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 3g2p_1_A DATA FIRST_RESID 8 DATA SEQUENCE GPVRTPHADV LLASVGERGV LCDFYDEGAA XXXXXXXXXA DGTSEAREFA DATA SEQUENCE TRTXXVSGPV LELAAGMGRL TFPFLDLGWE VTALELSTSV LAAFRKRLAE DATA SEQUENCE APADVRDRCT LVQGDMSAFA LDKRFGTVVI SSGSINELDE ADRRGLYASV DATA SEQUENCE REHLEPGGKF LLSLAMSEAA ESEPLERKQE LPGRXXXXYV LHVRHLPAEE DATA SEQUENCE IQEITIHPAD ETTDPFVVCT HRRRLLAPDQ VVRELVRSGF DVIAQTPFAS DATA SEQUENCE GGAGRKDMVL VEAVMP 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 8 G C 0.000 174.927 174.900 0.045 0.000 0.946 8 G CA 0.000 45.120 45.100 0.033 0.000 0.502 9 P HA 0.615 nan 4.420 nan 0.000 0.279 9 P C -0.707 176.634 177.300 0.068 0.000 1.282 9 P CA -0.594 62.549 63.100 0.072 0.000 0.788 9 P CB 0.800 32.542 31.700 0.072 0.000 1.139 10 V N 1.083 121.048 119.914 0.085 0.000 2.455 10 V HA 0.176 4.296 4.120 0.001 0.000 0.273 10 V C 0.910 177.037 176.094 0.055 0.000 1.045 10 V CA -0.382 61.959 62.300 0.067 0.000 0.976 10 V CB 0.142 32.009 31.823 0.074 0.000 0.993 10 V HN 0.418 nan 8.190 nan 0.000 0.475 11 R N 4.071 124.594 120.500 0.040 0.000 2.308 11 R HA 0.232 4.572 4.340 0.001 0.000 0.325 11 R C 0.581 176.899 176.300 0.030 0.000 1.161 11 R CA -0.216 55.903 56.100 0.031 0.000 1.022 11 R CB 0.254 30.568 30.300 0.023 0.000 1.091 11 R HN 0.934 nan 8.270 nan 0.000 0.497 12 T N 1.108 115.684 114.554 0.036 0.000 2.788 12 T HA 0.275 4.625 4.350 0.001 0.000 0.287 12 T C -1.756 172.968 174.700 0.039 0.000 1.007 12 T CA -1.588 60.536 62.100 0.041 0.000 1.005 12 T CB 1.283 70.183 68.868 0.054 0.000 1.012 12 T HN 0.275 nan 8.240 nan 0.000 0.530 13 P HA -0.051 nan 4.420 nan 0.000 0.218 13 P C 1.416 178.743 177.300 0.046 0.000 1.152 13 P CA 0.904 64.028 63.100 0.040 0.000 0.826 13 P CB -0.177 31.548 31.700 0.043 0.000 0.790 14 H N 0.192 119.254 119.070 -0.013 0.000 2.389 14 H HA 0.049 4.606 4.556 0.001 0.000 0.299 14 H C 1.701 177.001 175.328 -0.046 0.000 1.081 14 H CA 1.462 57.494 56.048 -0.027 0.000 1.345 14 H CB -0.072 29.676 29.762 -0.023 0.000 1.393 14 H HN -0.032 nan 8.280 nan 0.000 0.520 15 A N 0.907 123.721 122.820 -0.010 0.000 1.930 15 A HA -0.159 4.161 4.320 0.001 0.000 0.217 15 A C 2.197 179.735 177.584 -0.076 0.000 1.175 15 A CA 1.458 53.463 52.037 -0.053 0.000 0.627 15 A CB -0.378 18.629 19.000 0.010 0.000 0.815 15 A HN 0.432 nan 8.150 nan 0.000 0.443 16 D N -0.204 120.166 120.400 -0.050 0.000 2.103 16 D HA -0.149 4.491 4.640 0.001 0.000 0.190 16 D C 2.099 178.357 176.300 -0.071 0.000 0.997 16 D CA 1.759 55.733 54.000 -0.043 0.000 0.833 16 D CB -0.365 40.421 40.800 -0.023 0.000 0.961 16 D HN 0.172 nan 8.370 nan 0.000 0.447 17 V N 1.197 121.043 119.914 -0.113 0.000 2.255 17 V HA -0.244 3.876 4.120 0.001 0.000 0.247 17 V C 2.766 178.768 176.094 -0.153 0.000 1.051 17 V CA 1.252 63.471 62.300 -0.134 0.000 1.018 17 V CB -0.456 31.272 31.823 -0.158 0.000 0.641 17 V HN 0.209 nan 8.190 nan 0.000 0.445 18 L N -0.984 120.098 121.223 -0.236 0.000 1.971 18 L HA -0.265 4.075 4.340 0.001 0.000 0.215 18 L C 2.374 179.217 176.870 -0.046 0.000 1.072 18 L CA 1.917 56.659 54.840 -0.163 0.000 0.758 18 L CB -0.445 41.505 42.059 -0.183 0.000 0.889 18 L HN 0.311 nan 8.230 nan 0.000 0.433 19 L N -1.039 120.171 121.223 -0.021 0.000 2.131 19 L HA -0.197 4.143 4.340 0.001 0.000 0.210 19 L C 2.730 179.599 176.870 -0.002 0.000 1.092 19 L CA 1.032 55.883 54.840 0.020 0.000 0.759 19 L CB -0.693 41.377 42.059 0.019 0.000 0.903 19 L HN 0.264 nan 8.230 nan 0.000 0.435 20 A N -0.574 122.231 122.820 -0.025 0.000 1.845 20 A HA -0.249 4.072 4.320 0.001 0.000 0.215 20 A C 2.528 180.093 177.584 -0.032 0.000 1.195 20 A CA 1.960 53.982 52.037 -0.026 0.000 0.616 20 A CB -0.949 18.031 19.000 -0.032 0.000 0.832 20 A HN 0.376 nan 8.150 nan 0.000 0.443 21 S N -1.271 114.399 115.700 -0.049 0.000 2.440 21 S HA -0.086 4.384 4.470 0.001 0.000 0.238 21 S C 1.554 176.114 174.600 -0.066 0.000 1.010 21 S CA 1.706 59.870 58.200 -0.060 0.000 0.972 21 S CB -0.220 62.932 63.200 -0.080 0.000 0.774 21 S HN 0.448 nan 8.310 nan 0.000 0.501 22 V N -0.190 119.691 119.914 -0.054 0.000 3.635 22 V HA 0.402 4.523 4.120 0.001 0.000 0.266 22 V C 1.473 177.552 176.094 -0.025 0.000 1.316 22 V CA 0.891 63.151 62.300 -0.066 0.000 1.060 22 V CB -0.177 31.594 31.823 -0.086 0.000 0.820 22 V HN 0.687 nan 8.190 nan 0.000 0.447 23 G N 0.269 109.065 108.800 -0.008 0.000 2.180 23 G HA2 -0.236 3.725 3.960 0.001 0.000 0.263 23 G HA3 -0.236 3.725 3.960 0.001 0.000 0.263 23 G C 0.377 175.283 174.900 0.011 0.000 0.989 23 G CA 1.134 46.233 45.100 -0.001 0.000 0.692 23 G HN 1.962 nan 8.290 nan 0.000 0.526 24 E N -1.880 118.337 120.200 0.028 0.000 5.927 24 E HA 0.015 4.365 4.350 0.001 0.000 0.230 24 E C 1.029 177.646 176.600 0.029 0.000 1.566 24 E CA 1.946 58.369 56.400 0.038 0.000 1.286 24 E CB -1.963 27.756 29.700 0.032 0.000 0.975 24 E HN 2.301 nan 8.360 nan 0.000 0.314 25 R N -0.302 120.220 120.500 0.036 0.000 3.374 25 R HA -0.239 4.102 4.340 0.001 0.000 0.294 25 R C 1.611 177.977 176.300 0.110 0.000 0.751 25 R CA 3.554 59.691 56.100 0.061 0.000 1.019 25 R CB -1.469 28.852 30.300 0.035 0.000 0.685 25 R HN 2.200 nan 8.270 nan 0.000 0.480 26 G N 0.006 108.886 108.800 0.133 0.000 2.491 26 G HA2 0.433 4.394 3.960 0.001 0.000 0.242 26 G HA3 0.433 4.394 3.960 0.001 0.000 0.242 26 G C -0.977 173.986 174.900 0.106 0.000 1.266 26 G CA -0.061 45.154 45.100 0.192 0.000 0.844 26 G HN 0.308 nan 8.290 nan 0.000 0.571 27 V N 2.781 122.745 119.914 0.083 0.000 2.623 27 V HA 0.269 4.389 4.120 0.001 0.000 0.304 27 V C -0.469 175.638 176.094 0.021 0.000 1.054 27 V CA -0.777 61.548 62.300 0.042 0.000 0.882 27 V CB 1.695 33.537 31.823 0.032 0.000 1.002 27 V HN 0.780 nan 8.190 nan 0.000 0.424 28 L N 5.792 127.029 121.223 0.024 0.000 2.281 28 L HA 0.674 5.015 4.340 0.001 0.000 0.285 28 L C -0.426 176.461 176.870 0.029 0.000 1.074 28 L CA 0.647 55.500 54.840 0.022 0.000 0.817 28 L CB 0.533 42.608 42.059 0.027 0.000 1.168 28 L HN 0.786 nan 8.230 nan 0.000 0.434 29 C N 3.514 122.835 119.300 0.035 0.000 2.712 29 C HA 0.456 4.916 4.460 0.001 0.000 0.308 29 C C -0.264 174.777 174.990 0.086 0.000 1.201 29 C CA -0.881 58.167 59.018 0.049 0.000 1.554 29 C CB 1.687 29.447 27.740 0.035 0.000 2.117 29 C HN 0.868 nan 8.230 nan 0.000 0.480 30 D N -0.008 120.450 120.400 0.097 0.000 2.372 30 D HA 0.119 4.760 4.640 0.001 0.000 0.243 30 D C 0.427 176.819 176.300 0.153 0.000 1.121 30 D CA -0.212 53.878 54.000 0.151 0.000 0.898 30 D CB 0.355 41.245 40.800 0.149 0.000 1.202 30 D HN 0.429 nan 8.370 nan 0.000 0.428 31 F N 2.441 122.376 119.950 -0.024 0.000 2.722 31 F HA 0.006 4.533 4.527 0.000 0.000 0.298 31 F C 0.255 175.788 175.800 -0.444 0.000 1.175 31 F CA 0.698 58.581 58.000 -0.194 0.000 1.462 31 F CB -0.292 38.595 39.000 -0.188 0.000 1.111 31 F HN 0.457 nan 8.300 nan 0.000 0.592 32 Y N -1.196 118.963 120.300 -0.235 0.000 2.426 32 Y HA 0.086 4.636 4.550 0.000 0.000 0.249 32 Y C 1.513 177.304 175.900 -0.181 0.000 1.103 32 Y CA -0.238 57.697 58.100 -0.275 0.000 1.256 32 Y CB -0.133 38.176 38.460 -0.251 0.000 1.208 32 Y HN 0.079 nan 8.280 nan 0.000 0.519 33 D N 0.472 120.856 120.400 -0.027 0.000 2.149 33 D HA -0.029 4.611 4.640 0.001 0.000 0.291 33 D C -0.101 176.147 176.300 -0.086 0.000 1.134 33 D CA -0.170 53.811 54.000 -0.032 0.000 1.056 33 D CB -0.544 40.255 40.800 -0.002 0.000 1.151 33 D HN 0.051 nan 8.370 nan 0.000 0.479 34 E N -1.090 119.074 120.200 -0.060 0.000 2.417 34 E HA 0.455 4.806 4.350 0.001 0.000 0.261 34 E C 0.527 177.072 176.600 -0.093 0.000 1.000 34 E CA 0.502 56.859 56.400 -0.070 0.000 0.919 34 E CB 0.731 30.408 29.700 -0.039 0.000 0.955 34 E HN 0.644 nan 8.360 nan 0.000 0.455 35 G N 1.617 110.340 108.800 -0.128 0.000 4.328 35 G HA2 0.055 4.015 3.960 0.001 0.000 0.133 35 G HA3 0.055 4.015 3.960 0.001 0.000 0.133 35 G C 1.176 175.996 174.900 -0.132 0.000 1.397 35 G CA 0.228 45.253 45.100 -0.124 0.000 1.001 35 G HN 0.566 nan 8.290 nan 0.000 0.325 36 A N 1.012 123.780 122.820 -0.087 0.000 2.001 36 A HA 0.241 4.562 4.320 0.001 0.000 0.224 36 A C 2.142 179.671 177.584 -0.091 0.000 1.203 36 A CA 3.056 55.051 52.037 -0.070 0.000 0.667 36 A CB -1.234 17.743 19.000 -0.038 0.000 0.823 36 A HN 2.674 nan 8.150 nan 0.000 0.473 48 D N 1.576 121.971 120.400 -0.008 0.000 2.696 48 D HA 0.620 5.261 4.640 0.001 0.000 0.251 48 D C -0.036 176.269 176.300 0.007 0.000 1.188 48 D CA 0.664 54.657 54.000 -0.012 0.000 0.876 48 D CB 1.710 42.499 40.800 -0.017 0.000 1.334 48 D HN 1.018 nan 8.370 nan 0.000 0.540 49 G N 1.722 110.523 