.340 0.000 0.000 0.204 125 L C 2.117 178.912 176.870 -0.126 0.000 1.076 125 L CA 1.258 55.935 54.840 -0.272 0.000 0.753 125 L CB -0.348 41.511 42.059 -0.334 0.000 0.910 125 L HN 0.138 nan 8.230 nan 0.000 0.439 126 S N -0.424 115.232 115.700 -0.075 0.000 2.368 126 S HA -0.198 4.272 4.470 0.000 0.000 0.225 126 S C 1.617 176.215 174.600 -0.004 0.000 1.030 126 S CA 1.440 59.628 58.200 -0.019 0.000 0.999 126 S CB -0.651 62.544 63.200 -0.007 0.000 0.844 126 S HN 0.540 nan 8.310 nan 0.000 0.459 127 Q N 0.297 120.085 119.800 -0.021 0.000 2.819 127 Q HA 0.771 5.111 4.340 0.000 0.000 0.392 127 Q C -0.111 175.881 176.000 -0.014 0.000 1.088 127 Q CA -0.068 55.729 55.803 -0.010 0.000 1.062 127 Q CB -0.202 28.525 28.738 -0.019 0.000 1.369 127 Q HN 0.666 nan 8.270 nan 0.000 0.434 128 A N 1.970 124.797 122.820 0.011 0.000 2.252 128 A HA 0.708 5.028 4.320 0.000 0.000 0.309 128 A C -2.495 175.197 177.584 0.180 0.000 1.285 128 A CA -1.565 50.494 52.037 0.036 0.000 0.900 128 A CB 0.413 19.369 19.000 -0.073 0.000 1.157 128 A HN 0.437 nan 8.150 nan 0.000 0.536 129 P HA 0.113 nan 4.420 nan 0.000 0.267 129 P C 0.871 178.215 177.300 0.073 0.000 1.205 129 P CA -0.313 62.827 63.100 0.067 0.000 0.765 129 P CB 0.651 32.353 31.700 0.004 0.000 0.828 130 R N 3.239 123.681 120.500 -0.097 0.000 2.066 130 R HA -0.119 4.221 4.340 0.000 0.000 0.232 130 R C 1.728 177.799 176.300 -0.383 0.000 1.131 130 R CA 1.970 57.821 56.100 -0.415 0.000 0.955 130 R CB -0.566 29.549 30.300 -0.309 0.000 0.851 130 R HN 0.594 nan 8.270 nan 0.000 0.432 131 Q N 0.238 119.940 119.800 -0.164 0.000 2.217 131 Q HA 0.281 4.621 4.340 0.000 0.000 0.226 131 Q C 0.327 176.310 176.000 -0.029 0.000 0.875 131 Q CA 0.305 56.051 55.803 -0.096 0.000 0.974 131 Q CB 0.424 29.123 28.738 -0.064 0.000 1.079 131 Q HN 0.446 nan 8.270 nan 0.000 0.463 132 G N 0.040 108.841 108.800 0.002 0.000 2.390 132 G HA2 0.413 4.373 3.960 0.000 0.000 0.270 132 G HA3 0.413 4.373 3.960 0.000 0.000 0.270 132 G C 0.731 175.659 174.900 0.046 0.000 1.211 132 G CA -0.514 44.603 45.100 0.029 0.000 0.842 132 G HN 0.303 nan 8.290 nan 0.000 0.519 133 L N 1.491 122.724 121.223 0.016 0.000 2.362 133 L HA 0.083 4.423 4.340 0.000 0.000 0.219 133 L C 1.308 178.181 176.870 0.005 0.000 1.134 133 L CA 1.305 56.149 54.840 0.006 0.000 0.807 133 L CB -0.676 41.373 42.059 -0.016 0.000 0.927 133 L HN 0.444 nan 8.230 nan 0.000 0.447 134 L N -2.107 119.120 121.223 0.005 0.000 2.732 134 L HA 0.107 4.447 4.340 0.000 0.000 0.246 134 L C 1.140 178.019 176.870 0.015 0.000 1.407 134 L CA -0.288 54.548 54.840 -0.006 0.000 0.861 134 L CB 0.138 42.166 42.059 -0.052 0.000 1.161 134 L HN -0.046 nan 8.230 nan 0.000 0.510 135 Y N 1.208 121.477 120.300 -0.051 0.000 2.165 135 Y HA -0.169 4.381 4.550 0.000 0.000 0.286 135 Y C 1.976 177.843 175.900 -0.054 0.000 1.155 135 Y CA 1.971 60.040 58.100 -0.051 0.000 1.164 135 Y CB 0.287 38.725 38.460 -0.037 0.000 0.978 135 Y HN 0.397 nan 8.280 nan 0.000 0.513 136 G N -0.128 108.484 108.800 -0.313 0.000 2.603 136 G HA2 0.030 3.990 3.960 0.000 0.000 0.214 136 G HA3 0.030 3.990 3.960 0.000 0.000 0.214 136 G C 0.025 174.763 174.900 -0.271 0.000 1.140 136 G CA 0.360 45.209 45.100 -0.419 0.000 0.800 136 G HN 0.155 nan 8.290 nan 0.000 0.533 137 V N 3.852 123.654 119.914 -0.187 0.000 2.439 137 V HA 0.197 4.317 4.120 0.000 0.000 0.271 137 V C -1.812 174.189 176.094 -0.156 0.000 1.040 137 V CA -1.709 60.497 62.300 -0.158 0.000 1.002 137 V CB 1.065 32.817 31.823 -0.119 0.000 1.000 137 V HN 0.120 nan 8.190 nan 0.000 0.477 138 P HA 0.204 nan 4.420 nan 0.000 0.271 138 P C -0.562 176.747 177.300 0.016 0.000 1.220 138 P CA 0.195 63.195 63.100 -0.168 0.000 0.768 138 P CB 1.274 32.594 31.700 -0.632 0.000 0.848 139 V N 0.496 120.554 119.914 0.240 0.000 2.769 139 V HA 0.718 4.838 4.120 0.000 0.000 0.312 139 V C -0.173 175.997 176.094 0.127 0.000 1.061 139 V CA -1.009 61.386 62.300 0.158 0.000 0.931 139 V CB 1.820 33.642 31.823 -0.002 0.000 1.010 139 V HN 0.575 nan 8.190 nan 0.000 0.433 140 S N 4.658 120.354 115.700 -0.006 0.000 2.508 140 S HA 0.814 5.284 4.470 0.000 0.000 0.284 140 S C -0.555 174.006 174.600 -0.064 0.000 1.192 140 S CA -0.727 57.380 58.200 -0.155 0.000 1.070 140 S CB 0.951 64.058 63.200 -0.155 0.000 1.004 140 S HN 0.806 nan 8.310 nan 0.000 0.493 141 L N 2.339 123.546 121.223 -0.027 0.000 2.333 141 L HA 0.505 4.845 4.340 0.000 0.000 0.280 141 L C 0.353 177.382 176.870 0.264 0.000 1.004 141 L CA -0.865 54.077 54.840 0.171 0.000 0.820 141 L CB 1.432 43.632 42.059 0.235 0.000 1.247 141 L HN 0.683 nan 8.230 nan 0.000 0.416 142 K N 2.092 122.701 120.400 0.347 0.000 2.511 142 K HA -0.125 4.195 4.320 0.000 0.000 0.280 142 K C 1.167 177.776 176.600 0.015 0.000 1.008 142 K CA 0.328 56.711 56.287 0.160 0.000 1.050 142 K CB 0.780 33.344 32.500 0.107 0.000 0.889 142 K HN 0.733 nan 8.250 nan 0.000 0.484 143 E N 3.047 123.114 120.200 -0.221 0.000 2.147 143 E HA -0.283 4.067 4.350 0.000 0.000 0.199 143 E C 1.543 177.842 176.600 -0.502 0.000 1.005 143 E CA 2.124 58.164 56.400 -0.601 0.000 0.810 143 E CB -0.229 29.268 29.700 -0.339 0.000 0.736 143 E HN 0.797 nan 8.360 nan 0.000 0.460 144 C N 0.030 119.155 119.300 -0.291 0.000 2.485 144 C HA 0.151 4.611 4.460 0.000 0.000 0.283 144 C C 0.706 175.566 174.990 -0.216 0.000 1.478 144 C CA -0.820 58.056 59.018 -0.236 0.000 1.741 144 C CB -1.968 25.614 27.740 -0.264 0.000 1.675 144 C HN 0.195 nan 8.230 nan 0.000 0.573 145 F N 3.244 123.211 119.950 0.027 0.000 2.404 145 F HA 0.304 4.831 4.527 0.000 0.000 0.359 145 F C 1.198 177.136 175.800 0.231 0.000 1.134 145 F CA -0.228 57.845 58.000 0.122 0.000 1.160 145 F CB 0.599 39.681 39.000 0.136 0.000 1.186 145 F HN 0.249 nan 8.300 nan 0.000 0.526 146 S N 4.267 120.168 115.700 0.334 0.000 2.531 146 S HA 0.223 4.693 4.470 0.000 0.000 0.279 146 S C -1.012 173.775 174.600 0.311 0.000 1.305 146 S CA -0.432 57.945 58.200 0.295 0.000 1.058 146 S CB 0.494 63.802 63.200 0.181 0.000 0.899 146 S HN 0.587 nan 8.310 nan 0.000 0.493 147 Y N 1.634 122.055 120.300 0.202 0.000 2.338 147 Y HA 0.485 5.035 4.550 -0.000 0.000 0.333 147 Y C 0.270 176.239 175.900 0.115 0.000 0.968 147 Y CA -0.673 57.477 58.100 0.084 0.000 1.123 147 Y CB 0.743 39.127 38.460 -0.126 0.000 1.165 147 Y HN 0.985 nan 8.280 nan 0.000 0.452 148 K N 3.343 123.651 120.400 -0.154 0.000 2.440 148 K HA 0.366 4.686 4.320 0.000 0.000 0.275 148 K C 1.133 177.824 176.600 0.152 0.000 1.082 148 K CA 0.831 57.098 56.287 -0.035 0.000 1.135 148 K CB -1.044 31.364 32.500 -0.153 0.000 0.864 148 K HN 1.717 nan 8.250 nan 0.000 0.479 149 G N 1.336 110.214 108.800 0.130 0.000 2.241 149 G HA2 -0.190 3.770 3.960 0.000 0.000 0.244 149 G HA3 -0.190 3.770 3.960 0.000 0.000 0.244 149 G C 0.320 175.224 174.900 0.005 0.000 0.998 149 G CA 0.354 45.498 45.100 0.072 0.000 0.621 149 G HN 1.005 nan 8.290 nan 0.000 0.519 150 H N 1.046 120.220 119.070 0.173 0.000 2.502 150 H HA 0.439 4.995 4.556 0.000 0.000 0.338 150 H C -0.474 174.969 175.328 0.191 0.000 1.155 150 H CA -0.511 55.638 56.048 0.168 0.000 1.237 150 H CB 1.210 31.053 29.762 0.135 0.000 1.534 150 H HN 0.271 nan 8.280 nan 0.000 0.523 151 D N 0.137 120.709 120.400 0.286 0.000 2.399 151 D HA 0.037 4.677 4.640 0.000 0.000 0.241 151 D C -0.144 176.311 176.300 0.258 0.000 1.133 151 D CA 0.477 54.616 54.000 0.232 0.000 0.890 151 D CB 0.701 41.620 40.800 0.198 0.000 1.201 151 D HN 0.221 nan 8.370 nan 0.000 0.432 152 S N 0.693 116.490 115.700 0.161 0.000 2.078 152 S HA 0.171 4.641 4.470 0.000 0.000 0.168 152 S C -0.489 174.140 174.600 0.048 0.000 1.542 152 S CA -0.686 57.560 58.200 0.077 0.000 1.223 152 S CB -0.093 63.154 63.200 0.078 0.000 1.152 152 S HN 0.501 nan 8.310 nan 0.000 0.452 153 T N 1.176 115.781 114.554 0.085 0.000 2.737 153 T HA 0.323 4.673 4.350 0.000 0.000 0.296 153 T C 0.432 175.157 174.700 0.041 0.000 0.922 153 T CA -0.477 61.663 62.100 0.066 0.000 1.079 153 T CB 0.325 69.253 68.868 0.100 0.000 0.892 153 T HN 0.154 nan 8.240 nan 0.000 0.514 154 L N 4.586 125.796 121.223 -0.021 0.000 2.862 154 L HA 0.397 4.737 4.340 0.000 0.000 0.240 154 L C 1.826 178.673 176.870 -0.038 0.000 1.283 154 L CA 1.021 55.838 54.840 -0.039 0.000 1.117 154 L CB -0.740 41.277 42.059 -0.071 0.000 1.444 154 L HN 1.212 nan 8.230 nan 0.000 0.456 155 G N -1.414 107.389 108.800 0.005 0.000 2.284 155 G HA2 -0.226 3.734 3.960 0.000 0.000 0.247 155 G HA3 -0.226 3.734 3.960 0.000 0.000 0.247 155 G C 0.226 175.066 174.900 -0.099 0.000 1.012 155 G CA -0.105 44.984 45.100 -0.019 0.000 0.618 155 G HN 0.132 nan 8.290 nan 0.000 0.521 156 L N 1.858 122.994 121.223 -0.146 0.000 2.307 156 L HA 0.576 4.916 4.340 0.000 0.000 0.282 156 L C 1.760 178.547 176.870 -0.138 0.000 1.051 156 L CA 0.591 55.307 54.840 -0.207 0.000 0.804 156 L CB 0.957 42.833 42.059 -0.304 0.000 1.197 156 L HN 0.149 nan 8.230 nan 0.000 0.431 157 S N 2.617 118.243 115.700 -0.123 0.000 2.359 157 S HA -0.211 4.259 4.470 0.000 0.000 0.224 157 S C 1.788 176.341 174.600 -0.079 0.000 1.035 157 S CA 1.034 59.182 58.200 -0.087 0.000 1.018 157 S CB -0.315 62.848 63.200 -0.062 0.000 0.876 157 S HN 0.625 nan 8.310 nan 0.000 0.448 158 L N 2.759 123.924 121.223 -0.097 0.000 2.095 158 L HA -0.314 4.026 4.340 0.000 0.000 0.229 158 L C 1.051 177.889 176.870 -0.054 0.000 1.097 158 L CA 2.223 57.013 54.840 -0.083 0.000 0.813 158 L CB -1.064 40.926 42.059 -0.116 0.000 0.907 158 L HN 0.405 nan 8.230 nan 0.000 0.445 159 N N -1.510 117.157 118.700 -0.054 0.000 2.322 159 N HA -0.023 4.717 4.740 0.000 0.000 0.194 159 N C 1.320 176.831 175.510 0.002 0.000 1.126 159 N CA 0.539 53.578 53.050 -0.018 0.000 0.845 159 N CB 0.075 38.556 38.487 -0.010 0.000 0.976 159 N HN 0.472 nan 8.380 nan 0.000 0.475 160 E N 1.540 121.731 120.200 -0.016 0.000 2.208 160 E HA -0.036 4.314 4.350 0.000 0.000 0.193 160 E C 1.996 178.600 176.600 0.008 0.000 0.988 160 E CA 1.097 57.494 56.400 -0.004 0.000 0.828 160 E CB -0.572 29.102 29.700 -0.044 0.000 0.763 160 E HN 0.281 nan 8.360 nan 0.000 0.478 161 G N 1.258 110.058 108.800 0.001 0.000 2.574 161 G HA2 -0.239 3.721 3.960 0.000 0.000 0.220 161 G HA3 -0.239 3.721 3.960 0.000 0.000 0.220 161 G C 0.922 175.834 174.900 0.019 0.000 1.173 161 G CA 1.789 46.893 45.100 0.006 0.000 0.772 161 G HN 0.420 nan 8.290 nan 0.000 0.585 162 M N 0.167 119.785 119.600 0.029 0.000 2.326 162 M HA 0.543 5.023 4.480 0.000 0.000 0.306 162 M C -3.168 173.167 176.300 0.058 0.000 1.054 162 M CA -3.483 51.839 55.300 0.037 0.000 0.922 162 M CB 1.618 34.238 32.600 0.032 0.000 1.632 162 M HN -0.153 nan 8.290 nan 0.000 0.436 163 P HA 0.212 nan 4.420 nan 0.000 0.274 163 P C -0.590 176.762 177.300 0.087 0.000 1.260 163 P CA -0.186 62.964 63.100 0.083 0.000 0.793 163 P CB 0.238 31.970 31.700 0.053 0.000 1.048 164 S N -2.078 113.693 115.700 0.118 0.000 2.537 164 S HA 0.383 4.853 4.470 0.000 0.000 0.275 164 S C 1.395 176.034 174.600 0.066 0.000 1.272 164 S CA -0.213 58.046 58.200 0.099 0.000 1.050 164 S CB 0.634 63.913 63.200 0.131 0.000 0.961 164 S HN 0.577 nan 8.310 nan 0.000 0.496 165 E N 1.476 121.701 120.200 0.042 0.000 2.268 165 E HA 0.071 4.421 4.350 0.000 0.000 0.195 165 E C 0.837 177.441 176.600 0.007 0.000 0.995 165 E CA 1.185 57.598 56.400 0.022 0.000 0.836 165 E CB -0.121 29.588 29.700 0.015 0.000 0.763 165 E HN 0.666 nan 8.360 nan 0.000 0.491 166 S N -0.709 114.996 115.700 0.009 0.000 2.556 166 S HA 0.438 4.908 4.470 0.000 0.000 0.271 166 S C -1.904 172.679 174.600 -0.029 0.000 1.135 166 S CA -0.807 57.382 58.200 -0.019 0.000 0.858 166 S CB 1.655 64.847 63.200 -0.013 0.000 1.114 166 S HN 0.280 nan 8.310 nan 0.000 0.468 167 D N 1.978 122.321 120.400 -0.094 0.000 2.424 167 D HA 0.237 4.877 4.640 0.000 0.000 0.244 167 D C 0.660 176.939 176.300 -0.036 0.000 1.134 167 D CA -0.025 53.898 54.000 -0.129 0.000 0.881 167 D CB 0.375 41.040 40.800 -0.224 0.000 1.191 167 D HN 0.654 nan 8.370 nan 0.000 0.445 168 C N 1.408 120.723 119.300 0.025 0.000 2.563 168 C HA 0.306 4.766 4.460 0.000 0.000 0.358 168 C C 1.969 176.982 174.990 0.039 0.000 1.336 168 C CA -0.768 58.294 59.018 0.074 0.000 2.454 168 C CB 0.333 28.180 27.740 0.179 0.000 2.448 168 C HN 0.471 nan 8.230 nan 0.000 0.670 169 V N 2.262 122.209 119.914 0.054 0.000 2.379 169 V HA -0.142 3.978 4.120 0.000 0.000 0.245 169 V C 2.564 178.653 176.094 -0.008 0.000 1.044 169 V CA 2.400 64.713 62.300 0.022 0.000 1.036 169 V CB -0.614 31.230 31.823 0.035 0.000 0.664 169 V HN 0.976 nan 8.190 nan 0.000 0.453 170 V N -2.120 117.795 119.914 0.001 0.000 2.407 170 V HA -0.164 3.956 4.120 0.000 0.000 0.248 170 V C 2.224 178.240 176.094 -0.130 0.000 1.055 170 V CA 1.881 64.135 62.300 -0.077 0.000 1.049 170 V CB -0.994 30.760 31.823 -0.114 0.000 0.662 170 V HN 0.291 nan 8.190 nan 0.000 0.455 171 V N 0.167 120.017 119.914 -0.107 0.000 2.343 171 V HA -0.296 3.824 4.120 0.000 0.000 0.247 171 V C 2.844 178.883 176.094 -0.093 0.000 1.051 171 V CA 2.501 64.746 62.300 -0.092 0.000 1.036 171 V CB -0.809 31.000 31.823 -0.023 0.000 0.654 171 V HN 0.569 nan 8.190 nan 0.000 0.451 172 Q N -0.537 119.212 119.800 -0.084 0.000 2.014 172 Q HA -0.246 4.094 4.340 0.000 0.000 0.207 172 Q C 2.422 178.356 176.000 -0.109 0.000 0.993 172 Q CA 2.580 58.327 55.803 -0.093 0.000 0.850 172 Q CB -0.482 28.216 28.738 -0.067 0.000 0.916 172 Q HN 0.645 nan 8.270 nan 0.000 0.417 173 V N -0.418 119.434 119.914 -0.103 0.000 2.626 173 V HA -0.177 3.943 4.120 0.000 0.000 0.252 173 V C 1.863 177.879 176.094 -0.130 0.000 1.067 173 V CA 1.201 63.427 62.300 -0.123 0.000 1.081 173 V CB -0.371 31.391 31.823 -0.102 0.000 0.686 173 V HN 0.317 nan 8.190 nan 0.000 0.468 174 L N 0.021 121.171 121.223 -0.121 0.000 1.989 174 L HA -0.178 4.162 4.340 0.000 0.000 0.211 174 L C 2.885 179.692 176.870 -0.104 0.000 1.071 174 L CA 2.495 57.268 54.840 -0.112 0.000 0.749 174 L CB -0.671 41.321 42.059 -0.113 0.000 0.890 174 L HN 0.268 nan 8.230 nan 0.000 0.431 175 K N 0.062 120.400 120.400 -0.104 0.000 2.057 175 K HA -0.146 4.174 4.320 0.000 0.000 0.207 175 K C 1.964 178.491 176.600 -0.121 0.000 1.049 175 K CA 1.224 57.449 56.287 -0.103 0.000 0.931 175 K CB -0.276 32.162 32.500 -0.103 0.000 0.714 175 K HN 0.257 nan 8.250 nan 0.000 0.440 176 L N 0.556 121.678 121.223 -0.167 0.000 2.551 176 L HA -0.119 4.221 4.340 0.000 0.000 0.228 176 L C 1.661 178.390 176.870 -0.234 0.000 1.153 176 L CA 0.603 55.289 54.840 -0.257 0.000 0.851 176 L CB -0.039 41.761 42.059 -0.431 0.000 0.959 176 L HN 0.135 nan 8.230 nan 0.000 0.451 177 Q N -0.619 119.095 119.800 -0.144 0.000 2.179 177 Q HA 0.211 4.551 4.340 0.000 0.000 0.213 177 Q C 1.176 177.155 176.000 -0.035 0.000 0.833 177 Q CA 0.565 56.320 55.803 -0.080 0.000 0.990 177 Q CB 0.847 29.540 28.738 -0.075 0.000 1.132 177 Q HN 0.327 nan 8.270 nan 0.000 0.493 178 G N -0.745 108.032 108.800 -0.038 0.000 2.217 178 G HA2 -0.299 3.662 3.960 0.000 0.000 0.246 178 G HA3 -0.299 3.662 3.960 0.000 0.000 0.246 178 G C 0.380 175.230 174.900 -0.084 0.000 0.990 178 G CA -0.047 45.051 45.100 -0.003 0.000 0.627 178 G HN 0.653 nan 8.290 nan 0.000 0.522 179 A N -0.125 122.643 122.820 -0.086 0.000 2.520 179 A HA 0.535 4.855 4.320 0.000 0.000 0.235 179 A C 0.637 178.161 177.584 -0.100 0.000 1.065 179 A CA 0.993 52.970 52.037 -0.099 0.000 0.764 179 A CB 0.582 19.532 19.000 -0.084 0.000 1.002 179 A HN 1.346 nan 8.150 nan 0.000 0.502 180 V N 3.618 123.474 119.914 -0.097 0.000 2.266 180 V HA 0.271 4.391 4.120 0.000 0.000 0.266 180 V C -2.620 173.506 176.094 0.053 0.000 1.036 180 V CA -1.542 60.701 62.300 -0.094 0.000 0.828 180 V CB 0.646 32.324 31.823 -0.242 0.000 1.081 180 V HN 0.713 