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 1zmc_1_B DATA FIRST_RESID 4 DATA SEQUENCE PIDADVTVIG SGPGGYVAAI KAAQLGFKTV CIEKNETLGG TcLNVGcIPS DATA SEQUENCE KALLNNSHYY HMAHGTDFAS RGIEMSEVRL NLDKMMEQKS TAVKALTGGI DATA SEQUENCE AHLFKQNKVV HVNGYGKITG KNQVTATKAD GGTQVIDTKN ILIATGSEVT DATA SEQUENCE PFPGITIDED TIVSSTGALS LKKVPEKMVV IGAGVIGVEL GSVWQRLGAD DATA SEQUENCE VTAVEFLGHV GGVGIDMEIS KNFQRILQKQ GFKFKLNTKV TGATKKSDGK DATA SEQUENCE IDVSIEAASG GKAEVITCDV LLVCIGRRPF TKNLGLEELG IELDPRGRIP DATA SEQUENCE VNTRFQTKIP NIYAIGDVVA GPMLAHKAED EGIICVEGMA GGAVHIDYNC DATA SEQUENCE VPSVIYTHPE VAWVGKSEEQ LKEEGIEYKV GKFPFAANSR AKTNADTDGM DATA SEQUENCE VKILGQKSTD RVLGAHILGP GAGEMVNEAA LALEYGASCE DIARVCHAHP DATA SEQUENCE TLSEAFREAN LAASFGKSIN F 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.303 177.300 0.005 0.000 1.155 4 P CA 0.000 63.104 63.100 0.006 0.000 0.800 4 P CB 0.000 31.703 31.700 0.005 0.000 0.726 5 I N 1.996 122.569 120.570 0.005 0.000 2.913 5 I HA 0.488 4.657 4.170 -0.000 0.000 0.302 5 I C -1.617 174.502 176.117 0.003 0.000 1.246 5 I CA -0.386 60.916 61.300 0.003 0.000 1.010 5 I CB 3.093 41.094 38.000 0.002 0.000 1.259 5 I HN 0.427 nan 8.210 nan 0.000 0.434 6 D N 5.714 126.115 120.400 0.002 0.000 2.477 6 D HA 0.830 5.470 4.640 -0.000 0.000 0.234 6 D C -1.348 174.951 176.300 -0.001 0.000 1.048 6 D CA -0.475 53.526 54.000 0.002 0.000 0.959 6 D CB 2.655 43.458 40.800 0.005 0.000 1.408 6 D HN 0.755 nan 8.370 nan 0.000 0.496 7 A N 0.463 123.281 122.820 -0.003 0.000 2.540 7 A HA 0.351 4.671 4.320 -0.000 0.000 0.291 7 A C -0.399 177.179 177.584 -0.011 0.000 1.083 7 A CA -0.579 51.454 52.037 -0.007 0.000 0.650 7 A CB 1.328 20.314 19.000 -0.023 0.000 1.292 7 A HN 0.514 nan 8.150 nan 0.000 0.435 8 D N -0.814 119.578 120.400 -0.013 0.000 2.214 8 D HA 0.176 4.816 4.640 -0.000 0.000 0.217 8 D C 0.107 176.301 176.300 -0.176 0.000 0.973 8 D CA 1.652 55.626 54.000 -0.042 0.000 0.880 8 D CB 0.364 41.208 40.800 0.073 0.000 1.031 8 D HN 0.231 nan 8.370 nan 0.000 0.468 9 V N 1.308 121.090 119.914 -0.221 0.000 2.448 9 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 9 V C -0.331 175.671 176.094 -0.153 0.000 1.025 9 V CA -0.368 61.770 62.300 -0.270 0.000 0.859 9 V CB 1.914 33.475 31.823 -0.437 0.000 0.988 9 V HN -0.028 nan 8.190 nan 0.000 0.431 10 T N 4.399 118.885 114.554 -0.113 0.000 2.809 10 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 10 T C -0.608 174.053 174.700 -0.065 0.000 1.015 10 T CA -0.271 61.784 62.100 -0.075 0.000 0.954 10 T CB 1.495 70.338 68.868 -0.041 0.000 0.950 10 T HN 0.494 nan 8.240 nan 0.000 0.450 11 V N 6.068 125.940 119.914 -0.070 0.000 2.398 11 V HA 0.602 4.722 4.120 -0.000 0.000 0.286 11 V C -0.638 175.442 176.094 -0.024 0.000 1.026 11 V CA -0.996 61.274 62.300 -0.050 0.000 0.868 11 V CB 0.707 32.492 31.823 -0.063 0.000 0.982 11 V HN 0.836 nan 8.190 nan 0.000 0.443 12 I N 7.490 128.050 120.570 -0.016 0.000 2.291 12 I HA 0.755 4.925 4.170 -0.000 0.000 0.290 12 I C 0.609 176.712 176.117 -0.022 0.000 1.050 12 I CA 0.140 61.428 61.300 -0.021 0.000 1.245 12 I CB 0.830 38.812 38.000 -0.029 0.000 1.405 12 I HN 0.963 nan 8.210 nan 0.000 0.478 13 G N 3.546 112.338 108.800 -0.013 0.000 2.957 13 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.636 13 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.636 13 G C -0.180 174.745 174.900 0.041 0.000 1.401 13 G CA -0.361 44.731 45.100 -0.014 0.000 0.941 13 G HN 0.660 nan 8.290 nan 0.000 0.610 14 S N 1.098 116.818 115.700 0.034 0.000 2.506 14 S HA 0.615 5.085 4.470 -0.000 0.000 0.245 14 S C 1.165 175.808 174.600 0.071 0.000 1.088 14 S CA 0.593 58.842 58.200 0.082 0.000 1.099 14 S CB 0.565 63.747 63.200 -0.029 0.000 0.805 14 S HN 1.765 nan 8.310 nan 0.000 0.461 15 G N 1.967 110.811 108.800 0.073 0.000 2.543 15 G HA2 0.480 4.440 3.960 -0.000 0.000 0.290 15 G HA3 0.480 4.440 3.960 -0.000 0.000 0.290 15 G C -1.756 173.248 174.900 0.172 0.000 1.310 15 G CA -1.909 43.238 45.100 0.078 0.000 1.025 15 G HN 0.161 nan 8.290 nan 0.000 0.502 16 P HA -0.152 nan 4.420 nan 0.000 0.216 16 P C 1.974 179.226 177.300 -0.079 0.000 1.154 16 P CA 2.089 65.235 63.100 0.076 0.000 0.865 16 P CB 0.074 31.796 31.700 0.038 0.000 0.789 17 G N -0.947 107.821 108.800 -0.053 0.000 2.394 17 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 17 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 17 G C 1.765 176.613 174.900 -0.088 0.000 1.176 17 G CA 0.878 45.920 45.100 -0.096 0.000 0.786 17 G HN 0.355 nan 8.290 nan 0.000 0.533 18 G N 0.516 109.309 108.800 -0.012 0.000 2.453 18 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.215 18 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.215 18 G C 1.734 176.708 174.900 0.124 0.000 1.201 18 G CA 1.353 46.477 45.100 0.039 0.000 0.784 18 G HN 0.600 nan 8.290 nan 0.000 0.545 19 Y N 0.844 121.218 120.300 0.122 0.000 2.274 19 Y HA 0.045 4.595 4.550 -0.000 0.000 0.290 19 Y C 2.360 178.394 175.900 0.224 0.000 1.145 19 Y CA 1.214 59.483 58.100 0.283 0.000 1.203 19 Y CB -0.556 37.885 38.460 -0.033 0.000 0.984 19 Y HN 0.026 nan 8.280 nan 0.000 0.533 20 V N 1.072 120.634 119.914 -0.587 0.000 2.407 20 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 20 V C 2.834 178.810 176.094 -0.196 0.000 1.041 20 V CA 1.520 63.498 62.300 -0.538 0.000 1.040 20 V CB -1.266 30.218 31.823 -0.564 0.000 0.671 20 V HN 0.619 nan 8.190 nan 0.000 0.455 21 A N 0.250 122.981 122.820 -0.149 0.000 1.858 21 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 21 A C 2.457 179.997 177.584 -0.073 0.000 1.190 21 A CA 2.160 54.131 52.037 -0.111 0.000 0.617 21 A CB -0.945 17.982 19.000 -0.121 0.000 0.827 21 A HN 0.546 nan 8.150 nan 0.000 0.443 22 A N 0.113 122.905 122.820 -0.047 0.000 1.859 22 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 22 A C 2.156 179.699 177.584 -0.069 0.000 1.198 22 A CA 1.811 53.786 52.037 -0.103 0.000 0.629 22 A CB -0.814 18.050 19.000 -0.227 0.000 0.830 22 A HN 0.518 nan 8.150 nan 0.000 0.446 23 I N -0.844 119.749 120.570 0.038 0.000 2.118 23 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 23 I C 2.573 178.704 176.117 0.023 0.000 1.070 23 I CA 2.075 63.417 61.300 0.070 0.000 1.327 23 I CB -0.250 37.844 38.000 0.157 0.000 1.034 23 I HN 0.284 nan 8.210 nan 0.000 0.405 24 K N 1.305 121.705 120.400 0.000 0.000 2.147 24 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 24 K C 1.956 178.578 176.600 0.038 0.000 1.049 24 K CA 1.490 57.776 56.287 -0.000 0.000 0.936 24 K CB -0.296 32.188 32.500 -0.028 0.000 0.722 24 K HN 0.330 nan 8.250 nan 0.000 0.446 25 A N 0.447 123.301 122.820 0.057 0.000 1.873 25 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 25 A C 2.378 180.087 177.584 0.209 0.000 1.186 25 A CA 1.891 54.051 52.037 0.204 0.000 0.616 25 A CB -1.096 17.949 19.000 0.074 0.000 0.823 25 A HN 0.389 nan 8.150 nan 0.000 0.442 26 A N -0.475 122.391 122.820 0.077 0.000 1.877 26 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 26 A C 2.047 179.634 177.584 0.005 0.000 1.186 26 A CA 1.645 53.704 52.037 0.038 0.000 0.620 26 A CB -0.687 18.307 19.000 -0.010 0.000 0.822 26 A HN 0.652 nan 8.150 nan 0.000 0.443 27 Q N -1.141 118.660 119.800 0.001 0.000 2.439 27 Q HA -0.049 4.291 4.340 -0.000 0.000 0.211 27 Q C 1.097 177.064 176.000 -0.054 0.000 0.978 27 Q CA 0.587 56.379 55.803 -0.019 0.000 0.897 27 Q CB -0.146 28.587 28.738 -0.008 0.000 0.956 27 Q HN 0.467 nan 8.270 nan 0.000 0.483 28 L N -1.472 119.704 121.223 -0.079 0.000 2.554 28 L HA 0.192 4.532 4.340 -0.000 0.000 0.225 28 L C 1.158 177.824 176.870 -0.340 0.000 1.104 28 L CA 1.148 55.874 54.840 -0.191 0.000 0.866 28 L CB 0.353 42.296 42.059 -0.192 0.000 1.047 28 L HN 0.274 nan 8.230 nan 0.000 0.468 29 G N -1.633 107.012 108.800 -0.258 0.000 2.145 29 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.176 29 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.176 29 G C -0.070 174.676 174.900 -0.257 0.000 1.013 29 G CA -0.590 44.360 45.100 -0.249 0.000 0.689 29 G HN 0.033 nan 8.290 nan 0.000 0.506 30 F N 0.290 120.216 119.950 -0.041 0.000 2.470 30 F HA 0.628 5.155 4.527 -0.000 0.000 0.329 30 F C 0.759 176.530 175.800 -0.048 0.000 1.072 30 F CA -1.380 56.594 58.000 -0.044 0.000 0.989 30 F CB 1.650 40.617 39.000 -0.056 0.000 1.193 30 F HN -0.028 nan 8.300 nan 0.000 0.481 31 K N 1.870 122.384 120.400 0.189 0.000 2.250 31 K HA 0.331 4.651 4.320 -0.000 0.000 0.285 31 K C -1.059 175.561 176.600 0.032 0.000 1.097 31 K CA -0.069 56.261 56.287 0.071 0.000 0.913 31 K CB 0.014 32.544 32.500 0.049 0.000 1.179 31 K HN 0.706 nan 8.250 nan 0.000 0.462 32 T N 2.195 116.746 114.554 -0.005 0.000 2.823 32 T HA 0.301 4.651 4.350 -0.000 0.000 0.279 32 T C -1.045 173.586 174.700 -0.115 0.000 0.998 32 T CA -0.795 61.263 62.100 -0.070 0.000 0.994 32 T CB 1.819 70.634 68.868 -0.090 0.000 0.960 32 T HN 0.327 nan 8.240 nan 0.000 0.448 33 V N 2.496 122.340 119.914 -0.118 0.000 2.531 33 V HA 0.636 4.756 4.120 -0.000 0.000 0.301 33 V C -0.846 175.172 176.094 -0.126 0.000 1.034 33 V CA -0.746 61.489 62.300 -0.109 0.000 0.865 33 V CB 1.190 32.983 31.823 -0.051 0.000 0.995 33 V HN 1.176 nan 8.190 nan 0.000 0.424 34 C N 7.941 127.151 119.300 -0.150 0.000 2.322 34 C HA 0.684 5.144 4.460 -0.000 0.000 0.324 34 C C -0.208 174.814 174.990 0.053 0.000 1.284 34 C CA -0.709 58.253 59.018 -0.092 0.000 1.606 34 C CB -0.289 27.321 27.740 -0.217 0.000 2.251 34 C HN 0.829 nan 8.230 nan 0.000 0.502 35 I N 4.966 125.566 120.570 0.051 0.000 2.336 35 I HA 0.440 4.610 4.170 -0.000 0.000 0.292 35 I C -0.353 175.803 176.117 0.065 0.000 0.991 35 I CA 0.156 61.502 61.300 0.077 0.000 1.227 35 I CB 1.404 39.420 38.000 0.028 0.000 1.366 35 I HN 0.608 nan 8.210 nan 0.000 0.466 36 E N 5.878 126.148 120.200 0.118 0.000 2.246 36 E HA 0.253 4.603 4.350 -0.000 0.000 0.266 36 E C 0.135 176.776 176.600 0.068 0.000 0.880 36 E CA -0.798 55.645 56.400 0.070 0.000 0.762 36 E CB 1.488 31.235 29.700 0.077 0.000 1.180 36 E HN 0.560 nan 8.360 nan 0.000 0.416 37 K N 2.698 123.095 120.400 -0.005 0.000 2.243 37 K HA 0.145 4.465 4.320 -0.000 0.000 0.201 37 K C 0.142 176.774 176.600 0.053 0.000 1.051 37 K CA 0.272 56.580 56.287 0.034 0.000 0.970 37 K CB 0.067 32.566 32.500 -0.001 0.000 0.755 37 K HN 0.213 nan 8.250 nan 0.000 0.465 38 N N 1.758 120.470 118.700 0.020 0.000 2.458 38 N HA 0.043 4.783 4.740 -0.000 0.000 0.271 38 N C 0.307 175.839 175.510 0.036 0.000 1.210 38 N CA -0.352 52.708 53.050 0.017 0.000 0.978 38 N CB 0.962 39.438 38.487 -0.019 0.000 1.206 38 N HN 0.146 nan 8.380 nan 0.000 0.536 39 E N -0.576 119.638 120.200 0.024 0.000 2.333 39 E HA -0.080 4.270 4.350 -0.000 0.000 0.198 39 E C 0.101 176.717 176.600 0.027 0.000 1.007 39 E CA 0.841 57.257 56.400 0.027 0.000 0.845 39 E CB 0.051 29.758 29.700 0.013 0.000 0.766 39 E HN 0.685 nan 8.360 nan 0.000 0.507 40 T N -2.508 112.049 114.554 0.006 0.000 2.864 40 T HA 0.573 4.923 4.350 -0.000 0.000 0.299 40 T C -0.384 174.274 174.700 -0.071 0.000 1.166 40 T CA -0.975 61.110 62.100 -0.025 0.000 1.007 40 T CB 1.432 70.270 68.868 -0.050 0.000 1.219 40 T HN -0.107 nan 8.240 nan 0.000 0.506 41 L N 0.596 121.729 121.223 -0.150 0.000 2.387 41 L HA 0.700 5.040 4.340 -0.000 0.000 0.266 41 L C 1.522 178.238 176.870 -0.257 0.000 1.059 41 L CA -0.061 54.629 54.840 -0.250 0.000 0.801 41 L CB 1.166 42.956 42.059 -0.448 0.000 1.223 41 L HN 1.213 nan 8.230 nan 0.000 0.456 42 G N -0.122 108.530 108.800 -0.246 0.000 2.336 42 G HA2 0.094 4.054 3.960 -0.000 0.000 0.194 42 G HA3 0.094 4.054 3.960 -0.000 0.000 0.194 42 G C 0.539 175.387 174.900 -0.086 0.000 0.999 42 G CA -0.130 44.843 45.100 -0.212 0.000 0.669 42 G HN 1.384 nan 8.290 nan 0.000 0.482 43 G N -0.745 108.009 108.800 -0.076 0.000 2.645 43 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.246 43 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.246 43 G C 0.969 175.839 174.900 -0.051 0.000 1.322 43 G CA 0.981 46.048 45.100 -0.054 0.000 0.898 43 G HN 1.240 nan 8.290 nan 0.000 0.573 44 T N -0.466 114.063 114.554 -0.041 0.000 2.684 44 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 44 T C 2.499 177.187 174.700 -0.020 0.000 1.036 44 T CA 2.658 64.741 62.100 -0.029 0.000 1.148 44 T CB -0.719 68.138 68.868 -0.018 0.000 0.863 44 T HN 1.075 nan 8.240 nan 0.000 0.436 45 c N 1.184 119.776 118.600 -0.014 0.000 2.393 45 c HA -0.078 4.492 4.570 -0.000 0.000 0.276 45 c C 2.577 176.650 174.090 -0.028 0.000 1.215 45 c CA 1.001 57.323 56.329 -0.012 0.000 1.743 45 c CB -1.356 41.157 42.510 0.005 0.000 2.044 45 c HN 0.511 nan 8.230 nan 0.000 0.464 46 L N 1.667 122.866 121.223 -0.041 0.000 2.109 46 L HA 0.043 4.383 4.340 -0.000 0.000 0.207 46 L C 2.155 178.988 176.870 -0.060 0.000 1.086 46 L CA 2.025 56.827 54.840 -0.063 0.000 0.760 46 L CB -1.044 40.954 42.059 -0.102 0.000 0.910 46 L HN 0.438 nan 8.230 nan 0.000 0.437 47 N N -0.530 118.137 118.700 -0.054 0.000 2.278 47 N HA 0.018 4.758 4.740 -0.000 0.000 0.181 47 N C 1.106 176.600 175.510 -0.026 0.000 1.023 47 N CA 1.655 54.679 53.050 -0.044 0.000 0.862 47 N CB 0.294 38.753 38.487 -0.047 0.000 1.003 47 N HN 0.386 nan 8.380 nan 0.000 0.431 48 V N -2.971 116.931 119.914 -0.019 0.000 3.017 48 V HA 0.689 4.809 4.120 -0.000 0.000 0.354 48 V C 0.506 176.603 176.094 0.004 0.000 1.389 48 V CA -0.173 62.125 62.300 -0.002 0.000 1.163 48 V CB 0.502 32.327 31.823 0.004 0.000 1.178 48 V HN 0.163 nan 8.190 nan 0.000 0.547 49 G N -0.202 108.594 108.800 -0.007 0.000 3.324 49 G HA2 0.181 4.141 3.960 -0.000 0.000 0.188 49 G HA3 0.181 4.141 3.960 -0.000 0.000 0.188 49 G C 0.955 175.843 174.900 -0.020 0.000 1.384 49 G CA 0.673 45.772 45.100 -0.001 0.000 0.841 49 G HN 0.277 nan 8.290 nan 0.000 0.758 50 c N 1.196 119.778 118.600 -0.030 0.000 2.376 50 c HA -0.091 4.479 4.570 -0.000 0.000 0.275 50 c C 2.787 176.811 174.090 -0.110 0.000 1.200 50 c CA 0.705 56.989 56.329 -0.075 0.000 1.756 50 c CB -1.322 41.147 42.510 -0.070 0.000 2.050 50 c HN 0.413 nan 8.230 nan 0.000 0.460 51 I N 2.460 122.981 120.570 -0.082 0.000 2.113 51 I HA -0.095 4.075 4.170 -0.000 0.000 0.238 51 I C 0.213 176.283 176.117 -0.078 0.000 1.070 51 I CA 1.582 62.830 61.300 -0.087 0.000 1.332 51 I CB -2.938 35.021 38.000 -0.069 0.000 1.044 51 I HN 0.241 nan 8.210 nan 0.000 0.402 52 P HA -0.123 nan 4.420 nan 0.000 0.216 52 P C 1.848 179.118 177.300 -0.051 0.000 1.150 52 P CA 2.070 65.144 63.100 -0.044 0.000 0.837 52 P CB -0.088 31.599 31.700 -0.022 0.000 0.786 53 S N -0.468 115.202 115.700 -0.051 0.000 2.406 53 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 53 S C 2.034 176.582 174.600 -0.087 0.000 1.020 53 S CA 0.870 59.040 58.200 -0.050 0.000 0.965 53 S CB -0.714 62.478 63.200 -0.014 0.000 0.798 53 S HN -0.035 nan 8.310 nan 0.000 0.488 54 K N 1.871 122.186 120.400 -0.141 0.000 2.148 54 K HA 0.321 4.641 4.320 -0.000 0.000 0.204 54 K C 2.273 178.802 176.600 -0.119 0.000 1.050 54 K CA 1.062 57.234 56.287 -0.192 0.000 0.942 54 K CB -0.794 31.506 32.500 -0.333 0.000 0.724 54 K HN 0.496 nan 8.250 nan 0.000 0.446 55 A N 0.603 123.365 122.820 -0.097 0.000 1.855 55 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 55 A C 2.074 179.612 177.584 -0.076 0.000 1.191 55 A CA 1.268 53.263 52.037 -0.069 0.000 0.613 55 A CB -0.712 18.255 19.000 -0.055 0.000 0.829 55 A HN 0.192 nan 8.150 nan 0.000 0.442 56 L N -0.728 120.437 121.223 -0.097 0.000 2.042 56 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 56 L C 2.625 179.410 176.870 -0.142 0.000 1.076 56 L CA 1.170 55.922 54.840 -0.148 0.000 0.749 56 L CB -0.648 41.291 42.059 -0.199 0.000 0.893 56 L HN 0.370 nan 8.230 nan 0.000 0.432 57 L N -0.281 120.882 121.223 -0.100 0.000 2.042 57 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 57 L C 2.475 179.312 176.870 -0.054 0.000 1.076 57 L CA 1.566 56.374 54.840 -0.053 0.000 0.749 57 L CB -0.646 41.416 42.059 0.005 0.000 0.893 57 L HN 0.414 nan 8.230 nan 0.000 0.432 58 N N -0.153 118.497 118.700 -0.084 0.000 2.106 58 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 58 N C 1.568 176.975 175.510 -0.171 0.000 1.029 58 N CA 1.276 54.231 53.050 -0.158 0.000 0.848 58 N CB 0.070 38.496 38.487 -0.102 0.000 1.007 58 N HN 0.347 nan 8.380 nan 0.000 0.423 59 N N 0.617 119.287 118.700 -0.050 0.000 2.188 59 N HA -0.112 4.628 4.740 -0.000 0.000 0.184 59 N C 1.876 177.403 175.510 0.028 0.000 1.018 59 N CA 1.358 54.427 53.050 0.030 0.000 0.858 59 N CB -0.451 38.035 38.487 -0.001 0.000 0.989 59 N HN 0.369 nan 8.380 nan 0.000 0.426 60 S N -0.212 115.466 115.700 -0.036 0.000 2.428 60 S HA -0.113 4.357 4.470 -0.000 0.000 0.230 60 S C 1.781 176.428 174.600 0.078 0.000 1.014 60 S CA 0.574 58.770 58.200 -0.006 0.000 0.957 60 S CB -0.520 62.609 63.200 -0.119 0.000 0.784 60 S HN 0.460 nan 8.310 nan 0.000 0.499 61 H N -0.056 118.972 119.070 -0.070 0.000 2.395 61 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 61 H C 1.437 176.726 175.328 -0.064 0.000 1.070 61 H CA 