108.800 0.001 0.000 3.446 49 G HA2 0.286 4.246 3.960 0.001 0.000 0.314 49 G HA3 0.286 4.246 3.960 0.001 0.000 0.314 49 G C 0.577 175.479 174.900 0.004 0.000 1.539 49 G CA -0.447 44.668 45.100 0.026 0.000 0.848 49 G HN 0.390 nan 8.290 nan 0.000 0.488 50 T N -2.071 112.484 114.554 0.002 0.000 3.044 50 T HA 0.045 4.395 4.350 0.001 0.000 0.250 50 T C 2.387 177.091 174.700 0.007 0.000 1.081 50 T CA 1.087 63.181 62.100 -0.009 0.000 1.040 50 T CB 0.464 69.321 68.868 -0.017 0.000 0.962 50 T HN 0.566 nan 8.240 nan 0.000 0.506 51 S N 1.053 116.766 115.700 0.022 0.000 2.446 51 S HA 0.003 4.474 4.470 0.001 0.000 0.225 51 S C 1.958 176.541 174.600 -0.028 0.000 1.016 51 S CA 0.683 58.890 58.200 0.011 0.000 0.943 51 S CB -0.185 63.043 63.200 0.047 0.000 0.786 51 S HN 0.611 nan 8.310 nan 0.000 0.508 52 E N 1.069 121.302 120.200 0.055 0.000 2.033 52 E HA 0.057 4.407 4.350 0.001 0.000 0.189 52 E C 2.310 179.038 176.600 0.213 0.000 0.979 52 E CA 0.748 57.201 56.400 0.088 0.000 0.802 52 E CB -0.483 29.388 29.700 0.285 0.000 0.763 52 E HN 0.602 nan 8.360 nan 0.000 0.449 53 A N 1.830 124.789 122.820 0.232 0.000 1.915 53 A HA -0.302 4.018 4.320 0.001 0.000 0.220 53 A C 2.213 180.001 177.584 0.339 0.000 1.198 53 A CA 2.109 54.354 52.037 0.346 0.000 0.647 53 A CB -0.770 18.235 19.000 0.008 0.000 0.825 53 A HN 0.263 nan 8.150 nan 0.000 0.456 54 R N -0.800 119.762 120.500 0.104 0.000 2.081 54 R HA -0.146 4.194 4.340 0.001 0.000 0.235 54 R C 2.065 178.356 176.300 -0.014 0.000 1.131 54 R CA 1.496 57.614 56.100 0.029 0.000 0.960 54 R CB -0.211 30.076 30.300 -0.022 0.000 0.856 54 R HN 0.524 nan 8.270 nan 0.000 0.436 55 E N -0.069 120.031 120.200 -0.167 0.000 2.118 55 E HA -0.215 4.136 4.350 0.001 0.000 0.195 55 E C 1.837 178.298 176.600 -0.233 0.000 0.992 55 E CA 1.317 57.484 56.400 -0.388 0.000 0.804 55 E CB -0.268 28.811 29.700 -1.035 0.000 0.741 55 E HN 0.349 nan 8.360 nan 0.000 0.458 56 F N 0.856 120.820 119.950 0.024 0.000 2.146 56 F HA -0.140 4.388 4.527 0.001 0.000 0.298 56 F C 2.464 178.366 175.800 0.170 0.000 1.096 56 F CA 1.066 59.152 58.000 0.143 0.000 1.275 56 F CB -0.571 38.628 39.000 0.331 0.000 1.008 56 F HN 0.001 nan 8.300 nan 0.000 0.480 57 A N -0.339 122.693 122.820 0.355 0.000 1.855 57 A HA -0.163 4.158 4.320 0.001 0.000 0.215 57 A C 2.225 179.934 177.584 0.208 0.000 1.191 57 A CA 2.186 54.431 52.037 0.347 0.000 0.613 57 A CB -1.383 17.713 19.000 0.161 0.000 0.829 57 A HN 0.309 nan 8.150 nan 0.000 0.442 58 T N 0.370 114.985 114.554 0.101 0.000 2.653 58 T HA -0.217 4.133 4.350 0.001 0.000 0.267 58 T C 1.583 176.313 174.700 0.050 0.000 1.037 58 T CA 1.830 63.958 62.100 0.048 0.000 1.159 58 T CB -0.344 68.516 68.868 -0.013 0.000 0.859 58 T HN 0.447 nan 8.240 nan 0.000 0.449 59 R N 1.915 122.445 120.500 0.050 0.000 2.363 59 R HA 0.150 4.491 4.340 0.001 0.000 0.236 59 R C 0.638 176.976 176.300 0.063 0.000 0.966 59 R CA 0.255 56.377 56.100 0.037 0.000 1.100 59 R CB -0.220 30.078 30.300 -0.002 0.000 1.125 59 R HN 0.559 nan 8.270 nan 0.000 0.514 64 S N 2.558 118.192 115.700 -0.110 0.000 2.336 64 S HA 0.138 4.609 4.470 0.001 0.000 0.214 64 S C 0.941 175.493 174.600 -0.080 0.000 1.032 64 S CA 1.869 60.026 58.200 -0.071 0.000 1.001 64 S CB -0.027 63.141 63.200 -0.054 0.000 0.953 64 S HN 1.335 nan 8.310 nan 0.000 0.430 65 G N 0.690 109.427 108.800 -0.105 0.000 3.212 65 G HA2 0.608 4.569 3.960 0.001 0.000 0.188 65 G HA3 0.608 4.569 3.960 0.001 0.000 0.188 65 G C -2.867 171.970 174.900 -0.105 0.000 1.254 65 G CA -0.882 44.167 45.100 -0.084 0.000 0.957 65 G HN 0.395 nan 8.290 nan 0.000 0.596 66 P HA 0.435 nan 4.420 nan 0.000 0.276 66 P C -0.891 176.472 177.300 0.105 0.000 1.244 66 P CA -0.241 62.881 63.100 0.038 0.000 0.801 66 P CB 1.817 33.576 31.700 0.097 0.000 1.006 67 V N 2.562 122.501 119.914 0.041 0.000 2.555 67 V HA 0.273 4.393 4.120 0.001 0.000 0.302 67 V C 0.115 176.107 176.094 -0.172 0.000 1.038 67 V CA -0.837 61.406 62.300 -0.095 0.000 0.887 67 V CB 1.568 33.215 31.823 -0.293 0.000 0.991 67 V HN 0.424 nan 8.190 nan 0.000 0.434 68 L N 3.979 124.899 121.223 -0.504 0.000 2.262 68 L HA 0.545 4.886 4.340 0.001 0.000 0.288 68 L C -0.033 176.629 176.870 -0.347 0.000 1.035 68 L CA 0.335 54.756 54.840 -0.698 0.000 0.820 68 L CB 0.974 42.166 42.059 -1.444 0.000 1.204 68 L HN 0.803 nan 8.230 nan 0.000 0.424 69 E N 5.297 125.374 120.200 -0.205 0.000 2.146 69 E HA 0.340 4.690 4.350 0.001 0.000 0.282 69 E C -1.250 175.235 176.600 -0.190 0.000 0.989 69 E CA -0.623 55.711 56.400 -0.109 0.000 0.799 69 E CB 0.889 30.609 29.700 0.034 0.000 1.088 69 E HN 0.709 nan 8.360 nan 0.000 0.397 70 L N 3.240 124.354 121.223 -0.180 0.000 2.312 70 L HA 0.384 4.725 4.340 0.001 0.000 0.281 70 L C 0.540 177.330 176.870 -0.132 0.000 1.070 70 L CA -0.321 54.378 54.840 -0.236 0.000 0.805 70 L CB 1.312 43.231 42.059 -0.234 0.000 1.174 70 L HN 0.847 nan 8.230 nan 0.000 0.434 71 A N 2.760 125.494 122.820 -0.144 0.000 2.519 71 A HA -0.191 4.129 4.320 0.001 0.000 0.297 71 A C 1.256 178.823 177.584 -0.029 0.000 1.472 71 A CA 0.698 52.693 52.037 -0.071 0.000 0.739 71 A CB -1.454 17.521 19.000 -0.041 0.000 1.096 71 A HN 1.006 nan 8.150 nan 0.000 0.414 72 A N -0.053 122.751 122.820 -0.026 0.000 2.239 72 A HA 0.451 4.772 4.320 0.001 0.000 0.209 72 A C 2.634 180.290 177.584 0.120 0.000 1.171 72 A CA 1.614 53.675 52.037 0.041 0.000 0.768 72 A CB -0.988 18.050 19.000 0.063 0.000 0.790 72 A HN 2.904 nan 8.150 nan 0.000 0.478 73 G N -0.071 108.787 108.800 0.096 0.000 2.651 73 G HA2 -0.378 3.582 3.960 0.001 0.000 0.315 73 G HA3 -0.378 3.582 3.960 0.001 0.000 0.315 73 G C 0.851 175.881 174.900 0.216 0.000 1.258 73 G CA 0.854 46.022 45.100 0.113 0.000 1.002 73 G HN 0.417 nan 8.290 nan 0.000 0.551 74 M N 1.848 121.516 119.600 0.114 0.000 2.383 74 M HA 0.329 4.810 4.480 0.001 0.000 0.247 74 M C 1.728 177.883 176.300 -0.240 0.000 1.117 74 M CA 1.136 56.452 55.300 0.028 0.000 0.995 74 M CB 0.436 33.035 32.600 -0.002 0.000 1.480 74 M HN 1.967 nan 8.290 nan 0.000 0.485 75 G N 1.137 109.844 108.800 -0.155 0.000 2.144 75 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 75 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 75 G C 0.823 175.715 174.900 -0.013 0.000 0.988 75 G CA 0.480 45.430 45.100 -0.249 0.000 0.659 75 G HN 0.452 nan 8.290 nan 0.000 0.522 76 R N -0.100 120.378 120.500 -0.037 0.000 2.133 76 R HA -0.125 4.215 4.340 0.001 0.000 0.245 76 R C 2.311 178.535 176.300 -0.127 0.000 1.137 76 R CA 2.376 58.446 56.100 -0.051 0.000 0.947 76 R CB -0.315 29.965 30.300 -0.034 0.000 0.865 76 R HN 0.558 nan 8.270 nan 0.000 0.437 77 L N -1.219 119.853 121.223 -0.252 0.000 2.354 77 L HA 0.046 4.386 4.340 0.001 0.000 0.212 77 L C 2.295 178.694 176.870 -0.785 0.000 1.091 77 L CA 0.798 55.284 54.840 -0.590 0.000 0.828 77 L CB -0.259 41.331 42.059 -0.782 0.000 0.973 77 L HN 0.205 nan 8.230 nan 0.000 0.461 78 T N 0.282 114.584 114.554 -0.420 0.000 2.746 78 T HA -0.137 4.213 4.350 0.001 0.000 0.267 78 T C 1.648 176.204 174.700 -0.240 0.000 1.039 78 T CA 1.557 63.508 62.100 -0.250 0.000 1.142 78 T CB -0.340 68.484 68.868 -0.073 0.000 0.866 78 T HN 0.064 nan 8.240 nan 0.000 0.444 79 F N 1.454 121.321 119.950 -0.139 0.000 2.060 79 F HA 0.082 4.609 4.527 0.001 0.000 0.295 79 F C -0.460 175.280 175.800 -0.100 0.000 1.120 79 F CA 0.455 58.395 58.000 -0.100 0.000 1.205 79 F CB -1.860 37.050 39.000 -0.150 0.000 0.986 79 F HN 0.118 nan 8.300 nan 0.000 0.470 80 P HA -0.224 nan 4.420 nan 0.000 0.218 80 P C 1.718 178.989 177.300 -0.048 0.000 1.154 80 P CA 1.639 64.704 63.100 -0.059 0.000 0.872 80 P CB -0.241 31.373 31.700 -0.144 0.000 0.790 81 F N -1.235 118.591 119.950 -0.206 0.000 2.102 81 F HA -0.111 4.417 4.527 0.001 0.000 0.298 81 F C 2.354 177.982 175.800 -0.286 0.000 1.105 81 F CA 0.722 58.486 58.000 -0.393 0.000 1.239 81 F CB -1.765 37.182 39.000 -0.089 0.000 0.991 81 F HN -0.151 nan 8.300 nan 0.000 0.474 82 L N -0.423 120.872 121.223 0.120 0.000 2.131 82 L HA -0.226 4.114 4.340 0.001 0.000 0.210 82 L C 2.150 179.052 176.870 0.053 0.000 1.092 82 L CA 1.232 56.135 54.840 0.104 0.000 0.759 82 L CB -0.600 41.518 42.059 0.099 0.000 0.903 82 L HN 0.092 nan 8.230 nan 0.000 0.435 83 D N 0.076 120.490 120.400 0.024 0.000 2.218 83 D HA -0.130 4.511 4.640 0.001 0.000 0.204 83 D C 1.893 178.161 176.300 -0.053 0.000 0.976 83 D CA 1.178 55.178 54.000 0.000 0.000 0.853 83 D CB 0.094 40.893 40.800 -0.002 0.000 0.939 83 D HN 0.346 nan 8.370 nan 0.000 0.481 84 L N -0.322 120.802 121.223 -0.166 0.000 2.627 84 L HA 0.148 4.488 4.340 