nan 8.190 nan 0.000 0.449 181 P HA 0.259 nan 4.420 nan 0.000 0.271 181 P C -0.027 177.325 177.300 0.086 0.000 1.220 181 P CA 0.018 63.185 63.100 0.111 0.000 0.768 181 P CB 0.413 32.158 31.700 0.075 0.000 0.848 182 F N 2.280 122.142 119.950 -0.145 0.000 2.925 182 F HA 0.376 4.903 4.527 0.000 0.000 0.355 182 F C -0.805 174.920 175.800 -0.125 0.000 1.073 182 F CA -0.474 57.472 58.000 -0.090 0.000 1.127 182 F CB 0.133 39.264 39.000 0.219 0.000 1.123 182 F HN 0.028 nan 8.300 nan 0.000 0.551 183 V N -0.786 118.706 119.914 -0.703 0.000 2.888 183 V HA 0.487 4.607 4.120 0.000 0.000 0.309 183 V C -1.102 174.751 176.094 -0.401 0.000 1.114 183 V CA -1.019 60.931 62.300 -0.584 0.000 0.940 183 V CB 1.304 32.689 31.823 -0.731 0.000 1.021 183 V HN 0.284 nan 8.190 nan 0.000 0.426 184 H N 1.566 120.430 119.070 -0.343 0.000 2.502 184 H HA 0.652 5.208 4.556 0.000 0.000 0.327 184 H C 0.106 175.297 175.328 -0.229 0.000 1.099 184 H CA -0.090 55.814 56.048 -0.241 0.000 1.323 184 H CB 1.690 31.332 29.762 -0.200 0.000 1.450 184 H HN 0.959 nan 8.280 nan 0.000 0.502 185 T N 0.946 115.476 114.554 -0.040 0.000 2.859 185 T HA 0.135 4.485 4.350 0.000 0.000 0.281 185 T C 0.229 174.861 174.700 -0.114 0.000 1.005 185 T CA -1.207 60.836 62.100 -0.096 0.000 1.025 185 T CB 1.491 70.322 68.868 -0.061 0.000 0.977 185 T HN 0.513 nan 8.240 nan 0.000 0.458 186 N N 1.127 119.751 118.700 -0.127 0.000 2.441 186 N HA 0.318 5.058 4.740 0.000 0.000 0.251 186 N C -0.160 175.332 175.510 -0.030 0.000 1.242 186 N CA -0.268 52.721 53.050 -0.102 0.000 0.898 186 N CB 0.541 38.981 38.487 -0.079 0.000 1.100 186 N HN 0.764 nan 8.380 nan 0.000 0.443 187 V N 0.456 120.373 119.914 0.005 0.000 3.046 187 V HA 0.784 4.904 4.120 0.000 0.000 0.316 187 V C -2.445 173.680 176.094 0.052 0.000 1.104 187 V CA -2.139 60.174 62.300 0.021 0.000 1.006 187 V CB 1.678 33.502 31.823 0.001 0.000 1.058 187 V HN 0.677 nan 8.190 nan 0.000 0.440 188 P HA 0.110 nan 4.420 nan 0.000 0.273 188 P C 0.395 177.744 177.300 0.081 0.000 1.250 188 P CA 0.058 63.199 63.100 0.069 0.000 0.793 188 P CB 0.946 32.688 31.700 0.069 0.000 1.011 189 Q N 0.817 120.678 119.800 0.101 0.000 2.112 189 Q HA -0.174 4.166 4.340 0.000 0.000 0.206 189 Q C 1.515 177.536 176.000 0.034 0.000 0.987 189 Q CA 2.332 58.186 55.803 0.084 0.000 0.858 189 Q CB -0.446 28.381 28.738 0.148 0.000 0.905 189 Q HN 0.354 nan 8.270 nan 0.000 0.420 190 S N -1.753 114.033 115.700 0.144 0.000 2.663 190 S HA 0.317 4.787 4.470 0.000 0.000 0.243 190 S C 0.270 174.958 174.600 0.148 0.000 1.009 190 S CA 0.134 58.389 58.200 0.092 0.000 0.988 190 S CB 0.040 63.320 63.200 0.134 0.000 0.896 190 S HN 0.541 nan 8.310 nan 0.000 0.502 191 M N -0.603 119.065 119.600 0.113 0.000 2.862 191 M HA -0.236 4.244 4.480 0.000 0.000 0.169 191 M C -0.287 176.103 176.300 0.150 0.000 0.663 191 M CA 0.768 56.130 55.300 0.102 0.000 0.641 191 M CB -1.012 31.616 32.600 0.048 0.000 2.326 191 M HN 0.328 nan 8.290 nan 0.000 0.289 192 L N 1.122 122.495 121.223 0.251 0.000 2.657 192 L HA 0.544 4.884 4.340 0.000 0.000 0.239 192 L C 0.036 177.018 176.870 0.187 0.000 1.215 192 L CA 0.468 55.436 54.840 0.212 0.000 1.161 192 L CB 0.903 43.085 42.059 0.204 0.000 1.436 192 L HN 0.199 nan 8.230 nan 0.000 0.414 193 S N 0.957 116.741 115.700 0.141 0.000 2.543 193 S HA 0.353 4.823 4.470 0.000 0.000 0.274 193 S C -0.129 174.537 174.600 0.112 0.000 1.149 193 S CA -0.636 57.624 58.200 0.099 0.000 0.866 193 S CB 0.593 63.829 63.200 0.060 0.000 1.111 193 S HN 0.336 nan 8.310 nan 0.000 0.457 194 F N 1.310 121.162 119.950 -0.162 0.000 2.660 194 F HA 0.556 5.083 4.527 0.000 0.000 0.297 194 F C 0.367 176.077 175.800 -0.151 0.000 1.132 194 F CA -0.648 57.195 58.000 -0.260 0.000 1.372 194 F CB 0.046 38.599 39.000 -0.745 0.000 1.003 194 F HN 0.401 nan 8.300 nan 0.000 0.524 195 D N 0.429 120.680 120.400 -0.249 0.000 2.506 195 D HA 0.273 4.913 4.640 0.000 0.000 0.272 195 D C -0.796 175.492 176.300 -0.021 0.000 1.214 195 D CA -0.467 53.450 54.000 -0.139 0.000 1.067 195 D CB 2.055 42.766 40.800 -0.148 0.000 1.117 195 D HN 0.240 nan 8.370 nan 0.000 0.578 196 C N 1.305 120.607 119.300 0.004 0.000 2.919 196 C HA 0.612 5.072 4.460 0.000 0.000 0.337 196 C C -1.098 173.911 174.990 0.032 0.000 1.039 196 C CA -0.207 58.828 59.018 0.029 0.000 1.373 196 C CB -1.160 26.605 27.740 0.040 0.000 1.843 196 C HN 0.425 nan 8.230 nan 0.000 0.493 197 S N 5.264 120.988 115.700 0.040 0.000 2.578 197 S HA 0.680 5.150 4.470 0.000 0.000 0.285 197 S C -1.945 172.690 174.600 0.057 0.000 1.126 197 S CA -0.494 57.733 58.200 0.044 0.000 0.878 197 S CB 1.069 64.283 63.200 0.023 0.000 1.091 197 S HN 1.045 nan 8.310 nan 0.000 0.450 198 N N 3.117 121.856 118.700 0.064 0.000 2.405 198 N HA 0.404 5.144 4.740 0.000 0.000 0.274 198 N C -2.912 172.608 175.510 0.017 0.000 1.170 198 N CA -1.454 51.630 53.050 0.056 0.000 0.848 198 N CB 1.466 39.997 38.487 0.073 0.000 1.629 198 N HN 0.280 nan 8.380 nan 0.000 0.481 199 P HA -0.083 nan 4.420 nan 0.000 0.218 199 P C 1.479 178.708 177.300 -0.119 0.000 1.146 199 P CA 0.793 63.856 63.100 -0.062 0.000 0.813 199 P CB 0.370 32.076 31.700 0.010 0.000 0.778 200 L N -3.263 117.859 121.223 -0.168 0.000 2.131 200 L HA 0.052 4.392 4.340 0.000 0.000 0.206 200 L C 1.809 178.354 176.870 -0.541 0.000 1.087 200 L CA 1.731 56.333 54.840 -0.398 0.000 0.767 200 L CB -0.543 41.186 42.059 -0.550 0.000 0.917 200 L HN -0.081 nan 8.230 nan 0.000 0.441 201 F N -1.692 118.251 119.950 -0.011 0.000 2.767 201 F HA 0.461 4.988 4.527 0.000 0.000 0.323 201 F C 1.356 177.146 175.800 -0.017 0.000 1.091 201 F CA 0.117 58.111 58.000 -0.010 0.000 1.192 201 F CB 0.388 39.386 39.000 -0.004 0.000 1.056 201 F HN 0.055 nan 8.300 nan 0.000 0.571 202 G N 1.295 110.164 108.800 0.115 0.000 2.782 202 G HA2 -0.275 3.685 3.960 0.000 0.000 0.228 202 G HA3 -0.275 3.685 3.960 0.000 0.000 0.228 202 G C -0.655 174.283 174.900 0.064 0.000 1.372 202 G CA -0.821 44.315 45.100 0.060 0.000 0.862 202 G HN 0.225 nan 8.290 nan 0.000 0.547 203 Q N -0.266 119.553 119.800 0.032 0.000 2.327 203 Q HA 0.527 4.867 4.340 0.000 0.000 0.254 203 Q C 0.468 176.483 176.000 0.025 0.000 0.952 203 Q CA 0.361 56.179 55.803 0.025 0.000 0.884 203 Q CB 0.452 29.196 28.738 0.010 0.000 1.224 203 Q HN 0.664 nan 8.270 nan 0.000 0.422 204 T N 3.665 118.235 114.554 0.027 0.000 2.882 204 T HA 0.442 4.792 4.350 0.000 0.000 0.287 204 T C -0.378 174.340 174.700 0.030 0.000 0.992 204 T CA -0.446 61.668 62.100 0.023 0.000 1.076 204 T CB 0.690 69.574 68.868 0.027 0.000 0.961 204 T HN 0.479 nan 8.240 nan 0.000 0.490 205 M N 2.646 122.263 119.600 0.029 0.000 2.598 205 M HA 0.343 4.823 4.480 0.000 0.000 0.317 205 M C 0.531 176.875 176.300 0.072 0.000 1.201 205 M CA -0.748 54.577 55.300 0.042 0.000 0.971 205 M CB 1.051 33.666 32.600 0.024 0.000 1.657 205 M HN 0.403 nan 8.290 nan 0.000 0.470 206 N N 2.846 121.604 118.700 0.097 0.000 2.468 206 N HA 0.105 4.845 4.740 0.000 0.000 0.265 206 N C -1.887 173.708 175.510 0.142 0.000 1.199 206 N CA -0.926 52.214 53.050 0.150 0.000 0.928 206 N CB 1.002 39.584 38.487 0.158 0.000 1.059 206 N HN 0.359 nan 8.380 nan 0.000 0.467 207 P HA -0.053 nan 4.420 nan 0.000 0.230 207 P C 0.769 178.095 177.300 0.044 0.000 1.158 207 P CA 0.926 64.071 63.100 0.074 0.000 0.769 207 P CB 0.075 31.800 31.700 0.042 0.000 0.807 208 W N 0.834 122.143 121.300 0.015 0.000 2.494 208 W HA 0.179 4.839 4.660 -0.000 0.000 0.286 208 W C 1.172 177.689 176.519 -0.004 0.000 1.218 208 W CA 0.768 58.117 57.345 0.007 0.000 1.313 208 W CB 0.144 29.609 29.460 0.008 0.000 1.105 208 W HN -0.169 nan 8.180 nan 0.000 0.561 209 K N -0.557 119.965 120.400 0.204 0.000 2.587 209 K HA 0.127 4.447 4.320 0.000 0.000 0.256 209 K C 0.304 176.943 176.600 0.066 0.000 0.974 209 K CA -0.142 56.207 56.287 0.104 0.000 0.855 209 K CB 1.599 34.154 32.500 0.091 0.000 1.292 209 K HN -0.392 nan 8.250 nan 0.000 0.444 210 S N 0.424 116.146 115.700 0.037 0.000 2.469 210 S HA -0.113 4.357 4.470 0.000 0.000 0.238 210 S C 1.488 176.097 174.600 0.014 0.000 0.998 210 S CA 1.618 59.831 58.200 0.023 0.000 0.957 210 S CB -0.029 63.175 63.200 0.007 0.000 0.764 210 S HN 0.721 nan 8.310 nan 0.000 0.514 211 S N 0.073 115.779 115.700 0.010 0.000 2.562 211 S HA 0.174 4.644 4.470 0.000 0.000 0.221 211 S C 0.576 175.171 174.600 -0.010 0.000 0.975 211 S CA -0.005 58.193 58.200 -0.002 0.000 0.918 211 S CB 0.136 63.332 63.200 -0.007 0.000 0.772 211 S HN 0.074 nan 8.310 nan 0.000 0.531 212 K N 1.624 122.023 120.400 -0.001 0.000 2.139 212 K HA 0.456 4.777 4.320 0.000 0.000 0.243 212 K C -0.230 176.380 176.600 0.016 0.000 0.983 212 K CA -0.525 55.752 56.287 -0.017 0.000 0.890 212 K CB 1.412 33.888 32.500 -0.040 0.000 1.090 212 K HN 0.160 nan 8.250 nan 0.000 0.445 213 S N 1.982 117.694 115.700 0.020 0.000 2.549 213 S HA 0.149 4.619 4.470 0.000 0.000 0.279 213 S C -1.619 173.112 174.600 0.218 0.000 1.321 213 S CA -1.183 57.083 58.200 0.109 0.000 1.054 213 S CB 0.367 63.657 63.200 0.150 0.000 0.899 213 S HN 0.285 nan 8.310 nan 0.000 0.497 214 P HA 0.214 nan 4.420 nan 0.000 0.249 214 P C 0.861 178.326 177.300 0.274 0.000 1.241 214 P CA 0.600 63.841 63.100 0.235 0.000 0.781 214 P CB -0.778 31.008 31.700 0.143 0.000 1.088 215 G N -0.623 108.383 108.800 0.343 0.000 2.693 215 G HA2 0.192 4.152 3.960 0.000 0.000 0.226 215 G HA3 0.192 4.152 3.960 0.000 0.000 0.226 215 G C -0.260 174.675 174.900 0.058 0.000 1.354 215 G CA -0.585 44.564 45.100 0.081 0.000 0.873 215 G HN 0.650 nan 8.290 nan 0.000 0.562 216 G N -2.808 106.021 108.800 0.048 0.000 2.387 216 G HA2 0.675 4.635 3.960 0.000 0.000 0.294 216 G HA3 0.675 4.635 3.960 0.000 0.000 0.294 216 G C 0.575 175.558 174.900 0.139 0.000 1.509 216 G CA 0.894 46.044 45.100 0.082 0.000 0.806 216 G HN 2.185 nan 8.290 nan 0.000 0.546 217 S N -1.247 114.523 115.700 0.116 0.000 2.593 217 S HA 0.105 4.575 4.470 0.000 0.000 0.217 217 S C 1.158 175.786 174.600 0.046 0.000 0.966 217 S CA 0.970 59.214 58.200 0.073 0.000 0.914 217 S CB 0.054 63.295 63.200 0.068 0.000 0.776 217 S HN 0.826 nan 8.310 nan 0.000 0.523 218 S N 1.607 117.338 115.700 0.050 0.000 3.324 218 S HA 0.399 4.870 4.470 0.000 0.000 0.229 218 S C 1.362 175.990 174.600 0.048 0.000 1.417 218 S CA -0.188 58.038 58.200 0.043 0.000 1.211 218 S CB 0.100 63.334 63.200 0.056 0.000 1.157 218 S HN 0.634 nan 8.310 nan 0.000 0.491 219 G N 1.768 110.596 108.800 0.047 0.000 2.430 219 G HA2 0.053 4.013 3.960 0.000 0.000 0.216 219 G HA3 0.053 4.013 3.960 0.000 0.000 0.216 219 G C 1.262 176.192 174.900 0.050 0.000 1.146 219 G CA 0.393 45.527 45.100 0.058 0.000 0.793 219 G HN 0.602 nan 8.290 nan 0.000 0.537 220 G N 0.906 109.721 108.800 0.025 0.000 2.433 220 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 220 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 220 G C 1.564 176.470 174.900 0.010 0.000 1.186 220 G CA 1.091 46.193 45.100 0.003 0.000 0.779 220 G HN 0.311 nan 8.290 nan 0.000 0.543 221 E N 0.604 120.815 120.200 0.018 0.000 2.086 221 E HA -0.182 4.168 4.350 0.000 0.000 0.205 221 E C 2.712 179.341 176.600 0.049 0.000 1.027 221 E CA 1.553 57.972 56.400 0.031 0.000 0.830 221 E CB -1.042 28.689 29.700 0.051 0.000 0.751 221 E HN 0.381 nan 8.360 nan 0.000 0.456 222 G N 0.425 109.264 108.800 0.066 0.000 2.448 222 G HA2 -0.081 3.879 3.960 0.000 0.000 0.218 222 G HA3 -0.081 3.879 3.960 0.000 0.000 0.218 222 G C 1.673 176.641 174.900 0.113 0.000 1.135 222 G CA 0.980 46.135 45.100 0.093 0.000 0.784 222 G HN 0.388 nan 8.290 nan 0.000 0.543 223 A N 0.115 122.991 122.820 0.093 0.000 1.968 223 A HA 0.203 4.523 4.320 0.000 0.000 0.217 223 A C 2.232 179.856 177.584 0.067 0.000 1.169 223 A CA 1.271 53.361 52.037 0.089 0.000 0.638 223 A CB -0.222 18.815 19.000 0.062 0.000 0.812 223 A HN 0.364 nan 8.150 nan 0.000 0.446 224 L N -0.192 121.061 121.223 0.051 0.000 2.068 224 L HA 0.085 4.425 4.340 0.000 0.000 0.204 224 L C 2.148 179.068 176.870 0.082 0.000 1.076 224 L CA 1.538 56.407 54.840 0.048 0.000 0.753 224 L CB -0.479 41.587 42.059 0.011 0.000 0.910 224 L HN 0.409 nan 8.230 nan 0.000 0.439 225 I N -0.349 120.272 120.570 0.085 0.000 2.233 225 I HA -0.027 4.143 4.170 0.000 0.000 0.243 225 I C 1.399 177.586 176.117 0.117 0.000 1.093 225 I CA 0.632 61.992 61.300 0.099 0.000 1.380 225 I CB -1.018 37.029 38.000 0.079 0.000 1.067 225 I HN 0.311 nan 8.210 nan 0.000 0.413 226 G N 0.201 109.083 108.800 0.136 0.000 2.398 226 G HA2 0.243 4.203 3.960 0.000 0.000 0.246 226 G HA3 0.243 4.203 3.960 0.000 0.000 0.246 226 G C 0.864 175.823 174.900 0.098 0.000 1.289 226 G CA 0.451 45.655 45.100 0.172 0.000 0.869 226 G HN 0.559 nan 8.290 nan 0.000 0.543 227 S N 0.153 115.866 115.700 0.022 0.000 2.769 227 S HA -0.145 4.325 4.470 0.000 0.000 0.264 227 S C 2.017 176.624 174.600 0.012 0.000 1.288 227 S CA 1.534 59.711 58.200 -0.038 0.000 1.378 227 S CB -1.537 61.634 63.200 -0.049 0.000 1.702 227 S HN 2.989 nan 8.310 nan 0.000 0.656 228 G N 0.168 109.010 108.800 0.070 0.000 2.157 228 G HA2 0.016 3.976 3.960 0.000 0.000 0.248 228 G HA3 0.016 3.976 3.960 0.000 0.000 0.248 228 G C 1.447 176.470 174.900 0.204 0.000 0.979 228 G CA 0.855 46.025 45.100 0.117 0.000 0.650 228 G HN 1.926 nan 8.290 nan 0.000 0.529 229 G N -0.591 108.320 108.800 0.185 0.000 2.679 229 G HA2 0.386 4.346 3.960 0.000 0.000 0.212 229 G HA3 0.386 4.346 3.960 0.000 0.000 0.212 229 G C 0.554 175.706 174.900 0.420 0.000 1.137 229 G CA 1.703 46.958 45.100 0.258 0.000 0.787 229 G HN 1.636 nan 8.290 nan 0.000 0.534 230 S N -1.017 114.871 115.700 0.314 0.000 2.535 230 S HA 0.512 4.982 4.470 0.000 0.000 0.272 230 S C -2.249 172.296 174.600 -0.092 0.000 1.149 230 S CA -0.856 57.391 58.200 0.079 0.000 0.888 230 S CB 2.227 65.518 63.200 0.152 0.000 1.110 230 S HN -0.114 nan 8.310 nan 0.000 0.463 231 P HA 0.217 nan 4.420 nan 0.000 0.225 231 P C -0.157 177.091 177.300 -0.087 0.000 1.156 231 P CA 0.382 63.355 63.100 -0.211 0.000 0.787 231 P CB 0.103 31.605 31.700 -0.330 0.000 0.802 232 L N -1.481 119.697 121.223 -0.074 0.000 2.592 232 L HA 0.727 5.067 4.340 0.000 0.000 0.258 232 L C -1.074 175.782 176.870 -0.023 0.000 0.926 232 L CA -0.409 54.403 54.840 -0.046 0.000 0.885 232 L CB 1.836 43.852 42.059 -0.071 0.000 1.380 232 L HN 0.031 nan 8.230 nan 0.000 0.415 233 G N 2.866 111.655 108.800 -0.019 0.000 2.692 233 G HA2 0.678 4.638 3.960 0.000 0.000 0.291 233 G HA3 0.678 4.638 3.960 0.000 0.000 0.291 233 G C -2.588 172.308 174.900 -0.008 0.000 1.423 233 G CA -0.591 44.502 45.100 -0.011 0.000 0.843 233 G HN 0.498 nan 8.290 nan 0.000 0.486 234 L N 0.380 121.609 121.223 0.011 0.000 2.385 234 L HA 0.865 5.205 4.340 0.000 0.000 0.273 234 L C 0.600 177.678 176.870 0.347 0.000 0.990 234 L CA -0.173 54.696 54.840 0.050 0.000 0.821 234 L CB 1.767 43.642 42.059 -0.306 0.000 1.279 234 L HN 0.942 nan 8.230 nan 0.000 0.412 235 G N 0.681 109.689 108.800 0.346 0.000 3.140 235 G HA2 0.785 4.745 3.960 0.000 0.000 0.271 235 G HA3 0.785 4.745 3.960 0.000 0.000 0.271 235 G C -1.065 173.968 174.900 0.223 0.000 1.370 235 G CA -0.074 45.196 45.100 0.282 0.000 1.014 235 G HN 0.599 nan 8.290 nan 0.000 0.541 236 T N -2.198 112.381 114.554 0.042 0.000 2.906 236 T HA 0.671 5.021 4.350 0.000 0.000 0.295 236 T C -1.852 172.856 174.700 0.014 0.000 1.075 236 T CA -0.745 61.355 62.100 -0.001 0.000 1.005 236 T CB 2.641 71.435 68.868 -0.122 0.000 1.136 236 T HN 0.511 nan 8.240 nan 0.000 0.498 237 D N 0.527 120.936 120.400 0.016 0.000 2.764 237 D HA 0.313 4.953 4.640 0.000 0.000 0.227 237 D C -0.527 175.776 176.300 0.004 0.000 1.347 237 D CA -0.560 53.447 54.000 0.012 0.000 0.953 237 D CB 1.805 