1.392 57.383 56.048 -0.095 0.000 1.356 61 H CB -0.183 29.426 29.762 -0.254 0.000 1.401 61 H HN 0.443 nan 8.280 nan 0.000 0.524 62 Y N -0.136 120.045 120.300 -0.199 0.000 2.263 62 Y HA -0.177 4.373 4.550 -0.000 0.000 0.292 62 Y C 2.564 178.276 175.900 -0.312 0.000 1.130 62 Y CA 0.887 58.805 58.100 -0.302 0.000 1.179 62 Y CB -1.178 37.218 38.460 -0.106 0.000 0.998 62 Y HN 0.290 nan 8.280 nan 0.000 0.532 63 Y N -0.009 120.251 120.300 -0.066 0.000 2.181 63 Y HA -0.280 4.270 4.550 -0.000 0.000 0.288 63 Y C 2.842 178.691 175.900 -0.085 0.000 1.146 63 Y CA 2.204 60.251 58.100 -0.089 0.000 1.164 63 Y CB -0.868 37.544 38.460 -0.079 0.000 0.982 63 Y HN 0.320 nan 8.280 nan 0.000 0.515 64 H N -0.756 118.143 119.070 -0.285 0.000 2.353 64 H HA -0.138 4.418 4.556 -0.000 0.000 0.300 64 H C 1.830 176.936 175.328 -0.371 0.000 1.090 64 H CA 1.449 57.309 56.048 -0.312 0.000 1.327 64 H CB 0.137 29.802 29.762 -0.161 0.000 1.383 64 H HN 0.293 nan 8.280 nan 0.000 0.508 65 M N 0.377 119.577 119.600 -0.666 0.000 2.229 65 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 65 M C 2.570 178.371 176.300 -0.833 0.000 1.063 65 M CA 1.085 55.933 55.300 -0.753 0.000 1.114 65 M CB -0.875 31.307 32.600 -0.697 0.000 1.387 65 M HN 0.406 nan 8.290 nan 0.000 0.420 66 A N -0.950 121.338 122.820 -0.886 0.000 1.878 66 A HA -0.137 4.183 4.320 -0.000 0.000 0.213 66 A C 2.144 179.511 177.584 -0.363 0.000 1.192 66 A CA 1.170 52.772 52.037 -0.725 0.000 0.619 66 A CB -0.925 17.729 19.000 -0.577 0.000 0.837 66 A HN 0.532 nan 8.150 nan 0.000 0.446 67 H N 0.388 119.131 119.070 -0.545 0.000 2.462 67 H HA 0.042 4.598 4.556 -0.000 0.000 0.292 67 H C 1.344 176.511 175.328 -0.270 0.000 1.049 67 H CA 1.275 57.048 56.048 -0.458 0.000 1.334 67 H CB -0.340 28.891 29.762 -0.885 0.000 1.404 67 H HN 0.398 nan 8.280 nan 0.000 0.544 68 G N -0.755 107.956 108.800 -0.148 0.000 2.514 68 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.245 68 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.245 68 G C 0.887 175.708 174.900 -0.133 0.000 1.488 68 G CA 0.431 45.480 45.100 -0.085 0.000 1.063 68 G HN 0.361 nan 8.290 nan 0.000 0.557 69 T N -2.111 112.389 114.554 -0.090 0.000 3.023 69 T HA 0.044 4.394 4.350 -0.000 0.000 0.253 69 T C 1.606 176.294 174.700 -0.019 0.000 1.038 69 T CA 1.098 63.170 62.100 -0.048 0.000 0.962 69 T CB -0.231 68.626 68.868 -0.018 0.000 1.018 69 T HN 0.454 nan 8.240 nan 0.000 0.521 70 D N 0.227 120.598 120.400 -0.049 0.000 2.092 70 D HA -0.109 4.530 4.640 -0.000 0.000 0.193 70 D C 1.531 177.933 176.300 0.171 0.000 0.994 70 D CA 1.304 55.324 54.000 0.033 0.000 0.828 70 D CB -0.214 40.581 40.800 -0.008 0.000 0.963 70 D HN 0.347 nan 8.370 nan 0.000 0.450 71 F N 0.692 120.575 119.950 -0.112 0.000 2.216 71 F HA 0.059 4.586 4.527 -0.000 0.000 0.300 71 F C 2.417 178.175 175.800 -0.068 0.000 1.085 71 F CA 0.858 58.805 58.000 -0.089 0.000 1.326 71 F CB -1.002 37.938 39.000 -0.101 0.000 1.027 71 F HN 0.039 nan 8.300 nan 0.000 0.497 72 A N -0.357 122.530 122.820 0.111 0.000 1.930 72 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 72 A C 2.326 179.916 177.584 0.009 0.000 1.175 72 A CA 1.775 53.833 52.037 0.035 0.000 0.627 72 A CB -1.124 17.883 19.000 0.012 0.000 0.815 72 A HN 0.378 nan 8.150 nan 0.000 0.443 73 S N -0.509 115.201 115.700 0.016 0.000 2.507 73 S HA -0.079 4.391 4.470 -0.000 0.000 0.235 73 S C 1.569 176.161 174.600 -0.014 0.000 0.988 73 S CA 1.052 59.255 58.200 0.005 0.000 0.944 73 S CB -0.311 62.899 63.200 0.016 0.000 0.762 73 S HN 0.605 nan 8.310 nan 0.000 0.526 74 R N 0.300 120.778 120.500 -0.038 0.000 2.334 74 R HA 0.331 4.671 4.340 -0.000 0.000 0.216 74 R C 1.373 177.614 176.300 -0.099 0.000 0.905 74 R CA 0.405 56.454 56.100 -0.086 0.000 1.064 74 R CB 0.170 30.369 30.300 -0.168 0.000 1.046 74 R HN 0.532 nan 8.270 nan 0.000 0.508 75 G N 1.376 110.134 108.800 -0.070 0.000 2.141 75 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 75 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 75 G C 0.135 174.987 174.900 -0.079 0.000 0.982 75 G CA -0.322 44.740 45.100 -0.063 0.000 0.662 75 G HN 0.265 nan 8.290 nan 0.000 0.527 76 I N 2.061 122.571 120.570 -0.100 0.000 2.395 76 I HA 0.251 4.421 4.170 -0.000 0.000 0.282 76 I C 0.278 176.393 176.117 -0.004 0.000 1.107 76 I CA -0.444 60.799 61.300 -0.094 0.000 1.210 76 I CB 0.357 38.209 38.000 -0.245 0.000 1.456 76 I HN 0.166 nan 8.210 nan 0.000 0.504 77 E N 6.936 127.132 120.200 -0.007 0.000 2.289 77 E HA 0.539 4.889 4.350 -0.000 0.000 0.278 77 E C -0.650 175.957 176.600 0.013 0.000 1.032 77 E CA -0.261 56.142 56.400 0.005 0.000 0.854 77 E CB 1.331 31.027 29.700 -0.006 0.000 1.046 77 E HN 0.446 nan 8.360 nan 0.000 0.409 78 M N 1.439 121.048 119.600 0.015 0.000 2.386 78 M HA 0.221 4.701 4.480 -0.000 0.000 0.293 78 M C 0.480 176.779 176.300 -0.001 0.000 1.120 78 M CA -0.615 54.693 55.300 0.014 0.000 0.909 78 M CB 2.232 34.850 32.600 0.030 0.000 1.661 78 M HN 0.360 nan 8.290 nan 0.000 0.452 79 S N 0.567 116.267 115.700 0.001 0.000 2.349 79 S HA 0.020 4.490 4.470 -0.000 0.000 0.216 79 S C 0.400 174.996 174.600 -0.007 0.000 1.033 79 S CA 1.097 59.295 58.200 -0.004 0.000 1.021 79 S CB 0.053 63.254 63.200 0.002 0.000 0.968 79 S HN 0.642 nan 8.310 nan 0.000 0.426 80 E N 0.451 120.654 120.200 0.005 0.000 2.266 80 E HA 0.532 4.882 4.350 -0.000 0.000 0.268 80 E C -1.559 175.060 176.600 0.032 0.000 0.879 80 E CA -0.360 56.048 56.400 0.013 0.000 0.762 80 E CB 2.484 32.200 29.700 0.026 0.000 1.199 80 E HN -0.018 nan 8.360 nan 0.000 0.422 81 V N 3.674 123.618 119.914 0.050 0.000 2.349 81 V HA 0.406 4.526 4.120 -0.000 0.000 0.284 81 V C -0.134 176.097 176.094 0.229 0.000 1.014 81 V CA -0.565 61.796 62.300 0.102 0.000 0.826 81 V CB 1.328 33.172 31.823 0.035 0.000 1.009 81 V HN 0.441 nan 8.190 nan 0.000 0.431 82 R N 3.206 123.827 120.500 0.203 0.000 2.664 82 R HA 0.638 4.978 4.340 -0.000 0.000 0.286 82 R C -0.995 175.423 176.300 0.196 0.000 0.967 82 R CA -0.985 55.239 56.100 0.207 0.000 0.933 82 R CB 2.264 32.630 30.300 0.110 0.000 1.146 82 R HN 0.540 nan 8.270 nan 0.000 0.468 83 L N 2.968 124.241 121.223 0.083 0.000 2.268 83 L HA 0.262 4.602 4.340 -0.000 0.000 0.289 83 L C -0.507 176.301 176.870 -0.102 0.000 1.064 83 L CA -0.149 54.594 54.840 -0.161 0.000 0.824 83 L CB 0.497 42.213 42.059 -0.571 0.000 1.202 83 L HN 0.445 nan 8.230 nan 0.000 0.433 84 N N 4.416 123.079 118.700 -0.061 0.000 2.807 84 N HA -0.012 4.728 4.740 -0.000 0.000 0.259 84 N C 0.972 176.446 175.510 -0.059 0.000 1.149 84 N CA -0.151 52.876 53.050 -0.038 0.000 1.042 84 N CB 0.242 38.722 38.487 -0.011 0.000 1.367 84 N HN 0.756 nan 8.380 nan 0.000 0.516 85 L N 2.563 123.746 121.223 -0.066 0.000 2.081 85 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 85 L C 1.454 178.313 176.870 -0.019 0.000 1.080 85 L CA 1.849 56.660 54.840 -0.049 0.000 0.754 85 L CB -0.279 41.782 42.059 0.002 0.000 0.893 85 L HN 0.465 nan 8.230 nan 0.000 0.433 86 D N -0.560 119.834 120.400 -0.011 0.000 2.123 86 D HA -0.253 4.387 4.640 -0.000 0.000 0.196 86 D C 2.069 178.365 176.300 -0.007 0.000 0.992 86 D CA 1.563 55.562 54.000 -0.003 0.000 0.833 86 D CB 0.080 40.878 40.800 -0.002 0.000 0.954 86 D HN 0.414 nan 8.370 nan 0.000 0.455 87 K N 0.170 120.563 120.400 -0.012 0.000 2.167 87 K HA -0.000 4.320 4.320 -0.000 0.000 0.203 87 K C 2.183 178.774 176.600 -0.015 0.000 1.052 87 K CA 0.257 56.538 56.287 -0.010 0.000 0.956 87 K CB 0.023 32.520 32.500 -0.005 0.000 0.735 87 K HN 0.003 nan 8.250 nan 0.000 0.451 88 M N 0.110 119.692 119.600 -0.031 0.000 2.159 88 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 88 M C 1.698 177.975 176.300 -0.039 0.000 1.063 88 M CA 1.302 56.575 55.300 -0.044 0.000 1.110 88 M CB 0.132 32.678 32.600 -0.091 0.000 1.374 88 M HN 0.161 nan 8.290 nan 0.000 0.411 89 M N -0.319 119.265 119.600 -0.025 0.000 2.200 89 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 89 M C 1.947 178.241 176.300 -0.009 0.000 1.066 89 M CA 1.581 56.875 55.300 -0.010 0.000 1.127 89 M CB -1.318 31.291 32.600 0.014 0.000 1.379 89 M HN 0.433 nan 8.290 nan 0.000 0.420 90 E N 0.293 120.488 120.200 -0.008 0.000 2.038 90 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 90 E C 2.105 178.699 176.600 -0.009 0.000 1.000 90 E CA 1.432 57.828 56.400 -0.007 0.000 0.803 90 E CB -0.154 29.543 29.700 -0.005 0.000 0.750 90 E HN 0.325 nan 8.360 nan 0.000 0.448 91 Q N 1.348 121.143 119.800 -0.009 0.000 2.133 91 Q HA -0.268 4.072 4.340 -0.000 0.000 0.208 91 Q C 2.076 178.068 176.000 -0.013 0.000 0.991 91 Q CA 2.175 57.975 55.803 -0.006 0.000 0.867 91 Q CB -0.307 28.432 28.738 0.002 0.000 0.911 91 Q HN 0.319 nan 8.270 nan 0.000 0.417 92 K N -0.408 119.980 120.400 -0.019 0.000 1.978 92 K HA -0.112 4.208 4.320 -0.000 0.000 0.214 92 K C 2.206 178.792 176.600 -0.023 0.000 1.049 92 K CA 1.764 58.035 56.287 -0.026 0.000 0.939 92 K CB -0.186 32.296 32.500 -0.029 0.000 0.721 92 K HN 0.086 nan 8.250 nan 0.000 0.441 93 S N 0.457 116.146 115.700 -0.017 0.000 2.380 93 S HA -0.165 4.305 4.470 -0.000 0.000 0.229 93 S C 1.897 176.485 174.600 -0.021 0.000 1.043 93 S CA 2.007 60.197 58.200 -0.017 0.000 1.038 93 S CB -0.556 62.638 63.200 -0.011 0.000 0.872 93 S HN 0.509 nan 8.310 nan 0.000 0.456 94 T N 2.383 116.926 114.554 -0.019 0.000 2.643 94 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 94 T C 2.193 176.877 174.700 -0.027 0.000 1.045 94 T CA 1.343 63.430 62.100 -0.020 0.000 1.155 94 T CB -0.761 68.097 68.868 -0.015 0.000 0.863 94 T HN 0.486 nan 8.240 nan 0.000 0.420 95 A N 1.121 123.926 122.820 -0.027 0.000 1.903 95 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 95 A C 2.618 180.176 177.584 -0.044 0.000 1.191 95 A CA 2.096 54.114 52.037 -0.033 0.000 0.638 95 A CB -1.314 17.667 19.000 -0.032 0.000 0.823 95 A HN 0.361 nan 8.150 nan 0.000 0.451 96 V N 0.127 120.014 119.914 -0.044 0.000 2.261 96 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 96 V C 2.542 178.601 176.094 -0.059 0.000 1.047 96 V CA 2.525 64.793 62.300 -0.053 0.000 1.015 96 V CB -0.764 31.032 31.823 -0.045 0.000 0.642 96 V HN 0.745 nan 8.190 nan 0.000 0.446 97 K N 0.458 120.829 120.400 -0.047 0.000 2.009 97 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 97 K C 2.202 178.769 176.600 -0.055 0.000 1.049 97 K CA 1.849 58.108 56.287 -0.047 0.000 0.929 97 K CB -0.496 31.984 32.500 -0.034 0.000 0.714 97 K HN 0.393 nan 8.250 nan 0.000 0.440 98 A N 1.359 124.149 122.820 -0.050 0.000 1.873 98 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 98 A C 2.195 179.736 177.584 -0.072 0.000 1.193 98 A CA 1.813 53.818 52.037 -0.054 0.000 0.629 98 A CB -0.867 18.106 19.000 -0.045 0.000 0.826 98 A HN 0.385 nan 8.150 nan 0.000 0.447 99 L N -0.045 121.129 121.223 -0.080 0.000 2.131 99 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 99 L C 2.967 179.740 176.870 -0.162 0.000 1.092 99 L CA 1.770 56.544 54.840 -0.110 0.000 0.759 99 L CB -0.877 41.121 42.059 -0.102 0.000 0.903 99 L HN 0.730 nan 8.230 nan 0.000 0.435 100 T N -3.779 110.688 114.554 -0.145 0.000 2.857 100 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 100 T C 1.893 176.492 174.700 -0.169 0.000 1.048 100 T CA 0.944 62.937 62.100 -0.180 0.000 1.139 100 T CB -0.634 68.156 68.868 -0.130 0.000 0.874 100 T HN 0.359 nan 8.240 nan 0.000 0.455 101 G N 0.950 109.685 108.800 -0.109 0.000 2.448 101 G HA2 0.172 4.132 3.960 -0.000 0.000 0.218 101 G HA3 0.172 4.132 3.960 -0.000 0.000 0.218 101 G C 1.673 176.533 174.900 -0.066 0.000 1.135 101 G CA 0.468 45.524 45.100 -0.072 0.000 0.784 101 G HN 0.639 nan 8.290 nan 0.000 0.543 102 G N 0.970 109.715 108.800 -0.093 0.000 2.448 102 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 102 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 102 G C 1.637 176.471 174.900 -0.110 0.000 1.127 102 G CA 0.557 45.618 45.100 -0.066 0.000 0.766 102 G HN 0.459 nan 8.290 nan 0.000 0.552 103 I N 0.840 121.243 120.570 -0.278 0.000 2.876 103 I HA 0.020 4.190 4.170 -0.000 0.000 0.264 103 I C 3.068 178.927 176.117 -0.430 0.000 1.204 103 I CA 0.537 61.538 61.300 -0.499 0.000 1.485 103 I CB 0.025 37.512 38.000 -0.854 0.000 1.103 103 I HN 0.230 nan 8.210 nan 0.000 0.446 104 A N 0.433 123.120 122.820 -0.222 0.000 1.897 104 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 104 A C 2.187 179.793 177.584 0.037 0.000 1.181 104 A CA 1.717 53.713 52.037 -0.069 0.000 0.620 104 A CB -0.793 18.206 19.000 -0.003 0.000 0.821 104 A HN 0.455 nan 8.150 nan 0.000 0.443 105 H N -0.145 118.907 119.070 -0.030 0.000 2.357 105 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 105 H C 1.752 177.110 175.328 0.049 0.000 1.082 105 H CA 1.825 57.881 56.048 0.013 0.000 1.342 105 H CB -0.234 29.525 29.762 -0.005 0.000 1.389 105 H HN 0.342 nan 8.280 nan 0.000 0.511 106 L N -0.925 120.307 121.223 0.015 0.000 2.017 106 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 106 L C 2.121 179.083 176.870 0.153 0.000 1.073 106 L CA 0.867 55.737 54.840 0.050 0.000 0.745 106 L CB -0.463 41.660 42.059 0.107 0.000 0.894 106 L HN 0.275 nan 8.230 nan 0.000 0.432 107 F N 0.710 120.640 119.950 -0.033 0.000 2.134 107 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 107 F C 2.599 178.373 175.800 -0.043 0.000 1.097 107 F CA 1.402 59.391 58.000 -0.018 0.000 1.264 107 F CB -0.705 38.284 39.000 -0.017 0.000 1.001 107 F HN 0.041 nan 8.300 nan 0.000 0.479 108 K N 0.326 120.795 120.400 0.115 0.000 2.002 108 K HA -0.251 4.068 4.320 -0.000 0.000 0.209 108 K C 2.197 178.752 176.600 -0.075 0.000 1.048 108 K CA 1.706 57.992 56.287 -0.002 0.000 0.930 108 K CB -0.403 32.063 32.500 -0.057 0.000 0.714 108 K HN 0.259 nan 8.250 nan 0.000 0.438 109 Q N 0.181 119.868 119.800 -0.189 0.000 2.181 109 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 109 Q C 0.660 176.630 176.000 -0.050 0.000 0.980 109 Q CA 1.585 57.291 55.803 -0.162 0.000 0.862 109 Q CB 0.023 28.629 28.738 -0.220 0.000 0.905 109 Q HN 0.375 nan 8.270 nan 0.000 0.429 110 N N 0.522 119.217 118.700 -0.009 0.000 2.276 110 N HA 0.047 4.787 4.740 -0.000 0.000 0.212 110 N C -0.762 174.740 175.510 -0.013 0.000 1.127 110 N CA 0.134 53.186 53.050 0.004 0.000 0.834 110 N CB 0.529 39.037 38.487 0.035 0.000 1.014 110 N HN 0.198 nan 8.380 nan 0.000 0.491 111 K N 0.311 120.702 120.400 -0.016 0.000 3.156 111 K HA -0.138 4.182 4.320 -0.000 0.000 0.266 111 K C -0.701 175.871 176.600 -0.047 0.000 0.966 111 K CA 0.219 56.494 56.287 -0.020 0.000 0.719 111 K CB -1.570 30.921 32.500 -0.016 0.000 1.333 111 K HN -0.012 nan 8.250 nan 0.000 0.468 112 V N 1.377 121.240 119.914 -0.084 0.000 2.465 112 V HA 0.165 4.285 4.120 -0.000 0.000 0.279 112 V C 0.694 176.695 176.094 -0.155 0.000 1.045 112 V CA -0.800 61.369 62.300 -0.217 0.000 0.938 112 V CB 1.823 33.319 31.823 -0.545 0.000 0.986 112 V HN 0.099 nan 8.190 nan 0.000 0.467 113 V N 4.898 124.736 119.914 -0.127 0.000 2.408 113 V HA 0.169 4.289 4.120 -0.000 0.000 0.267 113 V C 0.071 176.177 176.094 0.020 0.000 1.047 113 V CA -0.446 61.834 62.300 -0.033 0.000 0.937 113 V CB 0.557 32.365 31.823 -0.024 0.000 0.999 113 V HN 0.863 nan 8.190 nan 0.000 0.472 114 H N 5.247 124.313 119.070 -0.007 0.000 2.705 114 H HA 0.459 5.015 4.556 -0.000 0.000 0.291 114 H C -0.762 174.593 175.328 0.046 0.000 1.085 114 H CA -0.667 55.421 56.048 0.066 0.000 1.357 114 H CB 1.114 30.988 29.762 0.186 0.000 1.419 114 H HN 0.362 nan 8.280 nan 0.000 0.462 115 V N 6.638 126.717 119.914 0.276 0.000 2.370 115 V HA 0.102 4.222 4.120 -0.000 0.000 0.279 115 V C 0.566 176.727 176.094 0.111 0.000 1.029 115 V CA -0.924 61.426 62.300 0.084 0.000 0.870 115 V CB 1.019 32.885 31.823 0.071 0.000 0.984 115 V HN 0.757 nan 8.190 nan 0.000 0.451 116 N N 4.307 122.974 118.700 -0.055 0.000 2.602 116 N HA 0.525 5.265 4.740 -0.000 0.000 0.238 116 N C -0.079 175.460 175.510 0.048 0.000 1.084 116 N CA 0.425 53.480 53.050 0.010 0.000 0.952 116 N CB 1.089 39.515 38.487 -0.101 0.000 1.244 116 N HN 0.935 nan 8.380 nan 0.000 0.512 117 G N 1.364 110.214 108.800 0.084 0.000 2.451 117 G HA2 0.145 4.105 3.960 -0.000 0.000 0.292 117 G HA3 0.145 4.105 3.960 -0.000 0.000 0.292 117 G C -2.186 172.789 174.900 0.124 0.000 1.427 117 G CA -0.729 44.430 45.100 0.099 0.000 0.792 117 G HN 0.284 nan 8.290 nan 0.000 0.498 118 Y N 1.762 122.086 120.300 0.040 0.000 2.556 118 Y HA 0.512 5.062 4.550 -0.000 0.000 0.352 118 Y C 0.956 176.886 175.900 0.050 0.000 1.006 118 Y CA 0.249 58.377 58.100 0.047 0.000 1.277 118 Y CB 0.436 38.927 38.460 0.052 0.000 1.136 118 Y HN 0.682 nan 8.280 nan 0.000 0.523 119 G N 5.033 113.808 108.800 -0.041 0.000 2.539 119 G HA2 0.362 4.322 3.960 -0.000 0.000 0.258 119 G HA3 0.362 4.322 3.960 -0.000 0.000 0.258 119 G C -1.316 173.622 174.900 0.063 0.000 1.202 119 G CA -0.656 44.456 45.100 0.019 0.000 0.851 119 G HN 0.636 nan 8.290 nan 0.000 0.556 120 K N 0.700 121.153 120.400 0.089 0.000 2.543 120 K HA 0.343 4.662 4.320 -0.000 0.000 0.255 120 K