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 1ady_1_B DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.696 174.700 -0.006 0.000 1.109 2 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 2 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 3 A N 2.837 125.651 122.820 -0.009 0.000 2.520 3 A HA 0.559 4.878 4.320 -0.001 0.000 0.235 3 A C 0.396 177.976 177.584 -0.007 0.000 1.065 3 A CA 0.537 52.567 52.037 -0.010 0.000 0.764 3 A CB 0.143 19.134 19.000 -0.015 0.000 1.002 3 A HN 0.356 nan 8.150 nan 0.000 0.502 4 R N -0.134 120.363 120.500 -0.005 0.000 2.905 4 R HA 0.639 4.979 4.340 -0.001 0.000 0.260 4 R C -0.339 175.960 176.300 -0.002 0.000 1.086 4 R CA -0.349 55.751 56.100 -0.001 0.000 0.978 4 R CB 1.773 32.075 30.300 0.004 0.000 1.215 4 R HN 0.894 nan 8.270 nan 0.000 0.480 5 A N 1.383 124.206 122.820 0.004 0.000 2.451 5 A HA 0.268 4.587 4.320 -0.001 0.000 0.266 5 A C 0.710 178.295 177.584 0.003 0.000 1.119 5 A CA -0.459 51.581 52.037 0.004 0.000 0.786 5 A CB -0.206 18.802 19.000 0.014 0.000 1.061 5 A HN 0.525 nan 8.150 nan 0.000 0.503 6 V N 1.358 121.270 119.914 -0.003 0.000 2.752 6 V HA 0.129 4.248 4.120 -0.001 0.000 0.306 6 V C 0.753 176.859 176.094 0.020 0.000 1.099 6 V CA -0.373 61.929 62.300 0.002 0.000 1.240 6 V CB -0.432 31.380 31.823 -0.017 0.000 0.887 6 V HN 0.946 nan 8.190 nan 0.000 0.499 7 R N 4.318 124.837 120.500 0.032 0.000 2.504 7 R HA 0.383 4.723 4.340 -0.001 0.000 0.291 7 R C 1.315 177.659 176.300 0.073 0.000 0.974 7 R CA 1.450 57.577 56.100 0.045 0.000 1.077 7 R CB -0.311 30.021 30.300 0.053 0.000 0.926 7 R HN 1.915 nan 8.270 nan 0.000 0.407 8 G N 1.945 110.780 108.800 0.058 0.000 2.218 8 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.216 8 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.216 8 G C 0.020 174.956 174.900 0.061 0.000 0.994 8 G CA 0.233 45.397 45.100 0.106 0.000 0.637 8 G HN 1.024 nan 8.290 nan 0.000 0.505 9 T N -1.511 113.056 114.554 0.021 0.000 2.930 9 T HA 0.807 5.157 4.350 -0.001 0.000 0.290 9 T C -0.625 174.059 174.700 -0.027 0.000 1.052 9 T CA 0.257 62.368 62.100 0.017 0.000 1.017 9 T CB 2.744 71.644 68.868 0.053 0.000 1.137 9 T HN 1.266 nan 8.240 nan 0.000 0.511 10 K N -0.022 120.374 120.400 -0.007 0.000 2.607 10 K HA 0.465 4.784 4.320 -0.001 0.000 0.287 10 K C -1.968 174.658 176.600 0.044 0.000 0.996 10 K CA -1.042 55.243 56.287 -0.004 0.000 0.876 10 K CB 1.074 33.534 32.500 -0.068 0.000 1.496 10 K HN 0.417 nan 8.250 nan 0.000 0.415 11 D N 1.801 122.250 120.400 0.082 0.000 2.308 11 D HA 0.233 4.872 4.640 -0.001 0.000 0.251 11 D C -0.406 175.982 176.300 0.146 0.000 1.127 11 D CA -0.072 54.019 54.000 0.151 0.000 0.876 11 D CB 1.023 41.958 40.800 0.225 0.000 1.176 11 D HN 0.335 nan 8.370 nan 0.000 0.446 12 L N 4.055 125.336 121.223 0.097 0.000 2.257 12 L HA 0.443 4.782 4.340 -0.001 0.000 0.290 12 L C -0.326 176.607 176.870 0.104 0.000 1.044 12 L CA -0.652 54.163 54.840 -0.042 0.000 0.810 12 L CB -0.067 41.896 42.059 -0.160 0.000 1.193 12 L HN 0.341 nan 8.230 nan 0.000 0.425 13 F N 0.969 120.863 119.950 -0.093 0.000 2.741 13 F HA 0.858 5.384 4.527 -0.001 0.000 0.313 13 F C 0.354 176.121 175.800 -0.055 0.000 1.153 13 F CA -0.319 57.643 58.000 -0.064 0.000 0.931 13 F CB 0.665 39.639 39.000 -0.042 0.000 1.335 13 F HN 0.633 nan 8.300 nan 0.000 0.460 14 G N 1.597 110.488 108.800 0.153 0.000 2.569 14 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.259 14 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.259 14 G C 0.504 175.377 174.900 -0.044 0.000 1.263 14 G CA 0.347 45.472 45.100 0.042 0.000 0.928 14 G HN 1.084 nan 8.290 nan 0.000 0.572 15 K N 0.172 120.539 120.400 -0.056 0.000 2.044 15 K HA -0.153 4.166 4.320 -0.001 0.000 0.210 15 K C 2.477 179.045 176.600 -0.053 0.000 1.049 15 K CA 1.972 58.237 56.287 -0.037 0.000 0.927 15 K CB -0.229 32.257 32.500 -0.024 0.000 0.713 15 K HN 0.610 nan 8.250 nan 0.000 0.443 16 E N 1.015 121.141 120.200 -0.124 0.000 2.070 16 E HA -0.227 4.122 4.350 -0.001 0.000 0.197 16 E C 2.027 178.506 176.600 -0.202 0.000 1.004 16 E CA 0.972 57.292 56.400 -0.134 0.000 0.805 16 E CB -0.018 29.545 29.700 -0.228 0.000 0.744 16 E HN 0.206 nan 8.360 nan 0.000 0.451 17 L N 0.810 121.891 121.223 -0.237 0.000 2.046 17 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 17 L C 2.397 179.228 176.870 -0.064 0.000 1.077 17 L CA 1.707 56.413 54.840 -0.223 0.000 0.747 17 L CB -0.448 41.545 42.059 -0.111 0.000 0.896 17 L HN 0.181 nan 8.230 nan 0.000 0.432 18 R N -0.853 119.637 120.500 -0.016 0.000 2.091 18 R HA -0.236 4.103 4.340 -0.001 0.000 0.238 18 R C 2.130 178.470 176.300 0.067 0.000 1.136 18 R CA 1.819 57.937 56.100 0.030 0.000 0.959 18 R CB -0.390 29.926 30.300 0.026 0.000 0.856 18 R HN 0.270 nan 8.270 nan 0.000 0.437 19 M N 0.063 119.715 119.600 0.086 0.000 2.117 19 M HA -0.165 4.314 4.480 -0.001 0.000 0.262 19 M C 1.727 178.130 176.300 0.172 0.000 1.065 19 M CA 1.799 57.171 55.300 0.120 0.000 1.114 19 M CB -0.337 32.345 32.600 0.136 0.000 1.361 19 M HN 0.220 nan 8.290 nan 0.000 0.408 20 H N -0.978 118.098 119.070 0.010 0.000 2.352 20 H HA -0.171 4.385 4.556 -0.001 0.000 0.299 20 H C 2.002 177.345 175.328 0.025 0.000 1.097 20 H CA 1.739 57.795 56.048 0.013 0.000 1.311 20 H CB -0.046 29.691 29.762 -0.041 0.000 1.377 20 H HN 0.575 nan 8.280 nan 0.000 0.504 21 Q N 0.367 120.262 119.800 0.157 0.000 2.167 21 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 21 Q C 2.373 178.426 176.000 0.089 0.000 0.970 21 Q CA 0.688 56.553 55.803 0.103 0.000 0.855 21 Q CB 0.047 28.830 28.738 0.074 0.000 0.911 21 Q HN 0.404 nan 8.270 nan 0.000 0.438 22 R N 0.354 120.901 120.500 0.078 0.000 2.066 22 R HA -0.061 4.278 4.340 -0.001 0.000 0.232 22 R C 2.297 178.628 176.300 0.052 0.000 1.131 22 R CA 1.050 57.182 56.100 0.053 0.000 0.955 22 R CB -0.255 30.067 30.300 0.036 0.000 0.851 22 R HN 0.261 nan 8.270 nan 0.000 0.432 23 I N 0.403 121.013 120.570 0.066 0.000 2.127 23 I HA -0.297 3.873 4.170 -0.001 0.000 0.241 23 I C 2.281 178.487 176.117 0.149 0.000 1.075 23 I CA 1.393 62.750 61.300 0.094 0.000 1.334 23 I CB -0.350 37.716 38.000 0.111 0.000 1.040 23 I HN -0.018 nan 8.210 nan 0.000 0.405 24 V N 1.036 121.037 119.914 0.145 0.000 2.490 24 V HA -0.275 3.844 4.120 -0.001 0.000 0.250 24 V C 2.684 178.862 176.094 0.140 0.000 1.061 24 V CA 1.798 64.201 62.300 0.172 0.000 1.064 24 V CB -1.148 30.782 31.823 0.178 0.000 0.670 24 V HN 0.499 nan 8.190 nan 0.000 0.461 25 A N 0.093 122.974 122.820 0.101 0.000 1.877 25 A HA -0.237 4.082 4.320 -0.001 0.000 0.216 25 A C 2.432 180.026 177.584 0.016 0.000 1.186 25 A CA 2.635 54.712 52.037 0.067 0.000 0.620 25 A CB -1.056 17.977 19.000 0.055 0.000 0.822 25 A HN 0.484 nan 8.150 nan 0.000 0.443 26 T N 0.272 114.833 114.554 0.011 0.000 2.708 26 T HA -0.017 4.333 4.350 -0.001 0.000 0.266 26 T C 2.243 176.913 174.700 -0.050 0.000 1.037 26 T CA 1.668 63.753 62.100 -0.025 0.000 1.146 26 T CB -0.521 68.326 68.868 -0.035 0.000 0.865 26 T HN 0.609 nan 8.240 nan 0.000 0.435 27 A N 1.768 124.591 122.820 0.006 0.000 1.940 27 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 27 A C 2.276 179.659 177.584 -0.335 0.000 1.176 27 A CA 2.045 54.076 52.037 -0.011 0.000 0.631 27 A CB -0.653 18.473 19.000 0.209 0.000 0.814 27 A HN 0.477 nan 8.150 nan 0.000 0.446 28 R N -0.095 120.154 120.500 -0.418 0.000 2.091 28 R HA -0.186 4.153 4.340 -0.001 0.000 0.238 28 R C 2.241 178.284 176.300 -0.428 0.000 1.136 28 R CA 2.020 57.691 56.100 -0.716 0.000 0.959 28 R CB -0.283 29.912 30.300 -0.176 0.000 0.856 28 R HN 0.564 nan 8.270 nan 0.000 0.437 29 K N 0.309 120.580 120.400 -0.215 0.000 1.985 29 K HA -0.127 4.192 4.320 -0.001 0.000 0.210 29 K C 2.092 178.600 176.600 -0.153 0.000 1.047 29 K CA 1.971 58.176 56.287 -0.137 0.000 0.932 29 K CB -0.185 32.268 32.500 -0.079 0.000 0.716 29 K HN 0.207 nan 8.250 nan 0.000 0.439 30 V N -0.178 119.646 119.914 -0.150 0.000 2.287 30 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 30 V C 2.213 178.209 176.094 -0.163 0.000 1.053 30 V CA 1.381 63.603 62.300 -0.129 0.000 1.027 30 V CB -0.800 30.960 31.823 -0.105 0.000 0.646 30 V HN 0.144 nan 8.190 nan 0.000 0.447 31 L N 0.830 121.902 121.223 -0.252 0.000 2.017 31 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 31 L C 2.808 179.550 176.870 -0.214 0.000 1.073 31 L CA 2.134 56.802 54.840 -0.287 0.000 0.745 31 L CB -1.292 40.483 42.059 -0.473 0.000 0.894 31 L HN 0.447 nan 8.230 nan 0.000 0.432 32 E N -0.907 119.129 120.200 -0.274 0.000 2.268 32 E HA -0.125 4.224 4.350 -0.001 0.000 0.195 32 E C 2.165 178.747 176.600 -0.030 0.000 0.995 32 E CA 0.809 57.155 56.400 -0.090 0.000 0.836 32 E CB -0.131 29.540 29.700 -0.048 0.000 0.763 32 E HN 0.490 nan 8.360 nan 0.000 0.491 33 A N 1.369 124.153 122.820 -0.060 0.000 2.015 33 A HA -0.005 4.314 4.320 -0.001 0.000 0.219 33 A C 2.262 179.838 177.584 -0.014 0.000 1.163 33 A CA 1.325 53.342 52.037 -0.033 0.000 0.646 33 A CB -0.218 18.754 19.000 -0.048 0.000 0.806 33 A HN 0.247 nan 8.150 nan 0.000 0.448 34 A N -1.807 121.002 122.820 -0.018 0.000 2.238 34 A HA 0.424 4.743 4.320 -0.001 0.000 0.208 34 A C 1.640 179.266 177.584 0.071 0.000 1.177 34 A CA 1.124 53.169 52.037 0.012 0.000 0.804 34 A CB -0.804 18.185 19.000 -0.019 0.000 0.823 34 A HN 1.823 nan 8.150 nan 0.000 0.482 35 G N -2.024 106.822 108.800 0.077 0.000 2.131 35 G HA2 0.136 4.095 3.960 -0.001 0.000 0.223 35 G HA3 0.136 4.095 3.960 -0.001 0.000 0.223 35 G C 0.315 175.323 174.900 0.180 0.000 0.990 35 G CA 0.153 45.321 45.100 0.113 0.000 0.671 35 G HN 1.524 nan 8.290 nan 0.000 0.521 36 A N -0.280 122.669 122.820 0.215 0.000 2.401 36 A HA 0.749 5.068 4.320 -0.001 0.000 0.259 36 A C 0.158 177.990 177.584 0.413 0.000 1.103 36 A CA 0.124 52.371 52.037 0.350 0.000 0.789 36 A CB 0.965 20.215 19.000 0.417 0.000 1.035 36 A HN 1.546 nan 8.150 nan 0.000 0.491 37 L N 1.539 123.005 121.223 0.406 0.000 2.309 37 L HA 0.461 4.801 4.340 -0.001 0.000 0.282 37 L C 0.298 177.319 176.870 0.253 0.000 1.036 37 L CA -0.307 54.727 54.840 0.323 0.000 0.806 37 L CB 1.453 43.654 42.059 0.238 0.000 1.220 37 L HN 0.804 nan 8.230 nan 0.000 0.429 38 E N 4.629 124.874 120.200 0.075 0.000 2.316 38 E HA 0.315 4.664 4.350 -0.001 0.000 0.275 38 E C -1.529 174.926 176.600 -0.242 0.000 1.029 38 E CA -0.369 55.769 56.400 -0.437 0.000 0.871 38 E CB 0.767 30.197 29.700 -0.449 0.000 1.022 38 E HN 0.532 nan 8.360 nan 0.000 0.418 39 L N 6.127 127.174 121.223 -0.292 0.000 2.476 39 L HA 0.372 