42.608 40.800 0.006 0.000 1.476 237 D HN 0.643 nan 8.370 nan 0.000 0.585 238 I N 1.974 122.544 120.570 -0.000 0.000 4.240 238 I HA 0.318 4.488 4.170 0.000 0.000 0.331 238 I C 1.010 177.108 176.117 -0.032 0.000 1.381 238 I CA 0.147 61.436 61.300 -0.018 0.000 1.136 238 I CB 0.763 38.749 38.000 -0.023 0.000 1.137 238 I HN 0.484 nan 8.210 nan 0.000 0.411 239 G N -0.561 108.234 108.800 -0.007 0.000 2.800 239 G HA2 0.313 4.273 3.960 0.000 0.000 0.180 239 G HA3 0.313 4.273 3.960 0.000 0.000 0.180 239 G C 0.854 175.772 174.900 0.031 0.000 1.297 239 G CA 0.658 45.759 45.100 0.001 0.000 0.884 239 G HN 0.333 nan 8.290 nan 0.000 0.869 240 G N 0.049 108.853 108.800 0.007 0.000 3.784 240 G HA2 -0.045 3.915 3.960 0.000 0.000 0.220 240 G HA3 -0.045 3.915 3.960 0.000 0.000 0.220 240 G C 0.984 175.840 174.900 -0.074 0.000 0.895 240 G CA 0.787 45.752 45.100 -0.224 0.000 0.939 240 G HN 0.196 nan 8.290 nan 0.000 0.708 241 S N 0.047 115.791 115.700 0.072 0.000 2.447 241 S HA 0.110 4.580 4.470 0.000 0.000 0.233 241 S C 2.137 176.764 174.600 0.046 0.000 1.006 241 S CA 0.986 59.250 58.200 0.107 0.000 0.957 241 S CB -0.058 63.191 63.200 0.082 0.000 0.773 241 S HN 0.470 nan 8.310 nan 0.000 0.507 242 I N 0.437 121.008 120.570 0.002 0.000 2.584 242 I HA -0.018 4.152 4.170 0.000 0.000 0.255 242 I C 2.426 178.514 176.117 -0.048 0.000 1.145 242 I CA 0.737 62.036 61.300 -0.001 0.000 1.462 242 I CB 0.054 38.063 38.000 0.015 0.000 1.102 242 I HN 0.121 nan 8.210 nan 0.000 0.433 243 R N -0.356 120.061 120.500 -0.138 0.000 2.075 243 R HA 0.036 4.376 4.340 0.000 0.000 0.220 243 R C 2.173 178.307 176.300 -0.277 0.000 1.118 243 R CA 0.925 56.892 56.100 -0.222 0.000 0.986 243 R CB -0.417 29.701 30.300 -0.303 0.000 0.884 243 R HN 0.041 nan 8.270 nan 0.000 0.439 244 F N 1.636 121.444 119.950 -0.236 0.000 2.039 244 F HA -0.237 4.290 4.527 0.000 0.000 0.296 244 F C -0.535 174.936 175.800 -0.548 0.000 1.119 244 F CA 1.747 59.431 58.000 -0.527 0.000 1.211 244 F CB -1.739 36.914 39.000 -0.577 0.000 0.956 244 F HN 0.104 nan 8.300 nan 0.000 0.496 245 P HA -0.034 nan 4.420 nan 0.000 0.222 245 P C 1.584 178.923 177.300 0.065 0.000 1.153 245 P CA 1.550 64.650 63.100 -0.000 0.000 0.798 245 P CB -0.041 31.684 31.700 0.042 0.000 0.796 246 S N 0.722 116.438 115.700 0.027 0.000 2.359 246 S HA -0.142 4.328 4.470 0.000 0.000 0.224 246 S C 2.217 176.854 174.600 0.061 0.000 1.035 246 S CA 1.707 59.930 58.200 0.039 0.000 1.018 246 S CB -1.045 62.156 63.200 0.002 0.000 0.876 246 S HN 0.217 nan 8.310 nan 0.000 0.448 247 A N 0.499 123.356 122.820 0.062 0.000 1.968 247 A HA 0.061 4.381 4.320 0.000 0.000 0.217 247 A C 1.717 179.470 177.584 0.282 0.000 1.169 247 A CA 1.049 53.168 52.037 0.135 0.000 0.638 247 A CB -0.559 18.531 19.000 0.150 0.000 0.812 247 A HN 0.456 nan 8.150 nan 0.000 0.446 248 F N -1.064 118.902 119.950 0.027 0.000 2.512 248 F HA 0.009 4.536 4.527 -0.000 0.000 0.296 248 F C 2.013 177.771 175.800 -0.070 0.000 1.110 248 F CA -0.215 57.787 58.000 0.003 0.000 1.446 248 F CB -0.644 38.408 39.000 0.086 0.000 1.092 248 F HN 0.251 nan 8.300 nan 0.000 0.554 249 C N -1.133 118.269 119.300 0.170 0.000 3.183 249 C HA 0.543 5.003 4.460 0.000 0.000 0.285 249 C C 1.834 176.915 174.990 0.152 0.000 1.313 249 C CA 0.152 59.271 59.018 0.169 0.000 1.711 249 C CB -0.387 27.512 27.740 0.264 0.000 2.135 249 C HN 0.655 nan 8.230 nan 0.000 0.651 250 G N 2.139 110.955 108.800 0.026 0.000 2.147 250 G HA2 -0.250 3.710 3.960 0.000 0.000 0.244 250 G HA3 -0.250 3.710 3.960 0.000 0.000 0.244 250 G C -0.042 174.926 174.900 0.114 0.000 1.005 250 G CA 0.677 45.793 45.100 0.026 0.000 0.713 250 G HN 0.711 nan 8.290 nan 0.000 0.515 251 I N -2.644 117.995 120.570 0.116 0.000 3.078 251 I HA 0.766 4.936 4.170 0.000 0.000 0.318 251 I C 0.828 176.977 176.117 0.055 0.000 1.016 251 I CA -1.418 59.940 61.300 0.096 0.000 1.130 251 I CB 1.072 39.135 38.000 0.104 0.000 1.397 251 I HN 0.043 nan 8.210 nan 0.000 0.570 252 C N 1.998 121.324 119.300 0.043 0.000 2.350 252 C HA 0.871 5.331 4.460 0.000 0.000 0.348 252 C C 0.541 175.542 174.990 0.019 0.000 1.260 252 C CA -0.077 58.955 59.018 0.023 0.000 1.966 252 C CB -0.013 27.740 27.740 0.021 0.000 2.380 252 C HN 0.990 nan 8.230 nan 0.000 0.535 253 G N 2.078 110.882 108.800 0.006 0.000 2.706 253 G HA2 0.638 4.598 3.960 0.000 0.000 0.297 253 G HA3 0.638 4.598 3.960 0.000 0.000 0.297 253 G C -1.892 173.008 174.900 -0.000 0.000 1.403 253 G CA -0.355 44.748 45.100 0.005 0.000 0.954 253 G HN 0.720 nan 8.290 nan 0.000 0.500 254 L N 0.567 121.795 121.223 0.010 0.000 2.365 254 L HA 0.769 5.109 4.340 0.000 0.000 0.273 254 L C -0.266 176.617 176.870 0.021 0.000 1.000 254 L CA -0.896 53.953 54.840 0.016 0.000 0.819 254 L CB 2.017 44.094 42.059 0.030 0.000 1.284 254 L HN 0.418 nan 8.230 nan 0.000 0.418 255 K N 6.178 126.588 120.400 0.016 0.000 2.299 255 K HA 0.507 4.827 4.320 0.000 0.000 0.268 255 K C -2.563 174.051 176.600 0.024 0.000 1.075 255 K CA -1.807 54.493 56.287 0.022 0.000 0.936 255 K CB 1.063 33.569 32.500 0.010 0.000 1.228 255 K HN 0.417 nan 8.250 nan 0.000 0.454 256 P HA -0.011 nan 4.420 nan 0.000 0.269 256 P C -0.784 176.498 177.300 -0.029 0.000 1.215 256 P CA -0.055 63.059 63.100 0.024 0.000 0.780 256 P CB 0.422 32.161 31.700 0.066 0.000 0.898 257 T N 1.876 116.358 114.554 -0.121 0.000 2.781 257 T HA -0.076 4.274 4.350 0.000 0.000 0.270 257 T C 1.921 176.490 174.700 -0.219 0.000 1.022 257 T CA 0.868 62.785 62.100 -0.304 0.000 1.144 257 T CB -0.175 68.248 68.868 -0.742 0.000 1.039 257 T HN 0.658 nan 8.240 nan 0.000 0.494 258 G N 2.521 111.211 108.800 -0.182 0.000 2.649 258 G HA2 -0.375 3.585 3.960 0.000 0.000 0.220 258 G HA3 -0.375 3.585 3.960 0.000 0.000 0.220 258 G C 1.170 176.082 174.900 0.020 0.000 1.189 258 G CA 1.151 46.217 45.100 -0.056 0.000 0.777 258 G HN 0.843 nan 8.290 nan 0.000 0.602 259 N N -0.397 118.330 118.700 0.045 0.000 2.383 259 N HA 0.039 4.779 4.740 0.000 0.000 0.192 259 N C 2.085 177.816 175.510 0.370 0.000 1.141 259 N CA -0.290 52.901 53.050 0.235 0.000 0.851 259 N CB 0.054 38.760 38.487 0.365 0.000 0.976 259 N HN 0.072 nan 8.380 nan 0.000 0.465 260 R N 0.292 120.983 120.500 0.319 0.000 2.120 260 R HA 0.108 4.448 4.340 0.000 0.000 0.234 260 R C 0.133 176.613 176.300 0.300 0.000 1.123 260 R CA 1.155 57.497 56.100 0.403 0.000 0.975 260 R CB 0.027 30.505 30.300 0.297 0.000 0.866 260 R HN 0.164 nan 8.270 nan 0.000 0.446 261 L N -1.211 120.142 121.223 0.216 0.000 2.303 261 L HA 0.411 4.751 4.340 0.000 0.000 0.266 261 L C 0.017 176.985 176.870 0.163 0.000 1.011 261 L CA -1.097 53.846 54.840 0.171 0.000 0.818 261 L CB 1.761 43.897 42.059 0.128 0.000 1.326 261 L HN -0.141 nan 8.230 nan 0.000 0.435 262 S N -0.175 115.606 115.700 0.136 0.000 2.565 262 S HA 0.247 4.717 4.470 0.000 0.000 0.274 262 S C 0.069 174.754 174.600 0.142 0.000 1.309 262 S CA -0.484 57.794 58.200 0.129 0.000 1.043 262 S CB 0.416 63.677 63.200 0.101 0.000 0.939 262 S HN 0.609 nan 8.310 nan 0.000 0.504 263 K N 2.731 123.210 120.400 0.131 0.000 2.726 263 K HA 0.266 4.586 4.320 0.000 0.000 0.209 263 K C 1.145 177.810 176.600 0.107 0.000 1.082 263 K CA -0.267 56.100 56.287 0.135 0.000 1.081 263 K CB 0.456 33.026 32.500 0.117 0.000 0.830 263 K HN 0.371 nan 8.250 nan 0.000 0.470 264 S N 0.750 116.507 115.700 0.096 0.000 2.382 264 S HA -0.087 4.383 4.470 0.000 0.000 0.228 264 S C 1.589 176.222 174.600 0.055 0.000 1.027 264 S CA 1.466 59.705 58.200 0.064 0.000 0.991 264 S CB -0.095 63.139 63.200 0.056 0.000 0.823 264 S HN 0.621 nan 8.310 nan 0.000 0.469 265 G N 0.340 109.192 108.800 0.086 0.000 3.575 265 G HA2 0.403 4.363 3.960 0.000 0.000 0.273 265 G HA3 0.403 4.363 3.960 0.000 0.000 0.273 265 G C -0.259 174.707 174.900 0.110 0.000 1.053 265 G CA -0.407 44.744 45.100 0.085 0.000 0.803 265 G HN 0.349 nan 8.290 nan 0.000 0.528 266 L N 1.062 122.350 121.223 0.107 0.000 2.367 266 L HA 0.352 4.692 4.340 0.000 0.000 0.275 266 L C 0.449 177.381 176.870 0.104 0.000 1.129 266 L CA -0.279 54.604 54.840 0.072 0.000 0.839 266 L CB 1.234 43.317 42.059 0.039 0.000 1.133 266 L HN -0.058 nan 8.230 nan 0.000 0.453 267 K N 2.484 122.924 120.400 0.067 0.000 2.276 267 K HA 0.594 4.914 4.320 0.000 0.000 0.285 267 K C -0.171 176.486 176.600 0.095 0.000 1.062 267 K CA -0.043 56.319 56.287 0.126 0.000 0.918 267 K CB 0.862 33.402 32.500 0.066 0.000 1.055 267 K HN 0.647 nan 8.250 nan 0.000 0.477 268 G N 1.527 110.435 108.800 0.180 0.000 2.537 268 G HA2 0.274 4.234 3.960 0.000 0.000 0.308 268 G HA3 0.274 4.234 3.960 0.000 0.000 0.308 268 G C 0.296 174.947 174.900 -0.415 0.000 1.237 268 G CA -0.573 44.446 45.100 -0.136 0.000 0.968 268 G HN 0.880 nan 8.290 nan 0.000 0.481 269 C N 0.224 119.331 119.300 -0.322 0.000 2.611 269 C HA 0.482 4.942 4.460 0.000 0.000 0.282 269 C C 0.978 175.773 174.990 -0.324 0.000 1.321 269 C CA 0.727 59.574 59.018 -0.286 0.000 1.747 269 C CB -1.153 26.497 27.740 -0.151 0.000 2.124 269 C HN 0.847 nan 8.230 nan 0.000 0.531 270 V N -1.221 118.514 119.914 -0.298 0.000 2.919 270 V HA 0.778 4.898 4.120 0.000 0.000 0.316 270 V C -1.472 174.365 176.094 -0.429 0.000 1.077 270 V CA -0.752 61.385 62.300 -0.270 0.000 0.977 270 V CB 1.375 33.214 31.823 0.026 0.000 1.039 270 V HN 0.348 nan 8.190 nan 0.000 0.441 271 Y N 0.993 121.337 120.300 0.074 0.000 2.492 271 Y HA 0.790 5.340 4.550 0.000 0.000 0.346 271 Y C 0.880 176.817 175.900 0.061 0.000 0.997 271 Y CA -0.358 57.777 58.100 0.058 0.000 1.025 271 Y CB 2.256 40.746 38.460 0.049 0.000 1.263 271 Y HN 1.249 nan 8.280 nan 0.000 0.454 272 G N 1.279 110.220 108.800 0.236 0.000 2.141 272 G HA2 -0.216 3.744 3.960 0.000 0.000 0.231 272 G HA3 -0.216 3.744 3.960 0.000 0.000 0.231 272 G C -0.114 174.859 174.900 0.121 0.000 0.984 272 G CA -0.413 44.780 45.100 0.156 0.000 0.660 272 G HN 0.479 nan 8.290 nan 0.000 0.525 273 Q N 1.216 121.081 119.800 0.109 0.000 2.307 273 Q HA 0.475 4.815 4.340 0.000 0.000 0.259 273 Q C 1.305 177.345 176.000 0.066 0.000 0.998 273 Q CA 0.921 56.769 55.803 0.075 0.000 0.923 273 Q CB 0.764 29.533 28.738 0.052 0.000 1.196 273 Q HN 0.537 nan 8.270 nan 0.000 0.416 274 T N -0.394 114.198 114.554 0.063 0.000 3.040 274 T HA 0.473 4.823 4.350 0.000 0.000 0.266 274 T C 0.297 175.021 174.700 0.040 0.000 1.005 274 T CA 0.002 62.137 62.100 0.057 0.000 0.906 274 T CB 0.575 69.485 68.868 0.069 0.000 1.082 274 T HN 0.426 nan 8.240 nan 0.000 0.531 275 A N 1.673 124.509 122.820 0.028 0.000 2.267 275 A HA 0.714 5.034 4.320 0.000 0.000 0.315 275 A C -0.062 177.508 177.584 -0.024 0.000 1.297 275 A CA -0.720 51.323 52.037 0.010 0.000 0.865 275 A CB 0.215 19.226 19.000 0.018 0.000 1.165 275 A HN 0.885 nan 8.150 nan 0.000 0.513 276 V N 2.423 122.318 119.914 -0.032 0.000 3.379 276 V HA -0.144 3.976 4.120 0.000 0.000 0.484 276 V C -0.668 175.407 176.094 -0.032 0.000 0.682 276 V CA 0.296 62.565 62.300 -0.052 0.000 2.029 276 V CB -0.884 30.884 31.823 -0.091 0.000 2.475 276 V HN 0.984 nan 8.190 nan 0.000 0.502 277 Q N 3.255 123.040 119.800 -0.026 0.000 2.293 277 Q HA 0.618 4.958 4.340 0.000 0.000 0.261 277 Q C -0.307 175.691 176.000 -0.004 0.000 0.960 277 Q CA -0.988 54.810 55.803 -0.008 0.000 0.882 277 Q CB 2.367 31.097 28.738 -0.013 0.000 1.275 277 Q HN 0.711 nan 8.270 nan 0.000 0.445 278 L N 2.360 123.592 121.223 0.014 0.000 2.416 278 L HA 0.252 4.592 4.340 0.000 0.000 0.272 278 L C -0.716 176.172 176.870 0.030 0.000 1.161 278 L CA 0.664 55.517 54.840 0.021 0.000 0.845 278 L CB 0.688 42.768 42.059 0.035 0.000 1.119 278 L HN 0.616 nan 8.230 nan 0.000 0.464 279 S N 5.192 120.911 115.700 0.032 0.000 2.536 279 S HA 0.750 5.220 4.470 0.000 0.000 0.271 279 S C -0.838 173.804 174.600 0.069 0.000 1.134 279 S CA -0.974 57.255 58.200 0.048 0.000 0.897 279 S CB 1.263 64.480 63.200 0.028 0.000 1.094 279 S HN 0.665 nan 8.310 nan 0.000 0.473 280 L N -0.252 121.039 121.223 0.113 0.000 2.313 280 L HA 1.121 5.461 4.340 0.000 0.000 0.268 280 L C 0.248 177.204 176.870 0.144 0.000 1.010 280 L CA -0.622 54.323 54.840 0.175 0.000 0.814 280 L CB 1.228 43.480 42.059 0.321 0.000 1.304 280 L HN 1.041 nan 8.230 nan 0.000 0.441 281 G N -0.511 108.376 108.800 0.146 0.000 2.322 281 G HA2 0.476 4.436 3.960 0.000 0.000 0.295 281 G HA3 0.476 4.436 3.960 0.000 0.000 0.295 281 G C -3.384 171.551 174.900 0.058 0.000 1.369 281 G CA -0.679 44.469 45.100 0.080 0.000 0.821 281 G HN 0.559 nan 8.290 nan 0.000 0.536 282 P HA 0.595 nan 4.420 nan 0.000 0.279 282 P C -0.834 176.473 177.300 0.012 0.000 1.252 282 P CA -0.331 62.768 63.100 -0.001 0.000 0.811 282 P CB 1.409 33.090 31.700 -0.031 0.000 1.035 283 M N 1.185 120.791 119.600 0.010 0.000 2.271 283 M HA 0.656 5.136 4.480 0.000 0.000 0.285 283 M C -0.867 175.441 176.300 0.013 0.000 1.059 283 M CA -0.195 55.117 55.300 0.020 0.000 0.940 283 M CB 2.509 35.131 32.600 0.036 0.000 1.636 283 M HN 0.538 nan 8.290 nan 0.000 0.460 284 A N 2.281 125.113 122.820 0.020 0.000 2.557 284 A HA 0.621 4.941 4.320 0.000 0.000 0.292 284 A C -0.193 177.415 177.584 0.041 0.000 1.139 284 A CA -0.685 51.365 52.037 0.021 0.000 0.665 284 A CB 1.367 20.369 19.000 0.003 0.000 1.285 284 A HN 0.877 nan 8.150 nan 0.000 0.433 285 R N -0.400 120.129 120.500 0.048 0.000 2.193 285 R HA 0.022 4.362 4.340 0.000 0.000 0.213 285 R C -0.638 175.696 176.300 0.057 0.000 1.055 285 R CA 1.694 57.834 56.100 0.066 0.000 0.995 285 R CB -0.062 30.284 30.300 0.077 0.000 0.893 285 R HN 0.846 nan 8.270 nan 0.000 0.459 286 D N -2.889 117.538 120.400 0.044 0.000 2.596 286 D HA 0.024 4.664 4.640 0.000 0.000 0.234 286 D C 0.625 176.949 176.300 0.041 0.000 1.181 286 D CA -0.716 53.310 54.000 0.043 0.000 0.856 286 D CB 1.418 42.247 40.800 0.048 0.000 1.498 286 D HN -0.195 nan 8.370 nan 0.000 0.446 287 V N 0.077 120.023 119.914 0.054 0.000 2.515 287 V HA -0.119 4.001 4.120 0.000 0.000 0.250 287 V C 1.542 177.690 176.094 0.090 0.000 1.058 287 V CA 1.662 64.005 62.300 0.072 0.000 1.064 287 V CB -0.709 31.170 31.823 0.093 0.000 0.675 287 V HN 0.591 nan 8.190 nan 0.000 0.461 288 E N 1.102 121.372 120.200 0.116 0.000 2.204 288 E HA -0.109 4.241 4.350 0.000 0.000 0.195 288 E C 2.361 178.970 176.600 0.015 0.000 0.990 288 E CA 1.677 58.155 56.400 0.130 0.000 0.821 288 E CB -0.274 29.504 29.700 0.130 0.000 0.750 288 E HN 0.752 nan 8.360 nan 0.000 0.477 289 S N 0.100 115.799 115.700 -0.002 0.000 2.371 289 S HA -0.060 4.410 4.470 0.000 0.000 0.224 289 S C 1.897 176.447 174.600 -0.083 0.000 1.029 289 S CA 0.684 58.860 58.200 -0.040 0.000 0.978 289 S CB -0.180 63.007 63.200 -0.021 0.000 0.833 289 S HN 0.183 nan 8.310 nan 0.000 0.466 290 L N 1.611 122.795 121.223 -0.065 0.000 1.989 290 L HA -0.129 4.211 4.340 0.000 0.000 0.211 290 L C 2.856 179.619 176.870 -0.177 0.000 1.071 290 L CA 1.365 56.156 54.840 -0.083 0.000 0.749 290 L CB -0.929 41.111 42.059 -0.032 0.000 0.890 290 L HN 0.311 nan 8.230 nan 0.000 0.431 291 A N -0.125 122.545 122.820 -0.250 0.000 1.978 291 A HA -0.190 4.130 4.320 0.000 0.000 0.220 291 A C 2.350 179.542 177.584 -0.652 0.000 1.170 291 A CA 1.540 53.233 52.037 -0.573 0.000 0.636 291 A CB -0.673 17.824 19.000 -0.838 0.000 0.810 291 A HN 0.399 nan 8.150 nan 0.000 0.448 292 L N -1.127 119.887 121.223 -0.349 0.000 1.988 292 L HA -0.211 4.129 4.340 0.000 0.000 0.207 292 L C 2.772 179.477 176.870 -0.274 0.000 1.071 292 L CA 1.828 56.504 54.840 -0.272 0.000 0.744 292 L CB -0.524 41.453 42.059 -0.137 0.000 0.893 292 L HN 0.584 nan 8.230 nan 0.000 0.433 293 C N 0.095 119.269 119.300 -0.210 0.000 2.393 293 C HA -0.249 4.211 4.460 0.000 0.000 0.276 293 C C 2.753 177.625 174.990 -0.196 0.000 1.215 293 C CA 1.110 60.025 