C -0.744 175.893 176.600 0.062 0.000 0.934 120 K CA -0.836 55.512 56.287 0.102 0.000 0.810 120 K CB 1.694 34.281 32.500 0.145 0.000 1.315 120 K HN 0.359 nan 8.250 nan 0.000 0.433 121 I N 5.125 125.726 120.570 0.051 0.000 2.389 121 I HA -0.005 4.165 4.170 -0.000 0.000 0.295 121 I C 1.275 177.413 176.117 0.035 0.000 1.117 121 I CA 0.037 61.359 61.300 0.036 0.000 1.317 121 I CB 0.779 38.796 38.000 0.029 0.000 1.431 121 I HN 0.835 nan 8.210 nan 0.000 0.521 122 T N 1.371 115.945 114.554 0.032 0.000 3.031 122 T HA 0.176 4.526 4.350 -0.000 0.000 0.254 122 T C 0.835 175.547 174.700 0.020 0.000 1.060 122 T CA 0.134 62.251 62.100 0.028 0.000 1.135 122 T CB 0.352 69.238 68.868 0.029 0.000 0.896 122 T HN 0.586 nan 8.240 nan 0.000 0.472 123 G N -0.074 108.737 108.800 0.017 0.000 2.667 123 G HA2 0.481 4.441 3.960 -0.000 0.000 0.298 123 G HA3 0.481 4.441 3.960 -0.000 0.000 0.298 123 G C 0.002 174.908 174.900 0.010 0.000 1.377 123 G CA -0.913 44.195 45.100 0.012 0.000 0.964 123 G HN 0.021 nan 8.290 nan 0.000 0.493 124 K N -0.151 120.253 120.400 0.007 0.000 2.442 124 K HA -0.099 4.221 4.320 -0.000 0.000 0.200 124 K C 0.594 177.198 176.600 0.006 0.000 1.045 124 K CA 1.245 57.535 56.287 0.004 0.000 0.937 124 K CB 0.086 32.586 32.500 -0.001 0.000 0.757 124 K HN 0.435 nan 8.250 nan 0.000 0.474 125 N N -0.256 118.449 118.700 0.007 0.000 2.232 125 N HA 0.018 4.758 4.740 -0.000 0.000 0.240 125 N C -1.191 174.323 175.510 0.007 0.000 1.307 125 N CA -0.147 52.907 53.050 0.007 0.000 0.859 125 N CB 1.034 39.525 38.487 0.007 0.000 1.260 125 N HN 0.042 nan 8.380 nan 0.000 0.501 126 Q N 0.871 120.676 119.800 0.009 0.000 2.359 126 Q HA 0.597 4.937 4.340 -0.000 0.000 0.274 126 Q C -1.875 174.134 176.000 0.015 0.000 1.074 126 Q CA -0.661 55.149 55.803 0.011 0.000 0.810 126 Q CB 2.212 30.957 28.738 0.012 0.000 1.342 126 Q HN -0.081 nan 8.270 nan 0.000 0.427 127 V N 2.399 122.323 119.914 0.016 0.000 2.569 127 V HA 0.413 4.533 4.120 -0.000 0.000 0.301 127 V C -0.804 175.305 176.094 0.026 0.000 1.044 127 V CA -0.591 61.722 62.300 0.021 0.000 0.874 127 V CB 2.111 33.943 31.823 0.015 0.000 1.002 127 V HN 0.859 nan 8.190 nan 0.000 0.424 128 T N 4.142 118.719 114.554 0.037 0.000 2.758 128 T HA 0.643 4.993 4.350 -0.000 0.000 0.285 128 T C 0.135 174.870 174.700 0.060 0.000 0.981 128 T CA -0.229 61.896 62.100 0.042 0.000 0.965 128 T CB 1.475 70.368 68.868 0.042 0.000 0.927 128 T HN 0.886 nan 8.240 nan 0.000 0.448 129 A N 3.336 126.190 122.820 0.056 0.000 2.341 129 A HA 0.538 4.858 4.320 -0.000 0.000 0.326 129 A C 0.582 178.213 177.584 0.079 0.000 1.402 129 A CA -0.730 51.351 52.037 0.073 0.000 0.957 129 A CB -0.073 18.961 19.000 0.056 0.000 1.151 129 A HN 0.701 nan 8.150 nan 0.000 0.533 130 T N 4.260 118.879 114.554 0.108 0.000 2.776 130 T HA 0.150 4.500 4.350 -0.000 0.000 0.292 130 T C 0.678 175.432 174.700 0.090 0.000 0.921 130 T CA 0.032 62.184 62.100 0.086 0.000 1.038 130 T CB -0.037 68.877 68.868 0.077 0.000 0.910 130 T HN 0.657 nan 8.240 nan 0.000 0.536 131 K N 1.502 121.939 120.400 0.061 0.000 2.170 131 K HA 0.261 4.581 4.320 -0.000 0.000 0.241 131 K C 1.793 178.421 176.600 0.047 0.000 1.071 131 K CA -0.164 56.154 56.287 0.053 0.000 0.822 131 K CB 0.134 32.651 32.500 0.029 0.000 1.097 131 K HN 0.529 nan 8.250 nan 0.000 0.522 132 A N 1.676 124.519 122.820 0.038 0.000 1.841 132 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 132 A C 1.443 179.037 177.584 0.016 0.000 1.195 132 A CA 2.052 54.106 52.037 0.028 0.000 0.611 132 A CB -0.697 18.317 19.000 0.024 0.000 0.835 132 A HN 0.909 nan 8.150 nan 0.000 0.443 133 D N -1.264 119.144 120.400 0.013 0.000 2.379 133 D HA 0.156 4.796 4.640 -0.000 0.000 0.243 133 D C 1.199 177.504 176.300 0.008 0.000 1.088 133 D CA 1.154 55.159 54.000 0.008 0.000 0.925 133 D CB -0.535 40.269 40.800 0.006 0.000 0.888 133 D HN 0.824 nan 8.370 nan 0.000 0.529 134 G N 0.120 108.926 108.800 0.011 0.000 2.320 134 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 134 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 134 G C 0.743 175.651 174.900 0.013 0.000 1.033 134 G CA 0.132 45.238 45.100 0.010 0.000 0.620 134 G HN 0.790 nan 8.290 nan 0.000 0.517 135 G N 0.817 109.624 108.800 0.013 0.000 2.414 135 G HA2 0.543 4.503 3.960 -0.000 0.000 0.236 135 G HA3 0.543 4.503 3.960 -0.000 0.000 0.236 135 G C 0.602 175.513 174.900 0.018 0.000 1.293 135 G CA 1.637 46.745 45.100 0.012 0.000 0.869 135 G HN 1.506 nan 8.290 nan 0.000 0.556 136 T N -1.455 113.110 114.554 0.018 0.000 2.844 136 T HA 0.709 5.059 4.350 -0.000 0.000 0.274 136 T C -0.456 174.256 174.700 0.019 0.000 0.991 136 T CA -0.772 61.342 62.100 0.024 0.000 0.983 136 T CB 2.124 71.007 68.868 0.025 0.000 1.310 136 T HN 0.673 nan 8.240 nan 0.000 0.596 137 Q N 0.165 119.979 119.800 0.023 0.000 2.443 137 Q HA 0.489 4.829 4.340 -0.000 0.000 0.241 137 Q C -2.082 173.930 176.000 0.021 0.000 0.880 137 Q CA -0.452 55.361 55.803 0.018 0.000 0.974 137 Q CB 1.317 30.064 28.738 0.016 0.000 1.482 137 Q HN 0.744 nan 8.270 nan 0.000 0.448 138 V N 5.137 125.061 119.914 0.016 0.000 2.644 138 V HA 0.642 4.762 4.120 -0.000 0.000 0.295 138 V C 0.050 176.151 176.094 0.012 0.000 1.053 138 V CA -0.435 61.875 62.300 0.016 0.000 0.987 138 V CB 1.569 33.401 31.823 0.014 0.000 1.006 138 V HN 0.787 nan 8.190 nan 0.000 0.472 139 I N 2.714 123.291 120.570 0.012 0.000 2.500 139 I HA 0.365 4.535 4.170 -0.000 0.000 0.286 139 I C -1.017 175.103 176.117 0.005 0.000 1.063 139 I CA -0.434 60.870 61.300 0.007 0.000 1.062 139 I CB 1.929 39.932 38.000 0.004 0.000 1.223 139 I HN 0.503 nan 8.210 nan 0.000 0.435 140 D N 4.268 124.670 120.400 0.004 0.000 2.198 140 D HA 0.451 5.090 4.640 -0.000 0.000 0.245 140 D C -0.341 175.959 176.300 -0.001 0.000 1.079 140 D CA 0.265 54.267 54.000 0.004 0.000 0.854 140 D CB 2.597 43.401 40.800 0.006 0.000 1.148 140 D HN 0.438 nan 8.370 nan 0.000 0.456 141 T N 0.464 115.017 114.554 -0.003 0.000 2.843 141 T HA 0.227 4.577 4.350 -0.000 0.000 0.302 141 T C 0.605 175.301 174.700 -0.007 0.000 1.232 141 T CA -0.600 61.493 62.100 -0.011 0.000 1.009 141 T CB 1.498 70.352 68.868 -0.024 0.000 1.254 141 T HN 0.197 nan 8.240 nan 0.000 0.504 142 K N 1.075 121.467 120.400 -0.014 0.000 2.098 142 K HA 0.215 4.534 4.320 -0.000 0.000 0.203 142 K C 0.498 177.100 176.600 0.003 0.000 1.051 142 K CA 0.495 56.781 56.287 -0.003 0.000 0.957 142 K CB 0.077 32.576 32.500 -0.002 0.000 0.738 142 K HN 0.404 nan 8.250 nan 0.000 0.447 143 N N 0.681 119.365 118.700 -0.026 0.000 2.240 143 N HA 0.389 5.129 4.740 -0.000 0.000 0.302 143 N C -1.053 174.460 175.510 0.005 0.000 1.106 143 N CA -0.495 52.567 53.050 0.020 0.000 0.778 143 N CB 2.466 40.938 38.487 -0.024 0.000 1.431 143 N HN -0.068 nan 8.380 nan 0.000 0.479 144 I N 1.594 122.208 120.570 0.074 0.000 2.436 144 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 144 I C -0.918 175.265 176.117 0.110 0.000 1.010 144 I CA -0.843 60.488 61.300 0.051 0.000 1.098 144 I CB 2.046 40.071 38.000 0.042 0.000 1.266 144 I HN 0.183 nan 8.210 nan 0.000 0.434 145 L N 8.335 129.583 121.223 0.042 0.000 2.318 145 L HA 0.544 4.884 4.340 -0.000 0.000 0.277 145 L C -0.558 176.332 176.870 0.034 0.000 1.008 145 L CA -0.150 54.720 54.840 0.050 0.000 0.846 145 L CB 0.882 42.908 42.059 -0.056 0.000 1.220 145 L HN 0.399 nan 8.230 nan 0.000 0.423 146 I N 5.503 126.111 120.570 0.063 0.000 2.379 146 I HA 0.361 4.531 4.170 -0.000 0.000 0.290 146 I C 0.662 176.801 176.117 0.036 0.000 1.063 146 I CA 0.129 61.456 61.300 0.045 0.000 1.351 146 I CB 1.088 39.123 38.000 0.058 0.000 1.410 146 I HN 0.828 nan 8.210 nan 0.000 0.505 147 A N 3.885 126.714 122.820 0.015 0.000 2.959 147 A HA 0.215 4.535 4.320 -0.000 0.000 0.280 147 A C 1.168 178.753 177.584 0.001 0.000 0.953 147 A CA -0.322 51.718 52.037 0.005 0.000 1.047 147 A CB -0.384 18.610 19.000 -0.010 0.000 1.147 147 A HN 0.752 nan 8.150 nan 0.000 0.489 148 T N -3.110 111.454 114.554 0.017 0.000 3.007 148 T HA 0.349 4.699 4.350 -0.000 0.000 0.270 148 T C 1.557 176.265 174.700 0.014 0.000 1.107 148 T CA 1.292 63.400 62.100 0.013 0.000 1.118 148 T CB -0.345 68.578 68.868 0.090 0.000 0.889 148 T HN 2.001 nan 8.240 nan 0.000 0.506 149 G N 1.480 110.303 108.800 0.037 0.000 2.527 149 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.268 149 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.268 149 G C 0.049 175.007 174.900 0.097 0.000 1.175 149 G CA 0.561 45.682 45.100 0.036 0.000 0.962 149 G HN 1.617 nan 8.290 nan 0.000 0.560 150 S N -0.668 115.082 115.700 0.084 0.000 2.794 150 S HA 0.832 5.302 4.470 -0.000 0.000 0.299 150 S C -0.693 174.000 174.600 0.155 0.000 1.179 150 S CA 0.398 58.686 58.200 0.146 0.000 0.838 150 S CB 2.363 65.615 63.200 0.087 0.000 1.206 150 S HN 1.849 nan 8.310 nan 0.000 0.523 151 E N -0.620 119.696 120.200 0.193 0.000 2.449 151 E HA 0.642 4.992 4.350 -0.000 0.000 0.278 151 E C -1.439 175.235 176.600 0.123 0.000 0.992 151 E CA -1.319 55.190 56.400 0.182 0.000 0.807 151 E CB 1.357 31.264 29.700 0.344 0.000 1.350 151 E HN 0.400 nan 8.360 nan 0.000 0.462 152 V N 1.625 121.602 119.914 0.105 0.000 2.599 152 V HA 0.056 4.176 4.120 -0.000 0.000 0.300 152 V C 0.074 176.217 176.094 0.081 0.000 1.034 152 V CA 0.309 62.660 62.300 0.085 0.000 1.115 152 V CB 0.837 32.708 31.823 0.080 0.000 0.934 152 V HN 0.687 nan 8.190 nan 0.000 0.485 153 T N 8.810 123.403 114.554 0.065 0.000 2.752 153 T HA 0.226 4.576 4.350 -0.000 0.000 0.295 153 T C -1.833 172.901 174.700 0.057 0.000 0.923 153 T CA -0.525 61.602 62.100 0.044 0.000 1.112 153 T CB 0.714 69.593 68.868 0.019 0.000 0.884 153 T HN 0.615 nan 8.240 nan 0.000 0.525 154 P HA 0.284 nan 4.420 nan 0.000 0.274 154 P C -0.881 176.493 177.300 0.123 0.000 1.256 154 P CA -0.642 62.516 63.100 0.096 0.000 0.795 154 P CB 0.667 32.416 31.700 0.081 0.000 1.038 155 F N 2.680 122.634 119.950 0.006 0.000 2.375 155 F HA 0.377 4.904 4.527 -0.000 0.000 0.361 155 F C -2.094 173.704 175.800 -0.002 0.000 1.117 155 F CA -3.314 54.686 58.000 -0.001 0.000 1.037 155 F CB 0.698 39.700 39.000 0.004 0.000 1.192 155 F HN 0.124 nan 8.300 nan 0.000 0.452 156 P HA 0.198 nan 4.420 nan 0.000 0.265 156 P C 0.568 178.027 177.300 0.265 0.000 1.187 156 P CA 1.293 64.524 63.100 0.218 0.000 0.766 156 P CB 1.096 32.863 31.700 0.113 0.000 0.820 157 G N 3.084 111.957 108.800 0.122 0.000 2.454 157 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.225 157 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.225 157 G C 0.116 175.012 174.900 -0.006 0.000 1.138 157 G CA -0.027 45.107 45.100 0.056 0.000 0.667 157 G HN 0.548 nan 8.290 nan 0.000 0.512 158 I N 2.674 123.223 120.570 -0.034 0.000 2.315 158 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 158 I C -0.096 176.010 176.117 -0.018 0.000 1.006 158 I CA -0.265 60.975 61.300 -0.101 0.000 1.265 158 I CB 1.677 39.511 38.000 -0.276 0.000 1.387 158 I HN 0.054 nan 8.210 nan 0.000 0.475 159 T N 7.239 121.780 114.554 -0.022 0.000 2.758 159 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 159 T C 0.152 174.848 174.700 -0.006 0.000 0.981 159 T CA -0.389 61.711 62.100 0.000 0.000 0.965 159 T CB 0.813 69.681 68.868 0.000 0.000 0.927 159 T HN 0.275 nan 8.240 nan 0.000 0.448 160 I N 4.128 124.705 120.570 0.010 0.000 2.436 160 I HA 0.103 4.273 4.170 -0.000 0.000 0.289 160 I C 0.910 177.029 176.117 0.003 0.000 1.083 160 I CA -0.190 61.114 61.300 0.007 0.000 1.372 160 I CB 0.645 38.661 38.000 0.026 0.000 1.408 160 I HN 0.712 nan 8.210 nan 0.000 0.516 161 D N 4.867 125.262 120.400 -0.009 0.000 2.369 161 D HA -0.060 4.580 4.640 -0.000 0.000 0.211 161 D C 0.588 176.881 176.300 -0.012 0.000 1.077 161 D CA -0.036 53.958 54.000 -0.010 0.000 0.842 161 D CB 0.143 40.932 40.800 -0.018 0.000 0.947 161 D HN 0.449 nan 8.370 nan 0.000 0.509 162 E N -0.367 119.826 120.200 -0.013 0.000 3.065 162 E HA -0.274 4.076 4.350 -0.000 0.000 0.277 162 E C 0.171 176.753 176.600 -0.030 0.000 1.008 162 E CA 1.474 57.865 56.400 -0.015 0.000 0.864 162 E CB -1.553 28.146 29.700 -0.001 0.000 1.439 162 E HN 0.655 nan 8.360 nan 0.000 0.445 163 D N -1.019 119.357 120.400 -0.039 0.000 3.161 163 D HA 0.055 4.695 4.640 -0.000 0.000 0.287 163 D C 1.582 177.837 176.300 -0.074 0.000 1.343 163 D CA 1.533 55.502 54.000 -0.052 0.000 1.070 163 D CB -0.028 40.747 40.800 -0.042 0.000 1.188 163 D HN 0.021 nan 8.370 nan 0.000 0.409 164 T N -1.262 113.251 114.554 -0.069 0.000 2.999 164 T HA 0.342 4.692 4.350 -0.000 0.000 0.247 164 T C 0.397 175.047 174.700 -0.082 0.000 1.012 164 T CA -0.173 61.876 62.100 -0.084 0.000 1.048 164 T CB 0.084 68.908 68.868 -0.073 0.000 1.020 164 T HN 0.090 nan 8.240 nan 0.000 0.478 165 I N 3.838 124.371 120.570 -0.063 0.000 2.388 165 I HA 0.408 4.578 4.170 -0.000 0.000 0.281 165 I C -0.164 175.930 176.117 -0.039 0.000 1.046 165 I CA -0.897 60.371 61.300 -0.055 0.000 1.187 165 I CB 1.419 39.389 38.000 -0.050 0.000 1.351 165 I HN 0.077 nan 8.210 nan 0.000 0.472 166 V N 2.682 122.572 119.914 -0.039 0.000 3.234 166 V HA 0.805 4.925 4.120 -0.000 0.000 0.317 166 V C 0.188 176.288 176.094 0.011 0.000 1.147 166 V CA -0.386 61.903 62.300 -0.019 0.000 1.037 166 V CB 1.725 33.526 31.823 -0.037 0.000 1.148 166 V HN 0.655 nan 8.190 nan 0.000 0.455 167 S N -0.277 115.439 115.700 0.028 0.000 2.801 167 S HA 0.431 4.901 4.470 -0.000 0.000 0.312 167 S C 1.210 175.846 174.600 0.060 0.000 1.112 167 S CA 0.092 58.322 58.200 0.051 0.000 0.943 167 S CB 0.977 64.210 63.200 0.055 0.000 1.269 167 S HN 1.707 nan 8.310 nan 0.000 0.558 168 S N 0.250 115.995 115.700 0.074 0.000 2.400 168 S HA -0.117 4.353 4.470 -0.000 0.000 0.232 168 S C 1.652 176.299 174.600 0.077 0.000 1.025 168 S CA 1.720 59.972 58.200 0.087 0.000 0.993 168 S CB -1.510 61.741 63.200 0.085 0.000 0.808 168 S HN 0.764 nan 8.310 nan 0.000 0.478 169 T N 1.999 116.588 114.554 0.058 0.000 2.737 169 T HA 0.050 4.400 4.350 -0.000 0.000 0.265 169 T C 2.061 176.790 174.700 0.047 0.000 1.038 169 T CA 1.423 63.551 62.100 0.046 0.000 1.144 169 T CB -0.992 67.896 68.868 0.034 0.000 0.866 169 T HN 0.633 nan 8.240 nan 0.000 0.434 170 G N 0.744 109.565 108.800 0.036 0.000 2.421 170 G HA2 0.074 4.034 3.960 -0.000 0.000 0.217 170 G HA3 0.074 4.034 3.960 -0.000 0.000 0.217 170 G C 1.757 176.673 174.900 0.028 0.000 1.143 170 G CA 0.751 45.861 45.100 0.018 0.000 0.784 170 G HN 0.560 nan 8.290 nan 0.000 0.541 171 A N 0.494 123.350 122.820 0.060 0.000 1.969 171 A HA 0.203 4.523 4.320 -0.000 0.000 0.218 171 A C 2.236 180.004 177.584 0.306 0.000 1.169 171 A CA 0.699 52.809 52.037 0.122 0.000 0.635 171 A CB -0.262 18.831 19.000 0.156 0.000 0.810 171 A HN 0.346 nan 8.150 nan 0.000 0.445 172 L N -0.599 120.747 121.223 0.204 0.000 2.552 172 L HA 0.030 4.370 4.340 -0.000 0.000 0.227 172 L C 0.700 177.678 176.870 0.181 0.000 1.146 172 L CA 0.590 55.541 54.840 0.186 0.000 0.858 172 L CB 0.165 42.280 42.059 0.094 0.000 0.969 172 L HN 0.225 nan 8.230 nan 0.000 0.451 173 S N -0.093 115.705 115.700 0.163 0.000 2.901 173 S HA 0.326 4.796 4.470 -0.000 0.000 0.248 173 S C 0.113 174.762 174.600 0.082 0.000 1.021 173 S CA -0.495 57.777 58.200 0.119 0.000 1.090 173 S CB 0.322 63.558 63.200 0.059 0.000 1.039 173 S HN 0.073 nan 8.310 nan 0.000 0.514 174 L N 2.121 123.400 121.223 0.094 0.000 2.455 174 L HA 0.198 4.538 4.340 -0.000 0.000 0.272 174 L C 1.468 178.317 176.870 -0.034 0.000 1.174 174 L CA -0.278 54.487 54.840 -0.126 0.000 0.869 174 L CB 0.496 42.190 42.059 -0.608 0.000 1.130 174 L HN 0.096 nan 8.230 nan 0.000 0.474 175 K N 2.374 122.735 120.400 -0.064 0.000 2.217 175 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 175 K C 0.418 177.000 176.600 -0.029 0.000 1.051 175 K CA 0.988 57.259 56.287 -0.027 0.000 0.952 175 K CB 0.004 32.483 32.500 -0.036 0.000 0.736 175 K HN 0.452 nan 8.250 nan 0.000 0.453 176 K N 0.329 120.676 120.400 -0.088 0.000 2.498 176 K HA 0.226 4.546 4.320 -0.000 0.000 0.254 176 K C -1.032 175.480 176.600 -0.147 0.000 0.933 176 K CA -0.504 55.739 56.287 -0.074 0.000 0.806 176 K CB 2.234 34.689 32.500 -0.075 0.000 1.301 176 K HN -0.316 nan 8.250 nan 0.000 0.432 177 V N 4.845 124.735 119.914 -0.039 0.000 2.540 177 V HA 0.100 4.220 4.120 -0.000 0.000 0.297 177 V C -2.013 173.997 176.094 -0.139 0.000 1.024 177 V CA -0.945 61.339 62.300 -0.027 0.000 1.105 177 V CB 0.256 32.148 31.823 0.116 0.000 0.938 177 V HN 0.756 nan 8.190 nan 0.000 0.482 178 P HA 0.158 nan 4.420 nan 0.000 0.272 178 P C 0.722 177.954 177.300 -0.113 0.000 1.223 178 P CA -0.289 62.688 63.100 -0.206 0.000 0.784 178 P CB 1.016 32.545 31.700 -0.286 0.000 0.923 179 E N 1.224 121.368 120.200 -0.093 0.000 2.042 179 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 179 E C 0.265 176.824 176.600 -0.067 0.000 0.974 179 E CA 0.823 57.185 56.400 -0.063 0.000 0.806 179 E CB 0.205 29.873 29.700 -0.052 0.000 0.769 179 E HN 0.263 nan 8.360 nan 0.000 0.451 180 K N 0.466 120.818 120.400 -0.080 0.000 2.378 180 K HA 