4.711 4.340 -0.001 0.000 0.269 39 L C -1.719 175.039 176.870 -0.187 0.000 0.965 39 L CA -0.789 53.956 54.840 -0.158 0.000 0.845 39 L CB 1.703 43.721 42.059 -0.068 0.000 1.259 39 L HN 0.364 nan 8.230 nan 0.000 0.403 40 V N 3.861 123.685 119.914 -0.150 0.000 2.384 40 V HA 0.538 4.658 4.120 -0.001 0.000 0.287 40 V C 0.669 176.718 176.094 -0.074 0.000 1.020 40 V CA -0.468 61.754 62.300 -0.130 0.000 0.850 40 V CB 1.696 33.440 31.823 -0.132 0.000 0.987 40 V HN 0.878 nan 8.190 nan 0.000 0.436 41 T N 3.554 118.074 114.554 -0.056 0.000 2.902 41 T HA 0.625 4.974 4.350 -0.001 0.000 0.280 41 T C -2.404 172.272 174.700 -0.040 0.000 0.992 41 T CA -1.883 60.200 62.100 -0.028 0.000 1.015 41 T CB 1.290 70.155 68.868 -0.004 0.000 1.044 41 T HN 0.428 nan 8.240 nan 0.000 0.520 42 P HA 0.185 nan 4.420 nan 0.000 0.269 42 P C 1.009 178.236 177.300 -0.121 0.000 1.217 42 P CA -0.597 62.415 63.100 -0.146 0.000 0.783 42 P CB 0.306 31.893 31.700 -0.188 0.000 0.898 43 I N 0.451 120.884 120.570 -0.229 0.000 2.454 43 I HA -0.101 4.068 4.170 -0.001 0.000 0.254 43 I C 0.921 177.101 176.117 0.106 0.000 1.156 43 I CA 1.529 62.809 61.300 -0.034 0.000 1.433 43 I CB -1.137 36.828 38.000 -0.060 0.000 1.082 43 I HN 0.291 nan 8.210 nan 0.000 0.432 44 F N -0.246 119.815 119.950 0.186 0.000 2.599 44 F HA 0.778 5.304 4.527 -0.001 0.000 0.311 44 F C -0.320 175.577 175.800 0.162 0.000 1.076 44 F CA -1.500 56.621 58.000 0.202 0.000 0.937 44 F CB 1.042 40.142 39.000 0.167 0.000 1.282 44 F HN -0.222 nan 8.300 nan 0.000 0.460 45 E N 0.140 120.626 120.200 0.477 0.000 2.423 45 E HA 0.257 4.607 4.350 -0.001 0.000 0.269 45 E C -1.269 175.386 176.600 0.092 0.000 0.948 45 E CA -1.036 55.476 56.400 0.186 0.000 0.802 45 E CB 2.094 31.721 29.700 -0.122 0.000 1.339 45 E HN 0.748 nan 8.360 nan 0.000 0.445 46 E N 0.741 120.925 120.200 -0.027 0.000 2.415 46 E HA -0.038 4.311 4.350 -0.001 0.000 0.263 46 E C 0.845 177.406 176.600 -0.066 0.000 0.995 46 E CA 0.231 56.594 56.400 -0.061 0.000 0.915 46 E CB 0.592 30.247 29.700 -0.074 0.000 0.951 46 E HN 0.428 nan 8.360 nan 0.000 0.449 47 T N 3.248 117.780 114.554 -0.037 0.000 2.714 47 T HA -0.314 4.036 4.350 -0.001 0.000 0.268 47 T C 1.828 176.538 174.700 0.017 0.000 1.036 47 T CA 2.390 64.508 62.100 0.030 0.000 1.148 47 T CB -0.081 68.776 68.868 -0.019 0.000 0.856 47 T HN 0.654 nan 8.240 nan 0.000 0.462 48 Q N 0.038 119.811 119.800 -0.044 0.000 2.096 48 Q HA -0.078 4.261 4.340 -0.001 0.000 0.204 48 Q C 2.191 178.131 176.000 -0.100 0.000 0.982 48 Q CA 1.932 57.703 55.803 -0.053 0.000 0.850 48 Q CB -0.775 27.928 28.738 -0.058 0.000 0.901 48 Q HN 0.443 nan 8.270 nan 0.000 0.422 49 V N 0.452 120.235 119.914 -0.219 0.000 2.380 49 V HA -0.256 3.863 4.120 -0.001 0.000 0.251 49 V C 1.868 177.734 176.094 -0.380 0.000 1.063 49 V CA 1.978 64.054 62.300 -0.372 0.000 1.055 49 V CB -0.717 30.739 31.823 -0.612 0.000 0.657 49 V HN 0.341 nan 8.190 nan 0.000 0.455 50 F N -0.130 119.816 119.950 -0.006 0.000 2.387 50 F HA 0.095 4.621 4.527 -0.001 0.000 0.294 50 F C 2.320 178.107 175.800 -0.020 0.000 1.093 50 F CA 0.518 58.513 58.000 -0.007 0.000 1.420 50 F CB -0.571 38.427 39.000 -0.004 0.000 1.086 50 F HN 0.143 nan 8.300 nan 0.000 0.531 51 E N 0.807 121.082 120.200 0.124 0.000 2.017 51 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 51 E C 2.042 178.661 176.600 0.031 0.000 0.997 51 E CA 1.461 57.897 56.400 0.060 0.000 0.804 51 E CB -0.188 29.530 29.700 0.030 0.000 0.757 51 E HN 0.360 nan 8.360 nan 0.000 0.448 52 K N 0.215 120.621 120.400 0.012 0.000 2.025 52 K HA -0.079 4.240 4.320 -0.001 0.000 0.207 52 K C 2.248 178.862 176.600 0.024 0.000 1.049 52 K CA 1.114 57.405 56.287 0.006 0.000 0.933 52 K CB -0.305 32.187 32.500 -0.014 0.000 0.714 52 K HN 0.141 nan 8.250 nan 0.000 0.438 53 G N 1.065 109.884 108.800 0.032 0.000 2.484 53 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 53 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 53 G C 1.546 176.533 174.900 0.144 0.000 1.219 53 G CA 0.848 46.006 45.100 0.096 0.000 0.791 53 G HN 0.106 nan 8.290 nan 0.000 0.550 54 V N 0.967 120.922 119.914 0.068 0.000 2.759 54 V HA 0.300 4.419 4.120 -0.001 0.000 0.256 54 V C 1.420 177.436 176.094 -0.130 0.000 1.080 54 V CA 0.872 63.093 62.300 -0.131 0.000 1.101 54 V CB -1.435 30.345 31.823 -0.072 0.000 0.698 54 V HN 1.131 nan 8.190 nan 0.000 0.477 55 G N -0.387 108.392 108.800 -0.034 0.000 3.421 55 G HA2 0.161 4.121 3.960 -0.001 0.000 0.686 55 G HA3 0.161 4.121 3.960 -0.001 0.000 0.686 55 G C 0.288 175.176 174.900 -0.021 0.000 1.056 55 G CA -0.222 44.862 45.100 -0.026 0.000 0.891 55 G HN 0.734 nan 8.290 nan 0.000 0.514 56 A N 1.162 123.978 122.820 -0.007 0.000 2.272 56 A HA 0.347 4.666 4.320 -0.001 0.000 0.213 56 A C 2.403 179.980 177.584 -0.012 0.000 1.183 56 A CA 2.397 54.431 52.037 -0.006 0.000 0.719 56 A CB -0.137 18.862 19.000 -0.002 0.000 0.771 56 A HN 2.365 nan 8.150 nan 0.000 0.484 57 A N -1.659 121.151 122.820 -0.016 0.000 2.252 57 A HA 0.324 4.643 4.320 -0.001 0.000 0.213 57 A C 1.285 178.854 177.584 -0.024 0.000 1.188 57 A CA 0.845 52.872 52.037 -0.016 0.000 0.863 57 A CB -0.301 18.694 19.000 -0.010 0.000 0.893 57 A HN 0.362 nan 8.150 nan 0.000 0.495 58 T N -0.387 114.146 114.554 -0.035 0.000 2.899 58 T HA 0.218 4.567 4.350 -0.001 0.000 0.295 58 T C 0.716 175.391 174.700 -0.042 0.000 1.033 58 T CA 0.138 62.211 62.100 -0.045 0.000 1.084 58 T CB 0.529 69.353 68.868 -0.074 0.000 0.979 58 T HN 0.297 nan 8.240 nan 0.000 0.532 59 D N 2.617 122.992 120.400 -0.042 0.000 2.123 59 D HA -0.080 4.560 4.640 -0.001 0.000 0.196 59 D C 1.973 178.240 176.300 -0.054 0.000 0.992 59 D CA 1.307 55.281 54.000 -0.042 0.000 0.833 59 D CB -0.198 40.579 40.800 -0.039 0.000 0.954 59 D HN 0.592 nan 8.370 nan 0.000 0.455 60 I N 0.227 120.759 120.570 -0.062 0.000 2.069 60 I HA -0.293 3.876 4.170 -0.001 0.000 0.237 60 I C 2.310 178.384 176.117 -0.072 0.000 1.053 60 I CA 0.970 62.225 61.300 -0.075 0.000 1.311 60 I CB -0.519 37.433 38.000 -0.081 0.000 1.030 60 I HN -0.040 nan 8.210 nan 0.000 0.398 61 V N 0.643 120.526 119.914 -0.052 0.000 2.295 61 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 61 V C 2.546 178.622 176.094 -0.031 0.000 1.049 61 V CA 1.852 64.135 62.300 -0.028 0.000 1.024 61 V CB -0.785 31.032 31.823 -0.009 0.000 0.648 61 V HN 0.355 nan 8.190 nan 0.000 0.447 62 R N 0.661 121.141 120.500 -0.033 0.000 2.115 62 R HA -0.097 4.242 4.340 -0.001 0.000 0.230 62 R C 1.594 177.872 176.300 -0.036 0.000 1.111 62 R CA 1.530 57.612 56.100 -0.029 0.000 0.976 62 R CB -0.033 30.252 30.300 -0.026 0.000 0.870 62 R HN 0.689 nan 8.270 nan 0.000 0.445 63 K N -1.620 118.749 120.400 -0.052 0.000 2.646 63 K HA 0.155 4.475 4.320 -0.001 0.000 0.177 63 K C -0.177 176.363 176.600 -0.100 0.000 1.222 63 K CA -0.105 56.146 56.287 -0.061 0.000 1.138 63 K CB 0.616 33.090 32.500 -0.044 0.000 0.955 63 K HN -0.080 nan 8.250 nan 0.000 0.524 64 E N 1.406 121.530 120.200 -0.127 0.000 2.812 64 E HA 0.297 4.646 4.350 -0.001 0.000 0.211 64 E C -0.693 175.738 176.600 -0.282 0.000 0.986 64 E CA -0.201 56.080 56.400 -0.198 0.000 1.119 64 E CB 0.729 30.348 29.700 -0.135 0.000 1.046 64 E HN 0.254 nan 8.360 nan 0.000 0.474 65 M N 1.061 120.523 119.600 -0.230 0.000 2.149 65 M HA 0.337 4.816 4.480 -0.001 0.000 0.342 65 M C -0.775 175.434 176.300 -0.152 0.000 1.068 65 M CA -0.752 54.431 55.300 -0.194 0.000 0.991 65 M CB 0.976 33.519 32.600 -0.095 0.000 1.596 65 M HN -0.042 nan 8.290 nan 0.000 0.439 66 F N 1.862 121.835 119.950 0.039 0.000 2.541 66 F HA 0.170 4.696 4.527 -0.001 0.000 0.347 66 F C 1.073 176.925 175.800 0.086 0.000 1.242 66 F CA 0.052 58.097 58.000 0.074 0.000 1.123 66 F CB -0.092 38.954 39.000 0.077 0.000 1.354 66 F HN 0.365 nan 8.300 nan 0.000 0.621 67 T N 4.927 119.604 114.554 0.204 0.000 2.855 67 T HA 0.750 5.099 4.350 -0.001 0.000 0.281 67 T C -0.691 174.076 174.700 0.112 0.000 1.007 67 T CA -0.374 61.750 62.100 0.040 0.000 1.009 67 T CB 0.544 69.401 68.868 -0.019 0.000 0.983 67 T HN 0.293 nan 8.240 nan 0.000 0.455 68 F N 0.932 120.876 119.950 -0.009 0.000 2.685 68 F HA 0.657 5.183 4.527 -0.001 0.000 0.315 68 F C -0.786 174.973 175.800 -0.069 0.000 1.126 68 F CA -1.347 56.629 58.000 -0.041 0.000 0.950 68 F CB 1.439 40.397 39.000 -0.070 0.000 1.360 68 F HN 0.472 nan 8.300 nan 0.000 0.469 69 Q N 1.339 121.241 119.800 0.170 0.000 2.256 69 Q HA 0.254 4.593 4.340 -0.001 0.000 0.257 69 Q C -1.409 174.669 176.000 0.131 0.000 0.936 69 Q CA -0.895 54.940 55.803 0.052 0.000 0.903 69 Q CB 1.825 30.581 28.738 0.031 0.000 1.263 69 Q HN 0.790 nan 8.270 nan 0.000 0.440 70 D N 1.789 122.206 120.400 0.028 0.000 2.382 70 D HA -0.004 4.635 4.640 -0.001 0.000 0.245 70 D C -0.490 175.823 176.300 0.022 0.000 1.120 70 D CA -0.242 53.777 54.000 0.031 0.000 0.890 70 D CB 0.808 41.590 40.800 -0.029 0.000 1.201 70 D HN 0.235 nan 8.370 nan 0.000 0.433 71 R N 3.024 123.534 120.500 0.017 0.000 2.561 71 R HA 0.331 4.670 4.340 -0.001 0.000 0.347 71 R C 1.136 177.438 176.300 0.003 0.000 0.916 71 R CA 0.919 57.023 56.100 0.007 0.000 1.063 71 R CB -0.668 29.633 30.300 0.001 0.000 0.916 71 R HN 0.806 nan 8.270 nan 0.000 0.410 72 G N 1.306 110.107 108.800 0.001 0.000 3.047 72 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.203 72 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.203 72 G C 0.295 175.192 174.900 -0.004 0.000 1.444 72 G CA -0.093 45.006 45.100 -0.002 0.000 1.020 72 G HN 0.993 nan 8.290 nan 0.000 0.563 73 G N -1.288 107.507 108.800 -0.008 0.000 2.561 73 G HA2 0.722 4.681 3.960 -0.001 0.000 0.310 73 G HA3 0.722 4.681 3.960 -0.001 0.000 0.310 73 G C -0.578 174.306 174.900 -0.027 0.000 1.292 73 G CA 0.418 45.509 45.100 -0.015 0.000 0.811 73 G HN 1.252 nan 8.290 nan 0.000 0.482 74 R N -1.723 118.756 120.500 -0.036 0.000 1.134 74 R HA -0.082 4.257 4.340 -0.001 0.000 0.422 74 R C -0.665 175.582 176.300 -0.089 0.000 1.353 74 R CA 0.643 56.710 56.100 -0.055 0.000 1.224 74 R CB -1.089 29.180 30.300 -0.053 0.000 3.509 74 R HN 0.790 nan 8.270 nan 0.000 0.499 75 S N 2.643 118.279 115.700 -0.106 0.000 2.442 75 S HA 0.642 5.112 4.470 -0.001 0.000 0.297 75 S C -0.702 173.756 174.600 -0.236 0.000 1.131 75 S CA -0.814 57.291 58.200 -0.159 0.000 1.092 75 S CB 0.691 63.829 63.200 -0.103 0.000 0.998 75 S HN 0.304 nan 8.310 nan 0.000 0.478 76 L N 3.833 124.775 121.223 -0.468 0.000 2.333 76 L HA 0.693 5.032 4.340 -0.001 0.000 0.269 76 L C 0.183 176.651 176.870 -0.670 0.000 1.010 76 L CA -0.167 54.324 