59.018 -0.171 0.000 1.743 293 C CB -0.987 26.676 27.740 -0.129 0.000 2.044 293 C HN 0.528 nan 8.230 nan 0.000 0.464 294 L N 0.566 121.648 121.223 -0.236 0.000 2.187 294 L HA -0.166 4.174 4.340 0.000 0.000 0.213 294 L C 2.702 179.402 176.870 -0.284 0.000 1.100 294 L CA 2.063 56.782 54.840 -0.201 0.000 0.765 294 L CB -0.720 41.254 42.059 -0.141 0.000 0.904 294 L HN 0.536 nan 8.230 nan 0.000 0.437 295 K N -0.250 119.803 120.400 -0.577 0.000 2.116 295 K HA -0.099 4.221 4.320 0.000 0.000 0.203 295 K C 1.935 178.430 176.600 -0.176 0.000 1.052 295 K CA 1.039 57.053 56.287 -0.455 0.000 0.952 295 K CB 0.081 32.166 32.500 -0.693 0.000 0.729 295 K HN 0.270 nan 8.250 nan 0.000 0.446 296 A N 1.040 123.752 122.820 -0.180 0.000 1.968 296 A HA -0.047 4.273 4.320 0.000 0.000 0.217 296 A C 1.933 179.454 177.584 -0.106 0.000 1.169 296 A CA 0.703 52.673 52.037 -0.112 0.000 0.638 296 A CB -0.306 18.629 19.000 -0.109 0.000 0.812 296 A HN 0.259 nan 8.150 nan 0.000 0.446 297 L N -0.834 120.315 121.223 -0.122 0.000 2.056 297 L HA 0.047 4.387 4.340 0.000 0.000 0.207 297 L C 0.787 177.556 176.870 -0.169 0.000 1.078 297 L CA 1.101 55.866 54.840 -0.126 0.000 0.749 297 L CB -0.655 41.345 42.059 -0.099 0.000 0.901 297 L HN 0.252 nan 8.230 nan 0.000 0.433 298 L N 0.814 121.978 121.223 -0.099 0.000 2.391 298 L HA 0.129 4.469 4.340 0.000 0.000 0.249 298 L C 0.067 176.883 176.870 -0.090 0.000 1.308 298 L CA -0.245 54.559 54.840 -0.060 0.000 1.209 298 L CB -1.148 41.053 42.059 0.237 0.000 1.401 298 L HN 0.385 nan 8.230 nan 0.000 0.416 299 C N -1.928 117.122 119.300 -0.417 0.000 3.154 299 C HA 0.776 5.236 4.460 0.000 0.000 0.312 299 C C 1.548 176.338 174.990 -0.333 0.000 1.349 299 C CA -0.222 58.685 59.018 -0.184 0.000 1.518 299 C CB 1.331 29.032 27.740 -0.064 0.000 1.934 299 C HN 0.571 nan 8.230 nan 0.000 0.462 300 E N -1.001 119.165 120.200 -0.057 0.000 2.463 300 E HA -0.133 4.217 4.350 0.000 0.000 0.201 300 E C 1.438 177.941 176.600 -0.162 0.000 1.045 300 E CA 1.723 58.114 56.400 -0.014 0.000 0.872 300 E CB -0.857 28.818 29.700 -0.042 0.000 0.797 300 E HN 0.856 nan 8.360 nan 0.000 0.538 301 H N -1.236 117.765 119.070 -0.115 0.000 2.431 301 H HA 0.181 4.737 4.556 0.000 0.000 0.295 301 H C 2.304 177.554 175.328 -0.130 0.000 1.038 301 H CA 1.106 57.097 56.048 -0.095 0.000 1.360 301 H CB 0.059 29.765 29.762 -0.093 0.000 1.433 301 H HN 0.418 nan 8.280 nan 0.000 0.536 302 L N 0.449 121.582 121.223 -0.151 0.000 2.017 302 L HA -0.173 4.167 4.340 0.000 0.000 0.208 302 L C 1.891 178.688 176.870 -0.122 0.000 1.073 302 L CA 1.325 56.028 54.840 -0.228 0.000 0.745 302 L CB -0.338 41.447 42.059 -0.457 0.000 0.894 302 L HN -0.018 nan 8.230 nan 0.000 0.432 303 F N -1.030 118.939 119.950 0.031 0.000 2.325 303 F HA -0.097 4.430 4.527 0.000 0.000 0.299 303 F C 2.500 178.303 175.800 0.004 0.000 1.090 303 F CA 1.195 59.202 58.000 0.012 0.000 1.392 303 F CB -1.530 37.468 39.000 -0.003 0.000 1.053 303 F HN 0.010 nan 8.300 nan 0.000 0.521 304 T N 0.077 114.713 114.554 0.138 0.000 2.809 304 T HA 0.055 4.405 4.350 0.000 0.000 0.260 304 T C 1.068 175.807 174.700 0.065 0.000 1.039 304 T CA 0.552 62.698 62.100 0.077 0.000 1.141 304 T CB -0.371 68.515 68.868 0.030 0.000 0.869 304 T HN -0.059 nan 8.240 nan 0.000 0.437 305 L N 3.024 124.281 121.223 0.057 0.000 2.404 305 L HA 0.236 4.576 4.340 0.000 0.000 0.277 305 L C -0.532 176.370 176.870 0.053 0.000 1.184 305 L CA -0.201 54.667 54.840 0.046 0.000 1.013 305 L CB -0.155 41.924 42.059 0.034 0.000 1.318 305 L HN 0.238 nan 8.230 nan 0.000 0.435 306 D N 2.086 122.523 120.400 0.061 0.000 3.579 306 D HA -0.080 4.560 4.640 0.000 0.000 0.236 306 D C -1.953 174.411 176.300 0.106 0.000 1.020 306 D CA -0.313 53.732 54.000 0.076 0.000 1.030 306 D CB 0.167 41.014 40.800 0.078 0.000 0.902 306 D HN 0.193 nan 8.370 nan 0.000 0.409 307 P HA -0.089 nan 4.420 nan 0.000 0.231 307 P C 1.489 178.827 177.300 0.062 0.000 1.158 307 P CA 1.611 64.757 63.100 0.076 0.000 0.763 307 P CB 0.030 31.756 31.700 0.043 0.000 0.805 308 T N -4.062 110.534 114.554 0.070 0.000 2.915 308 T HA -0.018 4.332 4.350 0.000 0.000 0.269 308 T C 0.867 175.618 174.700 0.086 0.000 1.071 308 T CA 0.354 62.493 62.100 0.066 0.000 1.132 308 T CB -1.025 67.884 68.868 0.068 0.000 0.878 308 T HN -0.163 nan 8.240 nan 0.000 0.479 309 V N 4.875 124.866 119.914 0.128 0.000 2.572 309 V HA 0.268 4.388 4.120 0.000 0.000 0.291 309 V C -1.961 174.183 176.094 0.082 0.000 1.039 309 V CA -1.928 60.474 62.300 0.171 0.000 1.055 309 V CB 0.651 32.634 31.823 0.268 0.000 0.969 309 V HN 0.388 nan 8.190 nan 0.000 0.482 310 P HA 0.179 nan 4.420 nan 0.000 0.271 310 P C -2.410 174.620 177.300 -0.451 0.000 1.226 310 P CA -1.712 61.246 63.100 -0.236 0.000 0.765 310 P CB 0.245 31.706 31.700 -0.397 0.000 0.835 311 P HA 0.101 nan 4.420 nan 0.000 0.238 311 P C -0.198 176.519 177.300 -0.973 0.000 1.714 311 P CA 0.129 62.358 63.100 -1.451 0.000 0.908 311 P CB -0.187 31.021 31.700 -0.820 0.000 1.893 312 L N 3.387 124.221 121.223 -0.647 0.000 2.325 312 L HA 0.271 4.611 4.340 0.000 0.000 0.284 312 L C -1.629 175.233 176.870 -0.014 0.000 1.089 312 L CA -1.964 52.719 54.840 -0.262 0.000 0.836 312 L CB 0.347 42.312 42.059 -0.157 0.000 1.184 312 L HN 0.024 nan 8.230 nan 0.000 0.444 313 P HA -0.000 nan 4.420 nan 0.000 0.277 313 P C -0.557 176.856 177.300 0.188 0.000 1.240 313 P CA -0.471 62.753 63.100 0.206 0.000 0.798 313 P CB 0.650 32.433 31.700 0.137 0.000 0.979 314 F N 3.262 123.277 119.950 0.107 0.000 2.538 314 F HA 0.056 4.584 4.527 0.000 0.000 0.382 314 F C 1.045 176.881 175.800 0.060 0.000 1.069 314 F CA 0.034 58.074 58.000 0.067 0.000 1.138 314 F CB 0.112 39.131 39.000 0.031 0.000 1.068 314 F HN 0.145 nan 8.300 nan 0.000 0.556 315 R N 5.169 125.429 120.500 -0.400 0.000 2.351 315 R HA -0.022 4.318 4.340 0.000 0.000 0.321 315 R C 1.273 177.390 176.300 -0.306 0.000 1.182 315 R CA -0.089 55.857 56.100 -0.256 0.000 1.011 315 R CB 0.365 30.553 30.300 -0.186 0.000 1.048 315 R HN 0.697 nan 8.270 nan 0.000 0.490 316 E N 2.890 123.088 120.200 -0.004 0.000 2.085 316 E HA -0.254 4.096 4.350 0.000 0.000 0.194 316 E C 1.673 178.358 176.600 0.143 0.000 0.994 316 E CA 1.800 58.323 56.400 0.205 0.000 0.801 316 E CB 0.241 30.086 29.700 0.241 0.000 0.743 316 E HN 0.583 nan 8.360 nan 0.000 0.453 317 E N 0.085 120.318 120.200 0.056 0.000 2.204 317 E HA -0.118 4.232 4.350 0.000 0.000 0.194 317 E C 2.012 178.621 176.600 0.015 0.000 0.989 317 E CA 1.246 57.667 56.400 0.034 0.000 0.824 317 E CB -0.379 29.331 29.700 0.017 0.000 0.756 317 E HN 0.285 nan 8.360 nan 0.000 0.477 318 V N 0.502 120.408 119.914 -0.013 0.000 2.649 318 V HA -0.169 3.951 4.120 0.000 0.000 0.248 318 V C 2.218 178.338 176.094 0.042 0.000 1.054 318 V CA 1.375 63.666 62.300 -0.015 0.000 1.073 318 V CB -0.859 30.925 31.823 -0.066 0.000 0.699 318 V HN 0.217 nan 8.190 nan 0.000 0.463 319 Y N 1.553 121.799 120.300 -0.090 0.000 2.200 319 Y HA -0.087 4.463 4.550 0.000 0.000 0.290 319 Y C 2.522 178.462 175.900 0.067 0.000 1.137 319 Y CA 1.530 59.638 58.100 0.013 0.000 1.163 319 Y CB -0.100 38.428 38.460 0.114 0.000 0.988 319 Y HN 0.025 nan 8.280 nan 0.000 0.518 320 R N 0.265 120.718 120.500 -0.079 0.000 2.276 320 R HA 0.057 4.397 4.340 0.000 0.000 0.196 320 R C 1.026 177.261 176.300 -0.108 0.000 0.961 320 R CA 0.565 56.552 56.100 -0.190 0.000 1.024 320 R CB -0.315 29.960 30.300 -0.040 0.000 0.940 320 R HN 0.229 nan 8.270 nan 0.000 0.480 321 S N 0.572 116.242 115.700 -0.051 0.000 2.560 321 S HA 0.024 4.494 4.470 0.000 0.000 0.284 321 S C 0.853 175.446 174.600 -0.012 0.000 1.327 321 S CA -0.264 57.924 58.200 -0.019 0.000 1.055 321 S CB 0.864 64.065 63.200 0.000 0.000 0.868 321 S HN 0.234 nan 8.310 nan 0.000 0.506 322 S N 2.252 117.952 115.700 0.000 0.000 2.554 322 S HA 0.277 4.747 4.470 0.000 0.000 0.226 322 S C 0.889 175.510 174.600 0.035 0.000 0.980 322 S CA -0.125 58.086 58.200 0.019 0.000 0.939 322 S CB -0.149 63.053 63.200 0.004 0.000 0.832 322 S HN 0.990 nan 8.310 nan 0.000 0.486 323 R N 3.356 123.873 120.500 0.028 0.000 2.537 323 R HA 0.435 4.775 4.340 0.000 0.000 0.280 323 R C -2.807 173.515 176.300 0.036 0.000 1.058 323 R CA -1.418 54.690 56.100 0.014 0.000 1.057 323 R CB -1.518 28.787 30.300 0.008 0.000 0.973 323 R HN 0.247 nan 8.270 nan 0.000 0.438 324 P HA 0.196 nan 4.420 nan 0.000 0.271 324 P C -1.023 176.311 177.300 0.057 0.000 1.226 324 P CA -0.153 62.889 63.100 -0.098 0.000 0.765 324 P CB 0.499 32.064 31.700 -0.226 0.000 0.835 325 L N 4.088 125.478 121.223 0.278 0.000 2.289 325 L HA 0.429 4.769 4.340 0.000 0.000 0.285 325 L C 1.187 178.076 176.870 0.032 0.000 1.049 325 L CA -0.770 54.130 54.840 0.100 0.000 0.804 325 L CB 0.541 42.603 42.059 0.004 0.000 1.195 325 L HN 0.156 nan 8.230 nan 0.000 0.428 326 R N 2.723 123.189 120.500 -0.058 0.000 2.404 326 R HA 0.281 4.621 4.340 0.000 0.000 0.315 326 R C -0.908 175.261 176.300 -0.218 0.000 1.032 326 R CA -0.279 55.756 56.100 -0.108 0.000 0.992 326 R CB 0.376 30.602 30.300 -0.124 0.000 0.959 326 R HN 0.360 nan 8.270 nan 0.000 0.428 327 V N 2.823 122.623 119.914 -0.189 0.000 2.409 327 V HA 0.310 4.431 4.120 0.000 0.000 0.291 327 V C 0.820 176.805 176.094 -0.181 0.000 1.020 327 V CA -0.865 61.267 62.300 -0.280 0.000 0.848 327 V CB 1.752 33.444 31.823 -0.218 0.000 0.990 327 V HN 0.938 nan 8.190 nan 0.000 0.430 328 G N 3.869 112.471 108.800 -0.330 0.000 2.483 328 G HA2 0.483 4.443 3.960 0.000 0.000 0.248 328 G HA3 0.483 4.443 3.960 0.000 0.000 0.248 328 G C -0.968 173.974 174.900 0.070 0.000 1.248 328 G CA -0.008 44.976 45.100 -0.193 0.000 0.838 328 G HN 0.991 nan 8.290 nan 0.000 0.566 329 Y N 0.317 120.658 120.300 0.068 0.000 2.571 329 Y HA 0.705 5.255 4.550 0.000 0.000 0.341 329 Y C -1.401 174.646 175.900 0.244 0.000 1.076 329 Y CA -2.032 56.112 58.100 0.075 0.000 1.029 329 Y CB 1.500 39.987 38.460 0.045 0.000 1.308 329 Y HN 0.863 nan 8.280 nan 0.000 0.461 330 Y N -0.162 120.158 120.300 0.034 0.000 2.571 330 Y HA 0.614 5.164 4.550 0.000 0.000 0.341 330 Y C -0.209 175.795 175.900 0.173 0.000 1.076 330 Y CA -1.223 56.853 58.100 -0.040 0.000 1.029 330 Y CB 2.000 40.487 38.460 0.044 0.000 1.308 330 Y HN 0.692 nan 8.280 nan 0.000 0.461 331 E N 0.559 120.983 120.200 0.374 0.000 2.250 331 E HA 0.089 4.439 4.350 0.000 0.000 0.192 331 E C 0.039 176.873 176.600 0.389 0.000 0.986 331 E CA 1.159 57.755 56.400 0.327 0.000 0.849 331 E CB 0.570 30.438 29.700 0.280 0.000 0.797 331 E HN 0.675 nan 8.360 nan 0.000 0.482 332 T N -0.741 114.129 114.554 0.526 0.000 2.840 332 T HA 0.084 4.434 4.350 0.000 0.000 0.317 332 T C -1.090 173.901 174.700 0.485 0.000 1.401 332 T CA -0.599 61.868 62.100 0.612 0.000 1.028 332 T CB 1.262 70.432 68.868 0.502 0.000 1.317 332 T HN 0.006 nan 8.240 nan 0.000 0.495 333 D N 1.340 121.983 120.400 0.406 0.000 2.339 333 D HA 0.100 4.740 4.640 0.000 0.000 0.217 333 D C 0.513 176.774 176.300 -0.065 0.000 1.050 333 D CA 0.095 54.077 54.000 -0.030 0.000 0.856 333 D CB -0.864 39.805 40.800 -0.219 0.000 0.922 333 D HN 0.813 nan 8.370 nan 0.000 0.518 334 N N -1.778 116.882 118.700 -0.065 0.000 2.735 334 N HA -0.315 4.425 4.740 0.000 0.000 0.248 334 N C -0.460 174.945 175.510 -0.174 0.000 1.083 334 N CA 0.962 53.733 53.050 -0.466 0.000 0.703 334 N CB -1.777 36.435 38.487 -0.459 0.000 1.005 334 N HN 0.439 nan 8.380 nan 0.000 0.550 335 Y N -0.855 119.480 120.300 0.058 0.000 3.208 335 Y HA 0.217 4.767 4.550 0.000 0.000 0.205 335 Y C 0.507 176.689 175.900 0.470 0.000 0.923 335 Y CA 0.400 58.679 58.100 0.299 0.000 1.596 335 Y CB 0.582 39.068 38.460 0.044 0.000 1.478 335 Y HN 0.009 nan 8.280 nan 0.000 0.409 336 T N 3.864 118.674 114.554 0.426 0.000 2.869 336 T HA 0.226 4.576 4.350 0.000 0.000 0.295 336 T C -0.182 174.874 174.700 0.593 0.000 0.987 336 T CA -0.277 62.077 62.100 0.423 0.000 1.109 336 T CB 0.711 69.787 68.868 0.347 0.000 0.932 336 T HN 0.185 nan 8.240 nan 0.000 0.518 337 M N 4.259 124.096 119.600 0.396 0.000 2.200 337 M HA 0.217 4.697 4.480 0.000 0.000 0.355 337 M C -2.202 174.415 176.300 0.529 0.000 1.283 337 M CA -2.007 53.436 55.300 0.239 0.000 1.124 337 M CB 0.879 33.215 32.600 -0.440 0.000 1.625 337 M HN 0.281 nan 8.290 nan 0.000 0.463 338 P HA 0.055 nan 4.420 nan 0.000 0.271 338 P C -0.901 176.581 177.300 0.304 0.000 1.218 338 P CA -0.291 63.008 63.100 0.331 0.000 0.780 338 P CB 0.410 32.250 31.700 0.233 0.000 0.901 339 S N 3.394 119.160 115.700 0.110 0.000 2.573 339 S HA 0.113 4.583 4.470 0.000 0.000 0.277 339 S C -1.399 173.235 174.600 0.057 0.000 1.346 339 S CA -0.675 57.524 58.200 -0.002 0.000 1.034 339 S CB -0.320 62.821 63.200 -0.099 0.000 0.879 339 S HN 0.373 nan 8.310 nan 0.000 0.528 340 P HA -0.110 nan 4.420 nan 0.000 0.219 340 P C 1.445 178.755 177.300 0.018 0.000 1.146 340 P CA 1.627 64.756 63.100 0.049 0.000 0.808 340 P CB -0.318 31.407 31.700 0.043 0.000 0.779 341 A N -0.103 122.711 122.820 -0.009 0.000 1.883 341 A HA -0.180 4.140 4.320 0.000 0.000 0.217 341 A C 2.411 179.982 177.584 -0.022 0.000 1.186 341 A CA 2.082 54.103 52.037 -0.027 0.000 0.624 341 A CB -1.445 17.523 19.000 -0.054 0.000 0.822 341 A HN 0.108 nan 8.150 nan 0.000 0.444 342 M N -1.779 117.812 119.600 -0.015 0.000 2.132 342 M HA -0.122 4.358 4.480 0.000 0.000 0.263 342 M C 2.351 178.651 176.300 -0.000 0.000 1.065 342 M CA 1.897 57.184 55.300 -0.022 0.000 1.122 342 M CB -0.169 32.415 32.600 -0.025 0.000 1.365 342 M HN 0.436 nan 8.290 nan 0.000 0.411 343 R N 0.516 121.038 120.500 0.038 0.000 2.083 343 R HA -0.162 4.178 4.340 0.000 0.000 0.237 343 R C 2.132 178.459 176.300 0.046 0.000 1.137 343 R CA 1.959 58.099 56.100 0.066 0.000 0.951 343 R CB -0.414 29.939 30.300 0.090 0.000 0.851 343 R HN 0.269 nan 8.270 nan 0.000 0.434 344 R N -0.330 120.187 120.500 0.027 0.000 2.066 344 R HA -0.063 4.277 4.340 0.000 0.000 0.232 344 R C 2.091 178.389 176.300 -0.002 0.000 1.131 344 R CA 1.582 57.690 56.100 0.013 0.000 0.955 344 R CB -0.520 29.784 30.300 0.007 0.000 0.851 344 R HN 0.309 nan 8.270 nan 0.000 0.432 345 A N 1.960 124.771 122.820 -0.014 0.000 1.917 345 A HA -0.202 4.118 4.320 0.000 0.000 0.219 345 A C 2.189 179.754 177.584 -0.032 0.000 1.182 345 A CA 1.492 53.510 52.037 -0.031 0.000 0.633 345 A CB -0.803 18.170 19.000 -0.044 0.000 0.819 345 A HN 0.446 nan 8.150 nan 0.000 0.448 346 L N -0.345 120.868 121.223 -0.017 0.000 1.961 346 L HA -0.142 4.198 4.340 0.000 0.000 0.210 346 L C 2.438 179.305 176.870 -0.004 0.000 1.072 346 L CA 2.302 57.140 54.840 -0.003 0.000 0.749 346 L CB -0.781 41.299 42.059 0.034 0.000 0.889 346 L HN 0.457 nan 8.230 nan 0.000 0.432 347 I N -0.069 120.507 120.570 0.010 0.000 2.454 347 I HA -0.278 3.892 4.170 0.000 0.000 0.254 347 I C 2.496 178.592 176.117 -0.035 0.000 1.156 347 I CA 0.869 62.162 61.300 -0.012 0.000 1.433 347 I CB -0.162 37.852 38.000 0.024 0.000 1.082 347 I HN 0.362 nan 8.210 nan 0.000 0.432 348 E N 0.306 120.490 120.200 -0.026 0.000 2.047 348 E HA -0.212 4.138 4.350 0.000 0.000 0.191 348 E C 2.320 178.895 176.600 -0.043 0.000 0.987 348 E CA 2.091 58.473 56.400 -0.031 0.000 0.799 348 E CB -0.195 29.490 29.700 -0.025 0.000 0.752 348 E HN 0.594 nan 8.360 nan 0.000 0.449 349 T N 0.127 114.649 114.554 -0.052 0.000 2.867 349 T HA -0.130 4.220 4.350 0.000 0.000 0.268 349 T C 1.864 176.526 174.700 -0.063 0.000 1.057 349 T CA 1.087 63.147 62.100 -0.065 0.000 1.136 349 T CB -0.036 68.778 68.868 -0.091 0.000 0.874 349 T HN -0.045 nan 8.240 nan 0.000 0.466 350 K N 1.075 121.426 120.400 -0.082 0.000 2.063 350 K HA -0.184 4.136 4.320 0.000 0.000 0.208 350 K C 2.395 178.928 176.600 -0.112 0.000 1.048 350 K CA 1.702 