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 2zrv_1_A DATA FIRST_RESID 7 DATA SEQUENCE RKVEHVEIAA FENVDGLSSS TFLNDVILVH QGFPGISFSE INTKTKFFRK DATA SEQUENCE EISVPVMVTG MTGGRNELGR INKIIAEVAE KFGIPMGVGS QRVAIEKAEA DATA SEQUENCE RESFAIVRKV APTIPIIANL GMPQLVKGYG LKEFQDAIQM IEADAIAVHL DATA SEQUENCE NPAQEVFQPE GEPEYQIYAL EKLRDISKEL SVPIIVKESG NGISMETAKL DATA SEQUENCE LYSYGIKNFD TSGQGGTNWI AIEMIRDIRR GNWKAESAKN FLDWGVPTAA DATA SEQUENCE SIMEVRYSVP DSFLVGSGGI RSGLDAAKAI ALGADIAGMA LPVLKSAIEG DATA SEQUENCE KESLEQFFRK IIFELKAAMM LTGSKDVDAL KKTSIVILGK LKEWAEYRGI DATA SEQUENCE NLSIYEKVRK R 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.183 176.300 -0.195 0.000 0.893 7 R CA 0.000 56.002 56.100 -0.163 0.000 0.921 7 R CB 0.000 30.223 30.300 -0.129 0.000 0.687 8 K N 0.877 121.257 120.400 -0.034 0.000 2.074 8 K HA -0.039 4.280 4.320 -0.001 0.000 0.209 8 K C 1.726 178.361 176.600 0.058 0.000 1.048 8 K CA 2.046 58.374 56.287 0.067 0.000 0.926 8 K CB -0.062 32.481 32.500 0.072 0.000 0.713 8 K HN 0.123 nan 8.250 nan 0.000 0.444 9 V N 0.469 120.393 119.914 0.017 0.000 2.323 9 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 9 V C 2.200 178.308 176.094 0.022 0.000 1.041 9 V CA 1.849 64.163 62.300 0.023 0.000 1.025 9 V CB -0.416 31.417 31.823 0.017 0.000 0.656 9 V HN 0.408 nan 8.190 nan 0.000 0.451 10 E N -0.232 119.955 120.200 -0.022 0.000 2.070 10 E HA -0.285 4.064 4.350 -0.001 0.000 0.197 10 E C 2.153 178.769 176.600 0.026 0.000 1.004 10 E CA 2.003 58.387 56.400 -0.028 0.000 0.805 10 E CB -0.195 29.453 29.700 -0.087 0.000 0.744 10 E HN 0.772 nan 8.360 nan 0.000 0.451 11 H N -0.899 118.209 119.070 0.063 0.000 2.319 11 H HA -0.137 4.419 4.556 -0.001 0.000 0.299 11 H C 2.274 177.596 175.328 -0.011 0.000 1.092 11 H CA 1.349 57.444 56.048 0.077 0.000 1.302 11 H CB 0.142 30.069 29.762 0.274 0.000 1.373 11 H HN 0.053 nan 8.280 nan 0.000 0.497 12 V N 0.985 120.975 119.914 0.127 0.000 2.343 12 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 12 V C 2.422 178.442 176.094 -0.123 0.000 1.051 12 V CA 2.172 64.469 62.300 -0.006 0.000 1.036 12 V CB -0.427 31.393 31.823 -0.005 0.000 0.654 12 V HN 0.565 nan 8.190 nan 0.000 0.451 13 E N 0.217 120.396 120.200 -0.034 0.000 2.072 13 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 13 E C 2.212 178.809 176.600 -0.006 0.000 0.985 13 E CA 1.777 58.195 56.400 0.029 0.000 0.801 13 E CB -0.249 29.546 29.700 0.159 0.000 0.750 13 E HN 0.605 nan 8.360 nan 0.000 0.452 14 I N 1.522 122.080 120.570 -0.020 0.000 2.179 14 I HA -0.231 3.939 4.170 -0.001 0.000 0.242 14 I C 2.786 178.807 176.117 -0.160 0.000 1.088 14 I CA 1.107 62.374 61.300 -0.054 0.000 1.357 14 I CB -0.451 37.521 38.000 -0.047 0.000 1.051 14 I HN 0.216 nan 8.210 nan 0.000 0.409 15 A N 0.828 123.505 122.820 -0.238 0.000 1.877 15 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 15 A C 2.530 179.927 177.584 -0.312 0.000 1.186 15 A CA 1.981 53.832 52.037 -0.310 0.000 0.620 15 A CB -0.866 17.940 19.000 -0.323 0.000 0.822 15 A HN 0.436 nan 8.150 nan 0.000 0.443 16 A N -1.793 120.758 122.820 -0.449 0.000 1.930 16 A HA 0.152 4.471 4.320 -0.001 0.000 0.217 16 A C 1.744 178.974 177.584 -0.590 0.000 1.175 16 A CA 1.418 53.032 52.037 -0.706 0.000 0.627 16 A CB -0.465 17.771 19.000 -1.272 0.000 0.815 16 A HN 0.568 nan 8.150 nan 0.000 0.443 17 F N -0.940 118.969 119.950 -0.068 0.000 2.784 17 F HA 0.242 4.769 4.527 -0.001 0.000 0.323 17 F C 0.774 176.540 175.800 -0.057 0.000 1.085 17 F CA -0.556 57.410 58.000 -0.056 0.000 1.196 17 F CB 0.523 39.496 39.000 -0.044 0.000 1.053 17 F HN 0.004 nan 8.300 nan 0.000 0.578 18 E N 0.815 121.046 120.200 0.051 0.000 2.254 18 E HA 0.145 4.494 4.350 -0.001 0.000 0.258 18 E C -0.843 175.734 176.600 -0.039 0.000 1.033 18 E CA -0.705 55.699 56.400 0.007 0.000 0.893 18 E CB 1.028 30.718 29.700 -0.017 0.000 1.204 18 E HN -0.148 nan 8.360 nan 0.000 0.425 19 N N 1.129 119.806 118.700 -0.039 0.000 2.868 19 N HA 0.063 4.802 4.740 -0.001 0.000 0.252 19 N C -0.078 175.388 175.510 -0.074 0.000 1.130 19 N CA -0.061 52.960 53.050 -0.049 0.000 1.026 19 N CB -0.058 38.410 38.487 -0.031 0.000 1.335 19 N HN 0.303 nan 8.380 nan 0.000 0.516 20 V N -1.190 118.659 119.914 -0.108 0.000 3.382 20 V HA 0.357 4.477 4.120 -0.001 0.000 0.296 20 V C 0.242 176.251 176.094 -0.142 0.000 1.529 20 V CA -0.464 61.750 62.300 -0.144 0.000 1.048 20 V CB -0.003 31.686 31.823 -0.223 0.000 0.878 20 V HN 0.233 nan 8.190 nan 0.000 0.442 21 D N 2.381 122.714 120.400 -0.113 0.000 2.352 21 D HA 0.473 5.112 4.640 -0.001 0.000 0.245 21 D C 1.429 177.694 176.300 -0.058 0.000 1.224 21 D CA 1.334 55.280 54.000 -0.091 0.000 0.879 21 D CB 0.467 41.220 40.800 -0.078 0.000 1.057 21 D HN 0.706 nan 8.370 nan 0.000 0.491 22 G N 3.949 112.719 108.800 -0.050 0.000 2.160 22 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.251 22 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.251 22 G C 0.474 175.359 174.900 -0.026 0.000 1.008 22 G CA -0.080 45.002 45.100 -0.029 0.000 0.724 22 G HN 0.557 nan 8.290 nan 0.000 0.514 23 L N 0.899 122.099 121.223 -0.039 0.000 2.597 23 L HA 0.250 4.590 4.340 -0.001 0.000 0.271 23 L C 1.278 178.137 176.870 -0.019 0.000 1.157 23 L CA 1.387 56.207 54.840 -0.034 0.000 0.928 23 L CB -0.011 42.019 42.059 -0.049 0.000 1.216 23 L HN 0.578 nan 8.230 nan 0.000 0.481 24 S N 1.500 117.194 115.700 -0.010 0.000 3.358 24 S HA -0.183 4.286 4.470 -0.001 0.000 0.309 24 S C 0.331 174.938 174.600 0.011 0.000 1.247 24 S CA 1.177 59.377 58.200 0.001 0.000 0.961 24 S CB -1.343 61.856 63.200 -0.002 0.000 1.074 24 S HN 0.944 nan 8.310 nan 0.000 0.625 25 S N -0.906 114.799 115.700 0.008 0.000 2.709 25 S HA 0.887 5.356 4.470 -0.001 0.000 0.302 25 S C -0.528 174.082 174.600 0.017 0.000 1.127 25 S CA -0.067 58.138 58.200 0.008 0.000 0.905 25 S CB 2.453 65.652 63.200 -0.003 0.000 1.151 25 S HN 0.674 nan 8.310 nan 0.000 0.510 26 S N -0.498 115.207 115.700 0.008 0.000 2.533 26 S HA 0.501 4.971 4.470 -0.001 0.000 0.271 26 S C 0.457 175.053 174.600 -0.008 0.000 1.143 26 S CA -0.004 58.231 58.200 0.059 0.000 0.891 26 S CB 1.295 64.614 63.200 0.198 0.000 1.105 26 S HN 1.172 nan 8.310 nan 0.000 0.468 27 T N 1.108 115.676 114.554 0.023 0.000 3.088 27 T HA 0.243 4.592 4.350 -0.001 0.000 0.259 27 T C 1.094 175.814 174.700 0.034 0.000 1.122 27 T CA 0.647 62.726 62.100 -0.035 0.000 1.095 27 T CB -0.878 67.984 68.868 -0.010 0.000 0.930 27 T HN 0.877 nan 8.240 nan 0.000 0.508 28 F N -0.449 119.426 119.950 -0.125 0.000 2.935 28 F HA -0.265 4.261 4.527 -0.001 0.000 0.317 28 F C 1.274 177.015 175.800 -0.099 0.000 0.699 28 F CA -0.084 57.839 58.000 -0.128 0.000 1.127 28 F CB -1.829 37.050 39.000 -0.202 0.000 1.491 28 F HN 0.201 nan 8.300 nan 0.000 0.337 29 L N 1.010 122.283 121.223 0.083 0.000 2.275 29 L HA -0.230 4.110 4.340 -0.001 0.000 0.215 29 L C 2.312 179.187 176.870 0.008 0.000 1.119 29 L CA 1.678 56.535 54.840 0.029 0.000 0.790 29 L CB -0.538 41.531 42.059 0.016 0.000 0.919 29 L HN 0.393 nan 8.230 nan 0.000 0.443 30 N N -0.815 117.886 118.700 0.001 0.000 2.364 30 N HA -0.226 4.514 4.740 -0.001 0.000 0.183 30 N C 0.890 176.372 175.510 -0.047 0.000 1.022 30 N CA 1.341 54.377 53.050 -0.024 0.000 0.883 30 N CB -0.436 38.033 38.487 -0.031 0.000 0.965 30 N HN 0.304 nan 8.380 nan 0.000 0.438 31 D N 0.206 120.568 120.400 -0.063 0.000 2.349 31 D HA 0.107 4.746 4.640 -0.001 0.000 0.224 31 D C -0.208 176.066 176.300 -0.044 0.000 1.029 31 D CA 0.133 54.083 54.000 -0.083 0.000 0.879 31 D CB 0.598 41.309 40.800 -0.148 0.000 0.906 31 D HN 0.090 nan 8.370 nan 0.000 0.528 32 V N 1.856 121.757 119.914 -0.021 0.000 2.370 32 V HA 0.356 4.476 4.120 -0.001 0.000 0.283 32 V C 0.184 176.277 176.094 -0.002 0.000 1.023 32 V CA -0.645 61.652 62.300 -0.006 0.000 0.857 32 V CB 1.986 33.811 31.823 0.004 0.000 0.985 32 V HN -0.114 nan 8.190 nan 0.000 0.443 33 I N 5.621 126.192 120.570 0.003 0.000 2.406 33 I HA 0.424 4.594 4.170 -0.001 0.000 0.290 33 I C -0.422 175.705 176.117 0.018 0.000 0.999 33 I CA -0.518 60.787 61.300 0.008 0.000 1.124 33 I CB 1.845 39.849 38.000 0.005 0.000 1.289 33 I HN 0.356 nan 8.210 nan 0.000 0.441 34 L N 6.413 127.648 121.223 0.021 0.000 2.290 34 L HA 0.341 4.681 4.340 -0.001 0.000 0.284 34 L C -0.160 176.735 176.870 0.043 0.000 1.078 34 L CA -0.845 54.011 54.840 0.027 0.000 0.815 34 L CB 1.013 43.085 42.059 0.021 0.000 1.162 34 L HN 0.289 nan 8.230 nan 0.000 0.435 35 V N 2.601 122.540 119.914 0.041 0.000 2.439 35 V HA -0.030 4.089 4.120 -0.001 0.000 0.271 35 V C 0.381 176.520 176.094 0.075 0.000 1.040 35 V CA -0.322 62.012 62.300 0.056 0.000 1.002 35 V CB 0.250 32.095 31.823 0.037 0.000 1.000 35 V HN 0.608 nan 8.190 nan 0.000 0.477 36 H N 5.563 124.637 119.070 0.006 0.000 2.928 36 H HA 0.155 4.711 4.556 -0.001 0.000 0.338 36 H C -0.034 175.304 175.328 0.017 0.000 1.047 36 H CA 0.383 56.436 56.048 0.007 0.000 1.435 36 H CB 0.550 30.317 29.762 0.008 0.000 1.428 36 H HN 0.570 nan 8.280 nan 0.000 0.590 37 Q N 4.317 123.765 119.800 -0.587 0.000 2.456 37 Q HA 0.208 4.547 4.340 -0.001 0.000 0.252 37 Q C 1.156 176.789 176.000 -0.610 0.000 1.042 37 Q CA 0.076 55.620 55.803 -0.433 0.000 0.766 37 Q CB 1.615 30.244 28.738 -0.181 0.000 1.196 37 Q HN 1.079 nan 8.270 nan 0.000 0.504 38 G N 1.598 110.115 108.800 -0.473 0.000 2.462 38 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.220 38 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.220 38 G C 0.210 175.111 174.900 0.001 0.000 1.121 38 G CA 0.377 45.394 45.100 -0.138 0.000 0.758 38 G HN 0.453 nan 8.290 nan 0.000 0.559 39 F N 1.550 121.442 119.950 -0.096 0.000 2.310 39 F HA 0.485 5.012 4.527 -0.001 0.000 0.365 39 F C -1.488 174.275 175.800 -0.063 0.000 1.080 39 F CA -2.547 55.421 58.000 -0.053 0.000 1.187 39 F CB 1.968 40.950 39.000 -0.030 0.000 1.465 39 F HN -0.102 nan 8.300 nan 0.000 0.496 40 P HA 0.042 nan 4.420 nan 0.000 0.218 40 P C 1.068 178.255 177.300 -0.188 0.000 1.149 40 P CA 1.781 64.742 63.100 -0.233 0.000 0.817 40 P CB 0.161 31.732 31.700 -0.215 0.000 0.785 41 G N -0.647 107.923 108.800 -0.384 0.000 2.141 41 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.242 41 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.242 41 G C 0.137 174.997 174.900 -0.066 0.000 0.982 41 G CA 0.241 45.316 45.100 -0.042 0.000 0.662 41 G HN 0.548 nan 8.290 nan 0.000 0.527 42 I N -2.994 117.485 120.570 -0.152 0.000 3.181 42 I HA 0.854 5.023 4.170 -0.001 0.000 0.311 42 I C -0.113 175.951 176.117 -0.089 0.000 1.287 42 I CA -0.733 60.515 61.300 -0.087 0.000 0.958 42 I CB 1.879 39.835 38.000 -0.072 0.000 1.294 42 I HN 0.409 nan 8.210 nan 0.000 0.467 43 S N 1.260 116.939 115.700 -0.036 0.000 2.638 43 S HA 0.490 4.960 4.470 -0.001 0.000 0.298 43 S C 0.388 175.020 174.600 0.053 0.000 1.111 43 S CA -0.593 57.616 58.200 0.014 0.000 1.027 43 S CB 1.732 64.950 63.200 0.031 0.000 1.064 43 S HN 0.763 nan 8.310 nan 0.000 0.525 44 F N 2.398 122.332 119.950 -0.026 0.000 2.126 44 F HA -0.125 4.402 4.527 -0.001 0.000 0.299 44 F C 2.687 178.491 175.800 0.006 0.000 1.096 44 F CA 2.260 60.256 58.000 -0.007 0.000 1.255 44 F CB -0.452 38.558 39.000 0.017 0.000 0.997 44 F HN 0.772 nan 8.300 nan 0.000 0.479 45 S N -0.222 115.597 115.700 0.199 0.000 2.474 45 S HA -0.210 4.259 4.470 -0.001 0.000 0.235 45 S C 1.605 176.215 174.600 0.017 0.000 0.997 45 S CA 0.941 59.212 58.200 0.119 0.000 0.949 45 S CB -0.864 62.409 63.200 0.121 0.000 0.766 45 S HN 0.780 nan 8.310 nan 0.000 0.517 46 E N 0.714 120.905 120.200 -0.014 0.000 2.478 46 E HA 0.172 4.522 4.350 -0.001 0.000 0.194 46 E C 0.190 176.746 176.600 -0.074 0.000 1.045 46 E CA -0.367 56.013 56.400 -0.033 0.000 0.868 46 E CB -0.325 29.362 29.700 -0.021 0.000 0.885 46 E HN 0.555 nan 8.360 nan 0.000 0.505 47 I N 2.841 123.324 120.570 -0.144 0.000 2.668 47 I HA -0.066 4.103 4.170 -0.001 0.000 0.285 47 I C 0.050 176.091 176.117 -0.127 0.000 1.168 47 I CA 0.042 61.232 61.300 -0.183 0.000 1.424 47 I CB 0.124 37.913 38.000 -0.350 0.000 1.377 47 I HN 0.102 nan 8.210 nan 0.000 0.560 48 N N 4.663 123.309 118.700 -0.090 0.000 2.479 48 N HA 0.169 4.909 4.740 -0.001 0.000 0.261 48 N C 0.398 175.879 175.510 -0.049 0.000 0.979 48 N CA -0.607 52.409 53.050 -0.056 0.000 0.930 48 N CB 1.250 39.716 38.487 -0.036 0.000 1.172 48 N HN 0.619 nan 8.380 nan 0.000 0.499 49 T N -0.357 114.172 114.554 -0.041 0.000 3.144 49 T HA 0.219 4.568 4.350 -0.001 0.000 0.249 49 T C 0.530 175.226 174.700 -0.006 0.000 1.089 49 T CA 0.108 62.192 62.100 -0.028 0.000 0.989 49 T CB -0.104 68.749 68.868 -0.025 0.000 0.992 49 T HN 0.283 nan 8.240 nan 0.000 0.540 50 K N 1.324 121.722 120.400 -0.003 0.000 2.355 50 K HA 0.465 4.784 4.320 -0.001 0.000 0.270 50 K C -0.038 176.573 176.600 0.019 0.000 1.003 50 K CA 0.012 56.304 56.287 0.009 0.000 0.957 50 K CB 0.844 33.348 32.500 0.006 0.000 0.939 50 K HN 0.164 nan 8.250 nan 0.000 0.482 51 T N 0.781 