54.840 -0.581 0.000 0.818 76 L CB 2.040 43.560 42.059 -0.899 0.000 1.306 76 L HN 0.631 nan 8.230 nan 0.000 0.430 77 T N 1.826 116.235 114.554 -0.242 0.000 2.916 77 T HA 0.471 4.820 4.350 -0.001 0.000 0.298 77 T C -0.819 173.997 174.700 0.192 0.000 1.031 77 T CA -0.553 61.522 62.100 -0.043 0.000 0.993 77 T CB 1.587 70.531 68.868 0.128 0.000 1.045 77 T HN 0.127 nan 8.240 nan 0.000 0.454 78 L N 3.804 125.158 121.223 0.219 0.000 2.500 78 L HA 0.226 4.566 4.340 -0.001 0.000 0.272 78 L C 1.244 178.234 176.870 0.199 0.000 1.149 78 L CA 0.057 55.069 54.840 0.286 0.000 0.897 78 L CB -0.010 42.160 42.059 0.186 0.000 1.178 78 L HN 0.525 nan 8.230 nan 0.000 0.473 79 R N 7.959 128.596 120.500 0.227 0.000 2.614 79 R HA -0.068 4.272 4.340 -0.001 0.000 0.335 79 R C -1.921 174.259 176.300 -0.200 0.000 0.859 79 R CA -0.278 55.755 56.100 -0.112 0.000 1.123 79 R CB 0.354 30.771 30.300 0.195 0.000 0.887 79 R HN 0.442 nan 8.270 nan 0.000 0.407 80 P HA 0.076 nan 4.420 nan 0.000 0.245 80 P C -0.308 176.906 177.300 -0.143 0.000 1.199 80 P CA 0.592 63.539 63.100 -0.256 0.000 0.807 80 P CB 0.544 32.069 31.700 -0.291 0.000 1.002 81 E N -0.835 119.278 120.200 -0.145 0.000 2.388 81 E HA 0.314 4.663 4.350 -0.001 0.000 0.280 81 E C -0.260 176.394 176.600 0.090 0.000 1.019 81 E CA -0.479 55.927 56.400 0.009 0.000 0.806 81 E CB 0.921 30.649 29.700 0.046 0.000 1.246 81 E HN -0.114 nan 8.360 nan 0.000 0.443 82 G N 1.097 109.933 108.800 0.060 0.000 2.492 82 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.214 82 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.214 82 G C 1.049 175.954 174.900 0.007 0.000 1.147 82 G CA 1.211 46.339 45.100 0.046 0.000 0.809 82 G HN 0.573 nan 8.290 nan 0.000 0.533 83 T N 2.321 116.843 114.554 -0.053 0.000 2.592 83 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 83 T C 2.786 177.330 174.700 -0.259 0.000 1.060 83 T CA 2.070 64.008 62.100 -0.269 0.000 1.167 83 T CB -0.666 67.865 68.868 -0.562 0.000 0.863 83 T HN 0.371 nan 8.240 nan 0.000 0.431 84 A N 1.690 124.449 122.820 -0.102 0.000 1.892 84 A HA -0.007 4.312 4.320 -0.001 0.000 0.218 84 A C 2.707 180.218 177.584 -0.123 0.000 1.188 84 A CA 2.390 54.371 52.037 -0.094 0.000 0.631 84 A CB -1.318 17.706 19.000 0.041 0.000 0.822 84 A HN 0.599 nan 8.150 nan 0.000 0.447 85 A N -0.973 121.814 122.820 -0.056 0.000 1.877 85 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 85 A C 2.203 179.754 177.584 -0.055 0.000 1.186 85 A CA 2.004 54.005 52.037 -0.061 0.000 0.620 85 A CB -0.508 18.516 19.000 0.040 0.000 0.822 85 A HN 0.458 nan 8.150 nan 0.000 0.443 86 M N -0.345 119.219 119.600 -0.059 0.000 2.149 86 M HA -0.120 4.359 4.480 -0.001 0.000 0.261 86 M C 2.186 178.469 176.300 -0.028 0.000 1.064 86 M CA 1.313 56.585 55.300 -0.047 0.000 1.102 86 M CB -1.218 31.335 32.600 -0.078 0.000 1.369 86 M HN 0.267 nan 8.290 nan 0.000 0.408 87 V N -0.143 119.723 119.914 -0.081 0.000 2.379 87 V HA -0.196 3.924 4.120 -0.001 0.000 0.245 87 V C 2.645 178.731 176.094 -0.013 0.000 1.044 87 V CA 1.388 63.652 62.300 -0.061 0.000 1.036 87 V CB -0.805 30.943 31.823 -0.126 0.000 0.664 87 V HN 0.427 nan 8.190 nan 0.000 0.453 88 R N 0.841 121.305 120.500 -0.060 0.000 2.091 88 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 88 R C 2.250 178.518 176.300 -0.053 0.000 1.136 88 R CA 2.033 58.089 56.100 -0.073 0.000 0.959 88 R CB -0.660 29.568 30.300 -0.119 0.000 0.856 88 R HN 0.472 nan 8.270 nan 0.000 0.437 89 A N -0.040 122.771 122.820 -0.016 0.000 1.877 89 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 89 A C 2.143 179.751 177.584 0.041 0.000 1.186 89 A CA 1.372 53.431 52.037 0.038 0.000 0.620 89 A CB -0.976 18.084 19.000 0.099 0.000 0.822 89 A HN 0.548 nan 8.150 nan 0.000 0.443 90 Y N 0.180 120.420 120.300 -0.099 0.000 2.114 90 Y HA -0.243 4.307 4.550 -0.001 0.000 0.282 90 Y C 1.952 177.747 175.900 -0.176 0.000 1.165 90 Y CA 2.020 60.018 58.100 -0.170 0.000 1.148 90 Y CB -0.315 38.056 38.460 -0.149 0.000 0.972 90 Y HN 0.218 nan 8.280 nan 0.000 0.504 91 L N 0.686 121.953 121.223 0.074 0.000 1.994 91 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 91 L C 2.559 179.342 176.870 -0.145 0.000 1.071 91 L CA 2.306 57.136 54.840 -0.016 0.000 0.745 91 L CB -1.422 40.638 42.059 0.000 0.000 0.892 91 L HN 0.368 nan 8.230 nan 0.000 0.431 92 E N -1.011 119.073 120.200 -0.193 0.000 2.070 92 E HA -0.256 4.094 4.350 -0.001 0.000 0.197 92 E C 1.661 178.030 176.600 -0.384 0.000 1.004 92 E CA 1.422 57.635 56.400 -0.310 0.000 0.805 92 E CB -0.053 29.391 29.700 -0.427 0.000 0.744 92 E HN 0.579 nan 8.360 nan 0.000 0.451 93 H N -1.017 117.947 119.070 -0.177 0.000 2.543 93 H HA 0.137 4.692 4.556 -0.001 0.000 0.269 93 H C 1.015 176.178 175.328 -0.275 0.000 1.005 93 H CA 0.731 56.667 56.048 -0.188 0.000 1.146 93 H CB 0.357 30.003 29.762 -0.195 0.000 1.353 93 H HN 0.412 nan 8.280 nan 0.000 0.595 94 G N 1.684 110.335 108.800 -0.250 0.000 2.341 94 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.292 94 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.292 94 G C 1.186 175.770 174.900 -0.527 0.000 1.021 94 G CA 0.622 45.554 45.100 -0.281 0.000 0.905 94 G HN 0.405 nan 8.290 nan 0.000 0.508 95 M N -0.457 118.547 119.600 -0.993 0.000 2.539 95 M HA -0.085 4.394 4.480 -0.001 0.000 0.261 95 M C 2.600 178.199 176.300 -1.168 0.000 1.069 95 M CA 2.022 56.333 55.300 -1.650 0.000 1.081 95 M CB -0.301 31.150 32.600 -1.914 0.000 1.412 95 M HN 0.645 nan 8.290 nan 0.000 0.482 96 K N 0.574 120.453 120.400 -0.869 0.000 2.442 96 K HA -0.091 4.228 4.320 -0.001 0.000 0.199 96 K C 1.282 177.838 176.600 -0.072 0.000 1.044 96 K CA 1.500 57.646 56.287 -0.235 0.000 0.941 96 K CB -0.559 31.919 32.500 -0.036 0.000 0.759 96 K HN 0.445 nan 8.250 nan 0.000 0.472 97 V N -3.353 116.503 119.914 -0.096 0.000 3.621 97 V HA 0.226 4.345 4.120 -0.001 0.000 0.285 97 V C 0.123 176.362 176.094 0.242 0.000 1.346 97 V CA -0.927 61.419 62.300 0.076 0.000 1.104 97 V CB -0.690 31.182 31.823 0.083 0.000 0.913 97 V HN 0.194 nan 8.190 nan 0.000 0.432 98 W N 2.048 123.324 121.300 -0.041 0.000 2.183 98 W HA 0.532 5.191 4.660 -0.001 0.000 0.348 98 W C -2.121 174.410 176.519 0.020 0.000 1.257 98 W CA -2.808 54.528 57.345 -0.014 0.000 1.324 98 W CB -0.581 28.865 29.460 -0.023 0.000 1.144 98 W HN 0.032 nan 8.180 nan 0.000 0.622 99 P HA -0.046 nan 4.420 nan 0.000 0.267 99 P C -0.354 177.058 177.300 0.187 0.000 1.209 99 P CA 0.317 63.515 63.100 0.163 0.000 0.763 99 P CB 0.764 32.528 31.700 0.106 0.000 0.816 100 Q N 3.760 123.651 119.800 0.152 0.000 2.260 100 Q HA 0.388 4.727 4.340 -0.001 0.000 0.242 100 Q C -1.560 174.508 176.000 0.114 0.000 0.932 100 Q CA -1.520 54.371 55.803 0.146 0.000 0.891 100 Q CB -0.052 28.759 28.738 0.122 0.000 1.222 100 Q HN 0.486 nan 8.270 nan 0.000 0.453 101 P HA 0.264 nan 4.420 nan 0.000 0.281 101 P C -0.794 176.607 177.300 0.168 0.000 1.249 101 P CA -0.509 62.663 63.100 0.120 0.000 0.810 101 P CB 0.911 32.663 31.700 0.086 0.000 1.008 102 V N 3.449 123.482 119.914 0.199 0.000 2.348 102 V HA 0.249 4.368 4.120 -0.001 0.000 0.270 102 V C 0.897 177.097 176.094 0.177 0.000 1.037 102 V CA -0.429 62.025 62.300 0.256 0.000 0.872 102 V CB 0.012 32.043 31.823 0.345 0.000 1.002 102 V HN 0.467 nan 8.190 nan 0.000 0.464 103 R N 5.538 126.154 120.500 0.193 0.000 2.265 103 R HA 0.733 5.072 4.340 -0.001 0.000 0.319 103 R C -1.027 175.391 176.300 0.196 0.000 1.006 103 R CA -0.415 55.779 56.100 0.157 0.000 0.880 103 R CB 1.185 31.655 30.300 0.284 0.000 1.077 103 R HN 0.580 nan 8.270 nan 0.000 0.454 104 L N 3.547 124.831 121.223 0.102 0.000 2.370 104 L HA 0.659 4.998 4.340 -0.001 0.000 0.266 104 L C -0.689 176.312 176.870 0.218 0.000 1.002 104 L CA -0.942 53.989 54.840 0.152 0.000 0.818 104 L CB 1.788 43.886 42.059 0.064 0.000 1.325 104 L HN 0.678 nan 8.230 nan 0.000 0.418 105 W N 3.652 124.987 121.300 0.058 0.000 3.075 105 W HA 0.798 5.458 4.660 -0.001 0.000 0.334 105 W C -1.648 174.885 176.519 0.024 0.000 1.243 105 W CA -1.040 56.336 57.345 0.052 0.000 1.170 105 W CB 1.841 31.382 29.460 0.135 0.000 1.452 105 W HN 0.662 nan 8.180 nan 0.000 0.572 106 M N 1.854 121.316 119.600 -0.229 0.000 3.069 106 M HA 0.801 5.280 4.480 -0.001 0.000 0.274 106 M C -2.151 174.063 176.300 -0.143 0.000 1.146 106 M CA -0.668 54.286 55.300 -0.576 0.000 0.807 106 M CB 1.753 34.140 32.600 -0.355 0.000 1.621 106 M HN 0.853 nan 8.290 nan 0.000 0.521 107 A N 0.444 123.172 122.820 -0.154 0.000 2.408 107 A HA 0.985 5.305 4.320 -0.001 0.000 0.295 107 A C -0.563 177.006 177.584 -0.024 0.000 1.040 107 A CA 0.098 52.131 52.037 -0.007 0.000 0.707 107 A CB 1.456 20.527 19.000 0.118 0.000 1.235 107 A HN 1.730 nan 8.150 nan 0.000 0.418 108 G N 1.332 110.126 108.800 -0.010 0.000 2.548 108 G HA2 0.782 4.742 3.960 -0.001 0.000 0.301 108 G HA3 0.782 4.742 3.960 -0.001 0.000 0.301 108 G C -3.496 171.352 174.900 -0.087 0.000 1.349 108 G CA -0.847 44.256 45.100 0.004 0.000 0.792 108 G HN 0.552 nan 8.290 nan 0.000 0.481 109 P HA 0.494 nan 4.420 nan 0.000 0.282 109 P C -0.937 175.715 177.300 -1.081 0.000 1.249 109 P CA -0.259 62.372 63.100 -0.782 0.000 0.806 109 P CB 1.593 32.910 31.700 -0.639 0.000 0.984 110 M N 2.318 121.011 119.600 -1.512 0.000 2.530 110 M HA 0.470 4.949 4.480 -0.001 0.000 0.307 110 M C -0.805 174.427 176.300 -1.779 0.000 1.161 110 M CA -0.523 53.858 55.300 -1.531 0.000 0.903 110 M CB 1.572 33.399 32.600 -1.288 0.000 1.711 110 M HN 0.217 nan 8.290 nan 0.000 0.451 111 F N 1.036 120.766 119.950 -0.367 0.000 2.477 111 F HA 0.657 5.183 4.527 -0.001 0.000 0.335 111 F C -0.054 175.809 175.800 0.105 0.000 1.130 111 F CA -0.774 57.218 58.000 -0.013 0.000 0.948 111 F CB 1.448 40.570 39.000 0.203 0.000 1.154 111 F HN 0.425 nan 8.300 nan 0.000 0.439 112 R N 1.560 122.269 120.500 0.347 0.000 2.476 112 R HA 0.677 5.017 4.340 -0.001 0.000 0.305 112 R C -0.384 175.849 176.300 -0.113 0.000 0.965 112 R CA -0.614 55.549 56.100 0.105 0.000 0.867 112 R CB 1.817 32.257 30.300 0.235 0.000 1.176 112 R HN 0.776 nan 8.270 nan 0.000 0.447 113 A N 4.526 126.948 122.820 -0.662 0.000 3.051 113 A HA 0.079 4.399 4.320 -0.001 0.000 0.257 113 A C -0.181 177.264 177.584 -0.232 0.000 1.785 113 A CA -0.035 51.530 52.037 -0.787 0.000 1.420 113 A CB -0.703 17.600 19.000 -1.161 0.000 1.063 113 A HN 0.727 nan 8.150 nan 0.000 0.630 114 E N 0.240 120.406 120.200 -0.056 0.000 2.277 114 E HA 0.483 4.833 4.350 -0.001 0.000 0.266 114 E C -0.863 175.768 176.600 0.051 0.000 0.901 114 E CA -1.193 