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 2qfv_1_A DATA FIRST_RESID 2 DATA SEQUENCE FSKIKVKQPV VELDGDEMTR IIWDKIKKKL ILPYLDVDLK YYDLSVESRD DATA SEQUENCE ATSDKITQDA AEAIKKYGVG IKCATITPDE ARVKEFNLHK MWKSPNGTIR DATA SEQUENCE NILGGTVFRE PIVIPRIPRL VPRWEKPIII GRHAHGDQYK ATDTLIPGPG DATA SEQUENCE SLELVYKPSD PTTAQPQTLK VYDYKGSGVA MAMYNTDESI EGFAHSSFKL DATA SEQUENCE AIDKKLNLFL STKNTILKKY DGRFKDIFQE VYEAQYKSKF EQLGIHYEHR DATA SEQUENCE LIDDMVAQMI KSKGGFIMAL KNYDGDVQSD IVAQGFGSLG LMTSILVTPD DATA SEQUENCE GKTFESEAAH GTVTRHYRKY QKGEETSTNS IASIFAWSRG LLKRGELDNT DATA SEQUENCE PALCKFANIL ESATLNTVQQ DGIMTKDLAL ACGNNERSAY VTTEEFLDAV DATA SEQUENCE EKRLQKEIKS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.784 175.800 -0.027 0.000 0.967 2 F CA 0.000 57.989 58.000 -0.017 0.000 1.383 2 F CB 0.000 39.029 39.000 0.048 0.000 1.145 3 S N 0.850 116.692 115.700 0.236 0.000 2.549 3 S HA 0.305 4.775 4.470 -0.000 0.000 0.286 3 S C -0.418 174.233 174.600 0.084 0.000 1.314 3 S CA -0.580 57.686 58.200 0.110 0.000 1.062 3 S CB 0.143 63.389 63.200 0.077 0.000 0.865 3 S HN 0.390 nan 8.310 nan 0.000 0.498 4 K N 2.001 122.416 120.400 0.025 0.000 2.164 4 K HA 0.466 4.786 4.320 -0.000 0.000 0.258 4 K C -0.605 175.967 176.600 -0.046 0.000 0.951 4 K CA -0.510 55.763 56.287 -0.023 0.000 0.844 4 K CB 1.479 33.955 32.500 -0.039 0.000 1.099 4 K HN 0.487 nan 8.250 nan 0.000 0.435 5 I N 2.780 123.294 120.570 -0.094 0.000 2.371 5 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 5 I C 0.171 176.248 176.117 -0.068 0.000 1.028 5 I CA -0.621 60.629 61.300 -0.083 0.000 1.345 5 I CB 0.826 38.752 38.000 -0.123 0.000 1.407 5 I HN 0.343 nan 8.210 nan 0.000 0.501 6 K N 6.501 126.878 120.400 -0.038 0.000 2.349 6 K HA 0.253 4.573 4.320 -0.000 0.000 0.288 6 K C -1.038 175.551 176.600 -0.018 0.000 1.058 6 K CA -0.188 56.083 56.287 -0.027 0.000 0.953 6 K CB 0.739 33.229 32.500 -0.016 0.000 0.997 6 K HN 0.372 nan 8.250 nan 0.000 0.477 7 V N 7.249 127.153 119.914 -0.015 0.000 2.334 7 V HA 0.106 4.226 4.120 -0.000 0.000 0.267 7 V C 1.545 177.641 176.094 0.003 0.000 1.040 7 V CA -0.476 61.824 62.300 -0.001 0.000 0.866 7 V CB 0.743 32.571 31.823 0.009 0.000 1.019 7 V HN 0.934 nan 8.190 nan 0.000 0.468 8 K N 3.252 123.657 120.400 0.009 0.000 2.015 8 K HA -0.198 4.122 4.320 -0.000 0.000 0.216 8 K C 1.083 177.695 176.600 0.020 0.000 1.052 8 K CA 1.638 57.934 56.287 0.015 0.000 0.937 8 K CB 0.151 32.664 32.500 0.021 0.000 0.719 8 K HN 0.605 nan 8.250 nan 0.000 0.446 9 Q N 0.368 120.185 119.800 0.028 0.000 2.222 9 Q HA 0.287 4.627 4.340 -0.000 0.000 0.252 9 Q C -2.558 173.432 176.000 -0.016 0.000 0.926 9 Q CA -2.552 53.273 55.803 0.036 0.000 0.899 9 Q CB 1.616 30.402 28.738 0.081 0.000 1.250 9 Q HN -0.013 nan 8.270 nan 0.000 0.441 10 P HA 0.017 nan 4.420 nan 0.000 0.267 10 P C -1.166 176.035 177.300 -0.165 0.000 1.200 10 P CA -0.028 62.923 63.100 -0.249 0.000 0.772 10 P CB 0.632 31.924 31.700 -0.680 0.000 0.855 11 V N 4.273 124.141 119.914 -0.076 0.000 2.459 11 V HA 0.198 4.318 4.120 -0.000 0.000 0.295 11 V C 0.097 176.209 176.094 0.030 0.000 1.029 11 V CA -0.667 61.637 62.300 0.006 0.000 0.874 11 V CB 2.039 33.900 31.823 0.063 0.000 0.985 11 V HN 0.212 nan 8.190 nan 0.000 0.438 12 V N 4.802 124.750 119.914 0.057 0.000 2.461 12 V HA 0.362 4.482 4.120 -0.000 0.000 0.275 12 V C 0.162 176.310 176.094 0.091 0.000 1.047 12 V CA -0.313 62.053 62.300 0.111 0.000 0.955 12 V CB 1.324 33.209 31.823 0.103 0.000 0.988 12 V HN 0.982 nan 8.190 nan 0.000 0.471 13 E N 5.542 125.846 120.200 0.173 0.000 2.187 13 E HA 0.564 4.914 4.350 -0.000 0.000 0.268 13 E C -1.572 175.089 176.600 0.101 0.000 0.896 13 E CA -0.741 55.772 56.400 0.189 0.000 0.766 13 E CB 1.562 31.506 29.700 0.407 0.000 1.142 13 E HN 0.655 nan 8.360 nan 0.000 0.408 14 L N 4.034 125.249 121.223 -0.013 0.000 2.318 14 L HA 0.375 4.715 4.340 -0.000 0.000 0.277 14 L C -0.208 176.457 176.870 -0.341 0.000 1.008 14 L CA -1.033 53.701 54.840 -0.176 0.000 0.846 14 L CB 1.270 43.217 42.059 -0.188 0.000 1.220 14 L HN 0.597 nan 8.230 nan 0.000 0.423 15 D N 1.889 122.066 120.400 -0.370 0.000 2.345 15 D HA 0.407 5.047 4.640 -0.000 0.000 0.247 15 D C 0.284 176.353 176.300 -0.385 0.000 1.108 15 D CA 0.295 54.063 54.000 -0.386 0.000 0.894 15 D CB 2.218 42.947 40.800 -0.119 0.000 1.203 15 D HN 0.636 nan 8.370 nan 0.000 0.430 16 G N 1.625 110.166 108.800 -0.432 0.000 3.099 16 G HA2 0.566 4.526 3.960 -0.000 0.000 0.151 16 G HA3 0.566 4.526 3.960 -0.000 0.000 0.151 16 G C -0.880 173.882 174.900 -0.230 0.000 1.265 16 G CA -0.424 44.485 45.100 -0.319 0.000 0.981 16 G HN 0.602 nan 8.290 nan 0.000 0.601 17 D N -2.438 117.833 120.400 -0.215 0.000 2.744 17 D HA 0.501 5.141 4.640 -0.000 0.000 0.304 17 D C 0.139 176.262 176.300 -0.295 0.000 1.179 17 D CA -0.535 53.333 54.000 -0.221 0.000 1.024 17 D CB 1.091 41.760 40.800 -0.219 0.000 1.453 17 D HN 0.559 nan 8.370 nan 0.000 0.529 18 E N -1.824 118.066 120.200 -0.515 0.000 3.374 18 E HA -0.377 3.973 4.350 -0.000 0.000 0.319 18 E C 0.895 177.069 176.600 -0.710 0.000 1.492 18 E CA 1.151 56.894 56.400 -1.094 0.000 1.899 18 E CB -0.869 28.461 29.700 -0.617 0.000 1.894 18 E HN 0.524 nan 8.360 nan 0.000 0.484 19 M N 0.922 120.320 119.600 -0.338 0.000 2.080 19 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 19 M C 2.425 178.707 176.300 -0.031 0.000 1.068 19 M CA 3.035 58.306 55.300 -0.048 0.000 1.109 19 M CB -0.621 32.038 32.600 0.099 0.000 1.342 19 M HN 0.645 nan 8.290 nan 0.000 0.405 20 T N -2.025 112.527 114.554 -0.004 0.000 2.788 20 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 20 T C 1.998 176.762 174.700 0.107 0.000 1.044 20 T CA 1.562 63.721 62.100 0.098 0.000 1.139 20 T CB -0.683 68.249 68.868 0.107 0.000 0.867 20 T HN 0.502 nan 8.240 nan 0.000 0.454 21 R N 0.554 121.040 120.500 -0.022 0.000 2.105 21 R HA -0.071 4.269 4.340 -0.000 0.000 0.239 21 R C 2.232 178.602 176.300 0.116 0.000 1.135 21 R CA 1.315 57.422 56.100 0.011 0.000 0.967 21 R CB -0.354 29.897 30.300 -0.081 0.000 0.861 21 R HN 0.346 nan 8.270 nan 0.000 0.442 22 I N 1.681 122.266 120.570 0.024 0.000 2.142 22 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 22 I C 2.471 178.640 176.117 0.087 0.000 1.078 22 I CA 1.413 62.711 61.300 -0.004 0.000 1.343 22 I CB -1.018 36.835 38.000 -0.245 0.000 1.046 22 I HN 0.341 nan 8.210 nan 0.000 0.405 23 I N -2.823 117.826 120.570 0.131 0.000 2.761 23 I HA -0.189 3.981 4.170 -0.000 0.000 0.261 23 I C 2.558 178.826 176.117 0.252 0.000 1.198 23 I CA 0.808 62.214 61.300 0.177 0.000 1.482 23 I CB -0.620 37.497 38.000 0.195 0.000 1.100 23 I HN 0.276 nan 8.210 nan 0.000 0.445 24 W N 3.203 124.574 121.300 0.118 0.000 2.355 24 W HA -0.239 4.421 4.660 -0.000 0.000 0.309 24 W C 2.117 178.710 176.519 0.122 0.000 1.206 24 W CA 2.006 59.461 57.345 0.183 0.000 1.284 24 W CB -0.278 29.311 29.460 0.215 0.000 1.145 24 W HN 0.361 nan 8.180 nan 0.000 0.502 25 D N 0.429 121.024 120.400 0.324 0.000 2.178 25 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 25 D C 1.816 178.139 176.300 0.038 0.000 0.980 25 D CA 1.373 55.474 54.000 0.168 0.000 0.842 25 D CB 0.106 41.009 40.800 0.171 0.000 0.948 25 D HN 0.249 nan 8.370 nan 0.000 0.472 26 K N 0.027 120.456 120.400 0.049 0.000 2.076 26 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 26 K C 2.410 178.974 176.600 -0.061 0.000 1.051 26 K CA 0.432 56.728 56.287 0.014 0.000 0.949 26 K CB 0.197 32.733 32.500 0.059 0.000 0.726 26 K HN 0.181 nan 8.250 nan 0.000 0.443 27 I N 1.716 122.225 120.570 -0.103 0.000 2.163 27 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 27 I C 2.125 177.991 176.117 -0.420 0.000 1.085 27 I CA 1.496 62.655 61.300 -0.236 0.000 1.347 27 I CB -0.241 37.574 38.000 -0.308 0.000 1.044 27 I HN 0.147 nan 8.210 nan 0.000 0.408 28 K N 1.046 121.131 120.400 -0.525 0.000 1.991 28 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 28 K C 2.138 178.545 176.600 -0.321 0.000 1.049 28 K CA 1.637 57.573 56.287 -0.585 0.000 0.932 28 K CB -0.186 32.057 32.500 -0.429 0.000 0.717 28 K HN 0.262 nan 8.250 nan 0.000 0.441 29 K N 0.888 121.174 120.400 -0.190 0.000 2.097 29 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 29 K C 1.946 178.485 176.600 -0.102 0.000 1.050 29 K CA 1.278 57.490 56.287 -0.124 0.000 0.938 29 K CB 0.047 32.504 32.500 -0.072 0.000 0.718 29 K HN 0.079 nan 8.250 nan 0.000 0.442 30 K N 0.107 120.459 120.400 -0.080 0.000 2.323 30 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 30 K C 1.569 178.189 176.600 0.033 0.000 1.043 30 K CA 0.549 56.822 56.287 -0.024 0.000 0.997 30 K CB 0.435 32.930 32.500 -0.009 0.000 0.807 30 K HN 0.060 nan 8.250 nan 0.000 0.497 31 L N -0.222 120.991 121.223 -0.015 0.000 2.840 31 L HA 0.186 4.526 4.340 -0.000 0.000 0.249 31 L C 1.343 178.330 176.870 0.196 0.000 1.119 31 L CA -0.068 54.831 54.840 0.099 0.000 0.930 31 L CB 0.284 42.318 42.059 -0.043 0.000 1.295 31 L HN 0.026 nan 8.230 nan 0.000 0.534 32 I N -0.421 120.117 120.570 -0.053 0.000 3.523 32 I HA 0.003 4.173 4.170 -0.000 0.000 0.244 32 I C 2.245 178.286 176.117 -0.127 0.000 1.110 32 I CA 0.544 61.800 61.300 -0.073 0.000 1.517 32 I CB -0.807 36.928 38.000 -0.441 0.000 1.505 32 I HN 0.059 nan 8.210 nan 0.000 0.460 33 L N 1.476 122.578 121.223 -0.202 0.000 2.137 33 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 33 L C -0.460 176.279 176.870 -0.219 0.000 1.085 33 L CA 1.738 56.471 54.840 -0.180 0.000 0.760 33 L CB -1.926 40.039 42.059 -0.158 0.000 0.893 33 L HN 0.221 nan 8.230 nan 0.000 0.434 34 P HA -0.116 nan 4.420 nan 0.000 0.225 34 P C 0.692 177.626 177.300 -0.610 0.000 1.156 34 P CA 1.295 64.108 63.100 -0.478 0.000 0.787 34 P CB 0.069 31.390 31.700 -0.632 0.000 0.802 35 Y N -2.094 118.107 120.300 -0.165 0.000 2.442 35 Y HA 0.300 4.850 4.550 -0.000 0.000 0.250 35 Y C 0.992 176.641 175.900 -0.419 0.000 1.113 35 Y CA -0.331 57.565 58.100 -0.340 0.000 1.273 35 Y CB 0.249 38.339 38.460 -0.618 0.000 1.138 35 Y HN -0.225 nan 8.280 nan 0.000 0.522 36 L N 0.256 121.331 121.223 -0.246 0.000 2.354 36 L HA 0.415 4.755 4.340 -0.000 0.000 0.269 36 L C -1.157 175.643 176.870 -0.117 0.000 1.005 36 L CA -0.974 53.742 54.840 -0.207 0.000 0.819 36 L CB 1.918 43.849 42.059 -0.214 0.000 1.311 36 L HN -0.160 nan 8.230 nan 0.000 0.423 37 D N 2.109 122.459 120.400 -0.083 0.000 2.493 37 D HA 0.382 5.022 4.640 -0.000 0.000 0.235 37 D C -1.171 175.107 176.300 -0.036 0.000 1.117 37 D CA -0.098 53.870 54.000 -0.054 0.000 0.930 37 D CB 1.241 42.015 40.800 -0.043 0.000 1.010 37 D HN 0.201 nan 8.370 nan 0.000 0.514 38 V N 2.571 122.471 119.914 -0.024 0.000 2.769 38 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 38 V C -1.214 174.883 176.094 0.006 0.000 1.061 38 V CA -0.890 61.410 62.300 0.001 0.000 0.931 38 V CB 2.208 34.053 31.823 0.037 0.000 1.010 38 V HN 0.419 nan 8.190 nan 0.000 0.433 39 D N 4.980 125.378 120.400 -0.003 0.000 2.373 39 D HA 0.370 5.010 4.640 -0.000 0.000 0.227 39 D C -0.666 175.632 176.300 -0.003 0.000 1.091 39 D CA -0.034 53.958 54.000 -0.014 0.000 0.840 39 D CB 0.651 41.423 40.800 -0.045 0.000 1.060 39 D HN 0.528 nan 8.370 nan 0.000 0.502 40 L N 4.294 125.545 121.223 0.046 0.000 2.257 40 L HA 0.354 4.694 4.340 -0.000 0.000 0.290 40 L C 0.484 177.417 176.870 0.105 0.000 1.044 40 L CA -0.907 53.998 54.840 0.107 0.000 0.810 40 L CB 1.004 43.184 42.059 0.202 0.000 1.193 40 L HN 0.082 nan 8.230 nan 0.000 0.425 41 K N 3.965 124.421 120.400 0.093 0.000 2.250 41 K HA 0.151 4.471 4.320 -0.000 0.000 0.285 41 K C -0.737 175.999 176.600 0.226 0.000 1.097 41 K CA -0.298 56.064 56.287 0.125 0.000 0.913 41 K CB 0.379 32.988 32.500 0.183 0.000 1.179 41 K HN 0.321 nan 8.250 nan 0.000 0.462 42 Y N 2.953 123.241 120.300 -0.020 0.000 2.336 42 Y HA 0.136 4.686 4.550 -0.000 0.000 0.335 42 Y C -1.014 174.759 175.900 -0.212 0.000 1.046 42 Y CA -0.322 57.778 58.100 -0.000 0.000 1.198 42 Y CB 0.485 38.949 38.460 0.006 0.000 1.182 42 Y HN 0.393 nan 8.280 nan 0.000 0.502 43 Y N 4.765 124.759 120.300 -0.510 0.000 2.329 43 Y HA 0.184 4.733 4.550 -0.000 0.000 0.328 43 Y C -0.422 175.066 175.900 -0.686 0.000 0.992 43 Y CA -1.301 56.543 58.100 -0.428 0.000 1.151 43 Y CB 1.107 39.432 38.460 -0.224 0.000 1.150 43 Y HN 0.556 nan 8.280 nan 0.000 0.450 44 D N 4.708 124.816 120.400 -0.487 0.000 2.336 44 D HA 0.165 4.805 4.640 -0.000 0.000 0.249 44 D C 0.078 176.250 176.300 -0.213 0.000 1.213 44 D CA 0.234 54.014 54.000 -0.368 0.000 0.870 44 D CB 0.943 41.678 40.800 -0.108 0.000 1.076 44 D HN 0.679 nan 8.370 nan 0.000 0.483 45 L N 3.264 124.349 121.223 -0.230 0.000 2.872 45 L HA 0.061 4.401 4.340 -0.000 0.000 0.245 45 L C 1.119 177.867 176.870 -0.204 0.000 1.211 45 L CA -0.278 54.439 54.840 -0.205 0.000 1.013 45 L CB -0.224 41.710 42.059 -0.209 0.000 1.326 45 L HN 0.275 nan 8.230 nan 0.000 0.525 46 S N -0.897 114.692 115.700 -0.186 0.000 2.576 46 S HA 0.102 4.572 4.470 -0.000 0.000 0.272 46 S C 1.522 175.989 174.600 -0.222 0.000 1.352 46 S CA -0.686 57.399 58.200 -0.192 0.000 1.021 46 S CB 1.563 64.677 63.200 -0.143 0.000 0.887 46 S HN 0.032 nan 8.310 nan 0.000 0.542 47 V N 1.471 121.211 119.914 -0.291 0.000 2.343 47 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 47 V C 2.538 178.479 176.094 -0.256 0.000 1.051 47 V CA 2.232 64.346 62.300 -0.310 0.000 1.036 47 V CB -1.611 29.893 31.823 -0.532 0.000 0.654 47 V HN 0.868 nan 8.190 nan 0.000 0.451 48 E N 0.771 120.812 120.200 -0.265 0.000 2.058 48 E HA -0.204 4.145 4.350 -0.000 0.000 0.194 48 E C 2.467 179.012 176.600 -0.092 0.000 0.997 48 E CA 1.728 58.056 56.400 -0.119 0.000 0.801 48 E CB -0.538 29.131 29.700 -0.052 0.000 0.746 48 E HN 0.543 nan 8.360 nan 0.000 0.450 49 S N -0.240 115.391 115.700 -0.115 0.000 2.383 49 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 49 S C 1.912 176.405 174.600 -0.178 0.000 1.026 49 S CA 1.057 59.189 58.200 -0.112 0.000 0.981 49 S CB -0.006 63.133 63.200 -0.102 0.000 0.818 49 S HN 0.112 nan 8.310 nan 0.000 0.472 50 R N 0.276 120.628 120.500 -0.246 0.000 2.066 50 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 50 R C 2.151 178.117 176.300 -0.557 0.000 1.131 50 R CA 1.697 57.550 56.100 -0.412 0.000 0.955 50 R CB -0.541 29.490 30.300 -0.449 0.000 0.851 50 R HN 0.485 nan 8.270 nan 0.000 0.432 51 D N 0.142 120.354 120.400 -0.312 0.000 2.182 51 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 51 D C 1.691 177.950 176.300 -0.068 0.000 0.986 51 D CA 1.341 55.338 54.000 -0.005 0.000 0.847 51 D CB 0.114 41.095 40.800 0.302 0.000 0.942 51 D HN 0.279 nan 8.370 nan 0.000 0.467 52 A N -0.327 122.429 122.820 -0.107 0.000 1.841 52 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 52 A C 2.326 179.827 177.584 -0.138 0.000 1.195 52 A CA 