115.355 114.554 0.034 0.000 2.769 51 T HA 0.240 4.590 4.350 -0.001 0.000 0.306 51 T C -1.587 173.150 174.700 0.061 0.000 1.400 51 T CA -0.906 61.224 62.100 0.049 0.000 1.007 51 T CB 0.972 69.882 68.868 0.070 0.000 1.392 51 T HN 0.410 nan 8.240 nan 0.000 0.500 52 K N 1.255 121.683 120.400 0.046 0.000 2.174 52 K HA 0.501 4.821 4.320 -0.001 0.000 0.275 52 K C -1.277 175.331 176.600 0.013 0.000 1.015 52 K CA -0.385 55.909 56.287 0.013 0.000 0.933 52 K CB 0.892 33.359 32.500 -0.055 0.000 1.025 52 K HN 0.436 nan 8.250 nan 0.000 0.463 53 F N 4.550 124.392 119.950 -0.180 0.000 2.646 53 F HA 0.197 4.724 4.527 -0.001 0.000 0.364 53 F C -0.157 175.448 175.800 -0.326 0.000 1.137 53 F CA -0.501 57.294 58.000 -0.341 0.000 1.085 53 F CB -0.119 38.814 39.000 -0.112 0.000 1.331 53 F HN 0.765 nan 8.300 nan 0.000 0.472 54 F N 1.355 120.996 119.950 -0.515 0.000 2.640 54 F HA -0.465 4.062 4.527 -0.001 0.000 0.227 54 F C 1.736 177.454 175.800 -0.136 0.000 1.481 54 F CA 1.459 59.257 58.000 -0.338 0.000 1.964 54 F CB -0.729 38.108 39.000 -0.271 0.000 0.564 54 F HN 0.345 nan 8.300 nan 0.000 0.224 55 R N 1.017 121.622 120.500 0.176 0.000 2.317 55 R HA 0.163 4.503 4.340 -0.001 0.000 0.208 55 R C -0.163 176.188 176.300 0.085 0.000 0.914 55 R CA 0.376 56.530 56.100 0.090 0.000 1.060 55 R CB 0.073 30.415 30.300 0.070 0.000 1.015 55 R HN 0.338 nan 8.270 nan 0.000 0.498 56 K N 0.666 121.142 120.400 0.126 0.000 2.185 56 K HA 0.202 4.521 4.320 -0.001 0.000 0.240 56 K C -0.545 176.108 176.600 0.088 0.000 0.983 56 K CA -0.699 55.652 56.287 0.105 0.000 0.873 56 K CB 1.480 34.057 32.500 0.127 0.000 1.118 56 K HN -0.262 nan 8.250 nan 0.000 0.441 57 E N 2.089 122.325 120.200 0.060 0.000 2.166 57 E HA 0.299 4.648 4.350 -0.001 0.000 0.275 57 E C -0.999 175.626 176.600 0.041 0.000 0.941 57 E CA -0.599 55.830 56.400 0.047 0.000 0.784 57 E CB 0.714 30.431 29.700 0.028 0.000 1.115 57 E HN 0.479 nan 8.360 nan 0.000 0.399 58 I N 0.201 120.797 120.570 0.043 0.000 2.863 58 I HA 0.502 4.671 4.170 -0.001 0.000 0.311 58 I C 0.450 176.573 176.117 0.010 0.000 1.026 58 I CA -0.704 60.603 61.300 0.011 0.000 1.077 58 I CB 2.210 40.201 38.000 -0.014 0.000 1.262 58 I HN 0.253 nan 8.210 nan 0.000 0.461 59 S N 1.822 117.521 115.700 -0.003 0.000 2.470 59 S HA 0.226 4.695 4.470 -0.001 0.000 0.225 59 S C 0.389 174.996 174.600 0.010 0.000 1.006 59 S CA 0.191 58.395 58.200 0.007 0.000 0.934 59 S CB 0.059 63.267 63.200 0.014 0.000 0.778 59 S HN 0.475 nan 8.310 nan 0.000 0.517 60 V N 2.547 122.461 119.914 0.001 0.000 2.851 60 V HA 0.337 4.456 4.120 -0.001 0.000 0.307 60 V C -2.651 173.447 176.094 0.006 0.000 1.129 60 V CA -1.817 60.482 62.300 -0.001 0.000 0.932 60 V CB 2.306 34.120 31.823 -0.016 0.000 1.024 60 V HN -0.066 nan 8.190 nan 0.000 0.426 61 P HA 0.240 nan 4.420 nan 0.000 0.220 61 P C -0.658 176.669 177.300 0.045 0.000 1.778 61 P CA 0.077 63.207 63.100 0.051 0.000 0.912 61 P CB 0.361 32.087 31.700 0.043 0.000 1.861 62 V N 2.465 122.393 119.914 0.024 0.000 2.841 62 V HA 0.573 4.692 4.120 -0.001 0.000 0.310 62 V C 0.177 176.270 176.094 -0.002 0.000 1.090 62 V CA -0.757 61.559 62.300 0.027 0.000 0.930 62 V CB 2.522 34.357 31.823 0.021 0.000 1.014 62 V HN 0.265 nan 8.190 nan 0.000 0.425 63 M N 3.205 122.827 119.600 0.037 0.000 2.572 63 M HA 0.839 5.318 4.480 -0.001 0.000 0.299 63 M C -1.594 174.756 176.300 0.083 0.000 1.205 63 M CA -0.780 54.523 55.300 0.005 0.000 0.876 63 M CB 2.272 34.872 32.600 0.001 0.000 1.728 63 M HN 0.227 nan 8.290 nan 0.000 0.458 64 V N 2.423 122.387 119.914 0.084 0.000 2.408 64 V HA 0.336 4.456 4.120 -0.001 0.000 0.267 64 V C 0.673 176.830 176.094 0.106 0.000 1.047 64 V CA -0.287 62.094 62.300 0.135 0.000 0.937 64 V CB 0.570 32.494 31.823 0.168 0.000 0.999 64 V HN 1.010 nan 8.190 nan 0.000 0.472 65 T N 2.392 117.012 114.554 0.110 0.000 2.874 65 T HA 0.550 4.899 4.350 -0.001 0.000 0.281 65 T C 0.662 175.420 174.700 0.097 0.000 0.994 65 T CA -0.133 62.032 62.100 0.109 0.000 1.015 65 T CB 1.408 70.340 68.868 0.106 0.000 1.028 65 T HN 0.902 nan 8.240 nan 0.000 0.523 66 G N 0.515 109.373 108.800 0.096 0.000 2.353 66 G HA2 0.413 4.372 3.960 -0.001 0.000 0.239 66 G HA3 0.413 4.372 3.960 -0.001 0.000 0.239 66 G C 0.166 175.106 174.900 0.066 0.000 1.295 66 G CA -0.420 44.733 45.100 0.090 0.000 0.884 66 G HN 0.827 nan 8.290 nan 0.000 0.537 67 M N 0.603 120.250 119.600 0.079 0.000 2.394 67 M HA 0.216 4.696 4.480 -0.001 0.000 0.203 67 M C 1.002 177.351 176.300 0.082 0.000 1.713 67 M CA 0.319 55.663 55.300 0.074 0.000 1.063 67 M CB 0.973 33.613 32.600 0.067 0.000 1.431 67 M HN 0.563 nan 8.290 nan 0.000 0.572 68 T N -0.850 113.750 114.554 0.077 0.000 2.696 68 T HA 0.735 5.084 4.350 -0.001 0.000 0.291 68 T C -1.544 173.122 174.700 -0.057 0.000 1.095 68 T CA 0.204 62.330 62.100 0.043 0.000 1.026 68 T CB 2.135 71.010 68.868 0.012 0.000 1.390 68 T HN 0.625 nan 8.240 nan 0.000 0.513 69 G N -1.455 107.206 108.800 -0.232 0.000 2.348 69 G HA2 0.457 4.417 3.960 -0.001 0.000 0.606 69 G HA3 0.457 4.417 3.960 -0.001 0.000 0.606 69 G C 0.285 174.905 174.900 -0.467 0.000 1.466 69 G CA 0.436 45.058 45.100 -0.796 0.000 0.950 69 G HN 1.852 nan 8.290 nan 0.000 0.657 70 G N -0.205 108.333 108.800 -0.438 0.000 2.425 70 G HA2 0.132 4.092 3.960 -0.001 0.000 0.177 70 G HA3 0.132 4.092 3.960 -0.001 0.000 0.177 70 G C 0.210 175.102 174.900 -0.014 0.000 0.999 70 G CA 0.636 45.722 45.100 -0.023 0.000 0.723 70 G HN 1.072 nan 8.290 nan 0.000 0.491 71 R N -0.451 120.005 120.500 -0.074 0.000 2.764 71 R HA 0.393 4.733 4.340 -0.001 0.000 0.270 71 R C 0.408 176.673 176.300 -0.058 0.000 1.014 71 R CA -0.751 55.327 56.100 -0.037 0.000 0.904 71 R CB 0.412 30.703 30.300 -0.016 0.000 1.236 71 R HN -0.002 nan 8.270 nan 0.000 0.466 72 N N 1.533 120.214 118.700 -0.032 0.000 2.104 72 N HA -0.181 4.558 4.740 -0.001 0.000 0.190 72 N C 1.119 176.609 175.510 -0.033 0.000 1.024 72 N CA 1.648 54.680 53.050 -0.031 0.000 0.853 72 N CB 0.239 38.718 38.487 -0.013 0.000 1.008 72 N HN 0.561 nan 8.380 nan 0.000 0.424 73 E N 0.953 121.139 120.200 -0.024 0.000 2.150 73 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 73 E C 1.925 178.507 176.600 -0.031 0.000 0.985 73 E CA 0.598 56.988 56.400 -0.017 0.000 0.814 73 E CB -0.467 29.232 29.700 -0.001 0.000 0.752 73 E HN 0.217 nan 8.360 nan 0.000 0.466 74 L N 1.251 122.442 121.223 -0.053 0.000 2.109 74 L HA 0.049 4.389 4.340 -0.001 0.000 0.207 74 L C 2.588 179.386 176.870 -0.120 0.000 1.086 74 L CA 1.872 56.662 54.840 -0.082 0.000 0.760 74 L CB -1.606 40.392 42.059 -0.103 0.000 0.910 74 L HN 0.272 nan 8.230 nan 0.000 0.437 75 G N -0.051 108.668 108.800 -0.135 0.000 2.432 75 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.219 75 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.219 75 G C 1.767 176.626 174.900 -0.068 0.000 1.135 75 G CA 0.931 45.952 45.100 -0.131 0.000 0.767 75 G HN 0.485 nan 8.290 nan 0.000 0.550 76 R N -0.034 120.439 120.500 -0.045 0.000 2.161 76 R HA 0.276 4.616 4.340 -0.001 0.000 0.213 76 R C 2.176 178.468 176.300 -0.014 0.000 1.055 76 R CA 0.693 56.780 56.100 -0.021 0.000 0.996 76 R CB -0.489 29.805 30.300 -0.010 0.000 0.901 76 R HN 0.351 nan 8.270 nan 0.000 0.456 77 I N 1.499 122.055 120.570 -0.023 0.000 2.179 77 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 77 I C 1.567 177.676 176.117 -0.013 0.000 1.088 77 I CA 1.207 62.496 61.300 -0.019 0.000 1.357 77 I CB -0.482 37.501 38.000 -0.029 0.000 1.051 77 I HN 0.252 nan 8.210 nan 0.000 0.409 78 N N 1.068 119.749 118.700 -0.032 0.000 2.094 78 N HA -0.249 4.490 4.740 -0.001 0.000 0.191 78 N C 1.761 177.277 175.510 0.010 0.000 1.023 78 N CA 1.366 54.405 53.050 -0.018 0.000 0.857 78 N CB -0.329 38.119 38.487 -0.066 0.000 1.013 78 N HN 0.329 nan 8.380 nan 0.000 0.426 79 K N 0.666 121.068 120.400 0.003 0.000 2.032 79 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 79 K C 2.062 178.685 176.600 0.040 0.000 1.048 79 K CA 1.005 57.305 56.287 0.021 0.000 0.927 79 K CB -0.185 32.322 32.500 0.012 0.000 0.712 79 K HN 0.102 nan 8.250 nan 0.000 0.441 80 I N 1.052 121.644 120.570 0.038 0.000 2.163 80 I HA -0.321 3.848 4.170 -0.001 0.000 0.243 80 I C 2.284 178.455 176.117 0.090 0.000 1.085 80 I CA 1.337 62.671 61.300 0.057 0.000 1.347 80 I CB -0.215 37.809 38.000 0.040 0.000 1.044 80 I HN 0.204 nan 8.210 nan 0.000 0.408 81 I N 0.561 121.181 120.570 0.083 0.000 2.179 81 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 81 I C 2.804 179.005 176.117 0.140 0.000 1.088 81 I CA 1.380 62.758 61.300 0.129 0.000 1.357 81 I CB -0.566 37.493 38.000 0.098 0.000 1.051 81 I HN 0.189 nan 8.210 nan 0.000 0.409 82 A N 1.354 124.230 122.820 0.093 0.000 1.877 82 A HA -0.251 4.068 4.320 -0.001 0.000 0.216 82 A C 2.273 179.907 177.584 0.083 0.000 1.186 82 A CA 2.045 54.129 52.037 0.079 0.000 0.620 82 A CB -0.804 18.231 19.000 0.060 0.000 0.822 82 A HN 0.653 nan 8.150 nan 0.000 0.443 83 E N -0.165 120.087 120.200 0.086 0.000 2.106 83 E HA -0.115 4.235 4.350 -0.001 0.000 0.192 83 E C 1.706 178.381 176.600 0.125 0.000 0.984 83 E CA 1.555 58.006 56.400 0.084 0.000 0.806 83 E CB -0.521 29.220 29.700 0.069 0.000 0.750 83 E HN 0.328 nan 8.360 nan 0.000 0.458 84 V N 1.883 121.911 119.914 0.190 0.000 2.379 84 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 84 V C 2.684 178.974 176.094 0.326 0.000 1.044 84 V CA 1.608 64.102 62.300 0.324 0.000 1.036 84 V CB -0.723 31.352 31.823 0.421 0.000 0.664 84 V HN 0.455 nan 8.190 nan 0.000 0.453 85 A N 0.392 123.322 122.820 0.184 0.000 1.917 85 A HA -0.308 4.011 4.320 -0.001 0.000 0.219 85 A C 2.200 179.801 177.584 0.028 0.000 1.182 85 A CA 2.342 54.384 52.037 0.008 0.000 0.633 85 A CB -0.524 18.475 19.000 -0.003 0.000 0.819 85 A HN 0.605 nan 8.150 nan 0.000 0.448 86 E N 0.215 120.446 120.200 0.052 0.000 2.051 86 E HA -0.207 4.143 4.350 -0.001 0.000 0.192 86 E C 2.004 178.610 176.600 0.010 0.000 0.991 86 E CA 1.867 58.282 56.400 0.024 0.000 0.799 86 E CB -0.266 29.450 29.700 0.027 0.000 0.748 86 E HN 0.599 nan 8.360 nan 0.000 0.449 87 K N -1.050 119.364 120.400 0.024 0.000 2.103 87 K HA -0.141 4.179 4.320 -0.001 0.000 0.207 87 K C 1.344 177.821 176.600 -0.205 0.000 1.048 87 K CA 1.459 57.695 56.287 -0.085 0.000 0.930 87 K CB -0.222 32.224 32.500 -0.091 0.000 0.716 87 K HN 0.207 nan 8.250 nan 0.000 0.444 88 F N -0.291 119.613 119.950 -0.076 0.000 2.776 88 F HA 0.226 4.753 4.527 -0.001 0.000 0.300 88 F C 1.243 176.963 175.800 -0.133 0.000 1.116 88 F CA 0.581 58.510 58.000 -0.119 0.000 1.375 88 F CB 0.950 39.810 39.000 -0.233 0.000 1.109 88 F HN 0.263 nan 8.300 nan 0.000 0.585 89 G N 1.638 110.450 108.800 0.020 0.000 2.182 89 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.248 89 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.248 89 G C -0.020 174.843 174.900 -0.061 0.000 1.042 89 G CA -0.180 44.909 45.100 -0.020 0.000 0.775 89 G HN 0.314 nan 8.290 nan 0.000 0.501 90 I N 1.478 121.983 120.570 -0.108 0.000 2.378 90 I HA 0.333 4.502 4.170 -0.001 0.000 0.291 90 I C -1.915 174.086 176.117 -0.194 0.000 0.992 90 I CA -2.731 58.454 61.300 -0.191 0.000 1.154 90 I CB 2.078 39.859 38.000 -0.365 0.000 1.315 90 I HN -0.128 nan 8.210 nan 0.000 0.448 91 P HA 0.127 nan 4.420 nan 0.000 0.269 91 P C -0.921 176.270 177.300 -0.183 0.000 1.215 91 P CA -0.258 62.636 63.100 -0.344 0.000 0.780 91 P CB 0.731 31.916 31.700 -0.858 0.000 0.898 92 M N 1.772 121.316 119.600 -0.094 0.000 2.267 92 M HA 0.557 5.037 4.480 -0.001 0.000 0.289 92 M C -0.577 175.754 176.300 0.052 0.000 1.043 92 M CA -0.459 54.843 55.300 0.003 0.000 0.928 92 M CB 2.084 34.703 32.600 0.033 0.000 1.613 92 M HN 0.443 nan 8.290 nan 0.000 0.450 93 G N 3.153 112.004 108.800 0.086 0.000 2.400 93 G HA2 0.585 4.545 3.960 -0.001 0.000 0.301 93 G HA3 0.585 4.545 3.960 -0.001 0.000 0.301 93 G C -0.529 174.443 174.900 0.120 0.000 1.154 93 G CA -0.580 44.590 45.100 0.116 0.000 0.852 93 G HN 0.776 nan 8.290 nan 0.000 0.511 94 V N 0.080 120.081 119.914 0.144 0.000 3.096 94 V HA 0.936 5.056 4.120 -0.001 0.000 0.319 94 V C 0.931 177.145 176.094 0.200 0.000 1.082 94 V CA -0.319 62.102 62.300 0.202 0.000 1.022 94 V CB 1.131 33.157 31.823 0.339 0.000 1.103 94 V HN 0.960 nan 8.190 nan 0.000 0.455 95 G N 0.428 109.381 108.800 0.256 0.000 2.634 95 G HA2 0.362 4.321 3.960 -0.001 0.000 0.255 95 G HA3 0.362 4.321 3.960 -0.001 0.000 0.255 95 G C 0.208 175.258 174.900 0.250 0.000 1.205 95 G CA 0.160 45.386 45.100 0.209 0.000 0.884 95 G HN 1.322 nan 8.290 nan 0.000 0.549 96 S N -1.024 114.765 115.700 0.149 0.000 2.642 96 S HA -0.070 4.399 4.470 -0.001 0.000 0.308 96 S C 1.168 175.785 174.600 0.028 0.000 1.255 96 S CA 0.407 58.676 58.200 0.115 0.000 1.057 96 S CB 0.294 63.589 63.200 0.158 0.000 0.785 96 S HN 0.583 nan 8.310 nan 0.000 0.500 97 Q N 3.119 122.800 119.800 -0.198 0.000 2.319 97 Q HA 0.158 4.498 4.340 -0.001 0.000 0.202 97 Q C 2.080 177.954 176.000 -0.211 0.000 0.896 97 Q CA -0.443 55.047 55.803 -0.521 0.000 0.942 97 Q CB 0.160 28.501 28.738 -0.661 0.000 1.083 97 Q HN 0.599 nan 8.270 nan 0.000 0.510 98 R N 0.714 121.187 120.500 -0.045 0.000 2.112 98 R HA -0.195 4.144 4.340 -0.001 0.000 0.242 98 R C 2.062 178.411 176.300 0.082 0.000 1.137 98 R CA 1.752 57.882 56.100 0.051 0.000 0.944 98 R CB -0.735 29.561 30.300 -0.007 0.000 0.857 98 R HN 0.268 nan 8.270 nan 0.000 0.435 99 V N 0.747 120.718 119.914 0.094 0.000 2.546 99 V HA -0.227 3.893 4.120 -0.001 0.000 0.254 99 V C 2.111 178.279 176.094 0.124 0.000 1.076 99 V CA 2.239 64.613 62.300 0.123 0.000 1.087 99 V CB -0.361 31.559 31.823 0.162 0.000 0.674 99 V HN 0.524 nan 8.190 nan 0.000 0.470 100 A N -0.816 122.064 122.820 0.099 0.000 2.095 100 A HA 0.137 4.457 4.320 -0.001 0.000 0.212 100 A C 1.971 179.561 177.584 0.009 0.000 1.162 100 A CA 0.720 52.804 52.037 0.079 0.000 0.753 100 A CB -0.267 18.779 19.000 0.077 0.000 0.840 100 A HN 0.458 nan 8.150 nan 0.000 0.468 101 I N 0.558 121.122 120.570 -0.010 0.000 2.226 101 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 101 I C 2.140 178.264 176.117 0.012 0.000 1.100 101 I CA 1.536 62.827 61.300 -0.015 0.000 1.374 101 I CB -1.361 36.636 38.000 -0.004 0.000 1.057 101 I HN 0.465 nan 8.210 nan 0.000 0.413 102 E N 0.389 120.624 120.200 0.058 0.000 2.112 102 E HA -0.030 4.320 4.350 -0.001 0.000 0.190 102 E C 0.560 177.186 176.600 0.044 0.000 0.979 102 E CA 0.714 57.149 56.400 0.057 0.000 0.814 102 E CB 0.244 29.992 29.700 0.081 0.000 0.762 102 E HN 0.342 nan 8.360 nan 0.000 0.460 103 K N -0.353 120.079 120.400 0.053 0.000 2.463 103 K HA 0.389 4.708 4.320 -0.001 0.000 0.255 103 K C -0.184 176.449 176.600 0.055 0.000 0.942 103 K CA -0.302 56.016 56.287 0.051 0.000 0.814 103 K CB 1.901 34.438 32.500 0.060 0.000 1.122 103 K HN -0.054 nan 8.250 nan 0.000 0.425 104 A N 2.995 125.840 122.820 0.042 0.000 2.067 104 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 104 A C 1.359 178.975 177.584 0.053 0.000 1.158 104 A CA 1.366 53.428 52.037 0.043 0.000 0.661 104 A CB -0.244 18.773 19.000 0.029 0.000 0.801 104 A HN 0.802 nan 8.150 nan 0.000 0.452 105 E N 0.381 120.612 120.200 0.051 0.000 2.204 105 E HA -0.004 4.345 4.350 -0.001 0.000 0.195 105 E C 1.897 178.537 176.600 0.066 0.000 0.990 105 E CA 1.140 57.570 56.400 0.049 0.000 0.821 105 E CB -0.417 29.306 29.700 0.039 0.000 0.750 105 E HN 0.586 nan 8.360 nan 0.000 0.477 106 A N 0.777 123.655 122.820 0.095 0.000 2.167 106 A HA -0.023 4.297 4.320 -0.001 0.000 0.214 106 A C 1.847 179.572 177.584 0.235 0.000 1.151 106 A CA 0.491 52.616 52.037 0.146 0.000 0.735 106 A CB -0.159 18.953 19.000 0.187 0.000 0.802 106 A HN 0.051 nan 8.150 nan 0.000 0.467 107 R N -0.397 120.218 120.500 0.192 0.000 2.081 107 R HA -0.168 4.171 4.340 -0.001 0.000 0.235 107 R C 2.122 178.547 176.300 0.208 0.000 1.131 107 R CA 1.552 57.784 56.100 0.221 0.000 0.960 107 R CB -0.232 30.138 30.300 0.115 0.000 0.856 107 R HN 0.534 nan 8.270 nan 0.000 0.436 108 E N 0.946 121.213 120.200 0.112 0.000 2.160 108 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 108 E C 1.709 178.328 176.600 0.032 0.000 0.991 108 E CA 1.863 58.304 56.400 0.069 0.000 0.810 108 E CB -0.083 29.640 29.700 0.038 0.000 0.742 108 E HN 0.322 nan 8.360 nan 0.000 0.466 109 S N -1.349 114.333 115.700 -0.030 0.000 2.507 109 S HA -0.063 4.407 4.470 -0.001 0.000 0.235 109 S C 1.634 176.016 174.600 -0.362 0.000 0.988 109 S CA 0.669 58.748 58.200 -0.202 0.000 0.944 109 S CB -0.468 62.557 63.200 -0.291 0.000 0.762 109 S HN 0.276 nan 8.310 nan 0.000 0.526 110 F N 1.477 121.441 119.950 0.024 0.000 2.343 110 F HA 0.472 4.998 4.527 -0.001 0.000 0.286 110 F C 2.779 178.593 175.800 0.023 0.000 1.057 110 F CA 0.237 58.251 58.000 0.024 0.000 1.365 110 F CB -0.813 38.200 39.000 0.022 0.000 1.114 110 F HN 0.236 nan 8.300 nan 0.000 0.545 111 A N 0.375 123.320 122.820 0.208 0.000 1.940 111 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 111 A C 2.085 179.717 177.584 0.080 0.000 1.176 111 A CA 1.612 53.722 52.037 0.122 0.000 0.631 111 A CB -1.091 17.965 19.000 0.094 0.000 0.814 111 A HN 0.357 nan 8.150 nan 0.000 0.446 112 I N -0.170 120.435 120.570 0.059 0.000 2.315 112 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 112 I C 2.203 178.345 176.117 0.042 0.000 1.125 112 I CA 1.258 62.580 61.300 0.037 0.000 1.392 112 I CB -0.287 37.721 38.000 0.014 0.000 1.065 112 I HN 0.117 nan 8.210 nan 0.000 0.424 113 V N 0.658 120.605 119.914 0.056 0.000 2.287 113 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 113 V C 2.716 178.843 176.094 0.056 0.000 1.053 113 V CA 2.266 64.602 62.300 0.060 0.000 1.027 113 V CB -0.795 31.079 31.823 0.085 0.000 0.646 113 V HN 0.416 nan 8.190 nan 0.000 0.447 114 R N 0.345 120.880 120.500 0.059 0.000 2.148 114 R HA -0.046 4.294 4.340 -0.001 0.000 0.223 114 R C 2.141 178.464 176.300 0.038 0.000 1.088 114 R CA 1.346 57.475 56.100 0.048 0.000 0.985 114 R CB -0.427 29.902 30.300 0.050 0.000 0.880 114 R HN 0.465 nan 8.270 nan 0.000 0.451 115 K N -0.969 119.454 120.400 0.038 0.000 2.097 115 K HA -0.057 4.263 4.320 -0.001 0.000 0.206 115 K C 1.627 178.243 176.600 0.028 0.000 1.049 115 K CA 1.479 57.784 56.287 0.030 0.000 0.933 115 K CB -0.022 32.496 32.500 0.029 0.000 0.717 115 K HN 0.033 nan 8.250 nan 0.000 0.442 116 V N -0.077 119.856 119.914 0.031 0.000 3.471 116 V HA 0.112 4.232 4.120 -0.001 0.000 0.258 116 V C 0.213 176.326 176.094 0.032 0.000 1.192 116 V CA 0.566 62.885 62.300 0.031 0.000 1.116 116 V CB 0.830 32.673 31.823 0.034 0.000 0.792 116 V HN 0.211 nan 8.190 nan 0.000 0.459 117 A N 0.715 123.555 122.820 0.033 0.000 3.159 117 A HA 0.542 4.862 4.320 -0.001 0.000 0.330 117 A C -1.583 176.017 177.584 0.026 0.000 1.032 117 A CA -0.831 51.224 52.037 0.029 0.000 0.841 117 A CB 0.422 19.442 19.000 0.034 0.000 1.093 117 A HN 0.251 nan 8.150 nan 0.000 0.478 118 P HA -0.121 nan 4.420 nan 0.000 0.221 118 P C 1.302 178.614 177.300 0.020 0.000 1.150 118 P CA 1.982 65.095 63.100 0.021 0.000 0.800 118 P CB 0.135 31.846 31.700 0.017 0.000 0.787 119 T N -2.646 111.917 114.554 0.016 0.000 3.042 119 T HA 0.138 4.487 4.350 -0.001 0.000 0.245 119 T C 1.295 176.004 174.700 0.015 0.000 1.029 119 T CA -0.230 61.879 62.100 0.015 0.000 1.120 119 T CB -1.095 67.778 68.868 0.009 0.000 0.917 119 T HN 0.094 nan 8.240 nan 0.000 0.467 120 I N 0.830 121.403 120.570 0.004 0.000 2.938 120 I HA 0.417 4.587 4.170 -0.001 0.000 0.285 120 I C -2.830 173.285 176.117 -0.003 0.000 1.182 120 I CA -2.444 58.847 61.300 -0.015 0.000 1.388 120 I CB -0.269 37.707 38.000 -0.040 0.000 1.390 120 I HN -0.149 nan 8.210 nan 0.000 0.600 121 P HA 0.222 nan 4.420 nan 0.000 0.268 121 P C -0.826 176.474 177.300 0.001 0.000 1.204 121 P CA 0.167 63.281 63.100 0.023 0.000 0.768 121 P CB 0.461 32.154 31.700 -0.011 0.000 0.842 122 I N 4.461 125.076 120.570 0.075 0.000 2.509 122 I HA 0.373 4.542 4.170 -0.001 0.000 0.293 122 I C -0.072 176.119 176.117 0.123 0.000 1.020 122 I CA -0.781 60.564 61.300 0.076 0.000 1.088 122 I CB 1.713 39.753 38.000 0.068 0.000 1.267 122 I HN 0.198 nan 8.210 nan 0.000 0.430 123 I N 4.710 125.358 120.570 0.130 0.000 2.418 123 I HA 0.536 4.706 4.170 -0.001 0.000 0.287 123 I C 0.644 176.821 176.117 0.100 0.000 1.008 123 I CA -0.198 61.197 61.300 0.157 0.000 1.104 123 I CB 1.694 39.840 38.000 0.243 0.000 1.264 123 I HN 0.638 nan 8.210 nan 0.000 0.438 124 A N 5.019 127.870 122.820 0.051 0.000 2.292 124 A HA 0.587 4.906 4.320 -0.001 0.000 0.265 124 A C 0.009 177.577 177.584 -0.026 0.000 1.133 124 A CA -0.208 51.821 52.037 -0.014 0.000 0.807 124 A CB 0.370 19.327 19.000 -0.072 0.000 1.102 124 A HN 0.751 nan 8.150 nan 0.000 0.502 125 N N -0.534 118.111 118.700 -0.092 0.000 2.503 125 N HA 0.510 5.249 4.740 -0.001 0.000 0.287 125 N C -1.946 173.472 175.510 -0.154 0.000 1.096 125 N CA -0.218 52.796 53.050 -0.060 0.000 0.936 125 N CB 1.148 39.668 38.487 0.054 0.000 1.570 125 N HN 0.571 nan 8.380 nan 0.000 0.504 126 L N 0.724 121.797 121.223 -0.249 0.000 2.359 126 L HA 0.668 5.008 4.340 -0.001 0.000 0.256 126 L C 0.754 177.287 176.870 -0.562 0.000 1.026 126 L CA -1.121 53.514 54.840 -0.341 0.000 0.828 126 L CB 2.116 43.874 42.059 -0.503 0.000 1.406 126 L HN 0.509 nan 8.230 nan 0.000 0.413 127 G N 0.011 108.396 108.800 -0.692 0.000 2.356 127 G HA2 0.381 4.341 3.960 -0.001 0.000 0.298 127 G HA3 0.381 4.341 3.960 -0.001 0.000 0.298 127 G C 0.472 175.077 174.900 -0.491 0.000 1.145 127 G CA -0.466 43.998 45.100 -1.059 0.000 0.850 127 G HN 0.654 nan 8.290 nan 0.000 0.487 128 M N 3.349 122.733 119.600 -0.359 0.000 2.116 128 M HA -0.077 4.403 4.480 -0.001 0.000 0.255 128 M C -0.339 175.773 176.300 -0.313 0.000 1.075 128 M CA 1.979 57.158 55.300 -0.202 0.000 1.087 128 M CB -0.724 31.847 32.600 -0.048 0.000 1.340 128 M HN 0.392 nan 8.290 nan 0.000 0.402 129 P HA -0.111 nan 4.420 nan 0.000 0.220 129 P C 1.124 178.253 177.300 -0.286 0.000 1.148 129 P CA 1.089 63.915 63.100 -0.457 0.000 0.803 129 P CB -0.112 31.320 31.700 -0.446 0.000 0.782 130 Q N -0.501 119.114 119.800 -0.309 0.000 2.197 130 Q HA -0.136 4.204 4.340 -0.001 0.000 0.207 130 Q C 1.945 177.874 176.000 -0.118 0.000 0.984 130 Q CA 1.316 56.894 55.803 -0.375 0.000 0.869 130 Q CB -1.141 27.177 28.738 -0.699 0.000 0.906 130 Q HN 0.262 nan 8.270 nan 0.000 0.426 131 L N -0.547 120.651 121.223 -0.043 0.000 2.275 131 L HA -0.103 4.236 4.340 -0.001 0.000 0.215 131 L C 1.794 178.695 176.870 0.051 0.000 1.119 131 L CA 0.698 55.551 54.840 0.021 0.000 0.790 131 L CB -0.299 41.728 42.059 -0.052 0.000 0.919 131 L HN 0.221 nan 8.230 nan 0.000 0.443 132 V N -4.839 115.088 119.914 0.022 0.000 3.621 132 V HA 0.080 4.200 4.120 -0.001 0.000 0.285 132 V C 1.282 177.406 176.094 0.051 0.000 1.346 132 V CA 0.261 62.622 62.300 0.102 0.000 1.104 132 V CB -0.267 31.586 31.823 0.050 0.000 0.913 132 V HN 0.258 nan 8.190 nan 0.000 0.432 133 K N 1.560 121.971 120.400 0.018 0.000 2.576 133 K HA 0.526 4.845 4.320 -0.001 0.000 0.209 133 K C 1.110 177.777 176.600 0.112 0.000 1.049 133 K CA 0.356 56.655 56.287 0.021 0.000 1.140 133 K CB 0.411 32.880 32.500 -0.051 0.000 0.871 133 K HN 0.655 nan 8.250 nan 0.000 0.479 134 G N 0.983 109.875 108.800 0.154 0.000 2.160 134 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 134 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 134 G C -0.558 174.520 174.900 0.295 0.000 1.022 134 G CA -0.165 45.047 45.100 0.187 0.000 0.741 134 G HN 0.230 nan 8.290 nan 0.000 0.508 135 Y N 0.050 120.378 120.300 0.048 0.000 2.352 135 Y HA 0.644 5.194 4.550 -0.001 0.000 0.326 135 Y C 1.043 176.977 175.900 0.057 0.000 1.166 135 Y CA -0.090 58.055 58.100 0.076 0.000 1.182 135 Y CB 1.866 40.400 38.460 0.123 0.000 1.216 135 Y HN 0.400 nan 8.280 nan 0.000 0.474 136 G N 1.123 109.996 108.800 0.121 0.000 2.871 136 G HA2 0.184 4.144 3.960 -0.001 0.000 0.282 136 G HA3 0.184 4.144 3.960 -0.001 0.000 0.282 136 G C 0.234 175.094 174.900 -0.066 0.000 1.212 136 G CA -0.665 44.412 45.100 -0.038 0.000 0.812 136 G HN 0.679 nan 8.290 nan 0.000 0.547 137 L N -0.070 121.073 121.223 -0.133 0.000 2.010 137 L HA -0.181 4.158 4.340 -0.001 0.000 0.219 137 L C 2.959 179.831 176.870 0.003 0.000 1.077 137 L CA 2.801 57.583 54.840 -0.097 0.000 0.773 137 L CB -0.199 41.807 42.059 -0.088 0.000 0.892 137 L HN 0.673 nan 8.230 nan 0.000 0.436 138 K N 0.261 120.649 120.400 -0.021 0.000 2.063 138 K HA -0.241 4.079 4.320 -0.001 0.000 0.208 138 K C 1.746 178.332 176.600 -0.024 0.000 1.048 138 K CA 1.892 58.162 56.287 -0.028 0.000 0.928 138 K CB -0.079 32.387 32.500 -0.055 0.000 0.713 138 K HN 0.266 nan 8.250 nan 0.000 0.442 139 E N -0.395 119.779 120.200 -0.044 0.000 2.106 139 E HA -0.068 4.281 4.350 -0.001 0.000 0.192 139 E C 1.758 178.387 176.600 0.048 0.000 0.984 139 E CA 1.445 57.779 56.400 -0.109 0.000 0.806 139 E CB -0.268 29.169 29.700 -0.437 0.000 0.750 139 E HN 0.328 nan 8.360 nan 0.000 0.458 140 F N 1.095 121.003 119.950 -0.069 0.000 2.102 140 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 140 F C 2.449 178.216 175.800 -0.055 0.000 1.105 140 F CA 1.236 59.209 58.000 -0.044 0.000 1.239 140 F CB -0.087 38.889 39.000 -0.041 0.000 0.991 140 F HN 0.029 nan 8.300 nan 0.000 0.474 141 Q N -0.002 119.875 119.800 0.129 0.000 2.084 141 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 141 Q C 1.720 177.721 176.000 0.002 0.000 0.978 141 Q CA 1.649 57.478 55.803 0.044 0.000 0.844 141 Q CB -0.213 28.537 28.738 0.020 0.000 0.898 141 Q HN 0.336 nan 8.270 nan 0.000 0.426 142 D N 0.406 120.795 120.400 -0.018 0.000 2.117 142 D HA -0.132 4.508 4.640 -0.001 0.000 0.197 142 D C 1.768 178.027 176.300 -0.067 0.000 0.987 142 D CA 1.327 55.300 54.000 -0.045 0.000 0.829 142 D CB -0.304 40.457 40.800 -0.065 0.000 0.961 142 D HN 0.264 nan 8.370 nan 0.000 0.460 143 A N 0.707 123.468 122.820 -0.098 0.000 1.883 143 