55.202 56.400 -0.009 0.000 0.782 114 E CB 1.086 30.778 29.700 -0.013 0.000 1.228 114 E HN 0.383 nan 8.360 nan 0.000 0.424 115 R N 2.178 122.703 120.500 0.041 0.000 2.446 115 R HA 0.147 4.487 4.340 -0.001 0.000 0.314 115 R C -2.027 174.317 176.300 0.073 0.000 1.003 115 R CA -1.157 54.979 56.100 0.060 0.000 1.018 115 R CB -0.525 29.799 30.300 0.041 0.000 0.945 115 R HN 0.394 nan 8.270 nan 0.000 0.419 116 P HA -0.004 nan 4.420 nan 0.000 0.272 116 P C -0.817 176.547 177.300 0.106 0.000 1.223 116 P CA -0.249 62.930 63.100 0.131 0.000 0.784 116 P CB 0.808 32.610 31.700 0.170 0.000 0.923 117 Q N -0.839 119.031 119.800 0.117 0.000 2.832 117 Q HA 0.397 4.736 4.340 -0.001 0.000 0.329 117 Q C -1.100 174.969 176.000 0.115 0.000 0.816 117 Q CA -1.231 54.628 55.803 0.094 0.000 0.804 117 Q CB 0.667 29.437 28.738 0.054 0.000 1.376 117 Q HN 0.040 nan 8.270 nan 0.000 0.503 118 K N 0.158 120.610 120.400 0.087 0.000 2.361 118 K HA 0.259 4.578 4.320 -0.001 0.000 0.283 118 K C 0.497 177.104 176.600 0.012 0.000 1.078 118 K CA 1.577 57.918 56.287 0.089 0.000 1.041 118 K CB -0.256 32.286 32.500 0.070 0.000 0.932 118 K HN 0.815 nan 8.250 nan 0.000 0.462 119 G N 3.490 112.253 108.800 -0.061 0.000 2.284 119 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 119 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 119 G C -0.045 174.584 174.900 -0.451 0.000 1.009 119 G CA -0.597 44.329 45.100 -0.289 0.000 0.625 119 G HN 0.555 nan 8.290 nan 0.000 0.501 120 R N 0.928 121.305 120.500 -0.205 0.000 2.233 120 R HA 0.551 4.891 4.340 -0.001 0.000 0.334 120 R C -0.860 175.518 176.300 0.131 0.000 1.037 120 R CA -0.466 55.552 56.100 -0.137 0.000 0.920 120 R CB 0.513 30.781 30.300 -0.052 0.000 1.137 120 R HN 0.232 nan 8.270 nan 0.000 0.492 121 Y N 0.760 121.092 120.300 0.054 0.000 2.453 121 Y HA 0.309 4.859 4.550 -0.001 0.000 0.326 121 Y C 1.523 177.587 175.900 0.273 0.000 1.186 121 Y CA -1.762 56.438 58.100 0.168 0.000 1.200 121 Y CB 1.015 39.608 38.460 0.222 0.000 1.247 121 Y HN 0.308 nan 8.280 nan 0.000 0.482 122 R N -0.119 120.652 120.500 0.451 0.000 2.161 122 R HA 0.012 4.351 4.340 -0.001 0.000 0.213 122 R C 0.045 176.637 176.300 0.487 0.000 1.055 122 R CA 0.670 57.047 56.100 0.461 0.000 0.996 122 R CB 0.369 30.930 30.300 0.434 0.000 0.901 122 R HN 0.617 nan 8.270 nan 0.000 0.456 123 Q N 0.510 120.539 119.800 0.383 0.000 2.320 123 Q HA 0.275 4.615 4.340 -0.001 0.000 0.268 123 Q C -1.495 174.596 176.000 0.152 0.000 1.023 123 Q CA -0.718 55.163 55.803 0.130 0.000 0.744 123 Q CB 1.024 29.858 28.738 0.161 0.000 1.246 123 Q HN 0.014 nan 8.270 nan 0.000 0.462 124 F N -0.116 119.764 119.950 -0.117 0.000 2.679 124 F HA 0.697 5.224 4.527 -0.001 0.000 0.341 124 F C -1.199 174.391 175.800 -0.350 0.000 1.095 124 F CA -1.175 56.807 58.000 -0.030 0.000 1.004 124 F CB 1.057 40.070 39.000 0.021 0.000 1.388 124 F HN 0.416 nan 8.300 nan 0.000 0.505 125 H N -0.411 118.754 119.070 0.158 0.000 2.600 125 H HA 0.555 5.111 4.556 -0.001 0.000 0.357 125 H C -1.229 174.123 175.328 0.040 0.000 1.106 125 H CA -0.795 55.254 56.048 0.002 0.000 1.193 125 H CB 1.942 31.733 29.762 0.048 0.000 1.594 125 H HN 0.687 nan 8.280 nan 0.000 0.526 126 Q N 0.962 120.793 119.800 0.052 0.000 2.379 126 Q HA 0.649 4.988 4.340 -0.001 0.000 0.278 126 Q C -1.699 174.190 176.000 -0.185 0.000 1.068 126 Q CA -1.197 54.569 55.803 -0.061 0.000 0.816 126 Q CB 2.185 30.947 28.738 0.039 0.000 1.387 126 Q HN 0.347 nan 8.270 nan 0.000 0.413 127 V N 2.308 121.929 119.914 -0.488 0.000 2.465 127 V HA 0.333 4.452 4.120 -0.001 0.000 0.279 127 V C -0.557 175.389 176.094 -0.246 0.000 1.045 127 V CA -0.413 61.661 62.300 -0.377 0.000 0.938 127 V CB 1.043 32.452 31.823 -0.691 0.000 0.986 127 V HN 0.866 nan 8.190 nan 0.000 0.467 128 N N 2.949 121.607 118.700 -0.069 0.000 2.354 128 N HA 0.494 5.233 4.740 -0.001 0.000 0.287 128 N C -1.537 173.941 175.510 -0.052 0.000 1.016 128 N CA -0.568 52.422 53.050 -0.101 0.000 0.871 128 N CB 1.426 39.875 38.487 -0.062 0.000 1.299 128 N HN 0.638 nan 8.380 nan 0.000 0.482 129 Y N 2.036 122.067 120.300 -0.447 0.000 2.446 129 Y HA 0.652 5.201 4.550 -0.001 0.000 0.345 129 Y C -1.099 174.729 175.900 -0.120 0.000 0.984 129 Y CA -0.643 57.265 58.100 -0.321 0.000 1.058 129 Y CB 1.635 39.689 38.460 -0.675 0.000 1.220 129 Y HN 0.495 nan 8.280 nan 0.000 0.455 130 E N 2.824 122.491 120.200 -0.889 0.000 2.331 130 E HA 0.784 5.133 4.350 -0.001 0.000 0.275 130 E C -1.771 174.421 176.600 -0.679 0.000 0.895 130 E CA -0.676 55.378 56.400 -0.577 0.000 0.753 130 E CB 2.113 31.691 29.700 -0.203 0.000 1.216 130 E HN 0.712 nan 8.360 nan 0.000 0.434 131 A N 3.840 126.457 122.820 -0.338 0.000 2.466 131 A HA 0.630 4.949 4.320 -0.001 0.000 0.291 131 A C -1.339 176.182 177.584 -0.104 0.000 1.234 131 A CA -0.503 51.444 52.037 -0.151 0.000 0.752 131 A CB 0.060 19.055 19.000 -0.009 0.000 1.153 131 A HN 0.464 nan 8.150 nan 0.000 0.458 132 L N 1.310 122.471 121.223 -0.103 0.000 2.334 132 L HA 0.791 5.131 4.340 -0.001 0.000 0.272 132 L C 1.271 178.048 176.870 -0.154 0.000 1.020 132 L CA 0.099 54.803 54.840 -0.227 0.000 0.812 132 L CB 1.853 43.623 42.059 -0.482 0.000 1.264 132 L HN 1.148 nan 8.230 nan 0.000 0.439 133 G N 0.866 109.542 108.800 -0.207 0.000 2.163 133 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.213 133 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.213 133 G C -0.016 174.868 174.900 -0.026 0.000 0.991 133 G CA 0.122 45.181 45.100 -0.068 0.000 0.653 133 G HN 0.712 nan 8.290 nan 0.000 0.518 134 S N -1.142 114.530 115.700 -0.047 0.000 2.537 134 S HA 0.582 5.051 4.470 -0.001 0.000 0.270 134 S C 0.299 174.892 174.600 -0.012 0.000 1.142 134 S CA 0.583 58.776 58.200 -0.011 0.000 0.870 134 S CB 1.881 65.093 63.200 0.020 0.000 1.112 134 S HN 0.421 nan 8.310 nan 0.000 0.466 135 E N 2.649 122.861 120.200 0.019 0.000 2.447 135 E HA 0.168 4.517 4.350 -0.001 0.000 0.195 135 E C 0.424 177.129 176.600 0.176 0.000 1.028 135 E CA 0.163 56.600 56.400 0.060 0.000 0.876 135 E CB 0.070 29.793 29.700 0.038 0.000 0.885 135 E HN 0.571 nan 8.360 nan 0.000 0.500 136 N N 2.201 120.963 118.700 0.104 0.000 2.374 136 N HA -0.068 4.671 4.740 -0.001 0.000 0.269 136 N C -1.654 173.894 175.510 0.063 0.000 1.310 136 N CA -0.593 52.504 53.050 0.078 0.000 0.877 136 N CB 1.056 39.568 38.487 0.041 0.000 1.096 136 N HN 0.105 nan 8.380 nan 0.000 0.484 137 P HA -0.145 nan 4.420 nan 0.000 0.226 137 P C 1.512 178.806 177.300 -0.010 0.000 1.146 137 P CA 0.883 63.838 63.100 -0.242 0.000 0.773 137 P CB 0.286 31.603 31.700 -0.638 0.000 0.772 138 I N -0.563 120.006 120.570 -0.002 0.000 2.252 138 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 138 I C 2.541 178.630 176.117 -0.048 0.000 1.102 138 I CA 1.142 62.371 61.300 -0.118 0.000 1.385 138 I CB -0.546 37.342 38.000 -0.187 0.000 1.064 138 I HN -0.108 nan 8.210 nan 0.000 0.414 139 L N 0.290 121.525 121.223 0.020 0.000 2.083 139 L HA -0.231 4.108 4.340 -0.001 0.000 0.209 139 L C 1.940 178.875 176.870 0.108 0.000 1.083 139 L CA 1.416 56.305 54.840 0.081 0.000 0.752 139 L CB -0.817 41.298 42.059 0.095 0.000 0.899 139 L HN 0.250 nan 8.230 nan 0.000 0.433 140 D N 0.461 120.914 120.400 0.088 0.000 2.117 140 D HA -0.144 4.495 4.640 -0.001 0.000 0.198 140 D C 2.283 178.553 176.300 -0.050 0.000 0.982 140 D CA 1.374 55.424 54.000 0.084 0.000 0.828 140 D CB -0.097 40.775 40.800 0.121 0.000 0.967 140 D HN 0.297 nan 8.370 nan 0.000 0.464 141 A N 0.678 123.466 122.820 -0.052 0.000 1.877 141 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 141 A C 2.100 179.607 177.584 -0.130 0.000 1.186 141 A CA 1.733 53.702 52.037 -0.113 0.000 0.620 141 A CB -0.703 18.283 19.000 -0.024 0.000 0.822 141 A HN 0.250 nan 8.150 nan 0.000 0.443 142 E N -0.087 120.075 120.200 -0.064 0.000 2.058 142 E HA -0.185 4.164 4.350 -0.001 0.000 0.194 142 E C 2.173 178.762 176.600 -0.018 0.000 0.997 142 E CA 1.256 57.635 56.400 -0.035 0.000 0.801 142 E CB -0.304 29.413 29.700 0.028 0.000 0.746 142 E HN 0.528 nan 8.360 nan 0.000 0.450 143 A N 0.499 123.378 122.820 0.099 0.000 1.873 143 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 143 A C 2.445 179.965 177.584 -0.106 0.000 1.193 143 A CA 1.965 54.165 52.037 0.272 0.000 0.629 143 A CB -0.942 18.357 19.000 0.498 0.000 0.826 143 A HN 0.248 nan 8.150 nan 0.000 0.447 144 V N -0.294 119.338 119.914 -0.469 0.000 2.343 144 V HA -0.241 3.879 4.120 -0.001 0.000 0.247 144 V C 2.563 178.455 176.094 -0.336 0.000 1.051 144 V CA 1.980 63.873 62.300 -0.678 0.000 1.036 144 V CB -0.942 30.425 31.823 -0.761 0.000 0.654 144 V HN 0.389 nan 8.190 nan 0.000 0.451 145 V N -0.196 119.581 119.914 -0.229 0.000 2.295 145 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 145 V C 2.334 178.372 176.094 -0.094 0.000 1.049 145 V CA 1.910 64.141 62.300 -0.115 0.000 1.024 145 V CB -0.633 31.134 31.823 -0.093 0.000 0.648 145 V HN 0.426 nan 8.190 nan 0.000 0.447 146 L N -0.675 120.456 121.223 -0.154 0.000 2.012 146 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 146 L C 2.527 179.243 176.870 -0.257 0.000 1.073 146 L CA 1.490 56.235 54.840 -0.158 0.000 0.748 146 L CB -0.706 41.261 42.059 -0.154 0.000 0.891 146 L HN 0.353 nan 8.230 nan 0.000 0.431 147 L N -0.828 120.005 121.223 -0.650 0.000 2.012 147 L HA -0.285 4.054 4.340 -0.001 0.000 0.210 147 L C 2.490 179.154 176.870 -0.344 0.000 1.073 147 L CA 1.855 56.185 54.840 -0.850 0.000 0.748 147 L CB -0.922 40.477 42.059 -1.101 0.000 0.891 147 L HN 0.176 nan 8.230 nan 0.000 0.431 148 Y N 0.456 120.562 120.300 -0.324 0.000 2.128 148 Y HA -0.236 4.313 4.550 -0.001 0.000 0.284 148 Y C 2.508 178.294 175.900 -0.189 0.000 1.154 148 Y CA 2.155 60.128 58.100 -0.211 0.000 1.149 148 Y CB -0.134 38.229 38.460 -0.162 0.000 0.976 148 Y HN 0.298 nan 8.280 nan 0.000 0.505 149 E N -0.591 119.516 120.200 -0.155 0.000 2.077 149 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 149 E C 2.471 178.931 176.600 -0.233 0.000 0.989 149 E CA 1.335 57.619 56.400 -0.194 0.000 0.800 149 E CB -0.915 28.728 29.700 -0.095 0.000 0.746 149 E HN 0.536 nan 8.360 nan 0.000 0.452 150 C N 0.620 119.792 119.300 -0.212 0.000 2.398 150 C HA -0.138 4.321 4.460 -0.001 0.000 0.276 150 C C 2.818 177.613 174.990 -0.325 0.000 1.222 150 C CA 0.650 59.545 59.018 -0.206 0.000 1.746 150 C CB -1.233 26.433 27.740 -0.123 0.000 2.039 150 C HN 0.359 nan 8.230 nan 0.000 0.470 151 L N 0.219 121.186 121.223 -0.427 0.000 2.156 151 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 