0.001 0.000 0.232 84 L C 1.556 178.366 176.870 -0.100 0.000 1.150 84 L CA 0.221 54.923 54.840 -0.229 0.000 0.917 84 L CB 0.074 41.802 42.059 -0.552 0.000 1.104 84 L HN 0.055 nan 8.230 nan 0.000 0.445 85 G N -2.055 106.752 108.800 0.012 0.000 2.179 85 G HA2 -0.264 3.697 3.960 0.001 0.000 0.260 85 G HA3 -0.264 3.697 3.960 0.001 0.000 0.260 85 G C -0.040 175.030 174.900 0.282 0.000 0.977 85 G CA -0.466 44.716 45.100 0.136 0.000 0.641 85 G HN 0.173 nan 8.290 nan 0.000 0.533 86 W N 1.578 122.905 121.300 0.044 0.000 2.158 86 W HA 0.544 5.204 4.660 0.001 0.000 0.339 86 W C 0.783 177.324 176.519 0.037 0.000 1.294 86 W CA -0.909 56.450 57.345 0.024 0.000 1.231 86 W CB 0.196 29.652 29.460 -0.007 0.000 1.143 86 W HN 0.239 nan 8.180 nan 0.000 0.571 87 E N 1.149 121.486 120.200 0.228 0.000 2.194 87 E HA 0.327 4.677 4.350 0.001 0.000 0.284 87 E C -0.833 175.863 176.600 0.160 0.000 1.035 87 E CA -0.375 56.118 56.400 0.154 0.000 0.836 87 E CB 1.048 30.805 29.700 0.095 0.000 1.070 87 E HN -0.002 nan 8.360 nan 0.000 0.401 88 V N 3.397 123.402 119.914 0.152 0.000 2.444 88 V HA 0.185 4.306 4.120 0.001 0.000 0.294 88 V C -0.043 176.087 176.094 0.059 0.000 1.022 88 V CA -0.812 61.565 62.300 0.127 0.000 0.850 88 V CB 2.009 33.944 31.823 0.187 0.000 0.992 88 V HN 0.661 nan 8.190 nan 0.000 0.426 89 T N 5.020 119.598 114.554 0.040 0.000 2.794 89 T HA 0.513 4.863 4.350 0.001 0.000 0.304 89 T C 0.308 174.926 174.700 -0.136 0.000 0.973 89 T CA -0.041 62.048 62.100 -0.017 0.000 0.972 89 T CB 0.686 69.614 68.868 0.101 0.000 0.952 89 T HN 0.866 nan 8.240 nan 0.000 0.509 90 A N 4.526 127.238 122.820 -0.181 0.000 2.276 90 A HA 0.669 4.989 4.320 0.001 0.000 0.300 90 A C -0.180 177.239 177.584 -0.275 0.000 1.235 90 A CA -0.657 51.240 52.037 -0.233 0.000 0.867 90 A CB 0.213 19.017 19.000 -0.325 0.000 1.137 90 A HN 0.878 nan 8.150 nan 0.000 0.527 91 L N 2.321 123.389 121.223 -0.258 0.000 2.296 91 L HA 0.802 5.143 4.340 0.001 0.000 0.286 91 L C -0.496 176.250 176.870 -0.207 0.000 1.023 91 L CA -0.335 54.348 54.840 -0.263 0.000 0.812 91 L CB 1.427 43.254 42.059 -0.387 0.000 1.223 91 L HN 0.768 nan 8.230 nan 0.000 0.421 92 E N 3.464 123.568 120.200 -0.160 0.000 2.340 92 E HA 0.248 4.598 4.350 0.001 0.000 0.273 92 E C -0.686 175.870 176.600 -0.074 0.000 0.891 92 E CA -0.644 55.697 56.400 -0.098 0.000 0.757 92 E CB 2.028 31.690 29.700 -0.064 0.000 1.231 92 E HN 0.583 nan 8.360 nan 0.000 0.439 93 L N 2.415 123.608 121.223 -0.049 0.000 2.253 93 L HA 0.399 4.739 4.340 0.001 0.000 0.205 93 L C 0.609 177.467 176.870 -0.020 0.000 1.078 93 L CA 0.766 55.586 54.840 -0.034 0.000 0.805 93 L CB 0.088 42.131 42.059 -0.027 0.000 0.963 93 L HN 0.427 nan 8.230 nan 0.000 0.459 94 S N -0.785 114.908 115.700 -0.012 0.000 2.455 94 S HA 0.079 4.550 4.470 0.001 0.000 0.278 94 S C 1.524 176.125 174.600 0.003 0.000 1.216 94 S CA 0.280 58.479 58.200 -0.002 0.000 1.055 94 S CB 0.389 63.593 63.200 0.007 0.000 0.939 94 S HN 0.582 nan 8.310 nan 0.000 0.494 95 T N 2.315 116.870 114.554 0.001 0.000 2.881 95 T HA -0.141 4.210 4.350 0.001 0.000 0.270 95 T C 2.043 176.752 174.700 0.016 0.000 1.068 95 T CA 1.581 63.684 62.100 0.004 0.000 1.131 95 T CB -0.640 68.230 68.868 0.002 0.000 0.871 95 T HN 0.698 nan 8.240 nan 0.000 0.479 96 S N 0.963 116.673 115.700 0.018 0.000 2.357 96 S HA -0.045 4.425 4.470 0.001 0.000 0.221 96 S C 2.082 176.706 174.600 0.041 0.000 1.031 96 S CA 0.988 59.202 58.200 0.024 0.000 0.982 96 S CB -0.972 62.239 63.200 0.018 0.000 0.853 96 S HN 0.356 nan 8.310 nan 0.000 0.458 97 V N 2.234 122.174 119.914 0.045 0.000 2.287 97 V HA -0.143 3.978 4.120 0.001 0.000 0.248 97 V C 2.648 178.811 176.094 0.115 0.000 1.053 97 V CA 1.981 64.326 62.300 0.075 0.000 1.027 97 V CB -0.896 30.969 31.823 0.070 0.000 0.646 97 V HN 0.483 nan 8.190 nan 0.000 0.447 98 L N -0.185 121.082 121.223 0.074 0.000 2.043 98 L HA -0.258 4.082 4.340 0.001 0.000 0.212 98 L C 2.673 179.596 176.870 0.089 0.000 1.075 98 L CA 1.821 56.695 54.840 0.057 0.000 0.752 98 L CB -0.647 41.407 42.059 -0.008 0.000 0.891 98 L HN 0.409 nan 8.230 nan 0.000 0.432 99 A N -0.527 122.334 122.820 0.069 0.000 1.902 99 A HA -0.190 4.131 4.320 0.001 0.000 0.217 99 A C 2.441 180.085 177.584 0.100 0.000 1.181 99 A CA 1.775 53.853 52.037 0.069 0.000 0.623 99 A CB -0.660 18.367 19.000 0.044 0.000 0.818 99 A HN 0.472 nan 8.150 nan 0.000 0.443 100 A N -1.423 121.461 122.820 0.107 0.000 1.897 100 A HA -0.000 4.320 4.320 0.001 0.000 0.215 100 A C 2.082 179.763 177.584 0.163 0.000 1.181 100 A CA 1.301 53.397 52.037 0.099 0.000 0.620 100 A CB -0.742 18.298 19.000 0.066 0.000 0.821 100 A HN 0.607 nan 8.150 nan 0.000 0.443 101 F N 0.210 120.195 119.950 0.059 0.000 2.120 101 F HA -0.250 4.277 4.527 0.000 0.000 0.300 101 F C 2.486 178.355 175.800 0.115 0.000 1.095 101 F CA 1.978 60.041 58.000 0.104 0.000 1.249 101 F CB -0.004 39.028 39.000 0.052 0.000 0.995 101 F HN 0.146 nan 8.300 nan 0.000 0.480 102 R N 0.232 120.966 120.500 0.391 0.000 2.189 102 R HA -0.133 4.208 4.340 0.001 0.000 0.223 102 R C 2.183 178.596 176.300 0.188 0.000 1.092 102 R CA 1.018 57.273 56.100 0.259 0.000 0.989 102 R CB -0.088 30.289 30.300 0.129 0.000 0.876 102 R HN 0.247 nan 8.270 nan 0.000 0.457 103 K N -0.083 120.406 120.400 0.148 0.000 2.007 103 K HA -0.087 4.233 4.320 0.001 0.000 0.206 103 K C 2.075 178.717 176.600 0.069 0.000 1.047 103 K CA 1.140 57.478 56.287 0.085 0.000 0.937 103 K CB 0.066 32.596 32.500 0.051 0.000 0.718 103 K HN 0.046 nan 8.250 nan 0.000 0.438 104 R N 0.394 120.930 120.500 0.060 0.000 2.096 104 R HA -0.175 4.165 4.340 0.001 0.000 0.240 104 R C 2.321 178.680 176.300 0.098 0.000 1.139 104 R CA 1.488 57.573 56.100 -0.025 0.000 0.952 104 R CB -0.493 29.708 30.300 -0.165 0.000 0.854 104 R HN 0.142 nan 8.270 nan 0.000 0.436 105 L N 0.686 122.106 121.223 0.328 0.000 2.079 105 L HA -0.132 4.209 4.340 0.001 0.000 0.210 105 L C 2.196 179.189 176.870 0.205 0.000 1.081 105 L CA 1.937 57.007 54.840 0.384 0.000 0.752 105 L CB -0.657 41.668 42.059 0.443 0.000 0.896 105 L HN 0.160 nan 8.230 nan 0.000 0.433 106 A N -1.133 121.774 122.820 0.144 0.000 1.933 106 A HA -0.189 4.131 4.320 0.001 0.000 0.218 106 A C 1.906 179.526 177.584 0.060 0.000 1.175 106 A CA 1.613 53.703 52.037 0.089 0.000 0.628 106 A CB -0.482 18.559 19.000 0.068 0.000 0.814 106 A HN 0.481 nan 8.150 nan 0.000 0.444 107 E N -0.584 119.640 120.200 0.040 0.000 2.335 107 E HA 0.508 4.859 4.350 0.001 0.000 0.191 107 E C -0.193 176.407 176.600 -0.001 0.000 1.077 107 E CA 0.440 56.843 56.400 0.006 0.000 1.010 107 E CB 0.253 29.939 29.700 -0.024 0.000 1.141 107 E HN 0.539 nan 8.360 nan 0.000 0.452 108 A N 0.900 123.743 122.820 0.038 0.000 2.414 108 A HA 0.586 4.906 4.320 0.001 0.000 0.306 108 A C -2.581 175.042 177.584 0.065 0.000 1.054 108 A CA -1.923 50.141 52.037 0.046 0.000 0.724 108 A CB 0.791 19.841 19.000 0.083 0.000 1.267 108 A HN -0.069 nan 8.150 nan 0.000 0.418 109 P HA -0.083 nan 4.420 nan 0.000 0.257 109 P C 1.165 178.502 177.300 0.061 0.000 1.144 109 P CA 1.271 64.400 63.100 0.048 0.000 0.761 109 P CB 0.244 31.971 31.700 0.043 0.000 0.734 110 A N 5.091 127.942 122.820 0.052 0.000 2.054 110 A HA -0.273 4.047 4.320 0.001 0.000 0.223 110 A C 1.843 179.460 177.584 0.056 0.000 1.169 110 A CA 2.188 54.257 52.037 0.053 0.000 0.655 110 A CB -0.755 18.269 19.000 0.040 0.000 0.812 110 A HN 0.649 nan 8.150 nan 0.000 0.462 111 D N 0.080 120.513 120.400 0.054 0.000 2.084 111 D HA -0.119 4.521 4.640 0.001 0.000 0.196 111 D C 1.954 178.298 176.300 0.073 0.000 0.985 111 D CA 1.576 55.610 54.000 0.057 0.000 0.826 111 D CB -1.077 39.754 40.800 0.051 0.000 0.978 111 D HN 0.285 nan 8.370 nan 0.000 0.456 112 V N 1.766 121.731 119.914 0.084 0.000 2.231 112 V HA -0.307 3.813 4.120 0.001 0.000 0.248 112 V C 2.926 179.091 176.094 0.118 0.000 1.054 112 V CA 2.307 64.674 62.300 0.110 0.000 1.015 112 V CB -0.920 30.984 31.823 0.135 0.000 0.638 112 V HN 0.195 nan 8.190 nan 0.000 0.444 113 R N 0.234 120.805 120.500 0.119 0.000 2.133 113 R HA -0.241 4.099 4.340 0.001 0.000 0.247 113 R C 1.771 178.122 176.300 0.085 0.000 1.151 113 R CA 2.346 58.515 56.100 0.116 0.000 0.971 113 R CB -0.407 29.954 30.300 0.103 0.000 0.866 113 R HN 0.526 nan 8.270 nan 0.000 0.447 114 D N -0.447 119.997 120.400 0.072 0.000 2.347 114 D HA -0.016 4.625 4.640 0.001 0.000 0.213 114 D C 1.320 177.655 176.300 0.058 0.000 0.985 114 D CA 0.606 54.641 54.000 0.057 0.000 0.879 114 D CB 0.099 40.928 40.800 0.048 0.000 0.919 114 D HN 0.304 nan 8.370 nan 0.000 0.526 115 