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 143 A C 2.379 179.903 177.584 -0.100 0.000 1.186 143 A CA 1.207 53.154 52.037 -0.149 0.000 0.624 143 A CB -0.854 18.012 19.000 -0.222 0.000 0.822 143 A HN 0.207 nan 8.150 nan 0.000 0.444 144 I N -0.610 119.923 120.570 -0.062 0.000 2.179 144 I HA -0.283 3.886 4.170 -0.001 0.000 0.242 144 I C 2.835 178.944 176.117 -0.014 0.000 1.088 144 I CA 1.767 63.051 61.300 -0.027 0.000 1.357 144 I CB -0.311 37.686 38.000 -0.005 0.000 1.051 144 I HN 0.464 nan 8.210 nan 0.000 0.409 145 Q N 1.119 120.911 119.800 -0.014 0.000 2.167 145 Q HA -0.245 4.095 4.340 -0.001 0.000 0.202 145 Q C 2.195 178.195 176.000 0.000 0.000 0.970 145 Q CA 1.705 57.505 55.803 -0.005 0.000 0.855 145 Q CB -0.287 28.447 28.738 -0.007 0.000 0.911 145 Q HN 0.530 nan 8.270 nan 0.000 0.438 146 M N 0.628 120.222 119.600 -0.010 0.000 2.267 146 M HA -0.138 4.342 4.480 -0.001 0.000 0.263 146 M C 1.526 177.847 176.300 0.035 0.000 1.063 146 M CA 1.589 56.892 55.300 0.005 0.000 1.090 146 M CB 0.046 32.630 32.600 -0.027 0.000 1.392 146 M HN 0.370 nan 8.290 nan 0.000 0.422 147 I N -3.482 117.107 120.570 0.031 0.000 4.102 147 I HA 0.294 4.463 4.170 -0.001 0.000 0.325 147 I C -0.781 175.361 176.117 0.042 0.000 1.471 147 I CA -0.400 60.932 61.300 0.054 0.000 1.133 147 I CB -0.156 37.892 38.000 0.079 0.000 1.184 147 I HN 0.150 nan 8.210 nan 0.000 0.451 148 E N 1.986 122.203 120.200 0.029 0.000 2.183 148 E HA -0.209 4.141 4.350 -0.001 0.000 0.196 148 E C 0.511 177.131 176.600 0.034 0.000 1.364 148 E CA 0.332 56.748 56.400 0.026 0.000 0.700 148 E CB -1.124 28.592 29.700 0.027 0.000 1.106 148 E HN 0.717 nan 8.360 nan 0.000 0.347 149 A N 1.134 123.972 122.820 0.031 0.000 2.445 149 A HA 0.045 4.365 4.320 -0.001 0.000 0.242 149 A C 0.957 178.569 177.584 0.046 0.000 1.075 149 A CA 0.027 52.090 52.037 0.044 0.000 0.777 149 A CB 0.402 19.419 19.000 0.028 0.000 1.013 149 A HN 0.331 nan 8.150 nan 0.000 0.493 150 D N 0.229 120.679 120.400 0.084 0.000 2.350 150 D HA 0.364 5.004 4.640 -0.001 0.000 0.213 150 D C 0.436 176.751 176.300 0.024 0.000 1.031 150 D CA 1.418 55.473 54.000 0.091 0.000 0.861 150 D CB 0.421 41.334 40.800 0.188 0.000 0.926 150 D HN 0.726 nan 8.370 nan 0.000 0.520 151 A N 0.458 123.298 122.820 0.033 0.000 2.586 151 A HA 0.573 4.892 4.320 -0.001 0.000 0.291 151 A C -1.832 175.764 177.584 0.020 0.000 1.062 151 A CA -0.668 51.337 52.037 -0.054 0.000 0.666 151 A CB 1.249 20.245 19.000 -0.006 0.000 1.281 151 A HN 0.073 nan 8.150 nan 0.000 0.421 152 I N 0.879 121.448 120.570 -0.001 0.000 2.465 152 I HA 0.707 4.877 4.170 -0.001 0.000 0.291 152 I C 0.207 176.346 176.117 0.036 0.000 1.014 152 I CA -0.675 60.629 61.300 0.006 0.000 1.093 152 I CB 1.581 39.561 38.000 -0.033 0.000 1.267 152 I HN 1.009 nan 8.210 nan 0.000 0.431 153 A N 7.181 130.028 122.820 0.046 0.000 2.328 153 A HA 0.626 4.945 4.320 -0.001 0.000 0.284 153 A C -0.833 176.756 177.584 0.007 0.000 1.160 153 A CA -0.386 51.693 52.037 0.070 0.000 0.818 153 A CB 0.808 19.878 19.000 0.118 0.000 1.087 153 A HN 0.502 nan 8.150 nan 0.000 0.504 154 V N 5.725 125.654 119.914 0.025 0.000 2.347 154 V HA 0.274 4.394 4.120 -0.001 0.000 0.280 154 V C 0.255 176.354 176.094 0.008 0.000 1.021 154 V CA -0.610 61.670 62.300 -0.033 0.000 0.847 154 V CB 0.841 32.695 31.823 0.051 0.000 0.990 154 V HN 1.016 nan 8.190 nan 0.000 0.444 155 H N 5.172 124.249 119.070 0.011 0.000 2.487 155 H HA 0.671 5.226 4.556 -0.001 0.000 0.333 155 H C -1.279 174.090 175.328 0.069 0.000 1.114 155 H CA -0.989 55.071 56.048 0.019 0.000 1.310 155 H CB 1.632 31.372 29.762 -0.036 0.000 1.462 155 H HN 0.456 nan 8.280 nan 0.000 0.516 156 L N 3.477 124.853 121.223 0.256 0.000 2.287 156 L HA 0.179 4.518 4.340 -0.001 0.000 0.287 156 L C 0.032 177.010 176.870 0.180 0.000 1.022 156 L CA -0.772 54.220 54.840 0.254 0.000 0.814 156 L CB 1.118 43.267 42.059 0.151 0.000 1.217 156 L HN 0.744 nan 8.230 nan 0.000 0.420 157 N N 2.757 121.592 118.700 0.225 0.000 2.622 157 N HA 0.143 4.882 4.740 -0.001 0.000 0.304 157 N C -2.272 173.270 175.510 0.052 0.000 1.844 157 N CA -1.415 51.670 53.050 0.059 0.000 0.886 157 N CB 0.419 38.859 38.487 -0.078 0.000 1.366 157 N HN 0.222 nan 8.380 nan 0.000 0.491 158 P HA -0.074 nan 4.420 nan 0.000 0.220 158 P C 1.229 178.482 177.300 -0.079 0.000 1.148 158 P CA 1.219 64.231 63.100 -0.147 0.000 0.803 158 P CB 0.333 31.727 31.700 -0.509 0.000 0.782 159 A N 0.494 123.307 122.820 -0.012 0.000 1.872 159 A HA -0.201 4.119 4.320 -0.001 0.000 0.214 159 A C 2.549 180.216 177.584 0.139 0.000 1.187 159 A CA 1.609 53.679 52.037 0.057 0.000 0.614 159 A CB -1.541 17.573 19.000 0.190 0.000 0.826 159 A HN 0.203 nan 8.150 nan 0.000 0.442 160 Q N -0.083 119.792 119.800 0.126 0.000 2.077 160 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 160 Q C 1.850 177.901 176.000 0.086 0.000 0.989 160 Q CA 2.145 58.034 55.803 0.142 0.000 0.853 160 Q CB -0.224 28.534 28.738 0.034 0.000 0.907 160 Q HN 0.780 nan 8.270 nan 0.000 0.418 161 E N -0.400 119.816 120.200 0.026 0.000 2.106 161 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 161 E C 2.143 178.680 176.600 -0.104 0.000 0.984 161 E CA 1.230 57.630 56.400 0.000 0.000 0.806 161 E CB 0.039 29.770 29.700 0.051 0.000 0.750 161 E HN 0.203 nan 8.360 nan 0.000 0.458 162 V N 0.576 120.348 119.914 -0.237 0.000 2.324 162 V HA -0.252 3.868 4.120 -0.001 0.000 0.250 162 V C 1.662 177.360 176.094 -0.659 0.000 1.060 162 V CA 1.787 63.758 62.300 -0.549 0.000 1.042 162 V CB -0.371 30.904 31.823 -0.913 0.000 0.650 162 V HN 0.218 nan 8.190 nan 0.000 0.450 163 F N -0.365 119.476 119.950 -0.181 0.000 2.746 163 F HA 0.188 4.715 4.527 -0.001 0.000 0.297 163 F C 1.461 177.186 175.800 -0.125 0.000 1.113 163 F CA -0.463 57.419 58.000 -0.196 0.000 1.367 163 F CB -0.234 38.654 39.000 -0.187 0.000 1.111 163 F HN 0.263 nan 8.300 nan 0.000 0.590 164 Q N 1.870 121.705 119.800 0.058 0.000 2.394 164 Q HA 0.128 4.468 4.340 -0.001 0.000 0.248 164 Q C -2.139 173.866 176.000 0.009 0.000 0.992 164 Q CA -1.624 54.222 55.803 0.072 0.000 0.888 164 Q CB 0.577 29.380 28.738 0.108 0.000 1.257 164 Q HN -0.026 nan 8.270 nan 0.000 0.462 165 P HA -0.206 nan 4.420 nan 0.000 0.216 165 P C -0.306 177.005 177.300 0.019 0.000 1.150 165 P CA 1.608 64.712 63.100 0.008 0.000 0.837 165 P CB 0.050 31.767 31.700 0.027 0.000 0.786 166 E N 0.369 120.584 120.200 0.025 0.000 2.166 166 E HA 0.477 4.827 4.350 -0.001 0.000 0.275 166 E C 0.439 177.048 176.600 0.016 0.000 0.941 166 E CA -0.660 55.755 56.400 0.026 0.000 0.784 166 E CB 1.381 31.098 29.700 0.029 0.000 1.115 166 E HN 0.186 nan 8.360 nan 0.000 0.399 167 G N 2.739 111.547 108.800 0.013 0.000 2.760 167 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.246 167 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.246 167 G C -0.974 173.919 174.900 -0.011 0.000 1.359 167 G CA -0.073 45.029 45.100 0.003 0.000 0.861 167 G HN 0.973 nan 8.290 nan 0.000 0.541 168 E N -0.722 119.470 120.200 -0.014 0.000 2.366 168 E HA 0.643 4.993 4.350 -0.001 0.000 0.278 168 E C -2.972 173.627 176.600 -0.001 0.000 0.923 168 E CA -2.068 54.318 56.400 -0.024 0.000 0.761 168 E CB 2.726 32.409 29.700 -0.027 0.000 1.231 168 E HN 0.545 nan 8.360 nan 0.000 0.443 169 P HA 0.122 nan 4.420 nan 0.000 0.271 169 P C -0.951 176.427 177.300 0.131 0.000 1.218 169 P CA -0.057 63.124 63.100 0.135 0.000 0.780 169 P CB 0.688 32.505 31.700 0.195 0.000 0.901 170 E N 1.604 121.841 120.200 0.062 0.000 2.316 170 E HA 0.241 4.590 4.350 -0.001 0.000 0.254 170 E C -1.262 175.211 176.600 -0.212 0.000 0.902 170 E CA -0.252 56.132 56.400 -0.026 0.000 0.801 170 E CB 1.105 30.751 29.700 -0.090 0.000 1.270 170 E HN 0.430 nan 8.360 nan 0.000 0.414 171 Y N 1.157 121.455 120.300 -0.003 0.000 2.629 171 Y HA 0.157 4.706 4.550 -0.001 0.000 0.282 171 Y C -0.153 175.751 175.900 0.007 0.000 0.994 171 Y CA -0.708 57.392 58.100 -0.000 0.000 1.126 171 Y CB 0.685 39.147 38.460 0.003 0.000 1.187 171 Y HN 0.404 nan 8.280 nan 0.000 0.600 172 Q N 0.551 120.402 119.800 0.086 0.000 2.386 172 Q HA 0.067 4.406 4.340 -0.001 0.000 0.282 172 Q C 1.583 177.622 176.000 0.065 0.000 1.050 172 Q CA 0.235 56.087 55.803 0.081 0.000 0.918 172 Q CB 0.798 29.583 28.738 0.077 0.000 1.266 172 Q HN 0.653 nan 8.270 nan 0.000 0.423 173 I N -1.276 119.327 120.570 0.054 0.000 2.700 173 I HA -0.240 3.930 4.170 -0.001 0.000 0.261 173 I C 1.763 177.851 176.117 -0.049 0.000 1.219 173 I CA 1.151 62.437 61.300 -0.025 0.000 1.463 173 I CB -0.536 37.471 38.000 0.013 0.000 1.092 173 I HN 0.677 nan 8.210 nan 0.000 0.452 174 Y N 2.461 122.722 120.300 -0.064 0.000 2.241 174 Y HA -0.319 4.231 4.550 -0.001 0.000 0.286 174 Y C 2.593 178.435 175.900 -0.095 0.000 1.166 174 Y CA 1.610 59.675 58.100 -0.060 0.000 1.203 174 Y CB -0.223 38.216 38.460 -0.036 0.000 0.977 174 Y HN 0.233 nan 8.280 nan 0.000 0.529 175 A N 0.533 123.268 122.820 -0.143 0.000 1.917 175 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 175 A C 2.269 179.665 177.584 -0.313 0.000 1.182 175 A CA 2.039 53.939 52.037 -0.228 0.000 0.633 175 A CB -1.070 17.854 19.000 -0.127 0.000 0.819 175 A HN 0.586 nan 8.150 nan 0.000 0.448 176 L N -1.109 119.896 121.223 -0.363 0.000 2.109 176 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 176 L C 2.558 179.159 176.870 -0.449 0.000 1.086 176 L CA 1.443 55.972 54.840 -0.519 0.000 0.760 176 L CB -0.726 40.722 42.059 -1.018 0.000 0.910 176 L HN 0.488 nan 8.230 nan 0.000 0.437 177 E N 0.474 120.459 120.200 -0.359 0.000 2.058 177 E HA -0.294 4.055 4.350 -0.001 0.000 0.194 177 E C 2.106 178.567 176.600 -0.231 0.000 0.997 177 E CA 1.471 57.803 56.400 -0.113 0.000 0.801 177 E CB -0.052 29.611 29.700 -0.060 0.000 0.746 177 E HN 0.297 nan 8.360 nan 0.000 0.450 178 K N 0.946 121.069 120.400 -0.462 0.000 2.026 178 K HA -0.115 4.205 4.320 -0.001 0.000 0.208 178 K C 2.142 178.542 176.600 -0.333 0.000 1.048 178 K CA 0.854 56.870 56.287 -0.450 0.000 0.929 178 K CB -0.135 31.989 32.500 -0.626 0.000 0.713 178 K HN 0.077 nan 8.250 nan 0.000 0.439 179 L N 0.897 121.938 121.223 -0.303 0.000 2.042 179 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 179 L C 2.737 179.497 176.870 -0.182 0.000 1.076 179 L CA 1.442 56.126 54.840 -0.260 0.000 0.749 179 L CB -0.364 41.595 42.059 -0.166 0.000 0.893 179 L HN 0.336 nan 8.230 nan 0.000 0.432 180 R N -0.030 120.409 120.500 -0.102 0.000 2.081 180 R HA -0.200 4.139 4.340 -0.001 0.000 0.235 180 R C 1.729 177.981 176.300 -0.081 0.000 1.131 180 R CA 1.993 58.073 56.100 -0.034 0.000 0.960 180 R CB -0.241 30.116 30.300 0.095 0.000 0.856 180 R HN 0.418 nan 8.270 nan 0.000 0.436 181 D N 0.605 120.938 120.400 -0.112 0.000 2.097 181 D HA -0.138 4.502 4.640 -0.001 0.000 0.195 181 D C 1.999 178.209 176.300 -0.149 0.000 0.989 181 D CA 1.215 55.145 54.000 -0.117 0.000 0.827 181 D CB -0.243 40.484 40.800 -0.122 0.000 0.966 181 D HN 0.310 nan 8.370 nan 0.000 0.456 182 I N 1.287 121.723 120.570 -0.225 0.000 2.208 182 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 182 I C 2.390 178.393 176.117 -0.190 0.000 1.097 182 I CA 1.349 62.482 61.300 -0.278 0.000 1.363 182 I CB -0.306 37.365 38.000 -0.547 0.000 1.051 182 I HN 0.011 nan 8.210 nan 0.000 0.413 183 S N 0.298 115.904 115.700 -0.157 0.000 2.474 183 S HA -0.122 4.348 4.470 -0.001 0.000 0.235 183 S C 1.891 176.439 174.600 -0.087 0.000 0.997 183 S CA 0.668 58.804 58.200 -0.106 0.000 0.949 183 S CB -0.150 62.998 63.200 -0.087 0.000 0.766 183 S HN 0.228 nan 8.310 nan 0.000 0.517 184 K N 1.750 122.097 120.400 -0.087 0.000 2.155 184 K HA 0.099 4.418 4.320 -0.001 0.000 0.203 184 K C 1.933 178.494 176.600 -0.065 0.000 1.052 184 K CA 1.168 57.413 56.287 -0.071 0.000 0.948 184 K CB -0.253 32.207 32.500 -0.066 0.000 0.728 184 K HN 0.672 nan 8.250 nan 0.000 0.448 185 E N -0.264 119.892 120.200 -0.073 0.000 2.476 185 E HA 0.026 4.376 4.350 -0.001 0.000 0.199 185 E C 0.051 176.620 176.600 -0.052 0.000 1.021 185 E CA -0.200 56.163 56.400 -0.061 0.000 0.907 185 E CB 0.137 29.797 29.700 -0.065 0.000 0.974 185 E HN 0.011 nan 8.360 nan 0.000 0.489 186 L N 2.113 123.302 121.223 -0.057 0.000 2.375 186 L HA 0.087 4.427 4.340 -0.001 0.000 0.271 186 L C 1.120 177.962 176.870 -0.046 0.000 1.107 186 L CA 0.108 54.925 54.840 -0.039 0.000 0.806 186 L CB 1.587 43.628 42.059 -0.029 0.000 1.146 186 L HN -0.087 nan 8.230 nan 0.000 0.447 187 S N 1.118 116.794 115.700 -0.039 0.000 2.540 187 S HA 0.236 4.705 4.470 -0.001 0.000 0.218 187 S C 0.122 174.681 174.600 -0.067 0.000 0.977 187 S CA 0.088 58.260 58.200 -0.047 0.000 0.918 187 S CB -0.394 62.786 63.200 -0.032 0.000 0.806 187 S HN 0.405 nan 8.310 nan 0.000 0.496 188 V N -1.936 117.929 119.914 -0.081 0.000 2.960 188 V HA 0.770 4.890 4.120 -0.001 0.000 0.315 188 V C -3.223 172.750 176.094 -0.202 0.000 1.087 188 V CA -2.901 59.314 62.300 -0.141 0.000 0.982 188 V CB 1.062 32.821 31.823 -0.106 0.000 1.039 188 