151 L C 2.539 179.179 176.870 -0.384 0.000 1.095 151 L CA 1.085 55.665 54.840 -0.433 0.000 0.770 151 L CB -0.619 41.187 42.059 -0.423 0.000 0.914 151 L HN 0.198 nan 8.230 nan 0.000 0.439 152 K N 0.461 120.602 120.400 -0.431 0.000 2.025 152 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 152 K C 2.102 178.545 176.600 -0.262 0.000 1.049 152 K CA 1.189 57.240 56.287 -0.394 0.000 0.933 152 K CB -0.043 32.160 32.500 -0.495 0.000 0.714 152 K HN 0.099 nan 8.250 nan 0.000 0.438 153 E N 0.420 120.482 120.200 -0.228 0.000 2.160 153 E HA -0.169 4.181 4.350 -0.001 0.000 0.195 153 E C 1.872 178.361 176.600 -0.184 0.000 0.991 153 E CA 0.958 57.258 56.400 -0.166 0.000 0.810 153 E CB -0.142 29.476 29.700 -0.137 0.000 0.742 153 E HN 0.351 nan 8.360 nan 0.000 0.466 154 L N -0.519 120.555 121.223 -0.247 0.000 2.456 154 L HA -0.063 4.276 4.340 -0.001 0.000 0.224 154 L C 1.652 178.228 176.870 -0.490 0.000 1.148 154 L CA 0.819 55.470 54.840 -0.314 0.000 0.825 154 L CB -0.278 41.582 42.059 -0.331 0.000 0.937 154 L HN 0.298 nan 8.230 nan 0.000 0.450 155 G N -0.531 108.040 108.800 -0.382 0.000 2.201 155 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.212 155 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.212 155 G C 0.251 174.997 174.900 -0.257 0.000 0.994 155 G CA -0.482 44.414 45.100 -0.341 0.000 0.644 155 G HN 0.145 nan 8.290 nan 0.000 0.508 156 L N 0.659 121.688 121.223 -0.323 0.000 2.490 156 L HA 0.364 4.703 4.340 -0.001 0.000 0.274 156 L C 1.813 178.653 176.870 -0.050 0.000 1.201 156 L CA -0.153 54.604 54.840 -0.138 0.000 0.869 156 L CB 0.576 42.527 42.059 -0.181 0.000 1.123 156 L HN 0.138 nan 8.230 nan 0.000 0.484 157 R N 1.934 122.469 120.500 0.059 0.000 2.243 157 R HA 0.129 4.468 4.340 -0.001 0.000 0.193 157 R C 0.539 176.870 176.300 0.052 0.000 0.933 157 R CA 0.095 56.221 56.100 0.045 0.000 1.105 157 R CB 0.205 30.549 30.300 0.074 0.000 1.169 157 R HN 0.446 nan 8.270 nan 0.000 0.599 158 R N 1.906 122.450 120.500 0.073 0.000 4.164 158 R HA 0.219 4.559 4.340 -0.001 0.000 0.195 158 R C -0.571 175.719 176.300 -0.016 0.000 1.712 158 R CA 0.123 56.219 56.100 -0.007 0.000 1.457 158 R CB -0.054 30.185 30.300 -0.101 0.000 1.387 158 R HN -0.144 nan 8.270 nan 0.000 0.785 159 L N 0.831 122.093 121.223 0.064 0.000 2.334 159 L HA 0.517 4.857 4.340 -0.001 0.000 0.270 159 L C 0.176 177.116 176.870 0.117 0.000 1.018 159 L CA -0.763 54.144 54.840 0.113 0.000 0.811 159 L CB 1.269 43.403 42.059 0.124 0.000 1.271 159 L HN 0.173 nan 8.230 nan 0.000 0.443 160 K N 1.941 122.424 120.400 0.139 0.000 2.621 160 K HA 0.394 4.713 4.320 -0.001 0.000 0.233 160 K C -1.019 175.686 176.600 0.175 0.000 0.972 160 K CA -0.464 55.896 56.287 0.122 0.000 0.988 160 K CB 1.849 34.392 32.500 0.072 0.000 1.187 160 K HN 0.253 nan 8.250 nan 0.000 0.471 161 V N 3.003 123.013 119.914 0.161 0.000 2.614 161 V HA 0.218 4.337 4.120 -0.001 0.000 0.291 161 V C 0.336 176.535 176.094 0.175 0.000 1.049 161 V CA -0.220 62.184 62.300 0.174 0.000 1.038 161 V CB 0.501 32.385 31.823 0.102 0.000 0.980 161 V HN 0.440 nan 8.190 nan 0.000 0.481 162 K N 4.685 125.209 120.400 0.206 0.000 2.502 162 K HA 0.588 4.907 4.320 -0.001 0.000 0.254 162 K C -1.226 175.488 176.600 0.190 0.000 0.947 162 K CA -0.722 55.670 56.287 0.175 0.000 0.834 162 K CB 2.138 34.714 32.500 0.128 0.000 1.112 162 K HN 0.425 nan 8.250 nan 0.000 0.427 163 L N 1.280 122.607 121.223 0.174 0.000 2.334 163 L HA 0.676 5.015 4.340 -0.001 0.000 0.272 163 L C -0.376 176.555 176.870 0.102 0.000 1.020 163 L CA 0.237 55.147 54.840 0.117 0.000 0.812 163 L CB 1.895 43.924 42.059 -0.050 0.000 1.264 163 L HN 0.738 nan 8.230 nan 0.000 0.439 164 S N 1.425 117.173 115.700 0.081 0.000 2.680 164 S HA 0.738 5.207 4.470 -0.001 0.000 0.276 164 S C -1.724 172.906 174.600 0.051 0.000 1.189 164 S CA 0.025 58.258 58.200 0.056 0.000 0.909 164 S CB 0.541 63.767 63.200 0.042 0.000 1.227 164 S HN 1.072 nan 8.310 nan 0.000 0.501 165 S N -0.365 115.354 115.700 0.031 0.000 2.547 165 S HA 0.534 5.004 4.470 -0.001 0.000 0.270 165 S C -0.258 174.352 174.600 0.017 0.000 1.150 165 S CA 0.101 58.322 58.200 0.035 0.000 0.850 165 S CB 1.280 64.505 63.200 0.042 0.000 1.118 165 S HN 1.719 nan 8.310 nan 0.000 0.461 166 V N 1.735 121.669 119.914 0.033 0.000 3.483 166 V HA 0.638 4.758 4.120 -0.001 0.000 0.301 166 V C 1.539 177.658 176.094 0.041 0.000 1.389 166 V CA 0.944 63.267 62.300 0.038 0.000 1.101 166 V CB -0.718 31.153 31.823 0.079 0.000 0.971 166 V HN 1.730 nan 8.190 nan 0.000 0.434 167 G N 1.132 109.951 108.800 0.031 0.000 3.729 167 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.327 167 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.327 167 G C -0.023 174.893 174.900 0.026 0.000 1.293 167 G CA 0.895 46.011 45.100 0.027 0.000 1.011 167 G HN 0.693 nan 8.290 nan 0.000 0.673 168 D N -0.171 120.255 120.400 0.044 0.000 2.692 168 D HA 0.334 4.973 4.640 -0.001 0.000 0.290 168 D C -1.957 174.380 176.300 0.062 0.000 1.281 168 D CA -0.179 53.847 54.000 0.043 0.000 0.804 168 D CB 1.300 42.115 40.800 0.025 0.000 1.331 168 D HN 0.162 nan 8.370 nan 0.000 0.432 169 P HA -0.165 nan 4.420 nan 0.000 0.216 169 P C 0.728 178.067 177.300 0.066 0.000 1.150 169 P CA 1.593 64.733 63.100 0.066 0.000 0.843 169 P CB 0.642 32.375 31.700 0.055 0.000 0.787 170 E N 0.299 120.535 120.200 0.060 0.000 2.028 170 E HA -0.150 4.199 4.350 -0.001 0.000 0.191 170 E C 1.935 178.589 176.600 0.090 0.000 0.988 170 E CA 1.333 57.772 56.400 0.066 0.000 0.799 170 E CB -0.891 28.841 29.700 0.053 0.000 0.755 170 E HN 0.275 nan 8.360 nan 0.000 0.447 171 D N 0.246 120.701 120.400 0.091 0.000 2.123 171 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 171 D C 1.933 178.320 176.300 0.145 0.000 0.992 171 D CA 0.940 55.014 54.000 0.124 0.000 0.833 171 D CB -0.267 40.589 40.800 0.094 0.000 0.954 171 D HN 0.070 nan 8.370 nan 0.000 0.455 172 R N 0.765 121.334 120.500 0.116 0.000 2.083 172 R HA -0.139 4.200 4.340 -0.001 0.000 0.237 172 R C 2.189 178.567 176.300 0.130 0.000 1.137 172 R CA 1.594 57.770 56.100 0.126 0.000 0.951 172 R CB -0.168 30.194 30.300 0.103 0.000 0.851 172 R HN 0.132 nan 8.270 nan 0.000 0.434 173 A N 0.999 123.883 122.820 0.107 0.000 1.877 173 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 173 A C 2.177 179.829 177.584 0.114 0.000 1.186 173 A CA 1.499 53.590 52.037 0.091 0.000 0.620 173 A CB -0.458 18.587 19.000 0.075 0.000 0.822 173 A HN 0.364 nan 8.150 nan 0.000 0.443 174 R N -2.254 118.340 120.500 0.156 0.000 2.081 174 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 174 R C 2.168 178.622 176.300 0.257 0.000 1.131 174 R CA 1.667 57.897 56.100 0.217 0.000 0.960 174 R CB -0.520 29.937 30.300 0.263 0.000 0.856 174 R HN 0.658 nan 8.270 nan 0.000 0.436 175 Y N 2.170 122.476 120.300 0.010 0.000 2.200 175 Y HA -0.171 4.378 4.550 -0.001 0.000 0.290 175 Y C 1.881 177.738 175.900 -0.072 0.000 1.137 175 Y CA 1.139 59.072 58.100 -0.278 0.000 1.163 175 Y CB -0.343 37.892 38.460 -0.375 0.000 0.988 175 Y HN 0.019 nan 8.280 nan 0.000 0.518 176 N N 0.387 119.063 118.700 -0.039 0.000 2.043 176 N HA -0.203 4.536 4.740 -0.001 0.000 0.193 176 N C 2.053 177.512 175.510 -0.084 0.000 1.037 176 N CA 1.663 54.649 53.050 -0.107 0.000 0.851 176 N CB -0.810 37.665 38.487 -0.021 0.000 1.027 176 N HN 0.470 nan 8.380 nan 0.000 0.422 177 A N 0.648 123.473 122.820 0.009 0.000 1.892 177 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 177 A C 2.195 179.801 177.584 0.036 0.000 1.188 177 A CA 1.597 53.654 52.037 0.033 0.000 0.631 177 A CB -1.207 17.843 19.000 0.084 0.000 0.822 177 A HN 0.498 nan 8.150 nan 0.000 0.447 178 Y N 0.593 120.866 120.300 -0.046 0.000 2.097 178 Y HA -0.228 4.321 4.550 -0.001 0.000 0.282 178 Y C 1.935 177.757 175.900 -0.129 0.000 1.152 178 Y CA 2.055 60.139 58.100 -0.025 0.000 1.136 178 Y CB -0.512 37.969 38.460 0.035 0.000 0.975 178 Y HN 0.211 nan 8.280 nan 0.000 0.498 179 L N 0.074 121.040 121.223 -0.428 0.000 2.042 179 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 179 L C 2.720 179.395 176.870 -0.326 0.000 1.076 179 L CA 1.729 56.261 54.840 -0.512 0.000 0.749 179 L CB -0.564 41.220 42.059 -0.458 0.000 0.893 179 L HN 0.211 nan 8.230 nan 0.000 0.432 180 R N 0.057 120.431 120.500 -0.210 0.000 2.073 180 R HA -0.174 4.165 4.340 -0.001 0.000 0.234 180 R C 2.202 178.430 176.300 -0.121 0.000 1.134 180 R CA 1.656 57.677 56.100 -0.131 0.000 0.952 180 R CB -0.361 29.891 30.300 -0.080 0.000 0.850 180 R HN 0.463 nan 8.270 nan 0.000 0.433 181 E N 0.132 120.259 120.200 -0.122 0.000 2.110 181 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 181 E C 2.003 178.537 176.600 -0.110 0.000 0.988 181 E CA 1.419 57.766 56.400 -0.088 0.000 0.804 181 E CB 0.015 29.690 29.700 -0.042 0.000 0.745 181 E HN 0.124 nan 8.360 nan 0.000 0.458 182 V N 0.933 120.714 119.914 -0.221 0.000 2.407 182 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 182 V C 2.120 178.192 176.094 -0.036 0.000 1.041 182 V CA 1.241 63.434 62.300 -0.179 0.000 1.040 182 V CB -0.265 31.308 31.823 -0.417 0.000 0.671 182 V HN 0.214 nan 8.190 nan 0.000 0.455 183 L N 0.549 121.716 121.223 -0.094 0.000 2.202 183 L HA -0.040 4.299 4.340 -0.001 0.000 0.205 183 L C 2.780 179.657 176.870 0.012 0.000 1.083 183 L CA 1.219 56.047 54.840 -0.020 0.000 0.790 183 L CB -0.700 41.310 42.059 -0.083 0.000 0.942 183 L HN 0.492 nan 8.230 nan 0.000 0.452 184 S N 0.721 116.399 115.700 -0.037 0.000 2.372 184 S HA -0.121 4.348 4.470 -0.001 0.000 0.227 184 S C -0.229 174.332 174.600 -0.065 0.000 1.044 184 S CA 1.369 59.542 58.200 -0.044 0.000 1.050 184 S CB -2.103 61.066 63.200 -0.052 0.000 0.901 184 S HN 0.309 nan 8.310 nan 0.000 0.447 185 P HA -0.042 nan 4.420 nan 0.000 0.226 185 P C 0.056 177.131 177.300 -0.374 0.000 1.153 185 P CA 1.252 64.204 63.100 -0.247 0.000 0.777 185 P CB -0.374 31.135 31.700 -0.318 0.000 0.794 186 H N -1.732 117.312 119.070 -0.042 0.000 2.592 186 H HA 0.293 4.848 4.556 -0.001 0.000 0.279 186 H C 2.030 177.337 175.328 -0.036 0.000 1.089 186 H CA -0.347 55.679 56.048 -0.036 0.000 1.150 186 H CB -0.030 29.709 29.762 -0.039 0.000 1.575 186 H HN -0.086 nan 8.280 nan 0.000 0.547 187 R N 1.476 121.994 120.500 0.029 0.000 2.153 187 R HA -0.213 4.126 4.340 -0.001 0.000 0.252 187 R C 1.023 177.329 176.300 0.010 0.000 1.158 187 R CA 1.857 57.962 56.100 0.008 0.000 0.975 187 R CB 0.052 30.342 30.300 -0.017 0.000 0.871 187 R HN 0.508 nan 8.270 nan 0.000 0.450 188 E N -0.827 119.379 120.200 