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 2min_1_C DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NXXXXXXXXX CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGVVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG HHIANDAVRD DATA SEQUENCE WVLGKRDEDT TFASTPYDVA IIGDYNIGGD AWSSRILLEE MGLRCVAQWS DATA SEQUENCE GDGSISEIEL TPKVKLNLVH CYRSMNYISR HMEEKYGIPW MEYNFFGPTK DATA SEQUENCE TIESLRAIAA KFDESIQKKC EEVIAKYKPE WEAVVAKYRP RLEGKRVMLY DATA SEQUENCE IGGLRPRHVI GAYEDLGMEV VGTGYEFAHN DDYDRTMKEM GDSTLLYDDV DATA SEQUENCE TGYEFEEFVK RIKPDLIGSG IKEKFIFQKM GIPFREMHSW DYSGPYHGFD DATA SEQUENCE GFAIFARDMD MTLNNPCWKK LQAPWEA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.591 174.600 -0.015 0.000 1.055 5 S CA 0.000 58.191 58.200 -0.014 0.000 1.107 5 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 6 R N 1.579 122.071 120.500 -0.014 0.000 2.136 6 R HA -0.176 4.165 4.340 0.002 0.000 0.242 6 R C 1.690 177.984 176.300 -0.010 0.000 1.131 6 R CA 2.853 58.944 56.100 -0.014 0.000 0.937 6 R CB -1.920 28.373 30.300 -0.011 0.000 0.863 6 R HN 0.922 nan 8.270 nan 0.000 0.435 7 E N -0.176 120.021 120.200 -0.005 0.000 2.085 7 E HA -0.219 4.132 4.350 0.002 0.000 0.194 7 E C 2.226 178.827 176.600 0.001 0.000 0.994 7 E CA 1.103 57.503 56.400 -0.000 0.000 0.801 7 E CB -0.118 29.583 29.700 0.001 0.000 0.743 7 E HN 0.732 nan 8.360 nan 0.000 0.453 8 E N 1.185 121.383 120.200 -0.003 0.000 2.058 8 E HA -0.185 4.167 4.350 0.002 0.000 0.194 8 E C 2.188 178.787 176.600 -0.003 0.000 0.997 8 E CA 1.364 57.763 56.400 -0.001 0.000 0.801 8 E CB 0.039 29.735 29.700 -0.006 0.000 0.746 8 E HN 0.139 nan 8.360 nan 0.000 0.450 9 V N 1.596 121.500 119.914 -0.016 0.000 2.358 9 V HA -0.210 3.911 4.120 0.002 0.000 0.246 9 V C 2.380 178.466 176.094 -0.015 0.000 1.047 9 V CA 2.048 64.328 62.300 -0.034 0.000 1.035 9 V CB -0.574 31.214 31.823 -0.058 0.000 0.658 9 V HN 0.247 nan 8.190 nan 0.000 0.452 10 E N 1.002 121.200 120.200 -0.002 0.000 2.077 10 E HA -0.190 4.162 4.350 0.002 0.000 0.193 10 E C 2.377 178.998 176.600 0.034 0.000 0.989 10 E CA 1.765 58.174 56.400 0.015 0.000 0.800 10 E CB -0.221 29.486 29.700 0.012 0.000 0.746 10 E HN 0.772 nan 8.360 nan 0.000 0.452 11 S N 1.155 116.873 115.700 0.029 0.000 2.428 11 S HA -0.066 4.405 4.470 0.002 0.000 0.230 11 S C 2.060 176.692 174.600 0.054 0.000 1.014 11 S CA 0.287 58.509 58.200 0.037 0.000 0.957 11 S CB -0.304 62.911 63.200 0.026 0.000 0.784 11 S HN 0.205 nan 8.310 nan 0.000 0.499 12 L N 1.094 122.352 121.223 0.058 0.000 2.012 12 L HA -0.066 4.276 4.340 0.002 0.000 0.210 12 L C 2.349 179.320 176.870 0.168 0.000 1.073 12 L CA 1.709 56.607 54.840 0.096 0.000 0.748 12 L CB -0.432 41.675 42.059 0.080 0.000 0.891 12 L HN 0.342 nan 8.230 nan 0.000 0.431 13 I N -0.171 120.496 120.570 0.160 0.000 2.179 13 I HA -0.358 3.813 4.170 0.002 0.000 0.242 13 I C 2.672 178.893 176.117 0.174 0.000 1.088 13 I CA 1.476 62.914 61.300 0.230 0.000 1.357 13 I CB -0.281 37.811 38.000 0.154 0.000 1.051 13 I HN 0.388 nan 8.210 nan 0.000 0.409 14 Q N 0.641 120.509 119.800 0.113 0.000 2.050 14 Q HA -0.235 4.106 4.340 0.002 0.000 0.202 14 Q C 2.043 178.087 176.000 0.074 0.000 0.980 14 Q CA 1.516 57.373 55.803 0.089 0.000 0.840 14 Q CB -0.382 28.394 28.738 0.063 0.000 0.898 14 Q HN 0.481 nan 8.270 nan 0.000 0.424 15 E N 0.518 120.759 120.200 0.067 0.000 2.048 15 E HA -0.224 4.127 4.350 0.002 0.000 0.202 15 E C 2.173 178.794 176.600 0.036 0.000 1.021 15 E CA 1.741 58.169 56.400 0.046 0.000 0.825 15 E CB -0.172 29.555 29.700 0.044 0.000 0.756 15 E HN 0.156 nan 8.360 nan 0.000 0.454 16 V N 1.670 121.612 119.914 0.047 0.000 2.332 16 V HA -0.271 3.850 4.120 0.002 0.000 0.248 16 V C 2.304 178.388 176.094 -0.016 0.000 1.055 16 V CA 1.439 63.740 62.300 0.002 0.000 1.038 16 V CB -0.412 31.369 31.823 -0.071 0.000 0.651 16 V HN 0.341 nan 8.190 nan 0.000 0.450 17 L N -0.541 120.685 121.223 0.006 0.000 2.275 17 L HA -0.146 4.195 4.340 0.002 0.000 0.215 17 L C 2.488 179.301 176.870 -0.096 0.000 1.119 17 L CA 1.247 56.062 54.840 -0.042 0.000 0.790 17 L CB -0.866 41.289 42.059 0.161 0.000 0.919 17 L HN 0.384 nan 8.230 nan 0.000 0.443 18 E N 0.109 120.281 120.200 -0.046 0.000 2.187 18 E HA -0.226 4.125 4.350 0.002 0.000 0.199 18 E C 2.166 178.711 176.600 -0.091 0.000 1.004 18 E CA 0.930 57.308 56.400 -0.036 0.000 0.813 18 E CB -0.345 29.347 29.700 -0.015 0.000 0.736 18 E HN 0.184 nan 8.360 nan 0.000 0.468 19 V N 0.013 119.796 119.914 -0.219 0.000 2.594 19 V HA -0.180 3.942 4.120 0.002 0.000 0.253 19 V C 0.056 176.024 176.094 -0.210 0.000 1.069 19 V CA 0.894 63.021 62.300 -0.289 0.000 1.082 19 V CB -0.270 31.234 31.823 -0.533 0.000 0.680 19 V HN 0.158 nan 8.190 nan 0.000 0.469 20 Y N 0.992 121.245 120.300 -0.079 0.000 2.336 20 Y HA 0.421 4.972 4.550 0.002 0.000 0.331 20 Y C -1.494 174.381 175.900 -0.041 0.000 1.211 20 Y CA -3.536 54.522 58.100 -0.070 0.000 1.346 20 Y CB -0.785 37.655 38.460 -0.034 0.000 1.271 20 Y HN 0.156 nan 8.280 nan 0.000 0.538 21 P HA 0.031 nan 4.420 nan 0.000 0.267 21 P C 0.391 177.735 177.300 0.074 0.000 1.200 21 P CA 0.086 63.228 63.100 0.070 0.000 0.772 21 P CB 0.704 32.424 31.700 0.033 0.000 0.855 22 E N 1.474 121.705 120.200 0.052 0.000 2.114 22 E HA -0.322 4.030 4.350 0.002 0.000 0.199 22 E C 1.718 178.339 176.600 0.035 0.000 1.008 22 E CA 1.674 58.103 56.400 0.049 0.000 0.810 22 E CB -0.149 29.572 29.700 0.034 0.000 0.739 22 E HN 0.383 nan 8.360 nan 0.000 0.456 23 K N 1.094 121.502 120.400 0.013 0.000 2.020 23 K HA -0.218 4.103 4.320 0.002 0.000 0.212 23 K C 1.918 178.500 176.600 -0.029 0.000 1.050 23 K CA 1.827 58.111 56.287 -0.005 0.000 0.929 23 K CB -0.477 32.014 32.500 -0.015 0.000 0.714 23 K HN 0.120 nan 8.250 nan 0.000 0.443 24 A N 0.729 123.507 122.820 -0.070 0.000 1.877 24 A HA -0.151 4.171 4.320 0.002 0.000 0.216 24 A C 2.306 179.794 177.584 -0.161 0.000 1.186 24 A CA 1.742 53.656 52.037 -0.204 0.000 0.620 24 A CB -0.682 18.098 19.000 -0.367 0.000 0.822 24 A HN 0.409 nan 8.150 nan 0.000 0.443 25 R N -0.099 120.425 120.500 0.040 0.000 2.094 25 R HA -0.171 4.171 4.340 0.002 0.000 0.239 25 R C 2.170 178.553 176.300 0.137 0.000 1.137 25 R CA 2.029 58.260 56.100 0.218 0.000 0.943 25 R CB -0.252 30.175 30.300 0.213 0.000 0.850 25 R HN 0.538 nan 8.270 nan 0.000 0.433 26 K N -0.333 120.116 120.400 0.082 0.000 2.097 26 K HA -0.165 4.156 4.320 0.002 0.000 0.205 26 K C 1.736 178.383 176.600 0.078 0.000 1.050 26 K CA 1.632 57.963 56.287 0.073 0.000 0.938 26 K CB -0.165 32.365 32.500 0.050 0.000 0.718 26 K HN 0.230 nan 8.250 nan 0.000 0.442 27 D N 0.531 120.968 120.400 0.061 0.000 2.123 27 D HA -0.101 4.540 4.640 0.002 0.000 0.200 27 D C 1.961 178.376 176.300 0.191 0.000 0.976 27 D CA 0.870 54.930 54.000 0.101 0.000 0.831 27 D CB 0.317 41.139 40.800 0.036 0.000 0.974 27 D HN -0.083 nan 8.370 nan 0.000 0.469 28 R N 0.498 121.062 120.500 0.107 0.000 2.148 28 R HA -0.047 4.294 4.340 0.002 0.000 0.227 28 R C 1.978 178.428 176.300 0.251 0.000 1.103 28 R CA 0.442 56.643 56.100 0.169 0.000 0.983 28 R CB -1.276 29.099 30.300 0.125 0.000 0.874 28 R HN 0.464 nan 8.270 nan 0.000 0.451 29 N N 1.245 120.066 118.700 0.202 0.000 2.223 29 N HA -0.142 4.599 4.740 0.002 0.000 0.185 29 N C 1.026 176.610 175.510 0.123 0.000 1.016 29 N CA 0.912 54.063 53.050 0.168 0.000 0.863 29 N CB 0.144 38.708 38.487 0.128 0.000 0.983 29 N HN 0.212 nan 8.380 nan 0.000 0.429 30 K N -0.660 119.802 120.400 0.104 0.000 2.439 30 K HA -0.081 4.241 4.320 0.002 0.000 0.197 30 K C 0.501 177.011 176.600 -0.150 0.000 1.041 30 K CA 0.777 57.048 56.287 -0.028 0.000 0.970 30 K CB 0.041 32.499 32.500 -0.069 0.000 0.773 30 K HN 0.383 nan 8.250 nan 0.000 0.479 31 H N -0.712 118.388 119.070 0.050 0.000 2.594 31 H HA 0.260 4.817 4.556 0.002 0.000 0.279 31 H C -0.543 174.849 175.328 0.106 0.000 1.042 31 H CA -0.033 56.048 56.048 0.055 0.000 1.177 31 H CB 0.419 30.236 29.762 0.091 0.000 1.524 31 H HN -0.107 nan 8.280 nan 0.000 0.537 32 L N 0.738 122.081 121.223 0.198 0.000 2.385 32 L HA 0.789 5.130 4.340 0.002 0.000 0.273 32 L C -0.597 176.328 176.870 0.091 0.000 0.990 32 L CA -0.975 53.989 54.840 0.207 0.000 0.821 32 L CB 2.013 44.252 42.059 0.300 0.000 1.279 32 L HN 0.057 nan 8.230 nan 0.000 0.412 33 A N 2.741 125.587 122.820 0.044 0.000 2.594 33 A HA 0.827 5.148 4.320 0.002 0.000 0.295 33 A C -1.335 176.237 177.584 -0.020 0.000 1.071 33 A CA -0.517 51.519 52.037 -0.000 0.000 0.685 33 A CB 1.992 20.973 19.000 -0.031 0.000 1.285 33 A HN 0.308 nan 8.150 nan 0.000 0.405 34 V N 3.472 123.373 119.914 -0.022 0.000 2.427 34 V HA 0.402 4.523 4.120 0.002 0.000 0.286 34 V C 0.177 176.258 176.094 -0.022 0.000 1.034 34 V CA -0.741 61.541 62.300 -0.030 0.000 0.893 34 V CB 1.369 33.176 31.823 -0.027 0.000 0.982 34 V HN 1.024 nan 8.190 nan 0.000 0.452 46 I N 1.971 122.446 120.570 -0.160 0.000 3.006 46 I HA 0.759 4.931 4.170 0.002 0.000 0.306 46 I C -1.349 174.585 176.117 -0.304 0.000 1.250 46 I CA -1.245 59.902 61.300 -0.254 0.000 0.996 46 I CB 2.227 40.008 38.000 -0.364 0.000 1.261 46 I HN 0.393 nan 8.210 nan 0.000 0.442 47 I N 2.160 122.498 120.570 -0.385 0.000 2.750 47 I HA 0.827 4.998 4.170 0.002 0.000 0.308 47 I C -0.518 175.387 176.117 -0.353 0.000 1.016 47 I CA -0.304 60.789 61.300 -0.346 0.000 1.098 47 I CB 2.013 39.823 38.000 -0.318 0.000 1.279 47 I HN 0.599 nan 8.210 nan 0.000 0.454 48 S N 1.269 116.903 115.700 -0.109 0.000 2.671 48 S HA 0.419 4.890 4.470 0.002 0.000 0.277 48 S C -0.160 174.516 174.600 0.126 0.000 1.165 48 S CA -0.548 57.715 58.200 0.106 0.000 0.822 48 S CB 1.323 64.652 63.200 0.215 0.000 1.150 48 S HN 1.081 nan 8.310 nan 0.000 0.479 49 N N 0.303 119.097 118.700 0.156 0.000 2.740 49 N HA -0.143 4.598 4.740 0.002 0.000 0.248 49 N C -0.812 174.725 175.510 0.045 0.000 1.062 49 N CA 0.535 53.606 53.050 0.035 0.000 0.704 49 N CB -0.601 37.744 38.487 -0.236 0.000 0.968 49 N HN 0.529 nan 8.380 nan 0.000 0.547 50 K N 0.552 121.029 120.400 0.128 0.000 2.303 50 K HA 0.408 4.730 4.320 0.002 0.000 0.233 50 K C 0.180 176.819 176.600 0.065 0.000 1.046 50 K CA -0.629 55.721 56.287 0.105 0.000 0.895 50 K CB 0.474 33.088 32.500 0.190 0.000 1.220 50 K HN 0.034 nan 8.250 nan 0.000 0.470 51 K N 1.119 121.543 120.400 0.041 0.000 2.436 51 K HA 0.127 4.448 4.320 0.002 0.000 0.275 51 K C 0.044 176.636 176.600 -0.014 0.000 0.999 51 K CA 0.141 56.438 56.287 0.018 0.000 0.980 51 K CB 0.160 32.669 32.500 0.013 0.000 0.919 51 K HN 0.422 nan 8.250 nan 0.000 0.484 52 S N 2.753 118.446 115.700 -0.011 0.000 2.564 52 S HA 0.050 4.521 4.470 0.002 0.000 0.278 52 S C 0.273 174.842 174.600 -0.051 0.000 1.333 52 S CA -0.634 57.545 58.200 -0.035 0.000 1.048 52 S CB 0.668 63.869 63.200 0.001 0.000 0.900 52 S HN 0.265 nan 8.310 nan 0.000 0.505 53 Q N 2.338 122.084 119.800 -0.090 0.000 2.313 53 Q HA 0.216 4.558 4.340 0.002 0.000 0.266 53 Q C -2.222 173.735 176.000 -0.073 0.000 0.989 53 Q CA -1.648 54.096 55.803 -0.098 0.000 0.890 53 Q CB 0.015 28.653 28.738 -0.167 0.000 1.200 53 Q HN 0.374 nan 8.270 nan 0.000 0.396 54 P HA 0.026 nan 4.420 nan 0.000 0.265 54 P C 0.421 177.695 177.300 -0.043 0.000 1.193 54 P CA 0.632 63.709 63.100 -0.039 0.000 0.765 54 P CB 0.467 32.149 31.700 -0.031 0.000 0.823 55 G N 2.179 110.963 108.800 -0.026 0.000 2.168 55 G HA2 -0.266 3.695 3.960 0.002 0.000 0.257 55 G HA3 -0.266 3.695 3.960 0.002 0.000 0.257 55 G C 0.447 175.337 174.900 -0.017 0.000 0.997 55 G CA 0.049 45.138 45.100 -0.020 0.000 0.708 55 G HN 0.525 nan 8.290 nan 0.000 0.520 56 L N -0.682 120.528 121.223 -0.021 0.000 2.769 56 L HA 0.480 4.821 4.340 0.002 0.000 0.240 56 L C 1.406 178.297 176.870 0.036 0.000 1.163 56 L CA 0.169 55.008 54.840 -0.002 0.000 0.962 56 L CB 0.168 42.190 42.059 -0.061 0.000 1.258 56 L HN 0.447 nan 8.230 nan 0.000 0.513 57 M N 1.607 121.225 119.600 0.030 0.000 2.981 57 M HA -0.158 4.323 4.480 0.002 0.000 0.176 57 M C -0.164 176.171 176.300 0.057 0.000 1.201 57 M CA 0.071 55.397 55.300 0.043 0.000 0.743 57 M CB -0.821 31.810 32.600 0.052 0.000 1.223 57 M HN 0.271 nan 8.290 nan 0.000 0.747 58 T N 2.023 116.609 114.554 0.054 0.000 2.903 58 T HA 0.202 4.554 4.350 0.002 0.000 0.314 58 T C 1.337 176.103 174.700 0.110 0.000 1.078 58 T CA -0.176 61.972 62.100 0.079 0.000 1.114 58 T CB 0.952 69.866 68.868 0.078 0.000 0.987 58 T HN 0.571 nan 8.240 nan 0.000 0.548 59 I N -0.151 120.522 120.570 0.171 0.000 3.645 59 I HA 0.090 4.262 4.170 0.002 0.000 0.300 59 I C 1.478 177.720 176.117 0.208 0.000 1.260 59 I CA -0.037 61.390 61.300 0.212 0.000 1.365 59 I CB 0.046 38.254 38.000 0.346 0.000 1.077 59 I HN 0.411 nan 8.210 nan 0.000 0.439 60 R N 1.324 121.951 120.500 0.210 0.000 2.697 60 R HA 0.159 4.500 4.340 0.002 0.000 0.265 60 R C 0.583 176.960 176.300 0.130 0.000 1.009 60 R CA 0.426 56.646 56.100 0.200 0.000 1.099 60 R CB 0.335 30.746 30.300 0.185 0.000 0.965 60 R HN 0.204 nan 8.270 nan 0.000 0.428 61 G N 0.527 109.394 108.800 0.111 0.000 2.857 61 G HA2 0.442 4.403 3.960 0.002 0.000 0.217 61 G HA3 0.442 4.403 3.960 0.002 0.000 0.217 61 G C -0.484 174.425 174.900 0.016 0.000 1.357 61 G CA -0.450 44.683 45.100 0.056 0.000 1.033 61 G HN 0.825 nan 8.290 nan 0.000 0.571 62 C N -3.216 116.084 119.300 -0.000 0.000 2.710 62 C HA 0.833 5.294 4.460 0.002 0.000 0.367 62 C C 2.037 176.979 174.990 -0.080 0.000 1.315 62 C CA 0.167 59.172 59.018 -0.021 0.000 1.764 62 C CB 1.250 29.004 27.740 0.023 0.000 2.182 62 C HN 1.048 nan 8.230 nan 0.000 0.491 63 A N -0.465 122.297 122.820 -0.096 0.000 1.972 63 A HA -0.081 4.241 4.320 0.002 0.000 0.219 63 A C 1.871 179.398 177.584 -0.096 0.000 1.169 63 A CA 1.922 53.873 52.037 -0.143 0.000 0.635 63 A CB -1.062 17.841 19.000 -0.161 0.000 0.810 63 A HN 1.226 nan 8.150 nan 0.000 0.446 64 Y N 0.559 120.772 120.300 -0.146 0.000 2.200 64 Y HA -0.014 4.538 4.550 0.002 0.000 0.290 64 Y C 2.506 178.352 175.900 -0.090 0.000 1.137 64 Y CA 1.111 59.142 58.100 -0.115 0.000 1.163 64 Y CB -0.513 37.888 38.460 -0.099 0.000 0.988 64 Y HN 0.284 nan 8.280 nan 0.000 0.518 65 A N 0.503 123.315 122.820 -0.013 0.000 1.908 65 A HA -0.123 4.198 4.320 0.002 0.000 0.218 65 A C 2.452 179.912 177.584 -0.207 0.000 1.181 65 A CA 1.803 53.778 52.037 -0.102 0.000 0.627 65 A CB -1.731 17.265 19.000 -0.007 0.000 0.818 65 A HN 0.623 nan 8.150 nan 0.000 0.445 66 G N -1.360 107.294 108.800 -0.243 0.000 2.408 66 G HA2 -0.102 3.859 3.960 0.002 0.000 0.217 66 G HA3 -0.102 3.859 3.960 0.002 0.000 0.217 66 G C 1.893 176.717 174.900 -0.127 0.000 1.150 66 G CA 1.519 46.442 45.100 -0.295 0.000 0.776 66 G HN 0.575 nan 8.290 nan 0.000 0.542 67 S N -0.660 114.952 115.700 -0.148 0.000 2.339 67 S HA 0.055 4.526 4.470 0.002 0.000 0.213 67 S C 2.236 176.791 174.600 -0.076 0.000 1.033 67 S CA 1.338 59.521 58.200 -0.028 0.000 0.950 67 S CB -0.214 62.953 63.200 -0.055 0.000 0.893 67 S HN 0.203 nan 8.310 nan 0.000 0.492 68 K N 0.767 120.947 120.400 -0.366 0.000 2.007 68 K HA 0.030 4.352 4.320 0.002 0.000 0.206 68 K C 2.177 178.586 176.600 -0.319 0.000 1.047 68 K CA 1.532 57.563 56.287 -0.427 0.000 0.937 68 K CB -1.275 30.701 32.500 -0.874 0.000 0.718 68 K HN 0.421 nan 8.250 nan 0.000 0.438 69 G N 0.998 109.574 108.800 -0.374 0.000 2.446 69 G HA2 -0.226 3.735 3.960 0.002 0.000 0.217 69 G HA3 -0.226 3.735 3.960 0.002 0.000 0.217 69 G C 1.527 176.330 174.900 -0.161 0.000 1.168 69 G CA 1.561 46.541 45.100 -0.199 0.000 0.771 69 G HN 0.357 nan 8.290 nan 0.000 0.551 70 V N -1.900 117.903 119.914 -0.184 0.000 2.806 70 V HA 0.182 4.303 4.120 0.002 0.000 0.239 70 V C 2.499 178.419 176.094 -0.291 0.000 1.113 70 V CA 1.261 63.389 62.300 -0.287 0.000 1.137 70 V CB -0.052 31.569 31.823 -0.337 0.000 0.865 70 V HN 0.084 nan 8.190 nan 0.000 0.482 71 V N -0.491 119.344 119.914 -0.132 0.000 2.331 71 V HA -0.041 4.081 4.120 0.002 0.000 0.242 71 V C 2.238 178.216 176.094 -0.192 0.000 1.034 71 V CA 2.511 64.763 62.300 -0.081 0.000 1.027 71 V CB -0.675 31.103 31.823 -0.075 0.000 0.667 71 V HN 0.661 nan 8.190 nan 0.000 0.457 72 W N 0.509 121.681 121.300 -0.213 0.000 2.480 72 W HA 0.195 4.856 4.660 0.002 0.000 0.299 72 W C 2.565 178.689 176.519 -0.660 0.000 1.187 72 W CA 1.126 58.231 57.345 -0.399 0.000 1.347 72 W CB -1.138 28.044 29.460 -0.463 0.000 1.121 72 W HN 0.278 nan 8.180 nan 0.000 0.533 73 G N 1.500 110.121 108.800 -0.298 0.000 2.679 73 G HA2 -0.322 3.639 3.960 0.002 0.000 0.222 73 G HA3 -0.322 3.639 3.960 0.002 0.000 