2.349 54.330 52.037 -0.093 0.000 0.611 52 A CB -1.374 17.591 19.000 -0.057 0.000 0.835 52 A HN 0.408 nan 8.150 nan 0.000 0.443 53 T N -2.940 111.509 114.554 -0.176 0.000 3.163 53 T HA 0.145 4.495 4.350 -0.000 0.000 0.260 53 T C 0.633 175.194 174.700 -0.231 0.000 1.156 53 T CA 1.002 63.001 62.100 -0.169 0.000 1.072 53 T CB -0.595 68.179 68.868 -0.156 0.000 0.937 53 T HN 0.820 nan 8.240 nan 0.000 0.528 54 S N 1.062 116.563 115.700 -0.332 0.000 3.586 54 S HA -0.176 4.294 4.470 -0.000 0.000 0.309 54 S C 0.513 174.657 174.600 -0.760 0.000 1.195 54 S CA 0.795 58.758 58.200 -0.394 0.000 0.895 54 S CB -2.122 61.044 63.200 -0.055 0.000 0.983 54 S HN 0.858 nan 8.310 nan 0.000 0.563 55 D N -0.598 119.252 120.400 -0.916 0.000 3.070 55 D HA -0.179 4.461 4.640 -0.000 0.000 0.210 55 D C 0.746 176.839 176.300 -0.346 0.000 1.103 55 D CA 1.863 55.425 54.000 -0.731 0.000 0.980 55 D CB -1.040 39.294 40.800 -0.777 0.000 1.100 55 D HN 0.735 nan 8.370 nan 0.000 0.423 56 K N 0.205 120.450 120.400 -0.259 0.000 2.103 56 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 56 K C 2.265 178.802 176.600 -0.104 0.000 1.052 56 K CA 1.513 57.717 56.287 -0.139 0.000 0.945 56 K CB -0.095 32.349 32.500 -0.095 0.000 0.722 56 K HN 0.367 nan 8.250 nan 0.000 0.443 57 I N 0.165 120.671 120.570 -0.107 0.000 2.335 57 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 57 I C 1.920 177.994 176.117 -0.072 0.000 1.129 57 I CA 1.425 62.710 61.300 -0.026 0.000 1.402 57 I CB -1.354 36.636 38.000 -0.017 0.000 1.069 57 I HN -0.035 nan 8.210 nan 0.000 0.424 58 T N 0.527 114.996 114.554 -0.141 0.000 2.652 58 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 58 T C 1.909 176.519 174.700 -0.150 0.000 1.039 58 T CA 2.101 64.109 62.100 -0.154 0.000 1.153 58 T CB -0.389 68.383 68.868 -0.160 0.000 0.863 58 T HN 0.502 nan 8.240 nan 0.000 0.428 59 Q N 0.471 120.198 119.800 -0.122 0.000 2.096 59 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 59 Q C 2.199 178.122 176.000 -0.128 0.000 0.982 59 Q CA 1.549 57.289 55.803 -0.105 0.000 0.850 59 Q CB -0.207 28.487 28.738 -0.073 0.000 0.901 59 Q HN 0.461 nan 8.270 nan 0.000 0.422 60 D N 0.211 120.544 120.400 -0.112 0.000 2.144 60 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 60 D C 1.648 177.704 176.300 -0.407 0.000 0.984 60 D CA 1.315 55.248 54.000 -0.112 0.000 0.834 60 D CB -0.200 40.651 40.800 0.084 0.000 0.955 60 D HN 0.297 nan 8.370 nan 0.000 0.465 61 A N 0.744 123.231 122.820 -0.555 0.000 1.898 61 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 61 A C 2.278 179.579 177.584 -0.471 0.000 1.181 61 A CA 1.902 53.413 52.037 -0.877 0.000 0.620 61 A CB -0.709 17.970 19.000 -0.535 0.000 0.819 61 A HN 0.224 nan 8.150 nan 0.000 0.442 62 A N -0.399 122.252 122.820 -0.283 0.000 1.877 62 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 62 A C 1.932 179.421 177.584 -0.158 0.000 1.186 62 A CA 2.035 53.964 52.037 -0.180 0.000 0.620 62 A CB -0.506 18.416 19.000 -0.130 0.000 0.822 62 A HN 0.419 nan 8.150 nan 0.000 0.443 63 E N 0.028 120.131 120.200 -0.162 0.000 2.085 63 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 63 E C 2.213 178.736 176.600 -0.129 0.000 0.994 63 E CA 1.420 57.746 56.400 -0.124 0.000 0.801 63 E CB -0.541 29.099 29.700 -0.100 0.000 0.743 63 E HN 0.538 nan 8.360 nan 0.000 0.453 64 A N 0.352 123.067 122.820 -0.176 0.000 1.902 64 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 64 A C 2.311 179.907 177.584 0.020 0.000 1.181 64 A CA 1.471 53.469 52.037 -0.064 0.000 0.623 64 A CB -0.690 18.206 19.000 -0.173 0.000 0.818 64 A HN 0.272 nan 8.150 nan 0.000 0.443 65 I N -0.550 119.990 120.570 -0.050 0.000 2.286 65 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 65 I C 2.546 178.665 176.117 0.002 0.000 1.115 65 I CA 1.815 63.120 61.300 0.008 0.000 1.392 65 I CB -0.252 37.727 38.000 -0.036 0.000 1.065 65 I HN 0.384 nan 8.210 nan 0.000 0.418 66 K N 1.600 121.969 120.400 -0.051 0.000 2.097 66 K HA -0.243 4.077 4.320 -0.000 0.000 0.205 66 K C 2.228 178.779 176.600 -0.081 0.000 1.050 66 K CA 1.501 57.751 56.287 -0.061 0.000 0.938 66 K CB -0.005 32.450 32.500 -0.076 0.000 0.718 66 K HN 0.166 nan 8.250 nan 0.000 0.442 67 K N -0.484 119.830 120.400 -0.143 0.000 2.025 67 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 67 K C 1.514 177.918 176.600 -0.326 0.000 1.049 67 K CA 1.522 57.634 56.287 -0.293 0.000 0.933 67 K CB -0.077 32.130 32.500 -0.490 0.000 0.714 67 K HN 0.219 nan 8.250 nan 0.000 0.438 68 Y N -0.262 120.051 120.300 0.021 0.000 2.509 68 Y HA 0.240 4.790 4.550 -0.000 0.000 0.270 68 Y C 0.664 176.593 175.900 0.049 0.000 1.103 68 Y CA 0.116 58.239 58.100 0.038 0.000 1.278 68 Y CB 1.005 39.494 38.460 0.049 0.000 1.087 68 Y HN 0.273 nan 8.280 nan 0.000 0.542 69 G N 0.868 109.771 108.800 0.171 0.000 3.285 69 G HA2 0.001 3.961 3.960 -0.000 0.000 0.685 69 G HA3 0.001 3.961 3.960 -0.000 0.000 0.685 69 G C -0.747 174.269 174.900 0.194 0.000 0.938 69 G CA -0.542 44.658 45.100 0.166 0.000 0.778 69 G HN 0.631 nan 8.290 nan 0.000 0.515 70 V N 0.233 120.267 119.914 0.200 0.000 3.208 70 V HA 0.292 4.412 4.120 -0.000 0.000 0.459 70 V C 0.914 177.064 176.094 0.093 0.000 0.682 70 V CA 0.925 63.323 62.300 0.164 0.000 1.994 70 V CB -1.015 30.876 31.823 0.115 0.000 2.461 70 V HN 2.552 nan 8.190 nan 0.000 0.495 71 G N 4.722 113.558 108.800 0.061 0.000 2.481 71 G HA2 0.863 4.823 3.960 -0.000 0.000 0.315 71 G HA3 0.863 4.823 3.960 -0.000 0.000 0.315 71 G C -0.973 173.904 174.900 -0.038 0.000 1.231 71 G CA -0.943 44.161 45.100 0.006 0.000 0.968 71 G HN 0.822 nan 8.290 nan 0.000 0.482 72 I N 1.265 121.779 120.570 -0.094 0.000 2.439 72 I HA 0.353 4.522 4.170 -0.000 0.000 0.283 72 I C -0.190 175.908 176.117 -0.032 0.000 1.023 72 I CA -0.636 60.565 61.300 -0.165 0.000 1.100 72 I CB 2.026 39.693 38.000 -0.555 0.000 1.238 72 I HN 0.300 nan 8.210 nan 0.000 0.445 73 K N 5.454 125.829 120.400 -0.042 0.000 2.207 73 K HA 0.541 4.861 4.320 -0.000 0.000 0.255 73 K C -1.062 175.258 176.600 -0.467 0.000 0.941 73 K CA -0.447 55.708 56.287 -0.220 0.000 0.825 73 K CB 2.284 34.675 32.500 -0.182 0.000 1.119 73 K HN 0.696 nan 8.250 nan 0.000 0.430 74 C N 3.197 121.925 119.300 -0.953 0.000 2.370 74 C HA 0.690 5.150 4.460 -0.000 0.000 0.354 74 C C 0.496 175.211 174.990 -0.458 0.000 1.218 74 C CA -0.530 57.871 59.018 -1.029 0.000 2.154 74 C CB 0.047 26.860 27.740 -1.546 0.000 2.391 74 C HN 0.924 nan 8.230 nan 0.000 0.540 75 A N 4.191 126.854 122.820 -0.262 0.000 2.561 75 A HA 0.498 4.818 4.320 -0.000 0.000 0.234 75 A C 0.576 178.053 177.584 -0.178 0.000 1.055 75 A CA 0.840 52.779 52.037 -0.162 0.000 0.756 75 A CB -0.108 18.860 19.000 -0.053 0.000 0.986 75 A HN 1.225 nan 8.150 nan 0.000 0.505 76 T N -0.197 114.272 114.554 -0.143 0.000 2.916 76 T HA 0.660 5.010 4.350 -0.000 0.000 0.292 76 T C -0.214 174.434 174.700 -0.087 0.000 1.055 76 T CA -0.635 61.382 62.100 -0.139 0.000 1.009 76 T CB 0.935 69.713 68.868 -0.150 0.000 1.118 76 T HN 0.426 nan 8.240 nan 0.000 0.497 77 I N 1.778 122.298 120.570 -0.083 0.000 2.416 77 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 77 I C 0.374 176.487 176.117 -0.006 0.000 1.051 77 I CA -0.312 60.970 61.300 -0.030 0.000 1.375 77 I CB 1.067 39.053 38.000 -0.023 0.000 1.407 77 I HN 0.674 nan 8.210 nan 0.000 0.516 78 T N 8.198 122.765 114.554 0.021 0.000 2.891 78 T HA 0.226 4.576 4.350 -0.000 0.000 0.315 78 T C -2.136 172.605 174.700 0.069 0.000 1.054 78 T CA -1.155 60.969 62.100 0.041 0.000 0.958 78 T CB 0.147 69.034 68.868 0.031 0.000 1.008 78 T HN 0.420 nan 8.240 nan 0.000 0.521 79 P HA 0.064 nan 4.420 nan 0.000 0.264 79 P C -0.677 176.671 177.300 0.079 0.000 1.179 79 P CA 0.160 63.329 63.100 0.115 0.000 0.763 79 P CB 0.827 32.623 31.700 0.161 0.000 0.806 80 D N 0.542 120.986 120.400 0.073 0.000 2.961 80 D HA 0.219 4.859 4.640 -0.000 0.000 0.257 80 D C 1.019 177.341 176.300 0.037 0.000 1.211 80 D CA -0.392 53.636 54.000 0.046 0.000 1.066 80 D CB -0.186 40.642 40.800 0.047 0.000 1.291 80 D HN 0.189 nan 8.370 nan 0.000 0.629 81 E N -0.080 120.136 120.200 0.026 0.000 2.006 81 E HA 0.010 4.360 4.350 -0.000 0.000 0.192 81 E C 2.069 178.686 176.600 0.028 0.000 0.993 81 E CA 1.937 58.346 56.400 0.016 0.000 0.808 81 E CB -0.808 28.897 29.700 0.008 0.000 0.764 81 E HN 0.470 nan 8.360 nan 0.000 0.449 82 A N 0.787 123.627 122.820 0.034 0.000 2.024 82 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 82 A C 2.043 179.663 177.584 0.059 0.000 1.164 82 A CA 1.399 53.457 52.037 0.035 0.000 0.643 82 A CB -0.476 18.543 19.000 0.031 0.000 0.806 82 A HN 0.064 nan 8.150 nan 0.000 0.451 83 R N -0.581 119.979 120.500 0.101 0.000 2.073 83 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 83 R C 2.090 178.518 176.300 0.214 0.000 1.120 83 R CA 1.336 57.553 56.100 0.195 0.000 0.967 83 R CB -1.262 29.164 30.300 0.211 0.000 0.862 83 R HN 0.429 nan 8.270 nan 0.000 0.436 84 V N 1.533 121.522 119.914 0.124 0.000 2.392 84 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 84 V C 2.465 178.613 176.094 0.089 0.000 1.059 84 V CA 1.816 64.172 62.300 0.095 0.000 1.051 84 V CB -0.420 31.412 31.823 0.015 0.000 0.658 84 V HN 0.309 nan 8.190 nan 0.000 0.455 85 K N -0.215 120.218 120.400 0.055 0.000 2.186 85 K HA -0.118 4.202 4.320 -0.000 0.000 0.202 85 K C 2.231 178.831 176.600 -0.000 0.000 1.052 85 K CA 0.953 57.254 56.287 0.024 0.000 0.965 85 K CB -0.004 32.498 32.500 0.003 0.000 0.746 85 K HN 0.525 nan 8.250 nan 0.000 0.457 86 E N -0.479 119.705 120.200 -0.028 0.000 2.110 86 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 86 E C 0.717 177.102 176.600 -0.359 0.000 0.988 86 E CA 1.269 57.539 56.400 -0.216 0.000 0.804 86 E CB 0.081 29.602 29.700 -0.299 0.000 0.745 86 E HN 0.328 nan 8.360 nan 0.000 0.458 87 F N -0.411 119.584 119.950 0.075 0.000 2.682 87 F HA 0.225 4.752 4.527 0.000 0.000 0.308 87 F C 0.253 176.108 175.800 0.093 0.000 1.093 87 F CA -0.097 57.957 58.000 0.089 0.000 1.244 87 F CB 0.358 39.421 39.000 0.106 0.000 1.052 87 F HN -0.094 nan 8.300 nan 0.000 0.573 88 N N 1.852 120.676 118.700 0.207 0.000 2.663 88 N HA -0.195 4.545 4.740 -0.000 0.000 0.263 88 N C -1.076 174.558 175.510 0.206 0.000 1.109 88 N CA 0.165 53.306 53.050 0.150 0.000 0.701 88 N CB -1.122 37.438 38.487 0.122 0.000 0.879 88 N HN 0.277 nan 8.380 nan 0.000 0.550 89 L N 0.944 122.288 121.223 0.201 0.000 2.399 89 L HA 0.337 4.677 4.340 -0.000 0.000 0.265 89 L C 1.630 178.587 176.870 0.146 0.000 1.089 89 L CA -0.959 54.028 54.840 0.246 0.000 0.802 89 L CB 0.589 42.768 42.059 0.199 0.000 1.180 89 L HN 0.305 nan 8.230 nan 0.000 0.454 90 H N 0.042 119.122 119.070 0.016 0.000 2.524 90 H HA 0.132 4.688 4.556 0.000 0.000 0.282 90 H C -0.344 174.789 175.328 -0.324 0.000 1.016 90 H CA 0.700 56.693 56.048 -0.092 0.000 1.270 90 H CB 0.131 29.911 29.762 0.029 0.000 1.394 90 H HN 0.293 nan 8.280 nan 0.000 0.568 91 K N -1.496 118.625 120.400 -0.464 0.000 2.991 91 K HA 0.056 4.376 4.320 -0.000 0.000 0.309 91 K C -1.169 175.004 176.600 -0.712 0.000 1.122 91 K CA -0.316 55.645 56.287 -0.545 0.000 0.879 91 K CB 0.453 32.638 32.500 -0.524 0.000 1.418 91 K HN 0.047 nan 8.250 nan 0.000 0.369 92 M N 3.570 122.955 119.600 -0.358 0.000 3.183 92 M HA 0.091 4.571 4.480 -0.000 0.000 0.266 92 M C -0.868 175.338 176.300 -0.156 0.000 1.649 92 M CA 0.304 55.488 55.300 -0.193 0.000 1.654 92 M CB -0.175 32.374 32.600 -0.086 0.000 1.479 92 M HN 0.367 nan 8.290 nan 0.000 0.499 93 W N 4.497 125.810 121.300 0.022 0.000 2.187 93 W HA 0.080 4.740 4.660 0.000 0.000 0.348 93 W C 0.574 177.093 176.519 0.000 0.000 1.282 93 W CA -0.521 56.828 57.345 0.007 0.000 1.271 93 W CB 0.218 29.673 29.460 -0.008 0.000 1.170 93 W HN 0.394 nan 8.180 nan 0.000 0.583 94 K N 1.367 121.929 120.400 0.270 0.000 2.258 94 K HA 0.145 4.465 4.320 -0.000 0.000 0.264 94 K C 0.370 177.033 176.600 0.105 0.000 1.007 94 K CA -0.597 55.774 56.287 0.140 0.000 0.941 94 K CB 0.850 33.415 32.500 0.108 0.000 0.966 94 K HN 0.357 nan 8.250 nan 0.000 0.480 95 S N 2.860 118.597 115.700 0.060 0.000 2.544 95 S HA 0.020 4.490 4.470 -0.000 0.000 0.290 95 S C -1.222 173.375 174.600 -0.004 0.000 1.276 95 S CA -1.339 56.876 58.200 0.025 0.000 1.075 95 S CB 0.382 63.588 63.200 0.010 0.000 0.849 95 S HN 0.422 nan 8.310 nan 0.000 0.494 96 P HA -0.119 nan 4.420 nan 0.000 0.220 96 P C 0.833 178.092 177.300 -0.069 0.000 1.148 96 P CA 1.009 64.070 63.100 -0.065 0.000 0.803 96 P CB -0.007 31.633 31.700 -0.100 0.000 0.782 97 N N 0.407 119.069 118.700 -0.063 0.000 2.120 97 N HA -0.106 4.634 4.740 -0.000 0.000 0.188 97 N C 2.187 177.663 175.510 -0.057 0.000 1.024 97 N CA 1.775 54.785 53.050 -0.066 0.000 0.852 97 N CB -1.048 37.401 38.487 -0.064 0.000 1.003 97 N HN 0.236 nan 8.380 nan 0.000 0.424 98 G N 0.675 109.449 108.800 -0.043 0.000 2.402 98 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 98 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 98 G C 1.609 176.490 174.900 -0.031 0.000 1.162 98 G CA 1.190 46.268 45.100 -0.037 0.000 0.777 98 G HN 0.244 nan 8.290 nan 0.000 0.539 99 T N 1.474 116.012 114.554 -0.028 0.000 2.746 99 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 99 T C 2.377 177.049 174.700 -0.046 0.000 1.039 99 T CA 1.072 63.155 62.100 -0.029 0.000 1.142 99 T CB -0.144 68.705 68.868 -0.032 0.000 0.866 99 T HN 0.246 nan 8.240 nan 0.000 0.444 100 I N 0.693 121.226 120.570 -0.062 0.000 2.286 100 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 100 I C 2.801 178.882 176.117 -0.060 0.000 1.104 100 I CA 1.129 62.385 61.300 -0.073 0.000 1.397 100 I CB -0.398 37.549 38.000 -0.089 0.000 1.072 100 I HN 0.140 nan 8.210 nan 0.000 0.417 101 R N 1.763 122.230 120.500 -0.055 0.000 2.083 101 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 101 R C 1.849 178.126 176.300 -0.039 0.000 1.137 101 R CA 2.431 58.502 56.100 -0.049 0.000 0.951 101 R CB -0.427 29.839 30.300 -0.057 0.000 0.851 101 R HN 0.450 nan 8.270 nan 0.000 0.434 102 N N -0.116 118.566 118.700 -0.031 0.000 2.244 102 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 102 N C 1.804 177.302 175.510 -0.020 0.000 1.016 102 N CA 1.177 54.218 53.050 -0.015 0.000 0.866 102 N CB -0.028 38.460 38.487 0.002 0.000 0.980 102 N HN 0.257 nan 8.380 nan 0.000 0.430 103 I N 0.822 121.373 120.570 -0.032 0.000 2.286 103 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 103 I C 1.699 177.789 176.117 -0.045 0.000 1.104 103 I CA 1.054 62.331 61.300 -0.039 0.000 1.397 103 I CB -0.038 37.930 38.000 -0.053 0.000 1.072 103 I HN 0.146 nan 8.210 nan 0.000 0.417 104 L N -0.019 121.174 121.223 -0.050 0.000 2.418 104 L HA 0.173 4.513 4.340 -0.000 0.000 0.218 104 L C 1.436 178.277 176.870 -0.049 0.000 1.125 104 L CA 0.451 55.258 54.840 -0.055 0.000 0.835 104 L CB -0.775 41.249 42.059 -0.060 0.000 0.953 104 L HN 0.478 nan 8.230 nan 0.000 0.454 105 G N 0.000 108.779 108.800 -0.036 0.000 2.512 105 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.254 105 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.254 105 G C 0.415 175.304 174.900 -0.018 0.000 1.199 105 G CA -0.292 44.793 45.100 -0.025 0.000 0.941 105 G HN 0.872 nan 8.290 nan 0.000 0.569 106 G N -2.613 106.188 108.800 0.000 0.000 2.955 106 G HA2 0.357 4.317 3.960 -0.000 0.000 0.604 106 G HA3 0.357 4.317 3.960 -0.000 0.000 0.604 106 G C 0.009 174.934 174.900 0.042 0.000 1.572 106 G CA 0.805 45.919 45.100 0.024 0.000 1.016 106 G HN 2.071 nan 8.290 nan 0.000 0.569 107 T N -0.208 114.399 114.554 0.089 0.000 2.932 107 T HA 0.630 4.980 4.350 -0.000 0.000 0.289 107 T C 0.225 174.885 174.700 -0.067 0.000 1.039 107 T CA -0.437 61.662 62.100 -0.002 0.000 1.024 107 T CB 2.054 70.939 68.868 0.030 0.000 1.090 107 T HN 0.902 nan 8.240 nan 0.000 0.496 108 V N 2.360 122.142 119.914 -0.220 0.000 2.427 108 V HA 0.530 4.650 4.120 -0.000 0.000 0.286 108 V C -1.026 174.857 176.094 -0.353 0.000 1.034 108 V CA -0.629 61.581 62.300 -0.150 0.000 0.893 108 V CB 0.597 32.351 31.823 -0.115 0.000 0.982 108 V HN 0.736 nan 8.190 nan 0.000 0.452 109 F N 3.956 123.926 119.950 0.034 0.000 2.493 109 F HA 0.596 5.123 4.527 -0.000 0.000 0.329 109 F C 0.576 176.369 175.800 -0.012 0.000 1.126 109 F CA -0.752 57.263 58.000 0.025 0.000 0.937 109 F CB 1.656 40.678 39.000 0.037 0.000 1.146 109 F HN 0.296 nan 8.300 nan 0.000 0.442 110 R N 2.481 123.037 120.500 0.092 0.000 2.265 110 R HA 0.403 4.743 4.340 -0.000 0.000 0.319 110 R C -0.754 175.520 176.300 -0.044 0.000 1.006 110 R CA -0.619 55.483 56.100 0.003 0.000 0.880 110 R CB 1.985 32.258 30.300 -0.045 0.000 1.077 110 R HN 0.683 nan 8.270 nan 0.000 0.454 111 E N 4.777 124.926 120.200 -0.084 0.000 2.241 111 E HA 0.332 4.682 4.350 -0.000 0.000 0.263 111 E C -2.507 173.941 176.600 -0.253 0.000 0.882 111 E CA -2.262 54.035 56.400 -0.172 0.000 0.769 111 E CB 2.454 32.095 29.700 -0.099 0.000 1.185 111 E HN 0.264 nan 8.360 nan 0.000 0.415 112 P HA 0.212 nan 4.420 nan 0.000 0.278 112 P C -0.392 176.694 177.300 -0.357 0.000 1.238 112 P CA -0.472 62.338 63.100 -0.484 0.000 0.794 112 P CB 1.063 32.146 31.700 -1.029 0.000 0.955 113 I N 2.935 123.341 120.570 -0.274 0.000 2.365 113 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 113 I C 0.466 176.519 176.117 -0.107 0.000 1.004 113 I CA -0.803 60.349 61.300 -0.246 0.000 1.311 113 I CB 1.224 38.947 38.000 -0.462 0.000 1.401 113 I HN 0.072 nan 8.210 nan 0.000 0.491 114 V N 7.668 127.566 119.914 -0.026 0.000 2.394 114 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 114 V C 0.225 176.352 176.094 0.054 0.000 1.031 114 V CA -0.482 61.860 62.300 0.070 0.000 0.881 114 V CB 1.922 33.822 31.823 0.128 0.000 0.982 114 V HN 0.431 nan 8.190 nan 0.000 0.451 115 I N 7.017 127.624 120.570 0.062 0.000 2.420 115 I HA 0.294 4.464 4.170 -0.000 0.000 0.282 115 I C -1.640 174.515 176.117 0.063 0.000 1.019 115 I CA -1.830 59.505 61.300 0.058 0.000 1.130 115 I CB 2.175 40.205 38.000 0.051 0.000 1.262 115 I HN 0.420 nan 8.210 nan 0.000 0.454 116 P HA -0.242 nan 4.420 nan 0.000 0.219 116 P C 1.592 178.920 177.300 0.047 0.000 1.158 116 P CA 1.524 64.656 63.100 0.054 0.000 0.895 116 P CB 0.082 31.811 31.700 0.048 0.000 0.792 117 R N -0.885 119.642 120.500 0.046 0.000 2.200 117 R HA -0.082 4.257 4.340 -0.000 0.000 0.234 117 R C 0.271 176.595 176.300 0.040 0.000 1.127 117 R CA 0.785 56.910 56.100 0.042 0.000 0.989 117 R CB -0.275 30.053 30.300 0.047 0.000 0.869 117 R HN 0.130 nan 8.270 nan 0.000 0.459 118 I N 2.519 123.115 120.570 0.044 0.000 2.307 118 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 118 I C -2.282 173.859 176.117 0.040 0.000 1.021 118 I CA -3.264 58.060 61.300 0.040 0.000 1.224 118 I CB 0.827 38.852 38.000 0.041 0.000 1.376 118 I HN -0.193 nan 8.210 nan 0.000 0.470 119 P HA 0.251 nan 4.420 nan 0.000 0.269 119 P C -0.390 176.915 177.300 0.009 0.000 1.209 119 P CA -0.303 62.803 63.100 0.011 0.000 0.776 119 P CB 0.659 32.357 31.700 -0.003 0.000 0.876 120 R N 1.297 121.789 120.500 -0.014 0.000 2.598 120 R HA 0.375 4.714 4.340 -0.000 0.000 0.279 120 R C 1.300 177.533 176.300 -0.112 0.000 0.984 120 R CA -0.633 55.444 56.100 -0.038 0.000 0.999 120 R CB 0.013 30.270 30.300 -0.071 0.000 1.114 120 R HN 0.409 nan 8.270 nan 0.000 0.493 121 L N 0.698 121.847 121.223 -0.123 0.000 2.127 121 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 121 L C 0.293 176.989 176.870 -0.289 0.000 1.089 121 L CA 1.059 55.801 54.840 -0.163 0.000 0.757 121 L CB 0.025 42.006 42.059 -0.130 0.000 0.899 121 L HN 0.248 nan 8.230 nan 0.000 0.434 122 V N 1.586 121.211 119.914 -0.481 0.000 2.217 122 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 122 V C -1.045 174.743 176.094 -0.510 0.000 1.107 122 V CA -0.942 60.920 62.300 -0.731 0.000 0.913 122 V CB 0.678 31.501 31.823 -1.666 0.000 1.153 122 V HN 0.075 nan 8.190 nan 0.000 0.469 123 P HA -0.261 nan 4.420 nan 0.000 0.217 123 P C 1.506 178.742 177.300 -0.106 0.000 1.148 123 P CA 1.320 64.329 63.100 -0.153 0.000 0.834 123 P CB 0.420 32.052 31.700 -0.114 0.000 0.783 124 R N -1.202 119.211 120.500 -0.146 0.000 2.148 124 R HA -0.088 4.252 4.340 -0.000 0.000 0.227 124 R C 0.420 176.784 176.300 0.107 0.000 1.103 124 R CA 0.391 56.470 56.100 -0.035 0.000 0.983 124 R CB -0.258 30.011 30.300 -0.052 0.000 0.874 124 R HN 0.103 nan 8.270 nan 0.000 0.451 125 W N 2.730 123.935 121.300 -0.158 0.000 2.655 125 W HA 0.036 4.696 4.660 0.000 0.000 0.333 125 W C 0.625 177.077 176.519 -0.112 0.000 1.382 125 W CA -0.402 56.817 57.345 -0.210 0.000 1.398 125 W CB -0.041 29.074 29.460 -0.575 0.000 1.481 125 W HN 0.325 nan 8.180 nan 0.000 0.526 126 E N 1.084 121.391 120.200 0.179 0.000 2.490 126 E HA 0.145 4.495 4.350 -0.000 0.000 0.209 126 E C 0.029 176.714 176.600 0.142 0.000 0.971 126 E CA 0.083 56.567 56.400 0.140 0.000 0.988 126 E CB 0.539 30.300 29.700 0.102 0.000 1.029 126 E HN 0.184 nan 8.360 nan 0.000 0.496 127 K N 1.485 121.968 120.400 0.139 0.000 2.375 127 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 127 K C -2.842 173.813 176.600 0.091 0.000 0.942 127 K CA -2.774 53.568 56.287 0.091 0.000 0.806 127 K CB 2.038 34.568 32.500 0.050 0.000 1.227 127 K HN -0.175 nan 8.250 nan 0.000 0.430 128 P HA 0.056 nan 4.420 nan 0.000 0.266 128 P C -0.790 176.305 177.300 -0.341 0.000 1.195 128 P CA 0.241 63.203 63.100 -0.231 0.000 0.768 128 P CB 0.405 31.955 31.700 -0.249 0.000 0.838 129 I N 4.171 124.455 120.570 -0.477 0.000 2.354 129 I HA 0.317 4.487 4.170 -0.000 0.000 0.286 129 I C 0.200 176.069 176.117 -0.414 0.000 1.007 129 I CA -0.560 60.377 61.300 -0.606 0.000 1.167 129 I CB 0.750 38.343 38.000 -0.678 0.000 1.320 129 I HN 0.140 nan 8.210 nan 0.000 0.458 130 I N 7.019 127.428 120.570 -0.269 0.000 2.396 130 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 130 I C -0.161 175.971 176.117 0.025 0.000 0.999 130 I CA -0.394 60.847 61.300 -0.099 0.000 1.310 130 I CB 1.364 39.351 38.000 -0.021 0.000 1.404 130 I HN 0.391 nan 8.210 nan 0.000 0.496 131 I N 4.763 125.365 120.570 0.053 0.000 2.389 131 I HA 0.404 4.574 4.170 -0.000 0.000 0.288 131 I C 0.349 176.522 176.117 0.093 0.000 0.999 131 I CA -0.350 61.000 61.300 0.084 0.000 1.129 131 I CB 1.858 39.863 38.000 0.010 0.000 1.288 131 I HN 0.618 nan 8.210 nan 0.000 0.444 132 G N 5.673 114.543 108.800 0.117 0.000 2.368 132 G HA2 0.544 4.504 3.960 -0.000 0.000 0.320 132 G HA3 0.544 4.504 3.960 -0.000 0.000 0.320 132 G C -0.867 174.000 174.900 -0.054 0.000 1.158 132 G CA -0.558 44.376 45.100 -0.276 0.000 0.912 132 G HN 0.599 nan 8.290 nan 0.000 0.456 133 R N 1.290 121.669 120.500 -0.200 0.000 2.387 133 R HA 0.273 4.613 4.340 -0.000 0.000 0.314 133 R C -1.040 175.065 176.300 -0.324 0.000 0.958 133 R CA -0.850 55.148 56.100 -0.171 0.000 0.846 133 R CB 0.888 31.068 30.300 -0.199 0.000 1.147 133 R HN 0.615 nan 8.270 nan 0.000 0.447 134 H N 3.509 122.154 119.070 -0.707 0.000 3.067 134 H HA 0.263 4.819 4.556 -0.000 0.000 0.265 134 H C -0.589 174.482 175.328 -0.427 0.000 1.234 134 H CA -0.135 55.329 56.048 -0.974 0.000 1.452 134 H CB 0.742 29.711 29.762 -1.322 0.000 1.527 134 H HN 0.651 nan 8.280 nan 0.000 0.486 135 A N 4.759 127.307 122.820 -0.454 0.000 3.258 135 A HA 0.122 4.442 4.320 -0.000 0.000 0.275 135 A C 0.865 178.246 177.584 -0.340 0.000 1.452 135 A CA -0.277 51.514 52.037 -0.410 0.000 1.120 135 A CB -0.817 17.993 19.000 -0.318 0.000 1.107 135 A HN 0.927 nan 8.150 nan 0.000 0.651 136 H N 0.321 119.017 119.070 -0.623 0.000 2.297 136 H HA 0.370 4.926 4.556 -0.000 0.000 0.317 136 H C 1.140 176.340 175.328 -0.213 0.000 1.062 136 H CA 1.553 57.365 56.048 -0.393 0.000 1.431 136 H CB 0.418 29.910 29.762 -0.449 0.000 1.452 136 H HN 0.427 nan 8.280 nan 0.000 0.565 137 G N 0.469 108.909 108.800 -0.600 0.000 5.312 137 G HA2 0.117 4.077 3.960 -0.000 0.000 0.204 137 G HA3 0.117 4.077 3.960 -0.000 0.000 0.204 137 G C -0.675 173.917 174.900 -0.513 0.000 1.097 137 G CA -0.084 44.623 45.100 -0.653 0.000 0.621 137 G HN 0.261 nan 8.290 nan 0.000 0.290 138 D N 0.789 121.095 120.400 -0.156 0.000 1.966 138 D HA 0.031 4.671 4.640 -0.000 0.000 0.292 138 D C 2.164 178.407 176.300 -0.096 0.000 1.078 138 D CA 0.552 54.529 54.000 -0.038 0.000 0.850 138 D CB 0.128 40.996 40.800 0.113 0.000 1.006 138 D HN 0.151 nan 8.370 nan 0.000 0.362 139 Q N -0.750 119.026 119.800 -0.039 0.000 2.364 139 Q HA -0.072 4.267 4.340 -0.000 0.000 0.207 139 Q C 1.508 177.344 176.000 -0.273 0.000 0.970 139 Q CA 0.776 56.460 55.803 -0.198 0.000 0.888 139 Q CB -0.202 28.334 28.738 -0.336 0.000 0.951 139 Q HN 0.412 nan 8.270 nan 0.000 0.469 140 Y N -0.644 119.581 120.300 -0.125 0.000 2.529 140 Y HA 0.083 4.633 4.550 -0.000 0.000 0.290 140 Y C 0.818 176.648 175.900 -0.116 0.000 1.177 140 Y CA 0.531 58.570 58.100 -0.102 0.000 1.305 140 Y CB 0.461 38.865 38.460 -0.093 0.000 1.047 140 Y HN -0.159 nan 8.280 nan 0.000 0.522 141 K N -0.454 119.903 120.400 -0.072 0.000 2.761 141 K HA 0.441 4.760 4.320 -0.000 0.000 0.196 141 K C -0.172 176.393 176.600 -0.057 0.000 1.134 141 K CA -0.003 56.242 56.287 -0.070 0.000 1.082 141 K CB 0.350 32.756 32.500 -0.156 0.000 0.768 141 K HN 0.039 nan 8.250 nan 0.000 0.475 142 A N 0.250 123.020 122.820 -0.083 0.000 2.287 142 A HA 0.555 4.875 4.320 -0.000 0.000 0.273 142 A C 0.008 177.591 177.584 -0.002 0.000 1.091 142 A CA -0.176 51.833 52.037 -0.048 0.000 0.817 142 A CB 0.257 19.196 19.000 -0.101 0.000 1.069 142 A HN 0.277 nan 8.150 nan 0.000 0.492 143 T N -0.093 114.474 114.554 0.022 0.000 2.786 143 T HA 0.592 4.942 4.350 -0.000 0.000 0.283 143 T C -1.129 173.571 174.700 0.000 0.000 0.992 143 T CA -0.705 61.407 62.100 0.021 0.000 0.954 143 T CB 1.023 69.919 68.868 0.047 0.000 0.934 143 T HN 0.701 nan 8.240 nan 0.000 0.440 144 D N 1.744 122.134 120.400 -0.017 0.000 2.527 144 D HA 0.709 5.349 4.640 -0.000 0.000 0.233 144 D C -0.346 175.942 176.300 -0.020 0.000 1.063 144 D CA -0.574 53.411 54.000 -0.024 0.000 0.880 144 D CB 1.967 42.739 40.800 -0.047 0.000 1.457 144 D HN 0.724 nan 8.370 nan 0.000 0.475 145 T N -2.323 112.219 114.554 -0.019 0.000 2.762 145 T HA 0.543 4.892 4.350 -0.000 0.000 0.301 145 T C -0.543 174.133 174.700 -0.039 0.000 1.299 145 T CA -1.041 61.043 62.100 -0.027 0.000 1.005 145 T CB 0.714 69.566 68.868 -0.027 0.000 1.377 145 T HN 0.357 nan 8.240 nan 0.000 0.504 146 L N 1.489 122.682 121.223 -0.051 0.000 2.282 146 L HA 0.509 4.848 4.340 -0.000 0.000 0.288 146 L C -0.448 176.353 176.870 -0.115 0.000 1.033 146 L CA -1.262 53.538 54.840 -0.067 0.000 0.807 146 L CB 1.118 43.146 42.059 -0.051 0.000 1.209 146 L HN 0.524 nan 8.230 nan 0.000 0.423 147 I N 5.948 126.403 120.570 -0.192 0.000 2.297 147 I HA 0.184 4.354 4.170 -0.000 0.000 0.291 147 I C -1.122 174.857 176.117 -0.231 0.000 1.033 147 I CA -2.041 59.062 61.300 -0.329 0.000 1.253 147 I CB 1.205 38.711 38.000 -0.823 0.000 1.396 147 I HN 0.411 nan 8.210 nan 0.000 0.476 148 P HA -0.019 nan 4.420 nan 0.000 0.218 148 P C 0.617 177.874 177.300 -0.073 0.000 1.149 148 P CA 1.034 64.079 63.100 -0.092 0.000 0.817 148 P CB 0.989 32.647 31.700 -0.069 0.000 0.785 149 G N -1.314 107.432 108.800 -0.091 0.000 2.561 149 G HA2 0.426 4.386 3.960 -0.000 0.000 0.310 149 G HA3 0.426 4.386 3.960 -0.000 0.000 0.310 149 G C -3.296 171.591 174.900 -0.021 0.000 1.292 149 G CA -0.929 44.149 45.100 -0.037 0.000 0.811 149 G HN -0.217 nan 8.290 nan 0.000 0.482 150 P HA 0.443 nan 4.420 nan 0.000 0.266 150 P C 0.457 177.772 177.300 0.026 0.000 1.186 150 P CA 1.453 64.579 63.100 0.044 0.000 0.767 150 P CB 0.994 32.706 31.700 0.021 0.000 0.820 151 G N 0.220 109.052 108.800 0.053 0.000 2.337 151 G HA2 0.406 4.365 3.960 -0.000 0.000 0.298 151 G HA3 0.406 4.365 3.960 -0.000 0.000 0.298 151 G C -1.331 173.619 174.900 0.082 0.000 1.335 151 G CA -0.369 44.755 45.100 0.040 0.000 0.875 151 G HN 0.581 nan 8.290 nan 0.000 0.579 152 S N -0.717 115.020 115.700 0.063 0.000 2.549 152 S HA 0.816 5.286 4.470 -0.000 0.000 0.297 152 S C -0.393 174.281 174.600 0.125 0.000 1.115 152 S CA -0.823 57.420 58.200 0.071 0.000 1.059 152 S CB 1.941 65.157 63.200 0.026 0.000 1.046 152 S HN 0.921 nan 8.310 nan 0.000 0.506 153 L N 2.015 123.339 121.223 0.169 0.000 2.341 153 L HA 0.617 4.957 4.340 -0.000 0.000 0.278 153 L C -0.706 176.239 176.870 0.126 0.000 1.005 153 L CA -0.314 54.639 54.840 0.190 0.000 0.818 153 L CB 1.589 43.851 42.059 0.338 0.000 1.259 153 L HN 0.920 nan 8.230 nan 0.000 0.418 154 E N 4.605 124.865 120.200 0.100 0.000 2.367 154 E HA 0.436 4.786 4.350 -0.000 0.000 0.273 154 E C -1.332 175.319 176.600 0.084 0.000 0.903 154 E CA -0.836 55.614 56.400 0.083 0.000 0.764 154 E CB 3.349 33.087 29.700 0.065 0.000 1.252 154 E HN 0.441 nan 8.360 nan 0.000 0.446 155 L N 2.471 123.746 121.223 0.087 0.000 2.280 155 L HA 0.447 4.787 4.340 -0.000 0.000 0.287 155 L C -1.283 175.650 176.870 0.104 0.000 1.023 155 L CA -0.869 54.029 54.840 0.097 0.000 0.819 155 L CB 1.313 43.433 42.059 0.102 0.000 1.212 155 L HN 0.324 nan 8.230 nan 0.000 0.420 156 V N 4.998 124.976 119.914 0.105 0.000 2.409 156 V HA 0.293 4.413 4.120 -0.000 0.000 0.291 156 V C -0.910 175.273 176.094 0.149 0.000 1.020 156 V CA -0.653 61.709 62.300 0.104 0.000 0.848 156 V CB 1.612 33.470 31.823 0.058 0.000 0.990 156 V HN 0.557 nan 8.190 nan 0.000 0.430 157 Y N 4.856 125.176 120.300 0.033 0.000 2.328 157 Y HA 0.585 5.135 4.550 -0.000 0.000 0.336 157 Y C -0.064 175.849 175.900 0.021 0.000 0.960 157 Y CA -0.648 57.469 58.100 0.029 0.000 1.134 157 Y CB 1.289 39.770 38.460 0.036 0.000 1.166 157 Y HN 0.543 nan 8.280 