0.009 0.000 2.333 188 E HA -0.144 4.205 4.350 -0.001 0.000 0.198 188 E C 1.224 177.834 176.600 0.015 0.000 1.007 188 E CA 0.823 57.227 56.400 0.007 0.000 0.845 188 E CB 0.073 29.774 29.700 0.002 0.000 0.766 188 E HN 0.448 nan 8.360 nan 0.000 0.507 189 A N 0.644 123.482 122.820 0.030 0.000 2.345 189 A HA 0.186 4.505 4.320 -0.001 0.000 0.225 189 A C 0.660 178.250 177.584 0.009 0.000 1.243 189 A CA -0.159 51.891 52.037 0.023 0.000 0.875 189 A CB 0.075 19.095 19.000 0.035 0.000 0.929 189 A HN 0.024 nan 8.150 nan 0.000 0.502 190 L N 0.162 121.389 121.223 0.006 0.000 2.399 190 L HA 0.343 4.683 4.340 -0.001 0.000 0.265 190 L C 0.350 177.218 176.870 -0.004 0.000 1.089 190 L CA -0.635 54.204 54.840 -0.003 0.000 0.802 190 L CB 1.453 43.508 42.059 -0.007 0.000 1.180 190 L HN 0.039 nan 8.230 nan 0.000 0.454 191 S N 0.376 116.072 115.700 -0.006 0.000 2.576 191 S HA 0.027 4.496 4.470 -0.001 0.000 0.276 191 S C 0.801 175.397 174.600 -0.006 0.000 1.339 191 S CA -0.572 57.625 58.200 -0.005 0.000 1.039 191 S CB 1.362 64.559 63.200 -0.005 0.000 0.902 191 S HN 0.555 nan 8.310 nan 0.000 0.516 192 E N 1.931 122.128 120.200 -0.005 0.000 2.136 192 E HA -0.229 4.121 4.350 -0.001 0.000 0.202 192 E C 1.537 178.133 176.600 -0.008 0.000 1.019 192 E CA 1.761 58.157 56.400 -0.006 0.000 0.819 192 E CB -0.223 29.474 29.700 -0.004 0.000 0.739 192 E HN 0.763 nan 8.360 nan 0.000 0.458 193 D N -0.729 119.667 120.400 -0.007 0.000 2.092 193 D HA -0.122 4.517 4.640 -0.001 0.000 0.193 193 D C 1.736 178.029 176.300 -0.011 0.000 0.994 193 D CA 1.907 55.902 54.000 -0.008 0.000 0.828 193 D CB -0.188 40.608 40.800 -0.007 0.000 0.963 193 D HN 0.075 nan 8.370 nan 0.000 0.450 194 S N -0.197 115.496 115.700 -0.012 0.000 2.382 194 S HA -0.142 4.327 4.470 -0.001 0.000 0.228 194 S C 1.837 176.426 174.600 -0.019 0.000 1.027 194 S CA 0.931 59.122 58.200 -0.016 0.000 0.991 194 S CB -0.285 62.905 63.200 -0.017 0.000 0.823 194 S HN 0.331 nan 8.310 nan 0.000 0.469 195 K N 1.090 121.481 120.400 -0.016 0.000 2.152 195 K HA -0.141 4.178 4.320 -0.001 0.000 0.206 195 K C 2.132 178.721 176.600 -0.018 0.000 1.048 195 K CA 1.379 57.657 56.287 -0.017 0.000 0.933 195 K CB -0.129 32.364 32.500 -0.013 0.000 0.721 195 K HN 0.511 nan 8.250 nan 0.000 0.447 196 E N 0.332 120.523 120.200 -0.016 0.000 2.051 196 E HA -0.101 4.248 4.350 -0.001 0.000 0.189 196 E C 2.030 178.619 176.600 -0.018 0.000 0.979 196 E CA 0.630 57.020 56.400 -0.016 0.000 0.803 196 E CB 0.003 29.695 29.700 -0.013 0.000 0.761 196 E HN 0.215 nan 8.360 nan 0.000 0.451 197 R N 0.593 121.081 120.500 -0.019 0.000 2.159 197 R HA -0.138 4.201 4.340 -0.001 0.000 0.237 197 R C 2.300 178.583 176.300 -0.030 0.000 1.131 197 R CA 0.604 56.691 56.100 -0.022 0.000 0.982 197 R CB -0.300 29.987 30.300 -0.021 0.000 0.868 197 R HN 0.095 nan 8.270 nan 0.000 0.453 198 L N 1.306 122.509 121.223 -0.033 0.000 2.191 198 L HA -0.148 4.191 4.340 -0.001 0.000 0.212 198 L C 1.893 178.740 176.870 -0.038 0.000 1.103 198 L CA 1.755 56.569 54.840 -0.043 0.000 0.769 198 L CB -0.192 41.843 42.059 -0.041 0.000 0.908 198 L HN 0.075 nan 8.230 nan 0.000 0.438 199 E N -0.004 120.179 120.200 -0.028 0.000 2.033 199 E HA -0.001 4.348 4.350 -0.001 0.000 0.189 199 E C 0.338 176.926 176.600 -0.020 0.000 0.979 199 E CA 0.793 57.179 56.400 -0.023 0.000 0.802 199 E CB 0.066 29.756 29.700 -0.018 0.000 0.763 199 E HN 0.557 nan 8.360 nan 0.000 0.449 200 E N 1.154 121.343 120.200 -0.019 0.000 2.216 200 E HA 0.186 4.535 4.350 -0.001 0.000 0.260 200 E C -1.002 175.589 176.600 -0.015 0.000 0.880 200 E CA -0.508 55.884 56.400 -0.014 0.000 0.765 200 E CB 1.151 30.844 29.700 -0.011 0.000 1.174 200 E HN 0.008 nan 8.360 nan 0.000 0.417 201 N N 3.318 122.010 118.700 -0.012 0.000 2.699 201 N HA -0.121 4.618 4.740 -0.001 0.000 0.257 201 N C -2.332 173.166 175.510 -0.021 0.000 1.077 201 N CA -0.021 53.025 53.050 -0.007 0.000 0.702 201 N CB -0.458 38.031 38.487 0.002 0.000 0.886 201 N HN 0.342 nan 8.380 nan 0.000 0.549 202 P HA -0.179 nan 4.420 nan 0.000 0.218 202 P C 1.727 178.984 177.300 -0.071 0.000 1.146 202 P CA 1.248 64.305 63.100 -0.072 0.000 0.813 202 P CB 0.044 31.674 31.700 -0.117 0.000 0.778 203 M N -1.395 118.175 119.600 -0.049 0.000 2.192 203 M HA -0.275 4.204 4.480 -0.001 0.000 0.256 203 M C 2.066 178.378 176.300 0.020 0.000 1.076 203 M CA 1.893 57.198 55.300 0.008 0.000 1.075 203 M CB -0.583 32.070 32.600 0.088 0.000 1.368 203 M HN -0.055 nan 8.290 nan 0.000 0.406 204 R N 0.043 120.547 120.500 0.007 0.000 2.127 204 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 204 R C 2.130 178.430 176.300 0.000 0.000 1.134 204 R CA 1.350 57.454 56.100 0.007 0.000 0.975 204 R CB -0.720 29.580 30.300 -0.001 0.000 0.865 204 R HN 0.458 nan 8.270 nan 0.000 0.447 205 I N 1.216 121.777 120.570 -0.015 0.000 2.657 205 I HA -0.256 3.913 4.170 -0.001 0.000 0.261 205 I C 1.677 177.789 176.117 -0.008 0.000 1.212 205 I CA 1.051 62.340 61.300 -0.019 0.000 1.453 205 I CB 0.128 38.105 38.000 -0.039 0.000 1.092 205 I HN 0.188 nan 8.210 nan 0.000 0.452 206 L N -0.125 121.103 121.223 0.007 0.000 2.044 206 L HA -0.137 4.203 4.340 -0.001 0.000 0.205 206 L C 1.211 178.095 176.870 0.024 0.000 1.075 206 L CA 1.096 55.953 54.840 0.028 0.000 0.747 206 L CB -0.472 41.629 42.059 0.068 0.000 0.903 206 L HN 0.092 nan 8.230 nan 0.000 0.435 207 D N -0.121 120.293 120.400 0.023 0.000 2.370 207 D HA 0.036 4.675 4.640 -0.001 0.000 0.230 207 D C 0.665 176.971 176.300 0.010 0.000 1.143 207 D CA 0.000 54.011 54.000 0.018 0.000 0.834 207 D CB 0.117 40.931 40.800 0.024 0.000 0.944 207 D HN 0.201 nan 8.370 nan 0.000 0.504 208 S N -1.072 114.631 115.700 0.006 0.000 2.681 208 S HA 0.442 4.911 4.470 -0.001 0.000 0.270 208 S C 0.625 175.226 174.600 0.001 0.000 1.209 208 S CA -0.780 57.421 58.200 0.002 0.000 0.988 208 S CB 2.132 65.330 63.200 -0.003 0.000 1.006 208 S HN -0.212 nan 8.310 nan 0.000 0.558 209 K N 0.203 120.603 120.400 0.000 0.000 2.720 209 K HA 0.586 4.905 4.320 -0.001 0.000 0.281 209 K C 0.264 176.863 176.600 -0.001 0.000 1.019 209 K CA -0.402 55.886 56.287 0.000 0.000 1.088 209 K CB 0.280 32.781 32.500 0.002 0.000 1.449 209 K HN 0.926 nan 8.250 nan 0.000 0.542 210 S N -0.186 115.513 115.700 -0.001 0.000 3.349 210 S HA -0.137 4.333 4.470 -0.001 0.000 0.854 210 S C 0.722 175.320 174.600 -0.003 0.000 1.140 210 S CA 0.687 58.886 58.200 -0.001 0.000 1.044 210 S CB -0.219 62.980 63.200 -0.002 0.000 0.716 210 S HN 0.647 nan 8.310 nan 0.000 0.271 211 E N 2.596 122.795 120.200 -0.003 0.000 2.152 211 E HA 0.061 4.410 4.350 -0.001 0.000 0.192 211 E C 2.058 178.654 176.600 -0.006 0.000 0.983 211 E CA 1.618 58.015 56.400 -0.004 0.000 0.818 211 E CB -0.030 29.669 29.700 -0.003 0.000 0.758 211 E HN 0.578 nan 8.360 nan 0.000 0.467 212 R N 0.638 121.134 120.500 -0.005 0.000 2.115 212 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 212 R C 1.786 178.079 176.300 -0.011 0.000 1.133 212 R CA 1.810 57.906 56.100 -0.007 0.000 0.935 212 R CB -0.502 29.795 30.300 -0.005 0.000 0.853 212 R HN 0.276 nan 8.270 nan 0.000 0.433 213 D N 0.292 120.685 120.400 -0.010 0.000 2.084 213 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 213 D C 2.171 178.462 176.300 -0.015 0.000 0.990 213 D CA 1.041 55.033 54.000 -0.014 0.000 0.826 213 D CB -0.316 40.478 40.800 -0.011 0.000 0.971 213 D HN 0.189 nan 8.370 nan 0.000 0.453 214 Q N 0.871 120.665 119.800 -0.010 0.000 2.045 214 Q HA -0.130 4.210 4.340 -0.001 0.000 0.206 214 Q C 2.322 178.315 176.000 -0.012 0.000 0.991 214 Q CA 1.482 57.281 55.803 -0.008 0.000 0.851 214 Q CB -0.782 27.953 28.738 -0.005 0.000 0.911 214 Q HN 0.289 nan 8.270 nan 0.000 0.418 215 A N 0.885 123.697 122.820 -0.014 0.000 1.908 215 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 215 A C 2.175 179.742 177.584 -0.029 0.000 1.181 215 A CA 1.565 53.592 52.037 -0.017 0.000 0.627 215 A CB -0.736 18.255 19.000 -0.015 0.000 0.818 215 A HN 0.329 nan 8.150 nan 0.000 0.445 216 L N -0.097 121.105 121.223 -0.036 0.000 1.994 216 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 216 L C 2.338 179.166 176.870 -0.070 0.000 1.071 216 L CA 1.797 56.600 54.840 -0.063 0.000 0.745 216 L CB -0.615 41.408 42.059 -0.060 0.000 0.892 216 L HN 0.421 nan 8.230 nan 0.000 0.431 217 L N -0.685 120.511 121.223 -0.045 0.000 2.043 217 L HA -0.290 4.049 4.340 -0.001 0.000 0.212 217 L C 2.649 179.509 176.870 -0.016 0.000 1.075 217 L CA 1.683 56.505 54.840 -0.030 0.000 0.752 217 L CB -0.688 41.366 42.059 -0.007 0.000 0.891 217 L HN 0.298 nan 8.230 nan 0.000 0.432 218 K N -0.195 120.197 120.400 -0.014 0.000 1.985 218 K HA -0.237 4.082 4.320 -0.001 0.000 0.210 218 K C 2.133 178.725 176.600 -0.014 0.000 1.047 218 K CA 1.670 57.953 56.287 -0.005 0.000 0.932 218 K CB -0.195 32.301 32.500 -0.006 0.000 0.716 218 K HN 0.276 nan 8.250 nan 0.000 0.439 219 E N 1.084 121.265 120.200 -0.032 0.000 2.085 219 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 219 E C 1.936 178.503 176.600 -0.054 0.000 0.994 219 E CA 0.916 57.291 56.400 -0.041 0.000 0.801 219 E CB 0.009 29.676 29.700 -0.055 0.000 0.743 219 E HN 0.250 nan 8.360 nan 0.000 0.453 220 L N -0.048 121.124 121.223 -0.086 0.000 2.456 220 L HA -0.034 4.305 4.340 -0.001 0.000 0.224 220 L C 1.327 178.188 176.870 -0.016 0.000 1.148 220 L CA 0.610 55.389 54.840 -0.100 0.000 0.825 220 L CB -0.419 41.541 42.059 -0.166 0.000 0.937 220 L HN 0.414 nan 8.230 nan 0.000 0.450 221 G N 0.702 109.509 108.800 0.012 0.000 2.295 221 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.287 221 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.287 221 G C 0.138 175.110 174.900 0.120 0.000 1.055 221 G CA 0.113 45.247 45.100 0.058 0.000 0.922 221 G HN 0.117 nan 8.290 nan 0.000 0.503 222 V N 1.256 121.239 119.914 0.116 0.000 2.458 222 V HA 0.101 4.220 4.120 -0.001 0.000 0.287 222 V C 1.492 177.753 176.094 0.278 0.000 1.009 222 V CA 0.226 62.656 62.300 0.216 0.000 1.091 222 V CB 0.249 32.148 31.823 0.128 0.000 0.960 222 V HN 0.501 nan 8.190 nan 0.000 0.476 223 R N 5.296 126.037 120.500 0.402 0.000 2.539 223 R HA 0.298 4.637 4.340 -0.001 0.000 0.275 223 R C -2.361 174.114 176.300 0.292 0.000 1.077 223 R CA -1.614 54.660 56.100 0.289 0.000 1.097 223 R CB 0.361 30.814 30.300 0.255 0.000 1.018 223 R HN 0.436 nan 8.270 nan 0.000 0.483 224 P HA -0.072 nan 4.420 nan 0.000 0.268 224 P C 0.504 177.683 177.300 -0.201 0.000 1.208 224 P CA -0.018 63.103 63.100 0.035 0.000 0.777 224 P CB 0.481 32.194 31.700 0.022 