0.222 73 G C -0.786 174.106 174.900 -0.013 0.000 1.164 73 G CA 1.653 46.645 45.100 -0.181 0.000 0.769 73 G HN 0.162 nan 8.290 nan 0.000 0.610 74 P HA -0.007 nan 4.420 nan 0.000 0.219 74 P C 0.771 178.091 177.300 0.032 0.000 1.146 74 P CA 0.588 63.709 63.100 0.036 0.000 0.808 74 P CB -0.022 31.731 31.700 0.088 0.000 0.779 75 I N 1.296 121.911 120.570 0.075 0.000 2.671 75 I HA -0.082 4.090 4.170 0.002 0.000 0.285 75 I C 1.845 178.048 176.117 0.143 0.000 1.148 75 I CA 0.245 61.600 61.300 0.093 0.000 1.386 75 I CB 0.381 38.453 38.000 0.119 0.000 1.406 75 I HN 0.078 nan 8.210 nan 0.000 0.540 76 K N 4.446 124.848 120.400 0.005 0.000 2.155 76 K HA -0.132 4.189 4.320 0.002 0.000 0.203 76 K C 0.715 177.302 176.600 -0.021 0.000 1.052 76 K CA 1.253 57.475 56.287 -0.107 0.000 0.948 76 K CB -0.025 32.402 32.500 -0.122 0.000 0.728 76 K HN 0.639 nan 8.250 nan 0.000 0.448 77 D N 0.152 120.583 120.400 0.052 0.000 2.340 77 D HA 0.091 4.733 4.640 0.002 0.000 0.217 77 D C 0.492 176.909 176.300 0.195 0.000 1.081 77 D CA 0.055 54.138 54.000 0.139 0.000 0.842 77 D CB 0.028 40.883 40.800 0.091 0.000 0.934 77 D HN 0.206 nan 8.370 nan 0.000 0.511 78 M N 0.161 119.788 119.600 0.045 0.000 2.573 78 M HA 0.432 4.913 4.480 0.002 0.000 0.309 78 M C -0.260 175.734 176.300 -0.510 0.000 1.202 78 M CA -0.845 54.352 55.300 -0.171 0.000 0.975 78 M CB 2.333 34.875 32.600 -0.097 0.000 1.600 78 M HN -0.239 nan 8.290 nan 0.000 0.479 79 I N 1.144 121.263 120.570 -0.752 0.000 2.377 79 I HA 0.261 4.432 4.170 0.002 0.000 0.293 79 I C -0.774 174.849 176.117 -0.824 0.000 0.987 79 I CA -0.732 59.942 61.300 -1.043 0.000 1.185 79 I CB 1.077 38.224 38.000 -1.421 0.000 1.341 79 I HN 0.501 nan 8.210 nan 0.000 0.455 80 H N 6.845 125.741 119.070 -0.291 0.000 2.551 80 H HA 0.398 4.955 4.556 0.002 0.000 0.321 80 H C -0.463 174.804 175.328 -0.100 0.000 1.028 80 H CA -0.708 55.239 56.048 -0.168 0.000 1.215 80 H CB 1.524 31.256 29.762 -0.051 0.000 1.414 80 H HN 0.250 nan 8.280 nan 0.000 0.480 81 I N 2.491 123.035 120.570 -0.044 0.000 2.325 81 I HA 0.047 4.219 4.170 0.002 0.000 0.291 81 I C 0.711 176.869 176.117 0.069 0.000 1.019 81 I CA -0.252 61.053 61.300 0.008 0.000 1.302 81 I CB 0.665 38.613 38.000 -0.087 0.000 1.401 81 I HN 0.323 nan 8.210 nan 0.000 0.485 82 S N 5.893 121.673 115.700 0.133 0.000 2.416 82 S HA 0.107 4.578 4.470 0.002 0.000 0.302 82 S C -0.062 174.586 174.600 0.079 0.000 1.120 82 S CA -0.151 58.144 58.200 0.158 0.000 1.067 82 S CB -0.460 62.847 63.200 0.178 0.000 1.057 82 S HN 0.428 nan 8.310 nan 0.000 0.518 83 H N 2.393 121.407 119.070 -0.094 0.000 2.594 83 H HA 0.649 5.206 4.556 0.002 0.000 0.304 83 H C 0.480 175.539 175.328 -0.449 0.000 1.068 83 H CA 0.909 56.837 56.048 -0.199 0.000 1.308 83 H CB 0.090 29.767 29.762 -0.142 0.000 1.409 83 H HN 0.809 nan 8.280 nan 0.000 0.460 84 G N 4.154 112.465 108.800 -0.815 0.000 2.320 84 G HA2 -0.040 3.921 3.960 0.002 0.000 0.274 84 G HA3 -0.040 3.921 3.960 0.002 0.000 0.274 84 G C -2.898 171.695 174.900 -0.513 0.000 1.324 84 G CA -0.943 43.480 45.100 -1.128 0.000 0.957 84 G HN 0.496 nan 8.290 nan 0.000 0.481 85 P HA 0.281 nan 4.420 nan 0.000 0.272 85 P C 1.102 178.335 177.300 -0.111 0.000 1.248 85 P CA -0.081 62.969 63.100 -0.083 0.000 0.799 85 P CB 0.838 32.504 31.700 -0.057 0.000 0.997 86 V N 0.752 120.617 119.914 -0.082 0.000 2.871 86 V HA -0.056 4.066 4.120 0.002 0.000 0.256 86 V C 2.007 177.957 176.094 -0.240 0.000 1.082 86 V CA 2.387 64.612 62.300 -0.124 0.000 1.105 86 V CB -1.381 30.389 31.823 -0.088 0.000 0.713 86 V HN 0.723 nan 8.190 nan 0.000 0.473 87 G N -0.265 108.389 108.800 -0.244 0.000 2.587 87 G HA2 -0.321 3.641 3.960 0.002 0.000 0.217 87 G HA3 -0.321 3.641 3.960 0.002 0.000 0.217 87 G C 1.761 176.330 174.900 -0.551 0.000 1.240 87 G CA 1.503 46.333 45.100 -0.450 0.000 0.794 87 G HN 0.566 nan 8.290 nan 0.000 0.580 88 C N 1.004 120.155 119.300 -0.248 0.000 2.376 88 C HA -0.018 4.443 4.460 0.002 0.000 0.275 88 C C 3.242 178.163 174.990 -0.114 0.000 1.200 88 C CA 0.741 59.613 59.018 -0.244 0.000 1.756 88 C CB -1.514 25.767 27.740 -0.766 0.000 2.050 88 C HN 0.532 nan 8.230 nan 0.000 0.460 89 G N -0.498 108.234 108.800 -0.114 0.000 2.422 89 G HA2 -0.265 3.697 3.960 0.002 0.000 0.218 89 G HA3 -0.265 3.697 3.960 0.002 0.000 0.218 89 G C 1.572 176.453 174.900 -0.032 0.000 1.146 89 G CA 1.260 46.382 45.100 0.037 0.000 0.769 89 G HN 0.593 nan 8.290 nan 0.000 0.547 90 Q N -0.410 119.272 119.800 -0.196 0.000 2.079 90 Q HA -0.057 4.284 4.340 0.002 0.000 0.200 90 Q C 2.213 178.117 176.000 -0.161 0.000 0.974 90 Q CA 1.288 56.951 55.803 -0.233 0.000 0.840 90 Q CB -0.402 28.101 28.738 -0.392 0.000 0.898 90 Q HN 0.573 nan 8.270 nan 0.000 0.430 91 Y N -0.228 120.094 120.300 0.037 0.000 2.352 91 Y HA -0.024 4.527 4.550 0.002 0.000 0.292 91 Y C 2.411 178.355 175.900 0.073 0.000 1.136 91 Y CA 1.118 59.246 58.100 0.047 0.000 1.227 91 Y CB -0.540 37.941 38.460 0.036 0.000 0.991 91 Y HN 0.281 nan 8.280 nan 0.000 0.545 92 S N -0.705 115.120 115.700 0.209 0.000 2.548 92 S HA 0.055 4.527 4.470 0.002 0.000 0.215 92 S C 1.034 175.710 174.600 0.127 0.000 0.976 92 S CA -0.449 57.860 58.200 0.181 0.000 0.908 92 S CB -0.116 63.225 63.200 0.234 0.000 0.781 92 S HN 0.143 nan 8.310 nan 0.000 0.519 93 R N 2.128 122.687 120.500 0.098 0.000 2.483 93 R HA 0.164 4.506 4.340 0.002 0.000 0.329 93 R C 0.719 177.073 176.300 0.090 0.000 0.961 93 R CA 0.931 57.077 56.100 0.076 0.000 1.041 93 R CB -0.654 29.667 30.300 0.035 0.000 0.930 93 R HN 0.614 nan 8.270 nan 0.000 0.413 94 A N 3.221 126.103 122.820 0.104 0.000 2.783 94 A HA -0.220 4.101 4.320 0.002 0.000 0.292 94 A C 1.269 178.929 177.584 0.127 0.000 1.495 94 A CA 1.259 53.370 52.037 0.123 0.000 0.787 94 A CB -1.888 17.181 19.000 0.115 0.000 1.017 94 A HN 0.921 nan 8.150 nan 0.000 0.516 95 G N -1.158 107.713 108.800 0.118 0.000 2.426 95 G HA2 0.209 4.170 3.960 0.002 0.000 0.214 95 G HA3 0.209 4.170 3.960 0.002 0.000 0.214 95 G C 0.728 175.697 174.900 0.115 0.000 1.156 95 G CA 0.754 45.925 45.100 0.120 0.000 0.802 95 G HN 0.764 nan 8.290 nan 0.000 0.534 96 R N 0.470 121.026 120.500 0.093 0.000 2.368 96 R HA 0.401 4.742 4.340 0.002 0.000 0.302 96 R C -0.065 176.296 176.300 0.101 0.000 1.002 96 R CA -0.649 55.489 56.100 0.062 0.000 0.929 96 R CB 0.666 30.976 30.300 0.018 0.000 1.073 96 R HN -0.012 nan 8.270 nan 0.000 0.464 97 R N 3.550 124.087 120.500 0.062 0.000 4.680 97 R HA 0.068 4.409 4.340 0.002 0.000 0.222 97 R C -0.453 175.860 176.300 0.022 0.000 1.803 97 R CA -0.105 56.055 56.100 0.101 0.000 1.560 97 R CB -0.390 29.898 30.300 -0.020 0.000 1.412 97 R HN 0.593 nan 8.270 nan 0.000 0.815 98 N N 1.224 120.014 118.700 0.150 0.000 2.663 98 N HA 0.013 4.754 4.740 0.002 0.000 0.250 98 N C -0.678 175.032 175.510 0.334 0.000 1.129 98 N CA -0.269 52.865 53.050 0.140 0.000 0.995 98 N CB 0.427 38.991 38.487 0.129 0.000 1.324 98 N HN 0.032 nan 8.380 nan 0.000 0.512 99 Y N 2.207 122.492 120.300 -0.026 0.000 2.480 99 Y HA 0.070 4.621 4.550 0.002 0.000 0.338 99 Y C 0.360 176.291 175.900 0.052 0.000 1.220 99 Y CA -0.709 57.371 58.100 -0.034 0.000 1.430 99 Y CB 0.067 38.367 38.460 -0.267 0.000 1.311 99 Y HN 0.485 nan 8.280 nan 0.000 0.575 100 Y N -0.018 120.414 120.300 0.219 0.000 2.609 100 Y HA 0.654 5.205 4.550 0.002 0.000 0.336 100 Y C -1.810 174.308 175.900 0.363 0.000 1.129 100 Y CA -1.979 56.317 58.100 0.327 0.000 1.040 100 Y CB 0.764 39.331 38.460 0.177 0.000 1.310 100 Y HN 0.223 nan 8.280 nan 0.000 0.460 101 I N 2.650 123.429 120.570 0.350 0.000 2.321 101 I HA 0.805 4.976 4.170 0.002 0.000 0.291 101 I C 0.396 176.608 176.117 0.157 0.000 0.998 101 I CA -0.196 61.164 61.300 0.101 0.000 1.227 101 I CB 0.596 38.626 38.000 0.051 0.000 1.368 101 I HN 0.987 nan 8.210 nan 0.000 0.466 102 G N 4.106 112.945 108.800 0.065 0.000 2.356 102 G HA2 0.348 4.310 3.960 0.002 0.000 0.294 102 G HA3 0.348 4.310 3.960 0.002 0.000 0.294 102 G C -1.416 173.508 174.900 0.041 0.000 1.423 102 G CA -0.502 44.668 45.100 0.116 0.000 0.806 102 G HN 0.310 nan 8.290 nan 0.000 0.527 103 T N 1.976 116.537 114.554 0.012 0.000 2.929 103 T HA 0.491 4.842 4.350 0.002 0.000 0.331 103 T C 0.363 175.046 174.700 -0.029 0.000 1.120 103 T CA -0.134 61.963 62.100 -0.006 0.000 0.973 103 T CB 0.538 69.401 68.868 -0.009 0.000 1.036 103 T HN 0.582 nan 8.240 nan 0.000 0.502 104 T N 2.571 117.144 114.554 0.031 0.000 2.902 104 T HA 0.390 4.742 4.350 0.002 0.000 0.301 104 T C 1.582 176.316 174.700 0.057 0.000 1.012 104 T CA 0.826 62.949 62.100 0.039 0.000 1.151 104 T CB 0.522 69.480 68.868 0.149 0.000 0.946 104 T HN 0.916 nan 8.240 nan 0.000 0.542 105 G N 1.490 110.346 108.800 0.093 0.000 2.241 105 G HA2 -0.314 3.647 3.960 0.002 0.000 0.244 105 G HA3 -0.314 3.647 3.960 0.002 0.000 0.244 105 G C 0.901 176.065 174.900 0.439 0.000 0.998 105 G CA 0.776 46.106 45.100 0.383 0.000 0.621 105 G HN 1.169 nan 8.290 nan 0.000 0.519 106 V N -1.006 118.984 119.914 0.128 0.000 2.948 106 V HA 0.429 4.550 4.120 0.002 0.000 0.234 106 V C 1.501 177.628 176.094 0.054 0.000 1.205 106 V CA 1.908 64.318 62.300 0.182 0.000 1.234 106 V CB 0.188 32.070 31.823 0.099 0.000 1.020 106 V HN 0.803 nan 8.190 nan 0.000 0.491 107 N N 0.767 119.325 118.700 -0.236 0.000 2.193 107 N HA 0.524 5.266 4.740 0.002 0.000 0.210 107 N C 0.149 175.281 175.510 -0.629 0.000 1.215 107 N CA 0.511 53.417 53.050 -0.239 0.000 0.901 107 N CB 1.045 39.500 38.487 -0.053 0.000 1.060 107 N HN 0.781 nan 8.380 nan 0.000 0.508 108 A N -0.196 122.111 122.820 -0.855 0.000 2.374 108 A HA 0.694 5.015 4.320 0.002 0.000 0.317 108 A C -1.288 175.697 177.584 -0.999 0.000 1.094 108 A CA -0.642 50.975 52.037 -0.700 0.000 0.765 108 A CB 0.757 19.722 19.000 -0.057 0.000 1.268 108 A HN 0.269 nan 8.150 nan 0.000 0.438 109 F N 1.211 121.135 119.950 -0.044 0.000 2.936 109 F HA 0.158 4.686 4.527 0.002 0.000 0.334 109 F C 1.325 177.125 175.800 -0.000 0.000 1.170 109 F CA -0.135 57.881 58.000 0.026 0.000 1.104 109 F CB 0.098 39.083 39.000 -0.024 0.000 1.216 109 F HN 0.312 nan 8.300 nan 0.000 0.518 110 V N 0.129 119.961 119.914 -0.136 0.000 2.343 110 V HA -0.257 3.865 4.120 0.002 0.000 0.247 110 V C 2.305 178.452 176.094 0.089 0.000 1.051 110 V CA 2.717 64.947 62.300 -0.118 0.000 1.036 110 V CB -1.041 30.432 31.823 -0.584 0.000 0.654 110 V HN 0.544 nan 8.190 nan 0.000 0.451 111 T N -2.757 111.898 114.554 0.168 0.000 3.148 111 T HA 0.257 4.609 4.350 0.002 0.000 0.253 111 T C 0.508 175.267 174.700 0.098 0.000 1.134 111 T CA 0.158 62.356 62.100 0.165 0.000 1.051 111 T CB -0.291 68.698 68.868 0.202 0.000 0.959 111 T HN 0.283 nan 8.240 nan 0.000 0.525 112 M N 2.306 121.956 119.600 0.083 0.000 2.288 112 M HA 0.389 4.870 4.480 0.002 0.000 0.334 112 M C 0.028 176.248 176.300 -0.133 0.000 1.150 112 M CA -0.742 54.508 55.300 -0.082 0.000 1.118 112 M CB 0.733 33.207 32.600 -0.209 0.000 1.501 112 M HN -0.049 nan 8.290 nan 0.000 0.462 113 N N 1.950 120.482 118.700 -0.280 0.000 2.511 113 N HA 0.368 5.109 4.740 0.002 0.000 0.249 113 N C -2.070 173.240 175.510 -0.333 0.000 0.971 113 N CA -0.245 52.701 53.050 -0.173 0.000 0.938 113 N CB 0.337 38.765 38.487 -0.099 0.000 1.131 113 N HN 0.374 nan 8.380 nan 0.000 0.505 114 F N 1.403 121.324 119.950 -0.048 0.000 2.410 114 F HA 0.456 4.985 4.527 0.002 0.000 0.349 114 F C 1.177 176.959 175.800 -0.030 0.000 1.117 114 F CA -0.386 57.569 58.000 -0.074 0.000 1.104 114 F CB 1.912 40.816 39.000 -0.160 0.000 1.122 114 F HN 0.227 nan 8.300 nan 0.000 0.483 115 T N 0.054 114.680 114.554 0.120 0.000 2.900 115 T HA 0.327 4.678 4.350 0.002 0.000 0.303 115 T C 0.348 175.120 174.700 0.120 0.000 1.142 115 T CA -0.478 61.678 62.100 0.093 0.000 1.007 115 T CB 1.322 70.208 68.868 0.029 0.000 1.156 115 T HN 0.542 nan 8.240 nan 0.000 0.490 116 S N 1.860 117.662 115.700 0.169 0.000 2.605 116 S HA 0.157 4.628 4.470 0.002 0.000 0.217 116 S C 0.554 175.328 174.600 0.290 0.000 0.958 116 S CA 0.413 58.774 58.200 0.267 0.000 0.919 116 S CB -0.570 62.936 63.200 0.509 0.000 0.780 116 S HN 0.922 nan 8.310 nan 0.000 0.507 117 D N 1.433 121.937 120.400 0.173 0.000 2.956 117 D HA -0.216 4.426 4.640 0.002 0.000 0.206 117 D C -1.013 175.417 176.300 0.216 0.000 1.269 117 D CA 0.323 54.403 54.000 0.134 0.000 0.694 117 D CB -1.696 39.143 40.800 0.066 0.000 0.910 117 D HN 0.302 nan 8.370 nan 0.000 0.389 118 F N 1.366 121.294 119.950 -0.036 0.000 2.612 118 F HA 0.096 4.624 4.527 0.002 0.000 0.389 118 F C 1.504 177.280 175.800 -0.041 0.000 1.055 118 F CA 0.199 58.174 58.000 -0.043 0.000 1.232 118 F CB 0.407 39.367 39.000 -0.067 0.000 1.044 118 F HN 0.186 nan 8.300 nan 0.000 0.560 119 Q N 2.073 121.881 119.800 0.015 0.000 2.293 119 Q HA 0.164 4.505 4.340 0.002 0.000 0.216 119 Q C 1.376 177.342 176.000 -0.056 0.000 1.003 119 Q CA -0.551 55.238 55.803 -0.023 0.000 0.995 119 Q CB 0.539 29.238 28.738 -0.064 0.000 1.172 119 Q HN 0.699 nan 8.270 nan 0.000 0.518 120 E N 0.641 120.810 120.200 -0.052 0.000 2.150 120 E HA -0.182 4.169 4.350 0.002 0.000 0.193 120 E C 1.406 177.950 176.600 -0.094 0.000 0.985 120 E CA 1.360 57.732 56.400 -0.047 0.000 0.814 120 E CB 0.198 29.879 29.700 -0.033 0.000 0.752 120 E HN 0.495 nan 8.360 nan 0.000 0.466 121 K N 0.191 120.488 120.400 -0.172 0.000 2.209 121 K HA -0.172 4.150 4.320 0.002 0.000 0.204 121 K C 1.146 177.591 176.600 -0.258 0.000 1.048 121 K CA 1.631 57.744 56.287 -0.289 0.000 0.940 121 K CB -0.001 32.264 32.500 -0.392 0.000 0.729 121 K HN 0.112 nan 8.250 nan 0.000 0.451 122 D N 1.256 121.473 120.400 -0.305 0.000 2.194 122 D HA -0.032 4.610 4.640 0.002 0.000 0.204 122 D C 2.056 178.185 176.300 -0.286 0.000 0.964 122 D CA 0.652 54.367 54.000 -0.474 0.000 0.846 122 D CB 0.069 40.190 40.800 -1.132 0.000 0.962 122 D HN 0.179 nan 8.370 nan 0.000 0.490 123 I N 1.071 121.578 120.570 -0.105 0.000 2.252 123 I HA -0.152 4.019 4.170 0.002 0.000 0.245 123 I C 2.478 178.636 176.117 0.068 0.000 1.102 123 I CA 0.693 62.024 61.300 0.051 0.000 1.385 123 I CB -0.671 37.375 38.000 0.076 0.000 1.064 123 I HN -0.112 nan 8.210 nan 0.000 0.414 124 V N -0.016 119.954 119.914 0.094 0.000 2.346 124 V HA -0.170 3.951 4.120 0.002 0.000 0.244 124 V C 2.101 178.368 176.094 0.288 0.000 1.037 124 V CA 1.518 63.931 62.300 0.189 0.000 1.029 124 V CB -0.499 31.473 31.823 0.248 0.000 0.663 124 V HN 0.151 nan 8.190 nan 0.000 0.454 125 F N 0.376 120.286 119.950 -0.066 0.000 2.698 125 F HA 0.546 5.074 4.527 0.002 0.000 0.295 125 F C 1.333 177.099 175.800 -0.058 0.000 1.124 125 F CA 0.313 58.278 58.000 -0.058 0.000 1.426 125 F CB -0.368 38.592 39.000 -0.067 0.000 1.120 125 F HN 0.270 nan 8.300 nan 0.000 0.583 126 G N -0.466 108.397 108.800 0.104 0.000 2.650 126 G HA2 0.146 4.107 3.960 0.002 0.000 0.686 126 G HA3 0.146 4.107 3.960 0.002 0.000 0.686 126 G C 0.526 175.407 174.900 -0.033 0.000 1.205 126 G CA -0.606 44.523 45.100 0.049 0.000 0.781 126 G HN 0.508 nan 8.290 nan 0.000 0.648 127 G N -0.732 108.070 108.800 0.004 0.000 3.434 127 G HA2 0.396 4.357 3.960 0.002 0.000 0.258 127 G HA3 0.396 4.357 3.960 0.002 0.000 0.258 127 G C 0.796 175.806 174.900 0.184 0.000 1.128 127 G CA 1.119 46.207 45.100 -0.020 0.000 0.792 127 G HN 0.612 nan 8.290 nan 0.000 0.539 128 D N 1.049 121.531 120.400 0.136 0.000 2.183 128 D HA -0.036 4.605 4.640 0.002 0.000 0.203 128 D C 2.197 178.530 176.300 0.056 0.000 0.969 128 D CA 0.737 54.801 54.000 0.108 0.000 0.842 128 D CB 0.244 41.092 40.800 0.079 0.000 0.957 128 D HN 0.282 nan 8.370 nan 0.000 0.484 129 K N 0.753 121.178 120.400 0.041 0.000 2.103 129 K HA -0.070 4.251 4.320 0.002 0.000 0.204 129 K C 2.071 178.680 176.600 0.014 0.000 1.052 129 K CA 0.492 56.792 56.287 0.022 0.000 0.945 129 K CB 0.116 32.629 32.500 0.021 0.000 0.722 129 K HN -0.004 nan 8.250 nan 0.000 0.443 130 K N 1.467 121.877 120.400 0.017 0.000 2.057 130 K HA -0.085 4.236 4.320 0.002 0.000 0.207 130 K C 2.138 178.761 176.600 0.039 0.000 1.049 130 K CA 0.782 57.080 56.287 0.019 0.000 0.931 130 K CB -0.027 32.471 32.500 -0.004 0.000 0.714 130 K HN 0.081 nan 8.250 nan 0.000 0.440 131 L N 0.504 121.758 121.223 0.052 0.000 2.012 131 L HA -0.219 4.123 4.340 0.002 0.000 0.210 131 L C 2.426 179.258 176.870 -0.063 0.000 1.073 131 L CA 1.600 56.406 54.840 -0.057 0.000 0.748 131 L CB -0.505 41.459 42.059 -0.159 0.000 0.891 131 L HN 0.316 nan 8.230 nan 0.000 0.431 132 A N -0.605 122.193 122.820 -0.035 0.000 1.883 132 A HA -0.244 4.077 