0.365 4.685 4.320 -0.000 0.000 0.252 180 K C -1.380 175.160 176.600 -0.100 0.000 0.931 180 K CA -0.554 55.686 56.287 -0.079 0.000 0.794 180 K CB 1.614 34.077 32.500 -0.061 0.000 1.181 180 K HN 0.011 nan 8.250 nan 0.000 0.425 181 M N 4.707 124.243 119.600 -0.106 0.000 2.326 181 M HA 0.380 4.860 4.480 -0.000 0.000 0.292 181 M C -1.835 174.413 176.300 -0.087 0.000 1.081 181 M CA -0.873 54.357 55.300 -0.116 0.000 0.919 181 M CB 2.022 34.531 32.600 -0.151 0.000 1.634 181 M HN 0.401 nan 8.290 nan 0.000 0.451 182 V N 5.038 124.914 119.914 -0.063 0.000 2.417 182 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 182 V C -0.687 175.409 176.094 0.005 0.000 1.024 182 V CA -0.688 61.598 62.300 -0.025 0.000 0.861 182 V CB 1.834 33.645 31.823 -0.020 0.000 0.985 182 V HN 0.676 nan 8.190 nan 0.000 0.436 183 V N 6.276 126.223 119.914 0.054 0.000 2.417 183 V HA 0.481 4.601 4.120 -0.000 0.000 0.291 183 V C -0.046 176.128 176.094 0.132 0.000 1.024 183 V CA -0.478 61.884 62.300 0.104 0.000 0.861 183 V CB 1.708 33.634 31.823 0.171 0.000 0.985 183 V HN 0.662 nan 8.190 nan 0.000 0.436 184 I N 4.595 125.243 120.570 0.131 0.000 2.312 184 I HA 0.646 4.816 4.170 -0.000 0.000 0.291 184 I C 0.826 177.051 176.117 0.179 0.000 1.031 184 I CA 0.105 61.506 61.300 0.167 0.000 1.293 184 I CB 0.939 39.060 38.000 0.201 0.000 1.403 184 I HN 0.904 nan 8.210 nan 0.000 0.484 185 G N 4.606 113.514 108.800 0.180 0.000 3.338 185 G HA2 0.074 4.034 3.960 -0.000 0.000 0.686 185 G HA3 0.074 4.034 3.960 -0.000 0.000 0.686 185 G C -0.285 174.721 174.900 0.176 0.000 1.053 185 G CA -0.350 44.846 45.100 0.159 0.000 0.852 185 G HN 0.962 nan 8.290 nan 0.000 0.545 186 A N 2.022 124.929 122.820 0.145 0.000 3.159 186 A HA 0.778 5.098 4.320 -0.000 0.000 0.301 186 A C 1.334 178.985 177.584 0.112 0.000 1.271 186 A CA 1.024 53.153 52.037 0.153 0.000 0.998 186 A CB -0.190 18.865 19.000 0.091 0.000 1.101 186 A HN 2.103 nan 8.150 nan 0.000 0.610 187 G N -1.214 107.671 108.800 0.140 0.000 2.563 187 G HA2 0.375 4.335 3.960 -0.000 0.000 0.283 187 G HA3 0.375 4.335 3.960 -0.000 0.000 0.283 187 G C 1.098 176.119 174.900 0.202 0.000 1.309 187 G CA 0.080 45.272 45.100 0.153 0.000 1.022 187 G HN 0.168 nan 8.290 nan 0.000 0.501 188 V N 0.280 120.325 119.914 0.218 0.000 2.278 188 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 188 V C 2.824 179.054 176.094 0.226 0.000 1.062 188 V CA 1.939 64.382 62.300 0.238 0.000 1.038 188 V CB -0.724 31.223 31.823 0.206 0.000 0.646 188 V HN 0.587 nan 8.190 nan 0.000 0.447 189 I N 0.441 121.123 120.570 0.187 0.000 2.226 189 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 189 I C 2.549 178.787 176.117 0.201 0.000 1.100 189 I CA 1.754 63.158 61.300 0.173 0.000 1.374 189 I CB -0.918 37.163 38.000 0.136 0.000 1.057 189 I HN 0.429 nan 8.210 nan 0.000 0.413 190 G N 0.257 109.186 108.800 0.216 0.000 2.421 190 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 190 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 190 G C 1.686 176.797 174.900 0.351 0.000 1.143 190 G CA 0.520 45.771 45.100 0.252 0.000 0.784 190 G HN 0.233 nan 8.290 nan 0.000 0.541 191 V N 0.589 120.718 119.914 0.359 0.000 2.379 191 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 191 V C 2.615 178.991 176.094 0.468 0.000 1.044 191 V CA 1.918 64.486 62.300 0.447 0.000 1.036 191 V CB -0.412 31.619 31.823 0.347 0.000 0.664 191 V HN 0.425 nan 8.190 nan 0.000 0.453 192 E N 0.268 120.676 120.200 0.345 0.000 2.031 192 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 192 E C 2.262 178.991 176.600 0.215 0.000 0.994 192 E CA 1.368 57.934 56.400 0.277 0.000 0.800 192 E CB -0.227 29.606 29.700 0.223 0.000 0.752 192 E HN 0.474 nan 8.360 nan 0.000 0.447 193 L N 0.355 121.705 121.223 0.211 0.000 2.083 193 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 193 L C 2.576 179.572 176.870 0.209 0.000 1.083 193 L CA 1.134 56.090 54.840 0.193 0.000 0.752 193 L CB -0.653 41.543 42.059 0.229 0.000 0.899 193 L HN 0.248 nan 8.230 nan 0.000 0.433 194 G N -1.289 107.641 108.800 0.218 0.000 2.418 194 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 194 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 194 G C 1.805 176.538 174.900 -0.280 0.000 1.158 194 G CA 0.969 46.047 45.100 -0.037 0.000 0.771 194 G HN 0.332 nan 8.290 nan 0.000 0.545 195 S N -0.554 115.193 115.700 0.078 0.000 2.402 195 S HA -0.065 4.404 4.470 -0.000 0.000 0.229 195 S C 2.509 177.077 174.600 -0.053 0.000 1.021 195 S CA 1.228 59.468 58.200 0.067 0.000 0.974 195 S CB -0.217 63.173 63.200 0.317 0.000 0.800 195 S HN 0.120 nan 8.310 nan 0.000 0.484 196 V N 0.185 120.039 119.914 -0.099 0.000 2.261 196 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 196 V C 1.942 177.776 176.094 -0.433 0.000 1.047 196 V CA 1.995 64.114 62.300 -0.301 0.000 1.015 196 V CB -0.792 30.761 31.823 -0.450 0.000 0.642 196 V HN 0.678 nan 8.190 nan 0.000 0.446 197 W N -0.653 120.579 121.300 -0.113 0.000 2.436 197 W HA -0.107 4.553 4.660 -0.000 0.000 0.284 197 W C 2.637 179.048 176.519 -0.180 0.000 1.225 197 W CA 0.965 58.224 57.345 -0.143 0.000 1.271 197 W CB -0.279 29.095 29.460 -0.144 0.000 1.114 197 W HN 0.170 nan 8.180 nan 0.000 0.559 198 Q N 1.462 121.209 119.800 -0.089 0.000 2.020 198 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 198 Q C 2.063 177.996 176.000 -0.111 0.000 0.982 198 Q CA 1.743 57.445 55.803 -0.167 0.000 0.838 198 Q CB -0.452 28.091 28.738 -0.325 0.000 0.899 198 Q HN 0.296 nan 8.270 nan 0.000 0.423 199 R N -0.093 120.335 120.500 -0.121 0.000 2.133 199 R HA -0.117 4.223 4.340 -0.000 0.000 0.247 199 R C 2.440 178.738 176.300 -0.003 0.000 1.151 199 R CA 1.498 57.538 56.100 -0.100 0.000 0.971 199 R CB -0.345 29.920 30.300 -0.060 0.000 0.866 199 R HN 0.300 nan 8.270 nan 0.000 0.447 200 L N -1.414 119.772 121.223 -0.062 0.000 2.478 200 L HA 0.087 4.427 4.340 -0.000 0.000 0.223 200 L C 1.473 178.317 176.870 -0.042 0.000 1.140 200 L CA 0.812 55.583 54.840 -0.116 0.000 0.842 200 L CB 0.217 42.157 42.059 -0.198 0.000 0.953 200 L HN 0.568 nan 8.230 nan 0.000 0.452 201 G N -1.088 107.712 108.800 0.000 0.000 3.033 201 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.208 201 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.208 201 G C 0.332 175.232 174.900 -0.000 0.000 1.006 201 G CA -0.148 44.953 45.100 0.002 0.000 0.808 201 G HN 0.314 nan 8.290 nan 0.000 0.499 202 A N 0.653 123.482 122.820 0.014 0.000 2.386 202 A HA 0.514 4.834 4.320 -0.000 0.000 0.248 202 A C -0.047 177.497 177.584 -0.067 0.000 1.082 202 A CA 0.457 52.480 52.037 -0.023 0.000 0.789 202 A CB 0.411 19.407 19.000 -0.006 0.000 1.025 202 A HN 0.275 nan 8.150 nan 0.000 0.490 203 D N 1.936 122.290 120.400 -0.076 0.000 2.347 203 D HA 0.387 5.027 4.640 -0.000 0.000 0.235 203 D C -0.969 175.256 176.300 -0.125 0.000 1.149 203 D CA 0.071 54.020 54.000 -0.086 0.000 0.850 203 D CB 0.822 41.586 40.800 -0.060 0.000 1.061 203 D HN 0.116 nan 8.370 nan 0.000 0.487 204 V N 3.528 123.326 119.914 -0.193 0.000 2.513 204 V HA 0.464 4.584 4.120 -0.000 0.000 0.299 204 V C 0.267 176.234 176.094 -0.212 0.000 1.035 204 V CA -0.545 61.591 62.300 -0.272 0.000 0.889 204 V CB 2.027 33.522 31.823 -0.547 0.000 0.988 204 V HN 0.557 nan 8.190 nan 0.000 0.440 205 T N 3.582 118.065 114.554 -0.119 0.000 2.928 205 T HA 0.693 5.043 4.350 -0.000 0.000 0.296 205 T C -0.308 174.416 174.700 0.039 0.000 1.000 205 T CA -0.329 61.748 62.100 -0.039 0.000 0.989 205 T CB 1.657 70.515 68.868 -0.017 0.000 1.005 205 T HN 0.933 nan 8.240 nan 0.000 0.442 206 A N 2.816 125.700 122.820 0.106 0.000 2.292 206 A HA 0.772 5.092 4.320 -0.000 0.000 0.319 206 A C -0.326 177.392 177.584 0.223 0.000 1.206 206 A CA -0.608 51.566 52.037 0.228 0.000 0.835 206 A CB 0.726 19.968 19.000 0.404 0.000 1.164 206 A HN 0.682 nan 8.150 nan 0.000 0.505 207 V N 2.624 122.648 119.914 0.185 0.000 2.347 207 V HA 0.448 4.568 4.120 -0.000 0.000 0.280 207 V C -0.240 175.961 176.094 0.178 0.000 1.021 207 V CA -0.308 62.091 62.300 0.164 0.000 0.847 207 V CB 1.096 32.999 31.823 0.133 0.000 0.990 207 V HN 0.974 nan 8.190 nan 0.000 0.444 208 E N 3.056 123.350 120.200 0.157 0.000 2.210 208 E HA 0.366 4.716 4.350 -0.000 0.000 0.266 208 E C 0.040 176.719 176.600 0.131 0.000 0.883 208 E CA -0.654 55.825 56.400 0.131 0.000 0.761 208 E CB 1.431 31.160 29.700 0.049 0.000 1.156 208 E HN 0.406 nan 8.360 nan 0.000 0.412 209 F N 4.335 124.295 119.950 0.017 0.000 2.186 209 F HA 0.144 4.671 4.527 -0.000 0.000 0.299 209 F C 0.301 176.096 175.800 -0.009 0.000 1.090 209 F CA 0.947 58.954 58.000 0.012 0.000 1.307 209 F CB 0.213 39.219 39.000 0.011 0.000 1.019 209 F HN 0.434 nan 8.300 nan 0.000 0.489 210 L N -0.776 120.489 121.223 0.071 0.000 2.468 210 L HA 0.274 4.614 4.340 -0.000 0.000 0.254 210 L C 1.635 178.436 176.870 -0.114 0.000 1.171 210 L CA 0.050 54.869 54.840 -0.036 0.000 0.809 210 L CB 0.175 42.222 42.059 -0.021 0.000 1.155 210 L HN 0.038 nan 8.230 nan 0.000 0.473 211 G N -0.873 107.901 108.800 -0.043 0.000 3.314 211 G HA2 0.130 4.090 3.960 -0.000 0.000 0.238 211 G HA3 0.130 4.090 3.960 -0.000 0.000 0.238 211 G C 0.082 174.990 174.900 0.013 0.000 1.184 211 G CA 0.066 45.151 45.100 -0.025 0.000 0.806 211 G HN 0.740 nan 8.290 nan 0.000 0.536 212 H N -2.390 116.631 119.070 -0.081 0.000 3.014 212 H HA 0.524 5.080 4.556 -0.000 0.000 0.337 212 H C -1.121 174.131 175.328 -0.128 0.000 1.320 212 H CA -0.727 55.250 56.048 -0.117 0.000 1.128 212 H CB 1.127 30.831 29.762 -0.097 0.000 1.862 212 H HN 0.162 nan 8.280 nan 0.000 0.536 213 V N -1.997 117.773 119.914 -0.240 0.000 3.109 213 V HA 0.757 4.877 4.120 -0.000 0.000 0.317 213 V C 1.136 177.263 176.094 0.054 0.000 1.074 213 V CA 0.253 62.403 62.300 -0.251 0.000 1.033 213 V CB 0.746 32.248 31.823 -0.535 0.000 1.111 213 V HN 1.531 nan 8.190 nan 0.000 0.458 214 G N -0.287 108.586 108.800 0.123 0.000 2.176 214 G HA2 0.281 4.241 3.960 -0.000 0.000 0.232 214 G HA3 0.281 4.241 3.960 -0.000 0.000 0.232 214 G C 1.573 176.635 174.900 0.269 0.000 0.986 214 G CA 0.412 45.664 45.100 0.253 0.000 0.643 214 G HN 3.019 nan 8.290 nan 0.000 0.522 215 G N -1.866 107.057 108.800 0.204 0.000 2.632 215 G HA2 0.153 4.113 3.960 -0.000 0.000 0.224 215 G HA3 0.153 4.113 3.960 -0.000 0.000 0.224 215 G C 0.073 175.162 174.900 0.315 0.000 1.341 215 G CA 0.160 45.397 45.100 0.230 0.000 0.880 215 G HN 1.498 nan 8.290 nan 0.000 0.566 216 V N 1.295 121.358 119.914 0.248 0.000 2.732 216 V HA 0.541 4.661 4.120 -0.000 0.000 0.297 216 V C 1.909 178.128 176.094 0.208 0.000 1.060 216 V CA 1.771 64.191 62.300 0.200 0.000 1.038 216 V CB 0.505 32.419 31.823 0.150 0.000 1.003 216 V HN 2.855 nan 8.190 nan 0.000 0.481 217 G N 3.793 112.651 108.800 0.098 0.000 2.267 217 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 217 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 217 G C 0.320 175.112 174.900 -0.180 0.000 0.998 217 G CA 0.341 45.502 45.100 0.102 0.000 0.620 217 G HN 0.694 nan 8.290 nan 0.000 0.529 218 I N 1.684 122.015 120.570 -0.399 0.000 2.836 218 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 218 I C 0.506 176.205 176.117 -0.698 0.000 1.174 218 I CA -0.116 60.541 61.300 -1.072 0.000 1.405 218 I CB 0.589 38.121 38.000 -0.781 0.000 1.385 218 I HN 0.242 nan 8.210 nan 0.000 0.594 219 D N 5.871 125.824 120.400 -0.745 0.000 2.348 219 D HA 0.048 4.687 4.640 -0.000 0.000 0.253 219 D C 1.051 177.100 176.300 -0.419 0.000 1.161 219 D CA -0.325 53.325 54.000 -0.583 0.000 0.876 219 D CB 0.961 41.248 40.800 -0.854 0.000 1.160 219 D HN 0.384 nan 8.370 nan 0.000 0.459 220 M N 2.525 121.919 119.600 -0.343 0.000 2.082 220 M HA -0.162 4.318 4.480 -0.000 0.000 0.258 220 M C 1.844 178.042 176.300 -0.170 0.000 1.069 220 M CA 1.588 56.737 55.300 -0.252 0.000 1.102 220 M CB -1.119 31.352 32.600 -0.214 0.000 1.336 220 M HN 0.715 nan 8.290 nan 0.000 0.404 221 E N 0.343 120.444 120.200 -0.165 0.000 2.085 221 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 221 E C 1.968 178.513 176.600 -0.090 0.000 0.994 221 E CA 1.170 57.505 56.400 -0.108 0.000 0.801 221 E CB 0.098 29.738 29.700 -0.100 0.000 0.743 221 E HN 0.333 nan 8.360 nan 0.000 0.453 222 I N 0.920 121.407 120.570 -0.137 0.000 2.226 222 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 222 I C 2.633 178.731 176.117 -0.031 0.000 1.100 222 I CA 1.105 62.350 61.300 -0.092 0.000 1.374 222 I CB -1.279 36.625 38.000 -0.160 0.000 1.057 222 I HN 0.208 nan 8.210 nan 0.000 0.413 223 S N 0.683 116.340 115.700 -0.072 0.000 2.348 223 S HA -0.180 4.290 4.470 -0.000 0.000 0.221 223 S C 2.068 176.694 174.600 0.044 0.000 1.033 223 S CA 1.252 59.469 58.200 0.028 0.000 1.010 223 S CB 0.012 63.207 63.200 -0.008 0.000 0.891 223 S HN 0.258 nan 8.310 nan 0.000 0.442 224 K N 1.449 121.842 120.400 -0.012 0.000 2.009 224 K HA -0.043 4.277 4.320 -0.000 0.000 0.210 224 K C 1.888 178.490 176.600 0.003 0.000 1.049 224 K CA 1.469 57.742 56.287 -0.023 0.000 0.929 224 K CB -0.973 31.509 32.500 -0.029 0.000 0.714 224 K HN 0.397 nan 8.250 nan 0.000 0.440 225 N N 0.543 119.262 118.700 0.032 0.000 2.223 225 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 225 N C 1.584 177.168 175.510 0.123 0.000 1.016 225 N CA 0.649 53.735 53.050 0.061 0.000 0.863 225 N CB -0.372 38.149 38.487 0.057 0.000 0.983 225 N HN 0.118 nan 8.380 nan 0.000 0.429 226 F N 2.001 121.928 119.950 -0.038 0.000 2.128 226 F HA -0.066 4.461 4.527 -0.000 0.000 0.295 226 F C 2.480 178.250 175.800 -0.051 0.000 1.100 226 F CA 1.294 59.276 58.000 -0.030 0.000 1.260 226 F CB -0.645 38.331 39.000 -0.041 0.000 1.009 226 F HN 0.052 nan 8.300 nan 0.000 0.476 227 Q N -0.016 119.649 119.800 -0.225 0.000 2.084 227 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 227 Q C 2.315 178.233 176.000 -0.136 0.000 0.978 227 Q CA 1.642 57.211 55.803 -0.389 0.000 0.844 227 Q CB -0.157 28.343 28.738 -0.396 0.000 0.898 227 Q HN 0.226 nan 8.270 nan 0.000 0.426 228 R N 0.297 120.766 120.500 -0.052 0.000 2.091 228 R HA -0.062 4.278 4.340 -0.000 0.000 0.238 228 R C 2.129 178.449 176.300 0.033 0.000 1.136 228 R CA 1.626 57.731 56.100 0.009 0.000 0.959 228 R CB -0.329 29.985 30.300 0.022 0.000 0.856 228 R HN 0.395 nan 8.270 nan 0.000 0.437 229 I N -0.208 120.382 120.570 0.034 0.000 2.286 229 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 229 I C 1.898 178.052 176.117 0.062 0.000 1.104 229 I CA 1.023 62.365 61.300 0.070 0.000 1.397 229 I CB -0.222 37.849 38.000 0.118 0.000 1.072 229 I HN 0.122 nan 8.210 nan 0.000 0.417 230 L N 0.075 121.290 121.223 -0.014 0.000 2.056 230 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 230 L C 2.645 179.593 176.870 0.130 0.000 1.078 230 L CA 1.428 56.287 54.840 0.030 0.000 0.749 230 L CB -0.584 41.388 42.059 -0.145 0.000 0.901 230 L HN 0.306 nan 8.230 nan 0.000 0.433 231 Q N 0.186 120.063 119.800 0.129 0.000 2.096 231 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 231 Q C 1.941 178.000 176.000 0.099 0.000 0.982 231 Q CA 1.502 57.387 55.803 0.136 0.000 0.850 231 Q CB -0.009 28.810 28.738 0.136 0.000 0.901 231 Q HN 0.441 nan 8.270 nan 0.000 0.422 232 K N 0.157 120.609 120.400 0.087 0.000 2.555 232 K HA -0.085 4.234 4.320 -0.000 0.000 0.193 232 K C 1.573 178.224 176.600 0.085 0.000 1.032 232 K CA 0.469 56.804 56.287 0.079 0.000 1.004 232 K CB 0.176 32.722 32.500 0.077 0.000 0.804 232 K HN 0.234 nan 8.250 nan 0.000 0.496 233 Q N -0.890 118.968 119.800 0.096 0.000 2.402 233 Q HA 0.040 4.380 4.340 -0.000 0.000 0.206 233 Q C 0.905 176.932 176.000 0.045 0.000 0.919 233 Q CA 0.604 56.456 55.803 0.081 0.000 0.923 233 Q CB 0.885 29.686 28.738 0.106 0.000 1.048 233 Q HN 0.507 nan 8.270 nan 0.000 0.515 234 G N 0.167 109.007 108.800 0.066 0.000 2.260 234 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.179 234 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.179 234 G C -0.372 174.550 174.900 0.037 0.000 1.002 234 G CA -0.602 44.516 45.100 0.031 0.000 0.677 234 G HN 0.245 nan 8.290 nan 0.000 0.486 235 F N 3.692 123.567 119.950 -0.125 0.000 2.471 235 F HA 0.602 5.129 4.527 -0.000 0.000 0.365 235 F C 0.721 176.285 175.800 -0.393 0.000 1.095 235 F CA -0.740 57.094 58.000 -0.277 0.000 1.174 235 F CB 0.464 39.306 39.000 -0.263 0.000 1.105 235 F HN 0.012 nan 8.300 nan 0.000 0.535 236 K N 5.586 125.982 120.400 -0.008 0.000 2.118 236 K HA 0.587 4.907 4.320 -0.000 0.000 0.254 236 K C -1.400 174.993 176.600 -0.345 0.000 0.961 236 K CA -0.548 55.674 56.287 -0.107 0.000 0.876 236 K CB 1.593 34.078 32.500 -0.026 0.000 1.077 236 K HN 0.359 nan 8.250 nan 0.000 0.440 237 F N 0.704 120.691 119.950 0.063 0.000 2.588 237 F HA 0.387 4.914 4.527 -0.000 0.000 0.310 237 F C -0.215 175.594 175.800 0.015 0.000 1.082 237 F CA -0.874 57.137 58.000 0.019 0.000 0.929 237 F CB 2.048 40.999 39.000 -0.082 0.000 1.254 237 F HN 0.133 nan 8.300 nan 0.000 0.455 238 K N 3.986 124.525 120.400 0.231 0.000 2.579 238 K HA 0.476 4.796 4.320 -0.000 0.000 