0.000 0.875 225 M N 3.252 122.547 119.600 -0.507 0.000 2.213 225 M HA -0.114 4.365 4.480 -0.001 0.000 0.263 225 M C 1.384 177.479 176.300 -0.342 0.000 1.062 225 M CA 1.721 56.438 55.300 -0.971 0.000 1.105 225 M CB -1.218 30.989 32.600 -0.655 0.000 1.385 225 M HN 0.275 nan 8.290 nan 0.000 0.417 226 L N -0.086 121.048 121.223 -0.149 0.000 2.043 226 L HA -0.284 4.055 4.340 -0.001 0.000 0.212 226 L C 1.647 178.514 176.870 -0.005 0.000 1.075 226 L CA 1.565 56.375 54.840 -0.049 0.000 0.752 226 L CB -1.043 41.002 42.059 -0.024 0.000 0.891 226 L HN 0.307 nan 8.230 nan 0.000 0.432 227 D N -0.552 119.872 120.400 0.040 0.000 2.351 227 D HA -0.154 4.485 4.640 -0.001 0.000 0.216 227 D C 1.314 177.557 176.300 -0.096 0.000 0.968 227 D CA 1.199 55.194 54.000 -0.008 0.000 0.899 227 D CB -0.046 40.747 40.800 -0.012 0.000 0.907 227 D HN 0.300 nan 8.370 nan 0.000 0.514 228 F N 0.226 120.060 119.950 -0.194 0.000 2.639 228 F HA 0.245 4.772 4.527 -0.001 0.000 0.302 228 F C 0.818 176.562 175.800 -0.093 0.000 1.097 228 F CA -0.484 57.431 58.000 -0.141 0.000 1.294 228 F CB -0.157 38.753 39.000 -0.149 0.000 1.027 228 F HN -0.236 nan 8.300 nan 0.000 0.550 229 L N 0.403 121.657 121.223 0.053 0.000 2.426 229 L HA 0.331 4.670 4.340 -0.001 0.000 0.271 229 L C 1.197 178.076 176.870 0.015 0.000 1.169 229 L CA -0.420 54.437 54.840 0.029 0.000 0.836 229 L CB 0.135 42.201 42.059 0.011 0.000 1.112 229 L HN 0.187 nan 8.230 nan 0.000 0.465 230 G N 1.046 109.860 108.800 0.022 0.000 2.544 230 G HA2 0.059 4.018 3.960 -0.001 0.000 0.242 230 G HA3 0.059 4.018 3.960 -0.001 0.000 0.242 230 G C 0.704 175.607 174.900 0.005 0.000 1.247 230 G CA -0.287 44.821 45.100 0.012 0.000 0.840 230 G HN 0.831 nan 8.290 nan 0.000 0.578 231 E N 0.696 120.896 120.200 -0.001 0.000 2.021 231 E HA -0.216 4.133 4.350 -0.001 0.000 0.200 231 E C 2.185 178.792 176.600 0.012 0.000 1.015 231 E CA 2.272 58.673 56.400 0.000 0.000 0.824 231 E CB -0.278 29.420 29.700 -0.004 0.000 0.762 231 E HN 0.718 nan 8.360 nan 0.000 0.454 232 E N -0.065 120.144 120.200 0.015 0.000 2.147 232 E HA -0.299 4.050 4.350 -0.001 0.000 0.199 232 E C 2.036 178.663 176.600 0.044 0.000 1.005 232 E CA 1.106 57.523 56.400 0.028 0.000 0.810 232 E CB -0.342 29.370 29.700 0.020 0.000 0.736 232 E HN 0.436 nan 8.360 nan 0.000 0.460 233 A N 1.450 124.286 122.820 0.026 0.000 1.877 233 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 233 A C 2.147 179.766 177.584 0.059 0.000 1.186 233 A CA 1.790 53.844 52.037 0.029 0.000 0.620 233 A CB -0.422 18.585 19.000 0.013 0.000 0.822 233 A HN 0.042 nan 8.150 nan 0.000 0.443 234 R N 0.009 120.531 120.500 0.036 0.000 2.096 234 R HA -0.005 4.334 4.340 -0.001 0.000 0.235 234 R C 2.151 178.471 176.300 0.032 0.000 1.127 234 R CA 1.738 57.855 56.100 0.028 0.000 0.968 234 R CB -0.758 29.546 30.300 0.008 0.000 0.861 234 R HN 0.419 nan 8.270 nan 0.000 0.440 235 A N 0.109 122.951 122.820 0.038 0.000 1.865 235 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 235 A C 2.213 179.818 177.584 0.036 0.000 1.191 235 A CA 1.808 53.861 52.037 0.026 0.000 0.623 235 A CB -1.117 17.902 19.000 0.031 0.000 0.826 235 A HN 0.591 nan 8.150 nan 0.000 0.444 236 H N -0.595 118.464 119.070 -0.020 0.000 2.319 236 H HA -0.158 4.397 4.556 -0.001 0.000 0.299 236 H C 2.075 177.384 175.328 -0.031 0.000 1.092 236 H CA 2.098 58.136 56.048 -0.018 0.000 1.302 236 H CB -0.269 29.491 29.762 -0.003 0.000 1.373 236 H HN 0.351 nan 8.280 nan 0.000 0.497 237 L N 1.507 122.806 121.223 0.127 0.000 2.079 237 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 237 L C 2.409 179.253 176.870 -0.043 0.000 1.081 237 L CA 1.788 56.657 54.840 0.049 0.000 0.752 237 L CB -0.560 41.531 42.059 0.052 0.000 0.896 237 L HN 0.006 nan 8.230 nan 0.000 0.433 238 K N -0.251 120.120 120.400 -0.048 0.000 2.097 238 K HA -0.124 4.195 4.320 -0.001 0.000 0.205 238 K C 2.037 178.539 176.600 -0.164 0.000 1.050 238 K CA 1.175 57.415 56.287 -0.078 0.000 0.938 238 K CB -0.165 32.301 32.500 -0.056 0.000 0.718 238 K HN 0.331 nan 8.250 nan 0.000 0.442 239 E N -0.013 120.059 120.200 -0.214 0.000 2.085 239 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 239 E C 2.029 178.337 176.600 -0.486 0.000 0.994 239 E CA 1.292 57.467 56.400 -0.375 0.000 0.801 239 E CB -0.331 29.172 29.700 -0.328 0.000 0.743 239 E HN 0.111 nan 8.360 nan 0.000 0.453 240 V N 1.712 121.459 119.914 -0.279 0.000 2.261 240 V HA -0.253 3.866 4.120 -0.001 0.000 0.246 240 V C 2.237 178.195 176.094 -0.227 0.000 1.047 240 V CA 1.964 64.153 62.300 -0.185 0.000 1.015 240 V CB -0.592 31.146 31.823 -0.141 0.000 0.642 240 V HN 0.250 nan 8.190 nan 0.000 0.446 241 E N -0.089 119.976 120.200 -0.225 0.000 2.085 241 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 241 E C 2.438 178.974 176.600 -0.107 0.000 0.994 241 E CA 1.455 57.745 56.400 -0.184 0.000 0.801 241 E CB -0.252 29.430 29.700 -0.030 0.000 0.743 241 E HN 0.446 nan 8.360 nan 0.000 0.453 242 R N 0.172 120.565 120.500 -0.179 0.000 2.083 242 R HA -0.182 4.157 4.340 -0.001 0.000 0.237 242 R C 2.346 178.578 176.300 -0.113 0.000 1.137 242 R CA 1.603 57.599 56.100 -0.173 0.000 0.951 242 R CB -0.140 29.985 30.300 -0.291 0.000 0.851 242 R HN 0.304 nan 8.270 nan 0.000 0.434 243 H N 0.558 119.580 119.070 -0.080 0.000 2.321 243 H HA -0.121 4.434 4.556 -0.001 0.000 0.300 243 H C 2.229 177.503 175.328 -0.090 0.000 1.087 243 H CA 1.554 57.552 56.048 -0.084 0.000 1.319 243 H CB -0.489 29.210 29.762 -0.105 0.000 1.379 243 H HN 0.225 nan 8.280 nan 0.000 0.501 244 L N 0.686 121.902 121.223 -0.011 0.000 2.012 244 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 244 L C 2.694 179.574 176.870 0.017 0.000 1.073 244 L CA 1.645 56.439 54.840 -0.077 0.000 0.748 244 L CB -0.433 41.460 42.059 -0.277 0.000 0.891 244 L HN 0.330 nan 8.230 nan 0.000 0.431 245 E N 1.067 121.312 120.200 0.075 0.000 2.058 245 E HA -0.308 4.041 4.350 -0.001 0.000 0.194 245 E C 2.275 178.894 176.600 0.031 0.000 0.997 245 E CA 1.626 58.076 56.400 0.083 0.000 0.801 245 E CB -0.039 29.708 29.700 0.079 0.000 0.746 245 E HN 0.240 nan 8.360 nan 0.000 0.450 246 R N 0.972 121.488 120.500 0.027 0.000 2.091 246 R HA -0.058 4.281 4.340 -0.001 0.000 0.238 246 R C 2.358 178.664 176.300 0.010 0.000 1.136 246 R CA 1.469 57.582 56.100 0.022 0.000 0.959 246 R CB -0.837 29.489 30.300 0.043 0.000 0.856 246 R HN 0.320 nan 8.270 nan 0.000 0.437 247 L N 0.457 121.681 121.223 0.003 0.000 2.610 247 L HA 0.125 4.464 4.340 -0.001 0.000 0.232 247 L C 0.191 177.049 176.870 -0.020 0.000 1.149 247 L CA 0.544 55.376 54.840 -0.014 0.000 0.872 247 L CB -0.095 41.945 42.059 -0.032 0.000 0.992 247 L HN 0.197 nan 8.230 nan 0.000 0.447 248 S N -0.753 114.938 115.700 -0.015 0.000 3.635 248 S HA -0.119 4.350 4.470 -0.001 0.000 0.328 248 S C 0.275 174.838 174.600 -0.061 0.000 1.135 248 S CA 0.176 58.364 58.200 -0.021 0.000 0.942 248 S CB -1.682 61.513 63.200 -0.009 0.000 0.930 248 S HN 0.169 nan 8.310 nan 0.000 0.512 249 V N 3.282 123.135 119.914 -0.101 0.000 2.372 249 V HA 0.256 4.375 4.120 -0.001 0.000 0.261 249 V C -1.319 174.688 176.094 -0.146 0.000 1.055 249 V CA -1.511 60.623 62.300 -0.278 0.000 0.930 249 V CB 0.358 31.970 31.823 -0.351 0.000 1.031 249 V HN 0.210 nan 8.190 nan 0.000 0.479 250 P HA 0.184 nan 4.420 nan 0.000 0.270 250 P C -1.175 176.097 177.300 -0.046 0.000 1.242 250 P CA 0.253 63.288 63.100 -0.109 0.000 0.768 250 P CB 0.191 31.846 31.700 -0.075 0.000 0.820 251 Y N 0.030 120.254 120.300 -0.127 0.000 2.638 251 Y HA 0.809 5.358 4.550 -0.001 0.000 0.339 251 Y C -0.909 174.959 175.900 -0.054 0.000 1.084 251 Y CA -1.828 56.218 58.100 -0.090 0.000 1.068 251 Y CB 1.352 39.750 38.460 -0.104 0.000 1.294 251 Y HN 0.177 nan 8.280 nan 0.000 0.480 252 E N 1.291 121.532 120.200 0.068 0.000 2.224 252 E HA 0.421 4.771 4.350 -0.001 0.000 0.265 252 E C -2.054 174.626 176.600 0.133 0.000 0.878 252 E CA -0.756 55.634 56.400 -0.017 0.000 0.759 252 E CB 1.641 31.332 29.700 -0.016 0.000 1.164 252 E HN 0.744 nan 8.360 nan 0.000 0.414 253 L N 4.396 125.680 121.223 0.101 0.000 2.385 253 L HA 0.255 4.594 4.340 -0.001 0.000 0.281 253 L C -0.411 176.499 176.870 0.067 0.000 1.106 253 L CA 0.220 55.147 54.840 0.146 0.000 0.856 253 L CB 0.317 42.456 42.059 0.134 0.000 1.186 253 L HN 0.465 nan 8.230 nan 0.000 0.453 254 E N 7.170 127.410 120.200 0.066 0.000 2.313 254 E HA 0.212 4.561 4.350 -0.001 0.000 0.276 254 E C -1.598 175.015 176.600 0.022 0.000 1.031 254 E CA -1.911 54.509 56.400 0.033 0.000 0.857 254 E CB 0.982 30.701 29.700 0.031 0.000 1.040 254 E HN 0.448 nan 8.360 nan 0.000 0.408 255 P HA -0.121 nan 4.420 nan 0.000 0.218 255 P C -0.273 177.019 177.300 -0.013 0.000 1.146 255 P CA 0.986 64.088 63.100 0.004 0.000 0.813 255 P CB 0.516 32.225 31.700 0.015 0.000 0.778 256 A N -0.809 122.012 122.820 0.001 0.000 2.562 256 A HA 0.501 4.820 4.320 -0.001 0.000 0.305 256 A C -1.465 176.130 177.584 0.019 0.000 1.059 256 A CA -0.598 51.438 52.037 -0.002 0.000 0.835 256 A CB 0.113 19.117 19.000 0.007 0.000 1.299 256 A HN 0.003 nan 8.150 nan 0.000 0.392 257 L N 3.036 124.269 121.223 0.016 0.000 2.277 257 L HA 0.422 4.761 4.340 -0.001 0.000 0.284 257 L C -0.488 176.393 176.870 0.017 0.000 1.028 257 L CA -0.923 53.928 54.840 0.018 0.000 0.835 257 L CB 1.670 43.736 42.059 0.011 0.000 1.215 257 L HN 0.521 nan 8.230 nan 0.000 0.425 258 V N 4.800 124.734 119.914 0.032 0.000 2.356 258 V HA 0.256 4.375 4.120 -0.001 0.000 0.258 258 V C 0.530 176.646 176.094 0.035 0.000 1.065 258 V CA -0.545 61.780 62.300 0.042 0.000 0.935 258 V CB 0.122 31.972 31.823 0.045 0.000 1.061 258 V HN 0.642 nan 8.190 nan 0.000 0.484 259 R N 3.396 123.921 120.500 0.041 0.000 2.357 259 R HA 0.309 4.648 4.340 -0.001 0.000 0.296 259 R C 1.448 177.808 176.300 0.099 0.000 1.052 259 R CA -0.080 56.059 56.100 0.064 0.000 0.988 259 R CB 1.118 31.442 30.300 0.040 0.000 1.025 259 R HN 0.743 nan 8.270 nan 0.000 0.469 260 G N 2.309 111.147 108.800 0.062 0.000 2.653 260 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.212 260 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.212 260 G C 0.187 175.061 174.900 -0.045 0.000 1.138 260 G CA 0.487 45.593 45.100 0.009 0.000 0.782 260 G HN 0.262 nan 8.290 nan 0.000 0.535 261 L N 0.015 121.205 121.223 -0.055 0.000 2.341 261 L HA 0.422 4.761 4.340 -0.001 0.000 0.278 261 L C -0.029 176.654 176.870 -0.311 0.000 1.005 261 L CA -0.571 54.059 54.840 -0.350 0.000 0.818 261 L CB 2.186 43.754 42.059 -0.818 0.000 1.259 261 L