4.320 0.002 0.000 0.217 132 A C 2.331 179.900 177.584 -0.026 0.000 1.186 132 A CA 1.684 53.701 52.037 -0.034 0.000 0.624 132 A CB -0.472 18.518 19.000 -0.016 0.000 0.822 132 A HN 0.240 nan 8.150 nan 0.000 0.444 133 K N -0.241 120.151 120.400 -0.012 0.000 2.148 133 K HA -0.104 4.218 4.320 0.002 0.000 0.204 133 K C 1.896 178.494 176.600 -0.003 0.000 1.050 133 K CA 1.616 57.900 56.287 -0.006 0.000 0.942 133 K CB -0.418 32.081 32.500 -0.002 0.000 0.724 133 K HN 0.584 nan 8.250 nan 0.000 0.446 134 L N -1.356 119.865 121.223 -0.003 0.000 2.313 134 L HA 0.089 4.431 4.340 0.002 0.000 0.214 134 L C 1.851 178.708 176.870 -0.022 0.000 1.119 134 L CA 1.173 56.017 54.840 0.006 0.000 0.809 134 L CB -0.431 41.642 42.059 0.023 0.000 0.933 134 L HN -0.055 nan 8.230 nan 0.000 0.449 135 I N 0.453 120.991 120.570 -0.055 0.000 2.315 135 I HA -0.207 3.965 4.170 0.002 0.000 0.248 135 I C 2.040 178.129 176.117 -0.046 0.000 1.117 135 I CA 1.189 62.443 61.300 -0.077 0.000 1.404 135 I CB -0.482 37.462 38.000 -0.093 0.000 1.071 135 I HN 0.286 nan 8.210 nan 0.000 0.419 136 D N 0.863 121.246 120.400 -0.028 0.000 2.104 136 D HA -0.194 4.447 4.640 0.002 0.000 0.194 136 D C 2.090 178.389 176.300 -0.001 0.000 0.994 136 D CA 1.341 55.332 54.000 -0.015 0.000 0.830 136 D CB -0.228 40.566 40.800 -0.010 0.000 0.959 136 D HN 0.408 nan 8.370 nan 0.000 0.452 137 E N 0.181 120.389 120.200 0.013 0.000 2.110 137 E HA -0.109 4.242 4.350 0.002 0.000 0.193 137 E C 2.289 178.940 176.600 0.085 0.000 0.988 137 E CA 0.423 56.847 56.400 0.040 0.000 0.804 137 E CB 0.122 29.856 29.700 0.057 0.000 0.745 137 E HN 0.059 nan 8.360 nan 0.000 0.458 138 V N 1.797 121.761 119.914 0.083 0.000 2.332 138 V HA -0.243 3.879 4.120 0.002 0.000 0.248 138 V C 2.183 178.333 176.094 0.094 0.000 1.055 138 V CA 1.706 64.082 62.300 0.127 0.000 1.038 138 V CB -0.368 31.397 31.823 -0.096 0.000 0.651 138 V HN 0.222 nan 8.190 nan 0.000 0.450 139 E N -0.333 119.874 120.200 0.012 0.000 2.106 139 E HA -0.178 4.173 4.350 0.002 0.000 0.192 139 E C 2.366 178.966 176.600 -0.000 0.000 0.984 139 E CA 1.735 58.134 56.400 -0.002 0.000 0.806 139 E CB -0.552 29.138 29.700 -0.018 0.000 0.750 139 E HN 0.642 nan 8.360 nan 0.000 0.458 140 T N 0.323 114.871 114.554 -0.010 0.000 2.770 140 T HA -0.042 4.309 4.350 0.002 0.000 0.263 140 T C 1.960 176.606 174.700 -0.089 0.000 1.039 140 T CA 0.716 62.795 62.100 -0.035 0.000 1.142 140 T CB -0.056 68.793 68.868 -0.031 0.000 0.868 140 T HN 0.041 nan 8.240 nan 0.000 0.435 141 L N -0.769 120.364 121.223 -0.151 0.000 2.418 141 L HA 0.320 4.661 4.340 0.002 0.000 0.218 141 L C 0.073 176.486 176.870 -0.763 0.000 1.125 141 L CA 0.348 54.918 54.840 -0.450 0.000 0.835 141 L CB 0.114 41.835 42.059 -0.564 0.000 0.953 141 L HN 0.226 nan 8.230 nan 0.000 0.454 142 F N -0.357 119.599 119.950 0.011 0.000 2.584 142 F HA 0.308 4.836 4.527 0.002 0.000 0.328 142 F C -1.558 174.239 175.800 -0.004 0.000 1.407 142 F CA -1.818 56.195 58.000 0.023 0.000 1.145 142 F CB 0.361 39.278 39.000 -0.138 0.000 1.440 142 F HN -0.181 nan 8.300 nan 0.000 0.580 143 P HA -0.149 nan 4.420 nan 0.000 0.219 143 P C 1.176 178.542 177.300 0.110 0.000 1.146 143 P CA 1.377 64.523 63.100 0.077 0.000 0.808 143 P CB 0.501 32.229 31.700 0.045 0.000 0.779 144 L N -0.492 120.845 121.223 0.190 0.000 2.591 144 L HA 0.058 4.399 4.340 0.002 0.000 0.228 144 L C 1.001 178.022 176.870 0.252 0.000 1.133 144 L CA -0.339 54.619 54.840 0.196 0.000 0.880 144 L CB -1.247 40.928 42.059 0.194 0.000 1.033 144 L HN 0.067 nan 8.230 nan 0.000 0.450 145 N N 0.600 119.438 118.700 0.230 0.000 2.441 145 N HA -0.075 4.666 4.740 0.002 0.000 0.251 145 N C 0.172 175.710 175.510 0.047 0.000 1.242 145 N CA 0.206 53.320 53.050 0.106 0.000 0.898 145 N CB 0.475 38.755 38.487 -0.346 0.000 1.100 145 N HN 0.012 nan 8.380 nan 0.000 0.443 146 K N 0.472 120.898 120.400 0.044 0.000 2.537 146 K HA 0.342 4.663 4.320 0.002 0.000 0.206 146 K C -0.379 176.219 176.600 -0.004 0.000 1.041 146 K CA -0.413 55.891 56.287 0.029 0.000 1.090 146 K CB 0.558 33.092 32.500 0.055 0.000 0.833 146 K HN 0.811 nan 8.250 nan 0.000 0.493 147 G N 0.912 109.676 108.800 -0.060 0.000 2.352 147 G HA2 0.206 4.167 3.960 0.002 0.000 0.305 147 G HA3 0.206 4.167 3.960 0.002 0.000 0.305 147 G C -1.806 172.997 174.900 -0.163 0.000 1.537 147 G CA -0.997 44.062 45.100 -0.067 0.000 0.959 147 G HN 0.049 nan 8.290 nan 0.000 0.668 148 I N 1.034 121.499 120.570 -0.176 0.000 2.582 148 I HA 0.609 4.780 4.170 0.002 0.000 0.292 148 I C 0.286 176.251 176.117 -0.253 0.000 1.066 148 I CA -0.894 60.246 61.300 -0.266 0.000 1.053 148 I CB 2.516 40.353 38.000 -0.272 0.000 1.241 148 I HN 0.765 nan 8.210 nan 0.000 0.421 149 S N 4.834 120.374 115.700 -0.267 0.000 2.568 149 S HA 0.754 5.226 4.470 0.002 0.000 0.302 149 S C -0.865 173.527 174.600 -0.346 0.000 1.082 149 S CA -0.762 57.195 58.200 -0.404 0.000 1.009 149 S CB 2.261 65.077 63.200 -0.641 0.000 1.069 149 S HN 0.489 nan 8.310 nan 0.000 0.500 150 V N 2.232 121.910 119.914 -0.394 0.000 2.376 150 V HA 0.484 4.605 4.120 0.002 0.000 0.287 150 V C -1.244 174.692 176.094 -0.264 0.000 1.015 150 V CA -0.450 61.679 62.300 -0.285 0.000 0.834 150 V CB 1.380 33.013 31.823 -0.317 0.000 1.001 150 V HN 0.936 nan 8.190 nan 0.000 0.428 151 Q N 4.532 124.236 119.800 -0.160 0.000 2.377 151 Q HA 0.417 4.759 4.340 0.002 0.000 0.249 151 Q C 0.074 176.092 176.000 0.031 0.000 1.005 151 Q CA -0.002 55.739 55.803 -0.105 0.000 0.912 151 Q CB 1.451 30.152 28.738 -0.062 0.000 1.223 151 Q HN 0.812 nan 8.270 nan 0.000 0.459 152 S N 2.581 118.270 115.700 -0.018 0.000 2.531 152 S HA 0.135 4.606 4.470 0.002 0.000 0.279 152 S C 0.331 174.904 174.600 -0.044 0.000 1.305 152 S CA -0.318 57.861 58.200 -0.036 0.000 1.058 152 S CB 0.961 64.121 63.200 -0.066 0.000 0.899 152 S HN 0.386 nan 8.310 nan 0.000 0.493 153 E N 0.820 120.918 120.200 -0.170 0.000 2.280 153 E HA 0.206 4.557 4.350 0.002 0.000 0.261 153 E C 0.847 177.346 176.600 -0.168 0.000 1.088 153 E CA -0.829 55.425 56.400 -0.244 0.000 0.915 153 E CB 0.489 29.960 29.700 -0.382 0.000 1.141 153 E HN 0.621 nan 8.360 nan 0.000 0.433 154 C N 1.325 120.572 119.300 -0.090 0.000 2.336 154 C HA -0.175 4.286 4.460 0.002 0.000 0.272 154 C C -0.456 174.623 174.990 0.148 0.000 1.160 154 C CA 1.107 60.198 59.018 0.123 0.000 1.783 154 C CB -1.707 26.121 27.740 0.146 0.000 2.050 154 C HN 0.714 nan 8.230 nan 0.000 0.443 155 P HA -0.044 nan 4.420 nan 0.000 0.222 155 P C 1.422 178.729 177.300 0.012 0.000 1.147 155 P CA 1.051 64.152 63.100 0.000 0.000 0.790 155 P CB -0.269 31.417 31.700 -0.024 0.000 0.780 156 I N -0.318 120.208 120.570 -0.073 0.000 2.163 156 I HA -0.146 4.025 4.170 0.002 0.000 0.243 156 I C 2.373 178.530 176.117 0.067 0.000 1.085 156 I CA 2.112 63.383 61.300 -0.048 0.000 1.347 156 I CB -2.150 35.769 38.000 -0.134 0.000 1.044 156 I HN 0.035 nan 8.210 nan 0.000 0.408 157 G N 0.740 109.626 108.800 0.144 0.000 2.396 157 G HA2 -0.082 3.880 3.960 0.002 0.000 0.214 157 G HA3 -0.082 3.880 3.960 0.002 0.000 0.214 157 G C 1.842 176.829 174.900 0.145 0.000 1.166 157 G CA 0.148 45.371 45.100 0.205 0.000 0.793 157 G HN 0.310 nan 8.290 nan 0.000 0.533 158 L N 1.016 122.300 121.223 0.102 0.000 2.046 158 L HA -0.024 4.317 4.340 0.002 0.000 0.208 158 L C 2.673 179.542 176.870 -0.002 0.000 1.077 158 L CA 1.111 55.924 54.840 -0.046 0.000 0.747 158 L CB -0.478 41.512 42.059 -0.116 0.000 0.896 158 L HN 0.392 nan 8.230 nan 0.000 0.432 159 I N -2.712 117.882 120.570 0.041 0.000 3.564 159 I HA 0.268 4.439 4.170 0.002 0.000 0.294 159 I C 1.201 177.347 176.117 0.048 0.000 1.289 159 I CA 0.536 61.865 61.300 0.048 0.000 1.325 159 I CB -0.623 37.429 38.000 0.087 0.000 1.039 159 I HN 0.286 nan 8.210 nan 0.000 0.474 160 G N 1.666 110.496 108.800 0.050 0.000 2.198 160 G HA2 -0.226 3.735 3.960 0.002 0.000 0.257 160 G HA3 -0.226 3.735 3.960 0.002 0.000 0.257 160 G C -0.348 174.586 174.900 0.057 0.000 1.042 160 G CA 0.182 45.309 45.100 0.046 0.000 0.791 160 G HN 0.529 nan 8.290 nan 0.000 0.502 161 D N -0.048 120.399 120.400 0.078 0.000 2.344 161 D HA 0.425 5.066 4.640 0.002 0.000 0.244 161 D C 0.041 176.386 176.300 0.075 0.000 1.134 161 D CA -0.033 54.022 54.000 0.091 0.000 0.930 161 D CB 0.960 41.844 40.800 0.141 0.000 1.175 161 D HN 0.107 nan 8.370 nan 0.000 0.437 162 D N 0.833 121.274 120.400 0.069 0.000 2.483 162 D HA 0.128 4.769 4.640 0.002 0.000 0.281 162 D C 1.265 177.588 176.300 0.038 0.000 1.174 162 D CA -0.451 53.579 54.000 0.050 0.000 0.938 162 D CB -0.134 40.692 40.800 0.043 0.000 1.002 162 D HN 0.378 nan 8.370 nan 0.000 0.501 163 I N -0.900 119.688 120.570 0.031 0.000 2.614 163 I HA -0.083 4.088 4.170 0.002 0.000 0.258 163 I C 1.287 177.352 176.117 -0.087 0.000 1.189 163 I CA 0.688 61.974 61.300 -0.023 0.000 1.462 163 I CB 0.090 38.071 38.000 -0.031 0.000 1.092 163 I HN -0.046 nan 8.210 nan 0.000 0.442 164 E N 1.875 122.048 120.200 -0.044 0.000 2.051 164 E HA -0.128 4.224 4.350 0.002 0.000 0.192 164 E C 2.393 179.013 176.600 0.034 0.000 0.991 164 E CA 1.766 58.156 56.400 -0.016 0.000 0.799 164 E CB -0.335 29.442 29.700 0.128 0.000 0.748 164 E HN 0.496 nan 8.360 nan 0.000 0.449 165 S N -0.061 115.665 115.700 0.044 0.000 2.382 165 S HA -0.116 4.355 4.470 0.002 0.000 0.228 165 S C 2.112 176.723 174.600 0.018 0.000 1.027 165 S CA 1.006 59.235 58.200 0.048 0.000 0.991 165 S CB -0.226 62.999 63.200 0.041 0.000 0.823 165 S HN 0.048 nan 8.310 nan 0.000 0.469 166 V N 1.728 121.633 119.914 -0.015 0.000 2.307 166 V HA -0.141 3.980 4.120 0.002 0.000 0.245 166 V C 2.419 178.473 176.094 -0.066 0.000 1.045 166 V CA 1.866 64.144 62.300 -0.037 0.000 1.024 166 V CB -0.971 30.819 31.823 -0.055 0.000 0.651 166 V HN 0.425 nan 8.190 nan 0.000 0.449 167 S N 0.340 115.967 115.700 -0.121 0.000 2.356 167 S HA -0.238 4.233 4.470 0.002 0.000 0.223 167 S C 2.020 176.597 174.600 -0.039 0.000 1.032 167 S CA 1.959 60.056 58.200 -0.173 0.000 1.005 167 S CB -0.356 62.599 63.200 -0.407 0.000 0.867 167 S HN 0.643 nan 8.310 nan 0.000 0.449 168 K N 2.060 122.504 120.400 0.073 0.000 2.026 168 K HA 0.005 4.327 4.320 0.002 0.000 0.208 168 K C 1.767 178.419 176.600 0.088 0.000 1.048 168 K CA 1.558 57.952 56.287 0.178 0.000 0.929 168 K CB -0.991 31.648 32.500 0.231 0.000 0.713 168 K HN 0.185 nan 8.250 nan 0.000 0.439 169 V N 1.417 121.361 119.914 0.049 0.000 2.307 169 V HA -0.176 3.945 4.120 0.002 0.000 0.245 169 V C 2.273 178.376 176.094 0.016 0.000 1.045 169 V CA 1.886 64.204 62.300 0.030 0.000 1.024 169 V CB -0.456 31.380 31.823 0.021 0.000 0.651 169 V HN 0.305 nan 8.190 nan 0.000 0.449 170 K N 0.578 120.977 120.400 -0.003 0.000 2.148 170 K HA -0.038 4.284 4.320 0.002 0.000 0.204 170 K C 2.218 178.812 176.600 -0.009 0.000 1.050 170 K CA 1.353 57.630 56.287 -0.016 0.000 0.942 170 K CB -1.035 31.439 32.500 -0.043 0.000 0.724 170 K HN 0.520 nan 8.250 nan 0.000 0.446 171 G N 1.483 110.284 108.800 0.003 0.000 2.459 171 G HA2 -0.267 3.694 3.960 0.002 0.000 0.217 171 G HA3 -0.267 3.694 3.960 0.002 0.000 0.217 171 G C 1.739 176.660 174.900 0.035 0.000 1.183 171 G CA 1.415 46.530 45.100 0.024 0.000 0.776 171 G HN 0.376 nan 8.290 nan 0.000 0.552 172 A N 0.640 123.487 122.820 0.045 0.000 1.877 172 A HA -0.067 4.254 4.320 0.002 0.000 0.216 172 A C 2.183 179.781 177.584 0.024 0.000 1.186 172 A CA 2.091 54.151 52.037 0.038 0.000 0.620 172 A CB -0.614 18.409 19.000 0.040 0.000 0.822 172 A HN 0.488 nan 8.150 nan 0.000 0.443 173 E N -0.261 119.949 120.200 0.017 0.000 2.097 173 E HA -0.183 4.168 4.350 0.002 0.000 0.196 173 E C 1.406 178.010 176.600 0.006 0.000 1.000 173 E CA 1.413 57.819 56.400 0.009 0.000 0.804 173 E CB -0.154 29.548 29.700 0.004 0.000 0.740 173 E HN 0.632 nan 8.360 nan 0.000 0.454 174 L N 0.015 121.240 121.223 0.004 0.000 2.640 174 L HA 0.170 4.511 4.340 0.002 0.000 0.230 174 L C 0.499 177.372 176.870 0.006 0.000 1.123 174 L CA -0.179 54.661 54.840 -0.000 0.000 0.900 174 L CB 0.487 42.539 42.059 -0.012 0.000 1.146 174 L HN -0.082 nan 8.230 nan 0.000 0.484 175 S N 0.924 116.632 115.700 0.014 0.000 3.614 175 S HA -0.222 4.249 4.470 0.002 0.000 0.360 175 S C 0.146 174.759 174.600 0.021 0.000 1.023 175 S CA 1.011 59.224 58.200 0.021 0.000 1.114 175 S CB -1.092 62.120 63.200 0.020 0.000 0.907 175 S HN 0.585 nan 8.310 nan 0.000 0.470 176 K N 0.226 120.636 120.400 0.017 0.000 2.469 176 K HA 0.440 4.762 4.320 0.002 0.000 0.254 176 K C -0.541 176.071 176.600 0.019 0.000 0.939 176 K CA -0.656 55.637 56.287 0.010 0.000 0.812 176 K CB 1.378 33.869 32.500 -0.015 0.000 1.301 176 K HN 0.046 nan 8.250 nan 0.000 0.433 177 T N 4.014 118.584 114.554 0.027 0.000 2.769 177 T HA 0.259 4.610 4.350 0.002 0.000 0.293 177 T C -0.088 174.602 174.700 -0.017 0.000 0.931 177 T CA 0.173 62.304 62.100 0.050 0.000 1.139 177 T CB -0.315 68.598 68.868 0.075 0.000 0.881 177 T HN 0.319 nan 8.240 nan 0.000 0.532 178 I N 3.627 124.170 120.570 -0.044 0.000 2.447 178 I HA 0.357 4.529 4.170 0.002 0.000 0.287 178 I C -0.564 175.365 176.117 -0.312 0.000 1.023 178 I CA -1.077 60.118 61.300 -0.174 0.000 1.083 178 I CB 2.044 39.943 38.000 -0.169 0.000 1.245 178 I HN 0.255 nan 8.210 nan 0.000 0.434 179 V N 7.934 127.593 119.914 -0.426 0.000 2.334 179 V HA 0.333 4.454 4.120 0.002 0.000 0.281 179 V C -2.179 173.447 176.094 -0.780 0.000 1.016 179 V CA -1.743 60.157 62.300 -0.667 0.000 0.832 179 V CB 1.383 32.905 31.823 -0.501 0.000 0.999 179 V HN 0.542 nan 8.190 nan 0.000 0.439 180 P HA 0.276 nan 4.420 nan 0.000 0.282 180 P C -0.857 176.143 177.300 -0.501 0.000 1.262 180 P CA -0.090 62.632 63.100 -0.631 0.000 0.773 180 P CB 1.648 33.002 31.700 -0.578 0.000 0.879 181 V N 5.737 125.421 119.914 -0.384 0.000 2.443 181 V HA 0.343 4.464 4.120 0.002 0.000 0.293 181 V C 0.779 176.760 176.094 -0.187 0.000 1.021 181 V CA -0.576 61.547 62.300 -0.296 0.000 0.848 181 V CB 1.705 33.271 31.823 -0.428 0.000 0.998 181 V HN 0.412 nan 8.190 nan 0.000 0.424 182 R N 3.203 123.623 120.500 -0.134 0.000 3.171 182 R HA 0.247 4.588 4.340 0.002 0.000 0.241 182 R C 0.294 176.504 176.300 -0.150 0.000 1.421 182 R CA -0.214 55.813 56.100 -0.121 0.000 1.444 182 R CB 0.304 30.552 30.300 -0.087 0.000 1.247 182 R HN 0.925 nan 8.270 nan 0.000 0.636 183 C N -0.680 118.533 119.300 -0.145 0.000 2.469 183 C HA 0.311 4.772 4.460 0.002 0.000 0.298 183 C C 0.112 175.008 174.990 -0.157 0.000 1.436 183 C CA -1.155 57.776 59.018 -0.145 0.000 1.783 183 C CB -1.287 26.390 27.740 -0.106 0.000 2.726 183 C HN 0.463 nan 8.230 nan 0.000 0.541 184 E N 1.177 121.209 120.200 -0.279 0.000 2.529 184 E HA 0.328 4.680 4.350 0.002 0.000 0.259 184 E C 1.556 177.905 176.600 -0.417 0.000 0.966 184 E CA 0.928 57.107 56.400 -0.369 0.000 0.937 184 E CB 0.508 29.817 29.700 -0.652 0.000 0.923 184 E HN 0.607 nan 8.360 nan 0.000 0.468 185 G N 2.532 111.218 108.800 -0.190 0.000 2.527 185 G HA2 -0.254 3.708 3.960 0.002 0.000 0.219 185 G HA3 -0.254 3.708 3.960 0.002 0.000 0.219 185 G C 0.975 175.828 174.900 -0.079 0.000 1.117 185 G CA 0.691 45.734 45.100 -0.096 0.000 0.759 185 G HN 0.639 nan 8.290 nan 0.000 0.556 186 F N 0.368 120.301 119.950 -0.028 0.000 2.710 186 F HA 0.423 4.952 4.527 0.002 0.000 0.298 186 F C 1.173 176.958 175.800 -0.025 0.000 1.137 186 F CA -1.087 56.897 58.000 -0.026 0.000 1.444 186 F CB -0.132 38.851 39.000 -0.028 0.000 1.111 186 F HN -0.149 nan 8.300 nan 0.000 0.580 187 R N 1.703 121.954 120.500 -0.415 0.000 2.491 187 R HA 0.443 4.784 4.340 0.002 0.000 0.283 187 R C 0.890 177.118 176.300 -0.119 0.000 1.072 187 R CA 0.414 56.361 56.100 -0.254 0.000 1.048 187 R CB 0.160 30.232 30.300 -0.382 0.000 0.983 187 R HN 0.538 nan 8.270 nan 0.000 0.450 188 G N 0.453 109.220 108.800 -0.055 0.000 2.698 188 G HA2 -0.281 3.681 3.960 0.002 0.000 0.233 188 G HA3 -0.281 3.681 3.960 0.002 0.000 0.233 188 G C 0.309 175.204 174.900 -0.009 0.000 1.352 188 G CA -0.217 44.860 45.100 -0.039 0.000 0.879 188 G HN 0.780 nan 8.290 nan 0.000 0.567 189 V N -3.489 116.421 119.914 -0.006 0.000 3.432 189 V HA 0.725 4.847 4.120 0.002 0.000 0.298 189 V C 0.668 176.778 176.094 0.027 0.000 1.464 189 V CA 1.703 64.014 62.300 0.018 0.000 1.046 189 V CB -0.232 31.609 31.823 0.029 0.000 0.887 189 V HN 2.627 nan 8.190 nan 0.000 0.441 190 S N -1.111 114.583 115.700 -0.010 0.000 2.669 190 S HA 0.330 4.801 4.470 0.002 0.000 0.266 190 S C 0.097 174.583 174.600 -0.189 0.000 1.149 190 S CA -0.051 58.132 58.200 -0.029 0.000 0.842 