R N -0.564 119.978 120.500 0.071 0.000 2.310 115 R HA 0.134 4.475 4.340 0.001 0.000 0.202 115 R C 0.336 176.681 176.300 0.075 0.000 0.933 115 R CA -0.079 56.068 56.100 0.079 0.000 1.054 115 R CB 0.298 30.660 30.300 0.104 0.000 0.985 115 R HN 0.019 nan 8.270 nan 0.000 0.489 116 C N 1.147 120.482 119.300 0.057 0.000 2.319 116 C HA 0.453 4.913 4.460 0.001 0.000 0.335 116 C C -0.082 174.902 174.990 -0.010 0.000 1.274 116 C CA -0.099 58.933 59.018 0.024 0.000 1.806 116 C CB 0.712 28.467 27.740 0.026 0.000 2.329 116 C HN 0.246 nan 8.230 nan 0.000 0.524 117 T N 7.405 121.934 114.554 -0.042 0.000 2.809 117 T HA 0.442 4.792 4.350 0.001 0.000 0.284 117 T C -0.524 174.088 174.700 -0.147 0.000 0.992 117 T CA -0.232 61.833 62.100 -0.058 0.000 0.957 117 T CB 0.905 69.771 68.868 -0.003 0.000 0.942 117 T HN 0.571 nan 8.240 nan 0.000 0.439 118 L N 3.235 124.343 121.223 -0.192 0.000 2.357 118 L HA 0.796 5.137 4.340 0.001 0.000 0.273 118 L C -0.571 176.200 176.870 -0.164 0.000 1.080 118 L CA -0.878 53.795 54.840 -0.278 0.000 0.803 118 L CB 1.345 43.199 42.059 -0.341 0.000 1.174 118 L HN 0.373 nan 8.230 nan 0.000 0.443 119 V N 1.844 121.658 119.914 -0.167 0.000 2.711 119 V HA 0.238 4.359 4.120 0.001 0.000 0.304 119 V C -0.407 175.623 176.094 -0.106 0.000 1.097 119 V CA -0.801 61.438 62.300 -0.102 0.000 0.906 119 V CB 1.551 33.330 31.823 -0.072 0.000 1.015 119 V HN 0.763 nan 8.190 nan 0.000 0.427 120 Q N 2.072 121.831 119.800 -0.068 0.000 2.392 120 Q HA 0.608 4.948 4.340 0.001 0.000 0.262 120 Q C 0.149 176.123 176.000 -0.043 0.000 1.003 120 Q CA 0.894 56.664 55.803 -0.055 0.000 0.888 120 Q CB 1.318 30.038 28.738 -0.031 0.000 1.260 120 Q HN 1.235 nan 8.270 nan 0.000 0.435 121 G N 2.243 111.015 108.800 -0.046 0.000 2.404 121 G HA2 0.154 4.114 3.960 0.001 0.000 0.298 121 G HA3 0.154 4.114 3.960 0.001 0.000 0.298 121 G C -2.090 172.791 174.900 -0.031 0.000 1.577 121 G CA -0.754 44.330 45.100 -0.027 0.000 0.847 121 G HN 0.596 nan 8.290 nan 0.000 0.598 122 D N 1.914 122.332 120.400 0.029 0.000 2.412 122 D HA 0.259 4.899 4.640 0.001 0.000 0.224 122 D C 1.982 178.340 176.300 0.096 0.000 1.093 122 D CA -0.715 53.307 54.000 0.036 0.000 0.850 122 D CB 1.169 41.997 40.800 0.046 0.000 1.046 122 D HN 0.486 nan 8.370 nan 0.000 0.507 123 M N 2.082 121.685 119.600 0.005 0.000 2.435 123 M HA -0.160 4.320 4.480 0.001 0.000 0.262 123 M C 1.358 177.793 176.300 0.225 0.000 1.065 123 M CA 1.441 56.761 55.300 0.034 0.000 1.076 123 M CB -0.395 32.146 32.600 -0.098 0.000 1.403 123 M HN 0.210 nan 8.290 nan 0.000 0.454 124 S N 0.319 116.089 115.700 0.117 0.000 2.496 124 S HA 0.410 4.881 4.470 0.001 0.000 0.224 124 S C 0.924 175.564 174.600 0.066 0.000 0.996 124 S CA 0.080 58.319 58.200 0.065 0.000 0.927 124 S CB -0.030 63.176 63.200 0.010 0.000 0.774 124 S HN 0.653 nan 8.310 nan 0.000 0.524 125 A N 0.706 123.594 122.820 0.114 0.000 3.044 125 A HA 0.564 4.885 4.320 0.001 0.000 0.289 125 A C -0.677 176.969 177.584 0.103 0.000 1.236 125 A CA -0.918 51.146 52.037 0.044 0.000 0.871 125 A CB -0.324 18.691 19.000 0.024 0.000 1.424 125 A HN 0.697 nan 8.150 nan 0.000 0.564 126 F N -0.341 119.592 119.950 -0.028 0.000 2.603 126 F HA 0.959 5.487 4.527 0.001 0.000 0.317 126 F C -0.280 175.541 175.800 0.035 0.000 1.066 126 F CA -1.048 56.930 58.000 -0.038 0.000 0.941 126 F CB 1.888 40.817 39.000 -0.118 0.000 1.291 126 F HN 0.730 nan 8.300 nan 0.000 0.472 127 A N 4.065 127.012 122.820 0.212 0.000 2.497 127 A HA 0.664 4.984 4.320 0.001 0.000 0.280 127 A C -1.857 175.957 177.584 0.383 0.000 1.065 127 A CA -0.570 51.635 52.037 0.279 0.000 0.781 127 A CB 0.612 19.672 19.000 0.101 0.000 1.289 127 A HN 0.856 nan 8.150 nan 0.000 0.415 128 L N 1.278 122.887 121.223 0.645 0.000 2.331 128 L HA 0.459 4.800 4.340 0.001 0.000 0.275 128 L C -0.099 176.884 176.870 0.189 0.000 1.022 128 L CA -0.968 54.105 54.840 0.388 0.000 0.812 128 L CB 1.819 44.190 42.059 0.520 0.000 1.257 128 L HN 0.719 nan 8.230 nan 0.000 0.435 129 D N 3.046 123.509 120.400 0.106 0.000 2.671 129 D HA 0.175 4.816 4.640 0.001 0.000 0.228 129 D C -0.495 175.797 176.300 -0.013 0.000 1.102 129 D CA 0.430 54.444 54.000 0.023 0.000 1.044 129 D CB -0.151 40.657 40.800 0.012 0.000 1.113 129 D HN 0.399 nan 8.370 nan 0.000 0.480 130 K N 1.022 121.400 120.400 -0.036 0.000 2.688 130 K HA 0.211 4.531 4.320 0.001 0.000 0.270 130 K C -0.965 175.515 176.600 -0.199 0.000 1.013 130 K CA -0.643 55.544 56.287 -0.168 0.000 0.924 130 K CB 1.156 33.528 32.500 -0.213 0.000 1.378 130 K HN 0.010 nan 8.250 nan 0.000 0.402 131 R N 1.496 121.804 120.500 -0.321 0.000 2.810 131 R HA 0.693 5.034 4.340 0.001 0.000 0.245 131 R C -1.002 175.011 176.300 -0.478 0.000 1.168 131 R CA -0.627 55.351 56.100 -0.204 0.000 1.096 131 R CB 0.843 31.080 30.300 -0.104 0.000 1.259 131 R HN 0.358 nan 8.270 nan 0.000 0.518 132 F N -1.977 117.990 119.950 0.027 0.000 2.615 132 F HA 0.258 4.785 4.527 0.001 0.000 0.312 132 F C 0.841 176.638 175.800 -0.005 0.000 1.119 132 F CA -0.693 57.313 58.000 0.011 0.000 0.979 132 F CB 2.170 41.191 39.000 0.036 0.000 1.266 132 F HN 0.688 nan 8.300 nan 0.000 0.444 133 G N 0.638 109.527 108.800 0.147 0.000 2.430 133 G HA2 0.161 4.121 3.960 0.001 0.000 0.216 133 G HA3 0.161 4.121 3.960 0.001 0.000 0.216 133 G C 0.154 175.086 174.900 0.054 0.000 1.146 133 G CA 0.745 45.880 45.100 0.058 0.000 0.793 133 G HN 0.483 nan 8.290 nan 0.000 0.537 134 T N -0.264 114.317 114.554 0.045 0.000 2.921 134 T HA 0.528 4.878 4.350 0.001 0.000 0.297 134 T C -1.223 173.464 174.700 -0.022 0.000 1.013 134 T CA -0.373 61.719 62.100 -0.013 0.000 0.990 134 T CB 2.748 71.511 68.868 -0.174 0.000 1.023 134 T HN -0.076 nan 8.240 nan 0.000 0.447 135 V N 3.729 123.662 119.914 0.031 0.000 2.531 135 V HA 0.747 4.868 4.120 0.001 0.000 0.301 135 V C -0.186 176.010 176.094 0.170 0.000 1.034 135 V CA -0.878 61.407 62.300 -0.026 0.000 0.865 135 V CB 1.622 33.372 31.823 -0.122 0.000 0.995 135 V HN 0.811 nan 8.190 nan 0.000 0.424 136 V N 3.450 123.413 119.914 0.082 0.000 2.769 136 V HA 0.864 4.984 4.120 0.001 0.000 0.312 136 V C -0.842 175.326 176.094 0.124 0.000 1.061 136 V CA -0.788 61.595 62.300 0.137 0.000 0.931 136 V CB 1.962 33.734 31.823 -0.085 0.000 1.010 136 V HN 0.838 nan 8.190 nan 0.000 0.433 137 I N 3.547 124.234 120.570 0.194 0.000 2.644 137 I HA 0.683 4.853 4.170 0.001 0.000 0.291 137 I C -0.038 176.198 176.117 0.198 0.000 1.180 137 I CA -0.120 61.280 61.300 0.166 0.000 1.040 137 I CB 2.315 40.471 38.000 0.260 0.000 1.255 137 I HN 1.109 nan 8.210 nan 0.000 0.422 138 S N 3.997 119.784 115.700 0.146 0.000 2.616 138 S HA 0.263 4.734 4.470 0.001 0.000 0.277 138 S C 1.118 175.820 174.600 0.169 0.000 1.234 138 S CA 0.229 58.561 58.200 0.220 0.000 1.028 138 S CB 1.782 65.072 63.200 0.150 0.000 0.988 138 S HN 0.804 nan 8.310 nan 0.000 0.522 139 S N 2.988 118.793 115.700 0.174 0.000 2.365 139 S HA -0.096 4.374 4.470 0.001 0.000 0.225 139 S C 2.087 176.739 174.600 0.087 0.000 1.039 139 S CA 2.153 60.418 58.200 0.108 0.000 1.033 139 S CB -1.717 61.532 63.200 0.082 0.000 0.887 139 S HN 1.143 nan 8.310 nan 0.000 0.447 140 G N 0.633 109.490 108.800 0.094 0.000 2.624 140 G HA2 -0.282 3.679 3.960 0.001 0.000 0.221 140 G HA3 -0.282 3.679 3.960 0.001 0.000 0.221 140 G C 1.685 176.625 174.900 0.067 0.000 1.169 140 G CA 1.570 46.721 45.100 0.084 0.000 0.771 140 G HN 0.637 nan 8.290 nan 0.000 0.598 141 S N 0.262 116.002 115.700 0.066 0.000 2.345 141 S HA -0.029 4.441 4.470 0.001 0.000 0.219 141 S C 2.241 176.870 174.600 0.048 0.000 1.031 141 S CA 0.887 59.116 58.200 0.049 0.000 0.984 141 S CB -0.337 62.889 63.200 0.043 0.000 0.874 141 S HN 0.392 nan 8.310 nan 0.000 0.451 142 I N 2.584 123.195 120.570 0.068 0.000 2.248 142 I HA -0.252 3.918 4.170 0.001 0.000 0.248 142 I C 1.569 177.714 176.117 0.047 0.000 1.107 142 I CA 1.315 62.657 61.300 0.069 0.000 1.373 142 I CB -0.209 37.849 38.000 0.095 0.000 1.055 142 I HN 0.240 nan 8.210 nan 0.000 0.418 143 N N 0.931 119.657 118.700 0.043 0.000 2.573 143 N HA -0.150 4.590 4.740 0.001 0.000 0.187 143 N C 1.210 176.729 175.510 0.016 0.000 1.107 143 N CA 0.795 53.862 53.050 0.029 0.000 0.918 143 N CB -0.096 38.407 38.487 0.028 0.000 0.966 143 N HN 0.593 nan 8.380 nan 0.000 0.448 144 E N 0.292 120.501 120.200 0.015 0.000 2.358 144 E HA 0.044 4.394 4.350 0.001 0.000 0.195 144 E C 0.407 177.005 176.600 -0.003 0.000 1.010 144 E CA 0.289 56.690 56.400 0.002 0.000 0.856 144 E CB 0.410 30.110 29.700 -0.000 0.000 0.795 144 E HN 0.346 nan 8.360 nan 0.000 0.504 145 L N 2.806 