57.904 56.287 -0.142 0.000 0.928 350 K CB -0.310 32.022 32.500 -0.281 0.000 0.713 350 K HN 0.477 nan 8.250 nan 0.000 0.442 351 Q N -0.350 119.402 119.800 -0.081 0.000 2.172 351 Q HA -0.013 4.327 4.340 0.000 0.000 0.200 351 Q C 2.220 178.206 176.000 -0.024 0.000 0.964 351 Q CA 1.064 56.836 55.803 -0.052 0.000 0.855 351 Q CB 0.180 28.895 28.738 -0.039 0.000 0.918 351 Q HN 0.181 nan 8.270 nan 0.000 0.444 352 R N -0.128 120.359 120.500 -0.021 0.000 2.093 352 R HA 0.015 4.355 4.340 0.000 0.000 0.224 352 R C 2.185 178.502 176.300 0.028 0.000 1.101 352 R CA 0.699 56.797 56.100 -0.003 0.000 0.979 352 R CB -0.270 30.020 30.300 -0.016 0.000 0.877 352 R HN 0.301 nan 8.270 nan 0.000 0.441 353 L N 0.604 121.842 121.223 0.025 0.000 2.083 353 L HA -0.145 4.195 4.340 0.000 0.000 0.209 353 L C 2.309 179.273 176.870 0.156 0.000 1.083 353 L CA 1.325 56.220 54.840 0.091 0.000 0.752 353 L CB -0.342 41.744 42.059 0.044 0.000 0.899 353 L HN 0.184 nan 8.230 nan 0.000 0.433 354 E N 0.049 120.284 120.200 0.059 0.000 2.058 354 E HA -0.248 4.102 4.350 0.000 0.000 0.194 354 E C 2.296 178.917 176.600 0.035 0.000 0.997 354 E CA 1.319 57.741 56.400 0.036 0.000 0.801 354 E CB -0.140 29.554 29.700 -0.010 0.000 0.746 354 E HN 0.500 nan 8.360 nan 0.000 0.450 355 A N 0.768 123.606 122.820 0.030 0.000 1.969 355 A HA -0.025 4.295 4.320 0.000 0.000 0.218 355 A C 2.223 179.822 177.584 0.025 0.000 1.169 355 A CA 1.473 53.521 52.037 0.019 0.000 0.635 355 A CB -0.349 18.658 19.000 0.012 0.000 0.810 355 A HN 0.299 nan 8.150 nan 0.000 0.445 356 A N -2.128 120.729 122.820 0.062 0.000 2.167 356 A HA 0.411 4.731 4.320 0.000 0.000 0.214 356 A C 1.644 179.212 177.584 -0.026 0.000 1.151 356 A CA 1.454 53.526 52.037 0.059 0.000 0.735 356 A CB -0.463 18.617 19.000 0.133 0.000 0.802 356 A HN 1.698 nan 8.150 nan 0.000 0.467 357 G N -2.072 106.697 108.800 -0.052 0.000 2.273 357 G HA2 -0.078 3.882 3.960 0.000 0.000 0.162 357 G HA3 -0.078 3.882 3.960 0.000 0.000 0.162 357 G C -0.127 174.623 174.900 -0.250 0.000 1.006 357 G CA -0.014 44.982 45.100 -0.173 0.000 0.704 357 G HN 0.625 nan 8.290 nan 0.000 0.487 358 H N 0.642 119.712 119.070 0.001 0.000 2.488 358 H HA 0.668 5.224 4.556 0.000 0.000 0.347 358 H C 0.578 175.897 175.328 -0.015 0.000 1.174 358 H CA 0.618 56.664 56.048 -0.004 0.000 1.307 358 H CB 1.556 31.331 29.762 0.021 0.000 1.517 358 H HN 0.193 nan 8.280 nan 0.000 0.554 359 T N 2.027 116.633 114.554 0.086 0.000 2.771 359 T HA 0.373 4.723 4.350 0.000 0.000 0.281 359 T C -0.852 173.867 174.700 0.030 0.000 0.982 359 T CA -0.948 61.172 62.100 0.034 0.000 0.978 359 T CB 0.223 69.095 68.868 0.008 0.000 0.930 359 T HN 0.248 nan 8.240 nan 0.000 0.447 360 L N 5.601 126.843 121.223 0.030 0.000 2.298 360 L HA 0.554 4.894 4.340 0.000 0.000 0.284 360 L C -0.701 176.278 176.870 0.181 0.000 1.013 360 L CA -0.678 54.192 54.840 0.050 0.000 0.824 360 L CB 1.213 43.207 42.059 -0.108 0.000 1.221 360 L HN 0.762 nan 8.230 nan 0.000 0.418 361 I N 5.658 126.391 120.570 0.271 0.000 2.389 361 I HA 0.352 4.522 4.170 0.000 0.000 0.288 361 I C -2.189 174.083 176.117 0.258 0.000 0.999 361 I CA -1.931 59.511 61.300 0.237 0.000 1.129 361 I CB 1.854 39.908 38.000 0.089 0.000 1.288 361 I HN 0.339 nan 8.210 nan 0.000 0.444 362 P HA 0.058 nan 4.420 nan 0.000 0.262 362 P C -1.073 176.228 177.300 0.002 0.000 1.199 362 P CA 0.385 63.365 63.100 -0.200 0.000 0.763 362 P CB 0.054 31.703 31.700 -0.084 0.000 0.790 363 F N 5.201 125.049 119.950 -0.169 0.000 2.607 363 F HA 0.532 5.059 4.527 0.000 0.000 0.322 363 F C -1.908 173.926 175.800 0.056 0.000 1.176 363 F CA -0.977 57.003 58.000 -0.032 0.000 0.977 363 F CB 1.272 40.261 39.000 -0.018 0.000 1.242 363 F HN 0.036 nan 8.300 nan 0.000 0.465 364 L N 8.493 129.434 121.223 -0.471 0.000 2.376 364 L HA 0.682 5.022 4.340 0.000 0.000 0.275 364 L C -2.463 174.050 176.870 -0.594 0.000 0.987 364 L CA -2.171 52.416 54.840 -0.421 0.000 0.828 364 L CB 1.663 43.513 42.059 -0.348 0.000 1.249 364 L HN 0.356 nan 8.230 nan 0.000 0.409 365 P HA 0.054 nan 4.420 nan 0.000 0.260 365 P C -1.089 176.144 177.300 -0.111 0.000 1.172 365 P CA 0.130 63.165 63.100 -0.108 0.000 0.760 365 P CB -0.034 31.724 31.700 0.096 0.000 0.773 366 N N 2.161 120.822 118.700 -0.065 0.000 2.395 366 N HA -0.068 4.672 4.740 0.000 0.000 0.246 366 N C -0.155 175.432 175.510 0.128 0.000 1.246 366 N CA -0.345 52.708 53.050 0.005 0.000 0.879 366 N CB -0.457 38.044 38.487 0.024 0.000 1.098 366 N HN 0.241 nan 8.380 nan 0.000 0.444 367 N N -0.571 118.153 118.700 0.040 0.000 2.735 367 N HA -0.204 4.536 4.740 0.000 0.000 0.248 367 N C 0.127 175.626 175.510 -0.019 0.000 1.083 367 N CA 0.770 53.839 53.050 0.032 0.000 0.703 367 N CB -1.214 37.304 38.487 0.051 0.000 1.005 367 N HN 0.601 nan 8.380 nan 0.000 0.550 368 I N 0.115 120.648 120.570 -0.062 0.000 2.113 368 I HA -0.247 3.923 4.170 0.000 0.000 0.242 368 I C -0.509 175.460 176.117 -0.247 0.000 1.064 368 I CA 1.672 62.874 61.300 -0.165 0.000 1.320 368 I CB -0.795 37.089 38.000 -0.194 0.000 1.028 368 I HN 0.212 nan 8.210 nan 0.000 0.406 369 P HA -0.237 nan 4.420 nan 0.000 0.216 369 P C 1.542 178.775 177.300 -0.111 0.000 1.150 369 P CA 1.548 64.578 63.100 -0.117 0.000 0.843 369 P CB -0.159 31.624 31.700 0.139 0.000 0.787 370 Y N 0.483 120.666 120.300 -0.195 0.000 2.242 370 Y HA -0.096 4.454 4.550 0.000 0.000 0.291 370 Y C 2.291 177.995 175.900 -0.327 0.000 1.137 370 Y CA 1.383 59.354 58.100 -0.215 0.000 1.181 370 Y CB -0.976 37.361 38.460 -0.204 0.000 0.989 370 Y HN -0.129 nan 8.280 nan 0.000 0.527 371 A N 0.683 123.199 122.820 -0.508 0.000 1.858 371 A HA -0.150 4.170 4.320 0.000 0.000 0.216 371 A C 2.262 179.546 177.584 -0.500 0.000 1.190 371 A CA 2.002 53.631 52.037 -0.681 0.000 0.617 371 A CB -1.204 17.404 19.000 -0.655 0.000 0.827 371 A HN 0.527 nan 8.150 nan 0.000 0.443 372 L N -0.918 120.039 121.223 -0.443 0.000 2.017 372 L HA -0.210 4.130 4.340 0.000 0.000 0.208 372 L C 2.608 179.308 176.870 -0.284 0.000 1.073 372 L CA 1.927 56.526 54.840 -0.403 0.000 0.745 372 L CB -0.778 40.926 42.059 -0.592 0.000 0.894 372 L HN 0.449 nan 8.230 nan 0.000 0.432 373 E N -0.269 119.785 120.200 -0.243 0.000 2.021 373 E HA -0.162 4.188 4.350 0.000 0.000 0.189 373 E C 2.222 178.746 176.600 -0.126 0.000 0.980 373 E CA 1.336 57.681 56.400 -0.091 0.000 0.803 373 E CB -0.077 29.626 29.700 0.006 0.000 0.766 373 E HN 0.343 nan 8.360 nan 0.000 0.449 374 V N 0.442 120.204 119.914 -0.254 0.000 2.426 374 V HA -0.058 4.062 4.120 0.000 0.000 0.242 374 V C 1.898 177.791 176.094 -0.336 0.000 1.036 374 V CA 0.920 63.056 62.300 -0.274 0.000 1.044 374 V CB -0.220 31.455 31.823 -0.246 0.000 0.688 374 V HN 0.172 nan 8.190 nan 0.000 0.462 375 L N 0.187 121.099 121.223 -0.518 0.000 2.007 375 L HA -0.031 4.309 4.340 0.000 0.000 0.205 375 L C 2.847 179.553 176.870 -0.274 0.000 1.073 375 L CA 1.918 56.510 54.840 -0.414 0.000 0.744 375 L CB -0.984 40.754 42.059 -0.534 0.000 0.898 375 L HN 0.308 nan 8.230 nan 0.000 0.435 376 S N -0.253 115.276 115.700 -0.286 0.000 2.338 376 S HA -0.109 4.361 4.470 0.000 0.000 0.218 376 S C 2.099 176.576 174.600 -0.204 0.000 1.032 376 S CA 1.321 59.383 58.200 -0.229 0.000 0.999 376 S CB -0.237 62.817 63.200 -0.243 0.000 0.905 376 S HN 0.442 nan 8.310 nan 0.000 0.439 377 A N 0.903 123.617 122.820 -0.176 0.000 1.969 377 A HA 0.145 4.465 4.320 0.000 0.000 0.218 377 A C 2.212 179.724 177.584 -0.120 0.000 1.169 377 A CA 1.676 53.626 52.037 -0.144 0.000 0.635 377 A CB -1.230 17.775 19.000 0.009 0.000 0.810 377 A HN 0.539 nan 8.150 nan 0.000 0.445 378 G N -0.343 108.405 108.800 -0.088 0.000 2.404 378 G HA2 0.069 4.029 3.960 0.000 0.000 0.215 378 G HA3 0.069 4.029 3.960 0.000 0.000 0.215 378 G C 1.591 176.460 174.900 -0.052 0.000 1.174 378 G CA 1.171 46.244 45.100 -0.045 0.000 0.780 378 G HN 0.687 nan 8.290 nan 0.000 0.537 379 G N 1.086 109.831 108.800 -0.091 0.000 2.574 379 G HA2 -0.283 3.677 3.960 0.000 0.000 0.220 379 G HA3 -0.283 3.677 3.960 0.000 0.000 0.220 379 G C 1.800 176.644 174.900 -0.095 0.000 1.173 379 G CA 1.073 46.125 45.100 -0.080 0.000 0.772 379 G HN 0.424 nan 8.290 nan 0.000 0.585 380 L N -1.385 119.719 121.223 -0.198 0.000 2.131 380 L HA 0.172 4.512 4.340 0.000 0.000 0.206 380 L C 1.505 178.219 176.870 -0.261 0.000 1.087 380 L CA 0.427 55.072 54.840 -0.326 0.000 0.767 380 L CB -0.052 41.662 42.059 -0.576 0.000 0.917 380 L HN 0.106 nan 8.230 nan 0.000 0.441 381 F N -0.744 119.154 119.950 -0.088 0.000 2.772 381 F HA 0.171 4.698 4.527 0.000 0.000 0.302 381 F C 1.977 177.738 175.800 -0.065 0.000 1.136 381 F CA -0.641 57.301 58.000 -0.097 0.000 1.322 381 F CB -0.628 38.288 39.000 -0.141 0.000 0.967 381 F HN -0.082 nan 8.300 nan 0.000 0.513 382 S N -0.301 115.473 115.700 0.122 0.000 2.419 382 S HA -0.205 4.265 4.470 0.000 0.000 0.233 382 S C 1.797 176.433 174.600 0.059 0.000 1.016 382 S CA 1.525 59.767 58.200 0.070 0.000 0.974 382 S CB -0.265 62.965 63.200 0.050 0.000 0.786 382 S HN 0.590 nan 8.310 nan 0.000 0.492 383 D N 0.687 121.133 120.400 0.076 0.000 2.355 383 D HA 0.111 4.751 4.640 0.000 0.000 0.218 383 D C 1.398 177.715 176.300 0.027 0.000 1.004 383 D CA 0.875 54.907 54.000 0.054 0.000 0.880 383 D CB -0.420 40.424 40.800 0.073 0.000 0.911 383 D HN 0.486 nan 8.370 nan 0.000 0.528 384 G N -0.170 108.638 108.800 0.014 0.000 2.175 384 G HA2 -0.184 3.776 3.960 0.000 0.000 0.244 384 G HA3 -0.184 3.776 3.960 0.000 0.000 0.244 384 G C 1.115 175.931 174.900 -0.139 0.000 0.982 384 G CA 0.407 45.470 45.100 -0.063 0.000 0.641 384 G HN 1.344 nan 8.290 nan 0.000 0.527 385 G N -1.868 106.889 108.800 -0.071 0.000 2.284 385 G HA2 0.231 4.191 3.960 0.000 0.000 0.201 385 G HA3 0.231 4.191 3.960 0.000 0.000 0.201 385 G C 1.277 176.221 174.900 0.074 0.000 0.998 385 G CA 1.397 46.450 45.100 -0.078 0.000 0.651 385 G HN 1.812 nan 8.290 nan 0.000 0.489 386 R N 1.295 121.824 120.500 0.048 0.000 2.091 386 R HA 0.144 4.484 4.340 0.000 0.000 0.238 386 R C 2.790 179.144 176.300 0.090 0.000 1.136 386 R CA 2.860 58.993 56.100 0.054 0.000 0.959 386 R CB -1.525 28.793 30.300 0.030 0.000 0.856 386 R HN 0.977 nan 8.270 nan 0.000 0.437 387 S N 0.274 116.043 115.700 0.115 0.000 2.348 387 S HA -0.129 4.341 4.470 0.000 0.000 0.221 387 S C 1.892 176.588 174.600 0.160 0.000 1.033 387 S CA 1.231 59.502 58.200 0.119 0.000 1.010 387 S CB -0.600 62.672 63.200 0.120 0.000 0.891 387 S HN 0.584 nan 8.310 nan 0.000 0.442 388 F N 2.226 122.221 119.950 0.076 0.000 2.126 388 F HA -0.039 4.488 4.527 0.000 0.000 0.299 388 F C 1.875 177.798 175.800 0.205 0.000 1.096 388 F CA 1.210 59.290 58.000 0.132 0.000 1.255 388 F CB -0.345 38.760 39.000 0.175 0.000 0.997 388 F HN 0.081 nan 8.300 nan 0.000 0.479 389 L N -0.390 120.954 121.223 0.202 0.000 2.291 389 L HA -0.143 4.197 4.340 0.000 0.000 0.214 389 L C 2.191 179.123 176.870 0.105 0.000 1.120 389 L CA 0.680 55.599 54.840 0.133 0.000 0.799 389 L CB -0.535 41.565 42.059 0.068 0.000 0.925 389 L HN 0.157 nan 8.230 nan 0.000 0.446 390 Q N 0.339 120.171 119.800 0.053 0.000 2.364 390 Q HA -0.176 4.164 4.340 0.000 0.000 0.209 390 Q C 1.483 177.458 176.000 -0.041 0.000 0.977 390 Q CA 1.285 57.095 55.803 0.011 0.000 0.885 390 Q CB -0.077 28.667 28.738 0.011 0.000 0.941 390 Q HN 0.496 nan 8.270 nan 0.000 0.464 391 N N -1.743 116.896 118.700 -0.102 0.000 2.463 391 N HA 0.026 4.766 4.740 0.000 0.000 0.181 391 N C -0.053 175.222 175.510 -0.392 0.000 1.078 391 N CA 0.419 53.298 53.050 -0.284 0.000 0.902 391 N CB 0.249 38.455 38.487 -0.469 0.000 0.970 391 N HN 0.168 nan 8.380 nan 0.000 0.451 392 F N 0.591 120.433 119.950 -0.181 0.000 2.678 392 F HA 0.277 4.804 4.527 -0.000 0.000 0.305 392 F C 0.544 176.272 175.800 -0.119 0.000 1.090 392 F CA -0.426 57.482 58.000 -0.153 0.000 1.272 392 F CB 0.330 39.233 39.000 -0.162 0.000 1.060 392 F HN -0.270 nan 8.300 nan 0.000 0.576 393 K N 0.631 121.042 120.400 0.018 0.000 2.395 393 K HA 0.278 4.598 4.320 0.000 0.000 0.283 393 K C 1.159 177.725 176.600 -0.058 0.000 1.068 393 K CA 0.899 57.175 56.287 -0.019 0.000 1.039 393 K CB -0.113 32.371 32.500 -0.027 0.000 0.924 393 K HN 0.368 nan 8.250 nan 0.000 0.468 394 G N 2.813 111.569 108.800 -0.074 0.000 2.160 394 G HA2 -0.246 3.714 3.960 0.000 0.000 0.251 394 G HA3 -0.246 3.714 3.960 0.000 0.000 0.251 394 G C -0.298 174.491 174.900 -0.184 0.000 1.008 394 G CA 0.244 45.269 45.100 -0.126 0.000 0.724 394 G HN 0.654 nan 8.290 nan 0.000 0.514 395 D N -0.857 119.459 120.400 -0.140 0.000 2.269 395 D HA 0.606 5.246 4.640 0.000 0.000 0.244 395 D C 0.471 176.700 176.300 -0.118 0.000 0.992 395 D CA -0.758 53.160 54.000 -0.138 0.000 0.894 395 D CB 0.696 41.449 40.800 -0.080 0.000 1.248 395 D HN -0.024 nan 8.370 nan 0.000 0.468 396 F N 0.717 120.683 119.950 0.026 0.000 2.529 396 F HA 0.073 4.600 4.527 -0.000 0.000 0.365 396 F C 0.976 176.840 175.800 0.107 0.000 1.102 396 F CA -0.423 57.603 58.000 0.043 0.000 1.271 396 F CB 0.683 39.691 39.000 0.013 0.000 1.120 396 F HN -0.027 nan 8.300 nan 0.000 0.579 397 V N 1.106 121.200 119.914 0.299 0.000 2.461 397 V HA 0.221 4.341 4.120 0.000 0.000 0.275 397 V C 0.038 176.250 176.094 0.196 0.000 1.047 397 V CA -1.004 61.445 62.300 0.248 0.000 0.955 397 V CB 1.162 33.046 31.823 0.102 0.000 0.988 397 V HN 0.707 nan 8.190 nan 0.000 0.471 398 D N 7.101 127.611 120.400 0.184 0.000 2.425 398 D HA 0.168 4.808 4.640 0.000 0.000 0.247 398 D C -1.222 175.122 176.300 0.073 0.000 1.147 398 D CA -1.261 52.802 54.000 0.106 0.000 0.879 398 D CB 2.131 42.990 40.800 0.098 0.000 1.179 398 D HN 0.507 nan 8.370 nan 0.000 0.456 399 P HA -0.153 nan 4.420 nan 0.000 0.220 399 P C 1.634 178.940 177.300 0.010 0.000 1.144 399 P CA 0.777 63.889 63.100 0.021 0.000 0.800 399 P CB -0.292 31.410 31.700 0.004 0.000 0.772 400 C N -2.818 116.489 119.300 0.011 0.000 2.472 400 C HA 0.118 4.578 4.460 0.000 0.000 0.278 400 C C 2.244 177.231 174.990 -0.005 0.000 1.447 400 C CA -0.132 58.879 59.018 -0.012 0.000 1.773 400 C CB -2.194 25.536 27.740 -0.016 0.000 1.793 400 C HN 0.012 nan 8.230 nan 0.000 0.544 401 L N 1.546 122.792 121.223 0.038 0.000 2.509 401 L HA 0.356 4.696 4.340 0.000 0.000 0.222 401 L C 2.005 178.902 176.870 0.045 0.000 1.123 401 L CA 1.554 56.432 54.840 0.063 0.000 0.856 401 L CB -1.256 40.867 42.059 0.107 0.000 0.985 401 L HN 0.744 nan 8.230 nan 0.000 0.456 402 G N 0.062 108.878 108.800 0.027 0.000 2.531 402 G HA2 -0.313 3.647 3.960 0.000 0.000 0.274 402 G HA3 -0.313 3.647 3.960 0.000 0.000 0.274 402 G C 0.239 175.157 174.900 0.029 0.000 1.159 402 G CA 0.266 45.383 45.100 0.029 0.000 0.969 402 G HN 0.263 nan 8.290 nan 0.000 0.554 403 D N 0.842 121.270 120.400 0.047 0.000 2.501 403 D HA 0.249 4.889 4.640 0.000 0.000 0.226 403 D C 2.047 178.372 176.300 0.042 0.000 1.198 403 D CA -0.516 53.502 54.000 0.030 0.000 0.830 403 D CB 0.654 41.471 40.800 0.029 0.000 1.014 403 D HN 0.179 nan 8.370 nan 0.000 0.496 404 L N 1.158 122.422 121.223 0.069 0.000 2.042 404 L HA -0.154 4.186 4.340 0.000 0.000 0.210 404 L C 1.853 178.696 176.870 -0.045 0.000 1.076 404 L CA 1.426 56.312 54.840 0.076 0.000 0.749 404 L CB -0.450 41.692 42.059 0.139 0.000 0.893 404 L HN 0.025 nan 8.230 nan 0.000 0.432 405 I N -1.023 119.481 120.570 -0.110 0.000 2.202 405 I HA -0.263 3.907 4.170 0.000 0.000 0.242 405 I C 2.607 178.628 176.117 -0.160 0.000 1.091 405 I CA 0.957 62.124 61.300 -0.221 0.000 1.368 405 I CB -1.500 36.277 38.000 -0.371 0.000 1.058 405 I HN 0.245 nan 8.210 nan 0.000 0.410 406 L N 1.000 122.157 121.223 -0.110 0.000 2.043 406 L HA -0.194 4.146 4.340 0.000 0.000 0.212 406 L C 2.382 179.183 176.870 -0.115 0.000 1.075 406 