nan 0.000 0.464 158 K N 8.912 128.901 120.400 -0.685 0.000 2.449 158 K HA 0.323 4.643 4.320 -0.000 0.000 0.257 158 K C -2.716 173.406 176.600 -0.797 0.000 0.989 158 K CA -1.963 53.955 56.287 -0.615 0.000 0.916 158 K CB 1.385 33.730 32.500 -0.259 0.000 1.136 158 K HN 0.515 nan 8.250 nan 0.000 0.439 159 P HA 0.032 nan 4.420 nan 0.000 0.268 159 P C 0.014 177.222 177.300 -0.152 0.000 1.204 159 P CA -0.051 62.823 63.100 -0.377 0.000 0.768 159 P CB 1.284 32.904 31.700 -0.134 0.000 0.842 160 S N 0.396 116.068 115.700 -0.047 0.000 2.507 160 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 160 S C 0.678 175.268 174.600 -0.017 0.000 0.988 160 S CA 1.014 59.198 58.200 -0.026 0.000 0.944 160 S CB -0.378 62.824 63.200 0.005 0.000 0.762 160 S HN 0.628 nan 8.310 nan 0.000 0.526 161 D N 0.350 120.746 120.400 -0.007 0.000 2.346 161 D HA 0.225 4.865 4.640 -0.000 0.000 0.255 161 D C -2.064 174.236 176.300 -0.000 0.000 1.276 161 D CA -2.007 51.993 54.000 0.000 0.000 0.941 161 D CB 1.329 42.138 40.800 0.014 0.000 1.199 161 D HN -0.039 nan 8.370 nan 0.000 0.537 162 P HA -0.128 nan 4.420 nan 0.000 0.228 162 P C 1.104 178.405 177.300 0.001 0.000 1.151 162 P CA 0.905 63.996 63.100 -0.014 0.000 0.770 162 P CB 0.077 31.762 31.700 -0.025 0.000 0.786 163 T N -3.310 111.247 114.554 0.005 0.000 2.978 163 T HA -0.060 4.290 4.350 -0.000 0.000 0.262 163 T C 1.851 176.560 174.700 0.015 0.000 1.063 163 T CA 1.736 63.841 62.100 0.008 0.000 1.140 163 T CB -1.210 67.661 68.868 0.006 0.000 0.886 163 T HN 0.233 nan 8.240 nan 0.000 0.470 164 T N -0.327 114.240 114.554 0.021 0.000 3.021 164 T HA 0.617 4.967 4.350 -0.000 0.000 0.245 164 T C 0.859 175.583 174.700 0.041 0.000 1.028 164 T CA 0.185 62.301 62.100 0.027 0.000 1.139 164 T CB -0.248 68.636 68.868 0.028 0.000 0.884 164 T HN 0.602 nan 8.240 nan 0.000 0.457 165 A N 0.718 123.572 122.820 0.056 0.000 2.350 165 A HA 0.772 5.092 4.320 -0.000 0.000 0.318 165 A C -0.792 176.839 177.584 0.078 0.000 1.132 165 A CA -1.001 51.089 52.037 0.088 0.000 0.811 165 A CB 1.371 20.462 19.000 0.151 0.000 1.313 165 A HN 0.473 nan 8.150 nan 0.000 0.454 166 Q N 0.865 120.726 119.800 0.102 0.000 2.348 166 Q HA 0.495 4.835 4.340 -0.000 0.000 0.271 166 Q C -2.501 173.558 176.000 0.099 0.000 1.067 166 Q CA -1.986 53.860 55.803 0.071 0.000 0.839 166 Q CB 2.086 30.860 28.738 0.059 0.000 1.354 166 Q HN 0.614 nan 8.270 nan 0.000 0.447 167 P HA -0.004 nan 4.420 nan 0.000 0.272 167 P C -1.198 176.160 177.300 0.097 0.000 1.223 167 P CA -0.007 63.088 63.100 -0.008 0.000 0.784 167 P CB 0.854 32.517 31.700 -0.061 0.000 0.923 168 Q N 0.015 119.911 119.800 0.161 0.000 2.353 168 Q HA 0.524 4.864 4.340 -0.000 0.000 0.268 168 Q C -0.610 175.462 176.000 0.120 0.000 1.045 168 Q CA -0.563 55.340 55.803 0.166 0.000 0.811 168 Q CB 2.282 31.161 28.738 0.234 0.000 1.305 168 Q HN 0.358 nan 8.270 nan 0.000 0.447 169 T N 3.139 117.745 114.554 0.087 0.000 3.103 169 T HA 0.440 4.790 4.350 -0.000 0.000 0.352 169 T C -1.229 173.511 174.700 0.067 0.000 1.048 169 T CA -0.388 61.754 62.100 0.070 0.000 1.175 169 T CB -0.135 68.761 68.868 0.047 0.000 1.029 169 T HN 0.400 nan 8.240 nan 0.000 0.498 170 L N 3.779 125.048 121.223 0.076 0.000 2.289 170 L HA 0.575 4.915 4.340 -0.000 0.000 0.285 170 L C 0.462 177.371 176.870 0.065 0.000 1.049 170 L CA -1.059 53.822 54.840 0.069 0.000 0.804 170 L CB 1.335 43.440 42.059 0.076 0.000 1.195 170 L HN 0.395 nan 8.230 nan 0.000 0.428 171 K N 2.061 122.495 120.400 0.056 0.000 2.349 171 K HA 0.231 4.551 4.320 -0.000 0.000 0.288 171 K C 0.291 176.931 176.600 0.067 0.000 1.058 171 K CA -0.323 55.997 56.287 0.055 0.000 0.953 171 K CB 1.234 33.757 32.500 0.039 0.000 0.997 171 K HN 0.505 nan 8.250 nan 0.000 0.477 172 V N 4.668 124.634 119.914 0.087 0.000 2.581 172 V HA 0.083 4.203 4.120 -0.000 0.000 0.240 172 V C -0.202 175.984 176.094 0.154 0.000 1.054 172 V CA 0.379 62.740 62.300 0.101 0.000 1.076 172 V CB -0.379 31.511 31.823 0.111 0.000 0.748 172 V HN 0.819 nan 8.190 nan 0.000 0.474 173 Y N -0.645 119.629 120.300 -0.043 0.000 2.702 173 Y HA 0.409 4.959 4.550 -0.000 0.000 0.336 173 Y C -2.135 173.706 175.900 -0.098 0.000 1.203 173 Y CA -1.806 56.211 58.100 -0.138 0.000 1.072 173 Y CB 1.497 39.761 38.460 -0.326 0.000 1.327 173 Y HN 0.077 nan 8.280 nan 0.000 0.456 174 D N 3.702 123.515 120.400 -0.978 0.000 2.454 174 D HA 0.190 4.830 4.640 -0.000 0.000 0.247 174 D C -1.274 174.395 176.300 -1.053 0.000 1.129 174 D CA -0.169 53.434 54.000 -0.662 0.000 0.877 174 D CB 0.819 41.389 40.800 -0.382 0.000 1.082 174 D HN 0.358 nan 8.370 nan 0.000 0.537 175 Y N 1.197 121.164 120.300 -0.555 0.000 2.511 175 Y HA 0.034 4.584 4.550 -0.000 0.000 0.332 175 Y C 1.833 177.637 175.900 -0.159 0.000 1.177 175 Y CA 0.278 58.227 58.100 -0.251 0.000 1.422 175 Y CB 0.912 39.384 38.460 0.020 0.000 1.271 175 Y HN 0.119 nan 8.280 nan 0.000 0.550 176 K N 1.969 122.405 120.400 0.060 0.000 2.373 176 K HA 0.375 4.695 4.320 -0.000 0.000 0.202 176 K C 0.511 177.163 176.600 0.086 0.000 1.025 176 K CA 0.174 56.485 56.287 0.040 0.000 1.115 176 K CB 0.685 33.196 32.500 0.018 0.000 0.858 176 K HN 0.879 nan 8.250 nan 0.000 0.525 177 G N 0.577 109.470 108.800 0.154 0.000 2.490 177 G HA2 0.127 4.087 3.960 -0.000 0.000 0.308 177 G HA3 0.127 4.087 3.960 -0.000 0.000 0.308 177 G C -1.246 173.744 174.900 0.150 0.000 1.286 177 G CA -0.732 44.441 45.100 0.122 0.000 0.825 177 G HN 0.033 nan 8.290 nan 0.000 0.479 178 S N -1.095 114.657 115.700 0.086 0.000 2.592 178 S HA 0.829 5.299 4.470 -0.000 0.000 0.271 178 S C 0.613 175.274 174.600 0.101 0.000 1.326 178 S CA 0.795 59.019 58.200 0.039 0.000 1.024 178 S CB 1.432 64.635 63.200 0.006 0.000 0.921 178 S HN 2.305 nan 8.310 nan 0.000 0.527 179 G N 0.026 108.848 108.800 0.037 0.000 2.562 179 G HA2 0.515 4.475 3.960 -0.000 0.000 0.190 179 G HA3 0.515 4.475 3.960 -0.000 0.000 0.190 179 G C -1.431 173.501 174.900 0.054 0.000 1.196 179 G CA 0.110 45.288 45.100 0.129 0.000 0.986 179 G HN 1.409 nan 8.290 nan 0.000 0.512 180 V N -0.429 119.578 119.914 0.156 0.000 3.049 180 V HA 0.904 5.024 4.120 -0.000 0.000 0.309 180 V C -0.935 175.248 176.094 0.149 0.000 1.148 180 V CA 0.233 62.578 62.300 0.075 0.000 0.990 180 V CB 1.748 33.588 31.823 0.028 0.000 1.039 180 V HN 2.166 nan 8.190 nan 0.000 0.430 181 A N 6.254 129.123 122.820 0.080 0.000 2.572 181 A HA 1.031 5.351 4.320 -0.000 0.000 0.295 181 A C -0.961 176.641 177.584 0.031 0.000 1.072 181 A CA -0.331 51.767 52.037 0.102 0.000 0.691 181 A CB 2.091 21.188 19.000 0.162 0.000 1.291 181 A HN 1.761 nan 8.150 nan 0.000 0.404 182 M N 0.288 119.899 119.600 0.018 0.000 2.471 182 M HA 0.835 5.315 4.480 -0.000 0.000 0.284 182 M C -1.058 175.238 176.300 -0.006 0.000 1.203 182 M CA -0.548 54.746 55.300 -0.010 0.000 0.915 182 M CB 2.019 34.587 32.600 -0.053 0.000 1.734 182 M HN 1.676 nan 8.290 nan 0.000 0.485 183 A N 3.953 126.778 122.820 0.008 0.000 2.449 183 A HA 0.985 5.305 4.320 -0.000 0.000 0.302 183 A C -0.878 176.730 177.584 0.040 0.000 1.048 183 A CA -0.831 51.225 52.037 0.032 0.000 0.708 183 A CB 1.898 20.943 19.000 0.075 0.000 1.274 183 A HN 1.162 nan 8.150 nan 0.000 0.410 184 M N 0.666 120.293 119.600 0.045 0.000 2.667 184 M HA 0.930 5.410 4.480 -0.000 0.000 0.286 184 M C -1.141 175.283 176.300 0.208 0.000 1.270 184 M CA -0.805 54.517 55.300 0.036 0.000 0.826 184 M CB 2.030 34.573 32.600 -0.094 0.000 1.743 184 M HN 1.012 nan 8.290 nan 0.000 0.460 185 Y N -1.290 119.129 120.300 0.199 0.000 2.677 185 Y HA 0.877 5.427 4.550 -0.000 0.000 0.334 185 Y C -1.730 174.312 175.900 0.238 0.000 1.154 185 Y CA -0.962 57.284 58.100 0.244 0.000 1.070 185 Y CB 1.616 40.152 38.460 0.127 0.000 1.294 185 Y HN 1.008 nan 8.280 nan 0.000 0.475 186 N N -1.353 117.569 118.700 0.370 0.000 2.961 186 N HA 0.626 5.366 4.740 -0.000 0.000 0.245 186 N C -1.922 173.758 175.510 0.282 0.000 1.404 186 N CA -0.492 52.762 53.050 0.340 0.000 0.880 186 N CB 2.274 40.916 38.487 0.258 0.000 1.461 186 N HN 1.023 nan 8.380 nan 0.000 0.510 187 T N -1.908 112.806 114.554 0.266 0.000 2.916 187 T HA 0.396 4.745 4.350 -0.000 0.000 0.292 187 T C -0.033 174.642 174.700 -0.042 0.000 1.055 187 T CA -0.567 61.587 62.100 0.090 0.000 1.009 187 T CB 1.533 70.466 68.868 0.109 0.000 1.118 187 T HN 0.277 nan 8.240 nan 0.000 0.497 188 D N 0.268 120.628 120.400 -0.067 0.000 2.117 188 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 188 D C 1.863 178.123 176.300 -0.067 0.000 0.987 188 D CA 0.978 54.923 54.000 -0.091 0.000 0.829 188 D CB -0.027 40.735 40.800 -0.063 0.000 0.961 188 D HN 0.750 nan 8.370 nan 0.000 0.460 189 E N 0.657 120.828 120.200 -0.048 0.000 2.058 189 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 189 E C 1.961 178.533 176.600 -0.047 0.000 0.997 189 E CA 1.068 57.444 56.400 -0.040 0.000 0.801 189 E CB -0.187 29.487 29.700 -0.042 0.000 0.746 189 E HN 0.110 nan 8.360 nan 0.000 0.450 190 S N -0.126 115.519 115.700 -0.093 0.000 2.368 190 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 190 S C 2.224 176.864 174.600 0.068 0.000 1.029 190 S CA 1.029 59.194 58.200 -0.059 0.000 0.988 190 S CB -0.257 62.757 63.200 -0.310 0.000 0.838 190 S HN 0.321 nan 8.310 nan 0.000 0.462 191 I N 1.223 121.761 120.570 -0.052 0.000 2.286 191 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 191 I C 2.640 178.744 176.117 -0.021 0.000 1.115 191 I CA 1.550 62.756 61.300 -0.156 0.000 1.392 191 I CB -0.385 37.376 38.000 -0.398 0.000 1.065 191 I HN 0.464 nan 8.210 nan 0.000 0.418 192 E N 1.109 121.291 120.200 -0.029 0.000 2.077 192 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 192 E C 2.302 178.953 176.600 0.085 0.000 0.989 192 E CA 1.296 57.694 56.400 -0.003 0.000 0.800 192 E CB -0.193 29.534 29.700 0.045 0.000 0.746 192 E HN 0.499 nan 8.360 nan 0.000 0.452 193 G N 0.554 109.419 108.800 0.109 0.000 2.418 193 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 193 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 193 G C 1.418 176.420 174.900 0.170 0.000 1.158 193 G CA 0.595 45.781 45.100 0.143 0.000 0.771 193 G HN 0.418 nan 8.290 nan 0.000 0.545 194 F N 2.023 121.954 119.950 -0.032 0.000 2.095 194 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 194 F C 2.898 178.573 175.800 -0.208 0.000 1.104 194 F CA 1.292 59.279 58.000 -0.022 0.000 1.232 194 F CB 0.064 39.026 39.000 -0.065 0.000 0.987 194 F HN 0.268 nan 8.300 nan 0.000 0.475 195 A N 0.249 122.670 122.820 -0.665 0.000 1.845 195 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 195 A C 2.073 179.228 177.584 -0.716 0.000 1.195 195 A CA 1.876 53.025 52.037 -1.479 0.000 0.616 195 A CB -1.503 16.695 19.000 -1.338 0.000 0.832 195 A HN 0.575 nan 8.150 nan 0.000 0.443 196 H N -0.055 118.882 119.070 -0.222 0.000 2.289 196 H HA -0.107 4.449 4.556 0.000 0.000 0.296 196 H C 2.631 177.902 175.328 -0.094 0.000 1.091 196 H CA 1.902 57.935 56.048 -0.025 0.000 1.274 196 H CB -0.444 29.362 29.762 0.072 0.000 1.364 196 H HN 0.476 nan 8.280 nan 0.000 0.490 197 S N 0.136 115.889 115.700 0.088 0.000 2.383 197 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 197 S C 2.464 177.103 174.600 0.064 0.000 1.030 197 S CA 1.209 59.486 58.200 0.129 0.000 1.002 197 S CB -0.096 63.266 63.200 0.270 0.000 0.829 197 S HN 0.343 nan 8.310 nan 0.000 0.467 198 S N 0.736 116.388 115.700 -0.081 0.000 2.371 198 S HA 0.069 4.539 4.470 -0.000 0.000 0.224 198 S C 1.504 175.870 174.600 -0.389 0.000 1.029 198 S CA 0.921 59.002 58.200 -0.199 0.000 0.978 198 S CB -0.358 62.595 63.200 -0.411 0.000 0.833 198 S HN 0.533 nan 8.310 nan 0.000 0.466 199 F N 1.780 121.506 119.950 -0.372 0.000 2.146 199 F HA -0.003 4.523 4.527 -0.000 0.000 0.298 199 F C 2.392 178.051 175.800 -0.235 0.000 1.096 199 F CA 0.798 58.555 58.000 -0.405 0.000 1.275 199 F CB -0.200 38.079 39.000 -1.202 0.000 1.008 199 F HN 0.042 nan 8.300 nan 0.000 0.480 200 K N 0.092 120.443 120.400 -0.083 0.000 2.097 200 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 200 K C 1.959 178.548 176.600 -0.018 0.000 1.049 200 K CA 1.297 57.609 56.287 0.042 0.000 0.933 200 K CB -0.493 32.068 32.500 0.101 0.000 0.717 200 K HN 0.180 nan 8.250 nan 0.000 0.442 201 L N 0.815 121.948 121.223 -0.150 0.000 2.093 201 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 201 L C 2.157 178.899 176.870 -0.213 0.000 1.085 201 L CA 1.519 56.200 54.840 -0.265 0.000 0.755 201 L CB -0.417 41.208 42.059 -0.723 0.000 0.904 201 L HN 0.085 nan 8.230 nan 0.000 0.435 202 A N -0.259 122.464 122.820 -0.162 0.000 1.933 202 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 202 A C 2.143 179.587 177.584 -0.233 0.000 1.175 202 A CA 1.768 53.723 52.037 -0.137 0.000 0.628 202 A CB -0.685 18.348 19.000 0.055 0.000 0.814 202 A HN 0.420 nan 8.150 nan 0.000 0.444 203 I N 0.319 120.789 120.570 -0.166 0.000 2.163 203 I HA -0.194 3.976 4.170 -0.000 0.000 0.240 203 I C 2.248 178.300 176.117 -0.107 0.000 1.081 203 I CA 2.080 63.284 61.300 -0.160 0.000 1.353 203 I CB -1.440 36.570 38.000 0.018 0.000 1.054 203 I HN 0.392 nan 8.210 nan 0.000 0.407 204 D N 1.247 121.609 120.400 -0.063 0.000 2.116 204 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 204 D C 1.965 178.219 176.300 -0.077 0.000 0.998 204 D CA 1.533 55.502 54.000 -0.052 0.000 0.836 204 D CB 0.119 40.902 40.800 -0.029 0.000 0.951 204 D HN 0.006 nan 8.370 nan 0.000 0.449 205 K N 0.317 120.656 120.400 -0.101 0.000 2.418 205 K HA 0.030 4.350 4.320 -0.000 0.000 0.195 205 K C 0.313 176.857 176.600 -0.093 0.000 1.035 205 K CA 0.187 56.418 56.287 -0.093 0.000 1.003 205 K CB 0.085 32.524 32.500 -0.101 0.000 0.793 205 K HN 0.288 nan 8.250 nan 0.000 0.494 206 K N 0.619 120.941 120.400 -0.130 0.000 3.150 206 K HA -0.177 4.143 4.320 -0.000 0.000 0.267 206 K C -0.644 175.886 176.600 -0.117 0.000 1.028 206 K CA 0.365 56.567 56.287 -0.142 0.000 0.753 206 K CB -1.779 30.666 32.500 -0.092 0.000 1.288 206 K HN 0.113 nan 8.250 nan 0.000 0.473 207 L N 0.152 121.299 121.223 -0.127 0.000 2.354 207 L HA 0.397 4.737 4.340 -0.000 0.000 0.264 207 L C 0.529 177.383 176.870 -0.026 0.000 1.008 207 L CA -1.313 53.506 54.840 -0.035 0.000 0.819 207 L CB 1.484 43.550 42.059 0.012 0.000 1.339 207 L HN 0.043 nan 8.230 nan 0.000 0.420 208 N N 1.977 120.724 118.700 0.079 0.000 2.441 208 N HA 0.230 4.970 4.740 -0.000 0.000 0.251 208 N C -0.962 174.588 175.510 0.067 0.000 1.242 208 N CA 0.083 53.168 53.050 0.059 0.000 0.898 208 N CB 1.161 39.704 38.487 0.092 0.000 1.100 208 N HN 0.387 nan 8.380 nan 0.000 0.443 209 L N 2.635 123.835 121.223 -0.039 0.000 2.381 209 L HA 0.481 4.821 4.340 -0.000 0.000 0.274 209 L C -1.492 175.218 176.870 -0.268 0.000 0.988 209 L CA -0.592 54.283 54.840 0.059 0.000 0.824 209 L CB 0.668 42.917 42.059 0.317 