190 S CB 1.330 64.581 63.200 0.084 0.000 1.160 190 S HN 0.053 nan 8.310 nan 0.000 0.487 191 Q N 1.129 120.711 119.800 -0.362 0.000 2.248 191 Q HA -0.031 4.311 4.340 0.002 0.000 0.208 191 Q C 2.155 177.624 176.000 -0.885 0.000 0.984 191 Q CA 1.873 57.304 55.803 -0.620 0.000 0.875 191 Q CB -0.597 27.635 28.738 -0.844 0.000 0.910 191 Q HN 0.683 nan 8.270 nan 0.000 0.433 192 S N 0.154 115.370 115.700 -0.807 0.000 2.368 192 S HA -0.213 4.258 4.470 0.002 0.000 0.226 192 S C 1.688 176.143 174.600 -0.243 0.000 1.044 192 S CA 1.409 59.332 58.200 -0.463 0.000 1.062 192 S CB -0.323 62.947 63.200 0.116 0.000 0.931 192 S HN 0.415 nan 8.310 nan 0.000 0.440 193 L N 1.661 122.796 121.223 -0.146 0.000 2.191 193 L HA 0.146 4.487 4.340 0.002 0.000 0.212 193 L C 2.309 179.101 176.870 -0.131 0.000 1.103 193 L CA 1.866 56.654 54.840 -0.086 0.000 0.769 193 L CB -1.271 40.734 42.059 -0.089 0.000 0.908 193 L HN 0.421 nan 8.230 nan 0.000 0.438 194 G N -1.760 106.913 108.800 -0.213 0.000 2.422 194 G HA2 -0.285 3.677 3.960 0.002 0.000 0.218 194 G HA3 -0.285 3.677 3.960 0.002 0.000 0.218 194 G C 1.310 176.170 174.900 -0.067 0.000 1.146 194 G CA 1.097 46.095 45.100 -0.170 0.000 0.769 194 G HN 0.605 nan 8.290 nan 0.000 0.547 195 H N -1.374 117.663 119.070 -0.056 0.000 2.293 195 H HA -0.083 4.474 4.556 0.002 0.000 0.300 195 H C 2.300 177.632 175.328 0.006 0.000 1.082 195 H CA 1.366 57.420 56.048 0.010 0.000 1.308 195 H CB -0.213 29.606 29.762 0.095 0.000 1.375 195 H HN 0.522 nan 8.280 nan 0.000 0.495 196 H N 0.386 119.348 119.070 -0.180 0.000 2.321 196 H HA -0.118 4.439 4.556 0.002 0.000 0.300 196 H C 2.231 177.409 175.328 -0.250 0.000 1.087 196 H CA 1.304 56.992 56.048 -0.599 0.000 1.319 196 H CB 0.083 29.375 29.762 -0.783 0.000 1.379 196 H HN 0.213 nan 8.280 nan 0.000 0.501 197 I N 0.502 121.051 120.570 -0.034 0.000 2.208 197 I HA -0.288 3.883 4.170 0.002 0.000 0.245 197 I C 2.806 178.982 176.117 0.099 0.000 1.097 197 I CA 1.033 62.315 61.300 -0.030 0.000 1.363 197 I CB -0.337 37.621 38.000 -0.069 0.000 1.051 197 I HN 0.378 nan 8.210 nan 0.000 0.413 198 A N 0.475 123.399 122.820 0.174 0.000 1.930 198 A HA -0.195 4.126 4.320 0.002 0.000 0.217 198 A C 2.102 179.871 177.584 0.308 0.000 1.175 198 A CA 1.695 53.969 52.037 0.396 0.000 0.627 198 A CB -0.812 18.407 19.000 0.365 0.000 0.815 198 A HN 0.475 nan 8.150 nan 0.000 0.443 199 N N -0.190 118.626 118.700 0.194 0.000 2.142 199 N HA -0.143 4.598 4.740 0.002 0.000 0.186 199 N C 0.835 176.447 175.510 0.171 0.000 1.023 199 N CA 1.429 54.587 53.050 0.181 0.000 0.852 199 N CB -0.184 38.420 38.487 0.195 0.000 0.998 199 N HN 0.396 nan 8.380 nan 0.000 0.424 200 D N 0.927 121.420 120.400 0.154 0.000 2.183 200 D HA -0.031 4.610 4.640 0.002 0.000 0.203 200 D C 1.818 178.231 176.300 0.188 0.000 0.969 200 D CA 0.468 54.536 54.000 0.114 0.000 0.842 200 D CB -0.215 40.619 40.800 0.057 0.000 0.957 200 D HN 0.206 nan 8.370 nan 0.000 0.484 201 A N 0.514 123.503 122.820 0.282 0.000 1.930 201 A HA -0.096 4.225 4.320 0.002 0.000 0.217 201 A C 2.463 180.363 177.584 0.526 0.000 1.175 201 A CA 0.862 53.152 52.037 0.421 0.000 0.627 201 A CB -0.591 18.595 19.000 0.311 0.000 0.815 201 A HN 0.127 nan 8.150 nan 0.000 0.443 202 V N 0.414 120.604 119.914 0.460 0.000 2.295 202 V HA -0.253 3.868 4.120 0.002 0.000 0.246 202 V C 2.716 178.950 176.094 0.233 0.000 1.049 202 V CA 2.194 64.676 62.300 0.304 0.000 1.024 202 V CB -0.789 31.084 31.823 0.084 0.000 0.648 202 V HN 0.656 nan 8.190 nan 0.000 0.447 203 R N 0.292 120.878 120.500 0.143 0.000 2.094 203 R HA -0.217 4.124 4.340 0.002 0.000 0.239 203 R C 1.944 178.248 176.300 0.005 0.000 1.137 203 R CA 2.459 58.545 56.100 -0.022 0.000 0.943 203 R CB -0.627 29.521 30.300 -0.254 0.000 0.850 203 R HN 0.530 nan 8.270 nan 0.000 0.433 204 D N -1.408 119.014 120.400 0.036 0.000 2.194 204 D HA -0.121 4.521 4.640 0.002 0.000 0.204 204 D C 1.342 177.504 176.300 -0.230 0.000 0.964 204 D CA 1.050 54.974 54.000 -0.127 0.000 0.846 204 D CB -0.144 40.551 40.800 -0.174 0.000 0.962 204 D HN 0.381 nan 8.370 nan 0.000 0.490 205 W N -0.249 121.099 121.300 0.080 0.000 2.998 205 W HA 0.203 4.865 4.660 0.002 0.000 0.336 205 W C 1.581 178.156 176.519 0.094 0.000 1.112 205 W CA -0.113 57.276 57.345 0.075 0.000 1.682 205 W CB 0.520 30.015 29.460 0.058 0.000 1.065 205 W HN -0.240 nan 8.180 nan 0.000 0.570 206 V N -1.064 119.018 119.914 0.281 0.000 3.102 206 V HA -0.005 4.116 4.120 0.002 0.000 0.225 206 V C 1.597 177.778 176.094 0.144 0.000 1.301 206 V CA 0.165 62.586 62.300 0.201 0.000 1.308 206 V CB -0.696 31.244 31.823 0.194 0.000 1.129 206 V HN -0.119 nan 8.190 nan 0.000 0.502 207 L N 2.085 123.409 121.223 0.167 0.000 2.127 207 L HA -0.031 4.310 4.340 0.002 0.000 0.211 207 L C 2.016 179.008 176.870 0.203 0.000 1.089 207 L CA 2.514 57.474 54.840 0.200 0.000 0.757 207 L CB -0.836 41.404 42.059 0.302 0.000 0.899 207 L HN 0.377 nan 8.230 nan 0.000 0.434 208 G N -1.820 107.101 108.800 0.200 0.000 2.985 208 G HA2 -0.143 3.818 3.960 0.002 0.000 0.209 208 G HA3 -0.143 3.818 3.960 0.002 0.000 0.209 208 G C 1.545 176.521 174.900 0.126 0.000 1.165 208 G CA 0.263 45.484 45.100 0.202 0.000 0.776 208 G HN 0.362 nan 8.290 nan 0.000 0.541 209 K N 0.341 120.800 120.400 0.097 0.000 2.113 209 K HA -0.080 4.241 4.320 0.002 0.000 0.208 209 K C 1.723 178.359 176.600 0.061 0.000 1.047 209 K CA 0.877 57.208 56.287 0.072 0.000 0.928 209 K CB -0.012 32.529 32.500 0.068 0.000 0.716 209 K HN 0.153 nan 8.250 nan 0.000 0.446 210 R N 0.369 120.901 120.500 0.055 0.000 2.609 210 R HA 0.074 4.415 4.340 0.002 0.000 0.326 210 R C 0.317 176.651 176.300 0.057 0.000 1.090 210 R CA -0.200 55.927 56.100 0.044 0.000 1.072 210 R CB 0.534 30.844 30.300 0.017 0.000 1.330 210 R HN 0.175 nan 8.270 nan 0.000 0.572 211 D N 1.210 121.666 120.400 0.093 0.000 2.218 211 D HA -0.155 4.487 4.640 0.002 0.000 0.204 211 D C 0.798 177.156 176.300 0.096 0.000 0.976 211 D CA 1.238 55.315 54.000 0.129 0.000 0.853 211 D CB 0.322 41.226 40.800 0.174 0.000 0.939 211 D HN 0.370 nan 8.370 nan 0.000 0.481 212 E N 0.238 120.481 120.200 0.072 0.000 2.463 212 E HA -0.017 4.335 4.350 0.002 0.000 0.193 212 E C -0.015 176.618 176.600 0.056 0.000 1.041 212 E CA -0.150 56.286 56.400 0.060 0.000 0.879 212 E CB 0.485 30.214 29.700 0.048 0.000 0.997 212 E HN 0.097 nan 8.360 nan 0.000 0.478 213 D N 1.175 121.611 120.400 0.059 0.000 2.313 213 D HA 0.018 4.659 4.640 0.002 0.000 0.239 213 D C 0.522 176.865 176.300 0.073 0.000 1.142 213 D CA 0.059 54.096 54.000 0.062 0.000 0.847 213 D CB 1.242 42.078 40.800 0.060 0.000 1.082 213 D HN -0.024 nan 8.370 nan 0.000 0.480 214 T N -0.552 114.043 114.554 0.068 0.000 3.145 214 T HA 0.010 4.361 4.350 0.002 0.000 0.255 214 T C 1.386 176.132 174.700 0.077 0.000 1.039 214 T CA -0.061 62.082 62.100 0.071 0.000 0.928 214 T CB -0.125 68.774 68.868 0.052 0.000 1.029 214 T HN 0.348 nan 8.240 nan 0.000 0.554 215 T N -1.243 113.366 114.554 0.091 0.000 3.081 215 T HA 0.277 4.628 4.350 0.002 0.000 0.250 215 T C 0.193 174.957 174.700 0.106 0.000 1.100 215 T CA -0.623 61.525 62.100 0.079 0.000 1.038 215 T CB -0.620 68.290 68.868 0.070 0.000 0.962 215 T HN 0.334 nan 8.240 nan 0.000 0.516 216 F N 3.258 123.217 119.950 0.014 0.000 2.467 216 F HA 0.558 5.086 4.527 0.002 0.000 0.362 216 F C 0.487 176.294 175.800 0.012 0.000 1.090 216 F CA -1.903 56.106 58.000 0.014 0.000 1.202 216 F CB 0.292 39.299 39.000 0.012 0.000 1.113 216 F HN 0.199 nan 8.300 nan 0.000 0.541 217 A N 5.627 128.026 122.820 -0.700 0.000 2.437 217 A HA 0.450 4.771 4.320 0.002 0.000 0.303 217 A C 0.106 177.295 177.584 -0.658 0.000 1.324 217 A CA -0.393 51.342 52.037 -0.504 0.000 0.983 217 A CB -0.740 18.042 19.000 -0.363 0.000 1.142 217 A HN 0.739 nan 8.150 nan 0.000 0.541 218 S N 1.296 116.833 115.700 -0.272 0.000 2.603 218 S HA 0.562 5.034 4.470 0.002 0.000 0.268 218 S C 0.770 175.325 174.600 -0.076 0.000 1.317 218 S CA 0.123 58.283 58.200 -0.066 0.000 1.012 218 S CB 1.031 64.286 63.200 0.092 0.000 0.926 218 S HN 1.029 nan 8.310 nan 0.000 0.539 219 T N -1.928 112.615 114.554 -0.019 0.000 2.916 219 T HA 0.508 4.859 4.350 0.002 0.000 0.292 219 T C -2.708 171.927 174.700 -0.109 0.000 1.064 219 T CA -2.192 59.871 62.100 -0.062 0.000 1.011 219 T CB 1.357 70.221 68.868 -0.008 0.000 1.152 219 T HN 0.165 nan 8.240 nan 0.000 0.510 220 P HA 0.042 nan 4.420 nan 0.000 0.228 220 P C -0.117 177.029 177.300 -0.258 0.000 1.151 220 P CA 0.728 63.594 63.100 -0.388 0.000 0.770 220 P CB -0.207 31.107 31.700 -0.642 0.000 0.786 221 Y N -1.444 118.944 120.300 0.146 0.000 2.636 221 Y HA 0.225 4.776 4.550 0.002 0.000 0.260 221 Y C 0.289 176.222 175.900 0.054 0.000 1.177 221 Y CA -1.418 56.706 58.100 0.039 0.000 1.209 221 Y CB -0.781 37.600 38.460 -0.133 0.000 1.166 221 Y HN -0.137 nan 8.280 nan 0.000 0.531 222 D N 0.672 121.208 120.400 0.226 0.000 2.351 222 D HA 0.307 4.949 4.640 0.002 0.000 0.251 222 D C -0.258 176.162 176.300 0.200 0.000 1.137 222 D CA 0.431 54.550 54.000 0.198 0.000 0.879 222 D CB 2.091 43.015 40.800 0.206 0.000 1.181 222 D HN -0.042 nan 8.370 nan 0.000 0.448 223 V N 0.598 120.600 119.914 0.146 0.000 3.159 223 V HA 0.829 4.951 4.120 0.002 0.000 0.308 223 V C -1.349 174.788 176.094 0.071 0.000 1.190 223 V CA -0.680 61.692 62.300 0.120 0.000 1.037 223 V CB 2.277 34.165 31.823 0.108 0.000 1.060 223 V HN 0.676 nan 8.190 nan 0.000 0.437 224 A N 3.448 126.290 122.820 0.037 0.000 2.455 224 A HA 0.800 5.122 4.320 0.002 0.000 0.300 224 A C -1.133 176.450 177.584 -0.002 0.000 1.040 224 A CA -0.523 51.533 52.037 0.032 0.000 0.697 224 A CB 1.255 20.259 19.000 0.007 0.000 1.265 224 A HN 0.694 nan 8.150 nan 0.000 0.407 225 I N 3.608 124.199 120.570 0.034 0.000 2.337 225 I HA 0.190 4.361 4.170 0.002 0.000 0.291 225 I C -0.559 175.558 176.117 -0.001 0.000 1.046 225 I CA -0.174 61.143 61.300 0.028 0.000 1.324 225 I CB 0.506 38.532 38.000 0.043 0.000 1.409 225 I HN 0.369 nan 8.210 nan 0.000 0.494 226 I N 5.789 126.317 120.570 -0.070 0.000 2.330 226 I HA 0.318 4.489 4.170 0.002 0.000 0.289 226 I C 0.947 176.969 176.117 -0.158 0.000 1.001 226 I CA -0.327 60.848 61.300 -0.208 0.000 1.193 226 I CB 0.647 38.425 38.000 -0.370 0.000 1.345 226 I HN 0.884 nan 8.210 nan 0.000 0.461 227 G N 4.564 113.227 108.800 -0.228 0.000 2.255 227 G HA2 -0.174 3.788 3.960 0.002 0.000 0.239 227 G HA3 -0.174 3.788 3.960 0.002 0.000 0.239 227 G C -0.398 174.269 174.900 -0.388 0.000 1.083 227 G CA -0.321 44.582 45.100 -0.328 0.000 0.826 227 G HN 0.654 nan 8.290 nan 0.000 0.493 228 D N -0.819 119.247 120.400 -0.556 0.000 2.620 228 D HA 0.499 5.140 4.640 0.002 0.000 0.252 228 D C 0.379 176.363 176.300 -0.528 0.000 1.207 228 D CA -0.786 53.029 54.000 -0.309 0.000 0.884 228 D CB 0.881 41.622 40.800 -0.099 0.000 1.262 228 D HN 0.088 nan 8.370 nan 0.000 0.552 229 Y N 2.511 122.804 120.300 -0.012 0.000 2.493 229 Y HA 0.266 4.818 4.550 0.002 0.000 0.275 229 Y C 1.348 177.172 175.900 -0.127 0.000 1.183 229 Y CA -0.281 57.782 58.100 -0.061 0.000 1.258 229 Y CB -0.427 37.999 38.460 -0.056 0.000 1.108 229 Y HN 0.569 nan 8.280 nan 0.000 0.521 230 N N 1.109 119.736 118.700 -0.122 0.000 2.740 230 N HA -0.180 4.561 4.740 0.002 0.000 0.248 230 N C -0.944 174.382 175.510 -0.307 0.000 1.062 230 N CA -0.305 52.573 53.050 -0.287 0.000 0.704 230 N CB -0.542 37.690 38.487 -0.426 0.000 0.968 230 N HN 0.052 nan 8.380 nan 0.000 0.547 231 I N 1.303 121.722 120.570 -0.251 0.000 2.578 231 I HA 0.044 4.215 4.170 0.002 0.000 0.286 231 I C 1.939 177.834 176.117 -0.370 0.000 1.126 231 I CA 1.437 62.534 61.300 -0.337 0.000 1.380 231 I CB -0.550 37.192 38.000 -0.429 0.000 1.408 231 I HN 0.471 nan 8.210 nan 0.000 0.532 232 G N 5.206 113.539 108.800 -0.779 0.000 2.168 232 G HA2 -0.161 3.800 3.960 0.002 0.000 0.257 232 G HA3 -0.161 3.800 3.960 0.002 0.000 0.257 232 G C 0.998 175.678 174.900 -0.368 0.000 0.997 232 G CA 0.503 45.174 45.100 -0.715 0.000 0.708 232 G HN 1.647 nan 8.290 nan 0.000 0.520 233 G N -1.134 107.430 108.800 -0.393 0.000 2.159 233 G HA2 -0.233 3.729 3.960 0.002 0.000 0.227 233 G HA3 -0.233 3.729 3.960 0.002 0.000 0.227 233 G C 0.800 175.625 174.900 -0.125 0.000 0.986 233 G CA 0.850 45.862 45.100 -0.148 0.000 0.651 233 G HN 0.591 nan 8.290 nan 0.000 0.523 234 D N 0.663 120.939 120.400 -0.207 0.000 2.170 234 D HA -0.109 4.532 4.640 0.002 0.000 0.193 234 D C 2.600 178.855 176.300 -0.075 0.000 1.004 234 D CA 2.058 55.898 54.000 -0.267 0.000 0.860 234 D CB -0.422 39.967 40.800 -0.685 0.000 0.931 234 D HN 0.819 nan 8.370 nan 0.000 0.448 235 A N -0.063 122.683 122.820 -0.123 0.000 1.968 235 A HA -0.116 4.205 4.320 0.002 0.000 0.217 235 A C 1.958 179.625 177.584 0.139 0.000 1.169 235 A CA 0.617 52.648 52.037 -0.009 0.000 0.638 235 A CB -0.739 18.191 19.000 -0.117 0.000 0.812 235 A HN 0.226 nan 8.150 nan 0.000 0.446 236 W N 0.628 121.986 121.300 0.097 0.000 2.388 236 W HA -0.005 4.656 4.660 0.002 0.000 0.294 236 W C 2.219 178.796 176.519 0.096 0.000 1.212 236 W CA 1.002 58.405 57.345 0.098 0.000 1.271 236 W CB -1.323 28.201 29.460 0.107 0.000 1.126 236 W HN 0.320 nan 8.180 nan 0.000 0.535 237 S N -0.200 115.684 115.700 0.306 0.000 2.515 237 S HA -0.062 4.410 4.470 0.002 0.000 0.231 237 S C 1.866 176.553 174.600 0.145 0.000 0.987 237 S CA 1.052 59.372 58.200 0.200 0.000 0.936 237 S CB 0.012 63.308 63.200 0.161 0.000 0.766 237 S HN 0.082 nan 8.310 nan 0.000 0.528 238 S N 1.334 117.164 115.700 0.217 0.000 2.398 238 S HA 0.089 4.561 4.470 0.002 0.000 0.220 238 S C 1.851 176.603 174.600 0.253 0.000 1.046 238 S CA 0.029 58.417 58.200 0.314 0.000 0.953 238 S CB -0.195 63.202 63.200 0.330 0.000 0.856 238 S HN 0.477 nan 8.310 nan 0.000 0.506 239 R N 1.378 122.001 120.500 0.205 0.000 2.113 239 R HA -0.125 4.216 4.340 0.002 0.000 0.244 239 R C 2.241 178.622 176.300 0.134 0.000 1.142 239 R CA 1.702 57.901 56.100 0.165 0.000 0.953 239 R CB -0.583 29.842 30.300 0.208 0.000 0.860 239 R HN 0.433 nan 8.270 nan 0.000 0.438 240 I N 0.729 121.384 120.570 0.141 0.000 2.208 240 I HA -0.305 3.866 4.170 0.002 0.000 0.245 240 I C 1.936 178.107 176.117 0.090 0.000 1.097 240 I CA 1.338 62.707 61.300 0.115 0.000 1.363 240 I CB 0.029 38.111 38.000 0.137 0.000 1.051 240 I HN 0.317 nan 8.210 nan 0.000 0.413 241 L N -0.002 121.249 121.223 0.047 0.000 2.027 241 L HA -0.216 4.125 4.340 0.002 0.000 0.206 241 L C 2.508 179.394 176.870 0.027 0.000 1.074 241 L CA 1.172 56.003 54.840 -0.014 0.000 0.745 241 L CB -0.648 41.270 42.059 -0.235 0.000 0.898 241 L HN 0.261 nan 8.230 nan 0.000 0.433 242 L N -0.363 120.899 121.223 0.066 0.000 2.042 242 L HA -0.232 4.110 4.340 0.002 0.000 0.210 242 L C 2.565 179.427 176.870 -0.012 0.000 1.076 242 L CA 1.440 56.296 54.840 0.026 0.000 0.749 242 L CB -0.519 41.550 42.059 0.017 0.000 0.893 242 L HN 0.310 nan 8.230 nan 0.000 0.432 243 E N -0.256 119.954 120.200 0.017 0.000 2.158 243 E HA -0.180 4.172 4.350 0.002 0.000 0.191 243 E C 2.026 178.625 176.600 -0.002 0.000 0.982 243 E CA 0.667 57.069 56.400 0.004 0.000 0.823 243 E CB 0.020 29.739 29.700 0.032 0.000 0.766 243 E HN 0.534 nan 8.360 nan 0.000 0.468 244 E N 0.607 120.825 120.200 0.030 0.000 2.204 244 E HA -0.141 4.210 4.350 0.002 0.000 0.195 244 E C 1.805 178.406 176.600 0.002 0.000 0.990 244 E CA 0.657 57.081 56.400 0.040 0.000 0.821 244 E CB -0.037 29.730 29.700 0.112 0.000 0.750 244 E HN 0.150 nan 8.360 nan 0.000 0.477 245 M N -0.664 118.923 119.600 -0.021 0.000 2.659 245 M HA 0.031 4.513 4.480 0.002 0.000 0.243 245 M C 0.810 177.014 176.300 -0.160 0.000 1.111 245 M CA 0.984 56.243 55.300 -0.068 0.000 1.070 245 M CB 0.390 32.955 32.600 -0.058 0.000 1.525 245 M HN 0.236 nan 8.290 nan 0.000 0.517 246 G N 0.705 109.411 108.800 -0.157 0.000 2.175 246 G HA2 -0.219 3.742 3.960 0.002 0.000 0.244 246 G HA3 -0.219 3.742 3.960 0.002 0.000 0.244 246 G C -0.069 174.656 174.900 -0.292 0.000 0.982 246 G CA 0.083 45.038 45.100 -0.241 0.000 0.641 246 G HN 0.448 nan 8.290 nan 0.000 0.527 247 L N -0.228 120.857 121.223 -0.230 0.000 2.379 247 L HA 0.637 4.978 4.340 0.002 0.000 0.269 247 L C 1.005 177.850 176.870 -0.042 0.000 1.084 247 L CA -0.959 53.769 54.840 -0.186 0.000 0.802 247 L CB 1.216 43.130 42.059 -0.242 0.000 1.175 247 L HN 0.156 nan 8.230 nan 0.000 0.448 248 R N 0.972 121.493 120.500 0.035 0.000 2.246 248 R HA 0.357 4.698 4.340 0.002 0.000 0.332 248 R C -1.300 175.052 176.300 0.086 0.000 0.974 248 