V HN -0.067 nan 8.190 nan 0.000 0.437 189 P HA 0.484 nan 4.420 nan 0.000 0.274 189 P C -0.714 176.426 177.300 -0.267 0.000 1.231 189 P CA -0.146 62.700 63.100 -0.423 0.000 0.790 189 P CB 0.464 31.628 31.700 -0.894 0.000 0.951 190 I N 2.025 122.509 120.570 -0.144 0.000 2.331 190 I HA 0.308 4.477 4.170 -0.001 0.000 0.292 190 I C 0.255 176.358 176.117 -0.023 0.000 0.998 190 I CA -0.449 60.827 61.300 -0.039 0.000 1.267 190 I CB 0.595 38.598 38.000 0.005 0.000 1.386 190 I HN 0.098 nan 8.210 nan 0.000 0.476 191 I N 6.645 127.242 120.570 0.044 0.000 2.354 191 I HA 0.327 4.496 4.170 -0.001 0.000 0.292 191 I C -0.419 175.724 176.117 0.043 0.000 0.989 191 I CA -0.860 60.482 61.300 0.071 0.000 1.188 191 I CB 1.663 39.780 38.000 0.194 0.000 1.342 191 I HN 0.166 nan 8.210 nan 0.000 0.457 192 V N 6.947 126.852 119.914 -0.015 0.000 2.407 192 V HA 0.352 4.472 4.120 -0.001 0.000 0.278 192 V C 0.077 176.259 176.094 0.145 0.000 1.037 192 V CA -0.547 61.794 62.300 0.067 0.000 0.900 192 V CB 1.233 33.104 31.823 0.079 0.000 0.983 192 V HN 0.779 nan 8.190 nan 0.000 0.459 193 K N 3.509 123.999 120.400 0.150 0.000 2.385 193 K HA 0.715 5.035 4.320 -0.001 0.000 0.248 193 K C -0.540 176.146 176.600 0.143 0.000 0.955 193 K CA -0.881 55.497 56.287 0.152 0.000 0.816 193 K CB 2.776 35.358 32.500 0.136 0.000 1.250 193 K HN 0.398 nan 8.250 nan 0.000 0.434 194 E N 0.520 120.789 120.200 0.114 0.000 3.099 194 E HA 0.304 4.654 4.350 -0.001 0.000 0.259 194 E C -0.481 176.141 176.600 0.036 0.000 1.274 194 E CA -0.554 55.896 56.400 0.083 0.000 1.111 194 E CB 1.427 31.170 29.700 0.072 0.000 1.327 194 E HN 0.678 nan 8.360 nan 0.000 0.652 195 S N -0.916 114.780 115.700 -0.006 0.000 2.825 195 S HA 0.378 4.848 4.470 -0.001 0.000 0.242 195 S C 0.326 174.935 174.600 0.015 0.000 0.980 195 S CA 0.132 58.264 58.200 -0.112 0.000 1.107 195 S CB 0.901 63.887 63.200 -0.358 0.000 1.172 195 S HN 0.690 nan 8.310 nan 0.000 0.483 196 G N 2.059 110.924 108.800 0.109 0.000 2.229 196 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.189 196 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.189 196 G C 0.362 175.339 174.900 0.128 0.000 1.000 196 G CA -0.154 45.055 45.100 0.183 0.000 0.663 196 G HN 0.483 nan 8.290 nan 0.000 0.493 197 N N 0.803 119.567 118.700 0.107 0.000 2.159 197 N HA 0.404 5.143 4.740 -0.001 0.000 0.217 197 N C 0.952 176.486 175.510 0.040 0.000 1.223 197 N CA 1.046 54.162 53.050 0.110 0.000 0.896 197 N CB 1.736 40.355 38.487 0.221 0.000 1.064 197 N HN 1.514 nan 8.380 nan 0.000 0.518 198 G N 1.662 110.475 108.800 0.022 0.000 2.705 198 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.686 198 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.686 198 G C -0.850 174.057 174.900 0.012 0.000 1.285 198 G CA -0.778 44.312 45.100 -0.015 0.000 0.800 198 G HN 0.123 nan 8.290 nan 0.000 0.611 199 I N 1.842 122.414 120.570 0.002 0.000 2.339 199 I HA 0.446 4.615 4.170 -0.001 0.000 0.290 199 I C 1.060 177.174 176.117 -0.005 0.000 0.994 199 I CA -0.445 60.864 61.300 0.015 0.000 1.191 199 I CB 1.681 39.696 38.000 0.025 0.000 1.343 199 I HN 0.820 nan 8.210 nan 0.000 0.458 200 S N 6.010 121.724 115.700 0.024 0.000 2.693 200 S HA 0.342 4.812 4.470 -0.001 0.000 0.276 200 S C 1.159 175.771 174.600 0.020 0.000 1.192 200 S CA -0.863 57.367 58.200 0.049 0.000 0.994 200 S CB 1.394 64.639 63.200 0.074 0.000 1.012 200 S HN 0.810 nan 8.310 nan 0.000 0.550 201 M N -0.564 119.063 119.600 0.046 0.000 2.213 201 M HA -0.052 4.427 4.480 -0.001 0.000 0.263 201 M C 1.283 177.602 176.300 0.032 0.000 1.062 201 M CA 1.793 57.111 55.300 0.029 0.000 1.105 201 M CB -0.982 31.665 32.600 0.078 0.000 1.385 201 M HN 0.653 nan 8.290 nan 0.000 0.417 202 E N 1.289 121.520 120.200 0.052 0.000 2.077 202 E HA -0.105 4.244 4.350 -0.001 0.000 0.193 202 E C 2.055 178.702 176.600 0.079 0.000 0.989 202 E CA 2.224 58.663 56.400 0.065 0.000 0.800 202 E CB -0.634 29.105 29.700 0.066 0.000 0.746 202 E HN 0.544 nan 8.360 nan 0.000 0.452 203 T N 0.414 115.011 114.554 0.072 0.000 2.737 203 T HA -0.116 4.233 4.350 -0.001 0.000 0.265 203 T C 1.924 176.689 174.700 0.110 0.000 1.038 203 T CA 1.247 63.404 62.100 0.095 0.000 1.144 203 T CB -0.395 68.524 68.868 0.085 0.000 0.866 203 T HN 0.284 nan 8.240 nan 0.000 0.434 204 A N 1.979 124.800 122.820 0.002 0.000 1.865 204 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 204 A C 2.245 179.865 177.584 0.061 0.000 1.191 204 A CA 1.853 53.797 52.037 -0.155 0.000 0.623 204 A CB -0.554 18.165 19.000 -0.469 0.000 0.826 204 A HN 0.458 nan 8.150 nan 0.000 0.444 205 K N -1.015 119.422 120.400 0.062 0.000 2.044 205 K HA -0.178 4.141 4.320 -0.001 0.000 0.210 205 K C 1.956 178.703 176.600 0.246 0.000 1.049 205 K CA 1.530 57.907 56.287 0.152 0.000 0.927 205 K CB -0.452 32.104 32.500 0.094 0.000 0.713 205 K HN 0.389 nan 8.250 nan 0.000 0.443 206 L N 1.537 122.893 121.223 0.221 0.000 1.989 206 L HA -0.183 4.156 4.340 -0.001 0.000 0.211 206 L C 1.975 179.070 176.870 0.376 0.000 1.071 206 L CA 1.567 56.572 54.840 0.275 0.000 0.749 206 L CB -0.414 41.779 42.059 0.223 0.000 0.890 206 L HN 0.142 nan 8.230 nan 0.000 0.431 207 L N -1.897 119.541 121.223 0.358 0.000 2.042 207 L HA -0.283 4.056 4.340 -0.001 0.000 0.210 207 L C 2.521 179.646 176.870 0.426 0.000 1.076 207 L CA 1.736 56.813 54.840 0.395 0.000 0.749 207 L CB -0.866 41.486 42.059 0.487 0.000 0.893 207 L HN 0.353 nan 8.230 nan 0.000 0.432 208 Y N 0.898 121.408 120.300 0.350 0.000 2.224 208 Y HA -0.297 4.252 4.550 -0.001 0.000 0.289 208 Y C 2.937 178.929 175.900 0.152 0.000 1.146 208 Y CA 1.499 59.763 58.100 0.275 0.000 1.182 208 Y CB -0.280 38.336 38.460 0.261 0.000 0.983 208 Y HN 0.279 nan 8.280 nan 0.000 0.524 209 S N -1.393 114.395 115.700 0.146 0.000 2.469 209 S HA -0.225 4.244 4.470 -0.001 0.000 0.238 209 S C 1.231 175.674 174.600 -0.261 0.000 0.998 209 S CA 1.149 59.305 58.200 -0.074 0.000 0.957 209 S CB -0.986 62.195 63.200 -0.032 0.000 0.764 209 S HN 0.545 nan 8.310 nan 0.000 0.514 210 Y N 1.445 121.729 120.300 -0.027 0.000 2.524 210 Y HA 0.446 4.996 4.550 -0.001 0.000 0.266 210 Y C 1.814 177.662 175.900 -0.088 0.000 1.180 210 Y CA -0.148 57.923 58.100 -0.047 0.000 1.244 210 Y CB 0.288 38.739 38.460 -0.015 0.000 1.125 210 Y HN 0.418 nan 8.280 nan 0.000 0.524 211 G N 0.033 108.792 108.800 -0.068 0.000 2.175 211 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 211 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 211 G C -0.073 174.787 174.900 -0.065 0.000 0.982 211 G CA -0.283 44.743 45.100 -0.124 0.000 0.641 211 G HN 0.091 nan 8.290 nan 0.000 0.527 212 I N 0.554 121.131 120.570 0.013 0.000 2.471 212 I HA 0.326 4.496 4.170 -0.001 0.000 0.286 212 I C 1.092 177.214 176.117 0.008 0.000 1.079 212 I CA 0.437 61.714 61.300 -0.039 0.000 1.398 212 I CB 1.175 39.137 38.000 -0.063 0.000 1.403 212 I HN 0.144 nan 8.210 nan 0.000 0.530 213 K N 3.709 124.061 120.400 -0.080 0.000 2.440 213 K HA 0.222 4.541 4.320 -0.001 0.000 0.207 213 K C -0.269 176.330 176.600 -0.002 0.000 1.112 213 K CA -0.039 56.328 56.287 0.133 0.000 1.036 213 K CB 0.655 33.281 32.500 0.209 0.000 0.935 213 K HN 0.511 nan 8.250 nan 0.000 0.564 214 N N 0.706 119.228 118.700 -0.295 0.000 2.372 214 N HA 0.366 5.106 4.740 -0.001 0.000 0.285 214 N C -1.223 174.021 175.510 -0.443 0.000 1.008 214 N CA -0.206 52.797 53.050 -0.078 0.000 0.880 214 N CB 1.316 39.950 38.487 0.246 0.000 1.239 214 N HN -0.133 nan 8.380 nan 0.000 0.484 215 F N -0.099 119.918 119.950 0.112 0.000 2.588 215 F HA 0.276 4.803 4.527 -0.001 0.000 0.310 215 F C -0.137 175.673 175.800 0.016 0.000 1.082 215 F CA -0.945 57.098 58.000 0.071 0.000 0.929 215 F CB 2.218 41.250 39.000 0.054 0.000 1.254 215 F HN 0.211 nan 8.300 nan 0.000 0.455 216 D N 0.583 121.115 120.400 0.220 0.000 2.505 216 D HA 0.184 4.824 4.640 -0.001 0.000 0.250 216 D C 0.844 177.217 176.300 0.122 0.000 1.164 216 D CA -0.325 53.752 54.000 0.129 0.000 0.870 216 D CB 1.619 42.492 40.800 0.122 0.000 1.160 216 D HN 0.607 nan 8.370 nan 0.000 0.549 217 T N 0.948 115.548 114.554 0.077 0.000 2.665 217 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 217 T C 1.206 175.929 174.700 0.038 0.000 1.035 217 T CA 1.285 63.411 62.100 0.043 0.000 1.151 217 T CB -0.598 68.267 68.868 -0.004 0.000 0.862 217 T HN 0.548 nan 8.240 nan 0.000 0.438 218 S N 1.364 117.088 115.700 0.041 0.000 3.378 218 S HA -0.060 4.410 4.470 -0.001 0.000 0.365 218 S C 0.568 175.183 174.600 0.026 0.000 0.951 218 S CA 0.255 58.482 58.200 0.045 0.000 1.274 218 S CB -1.705 61.531 63.200 0.059 0.000 0.915 218 S HN 1.171 nan 8.310 nan 0.000 0.513 219 G N 1.305 110.098 108.800 -0.012 0.000 2.588 219 G HA2 0.503 4.463 3.960 -0.001 0.000 0.281 219 G HA3 0.503 4.463 3.960 -0.001 0.000 0.281 219 G C -0.045 174.828 174.900 -0.045 0.000 1.236 219 G CA -0.303 44.761 45.100 -0.060 0.000 0.969 219 G HN 0.907 nan 8.290 nan 0.000 0.504 220 Q N -1.596 118.151 119.800 -0.089 0.000 2.417 220 Q HA 0.503 4.842 4.340 -0.001 0.000 0.241 220 Q C 0.799 176.751 176.000 -0.080 0.000 1.008 220 Q CA 0.069 55.835 55.803 -0.061 0.000 0.901 220 Q CB 1.086 29.776 28.738 -0.080 0.000 1.259 220 Q HN 1.475 nan 8.270 nan 0.000 0.489 221 G N 0.060 108.836 108.800 -0.040 0.000 2.231 221 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.206 221 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.206 221 G C 0.240 175.132 174.900 -0.015 0.000 0.996 221 G CA -0.257 44.825 45.100 -0.029 0.000 0.645 221 G HN 1.041 nan 8.290 nan 0.000 0.498 222 G N -0.388 108.408 108.800 -0.007 0.000 3.134 222 G HA2 0.519 4.479 3.960 -0.001 0.000 0.158 222 G HA3 0.519 4.479 3.960 -0.001 0.000 0.158 222 G C 0.199 175.085 174.900 -0.023 0.000 1.334 222 G CA 0.545 45.642 45.100 -0.004 0.000 1.001 222 G HN 0.648 nan 8.290 nan 0.000 0.600 223 T N 0.885 115.424 114.554 -0.025 0.000 2.822 223 T HA 0.043 4.393 4.350 -0.001 0.000 0.288 223 T C 0.250 174.880 174.700 -0.117 0.000 0.991 223 T CA 0.674 62.702 62.100 -0.120 0.000 1.176 223 T CB -0.173 68.625 68.868 -0.117 0.000 0.951 223 T HN 0.429 nan 8.240 nan 0.000 0.526 224 N N 2.276 120.855 118.700 -0.202 0.000 2.500 224 N HA 0.212 4.952 4.740 -0.001 0.000 0.236 224 N C 0.395 175.776 175.510 -0.216 0.000 1.022 224 N CA -0.662 52.320 53.050 -0.113 0.000 0.935 224 N CB 0.426 38.864 38.487 -0.082 0.000 1.147 224 N HN 0.663 nan 8.380 nan 0.000 0.512 225 W N 2.999 124.279 121.300 -0.033 0.000 2.436 225 W HA 0.074 4.733 4.660 -0.001 0.000 0.284 225 W C 1.594 178.095 176.519 -0.030 0.000 1.225 225 W CA 0.118 57.433 57.345 -0.051 0.000 1.271 225 W CB 0.044 29.467 29.460 -0.062 0.000 1.114 225 W HN 0.573 nan 8.180 nan 0.000 0.559 226 I N 0.127 120.793 120.570 0.161 0.000 2.208 226 I HA -0.339 3.830 4.170 -0.001 0.000 0.245 226 I C 2.569 178.646 176.117 -0.066 0.000 1.097 226 I CA 1.479 62.791 61.300 0.021 0.000 1.363 226 I CB -0.954 37.005 38.000 -0.069 0.000 1.051 226 I HN -0.046 nan 8.210 nan 0.000 0.413 227 A N 0.962 123.738 122.820 -0.075 0.000 1.902 227 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 227 A C 2.311 179.833 177.584 -0.103 0.000 1.181 227 A CA 1.489 53.467 52.037 -0.099 0.000 0.623 227 A CB -0.808 18.128 19.000 -0.107 0.000 0.818 227 A HN 0.378 nan 8.150 nan 0.000 0.443 228 I N -0.326 120.152 120.570 -0.153 0.000 2.179 228 I HA -0.226 3.944 4.170 -0.001 0.000 0.242 228 I C 2.418 178.538 176.117 0.005 0.000 1.088 228 I CA 1.327 62.531 61.300 -0.159 0.000 1.357 228 I CB -0.284 37.456 38.000 -0.433 0.000 1.051 228 I HN 0.275 nan 8.210 nan 0.000 0.409 229 E N 0.211 120.456 120.200 0.075 0.000 2.106 229 E HA -0.237 4.112 4.350 -0.001 0.000 0.192 229 E C 2.048 178.674 176.600 0.043 0.000 0.984 229 E CA 1.084 57.556 56.400 0.119 0.000 0.806 229 E CB -0.416 29.391 29.700 0.179 0.000 0.750 229 E HN 0.503 nan 8.360 nan 0.000 0.458 230 M N 0.368 119.958 119.600 -0.017 0.000 2.082 230 M HA -0.205 4.274 4.480 -0.001 0.000 0.258 230 M C 2.168 178.454 176.300 -0.024 0.000 1.069 230 M CA 1.560 56.832 55.300 -0.047 0.000 1.102 230 M CB -0.145 32.404 32.600 -0.084 0.000 1.336 230 M HN 0.031 nan 8.290 nan 0.000 0.404 231 I N -0.152 120.405 120.570 -0.022 0.000 2.208 231 I HA -0.338 3.832 4.170 -0.001 0.000 0.245 231 I C 2.483 178.604 176.117 0.007 0.000 1.097 231 I CA 1.463 62.755 61.300 -0.012 0.000 1.363 231 I CB -0.423 37.563 38.000 -0.023 0.000 1.051 231 I HN 0.332 nan 8.210 nan 0.000 0.413 232 R N 0.481 120.997 120.500 0.026 0.000 2.096 232 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 232 R C 1.892 178.205 176.300 0.022 0.000 1.127 232 R CA 1.595 57.715 56.100 0.034 0.000 0.968 232 R CB -0.409 29.931 30.300 0.066 0.000 0.861 232 R HN 0.389 nan 8.270 nan 0.000 0.440 233 D N 0.709 121.118 120.400 0.014 0.000 2.097 233 D HA -0.116 4.523 4.640 -0.001 0.000 0.197 233 D C 1.953 178.258 176.300 0.008 0.000 0.984 233 D CA 1.060 55.059 54.000 -0.001 0.000 0.826 233 D CB -0.196 40.584 