0.000 1.263 209 L HN 0.376 nan 8.230 nan 0.000 0.410 210 F N 4.855 124.882 119.950 0.129 0.000 2.507 210 F HA 0.451 4.978 4.527 -0.000 0.000 0.325 210 F C -0.165 175.624 175.800 -0.017 0.000 1.116 210 F CA -0.736 57.245 58.000 -0.031 0.000 0.930 210 F CB 1.973 40.913 39.000 -0.100 0.000 1.146 210 F HN 0.265 nan 8.300 nan 0.000 0.447 211 L N 2.495 123.748 121.223 0.050 0.000 2.309 211 L HA 0.723 5.063 4.340 -0.000 0.000 0.282 211 L C -0.557 176.177 176.870 -0.227 0.000 1.036 211 L CA 0.108 54.891 54.840 -0.094 0.000 0.806 211 L CB 1.477 43.425 42.059 -0.184 0.000 1.220 211 L HN 0.519 nan 8.230 nan 0.000 0.429 212 S N 2.401 117.986 115.700 -0.193 0.000 2.521 212 S HA 0.875 5.344 4.470 -0.000 0.000 0.295 212 S C -0.443 174.060 174.600 -0.162 0.000 1.098 212 S CA -0.299 57.749 58.200 -0.254 0.000 0.999 212 S CB 1.686 64.807 63.200 -0.132 0.000 1.034 212 S HN 0.935 nan 8.310 nan 0.000 0.483 213 T N -0.488 113.990 114.554 -0.127 0.000 2.681 213 T HA 0.645 4.995 4.350 -0.000 0.000 0.296 213 T C -1.002 173.725 174.700 0.045 0.000 1.157 213 T CA -0.745 61.364 62.100 0.014 0.000 1.025 213 T CB 1.408 70.380 68.868 0.174 0.000 1.441 213 T HN 0.291 nan 8.240 nan 0.000 0.504 214 K N 0.549 120.987 120.400 0.063 0.000 3.045 214 K HA 0.344 4.664 4.320 -0.000 0.000 0.211 214 K C 1.223 177.874 176.600 0.084 0.000 1.141 214 K CA -0.031 56.291 56.287 0.058 0.000 1.036 214 K CB -1.162 31.356 32.500 0.029 0.000 0.851 214 K HN 0.709 nan 8.250 nan 0.000 0.462 215 N N -1.357 117.421 118.700 0.130 0.000 2.417 215 N HA -0.250 4.490 4.740 -0.000 0.000 0.187 215 N C 0.951 176.506 175.510 0.075 0.000 1.027 215 N CA 1.656 54.770 53.050 0.107 0.000 0.891 215 N CB -0.179 38.353 38.487 0.075 0.000 0.956 215 N HN 0.265 nan 8.380 nan 0.000 0.442 216 T N -1.696 112.899 114.554 0.069 0.000 2.915 216 T HA -0.015 4.335 4.350 -0.000 0.000 0.269 216 T C 1.639 176.362 174.700 0.038 0.000 1.071 216 T CA 0.710 62.838 62.100 0.047 0.000 1.132 216 T CB -0.071 68.821 68.868 0.040 0.000 0.878 216 T HN 0.122 nan 8.240 nan 0.000 0.479 217 I N 0.706 121.299 120.570 0.038 0.000 2.726 217 I HA 0.297 4.467 4.170 -0.000 0.000 0.243 217 I C 1.073 177.213 176.117 0.039 0.000 1.082 217 I CA 0.257 61.573 61.300 0.027 0.000 1.447 217 I CB -0.287 37.720 38.000 0.011 0.000 1.250 217 I HN 0.140 nan 8.210 nan 0.000 0.453 218 L N 2.461 123.716 121.223 0.055 0.000 2.391 218 L HA 0.138 4.478 4.340 -0.000 0.000 0.249 218 L C 1.391 178.335 176.870 0.123 0.000 1.308 218 L CA -0.240 54.654 54.840 0.090 0.000 1.209 218 L CB -0.424 41.697 42.059 0.104 0.000 1.401 218 L HN 0.148 nan 8.230 nan 0.000 0.416 219 K N 0.833 121.287 120.400 0.091 0.000 2.059 219 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 219 K C 1.633 178.292 176.600 0.098 0.000 1.050 219 K CA 1.540 57.875 56.287 0.080 0.000 0.927 219 K CB 0.012 32.547 32.500 0.058 0.000 0.714 219 K HN 0.470 nan 8.250 nan 0.000 0.447 220 K N -0.299 120.174 120.400 0.122 0.000 2.056 220 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 220 K C 2.336 179.041 176.600 0.175 0.000 1.035 220 K CA 0.594 56.955 56.287 0.123 0.000 0.955 220 K CB -0.831 31.736 32.500 0.112 0.000 0.769 220 K HN 0.069 nan 8.250 nan 0.000 0.447 221 Y N 3.019 123.387 120.300 0.115 0.000 1.993 221 Y HA -0.314 4.236 4.550 -0.000 0.000 0.267 221 Y C 1.955 178.034 175.900 0.298 0.000 1.155 221 Y CA 2.226 60.436 58.100 0.183 0.000 1.105 221 Y CB -0.269 38.281 38.460 0.150 0.000 0.960 221 Y HN 0.151 nan 8.280 nan 0.000 0.486 222 D N -0.999 119.672 120.400 0.451 0.000 2.144 222 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 222 D C 2.307 178.780 176.300 0.288 0.000 0.978 222 D CA 1.295 55.507 54.000 0.354 0.000 0.833 222 D CB -0.869 40.052 40.800 0.201 0.000 0.961 222 D HN 0.519 nan 8.370 nan 0.000 0.470 223 G N 0.510 109.421 108.800 0.185 0.000 2.450 223 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.220 223 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.220 223 G C 1.793 176.760 174.900 0.111 0.000 1.130 223 G CA 0.643 45.802 45.100 0.098 0.000 0.760 223 G HN 0.119 nan 8.290 nan 0.000 0.557 224 R N 0.168 120.749 120.500 0.136 0.000 2.081 224 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 224 R C 2.186 178.523 176.300 0.062 0.000 1.131 224 R CA 1.068 57.196 56.100 0.046 0.000 0.960 224 R CB -0.911 29.347 30.300 -0.069 0.000 0.856 224 R HN 0.391 nan 8.270 nan 0.000 0.436 225 F N 0.602 120.585 119.950 0.054 0.000 2.146 225 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 225 F C 2.317 178.179 175.800 0.104 0.000 1.096 225 F CA 1.664 59.727 58.000 0.104 0.000 1.275 225 F CB -0.429 38.609 39.000 0.064 0.000 1.008 225 F HN 0.069 nan 8.300 nan 0.000 0.480 226 K N 0.332 120.861 120.400 0.216 0.000 2.026 226 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 226 K C 1.639 178.324 176.600 0.142 0.000 1.048 226 K CA 1.953 58.282 56.287 0.069 0.000 0.929 226 K CB -0.198 32.146 32.500 -0.260 0.000 0.713 226 K HN 0.096 nan 8.250 nan 0.000 0.439 227 D N 0.685 121.148 120.400 0.105 0.000 2.117 227 D HA -0.124 4.515 4.640 -0.000 0.000 0.198 227 D C 1.938 178.314 176.300 0.126 0.000 0.982 227 D CA 1.072 55.130 54.000 0.095 0.000 0.828 227 D CB -0.087 40.743 40.800 0.051 0.000 0.967 227 D HN 0.301 nan 8.370 nan 0.000 0.464 228 I N -0.086 120.569 120.570 0.141 0.000 2.315 228 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 228 I C 2.025 178.239 176.117 0.162 0.000 1.117 228 I CA 0.589 61.955 61.300 0.110 0.000 1.404 228 I CB -0.135 37.896 38.000 0.053 0.000 1.071 228 I HN -0.124 nan 8.210 nan 0.000 0.419 229 F N 1.031 121.013 119.950 0.054 0.000 2.146 229 F HA -0.249 4.278 4.527 0.000 0.000 0.298 229 F C 2.735 178.612 175.800 0.128 0.000 1.096 229 F CA 1.637 59.682 58.000 0.075 0.000 1.275 229 F CB -0.622 38.407 39.000 0.049 0.000 1.008 229 F HN 0.059 nan 8.300 nan 0.000 0.480 230 Q N 0.673 120.687 119.800 0.358 0.000 2.084 230 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 230 Q C 2.160 178.260 176.000 0.167 0.000 0.978 230 Q CA 2.042 58.028 55.803 0.305 0.000 0.844 230 Q CB -0.449 28.436 28.738 0.245 0.000 0.898 230 Q HN 0.543 nan 8.270 nan 0.000 0.426 231 E N -1.092 119.165 120.200 0.096 0.000 2.051 231 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 231 E C 1.811 178.383 176.600 -0.047 0.000 0.991 231 E CA 1.479 57.890 56.400 0.019 0.000 0.799 231 E CB 0.012 29.720 29.700 0.013 0.000 0.748 231 E HN 0.277 nan 8.360 nan 0.000 0.449 232 V N 0.772 120.644 119.914 -0.071 0.000 2.490 232 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 232 V C 2.115 178.047 176.094 -0.269 0.000 1.061 232 V CA 1.910 64.103 62.300 -0.178 0.000 1.064 232 V CB -0.725 30.945 31.823 -0.255 0.000 0.670 232 V HN 0.415 nan 8.190 nan 0.000 0.461 233 Y N 1.502 121.492 120.300 -0.516 0.000 2.109 233 Y HA -0.203 4.347 4.550 -0.000 0.000 0.285 233 Y C 2.533 178.196 175.900 -0.396 0.000 1.131 233 Y CA 1.992 59.631 58.100 -0.769 0.000 1.121 233 Y CB -0.413 37.638 38.460 -0.681 0.000 0.987 233 Y HN 0.347 nan 8.280 nan 0.000 0.495 234 E N -0.077 119.925 120.200 -0.329 0.000 2.118 234 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 234 E C 2.270 178.684 176.600 -0.310 0.000 0.992 234 E CA 1.108 57.299 56.400 -0.348 0.000 0.804 234 E CB -0.317 29.301 29.700 -0.137 0.000 0.741 234 E HN 0.571 nan 8.360 nan 0.000 0.458 235 A N 0.585 123.253 122.820 -0.253 0.000 1.930 235 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 235 A C 1.819 179.228 177.584 -0.292 0.000 1.176 235 A CA 1.165 53.069 52.037 -0.221 0.000 0.632 235 A CB 0.075 18.981 19.000 -0.157 0.000 0.819 235 A HN 0.149 nan 8.150 nan 0.000 0.445 236 Q N -3.493 116.053 119.800 -0.424 0.000 2.179 236 Q HA 0.211 4.551 4.340 -0.000 0.000 0.244 236 Q C 0.401 175.891 176.000 -0.851 0.000 0.808 236 Q CA 0.179 55.600 55.803 -0.636 0.000 0.955 236 Q CB 0.632 28.897 28.738 -0.788 0.000 1.141 236 Q HN 0.776 nan 8.270 nan 0.000 0.485 237 Y N -0.485 119.569 120.300 -0.411 0.000 2.452 237 Y HA 0.235 4.785 4.550 -0.000 0.000 0.262 237 Y C 1.924 177.627 175.900 -0.329 0.000 1.089 237 Y CA -0.350 57.566 58.100 -0.308 0.000 1.262 237 Y CB 0.572 38.805 38.460 -0.378 0.000 1.236 237 Y HN -0.137 nan 8.280 nan 0.000 0.512 238 K N 1.261 121.263 120.400 -0.663 0.000 2.034 238 K HA -0.259 4.061 4.320 -0.000 0.000 0.214 238 K C 2.273 178.778 176.600 -0.158 0.000 1.051 238 K CA 2.317 58.171 56.287 -0.721 0.000 0.931 238 K CB -0.209 31.743 32.500 -0.913 0.000 0.715 238 K HN 0.368 nan 8.250 nan 0.000 0.446 239 S N 0.447 116.061 115.700 -0.143 0.000 2.382 239 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 239 S C 1.684 176.305 174.600 0.035 0.000 1.027 239 S CA 1.361 59.533 58.200 -0.046 0.000 0.991 239 S CB -0.248 62.909 63.200 -0.072 0.000 0.823 239 S HN 0.362 nan 8.310 nan 0.000 0.469 240 K N -0.191 120.258 120.400 0.081 0.000 2.155 240 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 240 K C 1.652 178.376 176.600 0.208 0.000 1.052 240 K CA 1.005 57.374 56.287 0.137 0.000 0.948 240 K CB -0.326 32.280 32.500 0.177 0.000 0.728 240 K HN 0.318 nan 8.250 nan 0.000 0.448 241 F N 2.359 122.350 119.950 0.067 0.000 2.206 241 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 241 F C 2.024 177.835 175.800 0.020 0.000 1.090 241 F CA 1.224 59.278 58.000 0.091 0.000 1.323 241 F CB -0.095 39.047 39.000 0.237 0.000 1.028 241 F HN 0.051 nan 8.300 nan 0.000 0.492 242 E N -0.505 119.817 120.200 0.204 0.000 2.106 242 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 242 E C 2.100 178.724 176.600 0.040 0.000 0.984 242 E CA 1.099 57.559 56.400 0.100 0.000 0.806 242 E CB -0.314 29.439 29.700 0.089 0.000 0.750 242 E HN 0.534 nan 8.360 nan 0.000 0.458 243 Q N 0.399 120.219 119.800 0.034 0.000 2.124 243 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 243 Q C 2.225 178.216 176.000 -0.014 0.000 0.977 243 Q CA 0.981 56.790 55.803 0.009 0.000 0.850 243 Q CB -0.031 28.712 28.738 0.009 0.000 0.901 243 Q HN 0.331 nan 8.270 nan 0.000 0.429 244 L N -1.210 119.991 121.223 -0.037 0.000 2.418 244 L HA 0.061 4.401 4.340 -0.000 0.000 0.218 244 L C 1.204 178.019 176.870 -0.093 0.000 1.125 244 L CA 0.585 55.378 54.840 -0.077 0.000 0.835 244 L CB -0.000 41.977 42.059 -0.135 0.000 0.953 244 L HN 0.460 nan 8.230 nan 0.000 0.454 245 G N 1.163 109.904 108.800 -0.099 0.000 2.132 245 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.234 245 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.234 245 G C 0.218 174.927 174.900 -0.317 0.000 0.989 245 G CA 0.310 45.327 45.100 -0.138 0.000 0.676 245 G HN 0.414 nan 8.290 nan 0.000 0.522 246 I N -2.224 118.142 120.570 -0.340 0.000 2.822 246 I HA 0.872 5.042 4.170 -0.000 0.000 0.312 246 I C 0.141 176.065 176.117 -0.321 0.000 1.011 246 I CA -1.431 59.635 61.300 -0.390 0.000 1.105 246 I CB 1.517 39.285 38.000 -0.387 0.000 1.291 246 I HN 0.049 nan 8.210 nan 0.000 0.474 247 H N 1.629 120.855 119.070 0.261 0.000 2.821 247 H HA 0.377 4.933 4.556 -0.000 0.000 0.373 247 H C -1.837 173.613 175.328 0.204 0.000 1.165 247 H CA -0.515 55.706 56.048 0.289 0.000 1.154 247 H CB 2.407 32.208 29.762 0.066 0.000 1.765 247 H HN 0.775 nan 8.280 nan 0.000 0.549 248 Y N 0.768 121.050 120.300 -0.030 0.000 2.446 248 Y HA 0.455 5.005 4.550 0.000 0.000 0.338 248 Y C -0.657 175.039 175.900 -0.339 0.000 1.055 248 Y CA -0.473 57.401 58.100 -0.377 0.000 1.101 248 Y CB 1.883 39.744 38.460 -0.999 0.000 1.221 248 Y HN 0.767 nan 8.280 nan 0.000 0.460 249 E N 3.233 122.495 120.200 -1.562 0.000 2.400 249 E HA 0.122 4.472 4.350 -0.000 0.000 0.285 249 E C -2.187 173.970 176.600 -0.738 0.000 1.005 249 E CA -0.814 54.985 56.400 -1.001 0.000 0.816 249 E CB 1.096 30.549 29.700 -0.413 0.000 1.220 249 E HN 0.886 nan 8.360 nan 0.000 0.426 250 H N 3.445 122.224 119.070 -0.484 0.000 2.502 250 H HA 0.491 5.047 4.556 -0.000 0.000 0.327 250 H C -0.861 174.419 175.328 -0.081 0.000 1.099 250 H CA -0.186 55.742 56.048 -0.200 0.000 1.323 250 H CB 0.689 30.399 29.762 -0.087 0.000 1.450 250 H HN 0.222 nan 8.280 nan 0.000 0.502 251 R N 4.012 124.182 120.500 -0.550 0.000 2.744 251 R HA 0.248 4.588 4.340 -0.000 0.000 0.279 251 R C -1.104 174.946 176.300 -0.415 0.000 0.977 251 R CA -1.267 54.646 56.100 -0.312 0.000 0.906 251 R CB 1.738 31.931 30.300 -0.177 0.000 1.197 251 R HN 0.540 nan 8.270 nan 0.000 0.463 252 L N 2.408 123.530 121.223 -0.168 0.000 2.453 252 L HA 0.019 4.359 4.340 -0.000 0.000 0.272 252 L C 1.995 178.797 176.870 -0.112 0.000 1.182 252 L CA 0.346 55.131 54.840 -0.092 0.000 0.858 252 L CB 0.166 42.215 42.059 -0.018 0.000 1.120 252 L HN 0.639 nan 8.230 nan 0.000 0.474 253 I N 1.705 122.222 120.570 -0.087 0.000 2.315 253 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 253 I C 1.608 177.696 176.117 -0.047 0.000 1.125 253 I CA 1.553 62.813 61.300 -0.067 0.000 1.392 253 I CB -0.307 37.672 38.000 -0.036 0.000 1.065 253 I HN 0.730 nan 8.210 nan 0.000 0.424 254 D N 0.496 120.875 120.400 -0.036 0.000 2.117 254 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 254 D C 1.794 178.071 176.300 -0.039 0.000 0.982 254 D CA 1.397 55.381 54.000 -0.027 0.000 0.828 254 D CB -0.361 40.429 40.800 -0.017 0.000 0.967 254 D HN 0.401 nan 8.370 nan 0.000 0.464 255 D N -0.054 120.312 120.400 -0.057 0.000 2.103 255 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 255 D C 1.965 178.201 176.300 -0.106 0.000 0.978 255 D CA 0.486 54.442 54.000 -0.074 0.000 0.829 255 D CB -0.362 40.391 40.800 -0.079 0.000 0.981 255 D HN 0.059 nan 8.370 nan 0.000 0.464 256 M N 0.831 120.351 119.600 -0.135 0.000 2.073 256 M HA -0.142 4.338 4.480 -0.000 0.000 0.258 256 M C 2.022 178.264 176.300 -0.098 0.000 1.070 256 M CA 1.267 56.460 55.300 -0.179 0.000 1.103 256 M CB -0.655 31.846 32.600 -0.165 0.000 1.321 256 M HN -0.110 nan 8.290 nan 0.000 0.405 257 V N 0.302 120.189 119.914 -0.045 0.000 2.332 257 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 257 V C 2.473 178.581 176.094 0.022 0.000 1.055 257 V CA 2.021 64.325 62.300 0.007 0.000 1.038 257 V CB -1.225 30.602 31.823 0.007 0.000 0.651 257 V HN 0.681 nan 8.190 nan 0.000 0.450 258 A N -1.374 121.441 122.820 -0.008 0.000 1.872 258 A HA -0.252 4.068 4.320 -0.000 0.000 0.214 258 A C 2.200 179.785 177.584 0.001 0.000 1.187 258 A CA 1.745 53.781 52.037 -0.002 0.000 0.614 258 A CB -0.545 18.444 19.000 -0.019 0.000 0.826 258 A HN 0.590 nan 8.150 nan 0.000 0.442 259 Q N -0.928 118.844 119.800 -0.046 0.000 2.226 259 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 259 Q C 2.008 178.009 176.000 0.001 0.000 0.975 259 Q CA 1.586 57.345 55.803 -0.073 0.000 0.866 259 Q CB -0.193 28.425 28.738 -0.199 0.000 0.915 259 Q HN 0.753 nan 8.270 nan 0.000 0.440 260 M N 0.515 120.152 119.600 0.060 0.000 