L CA 1.906 56.686 54.840 -0.100 0.000 0.752 406 L CB -0.415 41.603 42.059 -0.068 0.000 0.891 406 L HN 0.077 nan 8.230 nan 0.000 0.432 407 I N -1.398 119.115 120.570 -0.095 0.000 2.277 407 I HA -0.254 3.916 4.170 0.000 0.000 0.243 407 I C 2.275 178.283 176.117 -0.182 0.000 1.094 407 I CA 0.971 62.206 61.300 -0.109 0.000 1.393 407 I CB -0.199 37.772 38.000 -0.048 0.000 1.078 407 I HN 0.204 nan 8.210 nan 0.000 0.417 408 L N 0.116 121.206 121.223 -0.222 0.000 2.083 408 L HA -0.182 4.158 4.340 0.000 0.000 0.209 408 L C 2.509 179.256 176.870 -0.205 0.000 1.083 408 L CA 1.303 55.974 54.840 -0.281 0.000 0.752 408 L CB -0.491 41.381 42.059 -0.311 0.000 0.899 408 L HN 0.167 nan 8.230 nan 0.000 0.433 409 R N -0.141 120.257 120.500 -0.170 0.000 2.316 409 R HA 0.046 4.386 4.340 0.000 0.000 0.202 409 R C 0.527 176.731 176.300 -0.161 0.000 1.029 409 R CA 0.101 56.114 56.100 -0.144 0.000 1.018 409 R CB -0.196 30.025 30.300 -0.132 0.000 0.888 409 R HN 0.307 nan 8.270 nan 0.000 0.471 410 L N 2.964 124.072 121.223 -0.191 0.000 2.483 410 L HA 0.091 4.431 4.340 0.000 0.000 0.276 410 L C -1.765 174.963 176.870 -0.236 0.000 1.213 410 L CA -1.711 52.983 54.840 -0.244 0.000 0.843 410 L CB -0.017 41.902 42.059 -0.233 0.000 1.107 410 L HN -0.134 nan 8.230 nan 0.000 0.487 411 P HA 0.017 nan 4.420 nan 0.000 0.266 411 P C 0.239 177.347 177.300 -0.321 0.000 1.195 411 P CA -0.035 62.873 63.100 -0.320 0.000 0.768 411 P CB 0.670 32.038 31.700 -0.552 0.000 0.838 412 S N 2.322 117.947 115.700 -0.124 0.000 2.383 412 S HA -0.138 4.332 4.470 0.000 0.000 0.229 412 S C 1.739 176.344 174.600 0.008 0.000 1.030 412 S CA 1.084 59.256 58.200 -0.046 0.000 1.002 412 S CB -0.791 62.424 63.200 0.024 0.000 0.829 412 S HN 0.736 nan 8.310 nan 0.000 0.467 413 W N 0.761 122.086 121.300 0.042 0.000 2.363 413 W HA -0.089 4.571 4.660 -0.000 0.000 0.296 413 W C 1.764 178.320 176.519 0.062 0.000 1.212 413 W CA 0.361 57.730 57.345 0.041 0.000 1.260 413 W CB -1.081 28.404 29.460 0.042 0.000 1.131 413 W HN 0.261 nan 8.180 nan 0.000 0.530 414 F N 2.558 122.058 119.950 -0.749 0.000 2.113 414 F HA -0.086 4.441 4.527 0.000 0.000 0.297 414 F C 2.587 178.225 175.800 -0.270 0.000 1.103 414 F CA 2.472 60.092 58.000 -0.633 0.000 1.248 414 F CB -0.360 38.085 39.000 -0.925 0.000 0.999 414 F HN -0.291 nan 8.300 nan 0.000 0.475 415 K N 0.114 120.467 120.400 -0.078 0.000 2.034 415 K HA -0.270 4.050 4.320 0.000 0.000 0.214 415 K C 2.423 178.972 176.600 -0.084 0.000 1.051 415 K CA 2.542 58.781 56.287 -0.081 0.000 0.931 415 K CB -0.632 31.812 32.500 -0.093 0.000 0.715 415 K HN 0.256 nan 8.250 nan 0.000 0.446 416 R N 0.996 121.471 120.500 -0.042 0.000 2.120 416 R HA -0.041 4.299 4.340 0.000 0.000 0.234 416 R C 2.131 178.415 176.300 -0.026 0.000 1.123 416 R CA 1.674 57.769 56.100 -0.008 0.000 0.975 416 R CB -1.367 28.961 30.300 0.046 0.000 0.866 416 R HN 0.210 nan 8.270 nan 0.000 0.446 417 L N 0.307 121.495 121.223 -0.058 0.000 2.017 417 L HA 0.032 4.372 4.340 0.000 0.000 0.208 417 L C 2.399 179.156 176.870 -0.188 0.000 1.073 417 L CA 1.691 56.456 54.840 -0.124 0.000 0.745 417 L CB -0.329 41.619 42.059 -0.185 0.000 0.894 417 L HN 0.388 nan 8.230 nan 0.000 0.432 418 L N -1.468 119.596 121.223 -0.265 0.000 2.141 418 L HA -0.164 4.176 4.340 0.000 0.000 0.209 418 L C 2.619 179.436 176.870 -0.088 0.000 1.094 418 L CA 1.208 55.926 54.840 -0.202 0.000 0.763 418 L CB -0.543 41.406 42.059 -0.184 0.000 0.908 418 L HN 0.303 nan 8.230 nan 0.000 0.437 419 S N 0.079 115.738 115.700 -0.067 0.000 2.382 419 S HA -0.084 4.386 4.470 0.000 0.000 0.228 419 S C 1.633 176.225 174.600 -0.013 0.000 1.027 419 S CA 1.099 59.283 58.200 -0.026 0.000 0.991 419 S CB 0.063 63.251 63.200 -0.020 0.000 0.823 419 S HN 0.377 nan 8.310 nan 0.000 0.469 420 L N -0.801 120.408 121.223 -0.023 0.000 2.638 420 L HA 0.374 4.714 4.340 0.000 0.000 0.232 420 L C 1.912 178.770 176.870 -0.020 0.000 1.099 420 L CA 0.463 55.295 54.840 -0.014 0.000 0.883 420 L CB -1.578 40.475 42.059 -0.010 0.000 1.136 420 L HN 0.217 nan 8.230 nan 0.000 0.492 421 L N 0.586 121.789 121.223 -0.034 0.000 2.042 421 L HA -0.168 4.172 4.340 0.000 0.000 0.210 421 L C 2.378 179.246 176.870 -0.003 0.000 1.076 421 L CA 1.587 56.409 54.840 -0.030 0.000 0.749 421 L CB -0.153 41.870 42.059 -0.060 0.000 0.893 421 L HN 0.202 nan 8.230 nan 0.000 0.432 422 L N -0.593 120.638 121.223 0.013 0.000 2.375 422 L HA -0.023 4.317 4.340 0.000 0.000 0.215 422 L C 2.784 179.677 176.870 0.038 0.000 1.108 422 L CA 1.646 56.526 54.840 0.067 0.000 0.830 422 L CB -1.228 40.887 42.059 0.094 0.000 0.959 422 L HN 0.162 nan 8.230 nan 0.000 0.457 423 K N 0.915 121.323 120.400 0.014 0.000 2.074 423 K HA -0.148 4.172 4.320 0.000 0.000 0.209 423 K C -0.019 176.571 176.600 -0.016 0.000 1.048 423 K CA 2.006 58.298 56.287 0.008 0.000 0.926 423 K CB -2.522 29.985 32.500 0.011 0.000 0.713 423 K HN 0.457 nan 8.250 nan 0.000 0.444 424 P HA -0.035 nan 4.420 nan 0.000 0.222 424 P C 1.019 178.233 177.300 -0.143 0.000 1.153 424 P CA 0.558 63.616 63.100 -0.070 0.000 0.798 424 P CB 0.201 31.863 31.700 -0.063 0.000 0.796 425 L N -1.524 119.572 121.223 -0.212 0.000 2.265 425 L HA 0.245 4.585 4.340 0.000 0.000 0.195 425 L C 1.008 177.445 176.870 -0.722 0.000 1.083 425 L CA 1.228 55.751 54.840 -0.528 0.000 0.798 425 L CB -1.114 40.579 42.059 -0.611 0.000 0.989 425 L HN -0.183 nan 8.230 nan 0.000 0.472 426 F N 0.849 120.780 119.950 -0.032 0.000 2.531 426 F HA 0.342 4.869 4.527 0.000 0.000 0.333 426 F C -1.558 174.196 175.800 -0.077 0.000 1.292 426 F CA -1.333 56.629 58.000 -0.062 0.000 1.184 426 F CB 0.523 39.452 39.000 -0.119 0.000 1.426 426 F HN 0.020 nan 8.300 nan 0.000 0.559 427 P HA -0.062 nan 4.420 nan 0.000 0.225 427 P C 1.497 178.813 177.300 0.026 0.000 1.156 427 P CA 0.949 64.086 63.100 0.062 0.000 0.787 427 P CB 0.308 32.063 31.700 0.092 0.000 0.802 428 R N -0.614 119.832 120.500 -0.091 0.000 2.081 428 R HA -0.056 4.284 4.340 0.000 0.000 0.235 428 R C 2.123 178.344 176.300 -0.132 0.000 1.131 428 R CA 1.096 57.086 56.100 -0.183 0.000 0.960 428 R CB -0.879 29.096 30.300 -0.543 0.000 0.856 428 R HN 0.171 nan 8.270 nan 0.000 0.436 429 L N 0.228 121.278 121.223 -0.287 0.000 2.141 429 L HA -0.049 4.291 4.340 0.000 0.000 0.209 429 L C 2.405 179.301 176.870 0.044 0.000 1.094 429 L CA 1.567 56.264 54.840 -0.239 0.000 0.763 429 L CB -0.916 40.938 42.059 -0.342 0.000 0.908 429 L HN 0.139 nan 8.230 nan 0.000 0.437 430 A N -0.541 122.300 122.820 0.035 0.000 1.877 430 A HA -0.145 4.175 4.320 0.000 0.000 0.216 430 A C 2.488 180.119 177.584 0.079 0.000 1.186 430 A CA 1.764 53.833 52.037 0.053 0.000 0.620 430 A CB -0.889 18.137 19.000 0.044 0.000 0.822 430 A HN 0.366 nan 8.150 nan 0.000 0.443 431 A N -1.506 121.379 122.820 0.108 0.000 1.972 431 A HA -0.046 4.274 4.320 0.000 0.000 0.219 431 A C 2.075 179.788 177.584 0.215 0.000 1.169 431 A CA 1.416 53.535 52.037 0.137 0.000 0.635 431 A CB -0.688 18.400 19.000 0.147 0.000 0.810 431 A HN 0.663 nan 8.150 nan 0.000 0.446 432 F N -0.038 119.974 119.950 0.103 0.000 2.102 432 F HA -0.130 4.397 4.527 0.000 0.000 0.298 432 F C 1.935 177.806 175.800 0.118 0.000 1.105 432 F CA 1.585 59.693 58.000 0.179 0.000 1.239 432 F CB -0.050 39.123 39.000 0.289 0.000 0.991 432 F HN 0.158 nan 8.300 nan 0.000 0.474 433 L N 0.233 121.473 121.223 0.028 0.000 2.072 433 L HA -0.229 4.111 4.340 0.000 0.000 0.205 433 L C 2.271 179.087 176.870 -0.091 0.000 1.079 433 L CA 1.464 56.234 54.840 -0.117 0.000 0.752 433 L CB -0.882 41.152 42.059 -0.043 0.000 0.906 433 L HN 0.241 nan 8.230 nan 0.000 0.436 434 N N -0.430 118.259 118.700 -0.017 0.000 2.192 434 N HA -0.238 4.502 4.740 0.000 0.000 0.188 434 N C 1.806 177.310 175.510 -0.010 0.000 1.013 434 N CA 1.537 54.584 53.050 -0.005 0.000 0.863 434 N CB 0.117 38.619 38.487 0.025 0.000 0.990 434 N HN 0.366 nan 8.380 nan 0.000 0.430 435 S N -0.372 115.326 115.700 -0.002 0.000 2.562 435 S HA 0.041 4.511 4.470 0.000 0.000 0.221 435 S C 1.377 175.994 174.600 0.029 0.000 0.975 435 S CA 0.115 58.331 58.200 0.025 0.000 0.918 435 S CB -0.076 63.166 63.200 0.071 0.000 0.772 435 S HN 0.302 nan 8.310 nan 0.000 0.531 436 M N 2.193 121.745 119.600 -0.080 0.000 2.493 436 M HA 0.293 4.773 4.480 0.000 0.000 0.244 436 M C 0.607 176.832 176.300 -0.125 0.000 1.182 436 M CA -0.264 54.933 55.300 -0.172 0.000 0.981 436 M CB 0.112 32.468 32.600 -0.408 0.000 1.551 436 M HN 0.186 nan 8.290 nan 0.000 0.476 437 R N 2.174 122.638 120.500 -0.061 0.000 2.308 437 R HA 0.402 4.742 4.340 0.000 0.000 0.305 437 R C -3.057 173.232 176.300 -0.019 0.000 1.053 437 R CA -1.434 54.642 56.100 -0.040 0.000 0.957 437 R CB 0.065 30.352 30.300 -0.021 0.000 1.022 437 R HN -0.074 nan 8.270 nan 0.000 0.461 438 P HA 0.177 nan 4.420 nan 0.000 0.267 438 P C -0.630 176.670 177.300 -0.001 0.000 1.209 438 P CA 0.094 63.191 63.100 -0.005 0.000 0.763 438 P CB 0.448 32.145 31.700 -0.005 0.000 0.816 439 R N 1.447 121.948 120.500 0.002 0.000 2.643 439 R HA 0.510 4.850 4.340 0.000 0.000 0.272 439 R C 0.590 176.877 176.300 -0.021 0.000 0.995 439 R CA -0.693 55.404 56.100 -0.005 0.000 1.032 439 R CB 1.154 31.456 30.300 0.002 0.000 1.126 439 R HN 0.509 nan 8.270 nan 0.000 0.505 440 S N 0.436 116.112 115.700 -0.040 0.000 2.600 440 S HA 0.150 4.620 4.470 0.000 0.000 0.265 440 S C 1.229 175.758 174.600 -0.118 0.000 1.325 440 S CA -0.209 57.944 58.200 -0.077 0.000 1.002 440 S CB 1.476 64.621 63.200 -0.090 0.000 0.921 440 S HN 0.726 nan 8.310 nan 0.000 0.554 441 A N 0.533 123.240 122.820 -0.188 0.000 1.940 441 A HA -0.133 4.187 4.320 0.000 0.000 0.219 441 A C 2.114 179.362 177.584 -0.559 0.000 1.176 441 A CA 1.738 53.571 52.037 -0.340 0.000 0.631 441 A CB -1.239 17.522 19.000 -0.398 0.000 0.814 441 A HN 1.017 nan 8.150 nan 0.000 0.446 442 E N -0.503 119.418 120.200 -0.465 0.000 2.114 442 E HA -0.282 4.068 4.350 0.000 0.000 0.199 442 E C 1.707 178.237 176.600 -0.117 0.000 1.008 442 E CA 1.755 57.953 56.400 -0.336 0.000 0.810 442 E CB -0.046 29.538 29.700 -0.195 0.000 0.739 442 E HN 0.454 nan 8.360 nan 0.000 0.456 443 K N 0.022 120.374 120.400 -0.079 0.000 2.361 443 K HA 0.119 4.439 4.320 0.000 0.000 0.196 443 K C 1.805 178.433 176.600 0.047 0.000 1.039 443 K CA 0.025 56.314 56.287 0.003 0.000 1.001 443 K CB 0.071 32.569 32.500 -0.003 0.000 0.795 443 K HN 0.134 nan 8.250 nan 0.000 0.495 444 L N -0.766 120.479 121.223 0.036 0.000 2.044 444 L HA -0.154 4.186 4.340 0.000 0.000 0.205 444 L C 1.444 178.467 176.870 0.256 0.000 1.075 444 L CA 1.138 56.050 54.840 0.119 0.000 0.747 444 L CB -0.214 41.914 42.059 0.115 0.000 0.903 444 L HN 0.347 nan 8.230 nan 0.000 0.435 445 W N 0.727 122.052 121.300 0.042 0.000 2.321 445 W HA -0.260 4.400 4.660 0.000 0.000 0.306 445 W C 2.878 179.443 176.519 0.076 0.000 1.217 445 W CA 2.061 59.435 57.345 0.049 0.000 1.257 445 W CB -1.253 28.226 29.460 0.032 0.000 1.145 445 W HN 0.142 nan 8.180 nan 0.000 0.509 446 K N 0.200 120.782 120.400 0.303 0.000 2.097 446 K HA -0.090 4.230 4.320 0.000 0.000 0.206 446 K C 1.928 178.647 176.600 0.198 0.000 1.049 446 K CA 1.648 58.072 56.287 0.229 0.000 0.933 446 K CB -1.122 31.476 32.500 0.164 0.000 0.717 446 K HN 0.268 nan 8.250 nan 0.000 0.442 447 L N 0.530 121.844 121.223 0.153 0.000 2.072 447 L HA -0.067 4.273 4.340 0.000 0.000 0.205 447 L C 2.691 179.617 176.870 0.093 0.000 1.079 447 L CA 1.803 56.698 54.840 0.092 0.000 0.752 447 L CB -0.138 41.952 42.059 0.052 0.000 0.906 447 L HN 0.510 nan 8.230 nan 0.000 0.436 448 Q N -1.569 118.311 119.800 0.133 0.000 2.170 448 Q HA -0.268 4.072 4.340 0.000 0.000 0.203 448 Q C 2.094 178.179 176.000 0.142 0.000 0.976 448 Q CA 1.684 57.558 55.803 0.119 0.000 0.858 448 Q CB -0.132 28.683 28.738 0.128 0.000 0.907 448 Q HN 0.624 nan 8.270 nan 0.000 0.433 449 H N 0.568 119.684 119.070 0.076 0.000 2.326 449 H HA -0.035 4.521 4.556 0.000 0.000 0.301 449 H C 1.494 176.874 175.328 0.087 0.000 1.081 449 H CA 1.701 57.791 56.048 0.070 0.000 1.334 449 H CB 0.236 30.042 29.762 0.074 0.000 1.385 449 H HN 0.225 nan 8.280 nan 0.000 0.504 450 E N -0.281 119.939 120.200 0.032 0.000 2.153 450 E HA -0.131 4.219 4.350 0.000 0.000 0.194 450 E C 2.189 178.812 176.600 0.037 0.000 0.988 450 E CA 1.138 57.549 56.400 0.018 0.000 0.811 450 E CB 0.035 29.799 29.700 0.107 0.000 0.746 450 E HN 0.554 nan 8.360 nan 0.000 0.466 451 I N 1.340 121.928 120.570 0.030 0.000 2.406 451 I HA -0.207 3.963 4.170 0.000 0.000 0.249 451 I C 2.707 178.863 176.117 0.065 0.000 1.122 451 I CA 0.891 62.221 61.300 0.049 0.000 1.431 451 I CB -0.297 37.712 38.000 0.016 0.000 1.087 451 I HN 0.149 nan 8.210 nan 0.000 0.424 452 E N 1.384 121.601 120.200 0.027 0.000 2.150 452 E HA -0.238 4.112 4.350 0.000 0.000 0.193 452 E C 2.155 178.746 176.600 -0.015 0.000 0.985 452 E CA 1.140 57.552 56.400 0.020 0.000 0.814 452 E CB -0.193 29.538 29.700 0.051 0.000 0.752 452 E HN 0.466 nan 8.360 nan 0.000 0.466 453 M N -0.170 119.374 119.600 -0.092 0.000 2.319 453 M HA -0.076 4.404 4.480 0.000 0.000 0.265 453 M C 1.982 178.310 176.300 0.046 0.000 1.068 453 M CA 1.245 56.495 55.300 -0.084 0.000 1.118 453 M CB -0.097 32.381 32.600 -0.204 0.000 1.395 453 M HN 0.225 nan 8.290 nan 0.000 0.435 454 Y N 0.034 120.320 120.300 -0.025 0.000 2.231 454 Y HA -0.115 4.435 4.550 0.000 0.000 0.294 454 Y C 2.486 178.394 175.900 0.013 0.000 1.120 454 Y CA 1.295 59.401 58.100 0.011 0.000 1.141 454 Y CB -0.098 38.375 38.460 0.022 0.000 1.022 454 Y HN 0.020 nan 8.280 nan 0.000 0.523 455 R N 0.204 120.629 120.500 -0.125 0.000 2.119 455 R HA -0.241 4.099 4.340 0.000 0.000 0.246 455 R C 2.160 178.426 176.300 -0.056 0.000 1.146 455 R CA 2.031 58.054 56.100 -0.128 0.000 0.962 455 R CB -0.198 30.108 30.300 0.009 0.000 0.863 455 R HN 0.393 nan 8.270 nan 0.000 0.442 456 Q N -0.041 119.744 119.800 -0.025 0.000 2.124 456 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 456 Q C 2.160 178.158 176.000 -0.004 0.000 0.977 456 Q CA 2.100 57.904 55.803 0.001 0.000 0.850 456 Q CB -0.212 28.533 28.738 0.011 0.000 0.901 456 Q HN 0.486 nan 8.270 nan 0.000 0.429 457 S N -0.917 114.753 115.700 -0.049 0.000 2.414 457 S HA -0.026 4.444 4.470 0.000 0.000 0.227 457 S C 2.061 176.642 174.600 -0.032 0.000 1.022 457 S CA 0.828 59.011 58.200 -0.028 0.000 0.958 457 S CB -0.244 62.956 63.200 -0.001 0.000 0.797 457 S HN 0.097 nan 8.310 nan 0.000 0.493 458 V N 1.833 121.661 119.914 -0.144 0.000 2.379 458 V HA -0.019 4.101 4.120 0.000 0.000 0.245 458 V C 2.432 178.688 176.094 0.270 0.000 1.044 458 V CA 1.540 63.856 62.300 0.026 0.000 1.036 458 V CB -0.707 31.023 31.823 -0.154 0.000 0.664 458 V HN 0.454 nan 8.190 nan 0.000 0.453 459 I N 0.605 121.285 120.570 0.184 0.000 2.194 459 I HA -0.303 3.867 4.170 0.000 0.000 0.246 459 I C 2.606 178.839 176.117 0.192 0.000 1.093 459 I CA 1.678 63.070 61.300 0.154 0.000 1.355 459 I CB -0.425 37.596 38.000 0.036 0.000 1.046 459 I HN 0.300 nan 8.210 nan 0.000 0.413 460 A N -0.452 122.455 122.820 0.144 0.000 1.930 460 A HA -0.244 4.076 4.320 0.000 0.000 0.217 460 A C 2.251 179.950 177.584 0.192 0.000 1.175 460 A CA 1.403 53.522 52.037 0.135 0.000 0.627 460 A CB -0.517 18.534 19.000 0.085 0.000 0.815 460 A HN 0.466 nan 8.150 nan 0.000 0.443 461 Q N -1.709 118.237 119.800 0.244 0.000 2.119 461 Q HA -0.177 4.163 4.340 0.000 0.000 0.201 461 Q C 2.011 178.348 176.000 0.563 0.000 0.972 461 Q CA 1.233 57.234 55.803 0.330 0.000 0.847 461 Q CB -0.207 28.693 28.738 0.270 0.000 0.903 461 Q HN 0.935 nan 8.270 nan 0.000 0.433 462 W N 1.654 123.140 121.300 0.310 0.000 2.388 462 W HA -0.140 4.520 4.660 0.000 0.000 0.294 462 W C 1.360 177.895 