40.800 -0.034 0.000 0.973 233 D HN 0.177 nan 8.370 nan 0.000 0.460 234 I N 0.617 121.190 120.570 0.005 0.000 2.163 234 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 234 I C 2.521 178.648 176.117 0.017 0.000 1.085 234 I CA 1.097 62.403 61.300 0.011 0.000 1.347 234 I CB -0.101 37.901 38.000 0.004 0.000 1.044 234 I HN -0.105 nan 8.210 nan 0.000 0.408 235 R N 0.715 121.224 120.500 0.014 0.000 2.117 235 R HA -0.166 4.174 4.340 -0.001 0.000 0.243 235 R C 1.841 178.154 176.300 0.021 0.000 1.143 235 R CA 1.407 57.516 56.100 0.016 0.000 0.968 235 R CB -0.199 30.109 30.300 0.013 0.000 0.863 235 R HN 0.457 nan 8.270 nan 0.000 0.444 236 R N -0.822 119.693 120.500 0.026 0.000 2.466 236 R HA 0.217 4.557 4.340 -0.001 0.000 0.279 236 R C 0.491 176.820 176.300 0.048 0.000 0.976 236 R CA 0.560 56.680 56.100 0.034 0.000 1.081 236 R CB 0.347 30.667 30.300 0.033 0.000 1.215 236 R HN 0.175 nan 8.270 nan 0.000 0.546 237 G N 1.788 110.616 108.800 0.047 0.000 2.233 237 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.270 237 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.270 237 G C -0.264 174.695 174.900 0.099 0.000 1.011 237 G CA 0.493 45.631 45.100 0.063 0.000 0.762 237 G HN 0.601 nan 8.290 nan 0.000 0.511 238 N N 0.568 119.321 118.700 0.088 0.000 2.513 238 N HA 0.106 4.845 4.740 -0.001 0.000 0.268 238 N C 1.856 177.420 175.510 0.091 0.000 1.180 238 N CA 0.069 53.189 53.050 0.117 0.000 0.948 238 N CB 0.224 38.731 38.487 0.034 0.000 1.083 238 N HN 0.413 nan 8.380 nan 0.000 0.455 239 W N 5.079 126.398 121.300 0.032 0.000 2.363 239 W HA -0.082 4.578 4.660 0.001 0.000 0.296 239 W C 0.854 177.403 176.519 0.051 0.000 1.212 239 W CA 0.398 57.764 57.345 0.035 0.000 1.260 239 W CB -0.750 28.727 29.460 0.028 0.000 1.131 239 W HN 0.510 nan 8.180 nan 0.000 0.530 240 K N 1.117 121.030 120.400 -0.812 0.000 2.360 240 K HA -0.078 4.242 4.320 -0.001 0.000 0.201 240 K C 2.478 178.949 176.600 -0.215 0.000 1.046 240 K CA 1.485 57.379 56.287 -0.655 0.000 0.940 240 K CB -0.422 31.679 32.500 -0.666 0.000 0.748 240 K HN 0.166 nan 8.250 nan 0.000 0.465 241 A N 2.549 125.290 122.820 -0.131 0.000 1.892 241 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 241 A C 2.036 179.594 177.584 -0.043 0.000 1.188 241 A CA 2.035 54.034 52.037 -0.063 0.000 0.631 241 A CB -0.442 18.543 19.000 -0.025 0.000 0.822 241 A HN 0.551 nan 8.150 nan 0.000 0.447 242 E N -0.759 119.438 120.200 -0.005 0.000 2.285 242 E HA -0.030 4.320 4.350 -0.001 0.000 0.194 242 E C 1.828 178.452 176.600 0.039 0.000 0.997 242 E CA 1.082 57.495 56.400 0.022 0.000 0.845 242 E CB -0.300 29.432 29.700 0.054 0.000 0.782 242 E HN 0.457 nan 8.360 nan 0.000 0.491 243 S N 1.448 117.173 115.700 0.042 0.000 2.368 243 S HA -0.034 4.436 4.470 -0.001 0.000 0.224 243 S C 2.194 176.823 174.600 0.048 0.000 1.029 243 S CA 0.978 59.253 58.200 0.125 0.000 0.988 243 S CB -0.171 63.108 63.200 0.130 0.000 0.838 243 S HN 0.502 nan 8.310 nan 0.000 0.462 244 A N 1.835 124.528 122.820 -0.213 0.000 1.908 244 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 244 A C 2.004 179.397 177.584 -0.318 0.000 1.181 244 A CA 1.915 53.540 52.037 -0.687 0.000 0.627 244 A CB -0.586 18.137 19.000 -0.462 0.000 0.818 244 A HN 0.467 nan 8.150 nan 0.000 0.445 245 K N -0.126 120.197 120.400 -0.130 0.000 2.074 245 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 245 K C 1.697 178.287 176.600 -0.017 0.000 1.048 245 K CA 1.980 58.232 56.287 -0.058 0.000 0.926 245 K CB -0.335 32.150 32.500 -0.025 0.000 0.713 245 K HN 0.659 nan 8.250 nan 0.000 0.444 246 N N -0.928 117.793 118.700 0.036 0.000 2.364 246 N HA -0.126 4.614 4.740 -0.001 0.000 0.183 246 N C 0.613 176.086 175.510 -0.061 0.000 1.022 246 N CA 0.861 53.922 53.050 0.020 0.000 0.883 246 N CB 0.026 38.554 38.487 0.068 0.000 0.965 246 N HN 0.102 nan 8.380 nan 0.000 0.438 247 F N 0.169 120.034 119.950 -0.142 0.000 2.641 247 F HA 0.305 4.831 4.527 -0.001 0.000 0.302 247 F C 1.239 177.017 175.800 -0.037 0.000 1.098 247 F CA -0.239 57.714 58.000 -0.078 0.000 1.318 247 F CB 0.025 38.850 39.000 -0.292 0.000 1.035 247 F HN -0.027 nan 8.300 nan 0.000 0.551 248 L N 0.494 121.750 121.223 0.055 0.000 2.129 248 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 248 L C 1.554 178.470 176.870 0.076 0.000 1.087 248 L CA 1.578 56.437 54.840 0.032 0.000 0.757 248 L CB -0.357 41.696 42.059 -0.009 0.000 0.896 248 L HN 0.234 nan 8.230 nan 0.000 0.434 249 D N -2.502 117.956 120.400 0.095 0.000 2.424 249 D HA -0.095 4.544 4.640 -0.001 0.000 0.220 249 D C 0.381 176.751 176.300 0.118 0.000 1.150 249 D CA -0.469 53.577 54.000 0.077 0.000 0.831 249 D CB -0.318 40.505 40.800 0.039 0.000 0.981 249 D HN 0.164 nan 8.370 nan 0.000 0.500 250 W N 1.855 123.178 121.300 0.038 0.000 2.210 250 W HA 0.385 5.045 4.660 -0.000 0.000 0.330 250 W C 0.343 176.906 176.519 0.074 0.000 1.334 250 W CA 1.969 59.372 57.345 0.096 0.000 1.227 250 W CB 0.806 30.424 29.460 0.264 0.000 1.178 250 W HN 0.258 nan 8.180 nan 0.000 0.560 251 G N 2.509 111.035 108.800 -0.456 0.000 2.355 251 G HA2 0.016 3.975 3.960 -0.001 0.000 0.619 251 G HA3 0.016 3.975 3.960 -0.001 0.000 0.619 251 G C -2.099 172.642 174.900 -0.266 0.000 1.337 251 G CA -1.051 43.903 45.100 -0.244 0.000 0.993 251 G HN 0.527 nan 8.290 nan 0.000 0.599 252 V N 2.041 121.826 119.914 -0.216 0.000 2.406 252 V HA 0.456 4.576 4.120 -0.001 0.000 0.272 252 V C -1.727 174.073 176.094 -0.490 0.000 1.043 252 V CA -1.182 60.905 62.300 -0.356 0.000 0.915 252 V CB 1.448 33.158 31.823 -0.189 0.000 0.988 252 V HN 0.597 nan 8.190 nan 0.000 0.466 253 P HA 0.103 nan 4.420 nan 0.000 0.267 253 P C 1.147 178.151 177.300 -0.494 0.000 1.200 253 P CA 0.186 62.847 63.100 -0.731 0.000 0.772 253 P CB 0.497 31.379 31.700 -1.363 0.000 0.855 254 T N 1.996 116.380 114.554 -0.283 0.000 2.653 254 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 254 T C 1.752 176.346 174.700 -0.177 0.000 1.035 254 T CA 2.300 64.296 62.100 -0.174 0.000 1.154 254 T CB -0.704 68.109 68.868 -0.091 0.000 0.862 254 T HN 0.483 nan 8.240 nan 0.000 0.441 255 A N 1.247 123.964 122.820 -0.171 0.000 1.902 255 A HA 0.173 4.492 4.320 -0.001 0.000 0.217 255 A C 2.644 180.106 177.584 -0.203 0.000 1.181 255 A CA 1.848 53.812 52.037 -0.122 0.000 0.623 255 A CB -1.066 17.913 19.000 -0.035 0.000 0.818 255 A HN 0.527 nan 8.150 nan 0.000 0.443 256 A N -0.997 121.587 122.820 -0.394 0.000 1.969 256 A HA -0.063 4.257 4.320 -0.001 0.000 0.218 256 A C 2.448 179.823 177.584 -0.349 0.000 1.169 256 A CA 2.057 53.758 52.037 -0.559 0.000 0.635 256 A CB -0.773 17.400 19.000 -1.379 0.000 0.810 256 A HN 0.538 nan 8.150 nan 0.000 0.445 257 S N -0.490 115.030 115.700 -0.299 0.000 2.387 257 S HA -0.072 4.397 4.470 -0.001 0.000 0.226 257 S C 1.891 176.439 174.600 -0.088 0.000 1.026 257 S CA 1.109 59.214 58.200 -0.160 0.000 0.972 257 S CB -0.520 62.594 63.200 -0.143 0.000 0.814 257 S HN 0.488 nan 8.310 nan 0.000 0.477 258 I N 1.461 121.984 120.570 -0.079 0.000 2.118 258 I HA -0.282 3.887 4.170 -0.001 0.000 0.241 258 I C 2.605 178.745 176.117 0.039 0.000 1.070 258 I CA 1.731 63.021 61.300 -0.017 0.000 1.327 258 I CB -0.390 37.606 38.000 -0.006 0.000 1.034 258 I HN 0.373 nan 8.210 nan 0.000 0.405 259 M N -0.153 119.438 119.600 -0.015 0.000 2.080 259 M HA -0.236 4.243 4.480 -0.001 0.000 0.260 259 M C 2.262 178.603 176.300 0.068 0.000 1.068 259 M CA 1.837 57.108 55.300 -0.049 0.000 1.109 259 M CB -0.627 31.748 32.600 -0.375 0.000 1.342 259 M HN 0.206 nan 8.290 nan 0.000 0.405 260 E N -0.101 120.113 120.200 0.023 0.000 2.085 260 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 260 E C 2.090 178.730 176.600 0.068 0.000 0.994 260 E CA 1.551 57.999 56.400 0.080 0.000 0.801 260 E CB -0.202 29.543 29.700 0.075 0.000 0.743 260 E HN 0.359 nan 8.360 nan 0.000 0.453 261 V N 0.937 120.845 119.914 -0.011 0.000 2.407 261 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 261 V C 2.384 178.448 176.094 -0.049 0.000 1.041 261 V CA 1.699 63.923 62.300 -0.127 0.000 1.040 261 V CB -0.439 31.250 31.823 -0.224 0.000 0.671 261 V HN 0.105 nan 8.190 nan 0.000 0.455 262 R N -0.417 120.122 120.500 0.066 0.000 2.091 262 R HA -0.217 4.122 4.340 -0.001 0.000 0.238 262 R C 2.256 178.636 176.300 0.133 0.000 1.136 262 R CA 1.926 58.084 56.100 0.097 0.000 0.959 262 R CB -0.761 29.633 30.300 0.156 0.000 0.856 262 R HN 0.551 nan 8.270 nan 0.000 0.437 263 Y N 0.497 120.884 120.300 0.144 0.000 2.145 263 Y HA -0.182 4.368 4.550 -0.001 0.000 0.286 263 Y C 2.405 178.311 175.900 0.010 0.000 1.145 263 Y CA 2.082 60.259 58.100 0.129 0.000 1.148 263 Y CB -0.259 38.319 38.460 0.198 0.000 0.981 263 Y HN 0.305 nan 8.280 nan 0.000 0.507 264 S N -1.290 114.426 115.700 0.028 0.000 2.478 264 S HA 0.045 4.515 4.470 -0.001 0.000 0.222 264 S C 0.646 175.115 174.600 -0.218 0.000 1.008 264 S CA 0.361 58.501 58.200 -0.100 0.000 0.928 264 S CB 0.012 63.204 63.200 -0.014 0.000 0.781 264 S HN 0.164 nan 8.310 nan 0.000 0.518 265 V N 2.353 122.129 119.914 -0.229 0.000 2.383 265 V HA 0.498 4.618 4.120 -0.001 0.000 0.261 265 V C -2.587 173.399 176.094 -0.180 0.000 0.987 265 V CA -1.975 60.133 62.300 -0.321 0.000 0.853 265 V CB 1.421 32.956 31.823 -0.479 0.000 1.095 265 V HN -0.001 nan 8.190 nan 0.000 0.461 266 P HA -0.087 nan 4.420 nan 0.000 0.219 266 P C 0.766 178.040 177.300 -0.045 0.000 1.146 266 P CA 1.534 64.573 63.100 -0.101 0.000 0.808 266 P CB 0.112 31.739 31.700 -0.122 0.000 0.779 267 D N -1.614 118.769 120.400 -0.028 0.000 2.342 267 D HA 0.000 4.640 4.640 -0.001 0.000 0.221 267 D C 0.074 176.446 176.300 0.121 0.000 1.101 267 D CA -0.041 53.986 54.000 0.045 0.000 0.837 267 D CB -0.727 40.111 40.800 0.063 0.000 0.938 267 D HN 0.093 nan 8.370 nan 0.000 0.508 268 S N 0.084 115.864 115.700 0.133 0.000 2.573 268 S HA 0.185 4.654 4.470 -0.001 0.000 0.277 268 S C -0.097 174.658 174.600 0.257 0.000 1.346 268 S CA -0.873 57.487 58.200 0.268 0.000 1.034 268 S CB 0.431 63.848 63.200 0.362 0.000 0.879 268 S HN 0.210 nan 8.310 nan 0.000 0.528 269 F N 2.457 122.480 119.950 0.123 0.000 2.411 269 F HA 0.646 5.172 4.527 -0.001 0.000 0.350 269 F C -0.749 175.105 175.800 0.091 0.000 1.114 269 F CA -1.497 56.521 58.000 0.030 0.000 1.135 269 F CB 0.893 39.846 39.000 -0.078 0.000 1.120 269 F HN 0.562 nan 8.300 nan 0.000 0.495 270 L N 7.761 128.652 121.223 -0.554 0.000 2.376 270 L HA 0.577 4.917 4.340 -0.001 0.000 0.275 270 L C -1.530 175.080 176.870 -0.433 0.000 0.987 270 L CA -0.731 53.921 54.840 -0.314 0.000 0.828 270 L CB 1.704 43.712 42.059 -0.084 0.000 1.249 270 L HN 0.398 nan 8.230 nan 0.000 0.409 271 V N 4.284 124.035 119.914 -0.272 0.000 2.370 271 V HA 0.629 4.749 4.120 -0.001 0.000 0.279 271 V C 0.810 176.877 176.094 -0.045 0.000 1.029 271 V CA -0.413 61.800 62.300 -0.145 0.000 0.870 271 V CB 1.167 32.969 31.823 -0.034 0.000 0.984 271 V HN 0.904 nan 8.190 nan 0.000 0.451 272 G N 3.591 112.371 108.800 -0.033 0.000 2.350 272 G HA2 0.566 4.526 3.960 -0.001 0.000 0.306 272 G HA3 0.566 4.526 3.960 -0.001 0.000 0.306 272 G C -0.002 174.905 174.900 0.011 0.000 1.094 272 G CA 0.114 45.209 45.100 -0.010 0.000 0.953 272 G HN 0.919 nan 8.290 nan 0.000 0.420 273 S N 0.882 116.594 115.700 0.019 0.000 2.685 273 S HA 0.885 5.354 4.470 -0.001 0.000 0.282 273 S C -0.126 174.490 174.600 0.026 0.000 1.159 273 S CA -0.307 57.914 58.200 0.035 0.000 0.833 273 S CB 1.889 65.124 63.200 0.058 0.000 1.151 273 S HN 2.268 nan 8.310 nan 0.000 0.485 274 G N -0.629 108.193 108.800 0.037 0.000 2.798 274 G HA2 0.458 4.417 3.960 -0.001 0.000 0.658 274 G HA3 0.458 4.417 3.960 -0.001 0.000 0.658 274 G C 0.893 175.802 174.900 0.015 0.000 1.148 274 G CA 0.201 45.319 45.100 0.030 0.000 1.200 274 G HN 2.513 nan 8.290 nan 0.000 0.519 275 G N 0.197 109.011 108.800 0.023 0.000 2.160 275 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.244 275 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.244 275 G C 0.403 175.318 174.900 0.026 0.000 1.022 275 G CA 0.243 45.353 45.100 0.016 0.000 0.741 275 G HN 1.534 nan 8.290 nan 0.000 0.508 276 I N 0.664 121.258 120.570 0.041 0.000 2.421 276 I HA 0.299 4.468 4.170 -0.001 0.000 0.291 276 I C 1.150 177.314 176.117 0.080 0.000 1.089 276 I CA 0.039 61.370 61.300 0.052 0.000 1.354 276 I CB 0.926 38.962 38.000 0.060 0.000 1.413 276 I HN 0.068 nan 8.210 nan 0.000 0.513 277 R N 3.301 123.844 120.500 0.071 0.000 2.509 277 R HA 0.193 4.533 4.340 -0.001 0.000 0.297 277 R C 0.268 176.621 176.300 0.090 0.000 0.951 277 R CA 0.043 56.203 56.100 0.100 0.000 1.103 277 R CB 0.484 30.823 30.300 0.065 0.000 1.283 277 R HN 0.722 nan 8.270 nan 0.000 0.534 278 S N -2.843 112.882 115.700 0.042 0.000 2.596 278 S HA 0.461 4.930 4.470 -0.001 0.000 0.270 278 S C 0.899 175.488 174.600 -0.019 0.000 1.155 278 S CA -0.243 57.956 58.200 -0.002 0.000 0.827 278 S CB 1.496 64.699 63.200 0.005 0.000 1.130 278 S HN 0.006 nan 8.310 nan 0.000 