2.067 260 M HA -0.173 4.307 4.480 -0.000 0.000 0.260 260 M C 2.014 178.567 176.300 0.422 0.000 1.069 260 M CA 1.757 57.208 55.300 0.253 0.000 1.117 260 M CB -0.185 32.552 32.600 0.229 0.000 1.334 260 M HN 0.413 nan 8.290 nan 0.000 0.407 261 I N -1.271 119.505 120.570 0.343 0.000 3.001 261 I HA -0.097 4.072 4.170 -0.000 0.000 0.268 261 I C 1.973 178.192 176.117 0.169 0.000 1.267 261 I CA 1.457 62.954 61.300 0.328 0.000 1.472 261 I CB -0.548 37.513 38.000 0.101 0.000 1.089 261 I HN 0.275 nan 8.210 nan 0.000 0.468 262 K N 1.286 121.778 120.400 0.154 0.000 2.323 262 K HA 0.095 4.415 4.320 -0.000 0.000 0.197 262 K C 1.270 177.952 176.600 0.137 0.000 1.043 262 K CA 0.601 56.938 56.287 0.082 0.000 0.997 262 K CB 0.151 32.673 32.500 0.037 0.000 0.807 262 K HN 0.639 nan 8.250 nan 0.000 0.497 263 S N 0.204 116.050 115.700 0.243 0.000 2.625 263 S HA 0.105 4.575 4.470 -0.000 0.000 0.258 263 S C 0.614 175.428 174.600 0.356 0.000 1.256 263 S CA -0.322 58.038 58.200 0.267 0.000 0.983 263 S CB 0.849 64.246 63.200 0.329 0.000 1.032 263 S HN 0.170 nan 8.310 nan 0.000 0.572 264 K N 0.154 120.731 120.400 0.295 0.000 2.374 264 K HA 0.370 4.690 4.320 -0.000 0.000 0.202 264 K C 0.930 177.648 176.600 0.197 0.000 1.040 264 K CA 0.278 56.727 56.287 0.270 0.000 1.085 264 K CB 0.158 32.761 32.500 0.172 0.000 0.873 264 K HN 0.945 nan 8.250 nan 0.000 0.539 265 G N 0.808 109.692 108.800 0.140 0.000 2.681 265 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.220 265 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.220 265 G C 0.248 175.142 174.900 -0.010 0.000 1.353 265 G CA -0.337 44.666 45.100 -0.162 0.000 0.872 265 G HN 0.529 nan 8.290 nan 0.000 0.557 266 G N -2.123 106.552 108.800 -0.209 0.000 2.520 266 G HA2 0.468 4.428 3.960 -0.000 0.000 0.264 266 G HA3 0.468 4.428 3.960 -0.000 0.000 0.264 266 G C 0.073 175.062 174.900 0.148 0.000 1.140 266 G CA 0.927 46.018 45.100 -0.015 0.000 1.012 266 G HN 2.518 nan 8.290 nan 0.000 0.511 267 F N -2.435 117.548 119.950 0.055 0.000 2.842 267 F HA 0.758 5.285 4.527 -0.000 0.000 0.319 267 F C -0.996 174.870 175.800 0.109 0.000 1.159 267 F CA -2.364 55.710 58.000 0.123 0.000 0.902 267 F CB 0.714 39.878 39.000 0.274 0.000 1.311 267 F HN 0.121 nan 8.300 nan 0.000 0.453 268 I N 2.480 123.306 120.570 0.427 0.000 2.404 268 I HA 0.522 4.692 4.170 -0.000 0.000 0.293 268 I C -0.794 175.589 176.117 0.443 0.000 0.992 268 I CA -0.750 60.728 61.300 0.296 0.000 1.149 268 I CB 1.918 40.019 38.000 0.169 0.000 1.315 268 I HN 0.533 nan 8.210 nan 0.000 0.446 269 M N 5.441 125.245 119.600 0.341 0.000 2.114 269 M HA 0.539 5.019 4.480 -0.000 0.000 0.332 269 M C -0.344 176.101 176.300 0.243 0.000 1.014 269 M CA -0.465 55.022 55.300 0.310 0.000 0.956 269 M CB 1.838 34.587 32.600 0.248 0.000 1.551 269 M HN 0.685 nan 8.290 nan 0.000 0.427 270 A N 5.647 128.590 122.820 0.206 0.000 2.301 270 A HA 0.867 5.187 4.320 -0.000 0.000 0.298 270 A C -0.827 176.885 177.584 0.213 0.000 1.185 270 A CA -0.436 51.722 52.037 0.201 0.000 0.830 270 A CB 0.471 19.451 19.000 -0.033 0.000 1.112 270 A HN 0.898 nan 8.150 nan 0.000 0.508 271 L N 1.649 123.085 121.223 0.355 0.000 2.376 271 L HA 0.478 4.818 4.340 -0.000 0.000 0.258 271 L C 0.055 177.028 176.870 0.172 0.000 1.013 271 L CA -1.006 53.949 54.840 0.191 0.000 0.822 271 L CB 2.147 44.248 42.059 0.070 0.000 1.388 271 L HN 0.673 nan 8.230 nan 0.000 0.413 272 K N 0.610 121.023 120.400 0.021 0.000 2.219 272 K HA 0.105 4.425 4.320 -0.000 0.000 0.258 272 K C 0.589 177.168 176.600 -0.036 0.000 1.008 272 K CA -0.548 55.711 56.287 -0.046 0.000 0.928 272 K CB 0.494 32.887 32.500 -0.179 0.000 0.983 272 K HN 0.461 nan 8.250 nan 0.000 0.484 273 N N 1.197 119.863 118.700 -0.056 0.000 2.106 273 N HA -0.293 4.447 4.740 -0.000 0.000 0.200 273 N C 1.651 177.141 175.510 -0.034 0.000 1.014 273 N CA 1.976 54.937 53.050 -0.148 0.000 0.891 273 N CB -0.401 37.999 38.487 -0.144 0.000 1.069 273 N HN 0.583 nan 8.380 nan 0.000 0.490 274 Y N 1.627 121.972 120.300 0.075 0.000 2.163 274 Y HA -0.101 4.449 4.550 -0.000 0.000 0.288 274 Y C 2.121 178.053 175.900 0.054 0.000 1.136 274 Y CA 1.714 59.913 58.100 0.165 0.000 1.147 274 Y CB -0.547 37.989 38.460 0.128 0.000 0.987 274 Y HN 0.135 nan 8.280 nan 0.000 0.509 275 D N -0.588 119.775 120.400 -0.061 0.000 2.117 275 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 275 D C 2.295 178.514 176.300 -0.135 0.000 0.987 275 D CA 1.505 55.422 54.000 -0.139 0.000 0.829 275 D CB -0.647 40.132 40.800 -0.036 0.000 0.961 275 D HN 0.535 nan 8.370 nan 0.000 0.460 276 G N 0.812 109.554 108.800 -0.096 0.000 2.422 276 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 276 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 276 G C 1.445 176.271 174.900 -0.123 0.000 1.146 276 G CA 0.980 46.026 45.100 -0.091 0.000 0.769 276 G HN 0.176 nan 8.290 nan 0.000 0.547 277 D N 0.250 120.554 120.400 -0.159 0.000 2.078 277 D HA -0.114 4.526 4.640 -0.000 0.000 0.193 277 D C 2.699 178.917 176.300 -0.136 0.000 0.990 277 D CA 1.204 55.122 54.000 -0.136 0.000 0.827 277 D CB -0.459 40.300 40.800 -0.069 0.000 0.975 277 D HN 0.128 nan 8.370 nan 0.000 0.451 278 V N 0.713 120.482 119.914 -0.241 0.000 2.343 278 V HA -0.189 3.930 4.120 -0.000 0.000 0.247 278 V C 2.506 178.533 176.094 -0.111 0.000 1.051 278 V CA 1.472 63.645 62.300 -0.211 0.000 1.036 278 V CB -0.509 31.091 31.823 -0.371 0.000 0.654 278 V HN 0.275 nan 8.190 nan 0.000 0.451 279 Q N -0.328 119.411 119.800 -0.101 0.000 2.167 279 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 279 Q C 2.506 178.505 176.000 -0.002 0.000 0.970 279 Q CA 1.511 57.296 55.803 -0.030 0.000 0.855 279 Q CB -0.482 28.244 28.738 -0.020 0.000 0.911 279 Q HN 0.621 nan 8.270 nan 0.000 0.438 280 S N 1.514 117.198 115.700 -0.027 0.000 2.382 280 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 280 S C 1.338 175.944 174.600 0.010 0.000 1.027 280 S CA 1.242 59.431 58.200 -0.017 0.000 0.991 280 S CB -0.099 63.075 63.200 -0.043 0.000 0.823 280 S HN 0.370 nan 8.310 nan 0.000 0.469 281 D N 1.322 121.724 120.400 0.004 0.000 2.144 281 D HA 0.016 4.656 4.640 -0.000 0.000 0.200 281 D C 1.848 178.184 176.300 0.059 0.000 0.978 281 D CA 0.704 54.719 54.000 0.024 0.000 0.833 281 D CB -0.287 40.518 40.800 0.008 0.000 0.961 281 D HN 0.354 nan 8.370 nan 0.000 0.470 282 I N 0.574 121.182 120.570 0.064 0.000 2.202 282 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 282 I C 2.437 178.681 176.117 0.211 0.000 1.091 282 I CA 0.667 62.032 61.300 0.108 0.000 1.368 282 I CB -0.073 37.984 38.000 0.095 0.000 1.058 282 I HN -0.125 nan 8.210 nan 0.000 0.410 283 V N 0.957 121.004 119.914 0.221 0.000 2.358 283 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 283 V C 2.678 179.028 176.094 0.428 0.000 1.047 283 V CA 1.931 64.437 62.300 0.343 0.000 1.035 283 V CB -0.945 30.959 31.823 0.134 0.000 0.658 283 V HN 0.486 nan 8.190 nan 0.000 0.452 284 A N -0.696 122.253 122.820 0.216 0.000 1.883 284 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 284 A C 2.169 179.892 177.584 0.231 0.000 1.186 284 A CA 1.672 53.814 52.037 0.174 0.000 0.624 284 A CB -0.488 18.555 19.000 0.072 0.000 0.822 284 A HN 0.522 nan 8.150 nan 0.000 0.444 285 Q N -0.572 119.335 119.800 0.179 0.000 2.170 285 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 285 Q C 2.162 178.255 176.000 0.155 0.000 0.976 285 Q CA 1.459 57.342 55.803 0.133 0.000 0.858 285 Q CB -0.952 27.835 28.738 0.081 0.000 0.907 285 Q HN 0.672 nan 8.270 nan 0.000 0.433 286 G N -0.647 108.302 108.800 0.247 0.000 2.422 286 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 286 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 286 G C 1.051 176.053 174.900 0.170 0.000 1.140 286 G CA 0.218 45.414 45.100 0.159 0.000 0.775 286 G HN 0.255 nan 8.290 nan 0.000 0.545 287 F N 0.711 120.839 119.950 0.297 0.000 2.512 287 F HA 0.334 4.861 4.527 0.000 0.000 0.296 287 F C 1.915 177.774 175.800 0.099 0.000 1.110 287 F CA 0.953 59.088 58.000 0.224 0.000 1.446 287 F CB 0.482 39.567 39.000 0.141 0.000 1.092 287 F HN 0.421 nan 8.300 nan 0.000 0.554 288 G N -0.672 108.266 108.800 0.231 0.000 2.253 288 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.190 288 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.190 288 G C -0.529 174.424 174.900 0.089 0.000 1.274 288 G CA -0.298 44.873 45.100 0.120 0.000 1.275 288 G HN 0.155 nan 8.290 nan 0.000 0.518 289 S N -0.019 115.712 115.700 0.053 0.000 2.572 289 S HA 0.403 4.873 4.470 -0.000 0.000 0.279 289 S C 1.834 176.450 174.600 0.027 0.000 1.341 289 S CA 0.175 58.387 58.200 0.020 0.000 1.043 289 S CB 0.535 63.726 63.200 -0.015 0.000 0.887 289 S HN 0.691 nan 8.310 nan 0.000 0.516 290 L N 4.120 125.354 121.223 0.018 0.000 2.465 290 L HA 0.084 4.424 4.340 -0.000 0.000 0.224 290 L C 2.473 179.406 176.870 0.105 0.000 1.145 290 L CA 0.805 55.678 54.840 0.055 0.000 0.834 290 L CB -0.655 41.435 42.059 0.052 0.000 0.944 290 L HN 0.905 nan 8.230 nan 0.000 0.451 291 G N -0.239 108.567 108.800 0.010 0.000 2.625 291 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.214 291 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.214 291 G C 1.314 176.231 174.900 0.027 0.000 1.132 291 G CA 0.243 45.349 45.100 0.010 0.000 0.782 291 G HN 0.347 nan 8.290 nan 0.000 0.538 292 L N -0.639 120.580 121.223 -0.007 0.000 2.808 292 L HA 0.447 4.787 4.340 -0.000 0.000 0.246 292 L C 0.302 177.101 176.870 -0.117 0.000 1.153 292 L CA -0.403 54.382 54.840 -0.091 0.000 0.956 292 L CB 0.410 42.422 42.059 -0.078 0.000 1.270 292 L HN 0.118 nan 8.230 nan 0.000 0.528 293 M N 1.652 121.224 119.600 -0.046 0.000 2.080 293 M HA 0.295 4.775 4.480 -0.000 0.000 0.350 293 M C 0.322 176.575 176.300 -0.078 0.000 1.173 293 M CA -0.241 55.011 55.300 -0.080 0.000 1.052 293 M CB 0.908 33.485 32.600 -0.038 0.000 1.577 293 M HN 0.104 nan 8.290 nan 0.000 0.455 294 T N 1.241 115.738 114.554 -0.094 0.000 2.938 294 T HA 0.967 5.317 4.350 -0.000 0.000 0.285 294 T C -0.378 174.305 174.700 -0.029 0.000 1.028 294 T CA -0.447 61.626 62.100 -0.046 0.000 1.005 294 T CB 1.454 70.325 68.868 0.005 0.000 1.157 294 T HN 0.816 nan 8.240 nan 0.000 0.550 295 S N -0.131 115.572 115.700 0.005 0.000 2.537 295 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 295 S C -1.546 173.096 174.600 0.070 0.000 1.142 295 S CA -0.926 57.293 58.200 0.031 0.000 0.870 295 S CB 1.467 64.664 63.200 -0.004 0.000 1.112 295 S HN 1.140 nan 8.310 nan 0.000 0.466 296 I N 1.991 122.639 120.570 0.129 0.000 2.569 296 I HA 0.611 4.781 4.170 -0.000 0.000 0.290 296 I C -1.598 174.654 176.117 0.225 0.000 1.088 296 I CA -0.972 60.431 61.300 0.173 0.000 1.047 296 I CB 1.824 39.939 38.000 0.191 0.000 1.237 296 I HN 0.942 nan 8.210 nan 0.000 0.421 297 L N 8.076 129.406 121.223 0.179 0.000 2.275 297 L HA 0.740 5.080 4.340 -0.000 0.000 0.288 297 L C -1.395 175.552 176.870 0.129 0.000 1.046 297 L CA -0.505 54.416 54.840 0.136 0.000 0.805 297 L CB 1.194 43.282 42.059 0.049 0.000 1.193 297 L HN 0.479 nan 8.230 nan 0.000 0.426 298 V N 3.280 123.275 119.914 0.136 0.000 2.604 298 V HA 0.472 4.592 4.120 -0.000 0.000 0.305 298 V C 0.262 176.314 176.094 -0.071 0.000 1.043 298 V CA -0.528 61.741 62.300 -0.052 0.000 0.888 298 V CB 2.179 34.070 31.823 0.113 0.000 0.995 298 V HN 0.890 nan 8.190 nan 0.000 0.429 299 T N 2.299 116.709 114.554 -0.240 0.000 2.927 299 T HA 0.421 4.770 4.350 -0.000 0.000 0.281 299 T C -2.023 172.631 174.700 -0.077 0.000 0.998 299 T CA -1.968 60.055 62.100 -0.129 0.000 1.019 299 T CB 1.786 70.555 68.868 -0.165 0.000 1.061 299 T HN 0.379 nan 8.240 nan 0.000 0.518 300 P HA -0.098 nan 4.420 nan 0.000 0.215 300 P C 1.114 178.387 177.300 -0.044 0.000 1.153 300 P CA 1.186 64.287 63.100 0.002 0.000 0.853 300 P CB -0.104 31.578 31.700 -0.030 0.000 0.788 301 D N -1.350 119.000 120.400 -0.084 0.000 2.348 301 D HA -0.010 4.630 4.640 -0.000 0.000 0.216 301 D C 1.377 177.656 176.300 -0.035 0.000 0.970 301 D CA 1.043 55.001 54.000 -0.071 0.000 0.889 301 D CB -1.362 39.392 40.800 -0.075 0.000 0.912 301 D HN 0.208 nan 8.370 nan 0.000 0.524 302 G N 0.402 109.154 108.800 -0.080 0.000 2.198 302 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 302 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 302 G C 0.930 175.807 174.900 -0.039 0.000 1.025 302 G CA 0.544 45.599 45.100 -0.075 0.000 0.769 302 G HN 0.355 nan 8.290 nan 0.000 0.507 303 K N -0.525 119.808 120.400 -0.112 0.000 2.380 303 K HA 0.184 4.504 4.320 -0.000 0.000 0.198 303 K C 0.703 177.304 176.600 0.001 0.000 1.070 303 K CA 0.687 56.991 56.287 0.029 0.000 1.040 303 K CB 0.778 33.289 32.500 0.019 0.000 0.903 303 K HN 0.379 nan 8.250 nan 0.000 0.549 304 T N 1.319 115.694 114.554 -0.299 0.000 2.841 304 T HA 0.652 5.002 4.350 -0.000 0.000 0.283 304 T C -0.826 173.559 174.700 -0.525 0.000 1.000 304 T CA -0.432 61.543 62.100 -0.208 0.000 0.977 304 T CB 0.965 69.754 68.868 -0.133 0.000 0.979 304 T HN -0.188 nan 8.240 nan 0.000 0.446 305 F N 0.908 120.871 119.950 0.021 0.000 2.588 305 F HA 0.591 5.117 4.527 -0.000 0.000 0.310 305 F C 0.116 175.919 175.800 0.004 0.000 1.082 305 F CA -1.073 56.940 58.000 0.021 0.000 0.929 305 F CB 2.048 41.061 39.000 0.022 0.000 1.254 305 F HN 0.473 nan 8.300 nan 0.000 0.455 306 E N 1.030 121.338 120.200 0.181 0.000 2.246 306 E HA 0.511 4.861 4.350 -0.000 0.000 0.266 306 E C -1.669 174.980 176.600 0.081 0.000 0.880 306 E CA -0.424 56.026 56.400 0.082 0.000 0.762 306 E CB 1.920 31.631 29.700 0.020 0.000 1.180 306 E HN 0.522 nan 8.360 nan 0.000 0.416 307 S N 3.679 119.402 115.700 0.038 0.000 2.449 307 S HA 0.418 4.888 4.470 -0.000 0.000 0.310 307 S C -1.304 173.301 174.600 0.008 0.000 1.096 307 S CA -0.497 57.720 58.200 0.028 0.000 1.095 307 S CB 0.732 63.933 63.200 0.002 0.000 1.007 307 S HN 0.594 nan 8.310 nan 0.000 0.474 308 E N 2.646 122.856 120.200 0.017 0.000 2.388 308 E HA 0.644 4.994 4.350 -0.000 0.000 0.280 308 E C -1.004 175.581 176.600 -0.026 0.000 1.019 308 E CA -1.248 55.153 56.400 0.003 0.000 0.806 308 E CB 0.932 30.598 29.700 -0.058 0.000 1.246 308 E HN 0.587 nan 8.360 nan 0.000 0.443 309 A N 1.244 124.025 122.820 -0.064 0.000 2.483 309 A HA 0.488 4.808 4.320 -0.000 0.000 0.238 309 A C 1.046 178.460 177.584 -0.283 0.000 1.070 309 A CA 0.437 52.340 52.037 -0.223 0.000 0.770 309 A CB 0.443 19.154 19.000 -0.482 0.000 1.008 309 A HN 0.890 nan 8.150 nan 0.000 0.497 310 A N 1.384 124.060 122.820 -0.240 0.000 2.072 310 A HA 0.223 4.543 4.320 -0.000 0.000 0.216 310 A C 0.985 178.504 177.584 -0.109 0.000 1.156 310 A CA 1.304 53.257 52.037 -0.140 0.000 0.701 310 A CB -0.836 18.120 19.000 -0.075 0.000 0.816 310 A HN 1.104 nan 8.150 nan 0.000 0.458 311 H N -2.165 116.895 119.070 -0.016 0.000 