0.225 238 K C -1.189 175.473 176.600 0.103 0.000 0.992 238 K CA -0.309 56.056 56.287 0.129 0.000 1.018 238 K CB 1.185 33.742 32.500 0.095 0.000 1.249 238 K HN 0.487 nan 8.250 nan 0.000 0.489 239 L N 2.093 123.351 121.223 0.059 0.000 2.418 239 L HA 0.241 4.581 4.340 -0.000 0.000 0.265 239 L C 0.578 177.425 176.870 -0.038 0.000 1.143 239 L CA -0.576 54.262 54.840 -0.003 0.000 0.809 239 L CB 0.356 42.389 42.059 -0.044 0.000 1.124 239 L HN 0.699 nan 8.230 nan 0.000 0.456 240 N N 0.200 118.841 118.700 -0.098 0.000 2.754 240 N HA -0.141 4.599 4.740 -0.000 0.000 0.248 240 N C -0.584 174.840 175.510 -0.144 0.000 1.093 240 N CA 0.885 53.819 53.050 -0.194 0.000 0.699 240 N CB -1.267 37.130 38.487 -0.150 0.000 1.016 240 N HN 0.708 nan 8.380 nan 0.000 0.552 241 T N 0.559 115.084 114.554 -0.047 0.000 2.841 241 T HA 0.322 4.672 4.350 -0.000 0.000 0.285 241 T C 0.309 175.105 174.700 0.161 0.000 0.991 241 T CA -0.701 61.424 62.100 0.040 0.000 0.966 241 T CB 2.666 71.573 68.868 0.065 0.000 0.962 241 T HN 0.151 nan 8.240 nan 0.000 0.438 242 K N 2.850 123.377 120.400 0.211 0.000 2.201 242 K HA 0.513 4.833 4.320 -0.000 0.000 0.278 242 K C -0.758 175.981 176.600 0.231 0.000 1.027 242 K CA -0.593 55.897 56.287 0.338 0.000 0.909 242 K CB 0.787 33.508 32.500 0.368 0.000 1.062 242 K HN 0.329 nan 8.250 nan 0.000 0.465 243 V N 5.422 125.495 119.914 0.265 0.000 2.353 243 V HA 0.011 4.131 4.120 -0.000 0.000 0.264 243 V C 1.080 177.313 176.094 0.233 0.000 1.049 243 V CA -0.226 62.200 62.300 0.209 0.000 0.896 243 V CB 0.696 32.642 31.823 0.206 0.000 1.025 243 V HN 1.026 nan 8.190 nan 0.000 0.475 244 T N 3.755 118.391 114.554 0.136 0.000 2.595 244 T HA 0.046 4.396 4.350 -0.000 0.000 0.264 244 T C 0.905 175.648 174.700 0.072 0.000 1.058 244 T CA 1.670 63.841 62.100 0.119 0.000 1.166 244 T CB -0.057 68.852 68.868 0.068 0.000 0.863 244 T HN 0.886 nan 8.240 nan 0.000 0.415 245 G N -0.871 107.908 108.800 -0.036 0.000 2.619 245 G HA2 0.650 4.610 3.960 -0.000 0.000 0.305 245 G HA3 0.650 4.610 3.960 -0.000 0.000 0.305 245 G C -2.169 172.638 174.900 -0.155 0.000 1.330 245 G CA -0.137 44.881 45.100 -0.137 0.000 0.789 245 G HN 0.578 nan 8.290 nan 0.000 0.487 246 A N -0.701 122.024 122.820 -0.160 0.000 2.589 246 A HA 0.909 5.229 4.320 -0.000 0.000 0.296 246 A C -0.450 177.077 177.584 -0.095 0.000 1.062 246 A CA 0.230 52.192 52.037 -0.126 0.000 0.686 246 A CB 1.510 20.413 19.000 -0.161 0.000 1.282 246 A HN 2.040 nan 8.150 nan 0.000 0.404 247 T N -0.907 113.605 114.554 -0.069 0.000 2.893 247 T HA 0.664 5.014 4.350 -0.000 0.000 0.293 247 T C -0.619 174.051 174.700 -0.050 0.000 1.027 247 T CA -0.752 61.315 62.100 -0.054 0.000 0.988 247 T CB 1.670 70.514 68.868 -0.040 0.000 1.043 247 T HN 0.741 nan 8.240 nan 0.000 0.461 248 K N 2.300 122.672 120.400 -0.046 0.000 2.276 248 K HA 0.323 4.643 4.320 -0.000 0.000 0.285 248 K C -0.274 176.305 176.600 -0.035 0.000 1.062 248 K CA -0.611 55.650 56.287 -0.043 0.000 0.918 248 K CB 0.504 32.979 32.500 -0.042 0.000 1.055 248 K HN 0.559 nan 8.250 nan 0.000 0.477 249 K N 1.599 121.979 120.400 -0.034 0.000 2.098 249 K HA 0.062 4.382 4.320 -0.000 0.000 0.261 249 K C 1.254 177.838 176.600 -0.027 0.000 0.987 249 K CA -0.280 55.989 56.287 -0.028 0.000 0.916 249 K CB 1.382 33.866 32.500 -0.027 0.000 1.039 249 K HN 0.745 nan 8.250 nan 0.000 0.455 250 S N 0.558 116.244 115.700 -0.023 0.000 2.440 250 S HA -0.184 4.286 4.470 -0.000 0.000 0.240 250 S C 1.075 175.662 174.600 -0.022 0.000 1.014 250 S CA 1.737 59.924 58.200 -0.021 0.000 0.980 250 S CB -0.389 62.801 63.200 -0.018 0.000 0.775 250 S HN 0.776 nan 8.310 nan 0.000 0.499 251 D N 0.045 120.431 120.400 -0.023 0.000 2.319 251 D HA 0.267 4.907 4.640 -0.000 0.000 0.230 251 D C 1.459 177.742 176.300 -0.029 0.000 1.094 251 D CA 0.569 54.555 54.000 -0.024 0.000 0.856 251 D CB -0.487 40.299 40.800 -0.023 0.000 0.915 251 D HN 0.564 nan 8.370 nan 0.000 0.517 252 G N 0.352 109.133 108.800 -0.032 0.000 2.363 252 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.238 252 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.238 252 G C 0.502 175.376 174.900 -0.043 0.000 1.062 252 G CA 0.180 45.258 45.100 -0.038 0.000 0.629 252 G HN 0.370 nan 8.290 nan 0.000 0.514 253 K N 0.572 120.948 120.400 -0.040 0.000 2.344 253 K HA 0.472 4.792 4.320 -0.000 0.000 0.260 253 K C 0.453 177.026 176.600 -0.045 0.000 0.988 253 K CA 0.273 56.534 56.287 -0.043 0.000 0.909 253 K CB 0.555 33.033 32.500 -0.037 0.000 0.968 253 K HN 0.467 nan 8.250 nan 0.000 0.505 254 I N 1.441 121.982 120.570 -0.049 0.000 2.466 254 I HA 0.107 4.277 4.170 -0.000 0.000 0.289 254 I C -0.696 175.392 176.117 -0.048 0.000 1.026 254 I CA -0.800 60.468 61.300 -0.052 0.000 1.078 254 I CB 2.045 40.008 38.000 -0.062 0.000 1.249 254 I HN 0.308 nan 8.210 nan 0.000 0.429 255 D N 5.500 125.873 120.400 -0.045 0.000 2.280 255 D HA 0.410 5.050 4.640 -0.000 0.000 0.236 255 D C -0.705 175.567 176.300 -0.047 0.000 1.082 255 D CA 0.002 53.978 54.000 -0.039 0.000 0.834 255 D CB 2.089 42.870 40.800 -0.032 0.000 1.100 255 D HN 0.030 nan 8.370 nan 0.000 0.486 256 V N 2.350 122.240 119.914 -0.041 0.000 2.384 256 V HA 0.361 4.480 4.120 -0.000 0.000 0.287 256 V C 0.288 176.367 176.094 -0.025 0.000 1.020 256 V CA -0.760 61.512 62.300 -0.046 0.000 0.850 256 V CB 1.562 33.361 31.823 -0.041 0.000 0.987 256 V HN 0.431 nan 8.190 nan 0.000 0.436 257 S N 6.182 121.866 115.700 -0.026 0.000 2.537 257 S HA 0.770 5.240 4.470 -0.000 0.000 0.275 257 S C -0.170 174.443 174.600 0.023 0.000 1.272 257 S CA -0.368 57.831 58.200 -0.001 0.000 1.050 257 S CB 0.716 63.915 63.200 -0.001 0.000 0.961 257 S HN 0.736 nan 8.310 nan 0.000 0.496 258 I N -0.253 120.338 120.570 0.035 0.000 2.894 258 I HA 0.752 4.922 4.170 -0.000 0.000 0.302 258 I C -0.973 175.176 176.117 0.054 0.000 1.188 258 I CA -0.916 60.419 61.300 0.058 0.000 1.014 258 I CB 2.291 40.326 38.000 0.059 0.000 1.242 258 I HN 0.478 nan 8.210 nan 0.000 0.430 259 E N 2.489 122.731 120.200 0.069 0.000 2.456 259 E HA 0.700 5.050 4.350 -0.000 0.000 0.276 259 E C -1.061 175.570 176.600 0.052 0.000 0.981 259 E CA -1.336 55.097 56.400 0.056 0.000 0.814 259 E CB 2.078 31.815 29.700 0.062 0.000 1.382 259 E HN 0.844 nan 8.360 nan 0.000 0.459 260 A N 0.498 123.335 122.820 0.029 0.000 2.386 260 A HA 0.465 4.785 4.320 -0.000 0.000 0.248 260 A C 1.068 178.648 177.584 -0.007 0.000 1.082 260 A CA 0.536 52.573 52.037 -0.002 0.000 0.789 260 A CB 0.425 19.418 19.000 -0.012 0.000 1.025 260 A HN 0.742 nan 8.150 nan 0.000 0.490 261 A N 1.380 124.141 122.820 -0.098 0.000 1.908 261 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 261 A C 2.047 179.599 177.584 -0.054 0.000 1.181 261 A CA 2.214 54.145 52.037 -0.178 0.000 0.627 261 A CB -0.972 17.598 19.000 -0.717 0.000 0.818 261 A HN 1.716 nan 8.150 nan 0.000 0.445 262 S N -0.739 114.921 115.700 -0.066 0.000 2.851 262 S HA 0.429 4.899 4.470 -0.000 0.000 0.227 262 S C 0.922 175.528 174.600 0.010 0.000 0.958 262 S CA 0.463 58.651 58.200 -0.020 0.000 0.990 262 S CB -1.391 61.790 63.200 -0.032 0.000 0.790 262 S HN 2.030 nan 8.310 nan 0.000 0.509 263 G N -0.394 108.422 108.800 0.028 0.000 2.731 263 G HA2 0.408 4.368 3.960 -0.000 0.000 0.686 263 G HA3 0.408 4.368 3.960 -0.000 0.000 0.686 263 G C 0.299 175.213 174.900 0.024 0.000 1.395 263 G CA -0.576 44.546 45.100 0.036 0.000 0.870 263 G HN 2.008 nan 8.290 nan 0.000 0.591 264 G N 0.619 109.436 108.800 0.028 0.000 2.660 264 G HA2 0.317 4.277 3.960 -0.000 0.000 0.215 264 G HA3 0.317 4.277 3.960 -0.000 0.000 0.215 264 G C 0.476 175.388 174.900 0.020 0.000 1.345 264 G CA 1.013 46.125 45.100 0.021 0.000 0.877 264 G HN 2.463 nan 8.290 nan 0.000 0.549 265 K N -1.712 118.697 120.400 0.016 0.000 3.148 265 K HA 0.014 4.333 4.320 -0.000 0.000 0.267 265 K C 0.706 177.318 176.600 0.020 0.000 0.996 265 K CA 1.324 57.620 56.287 0.015 0.000 0.737 265 K CB -1.568 30.939 32.500 0.012 0.000 1.308 265 K HN 2.357 nan 8.250 nan 0.000 0.470 266 A N 1.860 124.692 122.820 0.020 0.000 2.520 266 A HA 0.202 4.522 4.320 -0.000 0.000 0.245 266 A C 0.052 177.647 177.584 0.018 0.000 1.072 266 A CA 0.554 52.605 52.037 0.022 0.000 0.761 266 A CB 0.210 19.222 19.000 0.020 0.000 1.004 266 A HN 0.546 nan 8.150 nan 0.000 0.499 267 E N 0.581 120.793 120.200 0.020 0.000 2.456 267 E HA 0.650 5.000 4.350 -0.000 0.000 0.276 267 E C -1.634 174.973 176.600 0.013 0.000 0.981 267 E CA -0.910 55.499 56.400 0.016 0.000 0.814 267 E CB 2.339 32.049 29.700 0.017 0.000 1.382 267 E HN 0.372 nan 8.360 nan 0.000 0.459 268 V N 1.961 121.879 119.914 0.007 0.000 2.686 268 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 268 V C -1.077 175.016 176.094 -0.002 0.000 1.065 268 V CA -0.790 61.511 62.300 0.001 0.000 0.894 268 V CB 1.811 33.632 31.823 -0.004 0.000 1.004 268 V HN 0.481 nan 8.190 nan 0.000 0.424 269 I N 3.074 123.640 120.570 -0.006 0.000 2.433 269 I HA 0.514 4.684 4.170 -0.000 0.000 0.292 269 I C 0.195 176.300 176.117 -0.020 0.000 1.001 269 I CA -0.212 61.082 61.300 -0.010 0.000 1.119 269 I CB 2.085 40.082 38.000 -0.005 0.000 1.289 269 I HN 0.554 nan 8.210 nan 0.000 0.438 270 T N 5.551 120.091 114.554 -0.023 0.000 2.794 270 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 270 T C -0.087 174.590 174.700 -0.038 0.000 0.987 270 T CA -0.434 61.648 62.100 -0.031 0.000 0.993 270 T CB 1.325 70.176 68.868 -0.028 0.000 0.939 270 T HN 0.835 nan 8.240 nan 0.000 0.449 271 C N 1.016 120.287 119.300 -0.048 0.000 3.285 271 C HA 0.632 5.092 4.460 -0.000 0.000 0.320 271 C C 0.611 175.560 174.990 -0.069 0.000 1.411 271 C CA -0.797 58.186 59.018 -0.060 0.000 1.429 271 C CB 1.167 28.869 27.740 -0.065 0.000 1.812 271 C HN 0.803 nan 8.230 nan 0.000 0.454 272 D N -0.111 120.238 120.400 -0.084 0.000 2.355 272 D HA 0.181 4.821 4.640 -0.000 0.000 0.206 272 D C 0.031 176.263 176.300 -0.113 0.000 1.010 272 D CA 1.143 55.087 54.000 -0.093 0.000 0.875 272 D CB 1.006 41.746 40.800 -0.100 0.000 0.966 272 D HN 0.401 nan 8.370 nan 0.000 0.512 273 V N 1.588 121.424 119.914 -0.129 0.000 2.760 273 V HA 0.293 4.413 4.120 -0.000 0.000 0.309 273 V C -1.170 174.853 176.094 -0.118 0.000 1.077 273 V CA -0.892 61.321 62.300 -0.145 0.000 0.910 273 V CB 3.017 34.706 31.823 -0.224 0.000 1.008 273 V HN -0.074 nan 8.190 nan 0.000 0.424 274 L N 5.626 126.791 121.223 -0.097 0.000 2.325 274 L HA 0.725 5.065 4.340 -0.000 0.000 0.281 274 L C -1.041 175.798 176.870 -0.052 0.000 1.004 274 L CA -0.410 54.389 54.840 -0.070 0.000 0.823 274 L CB 1.509 43.526 42.059 -0.070 0.000 1.236 274 L HN 0.642 nan 8.230 nan 0.000 0.415 275 L N 6.892 128.101 121.223 -0.023 0.000 2.276 275 L HA 0.557 4.897 4.340 -0.000 0.000 0.286 275 L C -1.085 175.816 176.870 0.051 0.000 1.024 275 L CA -0.238 54.610 54.840 0.013 0.000 0.826 275 L CB 1.442 43.522 42.059 0.034 0.000 1.211 275 L HN 0.373 nan 8.230 nan 0.000 0.422 276 V N 5.445 125.394 119.914 0.059 0.000 2.353 276 V HA 0.210 4.330 4.120 -0.000 0.000 0.264 276 V C 0.303 176.468 176.094 0.120 0.000 1.049 276 V CA -0.243 62.120 62.300 0.105 0.000 0.896 276 V CB 0.741 32.629 31.823 0.108 0.000 1.025 276 V HN 0.939 nan 8.190 nan 0.000 0.475 277 C N 6.864 126.246 119.300 0.137 0.000 3.163 277 C HA 0.414 4.874 4.460 -0.000 0.000 0.228 277 C C 1.194 176.258 174.990 0.123 0.000 1.593 277 C CA -0.532 58.562 59.018 0.127 0.000 1.489 277 C CB -1.062 26.762 27.740 0.139 0.000 2.294 277 C HN 0.883 nan 8.230 nan 0.000 0.508 278 I N 0.276 120.915 120.570 0.114 0.000 3.862 278 I HA 0.573 4.743 4.170 -0.000 0.000 0.328 278 I C 0.776 176.919 176.117 0.043 0.000 1.474 278 I CA 0.475 61.819 61.300 0.073 0.000 1.215 278 I CB -0.647 37.374 38.000 0.036 0.000 1.183 278 I HN 0.453 nan 8.210 nan 0.000 0.413 279 G N 1.411 110.248 108.800 0.062 0.000 2.525 279 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.685 279 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.685 279 G C -0.907 174.023 174.900 0.051 0.000 1.290 279 G CA -1.034 44.097 45.100 0.051 0.000 0.915 279 G HN 0.490 nan 8.290 nan 0.000 0.548 280 R N -0.516 120.011 120.500 0.045 0.000 2.867 280 R HA 0.811 5.151 4.340 -0.000 0.000 0.268 280 R C 0.243 176.567 176.300 0.040 0.000 1.014 280 R CA -0.948 55.182 56.100 0.050 0.000 0.946 280 R CB 2.177 32.509 30.300 0.053 0.000 1.208 280 R HN 0.932 nan 8.270 nan 0.000 0.477 281 R N 0.234 120.765 120.500 0.052 0.000 2.771 281 R HA 0.537 4.877 4.340 -0.000 0.000 0.274 281 R C -2.903 173.438 176.300 0.068 0.000 0.987 281 R CA -2.217 53.908 56.100 0.042 0.000 0.908 281 R CB 1.765 32.080 30.300 0.024 0.000 1.213 281 R HN 0.292 nan 8.270 nan 0.000 0.468 282 P HA -0.029 nan 4.420 nan 0.000 0.268 282 P C -1.176 176.192 177.300 0.112 0.000 1.204 282 P CA 0.078 63.225 63.100 0.079 0.000 0.768 282 P CB 0.353 32.080 31.700 0.045 0.000 0.842 283 F N 3.705 123.662 119.950 0.012 0.000 2.404 283 F HA 0.351 4.878 4.527 -0.000 0.000 0.354 283 F C 0.760 176.571 175.800 0.018 0.000 1.122 283 F CA 0.202 58.214 58.000 0.020 0.000 1.080 283 F CB 1.077 40.090 39.000 0.021 0.000 1.131 283 F HN 0.323 nan 8.300 nan 0.000 0.471 284 T N 1.099 115.577 114.554 -0.126 0.000 3.186 284 T HA 0.140 4.490 4.350 -0.000 0.000 0.292 284 T C 0.337 174.994 174.700 -0.072 0.000 0.915 284 T CA -0.581 61.517 62.100 -0.002 0.000 0.902 284 T CB -0.343 68.523 68.868 -0.004 0.000 1.192 284 T HN 0.489 nan 8.240 nan 0.000 0.563 285 K N 2.648 122.846 120.400 -0.337 0.000 2.543 285 K HA -0.065 4.255 4.320 -0.000 0.000 0.279 285 K C -0.105 176.568 176.600 0.120 0.000 1.001 285 K CA 0.405 56.587 56.287 -0.173 0.000 1.088 285 K CB -0.014 32.283 32.500 -0.338 0.000 0.863 285 K HN 0.183 nan 8.250 nan 0.000 0.488 286 N N 2.436 121.186 118.700 0.084 0.000 2.702 286 N HA -0.241 4.499 4.740 -0.000 0.000 0.255 286 N C 0.045 175.693 175.510 0.230 0.000 0.983 286 N CA 0.689 53.822 53.050 0.137 0.000 0.768 286 N CB -0.639 37.912 38.487 0.107 0.000 0.918 286 N HN 0.489 nan 8.380 nan 0.000 0.540 287 L N -0.982 120.331 121.223 0.150 0.000 2.513 287 L HA 0.289 4.629 4.340 -0.000 0.000 0.222 287 L C 1.677 178.598 176.870 0.086 0.000 1.096 287 L CA 1.680 56.597 54.840 0.128 0.000 0.857 287 L CB -0.006 42.106 42.059 0.088 0.000 1.026 287 L HN 0.535 nan 8.230 nan 0.000 0.469 288 G N -1.373 107.467 108.800 0.068 0.000 2.179 288 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 288 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 288 G C 0.979 175.897 174.900 0.029 0.000 0.990 288 G CA 0.424 45.551 45.100 0.046 0.000 0.646 288 G HN 0.310 nan 8.290 nan 0.000 0.517 289 L N 0.115 121.354 121.223 0.027 0.000 2.072 289 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 289 L C 2.663 179.537 176.870 0.008 0.000 1.079 289 L CA 1.880 56.729 54.840 0.015 0.000 0.752 289 L CB -0.546 41.522 42.059 0.014 0.000 0.906 289 L HN 0.275 nan 8.230 nan 0.000 0.436 290 E N -0.034 120.170 120.200 0.007 0.000 2.219 290 E HA -0.244 4.106 4.350 -0.000 0.000 0.198 290 E C 2.073 178.674 176.600 0.002 0.000 0.998 290 E CA 1.101 57.502 56.400 0.000 0.000 0.818 290 E CB -0.051 29.648 29.700 -0.002 0.000 0.741 290 E HN 0.365 nan 8.360 nan 0.000 0.477 291 E N 0.181 120.385 120.200 0.007 0.000 2.206 291 E HA -0.010 4.340 4.350 -0.000 0.000 0.195 291 E C 1.750 178.353 176.600 0.005 0.000 0.935 291 E CA 0.107 56.511 56.400 0.006 0.000 0.875 291 E CB 0.041 29.747 29.700 0.011 0.000 0.841 291 E HN 0.265 nan 8.360 nan 0.000 0.477 292 L N 0.285 121.512 121.223 0.006 0.000 2.456 292 L HA 0.088 4.428 4.340 -0.000 0.000 0.224 292 L C 1.296 178.165 176.870 -0.002 0.000 1.148 292 L CA 1.964 56.806 54.840 0.003 0.000 0.825 292 L CB -0.030 42.033 42.059 0.006 0.000 0.937 292 L HN 0.352 nan 8.230 nan 0.000 0.450 293 G N -1.216 107.582 108.800 -0.004 0.000 2.179 293 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 293 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 293 G C 0.219 175.113 174.900 -0.010 0.000 0.990 293 G CA 0.028 45.124 45.100 -0.007 0.000 0.646 293 G HN 0.162 nan 8.290 nan 0.000 0.517 294 I N 2.417 122.982 120.570 -0.008 0.000 2.294 294 I HA 0.243 4.413 4.170 -0.000 0.000 0.295 294 I C 0.543 176.655 176.117 -0.008 0.000 1.098 294 I CA -0.256 61.039 61.300 -0.009 0.000 1.277 294 I CB 0.089 38.087 38.000 -0.004 0.000 1.434 294 I HN 0.217 nan 8.210 nan 0.000 0.498 295 E N 6.289 126.482 120.200 -0.011 0.000 2.259 295 E HA 0.366 4.716 4.350 -0.000 0.000 0.281 295 E C -0.335 176.259 176.600 -0.011 0.000 1.037 295 E CA -0.531 55.862 56.400 -0.011 0.000 0.854 295 E CB 1.577 31.269 29.700 -0.013 0.000 1.051 295 E HN 0.435 nan 8.360 nan 0.000 0.409 296 L N 2.625 123.841 121.223 -0.011 0.000 2.456 296 L HA 0.136 4.476 4.340 -0.000 0.000 0.257 296 L C 0.768 177.631 176.870 -0.013 0.000 1.162 296 L CA -0.674 54.160 54.840 -0.011 0.000 0.808 296 L CB 0.285 42.336 42.059 -0.014 0.000 1.136 296 L HN 0.620 nan 8.230 nan 0.000 0.466 297 D N 0.701 121.094 120.400 -0.012 0.000 2.451 297 D HA 0.132 4.772 4.640 -0.000 