124.028 121.223 -0.001 0.000 2.312 145 L HA 0.123 4.464 4.340 0.001 0.000 0.281 145 L C 0.445 177.310 176.870 -0.008 0.000 1.070 145 L CA -0.969 53.864 54.840 -0.011 0.000 0.805 145 L CB 0.800 42.844 42.059 -0.026 0.000 1.174 145 L HN -0.023 nan 8.230 nan 0.000 0.434 146 D N 0.685 121.079 120.400 -0.010 0.000 2.325 146 D HA -0.046 4.594 4.640 0.001 0.000 0.262 146 D C 0.768 177.066 176.300 -0.003 0.000 1.263 146 D CA -0.349 53.650 54.000 -0.003 0.000 1.020 146 D CB 0.550 41.349 40.800 -0.002 0.000 1.117 146 D HN 0.544 nan 8.370 nan 0.000 0.545 147 E N -0.983 119.223 120.200 0.009 0.000 2.106 147 E HA -0.156 4.194 4.350 0.001 0.000 0.192 147 E C 1.980 178.585 176.600 0.009 0.000 0.984 147 E CA 0.916 57.331 56.400 0.024 0.000 0.806 147 E CB -0.181 29.541 29.700 0.036 0.000 0.750 147 E HN 0.514 nan 8.360 nan 0.000 0.458 148 A N 1.755 124.576 122.820 0.001 0.000 1.835 148 A HA -0.213 4.107 4.320 0.001 0.000 0.215 148 A C 1.802 179.366 177.584 -0.034 0.000 1.199 148 A CA 1.925 53.959 52.037 -0.004 0.000 0.615 148 A CB -0.685 18.315 19.000 0.000 0.000 0.838 148 A HN 0.210 nan 8.150 nan 0.000 0.444 149 D N -0.494 119.883 120.400 -0.039 0.000 2.182 149 D HA -0.143 4.497 4.640 0.001 0.000 0.201 149 D C 2.069 178.288 176.300 -0.135 0.000 0.986 149 D CA 1.004 54.969 54.000 -0.058 0.000 0.847 149 D CB -0.394 40.383 40.800 -0.037 0.000 0.942 149 D HN 0.429 nan 8.370 nan 0.000 0.467 150 R N 0.361 120.756 120.500 -0.174 0.000 2.081 150 R HA -0.013 4.328 4.340 0.001 0.000 0.235 150 R C 2.364 178.169 176.300 -0.825 0.000 1.131 150 R CA 0.842 56.691 56.100 -0.418 0.000 0.960 150 R CB -0.078 30.085 30.300 -0.228 0.000 0.856 150 R HN 0.211 nan 8.270 nan 0.000 0.436 151 R N -0.415 119.884 120.500 -0.336 0.000 2.091 151 R HA -0.112 4.229 4.340 0.001 0.000 0.238 151 R C 2.385 178.628 176.300 -0.096 0.000 1.136 151 R CA 1.397 57.437 56.100 -0.100 0.000 0.959 151 R CB -0.564 29.776 30.300 0.066 0.000 0.856 151 R HN 0.333 nan 8.270 nan 0.000 0.437 152 G N 1.657 110.394 108.800 -0.106 0.000 2.446 152 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 152 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 152 G C 1.375 176.246 174.900 -0.048 0.000 1.168 152 G CA 0.579 45.649 45.100 -0.050 0.000 0.771 152 G HN 0.215 nan 8.290 nan 0.000 0.551 153 L N -0.174 120.983 121.223 -0.111 0.000 1.990 153 L HA -0.131 4.210 4.340 0.001 0.000 0.213 153 L C 2.684 179.606 176.870 0.087 0.000 1.072 153 L CA 1.783 56.605 54.840 -0.030 0.000 0.755 153 L CB -0.820 41.173 42.059 -0.111 0.000 0.889 153 L HN 0.317 nan 8.230 nan 0.000 0.432 154 Y N 0.097 120.523 120.300 0.210 0.000 2.145 154 Y HA -0.084 4.466 4.550 0.001 0.000 0.286 154 Y C 2.652 178.717 175.900 0.275 0.000 1.145 154 Y CA 0.868 59.172 58.100 0.339 0.000 1.148 154 Y CB -1.771 36.923 38.460 0.391 0.000 0.981 154 Y HN 0.305 nan 8.280 nan 0.000 0.507 155 A N -0.008 122.981 122.820 0.281 0.000 1.851 155 A HA -0.230 4.090 4.320 0.001 0.000 0.216 155 A C 2.514 180.127 177.584 0.048 0.000 1.195 155 A CA 2.409 54.524 52.037 0.130 0.000 0.622 155 A CB -1.297 17.741 19.000 0.064 0.000 0.831 155 A HN 0.423 nan 8.150 nan 0.000 0.444 156 S N -0.455 115.222 115.700 -0.038 0.000 2.377 156 S HA -0.215 4.256 4.470 0.001 0.000 0.224 156 S C 1.921 176.429 174.600 -0.153 0.000 1.042 156 S CA 1.735 59.775 58.200 -0.267 0.000 1.086 156 S CB -0.876 61.991 63.200 -0.556 0.000 0.995 156 S HN 0.357 nan 8.310 nan 0.000 0.428 157 V N 2.418 122.335 119.914 0.004 0.000 2.278 157 V HA -0.276 3.844 4.120 0.001 0.000 0.251 157 V C 2.573 178.759 176.094 0.153 0.000 1.062 157 V CA 2.282 64.608 62.300 0.043 0.000 1.038 157 V CB -0.774 30.873 31.823 -0.293 0.000 0.646 157 V HN 0.445 nan 8.190 nan 0.000 0.447 158 R N 0.127 120.749 120.500 0.204 0.000 2.103 158 R HA -0.221 4.119 4.340 0.001 0.000 0.242 158 R C 2.051 178.368 176.300 0.029 0.000 1.142 158 R CA 1.911 58.048 56.100 0.062 0.000 0.960 158 R CB -0.268 29.963 30.300 -0.116 0.000 0.858 158 R HN 0.509 nan 8.270 nan 0.000 0.439 159 E N -0.213 120.006 120.200 0.031 0.000 2.478 159 E HA -0.130 4.221 4.350 0.001 0.000 0.198 159 E C 0.474 176.992 176.600 -0.138 0.000 1.046 159 E CA 0.916 57.283 56.400 -0.055 0.000 0.870 159 E CB 0.042 29.682 29.700 -0.100 0.000 0.818 159 E HN 0.604 nan 8.360 nan 0.000 0.527 160 H N -1.209 117.877 119.070 0.027 0.000 2.923 160 H HA 0.304 4.860 4.556 0.001 0.000 0.268 160 H C -0.087 175.369 175.328 0.212 0.000 1.148 160 H CA -0.158 55.987 56.048 0.161 0.000 1.146 160 H CB 0.557 30.494 29.762 0.291 0.000 1.607 160 H HN -0.098 nan 8.280 nan 0.000 0.566 161 L N 1.601 122.943 121.223 0.199 0.000 2.264 161 L HA 0.213 4.554 4.340 0.001 0.000 0.289 161 L C 0.291 177.217 176.870 0.093 0.000 1.044 161 L CA -0.385 54.557 54.840 0.171 0.000 0.807 161 L CB 1.420 43.572 42.059 0.155 0.000 1.192 161 L HN 0.214 nan 8.230 nan 0.000 0.425 162 E N 4.610 124.857 120.200 0.079 0.000 2.422 162 E HA 0.054 4.404 4.350 0.001 0.000 0.260 162 E C -2.193 174.423 176.600 0.026 0.000 1.108 162 E CA -1.299 55.114 56.400 0.021 0.000 0.943 162 E CB 0.399 30.097 29.700 -0.004 0.000 0.961 162 E HN 0.322 nan 8.360 nan 0.000 0.443 163 P HA -0.044 nan 4.420 nan 0.000 0.264 163 P C 0.418 177.729 177.300 0.018 0.000 1.183 163 P CA 1.175 64.280 63.100 0.007 0.000 0.763 163 P CB 0.487 32.183 31.700 -0.006 0.000 0.807 164 G N 1.875 110.692 108.800 0.029 0.000 2.245 164 G HA2 -0.214 3.747 3.960 0.001 0.000 0.264 164 G HA3 -0.214 3.747 3.960 0.001 0.000 0.264 164 G C 0.709 175.642 174.900 0.054 0.000 0.985 164 G CA -0.014 45.107 45.100 0.036 0.000 0.625 164 G HN 0.911 nan 8.290 nan 0.000 0.536 165 G N 0.660 109.499 108.800 0.066 0.000 2.554 165 G HA2 0.454 4.414 3.960 0.001 0.000 0.238 165 G HA3 0.454 4.414 3.960 0.001 0.000 0.238 165 G C 0.332 175.311 174.900 0.130 0.000 1.259 165 G CA 0.465 45.617 45.100 0.086 0.000 0.843 165 G HN 0.720 nan 8.290 nan 0.000 0.582 166 K N 0.576 121.052 120.400 0.128 0.000 2.123 166 K HA 0.461 4.781 4.320 0.001 0.000 0.259 166 K C -1.475 175.283 176.600 0.264 0.000 0.960 166 K CA -0.912 55.482 56.287 0.178 0.000 0.872 166 K CB 2.215 34.789 32.500 0.125 0.000 1.079 166 K HN 0.245 nan 8.250 nan 0.000 0.440 167 F N 2.958 122.954 119.950 0.076 0.000 2.388 167 F HA 0.337 4.864 4.527 0.001 0.000 0.358 167 F C -1.417 174.398 175.800 0.026 0.000 1.122 167 F CA -2.006 56.008 58.000 0.022 0.000 1.056 167 F CB 0.513 39.443 39.000 -0.117 0.000 1.155 167 F HN 0.294 nan 8.300 nan 0.000 0.461 168 L N 6.970 128.367 121.223 0.289 0.000 2.313 168 L HA 0.567 4.907 4.340 0.001 0.000 0.283 168 L C -1.120 175.880 176.870 0.218 0.000 1.013 168 L CA -0.831 54.126 54.840 0.196 0.000 0.816 168 L CB 1.498 43.793 42.059 0.394 0.000 1.236 168 L HN 0.428 nan 8.230 nan 0.000 0.419 169 L N 2.227 123.485 121.223 0.059 0.000 2.410 169 L HA 0.663 5.003 4.340 0.001 0.000 0.270 169 L C 0.117 177.057 176.870 0.116 0.000 0.983 169 L CA -0.338 54.544 54.840 0.071 0.000 0.822 169 L CB 2.181 44.102 42.059 -0.229 0.000 1.285 169 L HN 0.616 nan 8.230 nan 0.000 0.409 170 S N 2.844 118.718 115.700 0.290 0.000 2.578 170 S HA 0.923 5.393 4.470 0.001 0.000 0.283 170 S C -0.598 174.074 174.600 0.120 0.000 1.195 170 S CA -0.699 57.619 58.200 0.197 0.000 1.050 170 S CB 1.177 64.603 63.200 0.377 0.000 1.012 170 S HN 0.512 nan 8.310 nan 0.000 0.511 171 L N 1.709 122.951 121.223 0.030 0.000 2.580 171 L HA 0.556 4.896 4.340 0.001 0.000 0.266 171 L C 0.080 176.910 176.870 -0.067 0.000 0.955 171 L CA -0.873 53.962 54.840 -0.008 0.000 0.886 171 L CB 1.746 43.791 42.059 -0.023 0.000 1.263 171 L HN 0.979 nan 8.230 nan 0.000 0.406 172 A N 4.152 126.942 122.820 -0.049 0.000 2.531 172 A HA 0.441 4.761 4.320 0.001 0.000 0.236 172 A C -0.213 177.325 177.584 -0.078 0.000 1.062 172 A CA 0.276 52.266 52.037 -0.078 0.000 0.760 172 A CB 0.401 19.378 19.000 -0.039 0.000 0.995 172 A HN 0.795 nan 8.150 nan 0.000 0.501 173 M N 3.783 123.323 119.600 -0.100 0.000 2.046 173 M HA 0.339 4.820 4.480 0.001 0.000 0.309 173 M C 0.254 176.516 176.300 -0.064 0.000 0.935 173 M CA -0.336 54.915 55.300 -0.081 0.000 0.915 173 M CB 1.038 33.576 32.600 -0.104 0.000 1.474 173 M HN 0.891 nan 8.290 nan 0.000 0.415 174 S N 2.788 118.461 115.700 -0.044 0.000 2.584 174 S HA 0.159 4.629 4.470 0.001 0.000 0.270 174 S C 0.706 175.286 174.600 -0.033 0.000 1.346 174 S CA -0.263 57.915 58.200 -0.035 0.000 1.018 174 S CB 0.761 63.946 63.200 -0.025 0.000 0.899 174 S HN 0.844 nan 8.310 nan 0.000 0.542 175 E N 1.634 121.817 120.200 -0.029 0.000 2.065 175 E HA -0.261 4.090 4.350 