2.509 311 H HA 0.644 5.200 4.556 -0.000 0.000 0.360 311 H C 0.897 176.207 175.328 -0.029 0.000 1.398 311 H CA -0.558 55.475 56.048 -0.025 0.000 1.429 311 H CB -0.166 29.579 29.762 -0.029 0.000 1.611 311 H HN 0.092 nan 8.280 nan 0.000 0.606 312 G N -1.446 107.487 108.800 0.221 0.000 2.574 312 G HA2 0.232 4.192 3.960 -0.000 0.000 0.248 312 G HA3 0.232 4.192 3.960 -0.000 0.000 0.248 312 G C 0.751 175.742 174.900 0.152 0.000 1.422 312 G CA -0.225 44.946 45.100 0.118 0.000 1.051 312 G HN 0.918 nan 8.290 nan 0.000 0.560 313 T N -2.524 112.057 114.554 0.045 0.000 3.113 313 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 313 T C 0.897 175.592 174.700 -0.009 0.000 1.143 313 T CA 0.627 62.731 62.100 0.007 0.000 1.090 313 T CB -0.374 68.468 68.868 -0.043 0.000 0.922 313 T HN 1.354 nan 8.240 nan 0.000 0.521 314 V N 1.152 121.042 119.914 -0.040 0.000 5.961 314 V HA -0.273 3.847 4.120 -0.000 0.000 0.311 314 V C 1.639 177.720 176.094 -0.022 0.000 0.552 314 V CA 0.832 63.045 62.300 -0.145 0.000 0.641 314 V CB -3.498 28.174 31.823 -0.252 0.000 0.286 314 V HN 0.655 nan 8.190 nan 0.000 0.939 315 T N 0.015 114.593 114.554 0.040 0.000 2.699 315 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 315 T C 1.893 176.700 174.700 0.179 0.000 1.036 315 T CA 2.352 64.539 62.100 0.145 0.000 1.147 315 T CB -0.185 68.756 68.868 0.122 0.000 0.862 315 T HN 0.763 nan 8.240 nan 0.000 0.446 316 R N 0.089 120.656 120.500 0.113 0.000 2.120 316 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 316 R C 2.293 178.762 176.300 0.282 0.000 1.123 316 R CA 1.354 57.551 56.100 0.161 0.000 0.975 316 R CB -0.375 30.008 30.300 0.137 0.000 0.866 316 R HN 0.654 nan 8.270 nan 0.000 0.446 317 H N -1.742 117.388 119.070 0.101 0.000 2.470 317 H HA -0.091 4.465 4.556 -0.000 0.000 0.289 317 H C 1.533 176.980 175.328 0.199 0.000 1.033 317 H CA 0.615 56.731 56.048 0.114 0.000 1.331 317 H CB 0.147 29.956 29.762 0.080 0.000 1.414 317 H HN 0.175 nan 8.280 nan 0.000 0.545 318 Y N 2.116 122.541 120.300 0.209 0.000 2.242 318 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 318 Y C 2.113 178.138 175.900 0.208 0.000 1.137 318 Y CA 0.865 59.083 58.100 0.196 0.000 1.181 318 Y CB -0.016 38.528 38.460 0.139 0.000 0.989 318 Y HN -0.066 nan 8.280 nan 0.000 0.527 319 R N 0.840 121.396 120.500 0.094 0.000 2.120 319 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 319 R C 2.033 178.317 176.300 -0.027 0.000 1.123 319 R CA 1.408 57.497 56.100 -0.018 0.000 0.975 319 R CB -0.503 29.823 30.300 0.044 0.000 0.866 319 R HN 0.437 nan 8.270 nan 0.000 0.446 320 K N -0.745 119.683 120.400 0.046 0.000 2.031 320 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 320 K C 2.106 178.718 176.600 0.019 0.000 1.049 320 K CA 1.105 57.410 56.287 0.030 0.000 0.939 320 K CB -0.397 32.132 32.500 0.048 0.000 0.717 320 K HN 0.084 nan 8.250 nan 0.000 0.438 321 Y N 2.798 123.078 120.300 -0.034 0.000 2.151 321 Y HA -0.294 4.256 4.550 -0.000 0.000 0.284 321 Y C 2.247 178.085 175.900 -0.104 0.000 1.166 321 Y CA 1.697 59.783 58.100 -0.024 0.000 1.163 321 Y CB -0.154 38.350 38.460 0.073 0.000 0.974 321 Y HN 0.121 nan 8.280 nan 0.000 0.511 322 Q N -0.181 119.511 119.800 -0.180 0.000 2.234 322 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 322 Q C 1.611 177.495 176.000 -0.193 0.000 0.980 322 Q CA 1.760 57.413 55.803 -0.250 0.000 0.869 322 Q CB -0.118 28.421 28.738 -0.332 0.000 0.912 322 Q HN 0.503 nan 8.270 nan 0.000 0.436 323 K N -1.365 118.940 120.400 -0.159 0.000 2.374 323 K HA 0.129 4.449 4.320 -0.000 0.000 0.196 323 K C 0.769 177.291 176.600 -0.130 0.000 1.023 323 K CA 0.466 56.683 56.287 -0.117 0.000 1.103 323 K CB 0.987 33.442 32.500 -0.075 0.000 0.848 323 K HN 0.293 nan 8.250 nan 0.000 0.528 324 G N 1.920 110.599 108.800 -0.202 0.000 2.176 324 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 324 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 324 G C -0.309 174.525 174.900 -0.110 0.000 0.979 324 G CA -0.061 44.924 45.100 -0.192 0.000 0.641 324 G HN 0.380 nan 8.290 nan 0.000 0.530 325 E N 0.622 120.776 120.200 -0.077 0.000 2.383 325 E HA 0.371 4.721 4.350 -0.000 0.000 0.264 325 E C 0.532 177.132 176.600 0.000 0.000 1.050 325 E CA -0.356 56.026 56.400 -0.029 0.000 0.896 325 E CB 0.845 30.534 29.700 -0.018 0.000 0.982 325 E HN 0.472 nan 8.360 nan 0.000 0.424 326 E N 1.485 121.694 120.200 0.016 0.000 2.442 326 E HA -0.009 4.341 4.350 -0.000 0.000 0.262 326 E C -0.757 175.860 176.600 0.030 0.000 1.004 326 E CA 0.149 56.574 56.400 0.042 0.000 0.928 326 E CB 0.549 30.281 29.700 0.052 0.000 0.937 326 E HN 0.502 nan 8.360 nan 0.000 0.446 327 T N 0.389 114.973 114.554 0.049 0.000 2.903 327 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 327 T C -0.474 174.214 174.700 -0.020 0.000 1.093 327 T CA -0.949 61.135 62.100 -0.027 0.000 1.002 327 T CB 1.760 70.662 68.868 0.057 0.000 1.127 327 T HN 0.191 nan 8.240 nan 0.000 0.488 328 S N 1.371 116.980 115.700 -0.150 0.000 2.204 328 S HA 0.462 4.932 4.470 -0.000 0.000 0.147 328 S C -0.563 173.991 174.600 -0.076 0.000 1.711 328 S CA -0.542 57.601 58.200 -0.095 0.000 1.274 328 S CB -0.266 62.803 63.200 -0.218 0.000 1.257 328 S HN 0.853 nan 8.310 nan 0.000 0.404 329 T N 3.485 118.068 114.554 0.048 0.000 2.799 329 T HA 0.324 4.674 4.350 -0.000 0.000 0.286 329 T C 0.058 174.763 174.700 0.009 0.000 0.973 329 T CA -0.552 61.630 62.100 0.137 0.000 1.035 329 T CB 0.729 69.730 68.868 0.222 0.000 0.932 329 T HN 0.478 nan 8.240 nan 0.000 0.469 330 N N 1.526 120.184 118.700 -0.069 0.000 2.442 330 N HA 0.116 4.856 4.740 -0.000 0.000 0.265 330 N C 0.563 176.062 175.510 -0.017 0.000 1.138 330 N CA -0.027 52.925 53.050 -0.164 0.000 0.956 330 N CB 0.881 39.259 38.487 -0.183 0.000 1.067 330 N HN 0.437 nan 8.380 nan 0.000 0.474 331 S N 3.294 119.031 115.700 0.062 0.000 2.535 331 S HA 0.189 4.659 4.470 -0.000 0.000 0.214 331 S C 1.917 176.697 174.600 0.299 0.000 0.980 331 S CA -0.411 57.939 58.200 0.250 0.000 0.907 331 S CB 0.064 63.474 63.200 0.351 0.000 0.790 331 S HN 0.590 nan 8.310 nan 0.000 0.510 332 I N 2.078 122.784 120.570 0.228 0.000 2.118 332 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 332 I C 2.748 179.010 176.117 0.242 0.000 1.070 332 I CA 1.487 62.939 61.300 0.253 0.000 1.327 332 I CB -0.465 37.583 38.000 0.080 0.000 1.034 332 I HN 0.322 nan 8.210 nan 0.000 0.405 333 A N -0.129 122.794 122.820 0.171 0.000 1.902 333 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 333 A C 2.472 180.216 177.584 0.266 0.000 1.181 333 A CA 2.251 54.381 52.037 0.156 0.000 0.623 333 A CB -0.747 18.342 19.000 0.148 0.000 0.818 333 A HN 0.410 nan 8.150 nan 0.000 0.443 334 S N -0.231 115.673 115.700 0.340 0.000 2.382 334 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 334 S C 1.792 176.648 174.600 0.427 0.000 1.027 334 S CA 1.407 59.860 58.200 0.421 0.000 0.991 334 S CB -0.479 63.017 63.200 0.493 0.000 0.823 334 S HN 0.544 nan 8.310 nan 0.000 0.469 335 I N 0.322 121.121 120.570 0.382 0.000 2.179 335 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 335 I C 1.772 178.089 176.117 0.333 0.000 1.088 335 I CA 1.299 62.791 61.300 0.320 0.000 1.357 335 I CB -0.339 37.832 38.000 0.285 0.000 1.051 335 I HN 0.203 nan 8.210 nan 0.000 0.409 336 F N 0.906 120.936 119.950 0.134 0.000 2.365 336 F HA -0.112 4.415 4.527 0.000 0.000 0.300 336 F C 2.460 178.307 175.800 0.079 0.000 1.090 336 F CA 0.898 58.947 58.000 0.082 0.000 1.408 336 F CB -0.826 38.204 39.000 0.050 0.000 1.060 336 F HN 0.005 nan 8.300 nan 0.000 0.534 337 A N -0.768 122.217 122.820 0.276 0.000 1.877 337 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 337 A C 2.018 179.608 177.584 0.010 0.000 1.186 337 A CA 1.486 53.604 52.037 0.134 0.000 0.620 337 A CB -1.293 17.817 19.000 0.183 0.000 0.822 337 A HN 0.481 nan 8.150 nan 0.000 0.443 338 W N 0.914 122.219 121.300 0.009 0.000 2.378 338 W HA -0.171 4.488 4.660 -0.000 0.000 0.313 338 W C 3.095 179.577 176.519 -0.061 0.000 1.197 338 W CA 2.277 59.588 57.345 -0.057 0.000 1.304 338 W CB -0.558 28.815 29.460 -0.144 0.000 1.148 338 W HN 0.468 nan 8.180 nan 0.000 0.494 339 S N 0.278 116.033 115.700 0.092 0.000 2.368 339 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 339 S C 1.840 176.389 174.600 -0.085 0.000 1.030 339 S CA 1.285 59.431 58.200 -0.090 0.000 0.999 339 S CB -0.448 62.530 63.200 -0.370 0.000 0.844 339 S HN 0.090 nan 8.310 nan 0.000 0.459 340 R N 1.543 122.010 120.500 -0.054 0.000 2.115 340 R HA 0.224 4.564 4.340 -0.000 0.000 0.226 340 R C 2.542 178.808 176.300 -0.058 0.000 1.100 340 R CA 1.255 57.330 56.100 -0.043 0.000 0.980 340 R CB -1.298 29.018 30.300 0.026 0.000 0.875 340 R HN 0.592 nan 8.270 nan 0.000 0.445 341 G N -0.298 108.479 108.800 -0.039 0.000 2.394 341 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 341 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 341 G C 1.336 176.214 174.900 -0.036 0.000 1.165 341 G CA 0.244 45.312 45.100 -0.054 0.000 0.784 341 G HN 0.209 nan 8.290 nan 0.000 0.535 342 L N -0.325 120.909 121.223 0.019 0.000 2.093 342 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 342 L C 2.684 179.556 176.870 0.003 0.000 1.085 342 L CA 0.254 55.130 54.840 0.061 0.000 0.755 342 L CB -0.328 41.830 42.059 0.165 0.000 0.904 342 L HN 0.187 nan 8.230 nan 0.000 0.435 343 L N -0.075 121.122 121.223 -0.043 0.000 2.012 343 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 343 L C 2.610 179.402 176.870 -0.129 0.000 1.073 343 L CA 1.809 56.601 54.840 -0.081 0.000 0.748 343 L CB -0.486 41.509 42.059 -0.106 0.000 0.891 343 L HN 0.067 nan 8.230 nan 0.000 0.431 344 K N -0.588 119.690 120.400 -0.202 0.000 2.097 344 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 344 K C 2.302 178.790 176.600 -0.186 0.000 1.049 344 K CA 1.217 57.295 56.287 -0.347 0.000 0.933 344 K CB -0.378 31.758 32.500 -0.606 0.000 0.717 344 K HN 0.181 nan 8.250 nan 0.000 0.442 345 R N 0.652 121.099 120.500 -0.088 0.000 2.091 345 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 345 R C 2.205 178.497 176.300 -0.012 0.000 1.136 345 R CA 1.974 58.064 56.100 -0.018 0.000 0.959 345 R CB -1.051 29.259 30.300 0.017 0.000 0.856 345 R HN 0.279 nan 8.270 nan 0.000 0.437 346 G N -0.172 108.616 108.800 -0.020 0.000 2.422 346 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 346 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 346 G C 1.122 176.009 174.900 -0.022 0.000 1.140 346 G CA 0.731 45.825 45.100 -0.010 0.000 0.775 346 G HN 0.478 nan 8.290 nan 0.000 0.545 347 E N 0.044 120.213 120.200 -0.052 0.000 2.072 347 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 347 E C 2.475 179.064 176.600 -0.018 0.000 0.985 347 E CA 0.471 56.842 56.400 -0.049 0.000 0.801 347 E CB -0.161 29.483 29.700 -0.094 0.000 0.750 347 E HN 0.377 nan 8.360 nan 0.000 0.452 348 L N 1.029 122.246 121.223 -0.010 0.000 2.217 348 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 348 L C 1.231 178.121 176.870 0.034 0.000 1.107 348 L CA 0.694 55.553 54.840 0.033 0.000 0.783 348 L CB -0.005 42.094 42.059 0.067 0.000 0.919 348 L HN 0.019 nan 8.230 nan 0.000 0.442 349 D N -0.883 119.532 120.400 0.024 0.000 2.349 349 D HA 0.010 4.650 4.640 -0.000 0.000 0.214 349 D C -0.093 176.217 176.300 0.017 0.000 1.063 349 D CA 0.055 54.070 54.000 0.026 0.000 0.847 349 D CB -0.046 40.771 40.800 0.028 0.000 0.933 349 D HN 0.127 nan 8.370 nan 0.000 0.513 350 N N 1.021 119.727 118.700 0.010 0.000 2.642 350 N HA -0.150 4.590 4.740 -0.000 0.000 0.269 350 N C -0.787 174.727 175.510 0.006 0.000 1.073 350 N CA 0.751 53.804 53.050 0.006 0.000 0.748 350 N CB -1.430 37.062 38.487 0.009 0.000 0.894 350 N HN 0.058 nan 8.380 nan 0.000 0.548 351 T N 0.749 115.306 114.554 0.005 0.000 3.226 351 T HA 0.211 4.561 4.350 -0.000 0.000 0.378 351 T C -1.167 173.537 174.700 0.005 0.000 1.380 351 T CA -0.930 61.174 62.100 0.006 0.000 1.396 351 T CB 2.033 70.906 68.868 0.010 0.000 1.044 351 T HN 0.087 nan 8.240 nan 0.000 0.586 352 P HA -0.194 nan 4.420 nan 0.000 0.216 352 P C 1.631 178.937 177.300 0.009 0.000 1.150 352 P CA 1.086 64.187 63.100 0.001 0.000 0.843 352 P CB 0.231 31.930 31.700 -0.002 0.000 0.787 353 A N 0.206 123.033 122.820 0.012 0.000 1.903 353 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 353 A C 2.313 179.925 177.584 0.046 0.000 1.191 353 A CA 2.124 54.173 52.037 0.020 0.000 0.638 353 A CB -1.712 17.294 19.000 0.009 0.000 0.823 353 A HN 0.218 nan 8.150 nan 0.000 0.451 354 L N -0.143 121.106 121.223 0.043 0.000 1.994 354 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 354 L C 2.557 179.487 176.870 0.100 0.000 1.071 354 L CA 2.296 57.184 54.840 0.081 0.000 0.745 354 L CB -1.046 41.045 42.059 0.053 0.000 0.892 354 L HN 0.499 nan 8.230 nan 0.000 0.431 355 C N -0.337 118.986 119.300 0.038 0.000 2.403 355 C HA -0.215 4.245 4.460 -0.000 0.000 0.277 355 C C 2.812 177.796 174.990 -0.011 0.000 1.248 355 C CA 1.331 60.349 59.018 0.001 0.000 1.762 355 C CB -1.061 26.668 27.740 -0.019 0.000 2.014 355 C HN 0.575 nan 8.230 nan 0.000 0.486 356 K N -0.106 120.300 120.400 0.010 0.000 2.057 356 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 356 K C 1.892 178.481 176.600 -0.018 0.000 1.050 356 K CA 1.450 57.731 56.287 -0.010 0.000 0.935 356 K CB -0.383 32.119 32.500 0.004 0.000 0.715 356 K HN 0.469 nan 8.250 nan 0.000 0.439 357 F N 1.217 121.109 119.950 -0.098 0.000 2.171 357 F HA -0.108 4.420 4.527 0.000 0.000 0.300 357 F C 1.852 177.565 175.800 -0.145 0.000 1.090 357 F CA 1.343 59.264 58.000 -0.133 0.000 1.293 357 F CB -0.469 38.465 39.000 -0.110 0.000 1.013 357 F HN 0.066 nan 8.300 nan 0.000 0.486 358 A N 0.645 123.320 122.820 -0.240 0.000 1.902 358 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 358 A C 2.038 179.391 177.584 -0.385 0.000 1.181 358 A CA 1.863 53.699 52.037 -0.335 0.000 0.623 358 A CB -0.892 18.031 19.000 -0.129 0.000 0.818 358 A HN 0.529 nan 8.150 nan 0.000 0.443 359 N N -0.161 118.376 118.700 -0.271 0.000 2.396 359 N HA 0.003 4.743 4.740 -0.000 0.000 0.180 359 N C 1.567 176.914 175.510 -0.273 0.000 1.028 359 N CA 1.023 53.931 53.050 -0.237 0.000 0.893 359 N CB -0.238 38.162 38.487 -0.146 0.000 0.967 359 N HN 0.567 nan 8.380 nan 0.000 0.440 360 I N 0.369 120.734 120.570 -0.341 0.000 2.333 360 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 360 I C 2.156 178.012 176.117 -0.436 0.000 1.106 360 I CA 0.373 61.468 61.300 -0.342 0.000 1.411 360 I CB -0.058 37.745 38.000 -0.327 0.000 1.082 360 I HN 0.023 nan 8.210 nan 0.000 0.420 361 L N 1.170 121.993 121.223 -0.667 0.000 2.042 361 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 361 L C 2.315 178.942 176.870 -0.405 0.000 1.076 361 L CA 1.941 56.415 54.840 -0.610 