0.467 279 G N 0.283 109.056 108.800 -0.046 0.000 2.471 279 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.219 279 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.219 279 G C 1.100 175.979 174.900 -0.035 0.000 1.125 279 G CA 0.896 45.970 45.100 -0.043 0.000 0.775 279 G HN 0.666 nan 8.290 nan 0.000 0.548 280 L N 1.126 122.331 121.223 -0.031 0.000 2.027 280 L HA 0.008 4.348 4.340 -0.001 0.000 0.206 280 L C 2.106 178.970 176.870 -0.009 0.000 1.074 280 L CA 1.994 56.819 54.840 -0.023 0.000 0.745 280 L CB -0.634 41.413 42.059 -0.020 0.000 0.898 280 L HN 0.075 nan 8.230 nan 0.000 0.433 281 D N 0.072 120.472 120.400 -0.001 0.000 2.133 281 D HA -0.213 4.426 4.640 -0.001 0.000 0.195 281 D C 2.181 178.486 176.300 0.008 0.000 0.997 281 D CA 1.653 55.657 54.000 0.007 0.000 0.840 281 D CB -0.288 40.522 40.800 0.017 0.000 0.947 281 D HN 0.501 nan 8.370 nan 0.000 0.452 282 A N 1.130 123.955 122.820 0.007 0.000 1.877 282 A HA -0.081 4.239 4.320 -0.001 0.000 0.216 282 A C 2.359 179.943 177.584 0.001 0.000 1.186 282 A CA 2.483 54.526 52.037 0.009 0.000 0.620 282 A CB -0.799 18.207 19.000 0.010 0.000 0.822 282 A HN 0.253 nan 8.150 nan 0.000 0.443 283 A N -0.225 122.590 122.820 -0.008 0.000 1.877 283 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 283 A C 2.116 179.699 177.584 -0.002 0.000 1.186 283 A CA 1.865 53.895 52.037 -0.011 0.000 0.620 283 A CB -0.472 18.515 19.000 -0.023 0.000 0.822 283 A HN 0.555 nan 8.150 nan 0.000 0.443 284 K N -0.339 120.062 120.400 0.001 0.000 2.032 284 K HA -0.118 4.201 4.320 -0.001 0.000 0.209 284 K C 2.327 178.935 176.600 0.014 0.000 1.048 284 K CA 1.259 57.551 56.287 0.009 0.000 0.927 284 K CB -0.371 32.134 32.500 0.007 0.000 0.712 284 K HN 0.447 nan 8.250 nan 0.000 0.441 285 A N 1.317 124.143 122.820 0.010 0.000 1.902 285 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 285 A C 2.130 179.721 177.584 0.013 0.000 1.181 285 A CA 1.354 53.397 52.037 0.010 0.000 0.623 285 A CB -0.553 18.450 19.000 0.006 0.000 0.818 285 A HN 0.182 nan 8.150 nan 0.000 0.443 286 I N -0.371 120.204 120.570 0.009 0.000 2.233 286 I HA -0.217 3.953 4.170 -0.001 0.000 0.243 286 I C 2.974 179.099 176.117 0.013 0.000 1.093 286 I CA 0.979 62.283 61.300 0.007 0.000 1.380 286 I CB -0.391 37.611 38.000 0.003 0.000 1.067 286 I HN 0.322 nan 8.210 nan 0.000 0.413 287 A N 0.726 123.556 122.820 0.016 0.000 1.948 287 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 287 A C 2.354 179.968 177.584 0.049 0.000 1.177 287 A CA 1.532 53.583 52.037 0.023 0.000 0.636 287 A CB -0.910 18.103 19.000 0.021 0.000 0.815 287 A HN 0.426 nan 8.150 nan 0.000 0.449 288 L N -2.335 118.927 121.223 0.066 0.000 2.201 288 L HA -0.005 4.335 4.340 -0.001 0.000 0.212 288 L C 1.818 178.791 176.870 0.171 0.000 1.105 288 L CA 1.248 56.166 54.840 0.131 0.000 0.775 288 L CB -0.028 42.087 42.059 0.093 0.000 0.913 288 L HN 0.646 nan 8.230 nan 0.000 0.440 289 G N -2.031 106.819 108.800 0.083 0.000 3.288 289 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.219 289 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.219 289 G C 0.198 175.110 174.900 0.020 0.000 0.944 289 G CA -0.057 45.076 45.100 0.055 0.000 0.854 289 G HN 0.363 nan 8.290 nan 0.000 0.632 290 A N 0.415 123.239 122.820 0.007 0.000 2.351 290 A HA 0.597 4.917 4.320 -0.001 0.000 0.257 290 A C 0.971 178.526 177.584 -0.047 0.000 1.087 290 A CA 0.575 52.590 52.037 -0.036 0.000 0.798 290 A CB 0.482 19.461 19.000 -0.034 0.000 1.033 290 A HN 0.071 nan 8.150 nan 0.000 0.488 291 D N -0.261 120.072 120.400 -0.112 0.000 2.216 291 D HA 0.124 4.763 4.640 -0.001 0.000 0.208 291 D C 0.645 176.933 176.300 -0.020 0.000 0.960 291 D CA 1.602 55.565 54.000 -0.062 0.000 0.861 291 D CB 0.111 40.855 40.800 -0.093 0.000 0.985 291 D HN 0.673 nan 8.370 nan 0.000 0.493 292 I N -3.032 117.491 120.570 -0.078 0.000 3.095 292 I HA 0.655 4.824 4.170 -0.001 0.000 0.310 292 I C -1.547 174.569 176.117 -0.002 0.000 1.196 292 I CA -1.379 59.927 61.300 0.010 0.000 0.985 292 I CB 2.503 40.574 38.000 0.119 0.000 1.250 292 I HN -0.262 nan 8.210 nan 0.000 0.446 293 A N 2.382 125.220 122.820 0.030 0.000 2.292 293 A HA 0.853 5.173 4.320 -0.001 0.000 0.319 293 A C 0.030 177.651 177.584 0.062 0.000 1.206 293 A CA -0.211 51.847 52.037 0.035 0.000 0.835 293 A CB 0.742 19.763 19.000 0.035 0.000 1.164 293 A HN 1.138 nan 8.150 nan 0.000 0.505 294 G N 1.110 109.950 108.800 0.067 0.000 2.400 294 G HA2 0.604 4.564 3.960 -0.001 0.000 0.333 294 G HA3 0.604 4.564 3.960 -0.001 0.000 0.333 294 G C -0.601 174.360 174.900 0.100 0.000 1.143 294 G CA -0.603 44.552 45.100 0.091 0.000 0.914 294 G HN 0.655 nan 8.290 nan 0.000 0.480 295 M N 0.843 120.519 119.600 0.126 0.000 2.501 295 M HA 0.579 5.059 4.480 -0.001 0.000 0.293 295 M C 0.404 176.768 176.300 0.106 0.000 1.192 295 M CA -0.815 54.562 55.300 0.128 0.000 0.886 295 M CB 2.631 35.350 32.600 0.199 0.000 1.710 295 M HN 0.630 nan 8.290 nan 0.000 0.457 296 A N 1.513 124.373 122.820 0.067 0.000 1.807 296 A HA 0.369 4.689 4.320 -0.001 0.000 0.178 296 A C 1.362 178.932 177.584 -0.024 0.000 2.008 296 A CA -0.155 51.910 52.037 0.046 0.000 1.178 296 A CB -0.452 18.596 19.000 0.079 0.000 0.966 296 A HN 0.814 nan 8.150 nan 0.000 0.653 297 L N 0.941 122.144 121.223 -0.032 0.000 1.978 297 L HA -0.138 4.202 4.340 -0.001 0.000 0.218 297 L C -0.540 176.214 176.870 -0.194 0.000 1.075 297 L CA 2.798 57.576 54.840 -0.104 0.000 0.767 297 L CB -1.118 40.882 42.059 -0.099 0.000 0.890 297 L HN 0.297 nan 8.230 nan 0.000 0.434 298 P HA -0.118 nan 4.420 nan 0.000 0.220 298 P C 1.833 178.670 177.300 -0.772 0.000 1.148 298 P CA 1.255 64.096 63.100 -0.431 0.000 0.803 298 P CB -0.000 31.511 31.700 -0.315 0.000 0.782 299 V N 0.637 120.194 119.914 -0.595 0.000 2.379 299 V HA -0.178 3.941 4.120 -0.001 0.000 0.245 299 V C 2.716 178.609 176.094 -0.334 0.000 1.044 299 V CA 1.159 63.135 62.300 -0.539 0.000 1.036 299 V CB -1.158 30.551 31.823 -0.190 0.000 0.664 299 V HN 0.059 nan 8.190 nan 0.000 0.453 300 L N 0.119 121.203 121.223 -0.233 0.000 1.989 300 L HA -0.245 4.094 4.340 -0.001 0.000 0.211 300 L C 2.675 179.413 176.870 -0.220 0.000 1.071 300 L CA 2.182 56.913 54.840 -0.181 0.000 0.749 300 L CB -0.439 41.526 42.059 -0.157 0.000 0.890 300 L HN 0.338 nan 8.230 nan 0.000 0.431 301 K N -0.727 119.514 120.400 -0.265 0.000 2.063 301 K HA -0.158 4.161 4.320 -0.001 0.000 0.208 301 K C 2.135 178.612 176.600 -0.205 0.000 1.048 301 K CA 1.700 57.846 56.287 -0.236 0.000 0.928 301 K CB -0.151 32.213 32.500 -0.227 0.000 0.713 301 K HN 0.258 nan 8.250 nan 0.000 0.442 302 S N 0.756 116.273 115.700 -0.305 0.000 2.356 302 S HA -0.151 4.319 4.470 -0.001 0.000 0.223 302 S C 2.138 176.644 174.600 -0.156 0.000 1.032 302 S CA 1.248 59.292 58.200 -0.259 0.000 1.005 302 S CB -0.259 62.680 63.200 -0.435 0.000 0.867 302 S HN 0.452 nan 8.310 nan 0.000 0.449 303 A N 1.400 124.123 122.820 -0.162 0.000 1.908 303 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 303 A C 2.042 179.599 177.584 -0.046 0.000 1.181 303 A CA 1.384 53.373 52.037 -0.079 0.000 0.627 303 A CB -0.784 18.177 19.000 -0.066 0.000 0.818 303 A HN 0.519 nan 8.150 nan 0.000 0.445 304 I N -0.623 119.913 120.570 -0.056 0.000 2.286 304 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 304 I C 2.412 178.540 176.117 0.018 0.000 1.115 304 I CA 1.582 62.877 61.300 -0.008 0.000 1.392 304 I CB -0.413 37.584 38.000 -0.005 0.000 1.065 304 I HN 0.441 nan 8.210 nan 0.000 0.418 305 E N 0.547 120.746 120.200 -0.002 0.000 2.150 305 E HA 0.070 4.419 4.350 -0.001 0.000 0.193 305 E C 0.873 177.479 176.600 0.010 0.000 0.985 305 E CA 0.670 57.075 56.400 0.009 0.000 0.814 305 E CB 0.075 29.773 29.700 -0.004 0.000 0.752 305 E HN 0.580 nan 8.360 nan 0.000 0.466 306 G N -0.055 108.748 108.800 0.004 0.000 2.339 306 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.381 306 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.381 306 G C -0.168 174.748 174.900 0.027 0.000 1.400 306 G CA -0.223 44.887 45.100 0.017 0.000 1.002 306 G HN -0.031 nan 8.290 nan 0.000 0.633 307 K N 0.031 120.457 120.400 0.044 0.000 2.044 307 K HA -0.171 4.149 4.320 -0.001 0.000 0.210 307 K C 2.417 179.072 176.600 0.091 0.000 1.049 307 K CA 2.346 58.677 56.287 0.073 0.000 0.927 307 K CB -0.124 32.419 32.500 0.072 0.000 0.713 307 K HN 0.587 nan 8.250 nan 0.000 0.443 308 E N 0.279 120.524 120.200 0.074 0.000 2.106 308 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 308 E C 1.976 178.623 176.600 0.077 0.000 0.984 308 E CA 1.191 57.640 56.400 0.082 0.000 0.806 308 E CB -0.595 29.142 29.700 0.061 0.000 0.750 308 E HN 0.219 nan 8.360 nan 0.000 0.458 309 S N 0.801 116.531 115.700 0.050 0.000 2.368 309 S HA -0.139 4.330 4.470 -0.001 0.000 0.225 309 S C 1.961 176.582 174.600 0.034 0.000 1.030 309 S CA 1.020 59.241 58.200 0.034 0.000 0.999 309 S CB -0.252 62.952 63.200 0.007 0.000 0.844 309 S HN 0.243 nan 8.310 nan 0.000 0.459 310 L N 1.761 122.994 121.223 0.017 0.000 2.093 310 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 310 L C 2.211 179.114 176.870 0.055 0.000 1.085 310 L CA 1.942 56.766 54.840 -0.027 0.000 0.755 310 L CB -0.830 41.217 42.059 -0.021 0.000 0.904 310 L HN 0.368 nan 8.230 nan 0.000 0.435 311 E N -1.071 119.242 120.200 0.189 0.000 2.077 311 E HA -0.293 4.057 4.350 -0.001 0.000 0.193 311 E C 2.099 178.839 176.600 0.232 0.000 0.989 311 E CA 1.205 57.811 56.400 0.344 0.000 0.800 311 E CB -0.149 29.781 29.700 0.384 0.000 0.746 311 E HN 0.437 nan 8.360 nan 0.000 0.452 312 Q N 0.625 120.514 119.800 0.147 0.000 2.084 312 Q HA -0.188 4.152 4.340 -0.001 0.000 0.202 312 Q C 1.770 177.792 176.000 0.036 0.000 0.978 312 Q CA 1.413 57.273 55.803 0.096 0.000 0.844 312 Q CB -0.520 28.262 28.738 0.074 0.000 0.898 312 Q HN 0.343 nan 8.270 nan 0.000 0.426 313 F N -0.333 119.536 119.950 -0.134 0.000 2.043 313 F HA -0.256 4.270 4.527 -0.001 0.000 0.297 313 F C 1.671 177.315 175.800 -0.261 0.000 1.121 313 F CA 1.948 59.803 58.000 -0.242 0.000 1.199 313 F CB -0.480 38.281 39.000 -0.399 0.000 0.968 313 F HN 0.171 nan 8.300 nan 0.000 0.478 314 F N 0.215 119.956 119.950 -0.349 0.000 2.171 314 F HA -0.176 4.351 4.527 -0.001 0.000 0.300 314 F C 2.613 178.131 175.800 -0.471 0.000 1.090 314 F CA 1.222 58.841 58.000 -0.635 0.000 1.293 314 F CB -0.519 37.797 39.000 -1.141 0.000 1.013 314 F HN -0.162 nan 8.300 nan 0.000 0.486 315 R N 0.501 120.963 120.500 -0.064 0.000 2.103 315 R HA -0.226 4.114 4.340 -0.001 0.000 0.242 315 R C 2.272 178.609 176.300 0.062 0.000 1.142 315 R CA 1.816 57.981 56.100 0.109 0.000 0.960 315 R CB -0.372 30.029 30.300 0.169 0.000 0.858 315 R HN 0.247 nan 8.270 nan 0.000 0.439 316 K N 0.619 120.994 120.400 -0.042 0.000 2.001 316 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 316 K C 2.008 178.585 176.600 -0.038 0.000 1.048 316 K CA 1.252 57.531 56.287 -0.014 0.000 0.932 316 K CB 0.000 32.450 32.500 -0.085 0.000 0.715 316 K HN -0.004 nan 8.250 nan 0.000 0.437 317 I N 1.947 122.365 120.570 -0.252 0.000 2.151 317 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 317 I C 2.390 178.475 176.117 -0.053 0.000 1.080 317 I CA 1.485 62.658 61.300 -0.212 0.000 1.339 317 I CB -0.965 36.836 38.000 -0.333 0.000 1.039 317 I HN 0.280 nan 8.210 nan 0.000 0.409 318 I N -0.320 120.253 120.570 0.005 0.000 2.252 318 I HA -0.320 3.850 4.170 -0.001 0.000 0.245 318 I C 2.574 178.767 176.117 0.127 0.000 1.102 318 I CA 1.170 62.509 61.300 0.066 0.000 1.385 318 I CB -0.469 37.600 38.000 0.116 0.000 1.064 318 I HN 0.069 nan 8.210 nan 0.000 0.414 319 F N 2.121 122.104 119.950 0.055 0.000 2.095 319 F HA -0.241 4.286 4.527 -0.001 0.000 0.298 319 F C 2.365 178.225 175.800 0.100 0.000 1.104 319 F CA 1.862 59.931 58.000 0.116 0.000 1.232 319 F CB -0.333 38.720 39.000 0.089 0.000 0.987 319 F HN 0.043 nan 8.300 nan 0.000 0.475 320 E N 0.044 120.186 120.200 -0.096 0.000 2.072 320 E HA -0.214 4.135 4.350 -0.001 0.000 0.191 320 E C 2.100 178.600 176.600 -0.167 0.000 0.985 320 E CA 1.274 57.558 56.400 -0.192 0.000 0.801 320 E CB -0.439 29.226 29.700 -0.058 0.000 0.750 320 E HN 0.424 nan 8.360 nan 0.000 0.452 321 L N 1.698 122.862 121.223 -0.099 0.000 2.012 321 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 321 L C 1.839 178.637 176.870 -0.120 0.000 1.073 321 L CA 1.941 56.731 54.840 -0.083 0.000 0.748 321 L CB -0.136 41.894 42.059 -0.049 0.000 0.891 321 L HN -0.111 nan 8.230 nan 0.000 0.431 322 K N -0.638 119.676 120.400 -0.144 0.000 2.148 322 K HA -0.055 4.264 4.320 -0.001 0.000 0.204 322 K C 2.090 178.560 176.600 -0.216 0.000 1.050 322 K CA 1.053 57.200 56.287 -0.233 0.000 0.942 322 K CB -0.339 31.987 32.500 -0.290 0.000 0.724 322 K HN 0.514 nan 8.250 nan 0.000 0.446 323 A N 1.653 124.347 122.820 -0.209 0.000 1.883 323 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 323 A C 2.400 179.932 177.584 -0.087 0.000 1.186 323 A CA 1.985 