176.519 0.027 0.000 1.212 462 W CA 1.078 58.473 57.345 0.083 0.000 1.271 462 W CB 0.145 29.615 29.460 0.016 0.000 1.126 462 W HN 0.023 nan 8.180 nan 0.000 0.535 463 K N 0.109 120.707 120.400 0.330 0.000 2.116 463 K HA -0.038 4.282 4.320 0.000 0.000 0.203 463 K C 2.113 178.782 176.600 0.114 0.000 1.052 463 K CA 1.244 57.649 56.287 0.197 0.000 0.952 463 K CB -0.736 31.857 32.500 0.155 0.000 0.729 463 K HN 0.080 nan 8.250 nan 0.000 0.446 464 A N 0.514 123.411 122.820 0.129 0.000 2.066 464 A HA -0.054 4.266 4.320 0.000 0.000 0.218 464 A C 1.960 179.589 177.584 0.075 0.000 1.157 464 A CA 1.117 53.209 52.037 0.093 0.000 0.670 464 A CB -0.167 18.891 19.000 0.096 0.000 0.804 464 A HN 0.183 nan 8.150 nan 0.000 0.453 465 M N -2.133 117.516 119.600 0.082 0.000 2.382 465 M HA 0.236 4.716 4.480 0.000 0.000 0.247 465 M C 0.522 176.783 176.300 -0.065 0.000 1.104 465 M CA 0.285 55.606 55.300 0.035 0.000 1.030 465 M CB 0.035 32.706 32.600 0.118 0.000 1.424 465 M HN 0.508 nan 8.290 nan 0.000 0.486 466 N N 0.618 119.269 118.700 -0.082 0.000 2.747 466 N HA -0.152 4.588 4.740 0.000 0.000 0.249 466 N C -0.982 174.396 175.510 -0.220 0.000 1.107 466 N CA 0.050 53.040 53.050 -0.099 0.000 0.707 466 N CB -1.020 37.442 38.487 -0.041 0.000 1.054 466 N HN 0.338 nan 8.380 nan 0.000 0.555 467 L N -1.548 119.383 121.223 -0.486 0.000 2.476 467 L HA 0.219 4.559 4.340 0.000 0.000 0.264 467 L C 1.164 177.759 176.870 -0.458 0.000 1.224 467 L CA -0.136 54.293 54.840 -0.684 0.000 0.821 467 L CB 0.346 41.645 42.059 -1.268 0.000 1.101 467 L HN 0.056 nan 8.230 nan 0.000 0.488 468 D N -0.509 119.699 120.400 -0.320 0.000 2.449 468 D HA 0.302 4.942 4.640 0.000 0.000 0.210 468 D C -0.408 175.932 176.300 0.067 0.000 1.094 468 D CA 0.520 54.499 54.000 -0.035 0.000 0.846 468 D CB 1.770 42.523 40.800 -0.078 0.000 1.003 468 D HN 0.220 nan 8.370 nan 0.000 0.504 469 V N 0.968 120.755 119.914 -0.213 0.000 3.088 469 V HA 0.229 4.349 4.120 0.000 0.000 0.272 469 V C -2.034 173.761 176.094 -0.498 0.000 1.611 469 V CA -0.848 61.288 62.300 -0.274 0.000 0.990 469 V CB 2.868 34.323 31.823 -0.614 0.000 1.234 469 V HN -0.072 nan 8.190 nan 0.000 0.453 470 L N 4.697 125.794 121.223 -0.210 0.000 2.386 470 L HA 0.844 5.184 4.340 0.000 0.000 0.271 470 L C -1.353 175.549 176.870 0.052 0.000 0.993 470 L CA -0.315 54.452 54.840 -0.122 0.000 0.819 470 L CB 1.714 43.818 42.059 0.075 0.000 1.294 470 L HN 0.658 nan 8.230 nan 0.000 0.414 471 L N 3.439 124.694 121.223 0.053 0.000 2.329 471 L HA 0.861 5.201 4.340 0.000 0.000 0.279 471 L C -0.694 176.084 176.870 -0.153 0.000 1.014 471 L CA 0.307 55.200 54.840 0.090 0.000 0.814 471 L CB 2.100 44.280 42.059 0.202 0.000 1.257 471 L HN 0.730 nan 8.230 nan 0.000 0.424 472 T N 4.430 118.865 114.554 -0.198 0.000 3.159 472 T HA 0.401 4.751 4.350 0.000 0.000 0.343 472 T C -2.888 171.686 174.700 -0.210 0.000 1.364 472 T CA -0.741 61.122 62.100 -0.395 0.000 1.102 472 T CB 2.188 70.915 68.868 -0.234 0.000 1.263 472 T HN 0.248 nan 8.240 nan 0.000 0.477 473 P HA 0.388 nan 4.420 nan 0.000 0.282 473 P C -0.550 176.549 177.300 -0.336 0.000 1.262 473 P CA -0.733 62.194 63.100 -0.289 0.000 0.773 473 P CB 0.409 31.874 31.700 -0.391 0.000 0.879 474 M N 4.339 123.826 119.600 -0.188 0.000 2.243 474 M HA 0.145 4.625 4.480 0.000 0.000 0.341 474 M C -0.178 176.067 176.300 -0.092 0.000 1.130 474 M CA -1.027 54.201 55.300 -0.120 0.000 1.162 474 M CB -0.289 32.269 32.600 -0.070 0.000 1.497 474 M HN 0.250 nan 8.290 nan 0.000 0.456 475 L N 3.347 124.604 121.223 0.057 0.000 2.529 475 L HA 0.085 4.425 4.340 0.000 0.000 0.287 475 L C 0.900 177.920 176.870 0.249 0.000 1.241 475 L CA 0.732 55.718 54.840 0.243 0.000 0.857 475 L CB -0.010 42.355 42.059 0.510 0.000 1.113 475 L HN 0.945 nan 8.230 nan 0.000 0.504 476 G N 4.497 113.398 108.800 0.169 0.000 2.467 476 G HA2 0.152 4.112 3.960 0.000 0.000 0.243 476 G HA3 0.152 4.112 3.960 0.000 0.000 0.243 476 G C -2.433 172.439 174.900 -0.046 0.000 1.521 476 G CA -0.458 44.663 45.100 0.034 0.000 1.055 476 G HN 0.595 nan 8.290 nan 0.000 0.553 477 P HA 0.297 nan 4.420 nan 0.000 0.271 477 P C -0.105 176.868 177.300 -0.546 0.000 1.216 477 P CA -0.038 62.894 63.100 -0.280 0.000 0.776 477 P CB 0.651 32.222 31.700 -0.215 0.000 0.881 478 A N 3.830 126.149 122.820 -0.836 0.000 2.600 478 A HA -0.017 4.303 4.320 0.000 0.000 0.244 478 A C 0.450 177.618 177.584 -0.693 0.000 1.016 478 A CA 0.203 51.446 52.037 -1.323 0.000 0.778 478 A CB -0.927 17.673 19.000 -0.667 0.000 0.920 478 A HN 0.488 nan 8.150 nan 0.000 0.513 479 L N 2.511 123.370 121.223 -0.606 0.000 2.474 479 L HA 0.147 4.487 4.340 0.000 0.000 0.259 479 L C 1.113 177.890 176.870 -0.155 0.000 1.232 479 L CA 0.369 55.072 54.840 -0.229 0.000 0.821 479 L CB 0.111 42.122 42.059 -0.080 0.000 1.108 479 L HN 0.728 nan 8.230 nan 0.000 0.495 480 D N -0.567 119.769 120.400 -0.107 0.000 2.273 480 D HA -0.023 4.617 4.640 0.000 0.000 0.247 480 D C 1.085 177.347 176.300 -0.063 0.000 1.313 480 D CA -0.288 53.667 54.000 -0.075 0.000 0.974 480 D CB 0.323 41.087 40.800 -0.059 0.000 1.157 480 D HN 0.217 nan 8.370 nan 0.000 0.533 481 L N 0.512 121.707 121.223 -0.046 0.000 1.988 481 L HA -0.049 4.291 4.340 0.000 0.000 0.207 481 L C 1.236 178.076 176.870 -0.050 0.000 1.071 481 L CA 1.774 56.592 54.840 -0.036 0.000 0.744 481 L CB -0.751 41.293 42.059 -0.024 0.000 0.893 481 L HN 0.263 nan 8.230 nan 0.000 0.433 482 N N -1.321 117.348 118.700 -0.053 0.000 2.380 482 N HA 0.094 4.834 4.740 0.000 0.000 0.255 482 N C 0.890 176.353 175.510 -0.079 0.000 1.158 482 N CA 0.743 53.758 53.050 -0.058 0.000 0.878 482 N CB 0.328 38.793 38.487 -0.036 0.000 1.138 482 N HN 0.479 nan 8.380 nan 0.000 0.509 483 T N -4.399 110.089 114.554 -0.111 0.000 2.969 483 T HA 0.227 4.577 4.350 0.000 0.000 0.250 483 T C -1.120 173.453 174.700 -0.213 0.000 1.021 483 T CA -0.078 61.951 62.100 -0.118 0.000 1.003 483 T CB -0.268 68.552 68.868 -0.081 0.000 1.040 483 T HN -0.132 nan 8.240 nan 0.000 0.492 484 P HA -0.034 nan 4.420 nan 0.000 0.216 484 P C 1.930 178.854 177.300 -0.626 0.000 1.154 484 P CA 1.677 64.227 63.100 -0.917 0.000 0.865 484 P CB -0.698 30.150 31.700 -1.420 0.000 0.789 485 G N -0.222 108.363 108.800 -0.359 0.000 2.479 485 G HA2 -0.234 3.726 3.960 0.000 0.000 0.220 485 G HA3 -0.234 3.726 3.960 0.000 0.000 0.220 485 G C 1.291 176.142 174.900 -0.083 0.000 1.115 485 G CA 0.335 45.336 45.100 -0.165 0.000 0.757 485 G HN 0.309 nan 8.290 nan 0.000 0.560 486 R N 0.072 120.524 120.500 -0.079 0.000 2.426 486 R HA 0.415 4.755 4.340 0.000 0.000 0.263 486 R C 0.586 176.895 176.300 0.016 0.000 0.961 486 R CA 0.453 56.561 56.100 0.012 0.000 1.086 486 R CB 0.545 30.863 30.300 0.030 0.000 1.186 486 R HN 0.246 nan 8.270 nan 0.000 0.537 487 A N 0.188 122.919 122.820 -0.149 0.000 2.843 487 A HA 0.180 4.500 4.320 0.000 0.000 0.248 487 A C 0.904 178.187 177.584 -0.501 0.000 0.904 487 A CA -0.437 51.456 52.037 -0.239 0.000 1.091 487 A CB 0.186 19.186 19.000 0.000 0.000 1.208 487 A HN 0.010 nan 8.150 nan 0.000 0.476 488 T N -0.114 113.853 114.554 -0.977 0.000 2.721 488 T HA -0.181 4.169 4.350 0.000 0.000 0.268 488 T C 2.054 176.143 174.700 -1.017 0.000 1.038 488 T CA 2.295 63.816 62.100 -0.966 0.000 1.145 488 T CB -0.152 68.023 68.868 -1.155 0.000 0.858 488 T HN 0.734 nan 8.240 nan 0.000 0.459 489 G N 0.905 108.813 108.800 -1.486 0.000 2.462 489 G HA2 -0.044 3.916 3.960 0.000 0.000 0.220 489 G HA3 -0.044 3.916 3.960 0.000 0.000 0.220 489 G C 1.728 176.541 174.900 -0.145 0.000 1.121 489 G CA 0.804 45.570 45.100 -0.556 0.000 0.758 489 G HN 0.614 nan 8.290 nan 0.000 0.559 490 A N 1.229 123.965 122.820 -0.141 0.000 2.070 490 A HA 0.034 4.354 4.320 0.000 0.000 0.220 490 A C 2.274 179.853 177.584 -0.007 0.000 1.159 490 A CA 1.213 53.262 52.037 0.019 0.000 0.656 490 A CB -0.398 18.656 19.000 0.090 0.000 0.800 490 A HN 0.838 nan 8.150 nan 0.000 0.453 491 I N -1.278 119.201 120.570 -0.150 0.000 3.444 491 I HA -0.057 4.113 4.170 0.000 0.000 0.287 491 I C 1.976 178.091 176.117 -0.004 0.000 1.302 491 I CA 1.102 62.396 61.300 -0.010 0.000 1.368 491 I CB -0.494 37.435 38.000 -0.117 0.000 1.048 491 I HN 0.277 nan 8.210 nan 0.000 0.487 492 S N 1.948 117.610 115.700 -0.064 0.000 2.372 492 S HA -0.322 4.148 4.470 0.000 0.000 0.227 492 S C 1.897 176.391 174.600 -0.177 0.000 1.044 492 S CA 1.725 59.818 58.200 -0.180 0.000 1.050 492 S CB -1.243 61.848 63.200 -0.182 0.000 0.901 492 S HN 0.663 nan 8.310 nan 0.000 0.447 493 Y N 2.913 123.261 120.300 0.080 0.000 2.274 493 Y HA -0.040 4.510 4.550 0.000 0.000 0.290 493 Y C 3.301 179.257 175.900 0.094 0.000 1.145 493 Y CA 1.444 59.625 58.100 0.135 0.000 1.203 493 Y CB -1.047 37.516 38.460 0.172 0.000 0.984 493 Y HN 0.664 nan 8.280 nan 0.000 0.533 494 T N -4.343 110.273 114.554 0.103 0.000 3.010 494 T HA -0.042 4.308 4.350 0.000 0.000 0.252 494 T C 1.947 176.628 174.700 -0.032 0.000 1.047 494 T CA 0.785 62.870 62.100 -0.024 0.000 1.140 494 T CB -0.900 67.743 68.868 -0.374 0.000 0.885 494 T HN 0.119 nan 8.240 nan 0.000 0.464 495 V N 1.353 121.218 119.914 -0.083 0.000 2.759 495 V HA 0.063 4.183 4.120 0.000 0.000 0.256 495 V C 2.282 178.255 176.094 -0.202 0.000 1.080 495 V CA 1.195 63.421 62.300 -0.124 0.000 1.101 495 V CB -0.495 31.248 31.823 -0.132 0.000 0.698 495 V HN 0.518 nan 8.190 nan 0.000 0.477 496 L N -0.789 120.245 121.223 -0.316 0.000 2.376 496 L HA -0.027 4.313 4.340 0.000 0.000 0.219 496 L C 1.632 178.089 176.870 -0.688 0.000 1.133 496 L CA 1.885 56.411 54.840 -0.523 0.000 0.816 496 L CB -0.477 41.198 42.059 -0.641 0.000 0.933 496 L HN 0.460 nan 8.230 nan 0.000 0.449 497 Y N -1.636 118.603 120.300 -0.100 0.000 2.458 497 Y HA 0.238 4.788 4.550 0.000 0.000 0.256 497 Y C 1.995 177.835 175.900 -0.099 0.000 1.159 497 Y CA -0.210 57.812 58.100 -0.131 0.000 1.261 497 Y CB -0.526 37.909 38.460 -0.040 0.000 1.119 497 Y HN 0.238 nan 8.280 nan 0.000 0.524 498 N N -1.170 117.511 118.700 -0.032 0.000 2.395 498 N HA -0.112 4.628 4.740 0.000 0.000 0.175 498 N C 1.736 177.199 175.510 -0.078 0.000 1.029 498 N CA 0.874 53.897 53.050 -0.045 0.000 0.897 498 N CB -0.206 38.247 38.487 -0.057 0.000 0.991 498 N HN 0.340 nan 8.380 nan 0.000 0.441 499 C N 0.969 120.191 119.300 -0.129 0.000 2.500 499 C HA 0.148 4.608 4.460 0.000 0.000 0.279 499 C C 2.563 177.494 174.990 -0.099 0.000 1.288 499 C CA 0.227 59.171 59.018 -0.123 0.000 1.710 499 C CB -1.008 26.634 27.740 -0.164 0.000 2.052 499 C HN 0.307 nan 8.230 nan 0.000 0.488 500 L N 0.082 121.186 121.223 -0.200 0.000 2.313 500 L HA 0.073 4.413 4.340 0.000 0.000 0.214 500 L C 0.673 177.478 176.870 -0.109 0.000 1.119 500 L CA 1.289 55.933 54.840 -0.326 0.000 0.809 500 L CB -0.499 41.004 42.059 -0.927 0.000 0.933 500 L HN 0.394 nan 8.230 nan 0.000 0.449 501 D N -0.202 120.181 120.400 -0.028 0.000 2.828 501 D HA -0.237 4.403 4.640 0.000 0.000 0.241 501 D C -0.543 175.894 176.300 0.228 0.000 1.142 501 D CA 0.510 54.544 54.000 0.057 0.000 0.755 501 D CB -1.017 39.768 40.800 -0.024 0.000 1.014 501 D HN 0.135 nan 8.370 nan 0.000 0.420 502 F N -0.103 119.800 119.950 -0.078 0.000 2.522 502 F HA 0.477 5.004 4.527 0.000 0.000 0.324 502 F C -1.577 174.152 175.800 -0.118 0.000 1.077 502 F CA -2.855 55.065 58.000 -0.134 0.000 0.944 502 F CB 1.974 40.936 39.000 -0.063 0.000 1.175 502 F HN -0.159 nan 8.300 nan 0.000 0.468 503 P HA 0.007 nan 4.420 nan 0.000 0.258 503 P C -1.114 176.196 177.300 0.017 0.000 1.187 503 P CA 0.414 63.512 63.100 -0.004 0.000 0.767 503 P CB 0.355 32.035 31.700 -0.033 0.000 0.770 504 A N 3.491 126.320 122.820 0.015 0.000 2.423 504 A HA 0.929 5.249 4.320 0.000 0.000 0.304 504 A C -0.223 177.355 177.584 -0.010 0.000 1.104 504 A CA -0.387 51.636 52.037 -0.023 0.000 0.757 504 A CB 2.009 21.002 19.000 -0.012 0.000 1.313 504 A HN 0.548 nan 8.150 nan 0.000 0.423 505 G N -0.970 107.816 108.800 -0.023 0.000 2.655 505 G HA2 0.567 4.527 3.960 0.000 0.000 0.296 505 G HA3 0.567 4.527 3.960 0.000 0.000 0.296 505 G C -2.088 172.790 174.900 -0.037 0.000 1.485 505 G CA -0.310 44.780 45.100 -0.016 0.000 0.869 505 G HN 1.158 nan 8.290 nan 0.000 0.540 506 V N 1.267 121.157 119.914 -0.040 0.000 2.483 506 V HA 0.695 4.815 4.120 0.000 0.000 0.297 506 V C -0.421 175.647 176.094 -0.042 0.000 1.027 506 V CA -0.800 61.468 62.300 -0.053 0.000 0.855 506 V CB 1.494 33.277 31.823 -0.067 0.000 0.995 506 V HN 1.107 nan 8.190 nan 0.000 0.424 507 V N 7.975 127.852 119.914 -0.061 0.000 2.487 507 V HA 0.747 4.867 4.120 0.000 0.000 0.298 507 V C -2.436 173.623 176.094 -0.057 0.000 1.028 507 V CA -2.229 60.038 62.300 -0.056 0.000 0.860 507 V CB 2.607 34.382 31.823 -0.081 0.000 0.991 507 V HN 0.736 nan 8.190 nan 0.000 0.427 508 P HA 0.206 nan 4.420 nan 0.000 0.271 508 P C 0.247 177.520 177.300 -0.046 0.000 1.218 508 P CA 0.318 63.392 63.100 -0.042 0.000 0.780 508 P CB 1.649 33.334 31.700 -0.025 0.000 0.901 509 V N -1.426 118.456 119.914 -0.054 0.000 3.359 509 V HA 0.367 4.487 4.120 0.000 0.000 0.270 509 V C 0.354 176.422 176.094 -0.043 0.000 1.583 509 V CA 0.511 62.779 62.300 -0.054 0.000 1.019 509 V CB 0.407 32.189 31.823 -0.069 0.000 0.831 509 V HN 0.686 nan 8.190 nan 0.000 0.426 510 T N -0.025 114.501 114.554 -0.048 0.000 2.722 510 T HA 0.528 4.878 4.350 0.000 0.000 0.314 510 T C -0.915 173.743 174.700 -0.069 0.000 1.675 510 T CA 0.603 62.676 62.100 -0.045 0.000 1.003 510 T CB 1.656 70.498 68.868 -0.044 0.000 1.602 510 T HN 1.021 nan 8.240 nan 0.000 0.496 511 T N -0.600 113.918 114.554 -0.061 0.000 2.888 511 T HA 0.717 5.067 4.350 0.000 0.000 0.288 511 T C -0.729 173.930 174.700 -0.069 0.000 1.063 511 T CA -0.545 61.497 62.100 -0.096 0.000 1.010 511 T CB 1.198 70.004 68.868 -0.103 0.000 1.214 511 T HN 0.530 nan 8.240 nan 0.000 0.533 512 V N 3.718 123.582 119.914 -0.083 0.000 2.479 512 V HA 0.337 4.457 4.120 0.000 0.000 0.281 512 V C 1.340 177.416 176.094 -0.031 0.000 1.031 512 V CA -0.067 62.197 62.300 -0.059 0.000 1.038 512 V CB 0.123 31.901 31.823 -0.076 0.000 0.981 512 V HN 1.155 nan 8.190 nan 0.000 0.478 513 T N 2.763 117.305 114.554 -0.020 0.000 2.810 513 T HA 0.551 4.901 4.350 0.000 0.000 0.277 513 T C 1.428 176.124 174.700 -0.006 0.000 0.973 513 T CA -0.063 62.033 62.100 -0.007 0.000 0.949 513 T CB 1.439 70.305 68.868 -0.002 0.000 1.075 513 T HN 0.637 nan 8.240 nan 0.000 0.537 514 A N 0.257 123.077 122.820 0.000 0.000 1.902 514 A HA 0.077 4.397 4.320 0.000 0.000 0.217 514 A C 2.590 180.175 177.584 0.001 0.000 1.181 514 A CA 2.095 54.132 52.037 0.001 0.000 0.623 514 A CB -1.823 17.180 19.000 0.005 0.000 0.818 514 A HN 1.112 nan 8.150 nan 0.000 0.443 515 E N 0.242 120.443 120.200 0.002 0.000 2.106 515 E HA -0.216 4.134 4.350 0.000 0.000 0.192 515 E C 1.625 178.228 176.600 0.004 0.000 0.984 515 E CA 1.444 57.847 56.400 0.005 0.000 0.806 515 E CB -0.806 28.898 29.700 0.007 0.000 0.750 515 E HN 0.682 nan 8.360 nan 0.000 0.458 516 D N 0.496 120.894 120.400 -0.002 0.000 2.117 516 D HA -0.127 4.513 4.640 0.000 0.000 0.197 516 D C 1.669 177.961 176.300 -0.014 0.000 0.987 516 D CA 1.679 55.674 54.000 -0.008 0.000 0.829 516 D CB -0.435 40.353 40.800 -0.019 0.000 0.961 516 D HN 0.448 nan 8.370 nan 0.000 0.460 517 D N 0.005 120.394 120.400 -0.017 0.000 2.183 517 D HA 0.010 4.650 4.640 0.000 0.000 0.203 517 D C 1.920 178.214 176.300 -0.011 0.000 0.969 517 D CA 0.984 54.971 54.000 -0.022 0.000 0.842 517 D CB 0.055 40.841 40.800 -0.023 0.000 0.957 517 D HN 0.077 nan 8.370 nan 0.000 0.484 518 A N 0.010 122.829 122.820 -0.001 0.000 1.873 518 A HA -0.110 4.210 4.320 0.000 0.000 0.215 518 A C 2.313 179.906 177.584 0.015 0.000 1.186 518 A CA 2.361 