0.000 0.749 361 L CB -0.659 40.940 42.059 -0.767 0.000 0.893 361 L HN 0.209 nan 8.230 nan 0.000 0.432 362 E N -1.021 118.907 120.200 -0.454 0.000 2.031 362 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 362 E C 2.239 178.757 176.600 -0.136 0.000 0.994 362 E CA 1.403 57.543 56.400 -0.433 0.000 0.800 362 E CB -0.349 29.017 29.700 -0.557 0.000 0.752 362 E HN 0.582 nan 8.360 nan 0.000 0.447 363 S N 0.589 116.201 115.700 -0.146 0.000 2.359 363 S HA -0.214 4.256 4.470 -0.000 0.000 0.224 363 S C 2.137 176.700 174.600 -0.062 0.000 1.035 363 S CA 1.373 59.529 58.200 -0.074 0.000 1.018 363 S CB -0.194 62.949 63.200 -0.096 0.000 0.876 363 S HN 0.332 nan 8.310 nan 0.000 0.448 364 A N 0.399 123.147 122.820 -0.120 0.000 1.902 364 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 364 A C 2.399 179.945 177.584 -0.063 0.000 1.181 364 A CA 2.251 54.222 52.037 -0.109 0.000 0.623 364 A CB -1.567 17.331 19.000 -0.169 0.000 0.818 364 A HN 0.604 nan 8.150 nan 0.000 0.443 365 T N 0.619 115.154 114.554 -0.032 0.000 2.674 365 T HA -0.090 4.260 4.350 -0.000 0.000 0.265 365 T C 1.829 176.629 174.700 0.167 0.000 1.039 365 T CA 1.549 63.693 62.100 0.074 0.000 1.150 365 T CB -0.400 68.588 68.868 0.200 0.000 0.864 365 T HN 0.366 nan 8.240 nan 0.000 0.427 366 L N 1.138 122.473 121.223 0.186 0.000 2.093 366 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 366 L C 2.448 179.388 176.870 0.115 0.000 1.085 366 L CA 0.914 55.860 54.840 0.177 0.000 0.755 366 L CB -0.690 41.478 42.059 0.182 0.000 0.904 366 L HN 0.235 nan 8.230 nan 0.000 0.435 367 N N -0.343 118.397 118.700 0.067 0.000 2.381 367 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 367 N C 1.785 177.324 175.510 0.047 0.000 1.025 367 N CA 1.406 54.482 53.050 0.043 0.000 0.888 367 N CB -0.318 38.175 38.487 0.010 0.000 0.965 367 N HN 0.283 nan 8.380 nan 0.000 0.438 368 T N 0.643 115.225 114.554 0.046 0.000 2.720 368 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 368 T C 2.118 176.891 174.700 0.122 0.000 1.037 368 T CA 0.927 63.048 62.100 0.036 0.000 1.144 368 T CB -0.071 68.756 68.868 -0.068 0.000 0.864 368 T HN -0.000 nan 8.240 nan 0.000 0.444 369 V N 0.775 120.798 119.914 0.182 0.000 2.300 369 V HA -0.081 4.039 4.120 -0.000 0.000 0.241 369 V C 2.541 178.701 176.094 0.110 0.000 1.034 369 V CA 1.427 63.835 62.300 0.180 0.000 1.021 369 V CB -0.667 31.266 31.823 0.183 0.000 0.662 369 V HN 0.282 nan 8.190 nan 0.000 0.458 370 Q N 0.407 120.262 119.800 0.092 0.000 2.002 370 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 370 Q C 2.218 178.250 176.000 0.053 0.000 0.988 370 Q CA 2.338 58.181 55.803 0.067 0.000 0.843 370 Q CB -0.312 28.463 28.738 0.061 0.000 0.908 370 Q HN 0.685 nan 8.270 nan 0.000 0.420 371 Q N -0.778 119.050 119.800 0.047 0.000 2.061 371 Q HA -0.064 4.276 4.340 -0.000 0.000 0.195 371 Q C 1.566 177.587 176.000 0.035 0.000 0.967 371 Q CA 1.259 57.083 55.803 0.034 0.000 0.829 371 Q CB 0.173 28.925 28.738 0.023 0.000 0.900 371 Q HN 0.439 nan 8.270 nan 0.000 0.450 372 D N -0.702 119.722 120.400 0.039 0.000 2.317 372 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 372 D C 0.874 177.206 176.300 0.055 0.000 0.966 372 D CA 1.028 55.052 54.000 0.039 0.000 0.876 372 D CB 0.119 40.937 40.800 0.030 0.000 0.927 372 D HN 0.437 nan 8.370 nan 0.000 0.519 373 G N 1.173 110.016 108.800 0.072 0.000 2.198 373 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 373 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 373 G C 0.199 175.163 174.900 0.107 0.000 1.025 373 G CA -0.018 45.130 45.100 0.082 0.000 0.769 373 G HN 0.368 nan 8.290 nan 0.000 0.507 374 I N 0.909 121.563 120.570 0.140 0.000 2.315 374 I HA 0.663 4.833 4.170 -0.000 0.000 0.291 374 I C 0.728 177.044 176.117 0.330 0.000 1.006 374 I CA -0.397 61.019 61.300 0.193 0.000 1.265 374 I CB 1.009 39.098 38.000 0.148 0.000 1.387 374 I HN 0.403 nan 8.210 nan 0.000 0.475 375 M N 3.816 123.585 119.600 0.282 0.000 2.773 375 M HA 0.545 5.025 4.480 -0.000 0.000 0.270 375 M C -0.750 175.600 176.300 0.084 0.000 1.238 375 M CA -0.835 54.566 55.300 0.169 0.000 0.832 375 M CB 2.134 34.785 32.600 0.084 0.000 1.672 375 M HN 0.389 nan 8.290 nan 0.000 0.480 376 T N -1.923 112.547 114.554 -0.140 0.000 2.874 376 T HA 0.311 4.661 4.350 -0.000 0.000 0.281 376 T C 0.827 175.461 174.700 -0.109 0.000 0.994 376 T CA -0.625 61.413 62.100 -0.104 0.000 1.015 376 T CB 1.804 70.536 68.868 -0.227 0.000 1.028 376 T HN 0.931 nan 8.240 nan 0.000 0.523 377 K N 0.965 121.184 120.400 -0.302 0.000 2.059 377 K HA -0.269 4.050 4.320 -0.000 0.000 0.212 377 K C 1.812 178.273 176.600 -0.232 0.000 1.050 377 K CA 2.466 58.433 56.287 -0.532 0.000 0.927 377 K CB -0.652 31.261 32.500 -0.977 0.000 0.714 377 K HN 0.859 nan 8.250 nan 0.000 0.447 378 D N 0.622 120.920 120.400 -0.170 0.000 2.158 378 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 378 D C 2.007 178.269 176.300 -0.065 0.000 0.995 378 D CA 1.029 54.972 54.000 -0.094 0.000 0.846 378 D CB -0.273 40.482 40.800 -0.075 0.000 0.941 378 D HN 0.199 nan 8.370 nan 0.000 0.456 379 L N 1.119 122.300 121.223 -0.071 0.000 2.095 379 L HA 0.125 4.465 4.340 -0.000 0.000 0.204 379 L C 2.842 179.713 176.870 0.002 0.000 1.080 379 L CA 1.425 56.244 54.840 -0.035 0.000 0.759 379 L CB -1.214 40.814 42.059 -0.051 0.000 0.914 379 L HN 0.132 nan 8.230 nan 0.000 0.439 380 A N -0.738 122.095 122.820 0.021 0.000 1.972 380 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 380 A C 2.254 179.868 177.584 0.051 0.000 1.169 380 A CA 1.378 53.457 52.037 0.070 0.000 0.635 380 A CB -0.734 18.367 19.000 0.168 0.000 0.810 380 A HN 0.406 nan 8.150 nan 0.000 0.446 381 L N -0.992 120.242 121.223 0.019 0.000 2.131 381 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 381 L C 2.927 179.804 176.870 0.012 0.000 1.092 381 L CA 0.971 55.819 54.840 0.013 0.000 0.759 381 L CB -0.564 41.488 42.059 -0.012 0.000 0.903 381 L HN 0.444 nan 8.230 nan 0.000 0.435 382 A N -1.154 121.672 122.820 0.010 0.000 2.119 382 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 382 A C 2.222 179.813 177.584 0.012 0.000 1.153 382 A CA 1.253 53.295 52.037 0.009 0.000 0.692 382 A CB -0.721 18.286 19.000 0.012 0.000 0.799 382 A HN 0.553 nan 8.150 nan 0.000 0.458 383 C N -1.862 117.451 119.300 0.021 0.000 2.590 383 C HA 0.463 4.923 4.460 -0.000 0.000 0.272 383 C C 1.735 176.738 174.990 0.021 0.000 1.338 383 C CA 0.242 59.274 59.018 0.023 0.000 1.746 383 C CB -0.827 26.933 27.740 0.033 0.000 2.020 383 C HN 1.117 nan 8.230 nan 0.000 0.531 384 G N 2.292 111.106 108.800 0.024 0.000 2.414 384 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.256 384 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.256 384 G C -0.568 174.351 174.900 0.033 0.000 1.128 384 G CA 0.102 45.215 45.100 0.023 0.000 0.944 384 G HN 0.450 nan 8.290 nan 0.000 0.500 385 N N 0.155 118.885 118.700 0.050 0.000 2.621 385 N HA 0.176 4.916 4.740 -0.000 0.000 0.271 385 N C 0.318 175.896 175.510 0.113 0.000 1.181 385 N CA -0.355 52.733 53.050 0.064 0.000 0.805 385 N CB 0.711 39.233 38.487 0.058 0.000 1.351 385 N HN 0.392 nan 8.380 nan 0.000 0.539 386 N N 1.310 120.077 118.700 0.113 0.000 2.236 386 N HA 0.008 4.748 4.740 -0.000 0.000 0.196 386 N C -0.152 175.467 175.510 0.181 0.000 1.114 386 N CA -0.135 53.032 53.050 0.195 0.000 0.859 386 N CB 0.740 39.306 38.487 0.131 0.000 0.982 386 N HN 0.518 nan 8.380 nan 0.000 0.493 387 E N 1.220 121.456 120.200 0.059 0.000 2.465 387 E HA -0.071 4.279 4.350 -0.000 0.000 0.260 387 E C 0.565 177.039 176.600 -0.210 0.000 0.980 387 E CA -0.213 56.167 56.400 -0.035 0.000 0.927 387 E CB 0.563 30.242 29.700 -0.035 0.000 0.934 387 E HN 0.111 nan 8.360 nan 0.000 0.459 388 R N 2.237 122.570 120.500 -0.278 0.000 2.387 388 R HA -0.067 4.273 4.340 -0.000 0.000 0.203 388 R C 0.913 176.940 176.300 -0.454 0.000 1.121 388 R CA 0.953 56.719 56.100 -0.557 0.000 1.129 388 R CB -0.392 29.742 30.300 -0.278 0.000 0.905 388 R HN 0.531 nan 8.270 nan 0.000 0.477 389 S N -3.290 112.227 115.700 -0.305 0.000 2.559 389 S HA 0.189 4.659 4.470 -0.000 0.000 0.226 389 S C 1.646 176.167 174.600 -0.132 0.000 1.030 389 S CA 0.092 58.185 58.200 -0.178 0.000 0.956 389 S CB 0.783 63.925 63.200 -0.097 0.000 0.900 389 S HN 0.194 nan 8.310 nan 0.000 0.510 390 A N 1.091 123.827 122.820 -0.141 0.000 1.935 390 A HA 0.386 4.706 4.320 -0.000 0.000 0.214 390 A C 0.809 178.429 177.584 0.061 0.000 1.178 390 A CA 0.554 52.585 52.037 -0.011 0.000 0.640 390 A CB -0.548 18.484 19.000 0.054 0.000 0.825 390 A HN 0.802 nan 8.150 nan 0.000 0.447 391 Y N -3.325 116.989 120.300 0.024 0.000 2.631 391 Y HA 0.768 5.317 4.550 -0.000 0.000 0.328 391 Y C -0.361 175.564 175.900 0.043 0.000 1.118 391 Y CA -1.932 56.186 58.100 0.029 0.000 1.206 391 Y CB 0.583 39.049 38.460 0.010 0.000 1.337 391 Y HN -0.074 nan 8.280 nan 0.000 0.515 392 V N 0.710 120.836 119.914 0.353 0.000 3.074 392 V HA 0.512 4.632 4.120 -0.000 0.000 0.314 392 V C -0.144 176.121 176.094 0.285 0.000 1.117 392 V CA -0.363 62.090 62.300 0.254 0.000 1.014 392 V CB 2.512 34.466 31.823 0.217 0.000 1.057 392 V HN 1.175 nan 8.190 nan 0.000 0.438 393 T N -0.278 114.405 114.554 0.216 0.000 2.828 393 T HA 0.129 4.479 4.350 -0.000 0.000 0.290 393 T C 1.220 176.034 174.700 0.190 0.000 1.019 393 T CA 0.543 62.754 62.100 0.184 0.000 1.031 393 T CB 0.976 69.934 68.868 0.150 0.000 1.001 393 T HN 0.734 nan 8.240 nan 0.000 0.531 394 T N 1.599 116.250 114.554 0.161 0.000 2.624 394 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 394 T C 1.964 176.795 174.700 0.217 0.000 1.041 394 T CA 2.027 64.233 62.100 0.177 0.000 1.159 394 T CB -0.409 68.555 68.868 0.161 0.000 0.863 394 T HN 0.885 nan 8.240 nan 0.000 0.434 395 E N 1.616 121.927 120.200 0.185 0.000 2.107 395 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 395 E C 1.955 178.641 176.600 0.144 0.000 0.982 395 E CA 1.007 57.503 56.400 0.160 0.000 0.809 395 E CB -0.514 29.272 29.700 0.144 0.000 0.756 395 E HN 0.593 nan 8.360 nan 0.000 0.459 396 E N 0.154 120.445 120.200 0.153 0.000 2.110 396 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 396 E C 1.782 178.467 176.600 0.143 0.000 0.988 396 E CA 1.024 57.502 56.400 0.130 0.000 0.804 396 E CB -0.298 29.482 29.700 0.133 0.000 0.745 396 E HN 0.217 nan 8.360 nan 0.000 0.458 397 F N 1.089 121.083 119.950 0.074 0.000 2.146 397 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 397 F C 1.847 177.685 175.800 0.064 0.000 1.096 397 F CA 1.139 59.182 58.000 0.071 0.000 1.275 397 F CB -0.088 38.959 39.000 0.079 0.000 1.008 397 F HN -0.088 nan 8.300 nan 0.000 0.480 398 L N -0.073 121.189 121.223 0.065 0.000 2.083 398 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 398 L C 2.178 179.001 176.870 -0.078 0.000 1.083 398 L CA 1.341 56.166 54.840 -0.024 0.000 0.752 398 L CB -0.782 41.330 42.059 0.088 0.000 0.899 398 L HN 0.105 nan 8.230 nan 0.000 0.433 399 D N 0.141 120.524 120.400 -0.028 0.000 2.117 399 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 399 D C 2.219 178.477 176.300 -0.070 0.000 0.987 399 D CA 1.535 55.521 54.000 -0.023 0.000 0.829 399 D CB 0.048 40.855 40.800 0.012 0.000 0.961 399 D HN 0.336 nan 8.370 nan 0.000 0.460 400 A N 0.798 123.544 122.820 -0.122 0.000 1.877 400 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 400 A C 2.577 180.040 177.584 -0.201 0.000 1.186 400 A CA 1.266 53.213 52.037 -0.149 0.000 0.620 400 A CB -0.772 18.128 19.000 -0.166 0.000 0.822 400 A HN 0.142 nan 8.150 nan 0.000 0.443 401 V N 0.047 119.759 119.914 -0.337 0.000 2.358 401 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 401 V C 2.500 178.504 176.094 -0.150 0.000 1.047 401 V CA 2.187 64.318 62.300 -0.282 0.000 1.035 401 V CB -0.699 30.904 31.823 -0.367 0.000 0.658 401 V HN 0.747 nan 8.190 nan 0.000 0.452 402 E N 0.560 120.696 120.200 -0.107 0.000 2.023 402 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 402 E C 2.304 178.901 176.600 -0.004 0.000 1.003 402 E CA 1.796 58.182 56.400 -0.024 0.000 0.809 402 E CB -0.089 29.613 29.700 0.003 0.000 0.755 402 E HN 0.571 nan 8.360 nan 0.000 0.449 403 K N 0.032 120.423 120.400 -0.016 0.000 2.044 403 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 403 K C 2.406 178.995 176.600 -0.019 0.000 1.049 403 K CA 1.678 57.965 56.287 0.001 0.000 0.927 403 K CB -0.229 32.267 32.500 -0.007 0.000 0.713 403 K HN -0.016 nan 8.250 nan 0.000 0.443 404 R N 1.359 121.827 120.500 -0.055 0.000 2.081 404 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 404 R C 2.161 178.406 176.300 -0.092 0.000 1.131 404 R CA 0.930 56.989 56.100 -0.068 0.000 0.960 404 R CB -0.395 29.854 30.300 -0.084 0.000 0.856 404 R HN 0.163 nan 8.270 nan 0.000 0.436 405 L N 0.456 121.610 121.223 -0.114 0.000 1.970 405 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 405 L C 2.319 179.072 176.870 -0.196 0.000 1.071 405 L CA 1.934 56.660 54.840 -0.191 0.000 0.751 405 L CB -0.444 41.490 42.059 -0.209 0.000 0.889 405 L HN 0.438 nan 8.230 nan 0.000 0.432 406 Q N -0.344 119.405 119.800 -0.085 0.000 2.118 406 Q HA -0.311 4.028 4.340 -0.000 0.000 0.211 406 Q C 2.159 178.127 176.000 -0.054 0.000 0.998 406 Q CA 2.099 57.879 55.803 -0.038 0.000 0.872 406 Q CB -0.193 28.620 28.738 0.125 0.000 0.925 406 Q HN 0.514 nan 8.270 nan 0.000 0.414 407 K N 0.880 121.258 120.400 -0.036 0.000 1.978 407 K HA -0.174 4.146 4.320 -0.000 0.000 0.214 407 K C 1.922 178.486 176.600 -0.061 0.000 1.049 407 K CA 1.409 57.678 56.287 -0.030 0.000 0.939 407 K CB -0.158 32.328 32.500 -0.024 0.000 0.721 407 K HN 0.231 nan 8.250 nan 0.000 0.441 408 E N 0.514 120.659 120.200 -0.091 0.000 2.463 408 E HA -0.131 4.219 4.350 -0.000 0.000 0.201 408 E C 1.685 178.207 176.600 -0.129 0.000 1.045 408 E CA 0.512 56.849 56.400 -0.105 0.000 0.872 408 E CB -0.045 29.581 29.700 -0.123 0.000 0.797 408 E HN 0.341 nan 8.360 nan 0.000 0.538 409 I N 0.497 120.968 120.570 -0.165 0.000 3.030 409 I HA -0.126 4.044 4.170 -0.000 0.000 0.270 409 I C 1.454 177.508 176.117 -0.104 0.000 1.211 409 I CA 0.452 61.640 61.300 -0.188 0.000 1.479 409 I CB 0.049 37.836 38.000 -0.356 0.000 1.105 409 I HN -0.094 nan 8.210 nan 0.000 0.447 410 K N 1.125 121.488 120.400 -0.062 0.000 2.643 410 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 410 K C 0.415 177.007 176.600 -0.013 0.000 1.027 410 K CA 0.217 56.498 56.287 -0.011 0.000 1.033 410 K CB -0.145 32.362 32.500 0.012 0.000 0.827 410 K HN 0.309 nan 8.250 nan 0.000 0.500 411 S N 0.000 115.680 115.700 -0.033 0.000 2.498 411 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 411 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 411 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 411 S HN 0.000 nan 8.310 nan 0.000 0.517