53.926 52.037 -0.160 0.000 0.624 323 A CB -0.827 17.924 19.000 -0.416 0.000 0.822 323 A HN 0.328 nan 8.150 nan 0.000 0.444 324 A N -0.702 122.057 122.820 -0.101 0.000 1.908 324 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 324 A C 2.280 179.833 177.584 -0.052 0.000 1.181 324 A CA 1.930 53.934 52.037 -0.055 0.000 0.627 324 A CB -0.557 18.413 19.000 -0.051 0.000 0.818 324 A HN 0.556 nan 8.150 nan 0.000 0.445 325 M N -2.131 117.418 119.600 -0.086 0.000 2.086 325 M HA -0.141 4.338 4.480 -0.001 0.000 0.261 325 M C 2.408 178.650 176.300 -0.096 0.000 1.067 325 M CA 2.078 57.321 55.300 -0.096 0.000 1.116 325 M CB -0.372 32.148 32.600 -0.134 0.000 1.348 325 M HN 0.517 nan 8.290 nan 0.000 0.407 326 M N 0.993 120.530 119.600 -0.105 0.000 2.065 326 M HA -0.152 4.327 4.480 -0.001 0.000 0.259 326 M C 1.668 177.954 176.300 -0.023 0.000 1.069 326 M CA 1.900 57.170 55.300 -0.050 0.000 1.110 326 M CB -0.501 32.156 32.600 0.095 0.000 1.328 326 M HN 0.192 nan 8.290 nan 0.000 0.405 327 L N -1.304 119.925 121.223 0.010 0.000 2.610 327 L HA -0.041 4.299 4.340 -0.001 0.000 0.232 327 L C 1.406 178.268 176.870 -0.013 0.000 1.149 327 L CA 0.673 55.542 54.840 0.048 0.000 0.872 327 L CB -0.716 41.435 42.059 0.154 0.000 0.992 327 L HN 0.355 nan 8.230 nan 0.000 0.447 328 T N -1.254 113.278 114.554 -0.037 0.000 3.043 328 T HA 0.210 4.560 4.350 -0.001 0.000 0.272 328 T C 1.131 175.798 174.700 -0.054 0.000 0.990 328 T CA 0.605 62.680 62.100 -0.041 0.000 0.897 328 T CB 0.396 69.253 68.868 -0.019 0.000 1.111 328 T HN 0.470 nan 8.240 nan 0.000 0.529 329 G N 1.776 110.535 108.800 -0.068 0.000 2.198 329 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.257 329 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.257 329 G C 0.035 174.905 174.900 -0.051 0.000 1.042 329 G CA 0.342 45.403 45.100 -0.064 0.000 0.791 329 G HN 0.534 nan 8.290 nan 0.000 0.502 330 S N -0.060 115.605 115.700 -0.059 0.000 2.423 330 S HA 0.405 4.875 4.470 -0.001 0.000 0.317 330 S C 1.391 175.949 174.600 -0.071 0.000 1.065 330 S CA -0.072 58.095 58.200 -0.054 0.000 1.111 330 S CB 1.351 64.522 63.200 -0.050 0.000 0.968 330 S HN 0.706 nan 8.310 nan 0.000 0.474 331 K N 1.429 121.794 120.400 -0.059 0.000 2.296 331 K HA 0.026 4.346 4.320 -0.001 0.000 0.200 331 K C -0.048 176.512 176.600 -0.066 0.000 1.048 331 K CA 0.756 57.003 56.287 -0.067 0.000 0.966 331 K CB -0.118 32.355 32.500 -0.046 0.000 0.754 331 K HN 0.595 nan 8.250 nan 0.000 0.466 332 D N -1.393 118.976 120.400 -0.050 0.000 2.664 332 D HA 0.067 4.706 4.640 -0.001 0.000 0.292 332 D C 0.718 176.998 176.300 -0.033 0.000 1.214 332 D CA -0.870 53.105 54.000 -0.041 0.000 0.932 332 D CB 0.952 41.736 40.800 -0.027 0.000 1.420 332 D HN -0.241 nan 8.370 nan 0.000 0.471 333 V N -0.050 119.852 119.914 -0.021 0.000 2.407 333 V HA -0.177 3.942 4.120 -0.001 0.000 0.248 333 V C 1.720 177.811 176.094 -0.006 0.000 1.055 333 V CA 2.254 64.547 62.300 -0.011 0.000 1.049 333 V CB -0.786 31.039 31.823 0.004 0.000 0.662 333 V HN 0.662 nan 8.190 nan 0.000 0.455 334 D N 0.018 120.416 120.400 -0.004 0.000 2.144 334 D HA -0.121 4.519 4.640 -0.001 0.000 0.199 334 D C 2.154 178.449 176.300 -0.009 0.000 0.984 334 D CA 1.351 55.349 54.000 -0.003 0.000 0.834 334 D CB -0.120 40.679 40.800 -0.002 0.000 0.955 334 D HN 0.402 nan 8.370 nan 0.000 0.465 335 A N -0.029 122.782 122.820 -0.014 0.000 1.898 335 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 335 A C 2.043 179.617 177.584 -0.016 0.000 1.181 335 A CA 0.921 52.949 52.037 -0.016 0.000 0.620 335 A CB -0.774 18.213 19.000 -0.022 0.000 0.819 335 A HN 0.344 nan 8.150 nan 0.000 0.442 336 L N 0.127 121.339 121.223 -0.019 0.000 2.042 336 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 336 L C 2.112 178.977 176.870 -0.009 0.000 1.076 336 L CA 2.243 57.073 54.840 -0.017 0.000 0.749 336 L CB -0.495 41.551 42.059 -0.021 0.000 0.893 336 L HN 0.349 nan 8.230 nan 0.000 0.432 337 K N -0.144 120.252 120.400 -0.007 0.000 2.280 337 K HA -0.134 4.185 4.320 -0.001 0.000 0.202 337 K C 1.137 177.731 176.600 -0.011 0.000 1.047 337 K CA 1.415 57.698 56.287 -0.006 0.000 0.942 337 K CB -0.080 32.416 32.500 -0.005 0.000 0.739 337 K HN 0.514 nan 8.250 nan 0.000 0.457 338 K N -0.150 120.243 120.400 -0.011 0.000 2.478 338 K HA 0.124 4.444 4.320 -0.001 0.000 0.205 338 K C 0.263 176.860 176.600 -0.005 0.000 1.033 338 K CA -0.173 56.107 56.287 -0.011 0.000 1.091 338 K CB 0.728 33.220 32.500 -0.015 0.000 0.844 338 K HN -0.237 nan 8.250 nan 0.000 0.507 339 T N 1.240 115.793 114.554 -0.002 0.000 2.813 339 T HA 0.090 4.440 4.350 -0.001 0.000 0.297 339 T C -0.128 174.577 174.700 0.009 0.000 1.036 339 T CA -0.032 62.068 62.100 0.000 0.000 1.044 339 T CB 0.755 69.621 68.868 -0.004 0.000 0.993 339 T HN 0.244 nan 8.240 nan 0.000 0.535 340 S N 2.343 118.050 115.700 0.011 0.000 2.549 340 S HA 0.437 4.906 4.470 -0.001 0.000 0.279 340 S C 0.201 174.816 174.600 0.025 0.000 1.321 340 S CA -0.591 57.620 58.200 0.019 0.000 1.054 340 S CB -0.297 62.913 63.200 0.016 0.000 0.899 340 S HN 0.607 nan 8.310 nan 0.000 0.497 341 I N -0.473 120.116 120.570 0.033 0.000 3.145 341 I HA 0.829 4.999 4.170 -0.001 0.000 0.313 341 I C -1.228 174.909 176.117 0.033 0.000 1.122 341 I CA -1.222 60.099 61.300 0.035 0.000 0.987 341 I CB 1.919 39.947 38.000 0.045 0.000 1.236 341 I HN 0.249 nan 8.210 nan 0.000 0.453 342 V N 3.908 123.837 119.914 0.025 0.000 2.604 342 V HA 0.521 4.641 4.120 -0.001 0.000 0.305 342 V C -0.200 175.900 176.094 0.010 0.000 1.043 342 V CA -0.426 61.885 62.300 0.018 0.000 0.888 342 V CB 1.837 33.667 31.823 0.011 0.000 0.995 342 V HN 0.515 nan 8.190 nan 0.000 0.429 343 I N 5.604 126.177 120.570 0.005 0.000 2.406 343 I HA 0.556 4.726 4.170 -0.001 0.000 0.290 343 I C -0.570 175.533 176.117 -0.023 0.000 0.999 343 I CA -0.222 61.071 61.300 -0.012 0.000 1.124 343 I CB 1.565 39.555 38.000 -0.017 0.000 1.289 343 I HN 0.398 nan 8.210 nan 0.000 0.441 344 L N 4.241 125.440 121.223 -0.041 0.000 2.230 344 L HA 0.849 5.189 4.340 -0.001 0.000 0.255 344 L C 0.943 177.764 176.870 -0.082 0.000 1.039 344 L CA -0.649 54.160 54.840 -0.050 0.000 0.846 344 L CB 1.295 43.324 42.059 -0.051 0.000 1.419 344 L HN 0.776 nan 8.230 nan 0.000 0.435 345 G N 0.171 108.920 108.800 -0.085 0.000 2.574 345 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.286 345 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.286 345 G C 0.548 175.354 174.900 -0.158 0.000 1.212 345 G CA 0.689 45.713 45.100 -0.126 0.000 0.979 345 G HN 0.691 nan 8.290 nan 0.000 0.557 346 K N -0.378 119.843 120.400 -0.299 0.000 2.148 346 K HA 0.085 4.405 4.320 -0.001 0.000 0.204 346 K C 2.630 179.116 176.600 -0.190 0.000 1.050 346 K CA 1.307 57.396 56.287 -0.329 0.000 0.942 346 K CB -0.209 31.905 32.500 -0.644 0.000 0.724 346 K HN 0.296 nan 8.250 nan 0.000 0.446 347 L N 2.274 123.325 121.223 -0.286 0.000 2.012 347 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 347 L C 2.247 179.168 176.870 0.084 0.000 1.073 347 L CA 1.859 56.727 54.840 0.046 0.000 0.748 347 L CB -0.436 41.625 42.059 0.003 0.000 0.891 347 L HN 0.051 nan 8.230 nan 0.000 0.431 348 K N -0.431 119.971 120.400 0.004 0.000 2.032 348 K HA -0.230 4.089 4.320 -0.001 0.000 0.209 348 K C 1.912 178.544 176.600 0.053 0.000 1.048 348 K CA 2.058 58.351 56.287 0.011 0.000 0.927 348 K CB -0.219 32.270 32.500 -0.017 0.000 0.712 348 K HN 0.533 nan 8.250 nan 0.000 0.441 349 E N -0.188 120.050 120.200 0.063 0.000 2.110 349 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 349 E C 1.801 178.498 176.600 0.162 0.000 0.988 349 E CA 0.991 57.443 56.400 0.087 0.000 0.804 349 E CB -0.295 29.438 29.700 0.054 0.000 0.745 349 E HN 0.515 nan 8.360 nan 0.000 0.458 350 W N 1.822 123.150 121.300 0.047 0.000 2.332 350 W HA -0.244 4.416 4.660 -0.001 0.000 0.321 350 W C 2.348 178.881 176.519 0.024 0.000 1.219 350 W CA 2.149 59.537 57.345 0.072 0.000 1.277 350 W CB -0.536 29.011 29.460 0.145 0.000 1.161 350 W HN 0.057 nan 8.180 nan 0.000 0.476 351 A N 0.575 123.586 122.820 0.318 0.000 1.883 351 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 351 A C 1.898 179.467 177.584 -0.024 0.000 1.186 351 A CA 2.224 54.315 52.037 0.090 0.000 0.624 351 A CB -1.080 17.890 19.000 -0.051 0.000 0.822 351 A HN 0.510 nan 8.150 nan 0.000 0.444 352 E N -1.789 118.412 120.200 0.001 0.000 2.031 352 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 352 E C 1.946 178.511 176.600 -0.058 0.000 0.994 352 E CA 1.548 57.931 56.400 -0.030 0.000 0.800 352 E CB -0.360 29.342 29.700 0.003 0.000 0.752 352 E HN 0.737 nan 8.360 nan 0.000 0.447 353 Y N 1.261 121.493 120.300 -0.113 0.000 2.207 353 Y HA -0.198 4.351 4.550 -0.001 0.000 0.287 353 Y C 1.895 177.688 175.900 -0.179 0.000 1.156 353 Y CA 1.468 59.476 58.100 -0.155 0.000 1.182 353 Y CB 0.272 38.604 38.460 -0.213 0.000 0.979 353 Y HN -0.141 nan 8.280 nan 0.000 0.521 354 R N -0.034 120.401 120.500 -0.107 0.000 2.313 354 R HA 0.125 4.465 4.340 -0.001 0.000 0.199 354 R C 1.343 177.562 176.300 -0.135 0.000 0.958 354 R CA 0.754 56.777 56.100 -0.129 0.000 1.047 354 R CB -0.699 29.533 30.300 -0.113 0.000 0.955 354 R HN 0.548 nan 8.270 nan 0.000 0.481 355 G N 1.548 110.249 108.800 -0.165 0.000 2.143 355 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.248 355 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.248 355 G C 0.187 174.975 174.900 -0.187 0.000 0.991 355 G CA -0.138 44.883 45.100 -0.133 0.000 0.689 355 G HN 0.333 nan 8.290 nan 0.000 0.522 356 I N 1.696 122.071 120.570 -0.323 0.000 2.278 356 I HA 0.092 4.262 4.170 -0.001 0.000 0.296 356 I C 0.905 176.819 176.117 -0.338 0.000 1.121 356 I CA -0.486 60.412 61.300 -0.670 0.000 1.267 356 I CB 0.465 38.044 38.000 -0.701 0.000 1.447 356 I HN 0.229 nan 8.210 nan 0.000 0.509 357 N N 6.820 125.410 118.700 -0.183 0.000 2.434 357 N HA 0.019 4.758 4.740 -0.001 0.000 0.268 357 N C 1.011 176.548 175.510 0.046 0.000 1.256 357 N CA -0.062 52.986 53.050 -0.003 0.000 0.914 357 N CB 0.929 39.477 38.487 0.102 0.000 1.088 357 N HN 0.643 nan 8.380 nan 0.000 0.478 358 L N 2.735 123.975 121.223 0.028 0.000 2.191 358 L HA -0.182 4.158 4.340 -0.001 0.000 0.212 358 L C 2.247 179.201 176.870 0.139 0.000 1.103 358 L CA 0.902 55.788 54.840 0.077 0.000 0.769 358 L CB -0.216 41.863 42.059 0.033 0.000 0.908 358 L HN 0.547 nan 8.230 nan 0.000 0.438 359 S N 0.198 115.961 115.700 0.104 0.000 2.362 359 S HA -0.116 4.354 4.470 -0.001 0.000 0.221 359 S C 1.906 176.573 174.600 0.111 0.000 1.032 359 S CA 1.192 59.447 58.200 0.091 0.000 0.973 359 S CB -0.208 63.029 63.200 0.061 0.000 0.849 359 S HN 0.470 nan 8.310 nan 0.000 0.465 360 I N 0.251 120.910 120.570 0.148 0.000 2.454 360 I HA -0.135 4.035 4.170 -0.001 0.000 0.254 360 I C 1.953 178.191 176.117 0.202 0.000 1.156 360 I CA 1.299 62.696 61.300 0.163 0.000 1.433 360 I CB -0.428 37.673 38.000 0.168 0.000 1.082 360 I HN 0.265 nan 8.210 nan 0.000 0.432 361 Y N 1.798 122.209 120.300 0.185 0.000 2.097 361 Y HA -0.254 4.295 4.550 -0.001 0.000 0.282 361 Y C 2.527 178.483 175.900 0.093 0.000 1.152 361 Y CA 2.174 60.376 58.100 0.170 0.000 1.136 361 Y CB -0.139 38.363 38.460 0.070 0.000 0.975 361 Y HN 0.207 nan 8.280 nan 0.000 0.498 362 E N 0.560 120.799 120.200 0.063 0.000 2.065 362 E HA -0.271 4.078 4.350 -0.001 0.000 0.201 362 E C 2.027 178.576 176.600 -0.085 0.000 1.016 362 E CA 1.831 58.224 56.400 -0.010 0.000 0.818 362 E CB -0.311 29.421 29.700 0.052 0.000 0.749 362 E HN 0.390 nan 8.360 nan 0.000 0.453 363 K N 0.304 120.676 120.400 -0.047 0.000 2.020 363 K HA -0.130 4.189 4.320 -0.001 0.000 0.212 363 K C 2.257 178.796 176.600 -0.103 0.000 1.050 363 K CA 1.107 57.362 56.287 -0.054 0.000 0.929 363 K CB -0.698 31.789 32.500 -0.022 0.000 0.714 363 K HN -0.040 nan 8.250 nan 0.000 0.443 364 V N 1.627 121.453 119.914 -0.146 0.000 2.287 364 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 364 V C 2.307 178.261 176.094 -0.233 0.000 1.053 364 V CA 2.339 64.529 62.300 -0.182 0.000 1.027 364 V CB -0.641 31.078 31.823 -0.174 0.000 0.646 364 V HN 0.409 nan 8.190 nan 0.000 0.447 365 R N 0.606 120.872 120.500 -0.391 0.000 2.189 365 R HA -0.062 4.278 4.340 -0.001 0.000 0.218 365 R C 1.972 178.184 176.300 -0.148 0.000 1.074 365 R CA 1.326 57.239 56.100 -0.312 0.000 0.991 365 R CB -0.321 29.717 30.300 -0.437 0.000 0.883 365 R HN 0.365 nan 8.270 nan 0.000 0.457 366 K N -0.395 119.930 120.400 -0.125 0.000 2.356 366 K HA 0.122 4.441 4.320 -0.001 0.000 0.195 366 K C 0.302 176.872 176.600 -0.050 0.000 1.037 366 K CA 0.050 56.296 56.287 -0.067 0.000 1.014 366 K CB 0.356 32.826 32.500 -0.050 0.000 0.815 366 K HN -0.029 nan 8.250 nan 0.000 0.507 367 R N 0.000 120.464 120.500 -0.060 0.000 2.786 367 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 367 R CA 0.000 56.076 56.100 -0.040 0.000 0.921 367 R CB 0.000 30.275 30.300 -0.041 0.000 0.687 367 R HN 0.000 nan 8.270 nan 0.000 0.535