R CA -0.543 55.602 56.100 0.076 0.000 0.837 248 R CB 0.788 31.161 30.300 0.121 0.000 1.145 248 R HN 0.654 nan 8.270 nan 0.000 0.467 249 C N 5.291 124.637 119.300 0.077 0.000 2.383 249 C HA 0.108 4.570 4.460 0.002 0.000 0.350 249 C C 1.882 176.934 174.990 0.104 0.000 1.173 249 C CA -0.742 58.326 59.018 0.083 0.000 1.645 249 C CB -0.248 27.540 27.740 0.079 0.000 2.221 249 C HN 0.755 nan 8.230 nan 0.000 0.528 250 V N 2.717 122.695 119.914 0.107 0.000 2.548 250 V HA 0.027 4.148 4.120 0.002 0.000 0.249 250 V C 1.282 177.417 176.094 0.069 0.000 1.055 250 V CA 1.851 64.206 62.300 0.091 0.000 1.065 250 V CB -0.450 31.406 31.823 0.055 0.000 0.681 250 V HN 0.966 nan 8.190 nan 0.000 0.462 251 A N -0.895 121.988 122.820 0.105 0.000 2.572 251 A HA 0.738 5.060 4.320 0.002 0.000 0.295 251 A C -0.926 176.776 177.584 0.196 0.000 1.072 251 A CA -0.515 51.613 52.037 0.153 0.000 0.691 251 A CB 1.739 20.899 19.000 0.267 0.000 1.291 251 A HN 0.192 nan 8.150 nan 0.000 0.404 252 Q N 0.640 120.546 119.800 0.176 0.000 2.320 252 Q HA 0.315 4.657 4.340 0.002 0.000 0.268 252 Q C -1.923 174.149 176.000 0.120 0.000 1.023 252 Q CA -0.207 55.684 55.803 0.147 0.000 0.744 252 Q CB 1.400 30.198 28.738 0.100 0.000 1.246 252 Q HN 0.685 nan 8.270 nan 0.000 0.462 253 W N 2.946 124.151 121.300 -0.159 0.000 2.433 253 W HA 0.182 4.843 4.660 0.002 0.000 0.331 253 W C 0.861 177.186 176.519 -0.323 0.000 1.110 253 W CA 0.268 57.486 57.345 -0.212 0.000 1.450 253 W CB 0.388 29.721 29.460 -0.211 0.000 1.348 253 W HN 0.879 nan 8.180 nan 0.000 0.415 254 S N 1.104 116.707 115.700 -0.162 0.000 1.356 254 S HA -0.190 4.281 4.470 0.002 0.000 0.247 254 S C 1.030 175.607 174.600 -0.037 0.000 0.644 254 S CA 1.257 59.393 58.200 -0.107 0.000 1.137 254 S CB -1.611 61.647 63.200 0.095 0.000 1.260 254 S HN 0.756 nan 8.310 nan 0.000 0.500 255 G N 1.556 110.320 108.800 -0.060 0.000 2.298 255 G HA2 0.373 4.334 3.960 0.002 0.000 0.263 255 G HA3 0.373 4.334 3.960 0.002 0.000 0.263 255 G C 0.175 175.062 174.900 -0.023 0.000 1.229 255 G CA 1.010 46.089 45.100 -0.034 0.000 0.976 255 G HN 0.812 nan 8.290 nan 0.000 0.459 256 D N 0.375 120.816 120.400 0.069 0.000 2.983 256 D HA -0.138 4.504 4.640 0.002 0.000 0.225 256 D C 1.043 177.435 176.300 0.153 0.000 1.174 256 D CA 1.617 55.743 54.000 0.211 0.000 0.831 256 D CB -1.090 39.922 40.800 0.353 0.000 1.104 256 D HN 0.803 nan 8.370 nan 0.000 0.421 257 G N -0.314 108.515 108.800 0.049 0.000 2.415 257 G HA2 0.504 4.466 3.960 0.002 0.000 0.269 257 G HA3 0.504 4.466 3.960 0.002 0.000 0.269 257 G C 0.111 174.995 174.900 -0.027 0.000 1.209 257 G CA 0.172 45.256 45.100 -0.025 0.000 0.835 257 G HN 0.540 nan 8.290 nan 0.000 0.534 258 S N 1.504 117.181 115.700 -0.039 0.000 2.664 258 S HA 0.391 4.862 4.470 0.002 0.000 0.304 258 S C 1.300 175.850 174.600 -0.082 0.000 1.099 258 S CA -0.839 57.346 58.200 -0.025 0.000 1.003 258 S CB 1.805 65.013 63.200 0.012 0.000 1.092 258 S HN 0.537 nan 8.310 nan 0.000 0.525 259 I N 1.414 121.956 120.570 -0.047 0.000 2.394 259 I HA -0.168 4.003 4.170 0.002 0.000 0.251 259 I C 2.345 178.421 176.117 -0.069 0.000 1.136 259 I CA 1.659 62.920 61.300 -0.065 0.000 1.425 259 I CB -0.267 37.733 38.000 -0.000 0.000 1.079 259 I HN 0.905 nan 8.210 nan 0.000 0.425 260 S N -0.200 115.478 115.700 -0.037 0.000 2.402 260 S HA -0.176 4.296 4.470 0.002 0.000 0.229 260 S C 1.729 176.288 174.600 -0.068 0.000 1.021 260 S CA 1.024 59.203 58.200 -0.036 0.000 0.974 260 S CB -0.513 62.683 63.200 -0.006 0.000 0.800 260 S HN 0.547 nan 8.310 nan 0.000 0.484 261 E N 0.805 120.962 120.200 -0.072 0.000 2.110 261 E HA -0.062 4.289 4.350 0.002 0.000 0.193 261 E C 1.830 178.375 176.600 -0.091 0.000 0.988 261 E CA 1.079 57.436 56.400 -0.073 0.000 0.804 261 E CB -0.200 29.471 29.700 -0.047 0.000 0.745 261 E HN 0.444 nan 8.360 nan 0.000 0.458 262 I N 1.359 121.808 120.570 -0.202 0.000 2.202 262 I HA -0.209 3.963 4.170 0.002 0.000 0.242 262 I C 2.038 178.126 176.117 -0.047 0.000 1.091 262 I CA 1.452 62.582 61.300 -0.285 0.000 1.368 262 I CB -1.101 36.565 38.000 -0.557 0.000 1.058 262 I HN 0.125 nan 8.210 nan 0.000 0.410 263 E N 0.225 120.384 120.200 -0.068 0.000 2.204 263 E HA -0.186 4.166 4.350 0.002 0.000 0.195 263 E C 1.903 178.453 176.600 -0.083 0.000 0.990 263 E CA 0.701 57.079 56.400 -0.035 0.000 0.821 263 E CB -0.004 29.680 29.700 -0.026 0.000 0.750 263 E HN 0.206 nan 8.360 nan 0.000 0.477 264 L N 0.340 121.479 121.223 -0.139 0.000 2.492 264 L HA -0.014 4.327 4.340 0.002 0.000 0.223 264 L C 2.012 178.738 176.870 -0.240 0.000 1.132 264 L CA 1.358 56.023 54.840 -0.292 0.000 0.850 264 L CB -0.631 41.157 42.059 -0.450 0.000 0.966 264 L HN 0.054 nan 8.230 nan 0.000 0.454 265 T N 0.265 114.783 114.554 -0.059 0.000 2.803 265 T HA -0.116 4.236 4.350 0.002 0.000 0.269 265 T C -0.420 174.198 174.700 -0.137 0.000 1.052 265 T CA 1.087 63.189 62.100 0.002 0.000 1.136 265 T CB -0.875 68.151 68.868 0.262 0.000 0.864 265 T HN 0.193 nan 8.240 nan 0.000 0.467 266 P HA -0.125 nan 4.420 nan 0.000 0.220 266 P C 1.190 178.285 177.300 -0.342 0.000 1.142 266 P CA 1.104 63.845 63.100 -0.600 0.000 0.801 266 P CB -0.023 31.176 31.700 -0.835 0.000 0.764 267 K N -1.173 119.109 120.400 -0.197 0.000 2.367 267 K HA 0.108 4.430 4.320 0.002 0.000 0.194 267 K C 0.972 177.589 176.600 0.028 0.000 1.027 267 K CA 0.192 56.448 56.287 -0.052 0.000 1.075 267 K CB -0.559 31.933 32.500 -0.013 0.000 0.845 267 K HN 0.180 nan 8.250 nan 0.000 0.529 268 V N -0.356 119.554 119.914 -0.007 0.000 3.133 268 V HA 0.194 4.315 4.120 0.002 0.000 0.305 268 V C 1.072 177.205 176.094 0.064 0.000 1.084 268 V CA -0.431 61.903 62.300 0.057 0.000 1.089 268 V CB 0.953 32.801 31.823 0.042 0.000 1.073 268 V HN -0.098 nan 8.190 nan 0.000 0.477 269 K N 0.817 121.278 120.400 0.103 0.000 2.284 269 K HA 0.402 4.723 4.320 0.002 0.000 0.198 269 K C -0.095 176.537 176.600 0.053 0.000 1.048 269 K CA 0.575 56.909 56.287 0.078 0.000 0.987 269 K CB 0.052 32.623 32.500 0.117 0.000 0.800 269 K HN 0.676 nan 8.250 nan 0.000 0.486 270 L N 0.390 121.670 121.223 0.096 0.000 2.513 270 L HA 0.331 4.672 4.340 0.002 0.000 0.261 270 L C -1.881 175.036 176.870 0.080 0.000 0.945 270 L CA -0.424 54.462 54.840 0.077 0.000 0.848 270 L CB 2.059 44.173 42.059 0.091 0.000 1.334 270 L HN -0.065 nan 8.230 nan 0.000 0.407 271 N N 4.388 123.134 118.700 0.076 0.000 2.419 271 N HA 0.621 5.362 4.740 0.002 0.000 0.277 271 N C -1.305 174.262 175.510 0.094 0.000 1.006 271 N CA -0.529 52.544 53.050 0.037 0.000 0.923 271 N CB 1.320 39.798 38.487 -0.015 0.000 1.140 271 N HN 0.495 nan 8.380 nan 0.000 0.488 272 L N 2.995 124.251 121.223 0.055 0.000 2.259 272 L HA 0.388 4.729 4.340 0.002 0.000 0.288 272 L C -0.572 176.470 176.870 0.287 0.000 1.051 272 L CA -0.844 54.066 54.840 0.116 0.000 0.824 272 L CB 0.803 42.771 42.059 -0.152 0.000 1.206 272 L HN 0.225 nan 8.230 nan 0.000 0.429 273 V N 3.269 123.365 119.914 0.305 0.000 2.385 273 V HA 0.088 4.210 4.120 0.002 0.000 0.269 273 V C 0.869 176.944 176.094 -0.032 0.000 1.043 273 V CA -0.174 62.200 62.300 0.123 0.000 0.906 273 V CB 1.062 32.960 31.823 0.124 0.000 0.995 273 V HN 0.757 nan 8.190 nan 0.000 0.467 274 H N 3.304 122.174 119.070 -0.334 0.000 2.316 274 H HA 0.066 4.623 4.556 0.002 0.000 0.314 274 H C 1.157 176.289 175.328 -0.327 0.000 1.057 274 H CA 0.829 56.495 56.048 -0.636 0.000 1.402 274 H CB 0.771 30.147 29.762 -0.644 0.000 1.443 274 H HN 0.618 nan 8.280 nan 0.000 0.559 275 C N 2.624 121.821 119.300 -0.173 0.000 2.289 275 C HA 0.054 4.516 4.460 0.002 0.000 0.340 275 C C 1.638 176.528 174.990 -0.167 0.000 1.152 275 C CA -0.551 58.370 59.018 -0.161 0.000 1.650 275 C CB -2.182 25.572 27.740 0.023 0.000 2.203 275 C HN 0.623 nan 8.230 nan 0.000 0.511 276 Y N 4.691 124.808 120.300 -0.304 0.000 2.163 276 Y HA -0.061 4.491 4.550 0.002 0.000 0.288 276 Y C 2.410 178.098 175.900 -0.353 0.000 1.136 276 Y CA 2.104 60.023 58.100 -0.302 0.000 1.147 276 Y CB -0.323 37.994 38.460 -0.239 0.000 0.987 276 Y HN 0.685 nan 8.280 nan 0.000 0.509 277 R N 1.121 121.459 120.500 -0.271 0.000 2.094 277 R HA -0.172 4.170 4.340 0.002 0.000 0.239 277 R C 2.361 178.446 176.300 -0.360 0.000 1.137 277 R CA 2.417 58.325 56.100 -0.319 0.000 0.943 277 R CB -1.298 28.980 30.300 -0.037 0.000 0.850 277 R HN 0.516 nan 8.270 nan 0.000 0.433 278 S N -1.334 114.158 115.700 -0.347 0.000 2.461 278 S HA 0.028 4.499 4.470 0.002 0.000 0.228 278 S C 1.596 176.061 174.600 -0.225 0.000 1.005 278 S CA 0.940 58.872 58.200 -0.447 0.000 0.942 278 S CB 0.154 62.957 63.200 -0.662 0.000 0.776 278 S HN 0.254 nan 8.310 nan 0.000 0.514 279 M N 1.875 121.257 119.600 -0.363 0.000 2.347 279 M HA 0.245 4.727 4.480 0.002 0.000 0.324 279 M C 1.039 176.953 176.300 -0.643 0.000 1.028 279 M CA 0.217 55.303 55.300 -0.357 0.000 0.988 279 M CB -0.254 32.184 32.600 -0.270 0.000 1.528 279 M HN 0.589 nan 8.290 nan 0.000 0.550 280 N N 0.279 118.368 118.700 -1.019 0.000 2.309 280 N HA -0.191 4.550 4.740 0.002 0.000 0.182 280 N C 1.272 176.217 175.510 -0.940 0.000 1.018 280 N CA 1.518 53.842 53.050 -1.210 0.000 0.876 280 N CB -0.501 37.018 38.487 -1.613 0.000 0.972 280 N HN 0.190 nan 8.380 nan 0.000 0.434 281 Y N 0.365 120.359 120.300 -0.509 0.000 2.070 281 Y HA -0.082 4.469 4.550 0.002 0.000 0.280 281 Y C 2.239 177.992 175.900 -0.244 0.000 1.148 281 Y CA 0.681 58.565 58.100 -0.360 0.000 1.125 281 Y CB -0.800 37.437 38.460 -0.371 0.000 0.975 281 Y HN 0.130 nan 8.280 nan 0.000 0.492 282 I N -0.536 119.985 120.570 -0.083 0.000 2.546 282 I HA -0.193 3.978 4.170 0.002 0.000 0.255 282 I C 2.129 178.117 176.117 -0.215 0.000 1.163 282 I CA 1.049 62.305 61.300 -0.072 0.000 1.457 282 I CB -0.509 37.454 38.000 -0.061 0.000 1.092 282 I HN 0.058 nan 8.210 nan 0.000 0.434 283 S N 0.440 115.842 115.700 -0.497 0.000 2.348 283 S HA -0.180 4.292 4.470 0.002 0.000 0.221 283 S C 2.072 176.347 174.600 -0.541 0.000 1.033 283 S CA 1.216 58.981 58.200 -0.724 0.000 1.010 283 S CB -0.302 62.068 63.200 -1.383 0.000 0.891 283 S HN 0.333 nan 8.310 nan 0.000 0.442 284 R N 0.941 121.171 120.500 -0.449 0.000 2.103 284 R HA -0.081 4.260 4.340 0.002 0.000 0.242 284 R C 2.262 178.588 176.300 0.044 0.000 1.142 284 R CA 1.608 57.689 56.100 -0.031 0.000 0.960 284 R CB -0.948 29.356 30.300 0.008 0.000 0.858 284 R HN 0.606 nan 8.270 nan 0.000 0.439 285 H N -0.076 118.966 119.070 -0.047 0.000 2.353 285 H HA -0.054 4.504 4.556 0.002 0.000 0.300 285 H C 1.705 177.045 175.328 0.020 0.000 1.090 285 H CA 1.897 57.943 56.048 -0.004 0.000 1.327 285 H CB 0.057 29.828 29.762 0.015 0.000 1.383 285 H HN 0.177 nan 8.280 nan 0.000 0.508 286 M N 0.315 119.904 119.600 -0.018 0.000 2.296 286 M HA -0.113 4.368 4.480 0.002 0.000 0.265 286 M C 2.339 178.683 176.300 0.073 0.000 1.064 286 M CA 1.320 56.677 55.300 0.095 0.000 1.109 286 M CB -0.100 32.582 32.600 0.136 0.000 1.396 286 M HN 0.374 nan 8.290 nan 0.000 0.430 287 E N 0.866 121.108 120.200 0.071 0.000 2.028 287 E HA -0.179 4.172 4.350 0.002 0.000 0.190 287 E C 1.730 178.334 176.600 0.007 0.000 0.984 287 E CA 1.138 57.602 56.400 0.107 0.000 0.800 287 E CB 0.150 29.991 29.700 0.235 0.000 0.758 287 E HN 0.471 nan 8.360 nan 0.000 0.448 288 E N 0.300 120.475 120.200 -0.041 0.000 2.077 288 E HA -0.208 4.143 4.350 0.002 0.000 0.193 288 E C 2.027 178.515 176.600 -0.187 0.000 0.989 288 E CA 1.139 57.488 56.400 -0.084 0.000 0.800 288 E CB 0.052 29.717 29.700 -0.058 0.000 0.746 288 E HN 0.079 nan 8.360 nan 0.000 0.452 289 K N -0.421 119.747 120.400 -0.386 0.000 2.128 289 K HA -0.052 4.269 4.320 0.002 0.000 0.202 289 K C 0.928 177.204 176.600 -0.541 0.000 1.050 289 K CA 0.795 56.739 56.287 -0.571 0.000 0.966 289 K CB 0.250 32.145 32.500 -1.008 0.000 0.759 289 K HN 0.096 nan 8.250 nan 0.000 0.454 290 Y N -0.720 119.513 120.300 -0.112 0.000 2.481 290 Y HA 0.312 4.864 4.550 0.002 0.000 0.247 290 Y C 1.089 176.971 175.900 -0.030 0.000 1.151 290 Y CA 0.044 58.113 58.100 -0.052 0.000 1.238 290 Y CB 1.178 39.616 38.460 -0.037 0.000 1.179 290 Y HN 0.295 nan 8.280 nan 0.000 0.524 291 G N 1.132 109.976 108.800 0.073 0.000 2.168 291 G HA2 -0.327 3.635 3.960 0.002 0.000 0.263 291 G HA3 -0.327 3.635 3.960 0.002 0.000 0.263 291 G C 0.142 175.081 174.900 0.065 0.000 0.977 291 G CA 0.194 45.324 45.100 0.051 0.000 0.659 291 G HN 0.353 nan 8.290 nan 0.000 0.533 292 I N 3.185 123.818 120.570 0.104 0.000 2.452 292 I HA 0.233 4.405 4.170 0.002 0.000 0.287 292 I C -1.162 175.017 176.117 0.105 0.000 1.079 292 I CA -1.879 59.474 61.300 0.087 0.000 1.387 292 I CB 0.813 38.865 38.000 0.087 0.000 1.404 292 I HN -0.017 nan 8.210 nan 0.000 0.522 293 P HA 0.128 nan 4.420 nan 0.000 0.276 293 P C -1.340 176.032 177.300 0.120 0.000 1.244 293 P CA -0.251 62.864 63.100 0.025 0.000 0.801 293 P CB 0.823 32.478 31.700 -0.073 0.000 1.006 294 W N 2.474 123.747 121.300 -0.045 0.000 3.033 294 W HA 0.663 5.325 4.660 0.002 0.000 0.336 294 W C -1.394 175.112 176.519 -0.021 0.000 1.173 294 W CA -1.336 55.984 57.345 -0.041 0.000 1.185 294 W CB 1.040 30.465 29.460 -0.057 0.000 1.425 294 W HN 0.333 nan 8.180 nan 0.000 0.536 295 M N 0.585 120.305 119.600 0.200 0.000 2.550 295 M HA 0.579 5.060 4.480 0.002 0.000 0.292 295 M C -1.296 175.159 176.300 0.258 0.000 1.221 295 M CA -0.707 54.639 55.300 0.076 0.000 0.873 295 M CB 3.239 35.846 32.600 0.012 0.000 1.727 295 M HN 0.449 nan 8.290 nan 0.000 0.459 296 E N 1.919 122.234 120.200 0.192 0.000 2.301 296 E HA 0.499 4.850 4.350 0.002 0.000 0.275 296 E C -1.585 175.134 176.600 0.198 0.000 1.030 296 E CA -0.244 56.274 56.400 0.195 0.000 0.852 296 E CB 1.144 30.907 29.700 0.105 0.000 1.060 296 E HN 0.604 nan 8.360 nan 0.000 0.401 297 Y N 0.442 120.767 120.300 0.041 0.000 2.805 297 Y HA 0.652 5.203 4.550 0.002 0.000 0.323 297 Y C -1.110 174.837 175.900 0.078 0.000 1.279 297 Y CA -1.524 56.576 58.100 0.000 0.000 1.103 297 Y CB 1.331 39.716 38.460 -0.125 0.000 1.324 297 Y HN 0.303 nan 8.280 nan 0.000 0.498 298 N N 0.738 119.487 118.700 0.082 0.000 2.599 298 N HA 0.224 4.965 4.740 0.002 0.000 0.283 298 N C -2.070 173.597 175.510 0.261 0.000 1.160 298 N CA -0.644 52.398 53.050 -0.014 0.000 0.869 298 N CB 0.451 38.718 38.487 -0.366 0.000 1.448 298 N HN 0.631 nan 8.380 nan 0.000 0.535 299 F N 2.833 122.753 119.950 -0.050 0.000 2.974 299 F HA 0.428 4.956 4.527 0.002 0.000 0.292 299 F C -0.409 175.135 175.800 -0.426 0.000 1.209 299 F CA -0.755 57.058 58.000 -0.311 0.000 1.366 299 F CB -0.793 37.954 39.000 -0.423 0.000 1.033 299 F HN 0.300 nan 8.300 nan 0.000 0.516 300 F N 0.393 120.296 119.950 -0.079 0.000 2.402 300 F HA 0.600 5.128 4.527 0.002 0.000 0.355 300 F C 0.771 176.374 175.800 -0.327 0.000 1.123 300 F CA -0.855 57.032 58.000 -0.189 0.000 1.021 300 F CB 1.137 40.031 39.000 -0.176 0.000 1.160 300 F HN 0.264 nan 8.300 nan 0.000 0.451 301 G N 5.247 113.924 108.800 -0.205 0.000 2.755 301 G HA2 -0.166 3.796 3.960 0.002 0.000 0.686 301 G HA3 -0.166 3.796 3.960 0.002 0.000 0.686 301 G C -2.079 172.403 174.900 -0.697 0.000 1.427 301 G CA -0.758 44.031 45.100 -0.519 0.000 0.873 301 G HN 0.442 nan 8.290 nan 0.000 0.580 302 P HA -0.151 nan 4.420 nan 0.000 0.215 302 P C 1.858 178.756 177.300 -0.669 0.000 1.157 302 P CA 2.505 65.062 63.100 -0.904 0.000 0.868 302 P CB -0.176 30.532 31.700 -1.655 0.000 0.788 303 T N 0.805 115.000 114.554 -0.599 0.000 2.635 303 T HA -0.139 4.212 4.350 0.002 0.000 0.267 303 T C 1.852 176.399 174.700 -0.254 0.000 1.040 303 T CA 1.609 63.492 62.100 -0.360 0.000 1.156 303 T CB -0.434 68.268 68.868 -0.277 0.000 0.863 303 T HN 0.117 nan 8.240 nan 0.000 0.430 304 K N 0.829 121.078 120.400 -0.251 0.000 2.097 304 K HA 0.045 4.367 4.320 0.002 0.000 0.205 304 K C 2.555 179.079 176.600 -0.127 0.000 1.050 304 K CA 1.052 57.242 56.287 -0.162 0.000 0.938 304 K CB -1.006 31.405 32.500 -0.149 0.000 0.718 304 K HN 0.349 nan 8.250 nan 0.000 0.442 305 T N 2.001 116.383 114.554 -0.287 0.000 2.737 305 T HA -0.028 4.323 4.350 0.002 0.000 0.265 305 T C 2.087 176.610 174.700 -0.295 0.000 1.038 305 T CA 0.997 62.829 62.100 -0.447 0.000 1.144 305 T CB -0.172 68.028 68.868 -1.114 0.000 0.866 305 T HN 0.096 nan 8.240 nan 0.000 0.434 306 I N 0.997 121.445 120.570 -0.202 0.000 2.163 306 I HA -0.186 3.985 4.170 0.002 0.000 0.243 306 I C 2.794 178.902 176.117 -0.015 0.000 1.085 306 I CA 1.444 62.722 61.300 -0.036 0.000 1.347 306 I CB -0.375 37.618 38.000 -0.012 0.000 1.044 306 I HN 0.337 nan 8.210 