0.001 0.000 0.201 175 E C 2.377 178.966 176.600 -0.018 0.000 1.016 175 E CA 1.548 57.934 56.400 -0.024 0.000 0.818 175 E CB -0.660 29.027 29.700 -0.021 0.000 0.749 175 E HN 0.838 nan 8.360 nan 0.000 0.453 176 A N 1.341 124.153 122.820 -0.014 0.000 1.940 176 A HA -0.125 4.195 4.320 0.001 0.000 0.219 176 A C 2.371 179.952 177.584 -0.005 0.000 1.176 176 A CA 1.839 53.872 52.037 -0.006 0.000 0.631 176 A CB -0.608 18.392 19.000 -0.002 0.000 0.814 176 A HN 0.309 nan 8.150 nan 0.000 0.446 177 A N -0.790 122.024 122.820 -0.011 0.000 2.067 177 A HA -0.028 4.292 4.320 0.001 0.000 0.217 177 A C 1.942 179.515 177.584 -0.018 0.000 1.156 177 A CA 1.410 53.440 52.037 -0.013 0.000 0.683 177 A CB -0.361 18.628 19.000 -0.018 0.000 0.808 177 A HN 0.686 nan 8.150 nan 0.000 0.455 178 E N 0.309 120.495 120.200 -0.023 0.000 2.107 178 E HA -0.028 4.322 4.350 0.001 0.000 0.191 178 E C 0.371 176.961 176.600 -0.016 0.000 0.982 178 E CA 0.459 56.844 56.400 -0.026 0.000 0.809 178 E CB 0.032 29.713 29.700 -0.032 0.000 0.756 178 E HN 0.475 nan 8.360 nan 0.000 0.459 179 S N 1.501 117.195 115.700 -0.011 0.000 2.579 179 S HA 0.024 4.495 4.470 0.001 0.000 0.275 179 S C -0.180 174.420 174.600 -0.000 0.000 1.345 179 S CA -0.351 57.846 58.200 -0.006 0.000 1.031 179 S CB 0.852 64.050 63.200 -0.004 0.000 0.892 179 S HN 0.173 nan 8.310 nan 0.000 0.529 180 E N 3.586 123.787 120.200 0.002 0.000 2.220 180 E HA 0.134 4.485 4.350 0.001 0.000 0.272 180 E C -1.955 174.653 176.600 0.014 0.000 1.099 180 E CA -1.749 54.656 56.400 0.009 0.000 0.907 180 E CB -0.073 29.633 29.700 0.009 0.000 1.022 180 E HN 0.335 nan 8.360 nan 0.000 0.428 181 P HA -0.040 nan 4.420 nan 0.000 0.264 181 P C -0.033 177.284 177.300 0.029 0.000 1.183 181 P CA -0.246 62.872 63.100 0.030 0.000 0.763 181 P CB 0.607 32.337 31.700 0.048 0.000 0.807 182 L N 3.153 124.385 121.223 0.015 0.000 2.455 182 L HA 0.071 4.411 4.340 0.001 0.000 0.272 182 L C 1.326 178.205 176.870 0.015 0.000 1.174 182 L CA 0.645 55.487 54.840 0.004 0.000 0.869 182 L CB -0.666 41.380 42.059 -0.022 0.000 1.130 182 L HN 0.458 nan 8.230 nan 0.000 0.474 183 E N 3.953 124.172 120.200 0.033 0.000 2.318 183 E HA 0.405 4.755 4.350 0.001 0.000 0.265 183 E C -0.111 176.483 176.600 -0.011 0.000 1.069 183 E CA -0.666 55.767 56.400 0.055 0.000 0.893 183 E CB 1.180 30.956 29.700 0.126 0.000 1.076 183 E HN 0.415 nan 8.360 nan 0.000 0.414 184 R N 1.109 121.580 120.500 -0.049 0.000 2.625 184 R HA 0.309 4.649 4.340 0.001 0.000 0.286 184 R C -0.773 175.415 176.300 -0.187 0.000 1.406 184 R CA -0.669 55.373 56.100 -0.096 0.000 1.052 184 R CB 0.758 31.014 30.300 -0.072 0.000 1.203 184 R HN 0.204 nan 8.270 nan 0.000 0.502 185 K N 2.237 122.475 120.400 -0.269 0.000 2.380 185 K HA 0.026 4.346 4.320 0.001 0.000 0.267 185 K C -0.464 176.040 176.600 -0.160 0.000 0.990 185 K CA 0.295 56.376 56.287 -0.344 0.000 0.946 185 K CB 0.985 33.321 32.500 -0.274 0.000 0.937 185 K HN 0.595 nan 8.250 nan 0.000 0.491 186 Q N 0.555 120.286 119.800 -0.116 0.000 2.605 186 Q HA 0.148 4.489 4.340 0.001 0.000 0.296 186 Q C -1.531 174.464 176.000 -0.009 0.000 1.056 186 Q CA -0.746 55.029 55.803 -0.047 0.000 0.778 186 Q CB 1.654 30.374 28.738 -0.030 0.000 1.497 186 Q HN 0.533 nan 8.270 nan 0.000 0.443 187 E N 0.749 120.953 120.200 0.007 0.000 3.108 187 E HA 0.385 4.735 4.350 0.001 0.000 0.228 187 E C -1.356 175.269 176.600 0.041 0.000 1.176 187 E CA -0.305 56.112 56.400 0.028 0.000 0.881 187 E CB 0.315 30.025 29.700 0.016 0.000 1.354 187 E HN 0.449 nan 8.360 nan 0.000 0.400 188 L N 1.583 122.846 121.223 0.065 0.000 2.301 188 L HA 0.613 4.953 4.340 0.001 0.000 0.278 188 L C -2.386 174.560 176.870 0.126 0.000 1.022 188 L CA -1.870 53.008 54.840 0.063 0.000 0.854 188 L CB 0.432 42.506 42.059 0.026 0.000 1.226 188 L HN 0.132 nan 8.230 nan 0.000 0.429 189 P HA 0.526 nan 4.420 nan 0.000 0.274 189 P C 0.810 178.203 177.300 0.156 0.000 1.237 189 P CA 0.322 63.525 63.100 0.171 0.000 0.793 189 P CB 1.025 32.781 31.700 0.094 0.000 0.977 190 G N 0.597 109.536 108.800 0.232 0.000 2.531 190 G HA2 0.449 4.409 3.960 0.001 0.000 0.253 190 G HA3 0.449 4.409 3.960 0.001 0.000 0.253 190 G C -0.304 174.646 174.900 0.083 0.000 1.439 190 G CA -0.666 44.516 45.100 0.136 0.000 1.056 190 G HN 0.660 nan 8.290 nan 0.000 0.555 197 V N 3.048 123.088 119.914 0.210 0.000 2.444 197 V HA 0.535 4.655 4.120 0.001 0.000 0.294 197 V C -0.904 175.275 176.094 0.141 0.000 1.022 197 V CA -0.692 61.686 62.300 0.131 0.000 0.850 197 V CB 1.764 33.658 31.823 0.119 0.000 0.992 197 V HN 0.600 nan 8.190 nan 0.000 0.426 198 L N 4.510 125.772 121.223 0.065 0.000 2.296 198 L HA 0.685 5.026 4.340 0.001 0.000 0.286 198 L C -0.764 176.100 176.870 -0.011 0.000 1.023 198 L CA -0.215 54.659 54.840 0.057 0.000 0.812 198 L CB 1.182 43.256 42.059 0.025 0.000 1.223 198 L HN 0.685 nan 8.230 nan 0.000 0.421 199 H N 3.586 122.678 119.070 0.036 0.000 2.581 199 H HA 0.500 5.056 4.556 0.001 0.000 0.308 199 H C -0.786 174.566 175.328 0.040 0.000 1.040 199 H CA -0.185 55.884 56.048 0.034 0.000 1.231 199 H CB 1.477 31.258 29.762 0.031 0.000 1.396 199 H HN 0.438 nan 8.280 nan 0.000 0.467 200 V N 4.977 124.949 119.914 0.097 0.000 2.472 200 V HA 0.509 4.630 4.120 0.001 0.000 0.290 200 V C 0.168 176.352 176.094 0.150 0.000 1.037 200 V CA -0.737 61.636 62.300 0.122 0.000 0.908 200 V CB 1.534 33.425 31.823 0.114 0.000 0.985 200 V HN 0.736 nan 8.190 nan 0.000 0.454 201 R N 2.007 122.614 120.500 0.180 0.000 2.628 201 R HA 0.500 4.840 4.340 0.001 0.000 0.288 201 R C -0.910 175.559 176.300 0.282 0.000 0.980 201 R CA -0.668 55.545 56.100 0.188 0.000 0.891 201 R CB 1.950 32.322 30.300 0.119 0.000 1.188 201 R HN 0.790 nan 8.270 nan 0.000 0.450 202 H N 3.867 122.947 119.070 0.017 0.000 2.685 202 H HA 0.226 4.783 4.556 0.001 0.000 0.286 202 H C -0.230 175.104 175.328 0.010 0.000 1.102 202 H CA -0.528 55.527 56.048 0.011 0.000 1.254 202 H CB 0.890 30.656 29.762 0.007 0.000 1.397 202 H HN 0.151 nan 8.280 nan 0.000 0.473 203 L N 5.562 126.833 121.223 0.080 0.000 2.349 203 L HA 0.236 4.576 4.340 0.001 0.000 0.275 203 L C -1.710 175.181 176.870 0.034 0.000 1.115 203 L CA -2.025 52.843 54.840 0.046 0.000 0.820 203 L CB 0.389 42.461 42.059 0.022 0.000 1.135 203 L HN 0.417 nan 8.230 nan 0.000 0.445 204 P HA 0.222 nan 4.420 nan 0.000 0.276 204 P C -0.222 177.085 177.300 0.011 0.000 1.230 204 P CA -0.312 62.800 63.100 0.021 0.000 0.776 204 P CB 1.758 33.467 31.700 0.015 0.000 0.888 205 A N 2.248 125.073 122.820 0.009 0.000 1.997 205 A HA 0.210 4.530 4.320 0.001 0.000 0.198 205 A C 0.464 178.054 177.584 0.009 0.000 1.449 205 A CA 0.406 52.448 52.037 0.008 0.000 0.908 205 A CB 0.072 19.076 19.000 0.007 0.000 0.984 205 A HN 0.609 nan 8.150 nan 0.000 0.487 206 E N 0.124 120.329 120.200 0.007 0.000 2.343 206 E HA 0.434 4.785 4.350 0.001 0.000 0.286 206 E C -1.505 175.096 176.600 0.002 0.000 0.915 206 E CA -0.318 56.085 56.400 0.006 0.000 0.784 206 E CB 1.321 31.025 29.700 0.008 0.000 1.251 206 E HN 0.412 nan 8.360 nan 0.000 0.407 207 E N 2.764 122.962 120.200 -0.002 0.000 2.390 207 E HA 0.550 4.900 4.350 0.001 0.000 0.249 207 E C -0.535 176.057 176.600 -0.013 0.000 0.981 207 E CA -0.985 55.412 56.400 -0.006 0.000 0.860 207 E CB 1.784 31.479 29.700 -0.007 0.000 1.278 207 E HN 0.395 nan 8.360 nan 0.000 0.416 208 I N 1.780 122.340 120.570 -0.017 0.000 2.382 208 I HA 0.135 4.305 4.170 0.001 0.000 0.285 208 I C -0.385 175.713 176.117 -0.033 0.000 1.007 208 I CA -0.503 60.779 61.300 -0.030 0.000 1.142 208 I CB 1.463 39.445 38.000 -0.030 0.000 1.289 208 I HN 0.372 nan 8.210 nan 0.000 0.453 209 Q N 7.143 126.920 119.800 -0.039 0.000 2.293 209 Q HA 0.166 4.506 4.340 0.001 0.000 0.263 209 Q C -0.547 175.423 176.000 -0.050 0.000 1.002 209 Q CA 0.013 55.794 55.803 -0.037 0.000 0.910 209 Q CB 1.063 29.784 28.738 -0.029 0.000 1.185 209 Q HN 0.612 nan 8.270 nan 0.000 0.401 210 E N 4.875 125.053 120.200 -0.036 0.000 2.176 210 E HA 0.390 4.740 4.350 0.001 0.000 0.267 210 E C -1.231 175.355 176.600 -0.024 0.000 0.893 210 E CA -0.991 55.392 56.400 -0.029 0.000 0.761 210 E CB 0.887 30.577 29.700 -0.016 0.000 1.133 210 E HN 0.680 nan 8.360 nan 0.000 0.409 211 I N 0.705 121.265 120.570 -0.017 0.000 2.693 211 I HA 0.598 4.769 4.170 0.001 0.000 0.303 211 I C -0.815 175.277 176.117 -0.042 0.000 1.025 211 I CA -0.363 60.906 61.300 -0.052 0.000 1.086 211 I CB 2.374 40.306 38.000 -0.113 0.000 1.268 211 I HN 0.225 nan 8.210 nan 0.000 0.440 212 T N 6.182 120.703 114.554 -0.055 0.000 2.937 212 T HA 0.675 5.025 4.350 0.001 