54.401 52.037 0.006 0.000 0.616 518 A CB -1.303 17.702 19.000 0.008 0.000 0.823 518 A HN 0.334 nan 8.150 nan 0.000 0.442 519 Q N -1.357 118.455 119.800 0.019 0.000 2.488 519 Q HA 0.156 4.496 4.340 0.000 0.000 0.211 519 Q C 1.792 177.824 176.000 0.054 0.000 0.967 519 Q CA 1.397 57.221 55.803 0.035 0.000 0.926 519 Q CB -0.831 27.929 28.738 0.037 0.000 0.992 519 Q HN 0.555 nan 8.270 nan 0.000 0.506 520 M N 0.468 120.086 119.600 0.030 0.000 2.279 520 M HA -0.081 4.399 4.480 0.000 0.000 0.264 520 M C 2.185 178.525 176.300 0.066 0.000 1.062 520 M CA 1.651 56.965 55.300 0.023 0.000 1.099 520 M CB -0.795 31.780 32.600 -0.042 0.000 1.394 520 M HN 0.747 nan 8.290 nan 0.000 0.426 521 E N -0.440 119.792 120.200 0.054 0.000 2.358 521 E HA 0.170 4.520 4.350 0.000 0.000 0.195 521 E C 1.898 178.541 176.600 0.072 0.000 1.010 521 E CA 1.204 57.639 56.400 0.058 0.000 0.856 521 E CB -1.124 28.597 29.700 0.034 0.000 0.795 521 E HN 0.542 nan 8.360 nan 0.000 0.504 522 L N -1.356 119.914 121.223 0.079 0.000 2.607 522 L HA 0.524 4.864 4.340 0.000 0.000 0.228 522 L C 1.415 178.330 176.870 0.074 0.000 1.123 522 L CA 0.071 54.948 54.840 0.061 0.000 0.890 522 L CB -1.370 40.714 42.059 0.042 0.000 1.103 522 L HN 0.542 nan 8.230 nan 0.000 0.468 523 Y N 2.605 122.897 120.300 -0.012 0.000 2.815 523 Y HA 0.344 4.894 4.550 0.000 0.000 0.346 523 Y C 0.626 176.509 175.900 -0.028 0.000 1.267 523 Y CA 0.895 58.981 58.100 -0.023 0.000 1.604 523 Y CB -0.332 38.122 38.460 -0.010 0.000 1.218 523 Y HN 0.422 nan 8.280 nan 0.000 0.527 524 K N 5.129 125.268 120.400 -0.435 0.000 2.463 524 K HA 0.659 4.979 4.320 0.000 0.000 0.255 524 K C 0.231 176.429 176.600 -0.671 0.000 0.942 524 K CA -0.362 55.674 56.287 -0.418 0.000 0.814 524 K CB 0.887 33.265 32.500 -0.205 0.000 1.122 524 K HN 1.018 nan 8.250 nan 0.000 0.425 525 G N -0.122 108.312 108.800 -0.611 0.000 2.716 525 G HA2 0.344 4.304 3.960 0.000 0.000 0.251 525 G HA3 0.344 4.304 3.960 0.000 0.000 0.251 525 G C 0.228 174.907 174.900 -0.368 0.000 1.224 525 G CA -0.090 44.708 45.100 -0.502 0.000 0.891 525 G HN 0.712 nan 8.290 nan 0.000 0.561 526 Y N -0.939 119.306 120.300 -0.090 0.000 2.578 526 Y HA 0.187 4.737 4.550 0.000 0.000 0.297 526 Y C 1.511 177.038 175.900 -0.622 0.000 1.176 526 Y CA 0.481 58.377 58.100 -0.340 0.000 1.315 526 Y CB -0.086 38.119 38.460 -0.425 0.000 1.031 526 Y HN 0.404 nan 8.280 nan 0.000 0.524 527 F N -2.635 117.331 119.950 0.027 0.000 2.671 527 F HA 0.368 4.895 4.527 0.000 0.000 0.303 527 F C 2.018 177.834 175.800 0.027 0.000 0.935 527 F CA 0.394 58.404 58.000 0.017 0.000 1.136 527 F CB 0.054 39.052 39.000 -0.004 0.000 0.929 527 F HN -0.129 nan 8.300 nan 0.000 0.659 528 G N 1.319 110.228 108.800 0.183 0.000 2.168 528 G HA2 -0.304 3.656 3.960 0.000 0.000 0.263 528 G HA3 -0.304 3.656 3.960 0.000 0.000 0.263 528 G C -0.108 174.896 174.900 0.173 0.000 0.977 528 G CA 0.561 45.736 45.100 0.125 0.000 0.659 528 G HN 0.447 nan 8.290 nan 0.000 0.533 529 D N -0.152 120.373 120.400 0.208 0.000 2.398 529 D HA 0.300 4.940 4.640 0.000 0.000 0.247 529 D C 1.857 178.150 176.300 -0.011 0.000 1.227 529 D CA -0.551 53.505 54.000 0.093 0.000 0.980 529 D CB 0.210 41.035 40.800 0.042 0.000 1.106 529 D HN 0.234 nan 8.370 nan 0.000 0.493 530 I N -0.403 120.065 120.570 -0.169 0.000 2.181 530 I HA -0.295 3.875 4.170 0.000 0.000 0.247 530 I C 1.195 177.373 176.117 0.102 0.000 1.081 530 I CA 1.699 62.945 61.300 -0.091 0.000 1.340 530 I CB -0.301 37.578 38.000 -0.202 0.000 1.036 530 I HN 0.440 nan 8.210 nan 0.000 0.417 531 W N 1.623 122.892 121.300 -0.052 0.000 2.338 531 W HA -0.194 4.466 4.660 -0.000 0.000 0.304 531 W C 2.524 179.069 176.519 0.043 0.000 1.212 531 W CA 1.176 58.502 57.345 -0.031 0.000 1.264 531 W CB -1.445 27.964 29.460 -0.084 0.000 1.142 531 W HN 0.292 nan 8.180 nan 0.000 0.512 532 D N -0.228 120.355 120.400 0.304 0.000 2.117 532 D HA -0.151 4.489 4.640 0.000 0.000 0.197 532 D C 2.131 178.578 176.300 0.244 0.000 0.987 532 D CA 1.291 55.455 54.000 0.273 0.000 0.829 532 D CB -0.351 40.564 40.800 0.192 0.000 0.961 532 D HN 0.023 nan 8.370 nan 0.000 0.460 533 I N 0.699 121.369 120.570 0.166 0.000 2.252 533 I HA -0.169 4.001 4.170 0.000 0.000 0.245 533 I C 2.523 178.706 176.117 0.111 0.000 1.102 533 I CA 0.619 61.992 61.300 0.121 0.000 1.385 533 I CB -0.947 37.095 38.000 0.069 0.000 1.064 533 I HN -0.031 nan 8.210 nan 0.000 0.414 534 I N -0.003 120.633 120.570 0.111 0.000 2.394 534 I HA -0.252 3.918 4.170 0.000 0.000 0.251 534 I C 2.341 178.498 176.117 0.067 0.000 1.136 534 I CA 0.687 62.035 61.300 0.079 0.000 1.425 534 I CB -0.194 37.853 38.000 0.079 0.000 1.079 534 I HN 0.104 nan 8.210 nan 0.000 0.425 535 L N 0.780 122.067 121.223 0.107 0.000 2.012 535 L HA -0.267 4.073 4.340 0.000 0.000 0.210 535 L C 2.449 179.304 176.870 -0.026 0.000 1.073 535 L CA 1.932 56.808 54.840 0.061 0.000 0.748 535 L CB -1.006 41.137 42.059 0.140 0.000 0.891 535 L HN 0.191 nan 8.230 nan 0.000 0.431 536 K N -0.320 120.108 120.400 0.047 0.000 2.009 536 K HA -0.229 4.091 4.320 0.000 0.000 0.210 536 K C 2.253 178.845 176.600 -0.013 0.000 1.049 536 K CA 2.524 58.824 56.287 0.022 0.000 0.929 536 K CB -0.198 32.399 32.500 0.162 0.000 0.714 536 K HN 0.249 nan 8.250 nan 0.000 0.440 537 K N 0.254 120.660 120.400 0.009 0.000 2.057 537 K HA -0.006 4.314 4.320 0.000 0.000 0.207 537 K C 2.191 178.772 176.600 -0.032 0.000 1.049 537 K CA 1.702 57.985 56.287 -0.007 0.000 0.931 537 K CB -1.297 31.206 32.500 0.004 0.000 0.714 537 K HN 0.455 nan 8.250 nan 0.000 0.440 538 A N 0.114 122.911 122.820 -0.038 0.000 2.015 538 A HA 0.101 4.421 4.320 0.000 0.000 0.219 538 A C 2.316 179.843 177.584 -0.094 0.000 1.163 538 A CA 1.629 53.630 52.037 -0.060 0.000 0.646 538 A CB -0.178 18.791 19.000 -0.052 0.000 0.806 538 A HN 0.522 nan 8.150 nan 0.000 0.448 539 M N -0.638 118.895 119.600 -0.112 0.000 2.382 539 M HA 0.094 4.574 4.480 0.000 0.000 0.247 539 M C 1.141 177.365 176.300 -0.127 0.000 1.104 539 M CA 0.442 55.652 55.300 -0.150 0.000 1.030 539 M CB -0.067 32.414 32.600 -0.198 0.000 1.424 539 M HN 0.361 nan 8.290 nan 0.000 0.486 540 K N 1.184 121.529 120.400 -0.092 0.000 2.180 540 K HA 0.160 4.480 4.320 0.000 0.000 0.251 540 K C 0.630 177.195 176.600 -0.058 0.000 1.014 540 K CA -0.253 55.995 56.287 -0.065 0.000 0.913 540 K CB -0.081 32.395 32.500 -0.041 0.000 1.008 540 K HN 0.410 nan 8.250 nan 0.000 0.490 541 N N -0.477 118.197 118.700 -0.043 0.000 2.780 541 N HA -0.133 4.607 4.740 0.000 0.000 0.247 541 N C -0.226 175.259 175.510 -0.041 0.000 1.076 541 N CA 1.154 54.184 53.050 -0.033 0.000 0.688 541 N CB -1.320 37.151 38.487 -0.026 0.000 0.957 541 N HN 0.582 nan 8.380 nan 0.000 0.551 542 S N -1.223 114.447 115.700 -0.050 0.000 2.780 542 S HA 0.190 4.660 4.470 0.000 0.000 0.248 542 S C 0.265 174.831 174.600 -0.056 0.000 1.036 542 S CA -0.199 57.960 58.200 -0.069 0.000 1.061 542 S CB 0.786 63.920 63.200 -0.111 0.000 1.037 542 S HN 0.235 nan 8.310 nan 0.000 0.584 543 V N 1.899 121.796 119.914 -0.028 0.000 2.557 543 V HA 0.373 4.493 4.120 0.000 0.000 0.301 543 V C 1.620 177.722 176.094 0.013 0.000 1.026 543 V CA 1.029 63.322 62.300 -0.011 0.000 1.137 543 V CB -0.274 31.550 31.823 0.002 0.000 0.917 543 V HN 0.583 nan 8.190 nan 0.000 0.484 544 G N 3.429 112.236 108.800 0.011 0.000 2.258 544 G HA2 -0.192 3.768 3.960 0.000 0.000 0.233 544 G HA3 -0.192 3.768 3.960 0.000 0.000 0.233 544 G C 0.091 174.990 174.900 -0.002 0.000 1.006 544 G CA -0.080 45.062 45.100 0.069 0.000 0.620 544 G HN 0.555 nan 8.290 nan 0.000 0.511 545 L N 2.827 123.979 121.223 -0.118 0.000 2.397 545 L HA 0.351 4.691 4.340 0.000 0.000 0.271 545 L C -1.577 175.002 176.870 -0.485 0.000 1.148 545 L CA -1.389 53.233 54.840 -0.362 0.000 0.825 545 L CB 0.721 42.636 42.059 -0.239 0.000 1.117 545 L HN 0.071 nan 8.230 nan 0.000 0.456 546 P HA 0.177 nan 4.420 nan 0.000 0.275 546 P C -0.816 176.317 177.300 -0.277 0.000 1.227 546 P CA -0.206 62.585 63.100 -0.513 0.000 0.781 546 P CB 1.317 32.643 31.700 -0.624 0.000 0.906 547 V N 1.706 121.515 119.914 -0.176 0.000 2.769 547 V HA 0.827 4.947 4.120 0.000 0.000 0.312 547 V C 0.362 176.412 176.094 -0.073 0.000 1.058 547 V CA -0.911 61.329 62.300 -0.100 0.000 0.952 547 V CB 1.542 33.314 31.823 -0.086 0.000 1.019 547 V HN 0.792 nan 8.190 nan 0.000 0.445 548 A N 1.989 124.783 122.820 -0.044 0.000 2.430 548 A HA 0.919 5.239 4.320 0.000 0.000 0.300 548 A C -1.080 176.465 177.584 -0.065 0.000 1.124 548 A CA -0.724 51.284 52.037 -0.049 0.000 0.766 548 A CB 2.059 21.041 19.000 -0.030 0.000 1.328 548 A HN 0.747 nan 8.150 nan 0.000 0.424 549 V N 0.253 120.119 119.914 -0.080 0.000 2.667 549 V HA 0.541 4.661 4.120 0.000 0.000 0.308 549 V C -0.265 175.773 176.094 -0.094 0.000 1.048 549 V CA -0.474 61.770 62.300 -0.093 0.000 0.928 549 V CB 1.750 33.512 31.823 -0.102 0.000 1.004 549 V HN 1.001 nan 8.190 nan 0.000 0.444 550 Q N 3.785 123.532 119.800 -0.087 0.000 2.293 550 Q HA 0.479 4.819 4.340 0.000 0.000 0.261 550 Q C -1.501 174.478 176.000 -0.035 0.000 0.960 550 Q CA -0.500 55.262 55.803 -0.069 0.000 0.882 550 Q CB 1.383 30.087 28.738 -0.056 0.000 1.275 550 Q HN 0.806 nan 8.270 nan 0.000 0.445 551 C N 3.915 123.212 119.300 -0.005 0.000 2.298 551 C HA 0.686 5.146 4.460 0.000 0.000 0.323 551 C C -0.555 174.494 174.990 0.099 0.000 1.284 551 C CA -0.748 58.355 59.018 0.142 0.000 1.577 551 C CB 0.452 28.255 27.740 0.105 0.000 2.249 551 C HN 0.630 nan 8.230 nan 0.000 0.497 552 V N 3.304 123.278 119.914 0.101 0.000 2.531 552 V HA 0.800 4.920 4.120 0.000 0.000 0.301 552 V C 0.360 176.550 176.094 0.161 0.000 1.034 552 V CA -0.082 62.226 62.300 0.015 0.000 0.865 552 V CB 1.574 33.248 31.823 -0.249 0.000 0.995 552 V HN 1.074 nan 8.190 nan 0.000 0.424 553 A N 4.654 127.502 122.820 0.046 0.000 2.284 553 A HA 0.872 5.192 4.320 0.000 0.000 0.317 553 A C -0.293 176.933 177.584 -0.597 0.000 1.120 553 A CA -0.787 51.214 52.037 -0.060 0.000 0.900 553 A CB 0.786 19.764 19.000 -0.036 0.000 1.319 553 A HN 0.757 nan 8.150 nan 0.000 0.494 554 L N 0.675 121.341 121.223 -0.930 0.000 2.482 554 L HA 0.169 4.509 4.340 0.000 0.000 0.273 554 L C -1.952 174.415 176.870 -0.839 0.000 1.228 554 L CA -1.333 52.712 54.840 -1.325 0.000 0.827 554 L CB 0.222 41.658 42.059 -1.038 0.000 1.099 554 L HN 0.409 nan 8.230 nan 0.000 0.494 555 P HA -0.125 nan 4.420 nan 0.000 0.263 555 P C -0.759 176.339 177.300 -0.337 0.000 1.175 555 P CA 0.598 63.331 63.100 -0.612 0.000 0.761 555 P CB 0.105 31.462 31.700 -0.571 0.000 0.794 556 W N 0.320 121.545 121.300 -0.125 0.000 1.628 556 W HA -0.200 4.460 4.660 0.000 0.000 0.245 556 W C 0.639 177.105 176.519 -0.088 0.000 0.995 556 W CA 0.077 57.372 57.345 -0.083 0.000 0.424 556 W CB -2.049 27.364 29.460 -0.079 0.000 2.004 556 W HN 0.367 nan 8.180 nan 0.000 1.271 557 Q N 1.085 120.898 119.800 0.021 0.000 2.620 557 Q HA 0.125 4.465 4.340 0.000 0.000 0.333 557 Q C 1.125 177.128 176.000 0.005 0.000 1.017 557 Q CA 0.532 56.331 55.803 -0.007 0.000 0.962 557 Q CB 0.287 28.988 28.738 -0.061 0.000 1.297 557 Q HN 0.362 nan 8.270 nan 0.000 0.419 558 E N 1.402 121.627 120.200 0.042 0.000 2.097 558 E HA -0.243 4.107 4.350 0.000 0.000 0.196 558 E C 1.748 178.405 176.600 0.095 0.000 1.000 558 E CA 1.811 58.257 56.400 0.077 0.000 0.804 558 E CB 0.247 30.027 29.700 0.133 0.000 0.740 558 E HN 0.506 nan 8.360 nan 0.000 0.454 559 E N 0.390 120.601 120.200 0.019 0.000 2.072 559 E HA -0.169 4.181 4.350 0.000 0.000 0.190 559 E C 2.237 178.902 176.600 0.109 0.000 0.982 559 E CA 0.783 57.167 56.400 -0.027 0.000 0.803 559 E CB -0.526 28.913 29.700 -0.435 0.000 0.755 559 E HN 0.258 nan 8.360 nan 0.000 0.453 560 L N 1.586 122.844 121.223 0.058 0.000 2.131 560 L HA -0.076 4.264 4.340 0.000 0.000 0.210 560 L C 2.535 179.484 176.870 0.132 0.000 1.092 560 L CA 1.434 56.323 54.840 0.082 0.000 0.759 560 L CB -0.696 41.385 42.059 0.036 0.000 0.903 560 L HN 0.320 nan 8.230 nan 0.000 0.435 561 C N -0.693 118.681 119.300 0.124 0.000 2.413 561 C HA -0.164 4.296 4.460 0.000 0.000 0.276 561 C C 2.728 177.849 174.990 0.218 0.000 1.236 561 C CA 1.155 60.273 59.018 0.168 0.000 1.735 561 C CB -1.070 26.733 27.740 0.105 0.000 2.031 561 C HN 0.626 nan 8.230 nan 0.000 0.474 562 L N 0.445 121.802 121.223 0.224 0.000 2.217 562 L HA -0.043 4.297 4.340 0.000 0.000 0.211 562 L C 3.012 180.099 176.870 0.362 0.000 1.107 562 L CA 1.123 56.128 54.840 0.275 0.000 0.783 562 L CB -0.718 41.510 42.059 0.282 0.000 0.919 562 L HN 0.383 nan 8.230 nan 0.000 0.442 563 R N 0.100 120.809 120.500 0.349 0.000 2.081 563 R HA -0.226 4.114 4.340 0.000 0.000 0.235 563 R C 2.307 178.721 176.300 0.191 0.000 1.131 563 R CA 1.713 57.939 56.100 0.210 0.000 0.960 563 R CB -0.524 29.865 30.300 0.147 0.000 0.856 563 R HN 0.330 nan 8.270 nan 0.000 0.436 564 F N 0.735 120.704 119.950 0.031 0.000 2.234 564 F HA -0.151 4.376 4.527 0.000 0.000 0.299 564 F C 2.310 178.099 175.800 -0.019 0.000 1.087 564 F CA 1.084 59.068 58.000 -0.026 0.000 1.340 564 F CB 0.053 39.037 39.000 -0.028 0.000 1.031 564 F HN -0.007 nan 8.300 nan 0.000 0.500 565 M N -0.146 119.438 119.600 -0.027 0.000 2.132 565 M HA -0.201 4.279 4.480 0.000 0.000 0.263 565 M C 2.378 178.623 176.300 -0.092 0.000 1.065 565 M CA 1.723 56.951 55.300 -0.120 0.000 1.122 565 M CB -0.502 32.106 32.600 0.013 0.000 1.365 565 M HN 0.110 nan 8.290 nan 0.000 0.411 566 R N 0.668 121.178 120.500 0.016 0.000 2.083 566 R HA -0.241 4.099 4.340 0.000 0.000 0.237 566 R C 1.965 178.240 176.300 -0.042 0.000 1.137 566 R CA 2.240 58.351 56.100 0.019 0.000 0.951 566 R CB -0.242 30.085 30.300 0.044 0.000 0.851 566 R HN 0.272 nan 8.270 nan 0.000 0.434 567 E N -0.070 120.093 120.200 -0.063 0.000 2.058 567 E HA -0.156 4.194 4.350 0.000 0.000 0.194 567 E C 1.870 178.385 176.600 -0.141 0.000 0.997 567 E CA 1.936 58.289 56.400 -0.078 0.000 0.801 567 E CB -0.130 29.532 29.700 -0.063 0.000 0.746 567 E HN 0.238 nan 8.360 nan 0.000 0.450 568 V N 1.204 120.954 119.914 -0.273 0.000 2.407 568 V HA -0.228 3.892 4.120 0.000 0.000 0.248 568 V C 2.465 178.461 176.094 -0.163 0.000 1.055 568 V CA 2.187 64.314 62.300 -0.289 0.000 1.049 568 V CB -0.635 30.892 31.823 -0.495 0.000 0.662 568 V HN 0.411 nan 8.190 nan 0.000 0.455 569 E N -0.440 119.685 120.200 -0.126 0.000 2.110 569 E HA -0.257 4.093 4.350 0.000 0.000 0.193 569 E C 2.282 178.859 176.600 -0.040 0.000 0.988 569 E CA 1.173 57.535 56.400 -0.064 0.000 0.804 569 E CB -0.001 29.678 29.700 -0.034 0.000 0.745 569 E HN 0.561 nan 8.360 nan 0.000 0.458 570 Q N 0.121 119.897 119.800 -0.040 0.000 2.212 570 Q HA -0.025 4.315 4.340 0.000 0.000 0.199 570 Q C 2.412 178.401 176.000 -0.018 0.000 0.950 570 Q CA 0.365 56.157 55.803 -0.019 0.000 0.863 570 Q CB 0.164 28.894 28.738 -0.012 0.000 0.944 570 Q HN 0.361 nan 8.270 nan 0.000 0.465 571 L N -0.097 121.108 121.223 -0.031 0.000 2.093 571 L HA -0.142 4.198 4.340 0.000 0.000 0.208 571 L C 2.265 179.119 176.870 -0.025 0.000 1.085 571 L CA 0.763 55.589 54.840 -0.024 0.000 0.755 571 L CB -0.225 41.817 42.059 -0.029 0.000 0.904 571 L HN 0.207 nan 8.230 nan 0.000 0.435 572 M N -1.672 117.906 119.600 -0.038 0.000 2.501 572 M HA 0.131 4.611 4.480 0.000 0.000 0.261 572 M C 0.744 177.034 176.300 -0.016 0.000 1.129 572 M CA 0.705 55.986 55.300 -0.032 0.000 1.126 572 M CB -0.371 32.200 32.600 -0.049 0.000 1.359 572 M HN 0.106 nan 8.290 nan 0.000 0.471 573 T N 0.000 114.547 114.554 -0.011 0.000 3.816 573 T HA 0.000 4.350 4.350 0.000 0.000 0.228 573 T CA 0.000 62.103 62.100 0.004 0.000 1.349 573 T CB 0.000 68.874 68.868 0.010 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658