nan 0.000 0.408 307 E N 0.841 121.019 120.200 -0.036 0.000 2.058 307 E HA -0.228 4.123 4.350 0.002 0.000 0.194 307 E C 2.252 178.874 176.600 0.037 0.000 0.997 307 E CA 1.929 58.324 56.400 -0.008 0.000 0.801 307 E CB 0.076 29.755 29.700 -0.035 0.000 0.746 307 E HN 0.412 nan 8.360 nan 0.000 0.450 308 S N 0.821 116.572 115.700 0.086 0.000 2.355 308 S HA -0.117 4.355 4.470 0.002 0.000 0.222 308 S C 2.058 176.758 174.600 0.167 0.000 1.031 308 S CA 0.945 59.252 58.200 0.178 0.000 0.993 308 S CB -0.290 63.142 63.200 0.387 0.000 0.859 308 S HN 0.262 nan 8.310 nan 0.000 0.453 309 L N 1.110 122.431 121.223 0.163 0.000 2.042 309 L HA -0.169 4.172 4.340 0.002 0.000 0.210 309 L C 2.776 179.691 176.870 0.074 0.000 1.076 309 L CA 1.384 56.288 54.840 0.106 0.000 0.749 309 L CB -0.431 41.647 42.059 0.031 0.000 0.893 309 L HN 0.254 nan 8.230 nan 0.000 0.432 310 R N -0.485 120.052 120.500 0.062 0.000 2.090 310 R HA -0.083 4.258 4.340 0.002 0.000 0.228 310 R C 2.401 178.735 176.300 0.057 0.000 1.110 310 R CA 1.169 57.301 56.100 0.054 0.000 0.973 310 R CB -0.448 29.877 30.300 0.041 0.000 0.869 310 R HN 0.352 nan 8.270 nan 0.000 0.440 311 A N 1.651 124.503 122.820 0.054 0.000 1.877 311 A HA -0.152 4.169 4.320 0.002 0.000 0.216 311 A C 2.190 179.812 177.584 0.063 0.000 1.186 311 A CA 1.240 53.304 52.037 0.045 0.000 0.620 311 A CB -0.532 18.492 19.000 0.040 0.000 0.822 311 A HN 0.153 nan 8.150 nan 0.000 0.443 312 I N -0.152 120.464 120.570 0.077 0.000 2.163 312 I HA -0.320 3.851 4.170 0.002 0.000 0.243 312 I C 2.983 179.251 176.117 0.251 0.000 1.085 312 I CA 1.230 62.604 61.300 0.123 0.000 1.347 312 I CB -0.382 37.644 38.000 0.043 0.000 1.044 312 I HN 0.363 nan 8.210 nan 0.000 0.408 313 A N 0.659 123.585 122.820 0.177 0.000 1.940 313 A HA -0.171 4.151 4.320 0.002 0.000 0.219 313 A C 2.505 180.224 177.584 0.225 0.000 1.176 313 A CA 1.821 53.979 52.037 0.201 0.000 0.631 313 A CB -0.829 18.225 19.000 0.089 0.000 0.814 313 A HN 0.458 nan 8.150 nan 0.000 0.446 314 A N -0.599 122.300 122.820 0.131 0.000 2.070 314 A HA -0.095 4.227 4.320 0.002 0.000 0.220 314 A C 1.851 179.464 177.584 0.048 0.000 1.159 314 A CA 1.905 53.990 52.037 0.079 0.000 0.656 314 A CB -0.292 18.731 19.000 0.037 0.000 0.800 314 A HN 0.379 nan 8.150 nan 0.000 0.453 315 K N -1.328 119.087 120.400 0.026 0.000 2.525 315 K HA 0.237 4.559 4.320 0.002 0.000 0.192 315 K C 0.001 176.366 176.600 -0.391 0.000 1.029 315 K CA 0.374 56.547 56.287 -0.189 0.000 1.029 315 K CB -0.243 32.081 32.500 -0.294 0.000 0.814 315 K HN 0.572 nan 8.250 nan 0.000 0.503 316 F N -0.501 119.480 119.950 0.052 0.000 3.103 316 F HA 0.252 4.780 4.527 0.002 0.000 0.165 316 F C 0.460 176.316 175.800 0.094 0.000 1.556 316 F CA -0.698 57.363 58.000 0.102 0.000 0.907 316 F CB 0.104 39.200 39.000 0.159 0.000 1.988 316 F HN -0.052 nan 8.300 nan 0.000 0.364 317 D N -1.323 119.291 120.400 0.357 0.000 2.714 317 D HA 0.181 4.822 4.640 0.002 0.000 0.278 317 D C 0.408 176.789 176.300 0.136 0.000 1.102 317 D CA -0.546 53.576 54.000 0.203 0.000 1.108 317 D CB 0.278 41.209 40.800 0.219 0.000 1.444 317 D HN 0.421 nan 8.370 nan 0.000 0.568 318 E N -0.448 119.806 120.200 0.091 0.000 2.118 318 E HA -0.204 4.148 4.350 0.002 0.000 0.195 318 E C 1.641 178.261 176.600 0.034 0.000 0.992 318 E CA 1.725 58.158 56.400 0.056 0.000 0.804 318 E CB 0.020 29.746 29.700 0.044 0.000 0.741 318 E HN 0.492 nan 8.360 nan 0.000 0.458 319 S N 0.678 116.395 115.700 0.030 0.000 2.368 319 S HA -0.144 4.327 4.470 0.002 0.000 0.225 319 S C 2.007 176.562 174.600 -0.075 0.000 1.030 319 S CA 0.840 59.028 58.200 -0.020 0.000 0.999 319 S CB -0.280 62.906 63.200 -0.024 0.000 0.844 319 S HN 0.189 nan 8.310 nan 0.000 0.459 320 I N 2.442 122.949 120.570 -0.104 0.000 2.315 320 I HA -0.117 4.055 4.170 0.002 0.000 0.248 320 I C 2.718 178.803 176.117 -0.054 0.000 1.117 320 I CA 1.254 62.459 61.300 -0.159 0.000 1.404 320 I CB -1.594 36.285 38.000 -0.202 0.000 1.071 320 I HN 0.412 nan 8.210 nan 0.000 0.419 321 Q N 0.380 120.185 119.800 0.007 0.000 2.167 321 Q HA -0.160 4.182 4.340 0.002 0.000 0.202 321 Q C 2.211 178.217 176.000 0.009 0.000 0.970 321 Q CA 1.190 57.008 55.803 0.024 0.000 0.855 321 Q CB 0.011 28.775 28.738 0.043 0.000 0.911 321 Q HN 0.453 nan 8.270 nan 0.000 0.438 322 K N 0.745 121.144 120.400 -0.002 0.000 2.025 322 K HA -0.124 4.198 4.320 0.002 0.000 0.207 322 K C 1.969 178.562 176.600 -0.011 0.000 1.049 322 K CA 1.105 57.389 56.287 -0.005 0.000 0.933 322 K CB 0.002 32.496 32.500 -0.010 0.000 0.714 322 K HN 0.046 nan 8.250 nan 0.000 0.438 323 K N 0.538 120.919 120.400 -0.032 0.000 2.103 323 K HA -0.187 4.134 4.320 0.002 0.000 0.207 323 K C 2.383 178.977 176.600 -0.009 0.000 1.048 323 K CA 1.357 57.623 56.287 -0.035 0.000 0.930 323 K CB -0.379 32.073 32.500 -0.080 0.000 0.716 323 K HN 0.252 nan 8.250 nan 0.000 0.444 324 C N 1.865 121.162 119.300 -0.006 0.000 2.413 324 C HA -0.122 4.339 4.460 0.002 0.000 0.276 324 C C 2.350 177.366 174.990 0.043 0.000 1.236 324 C CA 1.143 60.174 59.018 0.022 0.000 1.735 324 C CB -0.599 27.156 27.740 0.025 0.000 2.031 324 C HN 0.404 nan 8.230 nan 0.000 0.474 325 E N 0.634 120.853 120.200 0.032 0.000 2.268 325 E HA -0.120 4.231 4.350 0.002 0.000 0.195 325 E C 2.070 178.689 176.600 0.032 0.000 0.995 325 E CA 1.066 57.487 56.400 0.035 0.000 0.836 325 E CB -0.475 29.240 29.700 0.024 0.000 0.763 325 E HN 0.762 nan 8.360 nan 0.000 0.491 326 E N 0.264 120.478 120.200 0.024 0.000 2.046 326 E HA -0.088 4.264 4.350 0.002 0.000 0.190 326 E C 2.224 178.850 176.600 0.044 0.000 0.982 326 E CA 0.892 57.302 56.400 0.018 0.000 0.800 326 E CB 0.051 29.754 29.700 0.005 0.000 0.756 326 E HN 0.018 nan 8.360 nan 0.000 0.449 327 V N 1.815 121.779 119.914 0.084 0.000 2.295 327 V HA -0.270 3.851 4.120 0.002 0.000 0.246 327 V C 2.299 178.517 176.094 0.207 0.000 1.049 327 V CA 1.579 63.987 62.300 0.181 0.000 1.024 327 V CB -0.411 31.515 31.823 0.172 0.000 0.648 327 V HN 0.267 nan 8.190 nan 0.000 0.447 328 I N 0.340 120.994 120.570 0.140 0.000 2.226 328 I HA -0.257 3.914 4.170 0.002 0.000 0.245 328 I C 2.616 178.766 176.117 0.055 0.000 1.100 328 I CA 1.577 62.948 61.300 0.118 0.000 1.374 328 I CB -0.545 37.530 38.000 0.125 0.000 1.057 328 I HN 0.309 nan 8.210 nan 0.000 0.413 329 A N 0.475 123.313 122.820 0.030 0.000 1.930 329 A HA -0.224 4.097 4.320 0.002 0.000 0.217 329 A C 2.396 179.938 177.584 -0.069 0.000 1.175 329 A CA 1.550 53.576 52.037 -0.020 0.000 0.627 329 A CB -0.450 18.537 19.000 -0.022 0.000 0.815 329 A HN 0.342 nan 8.150 nan 0.000 0.443 330 K N -1.369 118.992 120.400 -0.066 0.000 2.026 330 K HA -0.184 4.137 4.320 0.002 0.000 0.208 330 K C 1.550 177.964 176.600 -0.310 0.000 1.048 330 K CA 1.871 58.047 56.287 -0.186 0.000 0.929 330 K CB -0.320 32.056 32.500 -0.207 0.000 0.713 330 K HN 0.540 nan 8.250 nan 0.000 0.439 331 Y N 0.906 121.047 120.300 -0.265 0.000 2.544 331 Y HA 0.023 4.575 4.550 0.002 0.000 0.286 331 Y C 2.196 177.871 175.900 -0.374 0.000 1.141 331 Y CA 0.615 58.481 58.100 -0.391 0.000 1.299 331 Y CB 0.088 38.007 38.460 -0.902 0.000 1.030 331 Y HN 0.091 nan 8.280 nan 0.000 0.543 332 K N 1.167 121.437 120.400 -0.217 0.000 2.020 332 K HA -0.190 4.131 4.320 0.002 0.000 0.212 332 K C -0.757 175.466 176.600 -0.628 0.000 1.050 332 K CA 1.833 57.851 56.287 -0.448 0.000 0.929 332 K CB -1.097 31.261 32.500 -0.236 0.000 0.714 332 K HN 0.179 nan 8.250 nan 0.000 0.443 333 P HA -0.176 nan 4.420 nan 0.000 0.216 333 P C 0.545 177.698 177.300 -0.245 0.000 1.150 333 P CA 1.582 64.501 63.100 -0.302 0.000 0.837 333 P CB -0.018 31.560 31.700 -0.202 0.000 0.786 334 E N -0.100 119.995 120.200 -0.174 0.000 2.028 334 E HA -0.134 4.218 4.350 0.002 0.000 0.191 334 E C 2.334 178.999 176.600 0.108 0.000 0.988 334 E CA 1.227 57.618 56.400 -0.014 0.000 0.799 334 E CB -0.700 29.032 29.700 0.054 0.000 0.755 334 E HN 0.507 nan 8.360 nan 0.000 0.447 335 W N 1.571 122.925 121.300 0.090 0.000 2.467 335 W HA -0.019 4.642 4.660 0.002 0.000 0.275 335 W C 1.128 177.754 176.519 0.179 0.000 1.239 335 W CA 0.527 57.998 57.345 0.209 0.000 1.266 335 W CB -0.385 29.170 29.460 0.158 0.000 1.112 335 W HN 0.013 nan 8.180 nan 0.000 0.576 336 E N 1.240 121.167 120.200 -0.454 0.000 2.150 336 E HA -0.130 4.222 4.350 0.002 0.000 0.193 336 E C 2.625 179.174 176.600 -0.084 0.000 0.985 336 E CA 1.406 57.551 56.400 -0.424 0.000 0.814 336 E CB -0.211 29.081 29.700 -0.681 0.000 0.752 336 E HN 0.319 nan 8.360 nan 0.000 0.466 337 A N 0.850 123.635 122.820 -0.058 0.000 1.898 337 A HA -0.120 4.201 4.320 0.002 0.000 0.216 337 A C 2.467 180.086 177.584 0.058 0.000 1.181 337 A CA 0.961 52.989 52.037 -0.015 0.000 0.620 337 A CB -0.501 18.487 19.000 -0.020 0.000 0.819 337 A HN 0.099 nan 8.150 nan 0.000 0.442 338 V N 0.453 120.482 119.914 0.191 0.000 2.295 338 V HA -0.247 3.875 4.120 0.002 0.000 0.246 338 V C 2.730 179.010 176.094 0.309 0.000 1.049 338 V CA 2.082 64.554 62.300 0.288 0.000 1.024 338 V CB -1.005 31.062 31.823 0.406 0.000 0.648 338 V HN 0.566 nan 8.190 nan 0.000 0.447 339 V N -0.728 119.426 119.914 0.400 0.000 2.427 339 V HA -0.092 4.030 4.120 0.002 0.000 0.248 339 V C 2.531 178.727 176.094 0.170 0.000 1.051 339 V CA 1.667 64.178 62.300 0.353 0.000 1.048 339 V CB -1.502 30.584 31.823 0.439 0.000 0.666 339 V HN 0.387 nan 8.190 nan 0.000 0.456 340 A N 0.679 123.552 122.820 0.088 0.000 1.933 340 A HA -0.224 4.098 4.320 0.002 0.000 0.218 340 A C 2.414 179.967 177.584 -0.052 0.000 1.175 340 A CA 2.378 54.422 52.037 0.011 0.000 0.628 340 A CB -0.540 18.445 19.000 -0.025 0.000 0.814 340 A HN 0.638 nan 8.150 nan 0.000 0.444 341 K N -2.128 118.188 120.400 -0.139 0.000 2.044 341 K HA -0.088 4.233 4.320 0.002 0.000 0.204 341 K C 1.664 178.046 176.600 -0.364 0.000 1.049 341 K CA 1.485 57.564 56.287 -0.346 0.000 0.945 341 K CB -0.225 31.901 32.500 -0.623 0.000 0.724 341 K HN 0.488 nan 8.250 nan 0.000 0.440 342 Y N 0.114 120.419 120.300 0.008 0.000 2.503 342 Y HA 0.178 4.729 4.550 0.002 0.000 0.277 342 Y C 2.277 178.179 175.900 0.003 0.000 1.102 342 Y CA 0.289 58.377 58.100 -0.020 0.000 1.261 342 Y CB -0.097 38.310 38.460 -0.088 0.000 1.096 342 Y HN 0.009 nan 8.280 nan 0.000 0.546 343 R N 0.720 121.327 120.500 0.179 0.000 2.083 343 R HA -0.147 4.194 4.340 0.002 0.000 0.237 343 R C -0.910 175.447 176.300 0.094 0.000 1.137 343 R CA 1.779 57.965 56.100 0.143 0.000 0.951 343 R CB -1.283 29.111 30.300 0.156 0.000 0.851 343 R HN 0.194 nan 8.270 nan 0.000 0.434 344 P HA -0.150 nan 4.420 nan 0.000 0.218 344 P C 0.469 177.796 177.300 0.045 0.000 1.146 344 P CA 1.331 64.457 63.100 0.043 0.000 0.813 344 P CB -0.084 31.628 31.700 0.021 0.000 0.778 345 R N -1.240 119.297 120.500 0.061 0.000 2.240 345 R HA 0.176 4.517 4.340 0.002 0.000 0.203 345 R C 1.512 177.848 176.300 0.060 0.000 1.011 345 R CA 0.826 56.966 56.100 0.067 0.000 1.007 345 R CB -0.306 30.058 30.300 0.107 0.000 0.911 345 R HN 0.335 nan 8.270 nan 0.000 0.468 346 L N -0.164 121.096 121.223 0.061 0.000 3.039 346 L HA 0.209 4.550 4.340 0.002 0.000 0.269 346 L C 0.341 177.239 176.870 0.048 0.000 1.169 346 L CA -0.263 54.604 54.840 0.045 0.000 0.986 346 L CB 0.545 42.626 42.059 0.038 0.000 1.377 346 L HN -0.112 nan 8.230 nan 0.000 0.575 347 E N 1.706 121.938 120.200 0.053 0.000 2.652 347 E HA -0.006 4.345 4.350 0.002 0.000 0.255 347 E C 1.203 177.822 176.600 0.033 0.000 0.952 347 E CA 1.295 57.725 56.400 0.049 0.000 0.947 347 E CB 0.624 30.352 29.700 0.046 0.000 0.912 347 E HN 0.402 nan 8.360 nan 0.000 0.489 348 G N 3.843 112.661 108.800 0.030 0.000 2.189 348 G HA2 -0.277 3.684 3.960 0.002 0.000 0.267 348 G HA3 -0.277 3.684 3.960 0.002 0.000 0.267 348 G C 0.288 175.189 174.900 0.002 0.000 0.975 348 G CA 0.480 45.589 45.100 0.015 0.000 0.644 348 G HN 0.380 nan 8.290 nan 0.000 0.537 349 K N 0.504 120.905 120.400 0.002 0.000 2.237 349 K HA 0.431 4.752 4.320 0.002 0.000 0.270 349 K C 0.821 177.398 176.600 -0.040 0.000 1.015 349 K CA -0.165 56.109 56.287 -0.021 0.000 0.949 349 K CB 0.697 33.184 32.500 -0.021 0.000 0.976 349 K HN 0.436 nan 8.250 nan 0.000 0.472 350 R N 0.828 121.287 120.500 -0.068 0.000 2.460 350 R HA 0.456 4.797 4.340 0.002 0.000 0.303 350 R C -0.559 175.657 176.300 -0.141 0.000 0.968 350 R CA -0.824 55.221 56.100 -0.093 0.000 0.889 350 R CB 1.403 31.657 30.300 -0.077 0.000 1.123 350 R HN 0.201 nan 8.270 nan 0.000 0.455 351 V N 4.013 123.811 119.914 -0.193 0.000 2.555 351 V HA 0.457 4.579 4.120 0.002 0.000 0.302 351 V C -0.092 175.876 176.094 -0.210 0.000 1.038 351 V CA -0.737 61.397 62.300 -0.277 0.000 0.887 351 V CB 1.912 33.402 31.823 -0.555 0.000 0.991 351 V HN 0.701 nan 8.190 nan 0.000 0.434 352 M N 5.025 124.533 119.600 -0.154 0.000 2.243 352 M HA 0.618 5.099 4.480 0.002 0.000 0.324 352 M C -1.255 175.072 176.300 0.044 0.000 1.031 352 M CA -0.306 54.986 55.300 -0.013 0.000 0.949 352 M CB 1.865 34.482 32.600 0.029 0.000 1.615 352 M HN 0.472 nan 8.290 nan 0.000 0.430 353 L N 2.570 123.853 121.223 0.100 0.000 2.319 353 L HA 0.644 4.985 4.340 0.002 0.000 0.267 353 L C -1.496 175.533 176.870 0.265 0.000 1.011 353 L CA -0.969 53.925 54.840 0.090 0.000 0.818 353 L CB 2.071 44.080 42.059 -0.084 0.000 1.316 353 L HN 0.553 nan 8.230 nan 0.000 0.432 354 Y N 2.196 122.502 120.300 0.010 0.000 2.274 354 Y HA 0.612 5.163 4.550 0.002 0.000 0.323 354 Y C -1.246 174.602 175.900 -0.086 0.000 1.171 354 Y CA -0.752 57.307 58.100 -0.069 0.000 1.163 354 Y CB 0.683 38.956 38.460 -0.311 0.000 1.183 354 Y HN 0.394 nan 8.280 nan 0.000 0.424 355 I N 2.035 122.233 120.570 -0.619 0.000 3.850 355 I HA 0.652 4.824 4.170 0.002 0.000 0.272 355 I C 1.039 176.747 176.117 -0.680 0.000 1.109 355 I CA -0.763 60.192 61.300 -0.574 0.000 1.282 355 I CB 0.793 38.493 38.000 -0.499 0.000 1.337 355 I HN 0.550 nan 8.210 nan 0.000 0.438 356 G N -0.291 108.155 108.800 -0.590 0.000 2.655 356 G HA2 0.317 4.279 3.960 0.002 0.000 0.217 356 G HA3 0.317 4.279 3.960 0.002 0.000 0.217 356 G C 0.887 175.093 174.900 -1.156 0.000 1.279 356 G CA 0.827 45.416 45.100 -0.851 0.000 0.870 356 G HN 0.812 nan 8.290 nan 0.000 0.560 357 G N -1.266 107.168 108.800 -0.611 0.000 4.399 357 G HA2 0.404 4.365 3.960 0.002 0.000 0.268 357 G HA3 0.404 4.365 3.960 0.002 0.000 0.268 357 G C 0.328 175.227 174.900 -0.002 0.000 1.038 357 G CA 0.632 45.578 45.100 -0.256 0.000 0.811 357 G HN 0.455 nan 8.290 nan 0.000 0.408 358 L N -1.271 119.944 121.223 -0.013 0.000 2.230 358 L HA 0.513 4.855 4.340 0.002 0.000 0.164 358 L C 2.169 178.961 176.870 -0.129 0.000 1.237 358 L CA 0.481 55.267 54.840 -0.090 0.000 1.030 358 L CB -0.322 41.624 42.059 -0.188 0.000 2.103 358 L HN -0.080 nan 8.230 nan 0.000 0.490 359 R N 0.718 121.135 120.500 -0.139 0.000 2.170 359 R HA -0.125 4.216 4.340 0.002 0.000 0.242 359 R C -1.003 175.128 176.300 -0.281 0.000 1.145 359 R CA 2.169 58.167 56.100 -0.171 0.000 0.984 359 R CB -1.461 28.769 30.300 -0.117 0.000 0.869 359 R HN 0.365 nan 8.270 nan 0.000 0.455 360 P HA -0.240 nan 4.420 nan 0.000 0.217 360 P C 0.620 177.653 177.300 -0.444 0.000 1.151 360 P CA 1.697 64.414 63.100 -0.639 0.000 0.849 360 P CB 0.006 30.867 31.700 -1.398 0.000 0.787 361 R N -2.638 117.695 120.500 -0.279 0.000 2.221 361 R HA 0.113 4.454 4.340 0.002 0.000 0.195 361 R C 2.057 178.338 176.300 -0.032 0.000 0.956 361 R CA 0.369 56.407 56.100 -0.104 0.000 1.064 361 R CB -1.094 29.218 30.300 0.020 0.000 1.049 361 R HN 0.228 nan 8.270 nan 0.000 0.534 362 H N 1.123 120.071 119.070 -0.203 0.000 2.495 362 H HA -0.011 4.547 4.556 0.002 0.000 0.287 362 H C 1.801 176.908 175.328 -0.368 0.000 1.033 362 H CA 1.557 57.485 56.048 -0.200 0.000 1.307 362 H CB 0.723 30.412 29.762 -0.121 0.000 1.401 362 H HN 0.226 nan 8.280 nan 0.000 0.555 363 V N -2.073 117.579 119.914 -0.437 0.000 3.608 363 V HA -0.006 4.115 4.120 0.002 0.000 0.269 363 V C 2.009 178.012 176.094 -0.152 0.000 1.245 363 V CA 0.367 62.320 62.300 -0.578 0.000 1.138 363 V CB -0.468 31.018 31.823 -0.561 0.000 0.841 363 V HN 0.232 nan 8.190 nan 0.000 0.451 364 I N 2.397 122.937 120.570 -0.050 0.000 2.194 364 I HA -0.157 4.015 4.170 0.002 0.000 0.246 364 I C 2.733 178.875 176.117 0.040 0.000 1.093 364 I CA 2.039 63.370 61.300 0.052 0.000 1.355 364 I CB -0.910 37.070 38.000 -0.034 0.000 1.046 364 I HN 0.462 nan 8.210 nan 0.000 0.413 365 G N 0.379 109.144 108.800 -0.058 0.000 2.418 365 G HA2 -0.219 3.743 3.960 0.002 0.000 0.217 365 G HA3 -0.219 3.743 3.960 