0.000 0.259 297 D C -1.858 174.433 176.300 -0.015 0.000 1.201 297 D CA -1.762 52.230 54.000 -0.013 0.000 1.028 297 D CB -0.114 40.679 40.800 -0.012 0.000 1.095 297 D HN 0.242 nan 8.370 nan 0.000 0.539 298 P HA -0.120 nan 4.420 nan 0.000 0.219 298 P C 0.842 178.130 177.300 -0.020 0.000 1.146 298 P CA 1.019 64.109 63.100 -0.018 0.000 0.808 298 P CB 0.209 31.899 31.700 -0.017 0.000 0.779 299 R N -1.102 119.387 120.500 -0.018 0.000 2.310 299 R HA 0.246 4.586 4.340 -0.000 0.000 0.202 299 R C 1.287 177.577 176.300 -0.017 0.000 0.933 299 R CA 0.589 56.678 56.100 -0.018 0.000 1.054 299 R CB -0.295 29.996 30.300 -0.015 0.000 0.985 299 R HN 0.217 nan 8.270 nan 0.000 0.489 300 G N 1.490 110.279 108.800 -0.017 0.000 2.132 300 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.234 300 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.234 300 G C -0.136 174.759 174.900 -0.007 0.000 0.989 300 G CA -0.176 44.913 45.100 -0.018 0.000 0.676 300 G HN 0.208 nan 8.290 nan 0.000 0.522 301 R N -0.450 120.047 120.500 -0.004 0.000 2.500 301 R HA 0.704 5.044 4.340 -0.000 0.000 0.277 301 R C 0.869 177.173 176.300 0.007 0.000 1.026 301 R CA -0.639 55.465 56.100 0.006 0.000 1.058 301 R CB 0.802 31.103 30.300 0.002 0.000 1.078 301 R HN 0.276 nan 8.270 nan 0.000 0.509 302 I N 3.860 124.442 120.570 0.020 0.000 2.337 302 I HA 0.214 4.384 4.170 -0.000 0.000 0.291 302 I C -1.940 174.187 176.117 0.017 0.000 1.046 302 I CA -2.005 59.307 61.300 0.020 0.000 1.324 302 I CB 1.102 39.124 38.000 0.036 0.000 1.409 302 I HN 0.238 nan 8.210 nan 0.000 0.494 303 P HA 0.114 nan 4.420 nan 0.000 0.271 303 P C -0.738 176.551 177.300 -0.018 0.000 1.220 303 P CA -0.053 63.039 63.100 -0.012 0.000 0.768 303 P CB 0.840 32.528 31.700 -0.020 0.000 0.848 304 V N 0.236 120.129 119.914 -0.035 0.000 3.130 304 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 304 V C -0.402 175.619 176.094 -0.122 0.000 1.158 304 V CA -1.093 61.171 62.300 -0.060 0.000 1.029 304 V CB 2.149 33.962 31.823 -0.017 0.000 1.057 304 V HN 0.518 nan 8.190 nan 0.000 0.436 305 N N 0.144 118.760 118.700 -0.140 0.000 2.514 305 N HA 0.318 5.058 4.740 -0.000 0.000 0.299 305 N C 1.048 176.397 175.510 -0.268 0.000 1.292 305 N CA 0.229 53.186 53.050 -0.155 0.000 0.963 305 N CB -0.316 38.109 38.487 -0.103 0.000 1.124 305 N HN 0.951 nan 8.380 nan 0.000 0.580 306 T N -3.772 110.654 114.554 -0.213 0.000 3.163 306 T HA 0.079 4.429 4.350 -0.000 0.000 0.260 306 T C 0.910 175.489 174.700 -0.201 0.000 1.156 306 T CA 0.601 62.542 62.100 -0.265 0.000 1.072 306 T CB -0.340 68.434 68.868 -0.157 0.000 0.937 306 T HN 0.473 nan 8.240 nan 0.000 0.528 307 R N -0.530 119.922 120.500 -0.080 0.000 2.472 307 R HA 0.392 4.732 4.340 -0.000 0.000 0.279 307 R C -0.373 176.162 176.300 0.391 0.000 0.953 307 R CA -0.348 55.853 56.100 0.168 0.000 1.088 307 R CB -0.026 30.385 30.300 0.185 0.000 1.197 307 R HN 0.349 nan 8.270 nan 0.000 0.536 308 F N 1.414 121.451 119.950 0.146 0.000 3.018 308 F HA -0.292 4.235 4.527 -0.000 0.000 0.287 308 F C 0.181 176.094 175.800 0.188 0.000 0.813 308 F CA 0.800 58.904 58.000 0.174 0.000 1.209 308 F CB -1.695 37.417 39.000 0.186 0.000 1.321 308 F HN 0.225 nan 8.300 nan 0.000 0.477 309 Q N -0.095 119.739 119.800 0.057 0.000 2.274 309 Q HA 0.649 4.989 4.340 -0.000 0.000 0.260 309 Q C 0.562 176.459 176.000 -0.171 0.000 0.974 309 Q CA -0.249 55.381 55.803 -0.289 0.000 0.876 309 Q CB 2.470 30.786 28.738 -0.703 0.000 1.297 309 Q HN 0.262 nan 8.270 nan 0.000 0.446 310 T N -0.474 113.982 114.554 -0.162 0.000 3.092 310 T HA 0.110 4.459 4.350 -0.000 0.000 0.374 310 T C 1.049 175.688 174.700 -0.103 0.000 1.190 310 T CA 0.073 62.117 62.100 -0.094 0.000 1.021 310 T CB 0.345 69.176 68.868 -0.062 0.000 1.556 310 T HN 0.725 nan 8.240 nan 0.000 0.540 311 K N -0.700 119.658 120.400 -0.070 0.000 2.026 311 K HA 0.033 4.353 4.320 -0.000 0.000 0.208 311 K C 0.453 177.009 176.600 -0.074 0.000 1.048 311 K CA 0.814 57.064 56.287 -0.061 0.000 0.929 311 K CB -0.432 32.043 32.500 -0.041 0.000 0.713 311 K HN 0.435 nan 8.250 nan 0.000 0.439 312 I N 2.804 123.328 120.570 -0.077 0.000 2.406 312 I HA -0.013 4.157 4.170 -0.000 0.000 0.293 312 I C -1.543 174.491 176.117 -0.139 0.000 1.101 312 I CA -1.774 59.477 61.300 -0.080 0.000 1.334 312 I CB 1.081 39.047 38.000 -0.058 0.000 1.421 312 I HN 0.106 nan 8.210 nan 0.000 0.513 313 P HA -0.221 nan 4.420 nan 0.000 0.219 313 P C 0.468 177.615 177.300 -0.255 0.000 1.144 313 P CA 1.491 64.480 63.100 -0.185 0.000 0.806 313 P CB 0.058 31.701 31.700 -0.096 0.000 0.771 314 N N -0.793 117.811 118.700 -0.160 0.000 2.205 314 N HA 0.074 4.814 4.740 -0.000 0.000 0.201 314 N C 0.235 175.730 175.510 -0.026 0.000 1.128 314 N CA -0.203 52.813 53.050 -0.056 0.000 0.867 314 N CB 0.141 38.641 38.487 0.021 0.000 0.996 314 N HN 0.203 nan 8.380 nan 0.000 0.503 315 I N 1.702 122.169 120.570 -0.172 0.000 2.362 315 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 315 I C -0.938 175.091 176.117 -0.146 0.000 0.994 315 I CA -0.847 60.425 61.300 -0.046 0.000 1.158 315 I CB 0.748 38.730 38.000 -0.030 0.000 1.315 315 I HN -0.146 nan 8.210 nan 0.000 0.451 316 Y N 4.422 124.731 120.300 0.015 0.000 2.587 316 Y HA 0.823 5.373 4.550 -0.000 0.000 0.337 316 Y C 0.201 176.132 175.900 0.052 0.000 1.065 316 Y CA -1.229 56.901 58.100 0.051 0.000 1.126 316 Y CB 1.794 40.289 38.460 0.059 0.000 1.279 316 Y HN 0.524 nan 8.280 nan 0.000 0.489 317 A N 1.782 124.763 122.820 0.269 0.000 2.455 317 A HA 0.858 5.178 4.320 -0.000 0.000 0.300 317 A C -1.354 176.364 177.584 0.224 0.000 1.040 317 A CA -0.545 51.600 52.037 0.181 0.000 0.697 317 A CB 0.849 19.928 19.000 0.131 0.000 1.265 317 A HN 0.749 nan 8.150 nan 0.000 0.407 318 I N -1.104 119.527 120.570 0.103 0.000 3.279 318 I HA 0.989 5.159 4.170 -0.000 0.000 0.315 318 I C 0.588 176.705 176.117 -0.000 0.000 1.187 318 I CA 0.056 61.367 61.300 0.018 0.000 0.953 318 I CB 1.596 39.470 38.000 -0.210 0.000 1.279 318 I HN 2.129 nan 8.210 nan 0.000 0.465 319 G N 1.776 110.557 108.800 -0.031 0.000 2.525 319 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 319 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 319 G C 0.143 175.035 174.900 -0.014 0.000 1.238 319 G CA 0.572 45.652 45.100 -0.034 0.000 0.926 319 G HN 0.844 nan 8.290 nan 0.000 0.574 320 D N -0.414 119.978 120.400 -0.014 0.000 2.309 320 D HA 0.022 4.662 4.640 -0.000 0.000 0.212 320 D C 2.275 178.587 176.300 0.020 0.000 0.968 320 D CA 1.179 55.176 54.000 -0.004 0.000 0.882 320 D CB 0.033 40.837 40.800 0.006 0.000 0.918 320 D HN 0.441 nan 8.370 nan 0.000 0.503 321 V N -0.024 119.911 119.914 0.036 0.000 3.573 321 V HA 0.033 4.153 4.120 -0.000 0.000 0.270 321 V C 0.416 176.538 176.094 0.046 0.000 1.221 321 V CA 0.253 62.584 62.300 0.052 0.000 1.163 321 V CB 0.126 31.990 31.823 0.067 0.000 0.847 321 V HN -0.175 nan 8.190 nan 0.000 0.468 322 V N -0.382 119.558 119.914 0.043 0.000 3.126 322 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 322 V C 0.466 176.558 176.094 -0.003 0.000 1.138 322 V CA -0.597 61.733 62.300 0.050 0.000 1.034 322 V CB 1.763 33.667 31.823 0.134 0.000 1.075 322 V HN 0.280 nan 8.190 nan 0.000 0.442 323 A N 0.846 123.653 122.820 -0.022 0.000 2.429 323 A HA 0.687 5.007 4.320 -0.000 0.000 0.242 323 A C 0.667 178.118 177.584 -0.221 0.000 1.088 323 A CA 0.777 52.763 52.037 -0.084 0.000 0.784 323 A CB -0.351 18.613 19.000 -0.061 0.000 1.038 323 A HN 2.442 nan 8.150 nan 0.000 0.501 324 G N -0.176 108.444 108.800 -0.301 0.000 2.570 324 G HA2 0.150 4.110 3.960 -0.000 0.000 0.686 324 G HA3 0.150 4.110 3.960 -0.000 0.000 0.686 324 G C -2.833 171.879 174.900 -0.314 0.000 1.257 324 G CA -0.429 44.331 45.100 -0.568 0.000 0.846 324 G HN 0.985 nan 8.290 nan 0.000 0.627 325 P HA 0.196 nan 4.420 nan 0.000 0.264 325 P C 0.227 177.442 177.300 -0.142 0.000 1.183 325 P CA 0.193 63.212 63.100 -0.135 0.000 0.763 325 P CB 0.358 32.003 31.700 -0.092 0.000 0.807 326 M N 3.672 123.218 119.600 -0.090 0.000 3.422 326 M HA 0.223 4.703 4.480 -0.000 0.000 0.248 326 M C -0.176 176.071 176.300 -0.088 0.000 1.433 326 M CA 0.264 55.518 55.300 -0.076 0.000 1.592 326 M CB -0.571 32.010 32.600 -0.033 0.000 1.078 326 M HN 0.204 nan 8.290 nan 0.000 0.578 327 L N -0.525 120.599 121.223 -0.165 0.000 2.341 327 L HA 0.637 4.977 4.340 -0.000 0.000 0.267 327 L C 1.148 177.867 176.870 -0.252 0.000 1.009 327 L CA -0.622 54.075 54.840 -0.238 0.000 0.819 327 L CB 1.790 43.569 42.059 -0.467 0.000 1.323 327 L HN 0.487 nan 8.230 nan 0.000 0.425 328 A N 0.714 123.445 122.820 -0.148 0.000 1.883 328 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 328 A C 1.999 179.545 177.584 -0.064 0.000 1.186 328 A CA 1.876 53.879 52.037 -0.056 0.000 0.624 328 A CB -0.887 18.138 19.000 0.041 0.000 0.822 328 A HN 0.950 nan 8.150 nan 0.000 0.444 329 H N -1.131 117.929 119.070 -0.016 0.000 2.457 329 H HA -0.023 4.533 4.556 -0.000 0.000 0.294 329 H C 1.680 176.997 175.328 -0.018 0.000 1.064 329 H CA 1.388 57.422 56.048 -0.023 0.000 1.330 329 H CB -0.333 29.416 29.762 -0.021 0.000 1.395 329 H HN 0.433 nan 8.280 nan 0.000 0.541 330 K N 1.877 122.102 120.400 -0.291 0.000 2.155 330 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 330 K C 2.142 178.700 176.600 -0.069 0.000 1.052 330 K CA 1.053 57.270 56.287 -0.117 0.000 0.948 330 K CB -0.216 32.185 32.500 -0.165 0.000 0.728 330 K HN 0.327 nan 8.250 nan 0.000 0.448 331 A N 1.278 124.034 122.820 -0.106 0.000 1.930 331 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 331 A C 1.934 179.446 177.584 -0.119 0.000 1.176 331 A CA 1.028 53.004 52.037 -0.101 0.000 0.632 331 A CB -0.232 18.719 19.000 -0.082 0.000 0.819 331 A HN 0.439 nan 8.150 nan 0.000 0.445 332 E N 0.117 120.258 120.200 -0.097 0.000 2.028 332 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 332 E C 1.525 178.054 176.600 -0.118 0.000 0.988 332 E CA 1.360 57.687 56.400 -0.122 0.000 0.799 332 E CB -0.288 29.356 29.700 -0.094 0.000 0.755 332 E HN 0.558 nan 8.360 nan 0.000 0.447 333 D N 0.867 121.224 120.400 -0.071 0.000 2.123 333 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 333 D C 1.748 177.970 176.300 -0.129 0.000 0.992 333 D CA 1.140 55.103 54.000 -0.063 0.000 0.833 333 D CB -0.075 40.723 40.800 -0.003 0.000 0.954 333 D HN 0.207 nan 8.370 nan 0.000 0.455 334 E N -0.140 119.943 120.200 -0.195 0.000 2.110 334 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 334 E C 2.230 178.522 176.600 -0.512 0.000 0.988 334 E CA 0.963 57.070 56.400 -0.489 0.000 0.804 334 E CB -0.207 29.127 29.700 -0.610 0.000 0.745 334 E HN 0.336 nan 8.360 nan 0.000 0.458 335 G N 1.384 109.993 108.800 -0.318 0.000 2.421 335 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 335 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 335 G C 1.606 176.384 174.900 -0.203 0.000 1.171 335 G CA 0.415 45.363 45.100 -0.253 0.000 0.775 335 G HN 0.110 nan 8.290 nan 0.000 0.543 336 I N 1.546 122.019 120.570 -0.163 0.000 2.179 336 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 336 I C 2.757 178.823 176.117 -0.086 0.000 1.088 336 I CA 1.300 62.535 61.300 -0.109 0.000 1.357 336 I CB -0.186 37.762 38.000 -0.086 0.000 1.051 336 I HN 0.347 nan 8.210 nan 0.000 0.409 337 I N -1.898 118.616 120.570 -0.092 0.000 2.676 337 I HA -0.236 3.934 4.170 -0.000 0.000 0.259 337 I C 2.724 178.829 176.117 -0.019 0.000 1.194 337 I CA 1.018 62.300 61.300 -0.030 0.000 1.473 337 I CB -0.741 37.269 38.000 0.017 0.000 1.096 337 I HN 0.300 nan 8.210 nan 0.000 0.443 338 C N 1.694 120.924 119.300 -0.117 0.000 2.476 338 C HA -0.042 4.418 4.460 -0.000 0.000 0.278 338 C C 2.975 177.864 174.990 -0.168 0.000 1.274 338 C CA 1.074 60.031 59.018 -0.101 0.000 1.713 338 C CB -0.891 26.724 27.740 -0.208 0.000 2.039 338 C HN 0.585 nan 8.230 nan 0.000 0.484 339 V N -0.108 119.707 119.914 -0.166 0.000 2.427 339 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 339 V C 2.222 178.330 176.094 0.023 0.000 1.051 339 V CA 2.418 64.646 62.300 -0.120 0.000 1.048 339 V CB -1.221 30.566 31.823 -0.059 0.000 0.666 339 V HN 0.628 nan 8.190 nan 0.000 0.456 340 E N 1.299 121.507 120.200 0.013 0.000 2.110 340 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 340 E C 2.287 178.920 176.600 0.056 0.000 0.988 340 E CA 1.263 57.687 56.400 0.040 0.000 0.804 340 E CB -0.522 29.189 29.700 0.018 0.000 0.745 340 E HN 0.744 nan 8.360 nan 0.000 0.458 341 G N 0.659 109.487 108.800 0.047 0.000 2.422 341 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 341 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 341 G C 1.511 176.461 174.900 0.083 0.000 1.140 341 G CA 0.304 45.452 45.100 0.080 0.000 0.775 341 G HN 0.086 nan 8.290 nan 0.000 0.545 342 M N 0.852 120.467 119.600 0.026 0.000 2.086 342 M HA 0.011 4.491 4.480 -0.000 0.000 0.261 342 M C 2.774 179.201 176.300 0.212 0.000 1.067 342 M CA 1.394 56.719 55.300 0.040 0.000 1.116 342 M CB -0.126 32.375 32.600 -0.164 0.000 1.348 342 M HN 0.270 nan 8.290 nan 0.000 0.407 343 A N -0.367 122.614 122.820 0.268 0.000 2.255 343 A HA 0.285 4.605 4.320 -0.000 0.000 0.206 343 A C 1.605 179.240 177.584 0.086 0.000 1.193 343 A CA 1.043 53.191 52.037 0.185 0.000 0.794 343 A CB -1.044 17.979 19.000 0.038 0.000 0.794 343 A HN 0.745 nan 8.150 nan 0.000 0.481 344 G N -2.101 106.755 108.800 0.094 0.000 2.284 344 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.216 344 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.216 344 G C 0.963 175.896 174.900 0.055 0.000 1.009 344 G CA 0.122 45.262 45.100 0.067 0.000 0.625 344 G HN 1.436 nan 8.290 nan 0.000 0.501 345 G N 0.684 109.514 108.800 0.049 0.000 2.712 345 G HA2 0.594 4.554 3.960 -0.000 0.000 0.258 345 G HA3 0.594 4.554 3.960 -0.000 0.000 0.258 345 G C 0.729 175.663 174.900 0.056 0.000 1.241 345 G CA 0.779 45.905 45.100 0.042 0.000 0.923 345 G HN 1.602 nan 8.290 nan 0.000 0.548 346 A N -1.666 121.186 122.820 0.053 0.000 2.287 346 A HA 0.597 4.917 4.320 -0.000 0.000 0.273 346 A C -0.371 177.269 177.584 0.093 0.000 1.091 346 A CA -0.292 51.787 52.037 0.069 0.000 0.817 346 A CB 1.027 20.060 19.000 0.055 0.000 1.069 346 A HN 1.024 nan 8.150 nan 0.000 0.492 347 V N 2.917 122.904 119.914 0.122 0.000 2.482 347 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 347 V C -0.650 175.550 176.094 0.177 0.000 1.026 347 V CA -0.349 62.043 62.300 0.153 0.000 0.856 347 V CB 1.282 33.214 31.823 0.181 0.000 1.001 347 V HN 0.956 nan 8.190 nan 0.000 0.424 348 H N 5.169 124.270 119.070 0.052 0.000 3.083 348 H HA 0.595 5.151 4.556 -0.000 0.000 0.339 348 H C -1.933 173.382 175.328 -0.022 0.000 1.020 348 H CA -0.321 55.730 56.048 0.005 0.000 1.360 348 H CB 2.195 31.949 29.762 -0.013 0.000 1.811 348 H HN 0.719 nan 8.280 nan 0.000 0.493 349 I N 4.067 124.514 120.570 -0.206 0.000 2.619 349 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 349 I C -1.380 174.468 176.117 -0.449 0.000 1.100 349 I CA -0.572 60.599 61.300 -0.215 0.000 1.043 349 I CB 2.030 39.915 38.000 -0.191 0.000 1.239 349 I HN 0.445 nan 8.210 nan 0.000 0.420 350 D N 5.980 126.207 120.400 -0.289 0.000 2.461 350 D HA 0.216 4.856 4.640 -0.000 0.000 0.240 350 D C 0.066 176.245 176.300 -0.201 0.000 1.094 350 D CA -0.175 53.677 54.000 -0.246 0.000 0.868 350 D CB 0.703 41.475 40.800 -0.047 0.000 1.062 350 D HN 0.391 nan 8.370 nan 0.000 0.530 351 Y N 2.078 122.395 120.300 0.027 0.000 2.716 351 Y HA -0.075 4.475 4.550 -0.000 0.000 0.302 351 Y C 1.999 177.921 175.900 0.036 0.000 1.160 351 Y CA 0.430 58.549 58.100 0.032 0.000 1.362 351 Y CB -0.602 37.876 38.460 0.029 0.000 0.988 351 Y HN 0.393 nan 8.280 nan 0.000 0.546 352 N N -0.938 117.832 118.700 0.118 0.000 2.409 352 N HA -0.087 4.653 4.740 -0.000 0.000 0.179 352 N C 0.943 176.500 175.510 0.078 0.000 1.032 352 N CA 0.950 54.060 53.050 0.100 0.000 0.898 352 N CB -0.158 38.372 38.487 0.071 0.000 0.971 352 N HN 0.201 nan 8.380 nan 0.000 0.441 353 C N -0.159 119.175 119.300 0.058 0.000 2.791 353 C HA 0.382 4.842 4.460 -0.000 0.000 0.270 353 C C 0.375 175.391 174.990 0.044 0.000 1.257 353 C CA -0.731 58.308 59.018 0.036 0.000 1.699 353 C CB -0.902 26.844 27.740 0.010 0.000 1.904 353 C HN 0.053 nan 8.230 nan 0.000 0.603 354 V N 5.044 125.010 119.914 0.086 0.000 2.427 354 V HA 0.204 4.324 4.120 -0.000 0.000 0.268 354 V C -1.523 174.606 176.094 0.058 0.000 1.046 354 V CA -0.679 61.691 62.300 0.116 0.000 0.970 354 V CB 0.557 32.475 31.823 0.158 0.000 1.001 354 V HN 0.333 nan 8.190 nan 0.000 0.476 355 P HA 0.356 nan 4.420 nan 0.000 0.278 355 P C -0.696 176.501 177.300 -0.171 0.000 1.266 355 P CA -0.488 62.529 63.100 -0.138 0.000 0.807 355 P CB 1.276 32.859 31.700 -0.195 0.000 1.094 356 S N -0.284 115.068 115.700 -0.580 0.000 2.532 356 S HA 0.525 4.995 4.470 -0.000 0.000 0.299 356 S C -0.571 173.543 174.600 -0.811 0.000 1.105 356 S CA -0.532 57.197 58.200 -0.785 0.000 1.018 356 S CB 1.226 63.517 63.200 -1.514 0.000 1.021 356 S HN 0.234 nan 8.310 nan 0.000 