0.000 0.297 212 T C -0.518 174.177 174.700 -0.008 0.000 0.991 212 T CA -0.142 61.954 62.100 -0.006 0.000 0.990 212 T CB 0.797 69.706 68.868 0.068 0.000 0.991 212 T HN 0.511 nan 8.240 nan 0.000 0.440 213 I N 4.096 124.640 120.570 -0.043 0.000 2.465 213 I HA 0.588 4.758 4.170 0.001 0.000 0.291 213 I C -0.328 175.802 176.117 0.023 0.000 1.014 213 I CA -0.898 60.363 61.300 -0.064 0.000 1.093 213 I CB 1.715 39.575 38.000 -0.232 0.000 1.267 213 I HN 0.845 nan 8.210 nan 0.000 0.431 214 H N 4.193 123.192 119.070 -0.119 0.000 3.012 214 H HA 0.650 5.206 4.556 0.001 0.000 0.367 214 H C -3.001 172.268 175.328 -0.099 0.000 1.211 214 H CA -2.179 53.724 56.048 -0.242 0.000 1.139 214 H CB 0.915 30.522 29.762 -0.259 0.000 1.838 214 H HN 0.209 nan 8.280 nan 0.000 0.550 215 P HA 0.124 nan 4.420 nan 0.000 0.268 215 P C 0.432 177.823 177.300 0.152 0.000 1.208 215 P CA 0.135 63.268 63.100 0.055 0.000 0.777 215 P CB 0.740 32.584 31.700 0.239 0.000 0.875 216 A N 1.598 124.446 122.820 0.048 0.000 2.168 216 A HA -0.088 4.232 4.320 0.001 0.000 0.215 216 A C 1.016 178.672 177.584 0.120 0.000 1.152 216 A CA 1.226 53.291 52.037 0.046 0.000 0.716 216 A CB -0.651 18.349 19.000 -0.000 0.000 0.794 216 A HN 0.508 nan 8.150 nan 0.000 0.465 217 D N -1.500 118.992 120.400 0.153 0.000 2.173 217 D HA 0.205 4.845 4.640 0.001 0.000 0.296 217 D C 1.343 177.599 176.300 -0.073 0.000 1.140 217 D CA 0.531 54.567 54.000 0.060 0.000 0.952 217 D CB 0.066 40.894 40.800 0.047 0.000 1.021 217 D HN 0.317 nan 8.370 nan 0.000 0.344 218 E N -1.896 118.144 120.200 -0.266 0.000 1.237 218 E HA -0.085 4.265 4.350 0.001 0.000 0.205 218 E C 1.237 177.582 176.600 -0.425 0.000 0.979 218 E CA 0.605 56.616 56.400 -0.649 0.000 0.945 218 E CB -0.421 29.047 29.700 -0.388 0.000 4.739 218 E HN 0.358 nan 8.360 nan 0.000 0.646 219 T N -0.755 113.687 114.554 -0.186 0.000 2.504 219 T HA -0.062 4.288 4.350 0.001 0.000 0.243 219 T C 1.524 176.214 174.700 -0.017 0.000 1.206 219 T CA 2.401 64.451 62.100 -0.085 0.000 1.356 219 T CB -0.976 67.870 68.868 -0.038 0.000 0.910 219 T HN 0.183 nan 8.240 nan 0.000 0.393 220 T N 0.371 114.953 114.554 0.047 0.000 12.818 220 T HA -0.331 4.019 4.350 0.001 0.000 0.419 220 T C 0.383 175.144 174.700 0.102 0.000 1.441 220 T CA 2.156 64.327 62.100 0.119 0.000 2.373 220 T CB -2.367 66.667 68.868 0.276 0.000 2.831 220 T HN 1.106 nan 8.240 nan 0.000 0.727 221 D N 2.845 123.322 120.400 0.129 0.000 4.733 221 D HA -0.065 4.575 4.640 0.001 0.000 0.239 221 D C -2.396 173.952 176.300 0.080 0.000 1.075 221 D CA 0.514 54.572 54.000 0.096 0.000 1.258 221 D CB 0.062 40.893 40.800 0.052 0.000 0.761 221 D HN 0.477 nan 8.370 nan 0.000 0.378 222 P HA 0.372 nan 4.420 nan 0.000 0.276 222 P C -0.487 176.929 177.300 0.194 0.000 1.252 222 P CA -0.582 62.586 63.100 0.112 0.000 0.802 222 P CB 0.330 32.073 31.700 0.071 0.000 1.035 223 F N 2.147 122.113 119.950 0.026 0.000 2.303 223 F HA 0.274 4.801 4.527 0.000 0.000 0.368 223 F C -0.168 175.659 175.800 0.045 0.000 1.105 223 F CA -0.990 57.034 58.000 0.040 0.000 1.153 223 F CB 0.013 39.035 39.000 0.037 0.000 1.362 223 F HN 0.008 nan 8.300 nan 0.000 0.511 224 V N 4.510 124.306 119.914 -0.197 0.000 2.432 224 V HA 0.543 4.664 4.120 0.001 0.000 0.271 224 V C -0.342 175.576 176.094 -0.293 0.000 1.046 224 V CA -0.798 61.400 62.300 -0.169 0.000 0.945 224 V CB 0.750 32.529 31.823 -0.073 0.000 0.992 224 V HN 0.334 nan 8.190 nan 0.000 0.471 225 V N 4.360 124.167 119.914 -0.178 0.000 2.350 225 V HA 0.316 4.436 4.120 0.001 0.000 0.276 225 V C 0.204 176.285 176.094 -0.022 0.000 1.028 225 V CA -0.291 61.934 62.300 -0.125 0.000 0.860 225 V CB 1.065 32.843 31.823 -0.076 0.000 0.990 225 V HN 1.064 nan 8.190 nan 0.000 0.453 226 C N 4.740 124.044 119.300 0.005 0.000 2.255 226 C HA 0.697 5.158 4.460 0.001 0.000 0.326 226 C C 0.847 175.867 174.990 0.051 0.000 1.258 226 C CA -0.469 58.593 59.018 0.073 0.000 1.676 226 C CB 0.285 28.116 27.740 0.152 0.000 2.314 226 C HN 0.984 nan 8.230 nan 0.000 0.509 227 T N 0.503 115.122 114.554 0.108 0.000 2.856 227 T HA 0.684 5.034 4.350 0.001 0.000 0.283 227 T C -1.059 173.792 174.700 0.252 0.000 1.008 227 T CA -0.418 61.755 62.100 0.121 0.000 0.997 227 T CB 1.759 70.689 68.868 0.102 0.000 0.992 227 T HN 0.746 nan 8.240 nan 0.000 0.454 228 H N 0.537 119.659 119.070 0.088 0.000 2.974 228 H HA 0.555 5.111 4.556 0.000 0.000 0.366 228 H C -1.146 174.233 175.328 0.085 0.000 1.155 228 H CA -0.879 55.255 56.048 0.144 0.000 1.186 228 H CB 1.710 31.636 29.762 0.273 0.000 1.799 228 H HN 0.676 nan 8.280 nan 0.000 0.541 229 R N 3.458 123.775 120.500 -0.306 0.000 2.534 229 R HA 0.564 4.904 4.340 0.001 0.000 0.301 229 R C -0.480 175.527 176.300 -0.489 0.000 0.961 229 R CA -0.966 54.966 56.100 -0.281 0.000 0.871 229 R CB 2.299 32.531 30.300 -0.114 0.000 1.170 229 R HN 0.787 nan 8.270 nan 0.000 0.446 230 R N 0.839 121.152 120.500 -0.311 0.000 2.836 230 R HA 0.453 4.793 4.340 0.001 0.000 0.269 230 R C -0.770 175.472 176.300 -0.097 0.000 1.010 230 R CA -1.149 54.821 56.100 -0.217 0.000 0.930 230 R CB 1.649 31.841 30.300 -0.181 0.000 1.218 230 R HN 0.414 nan 8.270 nan 0.000 0.473 231 R N 1.226 121.690 120.500 -0.060 0.000 2.590 231 R HA 0.186 4.527 4.340 0.001 0.000 0.274 231 R C -1.063 175.227 176.300 -0.018 0.000 1.061 231 R CA -0.231 55.850 56.100 -0.030 0.000 1.081 231 R CB 0.482 30.772 30.300 -0.016 0.000 0.984 231 R HN 0.597 nan 8.270 nan 0.000 0.448 232 L N 6.078 127.294 121.223 -0.012 0.000 2.529 232 L HA 0.339 4.679 4.340 0.001 0.000 0.260 232 L C -1.549 175.320 176.870 -0.002 0.000 0.997 232 L CA -0.255 54.581 54.840 -0.006 0.000 0.885 232 L CB 1.383 43.434 42.059 -0.013 0.000 1.185 232 L HN 0.609 nan 8.230 nan 0.000 0.442 233 L N 4.019 125.245 121.223 0.006 0.000 2.380 233 L HA 0.590 4.930 4.340 0.001 0.000 0.273 233 L C 0.939 177.811 176.870 0.002 0.000 1.138 233 L CA -0.227 54.619 54.840 0.010 0.000 0.832 233 L CB 1.179 43.253 42.059 0.025 0.000 1.124 233 L HN 0.745 nan 8.230 nan 0.000 0.454 234 A N 5.031 127.852 122.820 0.001 0.000 2.522 234 A HA 0.240 4.561 4.320 0.001 0.000 0.256 234 A C -1.498 176.082 177.584 -0.008 0.000 1.086 234 A CA -1.012 51.022 52.037 -0.006 0.000 0.763 234 A CB -0.097 18.902 19.000 -0.001 0.000 1.024 234 A HN 0.621 nan 8.150 nan 0.000 0.502 235 P HA -0.227 nan 4.420 nan 0.000 0.217 235 P C 0.700 177.985 177.300 -0.026 0.000 1.162 235 P CA 1.800 64.883 63.100 -0.028 0.000 0.901 235 P CB 0.147 31.823 31.700 -0.040 0.000 0.793 236 D N -1.317 119.071 120.400 -0.020 0.000 2.149 236 D HA -0.194 4.447 4.640 0.001 0.000 0.198 236 D C 2.013 178.306 176.300 -0.012 0.000 0.990 236 D CA 1.161 55.152 54.000 -0.016 0.000 0.839 236 D CB -0.665 40.129 40.800 -0.009 0.000 0.948 236 D HN 0.177 nan 8.370 nan 0.000 0.460 237 Q N 0.908 120.706 119.800 -0.003 0.000 2.002 237 Q HA -0.114 4.227 4.340 0.001 0.000 0.204 237 Q C 2.133 178.139 176.000 0.010 0.000 0.988 237 Q CA 1.342 57.150 55.803 0.008 0.000 0.843 237 Q CB -0.668 28.080 28.738 0.016 0.000 0.908 237 Q HN 0.138 nan 8.270 nan 0.000 0.420 238 V N -0.153 119.766 119.914 0.008 0.000 2.252 238 V HA -0.297 3.824 4.120 0.001 0.000 0.249 238 V C 2.434 178.491 176.094 -0.062 0.000 1.056 238 V CA 1.807 64.111 62.300 0.007 0.000 1.022 238 V CB -0.824 31.001 31.823 0.005 0.000 0.641 238 V HN 0.308 nan 8.190 nan 0.000 0.445 239 V N 0.027 119.901 119.914 -0.066 0.000 2.278 239 V HA -0.363 3.757 4.120 0.001 0.000 0.251 239 V C 2.585 178.640 176.094 -0.065 0.000 1.062 239 V CA 2.541 64.793 62.300 -0.080 0.000 1.038 239 V CB -0.882 30.908 31.823 -0.054 0.000 0.646 239 V HN 0.524 nan 8.190 nan 0.000 0.447 240 R N -0.193 120.286 120.500 -0.036 0.000 2.082 240 R HA -0.219 4.122 4.340 0.001 0.000 0.234 240 R C 2.314 178.597 176.300 -0.028 0.000 1.136 240 R CA 1.985 58.073 56.100 -0.019 0.000 0.935 240 R CB -0.544 29.755 30.300 -0.002 0.000 0.842 240 R HN 0.610 nan 8.270 nan 0.000 0.430 241 E N 0.882 121.066 120.200 -0.027 0.000 2.086 241 E HA -0.253 4.098 4.350 0.001 0.000 0.205 241 E C 2.140 178.614 176.600 -0.209 0.000 1.027 241 E CA 1.594 57.974 56.400 -0.033 0.000 0.830 241 E CB -0.291 29.459 29.700 0.083 0.000 0.751 241 E HN 0.278 nan 8.360 nan 0.000 0.456 242 L N 0.370 121.395 121.223 -0.331 0.000 1.990 242 L HA -0.247 4.093 4.340 0.001 0.000 0.213 242 L C 2.540 179.401 176.870 -0.015 0.000 1.072 242 L CA 1.061 55.709 54.840 -0.319 0.000 0.755 242 L CB -0.612 41.260 42.059 -0.312 0.000 0.889 242 L HN 0.088 nan 8.230 nan 0.000 0.432 243 V N -0.225 119.684 119.914 -0.009 0.000 2.233 243 V HA -0.340 3.781 4.120 0.001 0.000 0.247 243 V C 2.601 178.714 176.094 0.032 0.000 1.050 243 V CA 2.126 64.445 62.300 0.032 0.000 1.010 243 V CB -0.761 31.070 31.823 0.013 0.000 0.637 243 V HN 0.486 nan 8.190 nan 0.000 0.444 244 R N 0.553 121.064 120.500 0.018 0.000 2.226 244 R HA -0.184 4.157 4.340 0.001 0.000 0.246 244 R C 1.998 178.329 176.300 0.051 0.000 1.161 244 R CA 1.773 57.892 56.100 0.032 0.000 0.997 244 R CB -0.198 30.125 30.300 0.038 0.000 0.870 244 R HN 0.661 nan 8.270 nan 0.000 0.465 245 S N -2.300 113.438 115.700 0.063 0.000 2.554 245 S HA 0.236 4.706 4.470 0.001 0.000 0.226 245 S C 0.930 175.565 174.600 0.059 0.000 0.980 245 S CA 0.253 58.518 58.200 0.108 0.000 0.939 245 S CB 1.125 64.447 63.200 0.204 0.000 0.832 245 S HN 0.528 nan 8.310 nan 0.000 0.486 246 G N 0.285 109.099 108.800 0.023 0.000 2.201 246 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 246 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 246 G C -0.130 174.696 174.900 -0.124 0.000 0.994 246 G CA -0.317 44.742 45.100 -0.068 0.000 0.644 246 G HN 0.458 nan 8.290 nan 0.000 0.508 247 F N 1.982 121.937 119.950 0.009 0.000 2.410 247 F HA 0.522 5.049 4.527 0.001 0.000 0.334 247 F C 0.543 176.344 175.800 0.003 0.000 1.134 247 F CA -0.192 57.822 58.000 0.023 0.000 1.227 247 F CB 0.698 39.721 39.000 0.039 0.000 1.194 247 F HN -0.101 nan 8.300 nan 0.000 0.571 248 D N 1.227 121.753 120.400 0.209 0.000 2.193 248 D HA 0.293 4.934 4.640 0.001 0.000 0.244 248 D C -0.735 175.632 176.300 0.112 0.000 1.064 248 D CA -0.238 53.833 54.000 0.119 0.000 0.845 248 D CB 2.122 42.967 40.800 0.075 0.000 1.148 248 D HN 0.061 nan 8.370 nan 0.000 0.464 249 V N 4.152 124.099 119.914 0.056 0.000 2.339 249 V HA 0.086 4.206 4.120 0.001 0.000 0.261 249 V C 1.716 177.820 176.094 0.017 0.000 1.058 249 V CA -0.313 61.998 62.300 0.018 0.000 0.897 249 V CB 0.295 32.106 31.823 -0.019 0.000 1.052 249 V HN 0.495 nan 8.190 nan 0.000 0.480 250 I N 1.904 122.489 120.570 0.025 0.000 2.876 250 I HA 0.493 4.663 4.170 0.001 0.000 0.264 250 I C 0.820 176.944 176.117 0.012 0.000 1.204 250 I CA 0.660 61.974 61.300 0.023 0.000 1.485 250 I CB 0.201 38.221 38.000 0.035 0.000 1.103 250 I HN 0.526 nan 8.210 nan 0.000 0.446 251 A N 0.958 123.780 122.820 0.003 0.000 2.594 251 A HA 0.726 5.046 4.320 0.001 0.000 0.295 251 A C -1.322 176.254 177.584 -0.013 0.000 1.071 251 A CA -0.571 51.465 52.037 -0.002 0.000 0.685 251 A CB 1.522 20.523 19.000 0.001 0.000 1.285 251 A HN 0.346 nan 8.150 nan 0.000 0.405 252 Q N 0.712 120.507 119.800 -0.010 0.000 2.274 252 Q HA 0.599 4.940 4.340 0.001 0.000 0.268 252 Q C -1.507 174.495 176.000 0.003 0.000 1.015 252 Q CA -0.568 55.228 55.803 -0.012 0.000 0.775 252 Q CB 2.569 31.296 28.738 -0.018 0.000 1.256 252 Q HN 0.644 nan 8.270 nan 0.000 0.442 253 T N 2.493 117.059 114.554 0.021 0.000 2.890 253 T HA 0.409 4.759 4.350 0.001 0.000 0.295 253 T C -2.673 172.085 174.700 0.098 0.000 0.993 253 T CA -1.656 60.474 62.100 0.050 0.000 0.979 253 T CB 1.411 70.309 68.868 0.050 0.000 0.967 253 T HN 0.209 nan 8.240 nan 0.000 0.441 254 P HA 0.409 nan 4.420 nan 0.000 0.268 254 P C -0.878 176.507 177.300 0.141 0.000 1.204 254 P CA -0.294 62.817 63.100 0.019 0.000 0.768 254 P CB 0.146 31.842 31.700 -0.006 0.000 0.842 255 F N -0.053 119.873 119.950 -0.041 0.000 2.662 255 F HA 0.806 5.333 4.527 0.001 0.000 0.312 255 F C -1.233 174.552 175.800 -0.025 0.000 1.113 255 F CA -1.909 56.070 58.000 -0.034 0.000 0.951 255 F CB 0.792 39.765 39.000 -0.046 0.000 1.344 255 F HN 0.284 nan 8.300 nan 0.000 0.462 256 A N 1.224 124.130 122.820 0.142 0.000 2.366 256 A HA 0.507 4.827 4.320 0.001 0.000 0.272 256 A C 0.884 178.587 177.584 0.198 0.000 1.135 256 A CA 0.057 52.126 52.037 0.053 0.000 0.804 256 A CB 0.240 19.277 19.000 0.061 0.000 1.064 256 A HN 1.082 nan 8.150 nan 0.000 0.499 257 S N 2.610 118.346 115.700 0.059 0.000 2.368 257 S HA -0.029 4.441 4.470 0.001 0.000 0.224 257 S C 1.270 175.965 174.600 0.158 0.000 1.029 257 S CA 0.964 59.272 58.200 0.180 0.000 0.988 257 S CB -0.383 62.858 63.200 0.069 0.000 0.838 257 S HN 1.247 nan 8.310 nan 0.000 0.462 258 G N 0.193 109.046 108.800 0.087 0.000 3.506 258 G HA2 0.483 4.443 3.960 0.001 0.000 0.268 258 G HA3 0.483 4.443 3.960 0.001 0.000 0.268 258 G C 1.074 176.011 174.900 0.062 0.000 0.959 258 G CA -0.123 45.016 45.100 0.064 0.000 1.823 258 G HN 0.812 nan 8.290 nan 0.000 0.615 259 G N 0.450 109.299 108.800 0.083 0.000 2.916 259 G HA2 -0.051 3.909 3.960 0.001 0.000 0.234 259 G HA3 -0.051 3.909 3.960 0.001 0.000 0.234 259 G C 0.770 175.704 174.900 0.056 0.000 1.147 259 G CA 1.195 46.332 45.100 0.063 0.000 0.788 259 G HN 1.846 nan 8.290 nan 0.000 0.536 260 A N -1.987 120.859 122.820 0.043 0.000 2.552 260 A HA 1.065 5.385 4.320 0.001 0.000 0.288 260 A C 0.893 178.491 177.584 0.023 0.000 1.193 260 A CA 1.003 53.060 52.037 0.032 0.000 0.713 260 A CB 0.919 19.931 19.000 0.021 0.000 1.305 260 A HN 2.508 nan 8.150 nan 0.000 0.424 261 G N -0.590 108.219 108.800 0.014 0.000 2.466 261 G HA2 0.163 4.123 3.960 0.001 0.000 0.316 261 G HA3 0.163 4.123 3.960 0.001 0.000 0.316 261 G C -0.158 174.742 174.900 -0.001 0.000 1.270 261 G CA -0.139 44.963 45.100 0.004 0.000 0.982 261 G HN 1.054 nan 8.290 nan 0.000 0.506 262 R N 0.717 121.210 120.500 -0.011 0.000 2.585 262 R HA 0.187 4.528 4.340 0.001 0.000 0.275 262 R C 0.276 176.557 176.300 -0.031 0.000 1.018 262 R CA 0.397 56.485 56.100 -0.020 0.000 1.072 262 R CB 0.076 30.360 30.300 -0.027 0.000 0.953 262 R HN 0.452 nan 8.270 nan 0.000 0.419 263 K N 3.110 123.487 120.400 -0.038 0.000 2.349 263 K HA -0.002 4.318 4.320 0.001 0.000 0.288 263 K C -0.167 176.365 176.600 -0.114 0.000 1.058 263 K CA 0.031 56.278 56.287 -0.068 0.000 0.953 263 K CB 0.620 33.092 32.500 -0.047 0.000 0.997 263 K HN 0.568 nan 8.250 nan 0.000 0.477 264 D N 3.900 124.194 120.400 -0.178 0.000 2.623 264 D HA 0.155 4.795 4.640 0.001 0.000 0.252 264 D C -0.175 175.959 176.300 -0.276 0.000 1.294 264 D CA -0.234 53.661 54.000 -0.176 0.000 0.824 264 D CB 0.214 40.942 40.800 -0.120 0.000 1.070 264 D HN 0.344 nan 8.370 nan 0.000 0.487 265 M N 0.052 119.399 119.600 -0.422 0.000 2.605 265 M HA 0.343 4.823 4.480 0.001 0.000 0.281 265 M C -2.246 173.716 176.300 -0.564 0.000 1.166 265 M CA -0.619 54.319 55.300 -0.604 0.000 0.875 265 M CB 2.727 34.671 32.600 -1.092 0.000 1.732 265 M HN -0.196 nan 8.290 nan 0.000 0.504 266 V N 3.485 123.210 119.914 -0.316 0.000 2.656 266 V HA 0.577 4.698 4.120 0.001 0.000 0.307 266 V C -1.240 174.873 176.094 0.033 0.000 1.051 266 V CA -0.832 61.404 62.300 -0.106 0.000 0.893 266 V CB 2.019 33.798 31.823 -0.072 0.000 0.999 266 V HN 0.645 nan 8.190 nan 0.000 0.426 267 L N 5.520 126.819 121.223 0.127 0.000 2.280 267 L HA 0.636 4.976 4.340 0.001 0.000 0.287 267 L C -0.658 176.196 176.870 -0.026 0.000 1.023 267 L CA -0.097 54.772 54.840 0.048 0.000 0.819 267 L CB 1.618 43.672 42.059 -0.008 0.000 1.212 267 L HN 0.508 nan 8.230 nan 0.000 0.420 268 V N 5.128 125.003 119.914 -0.064 0.000 2.459 268 V HA 0.439 4.559 4.120 0.001 0.000 0.295 268 V C -0.154 175.883 176.094 -0.095 0.000 1.029 268 V CA -0.816 61.433 62.300 -0.084 0.000 0.874 268 V CB 2.073 33.820 31.823 -0.126 0.000 0.985 268 V HN 0.684 nan 8.190 nan 0.000 0.438 269 E N 2.911 123.075 120.200 -0.061 0.000 2.171 269 E HA 0.770 5.120 4.350 0.001 0.000 0.271 269 E C -0.523 176.065 176.600 -0.020 0.000 0.916 269 E CA -0.524 55.860 56.400 -0.027 0.000 0.774 269 E CB 2.210 31.917 29.700 0.011 0.000 1.128 269 E HN 0.836 nan 8.360 nan 0.000 0.403 270 A N 2.301 125.124 122.820 0.006 0.000 2.414 270 A HA 0.731 5.051 4.320 0.001 0.000 0.306 270 A C -0.618 177.118 177.584 0.254 0.000 1.054 270 A CA -0.703 51.382 52.037 0.080 0.000 0.724 270 A CB 1.226 20.159 19.000 -0.110 0.000 1.267 270 A HN 0.423 nan 8.150 nan 0.000 0.418 271 V N -0.640 119.459 119.914 0.307 0.000 3.102 271 V HA 0.766 4.887 4.120 0.001 0.000 0.312 271 V C -0.440 175.819 176.094 0.276 0.000 1.135 271 V CA -1.269 61.204 62.300 0.288 0.000 1.022 271 V CB 1.941 33.855 31.823 0.153 0.000 1.056 271 V HN 0.774 nan 8.190 nan 0.000 0.436 272 M N 3.727 123.408 119.600 0.136 0.000 2.180 272 M HA 0.502 4.983 4.480 0.001 0.000 0.358 272 M C -1.824 174.478 176.300 0.003 0.000 1.233 272 M CA -2.124 53.164 55.300 -0.020 0.000 1.114 272 M CB 0.261 32.809 32.600 -0.086 0.000 1.594 272 M HN 0.759 nan 8.290 nan 0.000 0.467 273 P HA 0.000 nan 4.420 nan 0.000 0.216 273 P CA 0.000 63.102 63.100 0.003 0.000 0.800 273 P CB 0.000 31.696 31.700 -0.007 0.000 0.726