0.002 0.000 0.217 365 G C 1.869 176.724 174.900 -0.074 0.000 1.158 365 G CA 0.784 45.839 45.100 -0.074 0.000 0.771 365 G HN 0.501 nan 8.290 nan 0.000 0.545 366 A N -0.014 122.719 122.820 -0.145 0.000 1.933 366 A HA 0.009 4.330 4.320 0.002 0.000 0.218 366 A C 2.210 179.832 177.584 0.062 0.000 1.175 366 A CA 1.477 53.414 52.037 -0.167 0.000 0.628 366 A CB -0.586 18.056 19.000 -0.597 0.000 0.814 366 A HN 0.396 nan 8.150 nan 0.000 0.444 367 Y N 0.100 120.485 120.300 0.142 0.000 2.200 367 Y HA -0.139 4.412 4.550 0.002 0.000 0.290 367 Y C 2.464 178.439 175.900 0.126 0.000 1.137 367 Y CA 1.714 59.937 58.100 0.206 0.000 1.163 367 Y CB -0.285 38.240 38.460 0.108 0.000 0.988 367 Y HN 0.426 nan 8.280 nan 0.000 0.518 368 E N -0.301 120.021 120.200 0.203 0.000 2.150 368 E HA -0.183 4.168 4.350 0.002 0.000 0.193 368 E C 1.256 177.919 176.600 0.106 0.000 0.985 368 E CA 1.088 57.558 56.400 0.117 0.000 0.814 368 E CB -0.102 29.629 29.700 0.052 0.000 0.752 368 E HN 0.462 nan 8.360 nan 0.000 0.466 369 D N 0.217 120.678 120.400 0.100 0.000 2.350 369 D HA -0.071 4.570 4.640 0.002 0.000 0.216 369 D C 1.083 177.543 176.300 0.267 0.000 0.968 369 D CA 0.764 54.827 54.000 0.106 0.000 0.894 369 D CB 0.219 40.977 40.800 -0.069 0.000 0.909 369 D HN 0.199 nan 8.370 nan 0.000 0.520 370 L N -0.713 120.678 121.223 0.279 0.000 2.965 370 L HA 0.276 4.617 4.340 0.002 0.000 0.254 370 L C 1.154 178.123 176.870 0.166 0.000 1.220 370 L CA -0.208 54.776 54.840 0.241 0.000 1.023 370 L CB 0.384 42.559 42.059 0.194 0.000 1.355 370 L HN -0.034 nan 8.230 nan 0.000 0.545 371 G N 0.548 109.435 108.800 0.145 0.000 2.203 371 G HA2 -0.309 3.652 3.960 0.002 0.000 0.263 371 G HA3 -0.309 3.652 3.960 0.002 0.000 0.263 371 G C 0.234 175.190 174.900 0.094 0.000 1.012 371 G CA 0.376 45.538 45.100 0.103 0.000 0.749 371 G HN 0.318 nan 8.290 nan 0.000 0.512 372 M N -0.667 119.010 119.600 0.128 0.000 2.471 372 M HA 0.585 5.067 4.480 0.002 0.000 0.309 372 M C 0.226 176.566 176.300 0.067 0.000 1.186 372 M CA -0.655 54.708 55.300 0.105 0.000 1.008 372 M CB 1.500 34.209 32.600 0.181 0.000 1.551 372 M HN 0.176 nan 8.290 nan 0.000 0.477 373 E N 1.080 121.281 120.200 0.002 0.000 2.185 373 E HA 0.363 4.715 4.350 0.002 0.000 0.261 373 E C -1.708 174.839 176.600 -0.088 0.000 0.879 373 E CA -0.597 55.786 56.400 -0.028 0.000 0.756 373 E CB 1.311 30.996 29.700 -0.024 0.000 1.152 373 E HN 0.389 nan 8.360 nan 0.000 0.416 374 V N 6.689 126.541 119.914 -0.104 0.000 2.338 374 V HA 0.054 4.175 4.120 0.002 0.000 0.255 374 V C 1.267 177.296 176.094 -0.108 0.000 1.082 374 V CA 0.140 62.346 62.300 -0.158 0.000 0.951 374 V CB 0.386 32.109 31.823 -0.166 0.000 1.102 374 V HN 0.752 nan 8.190 nan 0.000 0.489 375 V N 1.931 121.787 119.914 -0.096 0.000 3.306 375 V HA 0.469 4.590 4.120 0.002 0.000 0.264 375 V C 0.895 176.958 176.094 -0.052 0.000 1.149 375 V CA 0.923 63.183 62.300 -0.068 0.000 1.143 375 V CB -0.385 31.402 31.823 -0.060 0.000 0.767 375 V HN 0.749 nan 8.190 nan 0.000 0.476 376 G N -1.489 107.286 108.800 -0.042 0.000 2.746 376 G HA2 0.563 4.524 3.960 0.002 0.000 0.297 376 G HA3 0.563 4.524 3.960 0.002 0.000 0.297 376 G C -1.221 173.628 174.900 -0.085 0.000 1.426 376 G CA 0.209 45.312 45.100 0.004 0.000 0.989 376 G HN 0.240 nan 8.290 nan 0.000 0.520 377 T N -0.922 113.398 114.554 -0.390 0.000 2.792 377 T HA 0.898 5.250 4.350 0.002 0.000 0.303 377 T C -0.320 173.890 174.700 -0.818 0.000 1.310 377 T CA 0.445 62.288 62.100 -0.427 0.000 1.007 377 T CB 1.771 70.445 68.868 -0.324 0.000 1.335 377 T HN 2.049 nan 8.240 nan 0.000 0.504 378 G N 0.706 109.210 108.800 -0.493 0.000 2.368 378 G HA2 0.534 4.495 3.960 0.002 0.000 0.293 378 G HA3 0.534 4.495 3.960 0.002 0.000 0.293 378 G C -2.613 172.146 174.900 -0.236 0.000 1.467 378 G CA -0.634 44.339 45.100 -0.213 0.000 0.804 378 G HN 0.599 nan 8.290 nan 0.000 0.535 379 Y N -0.073 120.223 120.300 -0.008 0.000 2.485 379 Y HA 0.497 5.049 4.550 0.002 0.000 0.345 379 Y C 1.391 177.188 175.900 -0.171 0.000 0.998 379 Y CA -0.879 57.035 58.100 -0.310 0.000 1.059 379 Y CB 2.334 40.593 38.460 -0.335 0.000 1.234 379 Y HN 0.662 nan 8.280 nan 0.000 0.461 380 E N 1.552 121.562 120.200 -0.316 0.000 2.028 380 E HA -0.120 4.232 4.350 0.002 0.000 0.190 380 E C 0.214 176.924 176.600 0.184 0.000 0.984 380 E CA 1.648 58.050 56.400 0.002 0.000 0.800 380 E CB -0.019 29.696 29.700 0.024 0.000 0.758 380 E HN 0.689 nan 8.360 nan 0.000 0.448 381 F N -1.589 118.461 119.950 0.166 0.000 2.815 381 F HA 0.596 5.124 4.527 0.002 0.000 0.323 381 F C 0.145 176.063 175.800 0.196 0.000 1.151 381 F CA -1.075 57.025 58.000 0.166 0.000 1.191 381 F CB -0.273 38.799 39.000 0.120 0.000 1.069 381 F HN -0.207 nan 8.300 nan 0.000 0.514 382 A N 0.781 123.640 122.820 0.064 0.000 2.429 382 A HA 0.485 4.806 4.320 0.002 0.000 0.242 382 A C -0.377 177.396 177.584 0.315 0.000 1.088 382 A CA 0.174 52.163 52.037 -0.080 0.000 0.784 382 A CB 0.031 18.472 19.000 -0.932 0.000 1.038 382 A HN 0.558 nan 8.150 nan 0.000 0.501 383 H N -0.475 118.601 119.070 0.011 0.000 2.693 383 H HA 0.359 4.916 4.556 0.002 0.000 0.348 383 H C 0.719 176.142 175.328 0.159 0.000 1.222 383 H CA -1.285 54.835 56.048 0.121 0.000 1.270 383 H CB 0.487 30.319 29.762 0.116 0.000 1.798 383 H HN 0.635 nan 8.280 nan 0.000 0.592 384 N N 0.609 119.487 118.700 0.297 0.000 2.348 384 N HA -0.145 4.596 4.740 0.002 0.000 0.185 384 N C 0.851 176.461 175.510 0.167 0.000 1.019 384 N CA 1.233 54.426 53.050 0.239 0.000 0.880 384 N CB -0.130 38.428 38.487 0.117 0.000 0.965 384 N HN 0.640 nan 8.380 nan 0.000 0.437 385 D N -0.045 120.430 120.400 0.124 0.000 2.178 385 D HA -0.128 4.513 4.640 0.002 0.000 0.202 385 D C 0.977 177.239 176.300 -0.062 0.000 0.974 385 D CA 0.966 54.989 54.000 0.039 0.000 0.841 385 D CB -0.445 40.398 40.800 0.070 0.000 0.953 385 D HN 0.187 nan 8.370 nan 0.000 0.478 386 D N -0.312 120.016 120.400 -0.120 0.000 2.144 386 D HA -0.141 4.500 4.640 0.002 0.000 0.200 386 D C 1.818 177.897 176.300 -0.369 0.000 0.978 386 D CA 0.846 54.638 54.000 -0.346 0.000 0.833 386 D CB -0.303 40.073 40.800 -0.706 0.000 0.961 386 D HN 0.289 nan 8.370 nan 0.000 0.470 387 Y N 1.903 122.107 120.300 -0.160 0.000 2.200 387 Y HA -0.149 4.402 4.550 0.002 0.000 0.290 387 Y C 2.167 178.048 175.900 -0.032 0.000 1.137 387 Y CA 0.955 59.021 58.100 -0.056 0.000 1.163 387 Y CB -0.240 38.198 38.460 -0.036 0.000 0.988 387 Y HN -0.104 nan 8.280 nan 0.000 0.518 388 D N -0.122 120.332 120.400 0.090 0.000 2.116 388 D HA -0.185 4.456 4.640 0.002 0.000 0.193 388 D C 2.189 178.483 176.300 -0.011 0.000 0.998 388 D CA 1.415 55.434 54.000 0.031 0.000 0.836 388 D CB -0.412 40.390 40.800 0.002 0.000 0.951 388 D HN 0.257 nan 8.370 nan 0.000 0.449 389 R N -0.041 120.422 120.500 -0.061 0.000 2.105 389 R HA -0.069 4.272 4.340 0.002 0.000 0.239 389 R C 2.322 178.603 176.300 -0.030 0.000 1.135 389 R CA 1.531 57.587 56.100 -0.074 0.000 0.967 389 R CB -0.297 29.922 30.300 -0.134 0.000 0.861 389 R HN 0.179 nan 8.270 nan 0.000 0.442 390 T N 0.738 115.289 114.554 -0.005 0.000 2.821 390 T HA -0.106 4.246 4.350 0.002 0.000 0.267 390 T C 1.730 176.442 174.700 0.020 0.000 1.046 390 T CA 0.968 63.082 62.100 0.024 0.000 1.139 390 T CB -0.041 68.873 68.868 0.077 0.000 0.871 390 T HN 0.069 nan 8.240 nan 0.000 0.454 391 M N 1.837 121.458 119.600 0.035 0.000 2.089 391 M HA -0.147 4.334 4.480 0.002 0.000 0.257 391 M C 2.011 178.310 176.300 -0.002 0.000 1.071 391 M CA 1.728 57.042 55.300 0.024 0.000 1.096 391 M CB -1.068 31.545 32.600 0.021 0.000 1.330 391 M HN 0.320 nan 8.290 nan 0.000 0.403 392 K N -0.562 119.831 120.400 -0.011 0.000 2.211 392 K HA -0.111 4.210 4.320 0.002 0.000 0.203 392 K C 1.812 178.395 176.600 -0.028 0.000 1.050 392 K CA 0.747 57.021 56.287 -0.022 0.000 0.945 392 K CB -0.048 32.434 32.500 -0.030 0.000 0.732 392 K HN 0.344 nan 8.250 nan 0.000 0.451 393 E N -0.137 120.045 120.200 -0.030 0.000 2.276 393 E HA 0.083 4.435 4.350 0.002 0.000 0.193 393 E C 0.792 177.368 176.600 -0.040 0.000 0.983 393 E CA 0.409 56.785 56.400 -0.040 0.000 0.861 393 E CB 0.271 29.944 29.700 -0.045 0.000 0.817 393 E HN 0.166 nan 8.360 nan 0.000 0.485 394 M N 0.259 119.837 119.600 -0.036 0.000 2.283 394 M HA 0.294 4.775 4.480 0.002 0.000 0.314 394 M C 1.055 177.335 176.300 -0.033 0.000 1.153 394 M CA -0.273 55.002 55.300 -0.042 0.000 1.084 394 M CB 0.526 33.099 32.600 -0.044 0.000 1.468 394 M HN -0.091 nan 8.290 nan 0.000 0.474 395 G N 0.705 109.483 108.800 -0.036 0.000 2.553 395 G HA2 0.291 4.253 3.960 0.002 0.000 0.278 395 G HA3 0.291 4.253 3.960 0.002 0.000 0.278 395 G C -1.083 173.802 174.900 -0.026 0.000 1.349 395 G CA -0.554 44.529 45.100 -0.029 0.000 1.037 395 G HN 0.663 nan 8.290 nan 0.000 0.508 396 D N -0.989 119.397 120.400 -0.023 0.000 2.255 396 D HA 0.430 5.071 4.640 0.002 0.000 0.249 396 D C 0.573 176.859 176.300 -0.024 0.000 1.078 396 D CA 0.259 54.247 54.000 -0.020 0.000 0.896 396 D CB 1.342 42.132 40.800 -0.016 0.000 1.194 396 D HN 0.249 nan 8.370 nan 0.000 0.429 397 S N -0.702 114.984 115.700 -0.024 0.000 3.358 397 S HA -0.196 4.276 4.470 0.002 0.000 0.309 397 S C 0.532 175.110 174.600 -0.037 0.000 1.247 397 S CA 1.120 59.304 58.200 -0.027 0.000 0.961 397 S CB -2.248 60.938 63.200 -0.024 0.000 1.074 397 S HN 0.770 nan 8.310 nan 0.000 0.625 398 T N -0.093 114.435 114.554 -0.043 0.000 2.849 398 T HA 0.644 4.995 4.350 0.002 0.000 0.284 398 T C 0.050 174.709 174.700 -0.069 0.000 1.004 398 T CA -0.926 61.141 62.100 -0.056 0.000 1.021 398 T CB 1.147 69.978 68.868 -0.061 0.000 1.013 398 T HN 0.207 nan 8.240 nan 0.000 0.527 399 L N 1.634 122.808 121.223 -0.083 0.000 2.305 399 L HA 0.539 4.881 4.340 0.002 0.000 0.281 399 L C -0.955 175.808 176.870 -0.180 0.000 1.085 399 L CA -0.525 54.254 54.840 -0.102 0.000 0.813 399 L CB -0.003 41.997 42.059 -0.099 0.000 1.157 399 L HN 0.629 nan 8.230 nan 0.000 0.436 400 L N 6.573 127.709 121.223 -0.145 0.000 2.346 400 L HA 0.527 4.869 4.340 0.002 0.000 0.276 400 L C -1.375 175.465 176.870 -0.050 0.000 1.006 400 L CA -0.880 53.847 54.840 -0.189 0.000 0.817 400 L CB 1.512 43.571 42.059 -0.001 0.000 1.272 400 L HN 0.616 nan 8.230 nan 0.000 0.421 401 Y N -0.535 119.885 120.300 0.201 0.000 2.386 401 Y HA 0.550 5.101 4.550 0.002 0.000 0.334 401 Y C -0.980 175.142 175.900 0.371 0.000 1.002 401 Y CA -1.458 56.791 58.100 0.248 0.000 1.068 401 Y CB 1.197 39.811 38.460 0.257 0.000 1.203 401 Y HN 0.460 nan 8.280 nan 0.000 0.443 402 D N 2.405 123.093 120.400 0.480 0.000 2.193 402 D HA 0.256 4.897 4.640 0.002 0.000 0.244 402 D C -0.368 176.196 176.300 0.441 0.000 1.064 402 D CA -0.058 54.256 54.000 0.524 0.000 0.845 402 D CB 1.011 42.056 40.800 0.409 0.000 1.148 402 D HN 0.721 nan 8.370 nan 0.000 0.464 403 D N 2.509 123.186 120.400 0.461 0.000 2.735 403 D HA -0.202 4.440 4.640 0.002 0.000 0.235 403 D C -0.840 175.574 176.300 0.189 0.000 1.175 403 D CA 0.294 54.493 54.000 0.332 0.000 0.683 403 D CB -0.758 40.139 40.800 0.162 0.000 1.008 403 D HN 0.156 nan 8.370 nan 0.000 0.416 404 V N 1.395 121.364 119.914 0.092 0.000 2.655 404 V HA 0.275 4.396 4.120 0.002 0.000 0.300 404 V C 1.318 177.343 176.094 -0.114 0.000 1.044 404 V CA 0.677 62.908 62.300 -0.114 0.000 1.095 404 V CB 0.997 32.522 31.823 -0.497 0.000 0.952 404 V HN 0.533 nan 8.190 nan 0.000 0.485 405 T N 3.596 118.143 114.554 -0.013 0.000 2.868 405 T HA 0.368 4.720 4.350 0.002 0.000 0.292 405 T C 1.420 176.145 174.700 0.042 0.000 1.028 405 T CA -0.054 62.075 62.100 0.048 0.000 1.059 405 T CB 1.340 70.299 68.868 0.152 0.000 0.991 405 T HN 0.898 nan 8.240 nan 0.000 0.531 406 G N 0.157 109.010 108.800 0.088 0.000 2.476 406 G HA2 -0.276 3.685 3.960 0.002 0.000 0.218 406 G HA3 -0.276 3.685 3.960 0.002 0.000 0.218 406 G C 1.139 176.094 174.900 0.093 0.000 1.164 406 G CA 1.104 46.270 45.100 0.110 0.000 0.768 406 G HN 0.888 nan 8.290 nan 0.000 0.560 407 Y N 1.507 121.801 120.300 -0.010 0.000 2.097 407 Y HA -0.168 4.383 4.550 0.002 0.000 0.282 407 Y C 2.777 178.577 175.900 -0.166 0.000 1.152 407 Y CA 2.443 60.505 58.100 -0.063 0.000 1.136 407 Y CB -0.353 38.089 38.460 -0.031 0.000 0.975 407 Y HN 0.380 nan 8.280 nan 0.000 0.498 408 E N -0.807 119.200 120.200 -0.323 0.000 2.077 408 E HA -0.214 4.137 4.350 0.002 0.000 0.193 408 E C 2.003 178.076 176.600 -0.877 0.000 0.989 408 E CA 1.335 57.272 56.400 -0.773 0.000 0.800 408 E CB -0.447 28.944 29.700 -0.514 0.000 0.746 408 E HN 0.471 nan 8.360 nan 0.000 0.452 409 F N 1.961 121.584 119.950 -0.545 0.000 2.146 409 F HA -0.143 4.385 4.527 0.002 0.000 0.298 409 F C 2.235 177.949 175.800 -0.143 0.000 1.096 409 F CA 1.506 59.298 58.000 -0.346 0.000 1.275 409 F CB -0.244 38.636 39.000 -0.200 0.000 1.008 409 F HN -0.033 nan 8.300 nan 0.000 0.480 410 E N -0.120 120.037 120.200 -0.072 0.000 2.077 410 E HA -0.211 4.140 4.350 0.002 0.000 0.193 410 E C 2.086 178.568 176.600 -0.196 0.000 0.989 410 E CA 1.374 57.739 56.400 -0.059 0.000 0.800 410 E CB -0.095 29.540 29.700 -0.109 0.000 0.746 410 E HN 0.381 nan 8.360 nan 0.000 0.452 411 E N -0.116 119.839 120.200 -0.410 0.000 2.110 411 E HA -0.167 4.185 4.350 0.002 0.000 0.193 411 E C 1.962 178.457 176.600 -0.174 0.000 0.988 411 E CA 0.776 56.934 56.400 -0.402 0.000 0.804 411 E CB -0.231 29.036 29.700 -0.723 0.000 0.745 411 E HN 0.327 nan 8.360 nan 0.000 0.458 412 F N 0.527 120.357 119.950 -0.201 0.000 2.146 412 F HA -0.124 4.404 4.527 0.002 0.000 0.298 412 F C 2.505 178.193 175.800 -0.187 0.000 1.096 412 F CA 0.367 58.271 58.000 -0.160 0.000 1.275 412 F CB -1.156 37.752 39.000 -0.153 0.000 1.008 412 F HN -0.159 nan 8.300 nan 0.000 0.480 413 V N 0.183 120.037 119.914 -0.099 0.000 2.427 413 V HA -0.257 3.864 4.120 0.002 0.000 0.248 413 V C 2.320 178.356 176.094 -0.095 0.000 1.051 413 V CA 1.519 63.698 62.300 -0.201 0.000 1.048 413 V CB -0.640 30.929 31.823 -0.423 0.000 0.666 413 V HN 0.274 nan 8.190 nan 0.000 0.456 414 K N -0.174 120.189 120.400 -0.062 0.000 2.103 414 K HA -0.162 4.160 4.320 0.002 0.000 0.207 414 K C 2.400 178.983 176.600 -0.029 0.000 1.048 414 K CA 1.157 57.419 56.287 -0.041 0.000 0.930 414 K CB -0.180 32.290 32.500 -0.049 0.000 0.716 414 K HN 0.360 nan 8.250 nan 0.000 0.444 415 R N 0.455 120.948 120.500 -0.012 0.000 2.075 415 R HA 0.080 4.421 4.340 0.002 0.000 0.220 415 R C 2.247 178.539 176.300 -0.012 0.000 1.118 415 R CA 0.674 56.773 56.100 -0.001 0.000 0.986 415 R CB -0.595 29.722 30.300 0.028 0.000 0.884 415 R HN 0.146 nan 8.270 nan 0.000 0.439 416 I N 1.837 122.398 120.570 -0.016 0.000 2.493 416 I HA -0.125 4.046 4.170 0.002 0.000 0.254 416 I C 0.312 176.397 176.117 -0.053 0.000 1.160 416 I CA 0.641 61.920 61.300 -0.035 0.000 1.445 416 I CB -0.903 37.075 38.000 -0.038 0.000 1.086 416 I HN 0.232 nan 8.210 nan 0.000 0.433 417 K N 0.634 120.995 120.400 -0.064 0.000 3.451 417 K HA -0.152 4.170 4.320 0.002 0.000 0.273 417 K C -2.086 174.458 176.600 -0.092 0.000 0.944 417 K CA -0.155 56.088 56.287 -0.073 0.000 0.734 417 K CB -1.470 31.000 32.500 -0.050 0.000 1.437 417 K HN 0.362 nan 8.250 nan 0.000 0.454 418 P HA -0.026 nan 4.420 nan 0.000 0.270 418 P C 0.029 177.241 177.300 -0.147 0.000 1.223 418 P CA 0.025 63.045 63.100 -0.134 0.000 0.785 418 P CB 0.631 32.233 31.700 -0.162 0.000 0.923 419 D N -0.083 120.234 120.400 -0.140 0.000 2.289 419 D HA 0.055 4.696 4.640 0.002 0.000 0.207 419 D C 0.484 176.663 176.300 -0.201 0.000 0.966 419 D CA 1.122 55.032 54.000 -0.151 0.000 0.868 419 D CB 0.285 41.019 40.800 -0.109 0.000 0.943 419 D HN 0.172 nan 8.370 nan 0.000 0.514 420 L N 0.336 121.440 121.223 -0.198 0.000 2.472 420 L HA 0.421 4.762 4.340 0.002 0.000 0.260 420 L C -1.839 174.900 176.870 -0.219 0.000 0.963 420 L CA -0.556 54.158 54.840 -0.210 0.000 0.829 420 L CB 2.509 44.464 42.059 -0.172 0.000 1.348 420 L HN -0.264 nan 8.230 nan 0.000 0.408 421 I N 3.036 123.474 120.570 -0.220 0.000 2.545 421 I HA 0.698 4.869 4.170 0.002 0.000 0.292 421 I C 0.041 175.901 176.117 -0.429 0.000 1.040 421 I CA -0.661 60.505 61.300 -0.223 0.000 1.068 421 I CB 2.227 40.115 38.000 -0.187 0.000 1.251 421 I HN 0.765 nan 8.210 nan 0.000 0.424 422 G N 3.046 111.653 108.800 -0.321 0.000 2.574 422 G HA2 0.613 4.574 3.960 0.002 0.000 0.306 422 G HA3 0.613 4.574 3.960 0.002 0.000 0.306 422 G C -0.891 173.920 174.900 -0.148 0.000 1.334 422 G CA -0.167 44.696 45.100 -0.394 0.000 0.954 422 G HN 0.578 nan 8.290 nan 0.000 0.500 423 S N 0.845 116.467 115.700 -0.129 0.000 3.211 423 S HA 0.834 5.306 4.470 0.002 0.000 0.320 423 S C 0.473 175.441 174.600 0.613 0.000 1.225 423 S CA 0.229 58.664 58.200 0.392 0.000 1.044 423 S CB 0.566 64.189 63.200 0.705 0.000 1.410 423 S HN 1.142 nan 8.310 nan 0.000 0.640 424 G N 0.632 109.802 108.800 0.617 0.000 2.557 424 G HA2 0.504 4.465 3.960 0.002 0.000 0.302 424 G HA3 0.504 4.465 3.960 0.002 0.000 0.302 424 G C 0.602 175.654 174.900 0.254 0.000 1.311 424 G CA -0.245 45.066 45.100 0.352 0.000 1.030 424 G HN 0.621 nan 8.290 nan 0.000 0.509 425 I N -0.700 119.920 120.570 0.082 0.000 2.394 425 I HA -0.027 4.144 4.170 0.002 0.000 0.251 425 I C 2.391 178.515 176.117 0.011 0.000 1.136 425 I CA 1.358 62.677 61.300 0.032 0.000 1.425 425 I CB -0.016 38.046 38.000 0.104 0.000 1.079 425 I HN 0.468 nan 8.210 nan 0.000 0.425 426 K N 0.010 120.446 120.400 0.060 0.000 2.504 426 K HA -0.078 4.244 4.320 0.002 0.000 0.195 426 K C 1.296 177.922 176.600 0.044 0.000 1.036 426 K CA 0.840 57.170 56.287 0.072 0.000 0.984 426 K CB 0.072 32.623 32.500 0.085 0.000 0.788 426 K HN 0.329 nan 8.250 nan 0.000 0.488 427 E N 0.434 120.648 120.200 0.023 0.000 2.372 427 E HA 0.008 4.360 4.350 0.002 0.000 0.201 427 E C 1.445 177.774 176.600 -0.453 0.000 0.938 427 E CA 0.254 56.679 56.400 0.042 0.000 0.944 427 E CB 0.225 30.241 29.700 0.525 0.000 0.937 427 E HN 0.100 nan 8.360 nan 0.000 0.495 428 K N 0.387 120.226 120.400 -0.935 0.000 2.015 428 K HA -0.185 4.137 4.320 0.002 0.000 0.216 428 K C 1.128 177.167 176.600 -0.935 0.000 1.052 428 K CA 1.697 56.998 56.287 -1.645 0.000 0.937 428 K CB -0.217 31.494 32.500 -1.315 0.000 0.719 428 K HN 0.071 nan 8.250 nan 0.000 0.446 429 F N 0.741 120.525 119.950 -0.276 0.000 2.558 429 F HA 0.067 4.595 4.527 0.002 0.000 0.298 429 F C 1.877 177.561 175.800 -0.194 0.000 1.119 429 F CA 0.379 58.291 58.000 -0.147 0.000 1.451 429 F CB -0.185 38.765 39.000 -0.083 0.000 1.091 429 F HN 0.025 nan 8.300 nan 0.000 0.563 430 I N -1.022 119.403 120.570 -0.241 0.000 2.163 430 I HA -0.293 3.878 4.170 0.002 0.000 0.240 430 I C 2.065 177.882 176.117 -0.500 0.000 1.081 430 I CA 1.490 62.512 61.300 -0.463 0.000 1.353 430 I CB -0.499 36.995 38.000 -0.844 0.000 1.054 430 I HN -0.020 nan 8.210 nan 0.000 0.407 431 F N 0.880 120.768 119.950 -0.104 0.000 2.259 431 F HA -0.114 4.415 4.527 0.002 0.000 0.298 431 F C 2.671 178.478 175.800 0.011 0.000 1.088 431 F CA 0.893 58.853 58.000 -0.067 0.000 1.358 431 F CB -0.876 38.098 39.000 -0.043 0.000 1.040 431 F HN 0.072 nan 8.300 nan 0.000 0.505 432 Q N 0.454 120.373 119.800 0.197 0.000 2.096 432 Q HA -0.226 4.115 4.340 0.002 0.000 0.204 432 Q C 2.084 178.292 176.000 0.347 0.000 0.982 432 Q CA 1.567 57.600 55.803 0.383 0.000 0.850 432 Q CB -0.276 28.716 28.738 0.423 0.000 0.901 432 Q HN 0.415 nan 8.270 nan 0.000 0.422 433 K N 0.161 120.671 120.400 0.183 0.000 2.147 433 K HA -0.064 4.257 4.320 0.002 0.000 0.205 433 K C 1.791 178.456 176.600 0.109 0.000 1.049 433 K CA 1.034 57.396 56.287 0.125 0.000 0.936 433 K CB 0.010 32.539 32.500 0.050 0.000 0.722 433 K HN 0.209 nan 8.250 nan 0.000 0.446 434 M N -0.468 119.187 119.600 0.092 0.000 2.659 434 M HA 0.034 4.515 4.480 0.002 0.000 0.243 434 M C 0.833 177.195 176.300 0.104 0.000 1.111 434 M CA 0.802 56.150 55.300 0.079 0.000 1.070 434 M CB 0.400 33.050 32.600 0.083 0.000 1.525 434 M HN 0.446 nan 8.290 nan 0.000 0.517 435 G N 1.487 110.397 108.800 0.183 0.000 2.143 435 G HA2 -0.244 3.718 3.960 0.002 0.000 0.249 435 G HA3 -0.244 3.718 3.960 0.002 0.000 0.249 435 G C -0.080 174.772 174.900 -0.080 0.000 0.981 435 G CA -0.315 44.920 45.100 0.225 0.000 0.665 435 G HN 0.419 nan 8.290 nan 0.000 0.528 436 I N 1.819 122.280 120.570 -0.181 0.000 2.331 436 I HA 0.384 4.556 4.170 0.002 0.000 0.292 436 I C -1.864 173.795 176.117 -0.764 0.000 0.998 436 I CA -2.528 58.546 61.300 -0.376 0.000 1.267 436 I CB 1.355 39.260 38.000 -0.158 0.000 1.386 436 I HN -0.189 nan 8.210 nan 0.000 0.476 437 P HA -0.083 nan 4.420 nan 0.000 0.259 437 P C -1.062 176.114 177.300 -0.206 0.000 1.163 437 P CA 0.506 63.077 63.100 -0.882 0.000 0.760 437 P CB 0.112 31.414 31.700 -0.663 0.000 0.762 438 F N 4.347 124.250 119.950 -0.079 0.000 2.540 438 F HA 0.549 5.077 4.527 0.002 0.000 0.317 438 F C -0.350 175.501 175.800 0.086 0.000 1.104 438 F CA -0.812 57.203 58.000 0.024 0.000 0.913 438 F CB 1.544 40.597 39.000 0.089 0.000 1.170 438 F HN 0.043 nan 8.300 nan 0.000 0.450 439 R N 4.133 124.348 120.500 -0.475 0.000 2.534 439 R HA 0.266 4.607 4.340 0.002 0.000 0.301 439 R C -0.963 175.112 176.300 -0.375 0.000 0.961 439 R CA -0.835 55.150 56.100 -0.191 0.000 0.871 439 R CB 1.827 32.103 30.300 -0.041 0.000 1.170 439 R HN 0.772 nan 8.270 nan 0.000 0.446 440 E N 3.120 123.344 120.200 0.040 0.000 2.299 440 E HA 0.070 4.421 4.350 0.002 0.000 0.272 440 E C 0.507 177.223 176.600 0.193 0.000 1.043 440 E CA 0.126 56.627 56.400 0.168 0.000 0.895 440 E CB 0.738 30.520 29.700 0.138 0.000 1.011 440 E HN 0.169 nan 8.360 nan 0.000 0.432 441 M N 2.699 122.419 119.600 0.201 0.000 2.475 441 M HA 0.091 4.572 4.480 0.002 0.000 0.283 441 M C 0.645 176.912 176.300 -0.056 0.000 1.165 441 M CA 0.342 55.816 55.300 0.291 0.000 0.976 441 M CB -0.341 32.402 32.600 0.240 0.000 1.428 441 M HN 0.571 nan 8.290 nan 0.000 0.495 442 H N -0.903 118.052 119.070 -0.192 0.000 2.348 442 H HA 0.188 4.746 4.556 0.002 0.000 0.306 442 H C 1.552 176.531 175.328 -0.583 0.000 1.034 442 H CA 1.344 57.173 56.048 -0.366 0.000 1.395 442 H CB 0.433 30.102 29.762 -0.154 0.000 1.495 442 H HN 0.335 nan 8.280 nan 0.000 0.616 443 S N -0.504 115.067 115.700 -0.215 0.000 2.605 443 S HA -0.050 4.421 4.470 0.002 0.000 0.217 443 S C 0.207 174.657 174.600 -0.250 0.000 0.958 443 S CA -0.400 57.633 58.200 -0.277 0.000 0.919 443 S CB -0.814 62.307 63.200 -0.131 0.000 0.780 443 S HN 0.628 nan 8.310 nan 0.000 0.507 444 W N 1.295 122.451 121.300 -0.239 0.000 4.233 444 W HA -0.220 4.441 4.660 0.002 0.000 0.328 444 W C -0.087 176.249 176.519 -0.305 0.000 1.212 444 W CA 0.067 57.191 57.345 -0.368 0.000 0.752 444 W CB -2.327 26.726 29.460 -0.678 0.000 2.277 444 W HN 0.325 nan 8.180 nan 0.000 1.465 445 D N -0.756 119.506 120.400 -0.230 0.000 2.689 445 D HA -0.252 4.389 4.640 0.002 0.000 0.237 445 D C 0.183 176.209 176.300 -0.456 0.000 1.148 445 D CA 2.284 55.972 54.000 -0.520 0.000 0.656 445 D CB -1.292 39.464 40.800 -0.073 0.000 1.050 445 D HN 0.581 nan 8.370 nan 0.000 0.426 446 Y N -3.258 117.137 120.300 0.159 0.000 4.409 446 Y HA -0.296 4.255 4.550 0.002 0.000 0.228 446 Y C 1.201 177.192 175.900 0.151 0.000 1.108 446 Y CA 1.025 59.213 58.100 0.147 0.000 1.955 446 Y CB -2.193 36.356 38.460 0.149 0.000 1.615 446 Y HN 0.219 nan 8.280 nan 0.000 0.665 447 S N -1.090 114.700 115.700 0.149 0.000 3.362 447 S HA 0.852 5.323 4.470 0.002 0.000 0.235 447 S C 0.813 175.454 174.600 0.069 0.000 1.026 447 S CA 0.562 58.846 58.200 0.139 0.000 1.257 447 S CB 1.277 64.564 63.200 0.144 0.000 1.187 447 S HN 1.774 nan 8.310 nan 0.000 0.660 448 G N 1.097 109.897 108.800 -0.001 0.000 2.795 448 G HA2 -0.080 3.881 3.960 0.002 0.000 0.664 448 G HA3 -0.080 3.881 3.960 0.002 0.000 0.664 448 G C -3.093 171.859 174.900 0.085 0.000 1.381 448 G CA -0.422 44.617 45.100 -0.102 0.000 0.853 448 G HN 0.641 nan 8.290 nan 0.000 0.545 449 P HA 0.265 nan 4.420 nan 0.000 0.272 449 P C -0.282 177.068 177.300 0.082 0.000 1.223 449 P CA 0.080 63.203 63.100 0.039 0.000 0.784 449 P CB 0.490 32.236 31.700 0.076 0.000 0.923 450 Y N -1.195 118.901 120.300 -0.339 0.000 2.444 450 Y HA 0.162 4.713 4.550 0.002 0.000 0.249 450 Y C 1.412 177.204 175.900 -0.181 0.000 1.134 450 Y CA -0.464 57.418 58.100 -0.364 0.000 1.261 450 Y CB -0.782 37.176 38.460 -0.837 0.000 1.143 450 Y HN 0.434 nan 8.280 nan 0.000 0.523 451 H N -0.529 118.462 119.070 -0.133 0.000 2.615 451 H HA 0.421 4.978 4.556 0.002 0.000 0.363 451 H C 1.049 176.267 175.328 -0.183 0.000 1.148 451 H CA 0.175 56.057 56.048 -0.276 0.000 1.401 451 H CB 0.864 30.486 29.762 -0.233 0.000 1.461 451 H HN 0.345 nan 8.280 nan 0.000 0.588 452 G N 0.830 109.510 108.800 -0.201 0.000 2.698 452 G HA2 -0.330 3.632 3.960 0.002 0.000 0.233 452 G HA3 -0.330 3.632 3.960 0.002 0.000 0.233 452 G C 0.086 174.753 174.900 -0.389 0.000 1.352 452 G CA 0.172 44.970 45.100 -0.503 0.000 0.879 452 G HN 0.494 nan 8.290 nan 0.000 0.567 453 F N 0.170 119.965 119.950 -0.258 0.000 2.206 453 F HA 0.110 4.638 4.527 0.002 0.000 0.298 453 F C 2.571 178.436 175.800 0.109 0.000 1.090 453 F CA 1.705 59.655 58.000 -0.082 0.000 1.323 453 F CB -0.314 38.579 39.000 -0.177 0.000 1.028 453 F HN 0.367 nan 8.300 nan 0.000 0.492 454 D N -0.253 120.304 120.400 0.262 0.000 2.219 454 D HA -0.066 4.576 4.640 0.002 0.000 0.205 454 D C 2.509 178.926 176.300 0.195 0.000 0.970 454 D CA 1.249 55.401 54.000 0.252 0.000 0.851 454 D CB -0.744 40.193 40.800 0.228 0.000 0.943 454 D HN 0.322 nan 8.370 nan 0.000 0.488 455 G N -0.061 108.828 108.800 0.148 0.000 2.421 455 G HA2 -0.243 3.718 3.960 0.002 0.000 0.217 455 G HA3 -0.243 3.718 3.960 0.002 0.000 0.217 455 G C 1.400 176.369 174.900 0.116 0.000 1.143 455 G CA -0.031 45.145 45.100 0.127 0.000 0.784 455 G HN 0.212 nan 8.290 nan 0.000 0.541 456 F N 2.561 122.508 119.950 -0.005 0.000 2.171 456 F HA 0.057 4.585 4.527 0.003 0.000 0.300 456 F C 2.683 178.523 175.800 0.066 0.000 1.090 456 F CA 0.956 58.960 58.000 0.007 0.000 1.293 456 F CB -0.220 38.804 39.000 0.039 0.000 1.013 456 F HN 0.220 nan 8.300 nan 0.000 0.486 457 A N 0.613 123.485 122.820 0.087 0.000 1.902 457 A HA -0.144 4.177 4.320 0.002 0.000 0.217 457 A C 2.298 179.802 177.584 -0.134 0.000 1.181 457 A CA 2.012 54.052 52.037 0.004 0.000 0.623 457 A CB -1.112 17.980 19.000 0.153 0.000 0.818 457 A HN 0.470 nan 8.150 nan 0.000 0.443 458 I N -1.987 118.545 120.570 -0.065 0.000 2.233 458 I HA -0.170 4.001 4.170 0.002 0.000 0.243 458 I C 2.345 178.291 176.117 -0.286 0.000 1.093 458 I CA 1.408 62.666 61.300 -0.069 0.000 1.380 458 I CB -0.458 37.608 38.000 0.110 0.000 1.067 458 I HN 0.420 nan 8.210 nan 0.000 0.413 459 F N 2.290 121.792 119.950 -0.746 0.000 2.065 459 F HA -0.328 4.200 4.527 0.002 0.000 0.298 459 F C 2.499 177.775 175.800 -0.873 0.000 1.112 459 F CA 1.693 58.909 58.000 -1.308 0.000 1.212 459 F CB -0.499 37.733 39.000 -1.279 0.000 0.975 459 F HN 0.020 nan 8.300 nan 0.000 0.476 460 A N 1.060 123.334 122.820 -0.911 0.000 1.883 460 A HA -0.232 4.089 4.320 0.002 0.000 0.217 460 A C 2.483 179.373 177.584 -1.156 0.000 1.186 460 A CA 1.805 53.234 52.037 -1.014 0.000 0.624 460 A CB -0.987 17.464 19.000 -0.914 0.000 0.822 460 A HN 0.483 nan 8.150 nan 0.000 0.444 461 R N -0.186 119.673 120.500 -1.068 0.000 2.091 461 R HA -0.178 4.164 4.340 0.002 0.000 0.238 461 R C 1.247 177.253 176.300 -0.490 0.000 1.136 461 R CA 2.104 57.676 56.100 -0.880 0.000 0.959 461 R CB -0.592 29.474 30.300 -0.389 0.000 0.856 461 R HN 0.481 nan 8.270 nan 0.000 0.437 462 D N 0.179 120.333 120.400 -0.410 0.000 2.117 462 D HA -0.128 4.513 4.640 0.002 0.000 0.198 462 D C 2.012 178.149 176.300 -0.272 0.000 0.982 462 D CA 0.988 54.848 54.000 -0.234 0.000 0.828 462 D CB -0.110 40.633 40.800 -0.095 0.000 0.967 462 D HN 0.159 nan 8.370 nan 0.000 0.464 463 M N 0.614 119.916 119.600 -0.497 0.000 2.159 463 M HA -0.130 4.352 4.480 0.002 0.000 0.263 463 M C 1.796 177.957 176.300 -0.231 0.000 1.063 463 M CA 1.190 56.255 55.300 -0.393 0.000 1.110 463 M CB -0.959 31.279 32.600 -0.604 0.000 1.374 463 M HN -0.008 nan 8.290 nan 0.000 0.411 464 D N 0.587 120.821 120.400 -0.276 0.000 2.097 464 D HA -0.164 4.477 4.640 0.002 0.000 0.197 464 D C 2.106 178.395 176.300 -0.018 0.000 0.984 464 D CA 1.703 55.636 54.000 -0.111 0.000 0.826 464 D CB -0.126 40.629 40.800 -0.075 0.000 0.973 464 D HN 0.458 nan 8.370 nan 0.000 0.460 465 M N -1.280 118.301 119.600 -0.033 0.000 2.213 465 M HA -0.058 4.423 4.480 0.002 0.000 0.263 465 M C 1.793 178.157 176.300 0.107 0.000 1.062 465 M CA 1.679 57.005 55.300 0.044 0.000 1.105 465 M CB -0.492 32.129 32.600 0.035 0.000 1.385 465 M HN -0.188 nan 8.290 nan 0.000 0.417 466 T N 1.442 116.061 114.554 0.109 0.000 2.814 466 T HA 0.053 4.404 4.350 0.002 0.000 0.254 466 T C 1.761 176.625 174.700 0.273 0.000 1.037 466 T CA 0.957 63.200 62.100 0.237 0.000 1.143 466 T CB -0.218 68.756 68.868 0.177 0.000 0.866 466 T HN 0.291 nan 8.240 nan 0.000 0.431 467 L N 2.318 123.592 121.223 0.085 0.000 2.042 467 L HA 0.059 4.400 4.340 0.002 0.000 0.210 467 L C 0.929 177.868 176.870 0.116 0.000 1.076 467 L CA 1.846 56.694 54.840 0.013 0.000 0.749 467 L CB -1.124 40.913 42.059 -0.036 0.000 0.893 467 L HN 0.137 nan 8.230 nan 0.000 0.432 468 N N 0.661 119.443 118.700 0.136 0.000 2.327 468 N HA 0.014 4.756 4.740 0.002 0.000 0.231 468 N C -0.055 175.568 175.510 0.189 0.000 1.130 468 N CA -0.026 53.114 53.050 0.150 0.000 0.845 468 N CB -0.451 38.095 38.487 0.099 0.000 1.073 468 N HN 0.406 nan 8.380 nan 0.000 0.496 469 N N 2.084 120.961 118.700 0.294 0.000 2.520 469 N HA 0.068 4.809 4.740 0.002 0.000 0.273 469 N C -1.394 174.170 175.510 0.092 0.000 1.155 469 N CA -1.251 51.900 53.050 0.168 0.000 0.967 469 N CB 1.768 40.322 38.487 0.112 0.000 1.092 469 N HN 0.005 nan 8.380 nan 0.000 0.457 470 P HA -0.163 nan 4.420 nan 0.000 0.217 470 P C 1.583 178.835 177.300 -0.081 0.000 1.148 470 P CA 1.160 64.257 63.100 -0.006 0.000 0.834 470 P CB -0.258 31.438 31.700 -0.007 0.000 0.783 471 C N -3.539 115.618 119.300 -0.238 0.000 2.419 471 C HA 0.008 4.469 4.460 0.002 0.000 0.281 471 C C 2.490 177.269 174.990 -0.353 0.000 1.336 471 C CA -0.506 58.301 59.018 -0.352 0.000 1.770 471 C CB -2.534 24.882 27.740 -0.540 0.000 1.929 471 C HN 0.213 nan 8.230 nan 0.000 0.509 472 W N 1.180 122.500 121.300 0.033 0.000 2.525 472 W HA 0.087 4.749 4.660 0.003 0.000 0.259 472 W C 2.183 178.711 176.519 0.016 0.000 1.253 472 W CA 0.319 57.682 57.345 0.029 0.000 1.262 472 W CB -0.174 29.306 29.460 0.033 0.000 1.122 472 W HN 0.110 nan 8.180 nan 0.000 0.607 473 K N 0.365 120.859 120.400 0.155 0.000 2.444 473 K HA 0.011 4.332 4.320 0.002 0.000 0.193 473 K C 1.104 177.729 176.600 0.042 0.000 1.024 473 K CA 0.665 57.010 56.287 0.097 0.000 1.077 473 K CB -0.017 32.528 32.500 0.074 0.000 0.833 473 K HN -0.169 nan 8.250 nan 0.000 0.517 474 K N 0.272 120.682 120.400 0.016 0.000 2.455 474 K HA 0.230 4.552 4.320 0.002 0.000 0.206 474 K C 0.719 177.302 176.600 -0.028 0.000 1.027 474 K CA -0.035 56.240 56.287 -0.021 0.000 1.113 474 K CB 0.523 32.997 32.500 -0.044 0.000 0.850 474 K HN 0.061 nan 8.250 nan 0.000 0.503 475 L N 0.021 121.249 121.223 0.008 0.000 2.240 475 L HA 0.025 4.366 4.340 0.002 0.000 0.211 475 L C 1.040 177.880 176.870 -0.050 0.000 1.106 475 L CA 1.001 55.844 54.840 0.005 0.000 0.793 475 L CB -0.194 41.911 42.059 0.076 0.000 0.927 475 L HN 0.302 nan 8.230 nan 0.000 0.446 476 Q N 0.629 120.386 119.800 -0.072 0.000 2.278 476 Q HA 0.470 4.811 4.340 0.002 0.000 0.257 476 Q C -0.234 175.621 176.000 -0.242 0.000 0.928 476 Q CA -0.385 55.337 55.803 -0.134 0.000 0.932 476 Q CB 1.693 30.375 28.738 -0.094 0.000 1.221 476 Q HN 0.258 nan 8.270 nan 0.000 0.434 477 A N 5.695 128.263 122.820 -0.420 0.000 2.511 477 A HA 0.183 4.505 4.320 0.002 0.000 0.242 477 A C -1.806 175.349 177.584 -0.716 0.000 1.069 477 A CA -1.069 50.481 52.037 -0.812 0.000 0.763 477 A CB -0.023 18.112 19.000 -1.442 0.000 1.001 477 A HN 0.805 nan 8.150 nan 0.000 0.498 478 P HA -0.152 nan 4.420 nan 0.000 0.218 478 P C 0.830 178.145 177.300 0.026 0.000 1.146 478 P CA 1.852 64.892 63.100 -0.100 0.000 0.813 478 P CB -0.022 31.735 31.700 0.095 0.000 0.778 479 W N -0.875 120.431 121.300 0.010 0.000 3.256 479 W HA 0.302 4.963 4.660 0.002 0.000 0.269 479 W C 1.160 177.685 176.519 0.010 0.000 1.310 479 W CA -0.183 57.167 57.345 0.009 0.000 1.673 479 W CB -0.948 28.517 29.460 0.007 0.000 1.115 479 W HN -0.030 nan 8.180 nan 0.000 0.686 480 E N 0.800 120.868 120.200 -0.219 0.000 2.463 480 E HA 0.334 4.685 4.350 0.002 0.000 0.193 480 E C 0.571 177.132 176.600 -0.065 0.000 1.041 480 E CA -0.042 56.264 56.400 -0.156 0.000 0.879 480 E CB 0.058 29.570 29.700 -0.312 0.000 0.997 480 E HN 0.248 nan 8.360 nan 0.000 0.478 481 A N 0.000 122.801 122.820 -0.032 0.000 2.254 481 A HA 0.000 4.321 4.320 0.002 0.000 0.244 481 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 481 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 481 A HN 0.000 nan 8.150 nan 0.000 0.486