0.483 357 V N 3.986 123.611 119.914 -0.481 0.000 2.789 357 V HA 0.572 4.692 4.120 -0.000 0.000 0.311 357 V C -0.819 175.076 176.094 -0.330 0.000 1.073 357 V CA -0.663 61.347 62.300 -0.483 0.000 0.921 357 V CB 1.907 33.350 31.823 -0.633 0.000 1.009 357 V HN 0.810 nan 8.190 nan 0.000 0.426 358 I N 3.821 124.196 120.570 -0.325 0.000 2.382 358 I HA 0.332 4.501 4.170 -0.000 0.000 0.286 358 I C -0.601 175.423 176.117 -0.154 0.000 1.002 358 I CA -0.416 60.836 61.300 -0.081 0.000 1.135 358 I CB 1.640 39.613 38.000 -0.044 0.000 1.288 358 I HN 0.656 nan 8.210 nan 0.000 0.448 359 Y N 3.717 124.030 120.300 0.022 0.000 2.496 359 Y HA 0.008 4.558 4.550 -0.000 0.000 0.313 359 Y C 1.868 177.794 175.900 0.043 0.000 1.184 359 Y CA -0.420 57.684 58.100 0.007 0.000 1.275 359 Y CB -0.560 37.896 38.460 -0.006 0.000 1.103 359 Y HN 0.557 nan 8.280 nan 0.000 0.513 360 T N -2.477 112.207 114.554 0.217 0.000 2.750 360 T HA 0.022 4.372 4.350 -0.000 0.000 0.351 360 T C -0.407 174.394 174.700 0.167 0.000 1.082 360 T CA -0.248 62.004 62.100 0.253 0.000 1.022 360 T CB 0.481 69.597 68.868 0.413 0.000 1.249 360 T HN 0.398 nan 8.240 nan 0.000 0.520 361 H N 1.112 120.252 119.070 0.118 0.000 3.172 361 H HA 0.406 4.962 4.556 -0.000 0.000 0.322 361 H C -2.699 172.712 175.328 0.139 0.000 1.003 361 H CA -1.633 54.425 56.048 0.016 0.000 1.466 361 H CB 1.243 30.907 29.762 -0.164 0.000 1.673 361 H HN 0.488 nan 8.280 nan 0.000 0.512 362 P HA 0.017 nan 4.420 nan 0.000 0.269 362 P C -0.415 176.835 177.300 -0.082 0.000 1.215 362 P CA -0.071 62.930 63.100 -0.164 0.000 0.780 362 P CB 1.567 33.257 31.700 -0.018 0.000 0.898 363 E N -0.044 120.015 120.200 -0.236 0.000 2.314 363 E HA 0.402 4.752 4.350 -0.000 0.000 0.262 363 E C -0.623 175.838 176.600 -0.232 0.000 1.093 363 E CA -0.914 55.356 56.400 -0.215 0.000 0.908 363 E CB 0.993 30.528 29.700 -0.275 0.000 1.091 363 E HN 0.193 nan 8.360 nan 0.000 0.425 364 V N 0.646 120.394 119.914 -0.277 0.000 2.638 364 V HA 0.727 4.847 4.120 -0.000 0.000 0.306 364 V C -0.746 175.294 176.094 -0.090 0.000 1.052 364 V CA -0.770 61.402 62.300 -0.214 0.000 0.885 364 V CB 1.505 33.068 31.823 -0.434 0.000 0.999 364 V HN 0.757 nan 8.190 nan 0.000 0.424 365 A N 4.211 127.062 122.820 0.050 0.000 2.520 365 A HA 1.001 5.321 4.320 -0.000 0.000 0.298 365 A C -1.607 176.096 177.584 0.199 0.000 1.051 365 A CA -0.616 51.406 52.037 -0.026 0.000 0.690 365 A CB 1.681 20.574 19.000 -0.178 0.000 1.281 365 A HN 1.616 nan 8.150 nan 0.000 0.402 366 W N 0.233 121.459 121.300 -0.124 0.000 3.137 366 W HA 0.741 5.401 4.660 -0.000 0.000 0.324 366 W C -2.084 174.345 176.519 -0.151 0.000 1.253 366 W CA -1.163 56.070 57.345 -0.186 0.000 1.183 366 W CB 1.201 30.568 29.460 -0.156 0.000 1.424 366 W HN 1.017 nan 8.180 nan 0.000 0.566 367 V N 3.209 123.127 119.914 0.006 0.000 2.891 367 V HA 0.819 4.939 4.120 -0.000 0.000 0.304 367 V C 0.190 176.305 176.094 0.034 0.000 1.171 367 V CA 0.575 62.871 62.300 -0.007 0.000 0.943 367 V CB 1.257 33.051 31.823 -0.048 0.000 1.037 367 V HN 2.198 nan 8.190 nan 0.000 0.427 368 G N 6.028 114.883 108.800 0.091 0.000 2.445 368 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 368 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 368 G C -0.662 174.321 174.900 0.138 0.000 1.217 368 G CA 0.028 45.182 45.100 0.089 0.000 1.002 368 G HN 0.907 nan 8.290 nan 0.000 0.574 369 K N 0.551 121.020 120.400 0.115 0.000 2.156 369 K HA 0.642 4.962 4.320 -0.000 0.000 0.254 369 K C 0.597 177.302 176.600 0.175 0.000 0.950 369 K CA 0.063 56.418 56.287 0.113 0.000 0.849 369 K CB 1.716 34.237 32.500 0.034 0.000 1.100 369 K HN 0.887 nan 8.250 nan 0.000 0.434 370 S N 0.173 115.910 115.700 0.061 0.000 2.652 370 S HA 0.112 4.582 4.470 -0.000 0.000 0.270 370 S C 0.973 175.445 174.600 -0.215 0.000 1.243 370 S CA -0.549 57.580 58.200 -0.119 0.000 0.999 370 S CB 1.451 64.534 63.200 -0.197 0.000 0.973 370 S HN 0.727 nan 8.310 nan 0.000 0.544 371 E N 0.386 120.402 120.200 -0.308 0.000 2.110 371 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 371 E C 1.544 178.019 176.600 -0.208 0.000 0.988 371 E CA 1.349 57.553 56.400 -0.326 0.000 0.804 371 E CB -0.094 29.479 29.700 -0.211 0.000 0.745 371 E HN 0.741 nan 8.360 nan 0.000 0.458 372 E N 0.548 120.649 120.200 -0.165 0.000 2.110 372 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 372 E C 1.965 178.514 176.600 -0.084 0.000 0.988 372 E CA 1.089 57.424 56.400 -0.109 0.000 0.804 372 E CB -0.116 29.508 29.700 -0.127 0.000 0.745 372 E HN 0.297 nan 8.360 nan 0.000 0.458 373 Q N -0.195 119.547 119.800 -0.098 0.000 2.079 373 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 373 Q C 2.288 178.249 176.000 -0.064 0.000 0.974 373 Q CA 0.936 56.702 55.803 -0.060 0.000 0.840 373 Q CB -0.118 28.597 28.738 -0.039 0.000 0.898 373 Q HN 0.293 nan 8.270 nan 0.000 0.430 374 L N 0.547 121.688 121.223 -0.137 0.000 2.046 374 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 374 L C 2.336 179.204 176.870 -0.004 0.000 1.077 374 L CA 1.297 56.056 54.840 -0.135 0.000 0.747 374 L CB -0.376 41.410 42.059 -0.454 0.000 0.896 374 L HN 0.146 nan 8.230 nan 0.000 0.432 375 K N -0.156 120.253 120.400 0.016 0.000 2.057 375 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 375 K C 2.084 178.711 176.600 0.045 0.000 1.049 375 K CA 1.452 57.793 56.287 0.089 0.000 0.931 375 K CB -0.085 32.462 32.500 0.079 0.000 0.714 375 K HN 0.058 nan 8.250 nan 0.000 0.440 376 E N 1.465 121.674 120.200 0.014 0.000 2.160 376 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 376 E C 0.940 177.552 176.600 0.019 0.000 0.991 376 E CA 1.536 57.943 56.400 0.011 0.000 0.810 376 E CB 0.083 29.783 29.700 -0.001 0.000 0.742 376 E HN 0.297 nan 8.360 nan 0.000 0.466 377 E N -1.374 118.839 120.200 0.022 0.000 2.479 377 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 377 E C 0.729 177.353 176.600 0.039 0.000 1.049 377 E CA 0.337 56.753 56.400 0.027 0.000 0.870 377 E CB 0.241 29.955 29.700 0.023 0.000 0.944 377 E HN 0.364 nan 8.360 nan 0.000 0.492 378 G N 1.825 110.656 108.800 0.052 0.000 2.198 378 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 378 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 378 G C 0.195 175.142 174.900 0.078 0.000 1.025 378 G CA -0.135 45.001 45.100 0.060 0.000 0.769 378 G HN 0.165 nan 8.290 nan 0.000 0.507 379 I N 0.319 120.956 120.570 0.111 0.000 2.529 379 I HA 0.293 4.463 4.170 -0.000 0.000 0.284 379 I C 0.722 176.968 176.117 0.216 0.000 1.082 379 I CA -0.742 60.643 61.300 0.142 0.000 1.406 379 I CB 1.272 39.352 38.000 0.133 0.000 1.405 379 I HN 0.303 nan 8.210 nan 0.000 0.548 380 E N 7.415 127.697 120.200 0.137 0.000 2.001 380 E HA 0.277 4.627 4.350 -0.000 0.000 0.279 380 E C -1.153 175.514 176.600 0.112 0.000 1.045 380 E CA -0.260 56.180 56.400 0.067 0.000 0.833 380 E CB 0.166 29.876 29.700 0.017 0.000 1.077 380 E HN 0.358 nan 8.360 nan 0.000 0.397 381 Y N 1.414 121.718 120.300 0.006 0.000 2.659 381 Y HA 0.705 5.255 4.550 -0.000 0.000 0.333 381 Y C -0.676 175.227 175.900 0.005 0.000 1.064 381 Y CA -1.447 56.658 58.100 0.010 0.000 1.141 381 Y CB 1.152 39.621 38.460 0.016 0.000 1.316 381 Y HN 0.138 nan 8.280 nan 0.000 0.509 382 K N 1.057 121.544 120.400 0.146 0.000 2.318 382 K HA 0.745 5.065 4.320 -0.000 0.000 0.249 382 K C -1.698 175.011 176.600 0.183 0.000 0.942 382 K CA -1.143 55.179 56.287 0.058 0.000 0.808 382 K CB 2.863 35.386 32.500 0.039 0.000 1.189 382 K HN 0.503 nan 8.250 nan 0.000 0.428 383 V N 0.830 120.816 119.914 0.120 0.000 2.555 383 V HA 0.625 4.745 4.120 -0.000 0.000 0.302 383 V C 0.030 176.176 176.094 0.086 0.000 1.038 383 V CA -0.855 61.528 62.300 0.138 0.000 0.887 383 V CB 1.781 33.689 31.823 0.141 0.000 0.991 383 V HN 0.949 nan 8.190 nan 0.000 0.434 384 G N 3.274 112.121 108.800 0.079 0.000 2.557 384 G HA2 0.692 4.652 3.960 -0.000 0.000 0.310 384 G HA3 0.692 4.652 3.960 -0.000 0.000 0.310 384 G C -0.978 173.963 174.900 0.069 0.000 1.328 384 G CA -0.637 44.504 45.100 0.068 0.000 0.945 384 G HN 0.610 nan 8.290 nan 0.000 0.494 385 K N 1.073 121.524 120.400 0.086 0.000 2.316 385 K HA 0.597 4.917 4.320 -0.000 0.000 0.251 385 K C -1.935 174.713 176.600 0.080 0.000 0.934 385 K CA -0.788 55.533 56.287 0.056 0.000 0.802 385 K CB 2.846 35.359 32.500 0.021 0.000 1.171 385 K HN 0.391 nan 8.250 nan 0.000 0.426 386 F N 4.425 124.270 119.950 -0.175 0.000 2.585 386 F HA 0.332 4.859 4.527 -0.000 0.000 0.319 386 F C -2.597 172.951 175.800 -0.420 0.000 1.165 386 F CA -1.997 55.834 58.000 -0.282 0.000 0.949 386 F CB 1.812 40.679 39.000 -0.222 0.000 1.218 386 F HN 0.309 nan 8.300 nan 0.000 0.453 387 P HA 0.171 nan 4.420 nan 0.000 0.285 387 P C 0.321 177.260 177.300 -0.603 0.000 1.259 387 P CA -0.088 62.560 63.100 -0.753 0.000 0.794 387 P CB 0.879 32.084 31.700 -0.825 0.000 0.940 388 F N 2.004 121.872 119.950 -0.136 0.000 2.583 388 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 388 F C 2.364 178.147 175.800 -0.028 0.000 1.131 388 F CA 1.236 59.236 58.000 0.000 0.000 1.467 388 F CB -0.886 38.131 39.000 0.029 0.000 1.097 388 F HN 0.379 nan 8.300 nan 0.000 0.586 389 A N -0.627 122.188 122.820 -0.007 0.000 2.167 389 A HA 0.318 4.638 4.320 -0.000 0.000 0.214 389 A C 2.086 179.671 177.584 0.001 0.000 1.151 389 A CA 1.065 53.106 52.037 0.007 0.000 0.735 389 A CB -0.616 18.363 19.000 -0.036 0.000 0.802 389 A HN 0.208 nan 8.150 nan 0.000 0.467 390 A N -0.572 122.195 122.820 -0.088 0.000 2.390 390 A HA 0.204 4.524 4.320 -0.000 0.000 0.232 390 A C 0.660 178.412 177.584 0.280 0.000 1.233 390 A CA -0.311 51.747 52.037 0.035 0.000 0.907 390 A CB -0.214 18.694 19.000 -0.153 0.000 0.967 390 A HN 0.445 nan 8.150 nan 0.000 0.512 391 N N 0.328 119.211 118.700 0.306 0.000 2.472 391 N HA 0.126 4.866 4.740 -0.000 0.000 0.277 391 N C 0.499 176.151 175.510 0.236 0.000 1.081 391 N CA 0.148 53.413 53.050 0.358 0.000 0.973 391 N CB 1.180 39.915 38.487 0.413 0.000 1.105 391 N HN 0.079 nan 8.380 nan 0.000 0.470 392 S N 3.434 119.250 115.700 0.193 0.000 2.368 392 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 392 S C 1.726 176.365 174.600 0.064 0.000 1.030 392 S CA 0.945 59.218 58.200 0.121 0.000 0.999 392 S CB -0.055 63.203 63.200 0.097 0.000 0.844 392 S HN 0.651 nan 8.310 nan 0.000 0.459 393 R N 0.892 121.423 120.500 0.051 0.000 2.090 393 R HA 0.023 4.363 4.340 -0.000 0.000 0.228 393 R C 2.411 178.762 176.300 0.084 0.000 1.110 393 R CA 1.077 57.202 56.100 0.041 0.000 0.973 393 R CB -0.402 29.919 30.300 0.034 0.000 0.869 393 R HN 0.373 nan 8.270 nan 0.000 0.440 394 A N 1.253 124.159 122.820 0.143 0.000 1.883 394 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 394 A C 2.031 179.684 177.584 0.115 0.000 1.186 394 A CA 1.841 53.962 52.037 0.140 0.000 0.624 394 A CB -0.439 18.716 19.000 0.259 0.000 0.822 394 A HN 0.222 nan 8.150 nan 0.000 0.444 395 K N -0.279 120.194 120.400 0.123 0.000 2.057 395 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 395 K C 1.901 178.547 176.600 0.076 0.000 1.050 395 K CA 2.281 58.627 56.287 0.099 0.000 0.935 395 K CB -0.986 31.577 32.500 0.105 0.000 0.715 395 K HN 0.415 nan 8.250 nan 0.000 0.439 396 T N 1.132 115.726 114.554 0.067 0.000 2.788 396 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 396 T C 1.202 175.929 174.700 0.046 0.000 1.044 396 T CA 1.435 63.564 62.100 0.048 0.000 1.139 396 T CB -0.282 68.606 68.868 0.033 0.000 0.867 396 T HN 0.244 nan 8.240 nan 0.000 0.454 397 N N 1.014 119.747 118.700 0.056 0.000 2.461 397 N HA 0.265 5.005 4.740 -0.000 0.000 0.188 397 N C 0.897 176.451 175.510 0.072 0.000 1.134 397 N CA 0.586 53.673 53.050 0.061 0.000 0.878 397 N CB -0.188 38.342 38.487 0.071 0.000 0.972 397 N HN 0.429 nan 8.380 nan 0.000 0.456 398 A N 1.098 123.960 122.820 0.071 0.000 2.560 398 A HA -0.206 4.114 4.320 -0.000 0.000 0.299 398 A C -0.264 177.377 177.584 0.095 0.000 1.484 398 A CA 1.076 53.158 52.037 0.075 0.000 0.749 398 A CB -1.820 17.216 19.000 0.060 0.000 1.072 398 A HN 0.316 nan 8.150 nan 0.000 0.426 399 D N -0.351 120.110 120.400 0.102 0.000 2.411 399 D HA 0.409 5.049 4.640 -0.000 0.000 0.239 399 D C 0.615 176.963 176.300 0.080 0.000 1.307 399 D CA 0.509 54.581 54.000 0.120 0.000 0.930 399 D CB 0.245 41.139 40.800 0.156 0.000 1.395 399 D HN 0.614 nan 8.370 nan 0.000 0.536 400 T N -0.988 113.623 114.554 0.095 0.000 3.252 400 T HA 0.262 4.612 4.350 -0.000 0.000 0.286 400 T C 0.294 175.070 174.700 0.127 0.000 1.013 400 T CA -0.591 61.579 62.100 0.117 0.000 0.914 400 T CB 0.137 69.077 68.868 0.120 0.000 1.131 400 T HN -0.006 nan 8.240 nan 0.000 0.529 401 D N 2.045 122.501 120.400 0.094 0.000 2.400 401 D HA 0.484 5.124 4.640 -0.000 0.000 0.238 401 D C 1.287 177.684 176.300 0.161 0.000 1.157 401 D CA 1.587 55.651 54.000 0.108 0.000 0.889 401 D CB 0.555 41.416 40.800 0.101 0.000 1.199 401 D HN 0.623 nan 8.370 nan 0.000 0.436 402 G N -0.129 108.770 108.800 0.165 0.000 2.693 402 G HA2 0.022 3.982 3.960 -0.000 0.000 0.226 402 G HA3 0.022 3.982 3.960 -0.000 0.000 0.226 402 G C -0.353 174.686 174.900 0.231 0.000 1.354 402 G CA 0.178 45.410 45.100 0.221 0.000 0.873 402 G HN 0.813 nan 8.290 nan 0.000 0.562 403 M N -3.184 116.540 119.600 0.207 0.000 2.949 403 M HA 0.744 5.224 4.480 -0.000 0.000 0.270 403 M C -1.383 174.901 176.300 -0.026 0.000 1.221 403 M CA -1.158 54.102 55.300 -0.066 0.000 0.818 403 M CB 1.759 34.291 32.600 -0.114 0.000 1.635 403 M HN 1.032 nan 8.290 nan 0.000 0.492 404 V N 1.684 121.519 119.914 -0.131 0.000 2.513 404 V HA 0.609 4.729 4.120 -0.000 0.000 0.299 404 V C -0.725 175.402 176.094 0.055 0.000 1.035 404 V CA -0.495 61.818 62.300 0.021 0.000 0.889 404 V CB 1.777 33.607 31.823 0.012 0.000 0.988 404 V HN 0.774 nan 8.190 nan 0.000 0.440 405 K N 5.128 125.601 120.400 0.122 0.000 2.463 405 K HA 0.589 4.909 4.320 -0.000 0.000 0.255 405 K C -1.601 175.096 176.600 0.162 0.000 0.942 405 K CA -0.612 55.745 56.287 0.116 0.000 0.814 405 K CB 1.305 33.864 32.500 0.099 0.000 1.122 405 K HN 0.476 nan 8.250 nan 0.000 0.425 406 I N 5.669 126.298 120.570 0.098 0.000 2.441 406 I HA 0.362 4.532 4.170 -0.000 0.000 0.295 406 I C -0.413 175.767 176.117 0.105 0.000 0.994 406 I CA -0.926 60.424 61.300 0.083 0.000 1.144 406 I CB 1.565 39.550 38.000 -0.025 0.000 1.314 406 I HN 0.594 nan 8.210 nan 0.000 0.445 407 L N 5.241 126.532 121.223 0.114 0.000 2.319 407 L HA 0.693 5.033 4.340 -0.000 0.000 0.281 407 L C 0.346 177.276 176.870 0.101 0.000 1.005 407 L CA -0.406 54.498 54.840 0.108 0.000 0.828 407 L CB 1.877 43.940 42.059 0.007 0.000 1.227 407 L HN 0.691 nan 8.230 nan 0.000 0.415 408 G N 1.673 110.556 108.800 0.139 0.000 2.482 408 G HA2 0.449 4.409 3.960 -0.000 0.000 0.317 408 G HA3 0.449 4.409 3.960 -0.000 0.000 0.317 408 G C -1.320 173.664 174.900 0.141 0.000 1.241 408 G CA -0.446 44.719 45.100 0.109 0.000 0.967 408 G HN 0.518 nan 8.290 nan 0.000 0.482 409 Q N 0.653 120.517 119.800 0.107 0.000 2.296 409 Q HA 0.184 4.524 4.340 -0.000 0.000 0.262 409 Q C 1.530 177.578 176.000 0.079 0.000 0.981 409 Q CA -0.338 55.530 55.803 0.107 0.000 0.905 409 Q CB 1.062 29.847 28.738 0.079 0.000 1.186 409 Q HN 0.576 nan 8.270 nan 0.000 0.399 410 K N 1.879 122.321 120.400 0.071 0.000 2.074 410 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 410 K C 1.686 178.301 176.600 0.026 0.000 1.048 410 K CA 2.426 58.732 56.287 0.032 0.000 0.926 410 K CB -0.073 32.431 32.500 0.006 0.000 0.713 410 K HN 0.712 nan 8.250 nan 0.000 0.444 411 S N -1.478 114.241 115.700 0.030 0.000 2.377 411 S HA -0.098 4.372 4.470 -0.000 0.000 0.223 411 S C 1.943 176.559 174.600 0.027 0.000 1.030 411 S CA 1.246 59.461 58.200 0.024 0.000 0.970 411 S CB -0.547 62.667 63.200 0.024 0.000 0.830 411 S HN 0.514 nan 8.310 nan 0.000 0.473 412 T N -2.856 111.719 114.554 0.034 0.000 3.023 412 T HA 0.248 4.598 4.350 -0.000 0.000 0.253 412 T C 0.458 175.180 174.700 0.037 0.000 1.038 412 T CA 0.616 62.736 62.100 0.034 0.000 0.962 412 T CB -0.200 68.690 68.868 0.036 0.000 1.018 412 T HN 0.279 nan 8.240 nan 0.000 0.521 413 D N 0.890 121.314 120.400 0.041 0.000 3.077 413 D HA -0.201 4.439 4.640 -0.000 0.000 0.217 413 D C 0.193 176.520 176.300 0.045 0.000 1.162 413 D CA 0.699 54.725 54.000 0.042 0.000 0.943 413 D CB -1.386 39.437 40.800 0.037 0.000 1.122 413 D HN 0.713 nan 8.370 nan 0.000 0.413 414 R N -0.141 120.389 120.500 0.050 0.000 2.537 414 R HA 0.325 4.665 4.340 -0.000 0.000 0.280 414 R C -0.208 176.127 176.300 0.059 0.000 1.058 414 R CA -0.329 55.804 56.100 0.054 0.000 1.057 414 R CB 0.672 31.005 30.300 0.055 0.000 0.973 414 R HN -0.017 nan 8.270 nan 0.000 0.438 415 V N 7.773 127.723 119.914 0.060 0.000 2.421 415 V HA -0.027 4.093 4.120 -0.000 0.000 0.271 415 V C 1.257 177.390 176.094 0.066 0.000 1.031 415 V CA 0.353 62.690 62.300 0.062 0.000 1.032 415 V CB 0.674 32.540 31.823 0.072 0.000 1.009 415 V HN 0.820 nan 8.190 nan 0.000 0.477 416 L N 4.149 125.409 121.223 0.062 0.000 2.354 416 L HA 0.431 4.771 4.340 -0.000 0.000 0.212 416 L C 1.092 177.995 176.870 0.054 0.000 1.091 416 L CA 0.732 55.603 54.840 0.052 0.000 0.828 416 L CB 0.100 42.180 42.059 0.035 0.000 0.973 416 L HN 0.771 nan 8.230 nan 0.000 0.461 417 G N -0.293 108.547 108.800 0.066 0.000 2.755 417 G HA2 0.647 4.607 3.960 -0.000 0.000 0.297 417 G HA3 0.647 4.607 3.960 -0.000 0.000 0.297 417 G C -1.927 172.998 174.900 0.042 0.000 1.441 417 G CA -0.043 45.093 45.100 0.060 0.000 0.964 417 G HN -0.002 nan 8.290 nan 0.000 0.540 418 A N 2.026 124.780 122.820 -0.111 0.000 2.356 418 A HA 0.889 5.209 4.320 -0.000 0.000 0.310 418 A C -0.945 176.434 177.584 -0.341 0.000 1.075 418 A CA -0.734 51.294 52.037 -0.014 0.000 0.746 418 A CB 1.197 20.325 19.000 0.213 0.000 1.221 418 A HN 0.765 nan 8.150 nan 0.000 0.443 419 H N 2.112 121.290 119.070 0.180 0.000 2.782 419 H HA 0.472 5.028 4.556 -0.000 0.000 0.347 419 H C -1.424 173.994 175.328 0.150 0.000 1.038 419 H CA -0.266 55.876 56.048 0.156 0.000 1.255 419 H CB 1.667 31.456 29.762 0.046 0.000 1.623 419 H HN 0.550 nan 8.280 nan 0.000 0.525 420 I N 3.976 124.688 120.570 0.237 0.000 2.447 420 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 420 I C -0.814 175.404 176.117 0.167 0.000 1.023 420 I CA -0.780 60.653 61.300 0.223 0.000 1.083 420 I CB 2.292 40.413 38.000 0.201 0.000 1.245 420 I HN 0.193 nan 8.210 nan 0.000 0.434 421 L N 6.918 128.262 121.223 0.203 0.000 2.342 421 L HA 0.983 5.323 4.340 -0.000 0.000 0.276 421 L C -0.073 176.916 176.870 0.197 0.000 0.997 421 L CA 0.407 55.316 54.840 0.115 0.000 0.838 421 L CB 0.908 43.027 42.059 0.099 0.000 1.224 421 L HN 0.825 nan 8.230 nan 0.000 0.416 422 G N 4.422 113.215 108.800 -0.012 0.000 2.339 422 G HA2 0.141 4.101 3.960 -0.000 0.000 0.275 422 G HA3 0.141 4.101 3.960 -0.000 0.000 0.275 422 G C -3.367 171.212 174.900 -0.534 0.000 1.323 422 G CA -0.502 44.435 45.100 -0.271 0.000 0.927 422 G HN 0.480 nan 8.290 nan 0.000 0.486 423 P HA 0.381 nan 4.420 nan 0.000 0.271 423 P C 0.979 177.998 177.300 -0.469 0.000 1.216 423 P CA 1.678 64.423 63.100 -0.592 0.000 0.776 423 P CB 1.019 32.433 31.700 -0.477 0.000 0.881 424 G N 2.424 111.061 108.800 -0.272 0.000 2.155 424 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 424 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 424 G C 1.112 175.931 174.900 -0.136 0.000 0.983 424 G CA 0.542 45.547 45.100 -0.157 0.000 0.676 424 G HN 0.707 nan 8.290 nan 0.000 0.528 425 A N 0.140 122.858 122.820 -0.170 0.000 1.892 425 A HA 0.193 4.513 4.320 -0.000 0.000 0.218 425 A C 2.885 180.356 177.584 -0.189 0.000 1.188 425 A CA 2.424 54.383 52.037 -0.131 0.000 0.631 425 A CB -1.111 17.807 19.000 -0.137 0.000 0.822 425 A HN 1.670 nan 8.150 nan 0.000 0.447 426 G N -0.737 107.905 108.800 -0.263 0.000 2.442 426 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.219 426 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.219 426 G C 1.441 176.225 174.900 -0.193 0.000 1.141 426 G CA 1.171 46.081 45.100 -0.317 0.000 0.763 426 G HN 0.511 nan 8.290 nan 0.000 0.554 427 E N -0.228 119.892 120.200 -0.134 0.000 2.060 427 E HA 0.049 4.399 4.350 -0.000 0.000 0.189 427 E C 2.411 178.929 176.600 -0.136 0.000 0.974 427 E CA 0.221 56.559 56.400 -0.103 0.000 0.808 427 E CB -0.538 29.124 29.700 -0.062 0.000 0.768 427 E HN 0.429 nan 8.360 nan 0.000 0.453 428 M N 0.838 120.354 119.600 -0.141 0.000 2.143 428 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 428 M C 2.236 178.346 176.300 -0.315 0.000 1.071 428 M CA 1.173 56.351 55.300 -0.203 0.000 1.088 428 M CB -0.087 32.434 32.600 -0.132 0.000 1.360 428 M HN -0.016 nan 8.290 nan 0.000 0.404 429 V N 0.968 120.735 119.914 -0.245 0.000 2.867 429 V HA -0.282 3.838 4.120 -0.000 0.000 0.260 429 V C 1.134 177.096 176.094 -0.220 0.000 1.099 429 V CA 2.311 64.468 62.300 -0.238 0.000 1.122 429 V CB -0.850 30.851 31.823 -0.205 0.000 0.708 429 V HN 0.624 nan 8.190 nan 0.000 0.490 430 N N -0.362 118.216 118.700 -0.203 0.000 2.457 430 N HA -0.102 4.638 4.740 -0.000 0.000 0.180 430 N C 1.773 177.198 175.510 -0.142 0.000 1.050 430 N CA 0.914 53.871 53.050 -0.156 0.000 0.906 430 N CB -0.044 38.364 38.487 -0.132 0.000 0.968 430 N HN 0.609 nan 8.380 nan 0.000 0.445 431 E N 0.830 120.903 120.200 -0.212 0.000 2.158 431 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 431 E C 1.838 178.361 176.600 -0.128 0.000 0.982 431 E CA 0.609 56.905 56.400 -0.174 0.000 0.823 431 E CB 0.065 29.609 29.700 -0.260 0.000 0.766 431 E HN 0.393 nan 8.360 nan 0.000 0.468 432 A N 1.200 123.875 122.820 -0.241 0.000 1.929 432 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 432 A C 2.362 179.962 177.584 0.027 0.000 1.176 432 A CA 1.444 53.483 52.037 0.002 0.000 0.628 432 A CB -0.575 18.420 19.000 -0.008 0.000 0.816 432 A HN 0.366 nan 8.150 nan 0.000 0.444 433 A N -0.339 122.457 122.820 -0.041 0.000 1.908 433 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 433 A C 2.107 179.678 177.584 -0.023 0.000 1.181 433 A CA 1.787 53.804 52.037 -0.033 0.000 0.627 433 A CB -0.603 18.358 19.000 -0.065 0.000 0.818 433 A HN 0.657 nan 8.150 nan 0.000 0.445 434 L N -0.190 121.026 121.223 -0.012 0.000 2.017 434 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 434 L C 2.668 179.591 176.870 0.089 0.000 1.073 434 L CA 2.237 57.083 54.840 0.010 0.000 0.745 434 L CB -1.041 41.053 42.059 0.057 0.000 0.894 434 L HN 0.350 nan 8.230 nan 0.000 0.432 435 A N -0.508 122.397 122.820 0.142 0.000 1.877 435 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 435 A C 2.285 179.956 177.584 0.145 0.000 1.186 435 A CA 1.883 54.036 52.037 0.194 0.000 0.620 435 A CB -0.905 18.228 19.000 0.222 0.000 0.822 435 A HN 0.470 nan 8.150 nan 0.000 0.443 436 L N -0.867 120.411 121.223 0.092 0.000 2.042 436 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 436 L C 2.643 179.526 176.870 0.022 0.000 1.076 436 L CA 2.213 57.089 54.840 0.060 0.000 0.749 436 L CB -0.778 41.305 42.059 0.041 0.000 0.893 436 L HN 0.461 nan 8.230 nan 0.000 0.432 437 E N -0.438 119.733 120.200 -0.049 0.000 2.160 437 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 437 E C 1.614 178.098 176.600 -0.194 0.000 0.991 437 E CA 1.424 57.723 56.400 -0.168 0.000 0.810 437 E CB -0.088 29.422 29.700 -0.316 0.000 0.742 437 E HN 0.459 nan 8.360 nan 0.000 0.466 438 Y N -1.385 118.927 120.300 0.021 0.000 2.457 438 Y HA 0.294 4.844 4.550 -0.000 0.000 0.263 438 Y C 1.459 177.371 175.900 0.019 0.000 1.164 438 Y CA 0.418 58.528 58.100 0.016 0.000 1.274 438 Y CB 0.682 39.152 38.460 0.017 0.000 1.097 438 Y HN 0.106 nan 8.280 nan 0.000 0.523 439 G N 0.476 109.366 108.800 0.150 0.000 2.176 439 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.252 439 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.252 439 G C 0.449 175.413 174.900 0.106 0.000 1.024 439 G CA -0.022 45.142 45.100 0.106 0.000 0.755 439 G HN 0.629 nan 8.290 nan 0.000 0.507 440 A N -0.107 122.793 122.820 0.133 0.000 2.507 440 A HA 0.654 4.974 4.320 -0.000 0.000 0.235 440 A C 1.146 178.777 177.584 0.077 0.000 1.070 440 A CA 1.075 53.175 52.037 0.106 0.000 0.768 440 A CB 0.306 19.385 19.000 0.133 0.000 1.011 440 A HN 2.106 nan 8.150 nan 0.000 0.502 441 S N 0.028 115.761 115.700 0.056 0.000 2.687 441 S HA 0.272 4.742 4.470 -0.000 0.000 0.283 441 S C 1.030 175.646 174.600 0.026 0.000 1.170 441 S CA -0.141 58.084 58.200 0.041 0.000 1.008 441 S CB 0.778 63.998 63.200 0.033 0.000 1.026 441 S HN 0.738 nan 8.310 nan 0.000 0.541 442 C N 0.729 120.037 119.300 0.012 0.000 2.425 442 C HA -0.005 4.455 4.460 -0.000 0.000 0.277 442 C C 2.671 177.647 174.990 -0.022 0.000 1.280 442 C CA 1.069 60.073 59.018 -0.025 0.000 1.744 442 C CB -1.636 26.094 27.740 -0.017 0.000 1.989 442 C HN 1.089 nan 8.230 nan 0.000 0.491 443 E N 1.192 121.395 120.200 0.005 0.000 2.106 443 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 443 E C 1.394 177.996 176.600 0.003 0.000 0.984 443 E CA 1.363 57.766 56.400 0.005 0.000 0.806 443 E CB -0.160 29.552 29.700 0.020 0.000 0.750 443 E HN 0.494 nan 8.360 nan 0.000 0.458 444 D N 0.783 121.191 120.400 0.014 0.000 2.106 444 D HA -0.204 4.436 4.640 -0.000 0.000 0.191 444 D C 2.032 178.354 176.300 0.037 0.000 0.997 444 D CA 1.425 55.438 54.000 0.021 0.000 0.834 444 D CB -0.286 40.533 40.800 0.032 0.000 0.956 444 D HN 0.327 nan 8.370 nan 0.000 0.448 445 I N 0.904 121.500 120.570 0.043 0.000 2.286 445 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 445 I C 2.424 178.580 176.117 0.065 0.000 1.115 445 I CA 0.987 62.338 61.300 0.085 0.000 1.392 445 I CB -0.200 37.814 38.000 0.023 0.000 1.065 445 I HN -0.073 nan 8.210 nan 0.000 0.418 446 A N 0.708 123.512 122.820 -0.027 0.000 2.019 446 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 446 A C 2.298 179.868 177.584 -0.023 0.000 1.164 446 A CA 1.357 53.355 52.037 -0.065 0.000 0.644 446 A CB -0.453 18.498 19.000 -0.081 0.000 0.805 446 A HN 0.364 nan 8.150 nan 0.000 0.449 447 R N -0.917 119.586 120.500 0.004 0.000 2.300 447 R HA 0.177 4.517 4.340 -0.000 0.000 0.199 447 R C -0.355 175.968 176.300 0.039 0.000 0.920 447 R CA -0.138 55.965 56.100 0.005 0.000 1.046 447 R CB 0.169 30.464 30.300 -0.009 0.000 0.984 447 R HN 0.287 nan 8.270 nan 0.000 0.493 448 V N 1.373 121.342 119.914 0.091 0.000 2.508 448 V HA -0.035 4.084 4.120 -0.000 0.000 0.281 448 V C 0.490 176.683 176.094 0.165 0.000 1.041 448 V CA -0.625 61.730 62.300 0.091 0.000 1.016 448 V CB 1.188 33.060 31.823 0.081 0.000 0.984 448 V HN 0.314 nan 8.190 nan 0.000 0.478 449 C N 7.511 126.852 119.300 0.069 0.000 2.610 449 C HA 0.266 4.726 4.460 -0.000 0.000 0.382 449 C C 0.467 175.500 174.990 0.072 0.000 1.287 449 C CA -0.393 58.679 59.018 0.089 0.000 1.640 449 C CB -1.853 25.907 27.740 0.034 0.000 2.335 449 C HN 0.880 nan 8.230 nan 0.000 0.577 450 H N 3.351 122.439 119.070 0.030 0.000 2.467 450 H HA 0.523 5.079 4.556 -0.000 0.000 0.331 450 H C 0.589 175.951 175.328 0.057 0.000 1.120 450 H CA 0.454 56.529 56.048 0.046 0.000 1.270 450 H CB 1.115 30.910 29.762 0.055 0.000 1.466 450 H HN 0.856 nan 8.280 nan 0.000 0.504 451 A N 2.190 125.100 122.820 0.149 0.000 2.511 451 A HA 0.151 4.471 4.320 -0.000 0.000 0.242 451 A C -0.404 177.268 177.584 0.147 0.000 1.069 451 A CA 0.187 52.294 52.037 0.117 0.000 0.763 451 A CB -0.394 18.647 19.000 0.068 0.000 1.001 451 A HN 0.876 nan 8.150 nan 0.000 0.498 452 H N 2.681 121.786 119.070 0.058 0.000 2.505 452 H HA 0.634 5.190 4.556 -0.000 0.000 0.338 452 H C -2.403 172.953 175.328 0.047 0.000 1.057 452 H CA -1.478 54.602 56.048 0.053 0.000 1.202 452 H CB 1.328 31.114 29.762 0.041 0.000 1.466 452 H HN 0.577 nan 8.280 nan 0.000 0.499 453 P HA 0.309 nan 4.420 nan 0.000 0.303 453 P C -1.305 175.897 177.300 -0.163 0.000 1.350 453 P CA -0.629 62.126 63.100 -0.574 0.000 0.880 453 P CB 1.927 33.229 31.700 -0.663 0.000 1.018 454 T N -1.231 113.290 114.554 -0.055 0.000 2.864 454 T HA 0.369 4.719 4.350 -0.000 0.000 0.299 454 T C 1.147 175.906 174.700 0.097 0.000 1.166 454 T CA -0.913 61.209 62.100 0.036 0.000 1.007 454 T CB 0.863 69.774 68.868 0.072 0.000 1.219 454 T HN 0.107 nan 8.240 nan 0.000 0.506 455 L N 1.429 122.733 121.223 0.135 0.000 2.141 455 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 455 L C 3.086 180.113 176.870 0.262 0.000 1.094 455 L CA 1.561 56.553 54.840 0.253 0.000 0.763 455 L CB -0.710 41.471 42.059 0.204 0.000 0.908 455 L HN 0.966 nan 8.230 nan 0.000 0.437 456 S N -0.294 115.523 115.700 0.196 0.000 2.462 456 S HA -0.242 4.228 4.470 -0.000 0.000 0.243 456 S C 1.618 176.305 174.600 0.145 0.000 1.003 456 S CA 1.394 59.735 58.200 0.235 0.000 0.970 456 S CB -0.405 62.985 63.200 0.316 0.000 0.762 456 S HN 0.531 nan 8.310 nan 0.000 0.510 457 E N 1.011 121.248 120.200 0.061 0.000 2.274 457 E HA 0.053 4.403 4.350 -0.000 0.000 0.194 457 E C 2.301 178.732 176.600 -0.281 0.000 0.996 457 E CA 0.736 57.063 56.400 -0.122 0.000 0.840 457 E CB -0.316 29.367 29.700 -0.028 0.000 0.772 457 E HN 0.785 nan 8.360 nan 0.000 0.491 458 A N 0.746 123.478 122.820 -0.147 0.000 1.929 458 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 458 A C 1.861 179.307 177.584 -0.230 0.000 1.176 458 A CA 0.714 52.578 52.037 -0.288 0.000 0.628 458 A CB -0.467 18.339 19.000 -0.322 0.000 0.816 458 A HN 0.306 nan 8.150 nan 0.000 0.444 459 F N 0.607 120.434 119.950 -0.206 0.000 2.113 459 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 459 F C 2.338 178.008 175.800 -0.216 0.000 1.103 459 F CA 1.791 59.711 58.000 -0.132 0.000 1.248 459 F CB -0.306 38.678 39.000 -0.027 0.000 0.999 459 F HN 0.204 nan 8.300 nan 0.000 0.475 460 R N 0.418 120.700 120.500 -0.364 0.000 2.081 460 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 460 R C 2.135 178.166 176.300 -0.448 0.000 1.131 460 R CA 1.878 57.648 56.100 -0.549 0.000 0.960 460 R CB -0.421 29.350 30.300 -0.882 0.000 0.856 460 R HN 0.313 nan 8.270 nan 0.000 0.436 461 E N 0.034 119.921 120.200 -0.522 0.000 2.106 461 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 461 E C 1.862 178.286 176.600 -0.293 0.000 0.984 461 E CA 1.077 57.160 56.400 -0.529 0.000 0.806 461 E CB -0.057 28.930 29.700 -1.188 0.000 0.750 461 E HN 0.470 nan 8.360 nan 0.000 0.458 462 A N 1.785 124.447 122.820 -0.263 0.000 1.969 462 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 462 A C 1.943 179.443 177.584 -0.139 0.000 1.169 462 A CA 1.115 53.096 52.037 -0.093 0.000 0.635 462 A CB -0.359 18.595 19.000 -0.077 0.000 0.810 462 A HN 0.151 nan 8.150 nan 0.000 0.445 463 N N -0.382 118.153 118.700 -0.274 0.000 2.216 463 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 463 N C 1.686 177.131 175.510 -0.108 0.000 1.017 463 N CA 1.438 54.349 53.050 -0.232 0.000 0.861 463 N CB -0.265 38.010 38.487 -0.353 0.000 0.986 463 N HN 0.422 nan 8.380 nan 0.000 0.428 464 L N 1.550 122.706 121.223 -0.111 0.000 2.046 464 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 464 L C 2.201 179.114 176.870 0.071 0.000 1.077 464 L CA 1.479 56.298 54.840 -0.034 0.000 0.747 464 L CB -0.840 41.167 42.059 -0.086 0.000 0.896 464 L HN 0.053 nan 8.230 nan 0.000 0.432 465 A N -0.320 122.538 122.820 0.063 0.000 1.877 465 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 465 A C 2.478 180.115 177.584 0.089 0.000 1.186 465 A CA 2.057 54.164 52.037 0.118 0.000 0.620 465 A CB -1.303 17.777 19.000 0.134 0.000 0.822 465 A HN 0.581 nan 8.150 nan 0.000 0.443 466 A N -0.955 121.896 122.820 0.051 0.000 1.883 466 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 466 A C 2.521 180.136 177.584 0.051 0.000 1.186 466 A CA 2.395 54.459 52.037 0.045 0.000 0.624 466 A CB -0.994 18.023 19.000 0.027 0.000 0.822 466 A HN 0.580 nan 8.150 nan 0.000 0.444 467 S N -1.929 113.807 115.700 0.060 0.000 2.335 467 S HA -0.087 4.383 4.470 -0.000 0.000 0.217 467 S C 1.706 176.386 174.600 0.133 0.000 1.032 467 S CA 1.560 59.808 58.200 0.080 0.000 0.985 467 S CB -0.395 62.846 63.200 0.068 0.000 0.896 467 S HN 0.603 nan 8.310 nan 0.000 0.445 468 F N 0.655 120.597 119.950 -0.012 0.000 2.619 468 F HA 0.357 4.884 4.527 -0.000 0.000 0.293 468 F C 1.519 177.317 175.800 -0.003 0.000 1.119 468 F CA 1.173 59.168 58.000 -0.008 0.000 1.445 468 F CB 0.302 39.295 39.000 -0.012 0.000 1.119 468 F HN 0.432 nan 8.300 nan 0.000 0.573 469 G N 0.907 109.729 108.800 0.036 0.000 2.259 469 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.217 469 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.217 469 G C 0.242 175.170 174.900 0.046 0.000 1.001 469 G CA 0.041 45.105 45.100 -0.060 0.000 0.627 469 G HN 0.388 nan 8.290 nan 0.000 0.501 470 K N 0.399 120.937 120.400 0.231 0.000 2.469 470 K HA 0.675 4.995 4.320 -0.000 0.000 0.254 470 K C -0.548 176.220 176.600 0.281 0.000 0.939 470 K CA -0.527 55.912 56.287 0.252 0.000 0.812 470 K CB 2.155 34.818 32.500 0.272 0.000 1.301 470 K HN 0.129 nan 8.250 nan 0.000 0.433 471 S N 1.257 117.092 115.700 0.225 0.000 2.738 471 S HA 0.353 4.823 4.470 -0.000 0.000 0.284 471 S C 1.211 175.900 174.600 0.148 0.000 1.146 471 S CA -0.714 57.596 58.200 0.185 0.000 0.997 471 S CB 0.585 63.994 63.200 0.349 0.000 1.081 471 S HN 0.429 nan 8.310 nan 0.000 0.553 472 I N 1.450 122.075 120.570 0.092 0.000 2.385 472 I HA 0.028 4.198 4.170 -0.000 0.000 0.244 472 I C 1.420 177.623 176.117 0.144 0.000 1.089 472 I CA 1.053 62.395 61.300 0.070 0.000 1.410 472 I CB -1.070 36.932 38.000 0.002 0.000 1.117 472 I HN 0.526 nan 8.210 nan 0.000 0.429 473 N N -0.127 118.721 118.700 0.247 0.000 2.383 473 N HA 0.049 4.789 4.740 -0.000 0.000 0.192 473 N C -0.123 175.662 175.510 0.457 0.000 1.141 473 N CA 0.248 53.504 53.050 0.343 0.000 0.851 473 N CB 0.705 39.419 38.487 0.377 0.000 0.976 473 N HN 0.184 nan 8.380 nan 0.000 0.465 474 F N 0.000 120.096 119.950 0.243 0.000 2.286 474 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 474 F CA 0.000 58.049 58.000 0.081 0.000 1.383 474 F CB 0.000 38.923 39.000 -0.129 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574