HN -0.180 nan 8.230 nan 0.000 0.418 262 D N 0.982 121.213 120.400 -0.281 0.000 2.363 262 D HA -0.109 4.530 4.640 -0.001 0.000 0.226 262 D C 1.220 177.498 176.300 -0.038 0.000 1.020 262 D CA 0.807 54.743 54.000 -0.106 0.000 0.892 262 D CB 0.122 40.889 40.800 -0.054 0.000 0.900 262 D HN 0.609 nan 8.370 nan 0.000 0.531 263 Y N -1.311 118.906 120.300 -0.138 0.000 2.466 263 Y HA 0.190 4.739 4.550 -0.001 0.000 0.272 263 Y C -0.087 175.786 175.900 -0.045 0.000 1.169 263 Y CA -1.309 56.721 58.100 -0.117 0.000 1.285 263 Y CB -1.543 36.817 38.460 -0.166 0.000 1.078 263 Y HN -0.226 nan 8.280 nan 0.000 0.523 264 Y N 1.061 121.614 120.300 0.422 0.000 2.425 264 Y HA 0.403 4.953 4.550 -0.001 0.000 0.331 264 Y C 0.074 176.076 175.900 0.169 0.000 1.157 264 Y CA -1.130 57.155 58.100 0.308 0.000 1.372 264 Y CB 1.086 39.680 38.460 0.223 0.000 1.253 264 Y HN -0.099 nan 8.280 nan 0.000 0.536 265 V N 5.602 125.704 119.914 0.312 0.000 2.623 265 V HA 0.586 4.705 4.120 -0.001 0.000 0.304 265 V C -0.211 175.936 176.094 0.088 0.000 1.054 265 V CA -0.767 61.621 62.300 0.148 0.000 0.882 265 V CB 1.073 32.943 31.823 0.078 0.000 1.002 265 V HN 0.994 nan 8.190 nan 0.000 0.424 266 R N 2.630 123.161 120.500 0.051 0.000 4.066 266 R HA -0.166 4.173 4.340 -0.001 0.000 0.288 266 R C 0.164 176.505 176.300 0.068 0.000 0.241 266 R CA 1.041 57.150 56.100 0.015 0.000 0.984 266 R CB -1.822 28.411 30.300 -0.112 0.000 1.043 266 R HN 0.742 nan 8.270 nan 0.000 0.539 267 T N 1.441 116.056 114.554 0.102 0.000 2.867 267 T HA 0.308 4.657 4.350 -0.001 0.000 0.290 267 T C 0.031 174.816 174.700 0.141 0.000 1.025 267 T CA 0.841 63.038 62.100 0.161 0.000 1.146 267 T CB 0.489 69.499 68.868 0.236 0.000 1.024 267 T HN 0.607 nan 8.240 nan 0.000 0.519 268 A N 3.206 126.106 122.820 0.132 0.000 2.459 268 A HA 0.754 5.073 4.320 -0.001 0.000 0.296 268 A C -0.852 176.811 177.584 0.131 0.000 1.039 268 A CA -1.077 50.939 52.037 -0.035 0.000 0.698 268 A CB 1.061 19.985 19.000 -0.128 0.000 1.261 268 A HN 0.797 nan 8.150 nan 0.000 0.405 269 F N -0.492 119.422 119.950 -0.060 0.000 2.662 269 F HA 0.921 5.447 4.527 -0.001 0.000 0.312 269 F C -0.628 175.191 175.800 0.031 0.000 1.113 269 F CA -0.860 57.139 58.000 -0.003 0.000 0.951 269 F CB 1.331 40.329 39.000 -0.003 0.000 1.344 269 F HN 0.530 nan 8.300 nan 0.000 0.462 270 E N 0.805 121.145 120.200 0.235 0.000 2.363 270 E HA 0.578 4.927 4.350 -0.001 0.000 0.281 270 E C -1.926 174.824 176.600 0.251 0.000 0.953 270 E CA -1.070 55.422 56.400 0.153 0.000 0.778 270 E CB 3.269 33.078 29.700 0.183 0.000 1.220 270 E HN 0.529 nan 8.360 nan 0.000 0.431 271 V N 3.033 123.016 119.914 0.115 0.000 2.459 271 V HA 0.401 4.520 4.120 -0.001 0.000 0.295 271 V C -0.264 175.829 176.094 -0.001 0.000 1.029 271 V CA -0.593 61.797 62.300 0.149 0.000 0.874 271 V CB 1.272 33.156 31.823 0.102 0.000 0.985 271 V HN 0.624 nan 8.190 nan 0.000 0.438 272 H N 2.839 121.958 119.070 0.083 0.000 2.812 272 H HA 0.596 5.151 4.556 -0.001 0.000 0.355 272 H C -1.223 174.176 175.328 0.119 0.000 1.207 272 H CA -0.683 55.414 56.048 0.082 0.000 1.217 272 H CB 2.647 32.441 29.762 0.054 0.000 1.874 272 H HN 0.621 nan 8.280 nan 0.000 0.581 273 H N 0.820 119.968 119.070 0.131 0.000 2.966 273 H HA 0.067 4.622 4.556 -0.001 0.000 0.347 273 H C -0.158 175.210 175.328 0.066 0.000 1.048 273 H CA -0.239 55.850 56.048 0.068 0.000 1.295 273 H CB 1.602 31.378 29.762 0.023 0.000 1.744 273 H HN 0.736 nan 8.280 nan 0.000 0.513 274 E N 2.653 122.757 120.200 -0.160 0.000 2.058 274 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 274 E C 0.195 176.827 176.600 0.054 0.000 0.997 274 E CA 1.185 57.554 56.400 -0.052 0.000 0.801 274 E CB 0.159 29.795 29.700 -0.106 0.000 0.746 274 E HN 0.569 nan 8.360 nan 0.000 0.450 275 E N -0.116 120.153 120.200 0.115 0.000 3.259 275 E HA 0.007 4.356 4.350 -0.001 0.000 0.307 275 E C 0.173 176.911 176.600 0.229 0.000 1.375 275 E CA 0.396 56.934 56.400 0.230 0.000 1.472 275 E CB -0.349 29.549 29.700 0.330 0.000 1.174 275 E HN 0.324 nan 8.360 nan 0.000 0.473 276 I N -1.755 118.902 120.570 0.146 0.000 5.167 276 I HA 0.131 4.300 4.170 -0.001 0.000 0.380 276 I C 1.159 177.314 176.117 0.063 0.000 1.141 276 I CA 0.166 61.521 61.300 0.092 0.000 1.534 276 I CB 0.341 38.389 38.000 0.080 0.000 2.035 276 I HN 0.484 nan 8.210 nan 0.000 0.670 277 G N 2.267 111.105 108.800 0.064 0.000 2.509 277 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.259 277 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.259 277 G C 0.268 175.195 174.900 0.044 0.000 1.169 277 G CA -0.036 45.092 45.100 0.045 0.000 0.953 277 G HN 0.682 nan 8.290 nan 0.000 0.563 278 A N -0.803 122.036 122.820 0.031 0.000 2.448 278 A HA 0.543 4.863 4.320 -0.001 0.000 0.239 278 A C 1.106 178.702 177.584 0.021 0.000 1.080 278 A CA 1.861 53.914 52.037 0.027 0.000 0.779 278 A CB -0.056 18.954 19.000 0.016 0.000 1.026 278 A HN 1.983 nan 8.150 nan 0.000 0.499 279 Q N -0.277 119.535 119.800 0.020 0.000 2.470 279 Q HA -0.151 4.188 4.340 -0.001 0.000 0.294 279 Q C 0.929 176.936 176.000 0.011 0.000 1.356 279 Q CA 1.057 56.855 55.803 -0.008 0.000 0.805 279 Q CB -2.469 26.233 28.738 -0.060 0.000 1.157 279 Q HN 1.175 nan 8.270 nan 0.000 0.431 280 S N -2.116 113.636 115.700 0.087 0.000 2.607 280 S HA 0.300 4.769 4.470 -0.001 0.000 0.224 280 S C 0.997 175.625 174.600 0.047 0.000 0.969 280 S CA 0.086 58.367 58.200 0.135 0.000 0.927 280 S CB 0.383 63.717 63.200 0.224 0.000 0.772 280 S HN 0.647 nan 8.310 nan 0.000 0.533 281 A N 1.894 124.637 122.820 -0.127 0.000 2.475 281 A HA 0.530 4.849 4.320 -0.001 0.000 0.293 281 A C 1.104 178.555 177.584 -0.221 0.000 1.252 281 A CA -0.446 51.312 52.037 -0.464 0.000 0.920 281 A CB -0.417 18.343 19.000 -0.400 0.000 1.125 281 A HN 0.526 nan 8.150 nan 0.000 0.528 282 L N 2.503 123.624 121.223 -0.171 0.000 2.056 282 L HA 0.101 4.440 4.340 -0.001 0.000 0.207 282 L C 1.451 178.339 176.870 0.029 0.000 1.078 282 L CA 1.226 56.029 54.840 -0.061 0.000 0.749 282 L CB -0.309 41.707 42.059 -0.071 0.000 0.901 282 L HN 0.758 nan 8.230 nan 0.000 0.433 283 G N -1.770 107.035 108.800 0.009 0.000 2.660 283 G HA2 0.576 4.535 3.960 -0.001 0.000 0.290 283 G HA3 0.576 4.535 3.960 -0.001 0.000 0.290 283 G C -1.491 173.446 174.900 0.061 0.000 1.432 283 G CA 0.074 45.262 45.100 0.147 0.000 0.807 283 G HN 0.138 nan 8.290 nan 0.000 0.485 284 G N -1.973 106.887 108.800 0.100 0.000 2.660 284 G HA2 1.004 4.963 3.960 -0.001 0.000 0.290 284 G HA3 1.004 4.963 3.960 -0.001 0.000 0.290 284 G C -0.362 174.451 174.900 -0.144 0.000 1.432 284 G CA 0.260 45.312 45.100 -0.080 0.000 0.807 284 G HN 1.913 nan 8.290 nan 0.000 0.485 285 G N -2.061 106.353 108.800 -0.644 0.000 2.340 285 G HA2 0.927 4.886 3.960 -0.001 0.000 0.299 285 G HA3 0.927 4.886 3.960 -0.001 0.000 0.299 285 G C -0.336 174.037 174.900 -0.878 0.000 1.291 285 G CA 0.563 45.359 45.100 -0.508 0.000 0.841 285 G HN 2.248 nan 8.290 nan 0.000 0.500 286 G N -1.313 107.427 108.800 -0.099 0.000 2.313 286 G HA2 0.569 4.529 3.960 -0.001 0.000 0.296 286 G HA3 0.569 4.529 3.960 -0.001 0.000 0.296 286 G C -1.133 174.070 174.900 0.505 0.000 1.356 286 G CA -0.307 44.863 45.100 0.117 0.000 0.833 286 G HN 0.707 nan 8.290 nan 0.000 0.552 287 R N -0.870 119.842 120.500 0.353 0.000 2.531 287 R HA 0.596 4.935 4.340 -0.001 0.000 0.273 287 R C -0.300 176.147 176.300 0.246 0.000 1.070 287 R CA -0.379 55.802 56.100 0.135 0.000 1.112 287 R CB 0.357 30.678 30.300 0.035 0.000 1.049 287 R HN 0.936 nan 8.270 nan 0.000 0.508 288 Y N -0.464 119.878 120.300 0.071 0.000 2.885 288 Y HA 0.350 4.899 4.550 -0.001 0.000 0.258 288 Y C -1.344 174.493 175.900 -0.104 0.000 0.926 288 Y CA -1.443 56.632 58.100 -0.043 0.000 1.121 288 Y CB -0.390 37.847 38.460 -0.372 0.000 1.213 288 Y HN 0.407 nan 8.280 nan 0.000 0.648 289 D N 1.395 121.701 120.400 -0.156 0.000 2.449 289 D HA 0.394 5.034 4.640 -0.001 0.000 0.236 289 D C 1.407 177.689 176.300 -0.031 0.000 1.149 289 D CA 2.098 56.021 54.000 -0.128 0.000 0.878 289 D CB 1.239 41.967 40.800 -0.120 0.000 1.198 289 D HN 0.779 nan 8.370 nan 0.000 0.446 290 G N 0.514 109.296 108.800 -0.030 0.000 2.279 290 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.223 290 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.223 290 G C 1.017 175.922 174.900 0.008 0.000 1.015 290 G CA 0.316 45.414 45.100 -0.003 0.000 0.621 290 G HN 0.494 nan 8.290 nan 0.000 0.506 291 L N 2.646 123.882 121.223 0.021 0.000 2.013 291 L HA -0.026 4.313 4.340 -0.001 0.000 0.212 291 L C 3.010 179.866 176.870 -0.023 0.000 1.073 291 L CA 3.582 58.424 54.840 0.002 0.000 0.753 291 L CB -0.922 41.093 42.059 -0.073 0.000 0.890 291 L HN 0.862 nan 8.230 nan 0.000 0.432 292 S N -1.111 114.569 115.700 -0.034 0.000 2.374 292 S HA -0.267 4.202 4.470 -0.001 0.000 0.227 292 S C 1.789 176.373 174.600 -0.026 0.000 1.037 292 S CA 1.523 59.699 58.200 -0.040 0.000 1.024 292 S CB -0.877 62.290 63.200 -0.054 0.000 0.861 292 S HN 0.675 nan 8.310 nan 0.000 0.456 293 E N 1.291 121.480 120.200 -0.019 0.000 2.150 293 E HA 0.061 4.410 4.350 -0.001 0.000 0.193 293 E C 2.009 178.602 176.600 -0.010 0.000 0.985 293 E CA 0.894 57.287 56.400 -0.012 0.000 0.814 293 E CB -0.376 29.320 29.700 -0.008 0.000 0.752 293 E HN 0.493 nan 8.360 nan 0.000 0.466 294 L N 0.468 121.687 121.223 -0.007 0.000 2.131 294 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 294 L C 1.871 178.730 176.870 -0.019 0.000 1.092 294 L CA 0.781 55.619 54.840 -0.004 0.000 0.759 294 L CB -0.134 41.932 42.059 0.012 0.000 0.903 294 L HN 0.190 nan 8.230 nan 0.000 0.435 295 L N -0.358 120.847 121.223 -0.030 0.000 2.612 295 L HA 0.197 4.537 4.340 -0.001 0.000 0.230 295 L C 1.118 177.963 176.870 -0.040 0.000 1.140 295 L CA 0.304 55.115 54.840 -0.047 0.000 0.896 295 L CB -0.444 41.576 42.059 -0.065 0.000 1.065 295 L HN 0.419 nan 8.230 nan 0.000 0.447 296 G N 0.415 109.198 108.800 -0.028 0.000 2.204 296 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.244 296 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.244 296 G C 0.229 175.117 174.900 -0.021 0.000 1.062 296 G CA -0.067 45.019 45.100 -0.024 0.000 0.798 296 G HN 0.547 nan 8.290 nan 0.000 0.496 297 G N -0.979 107.811 108.800 -0.017 0.000 2.816 297 G HA2 0.852 4.811 3.960 -0.001 0.000 0.288 297 G HA3 0.852 4.811 3.960 -0.001 0.000 0.288 297 G C -2.503 172.395 174.900 -0.004 0.000 1.334 297 G CA -1.081 44.014 45.100 -0.009 0.000 0.978 297 G HN 0.181 nan 8.290 nan 0.000 0.493 298 P HA 0.227 nan 4.420 nan 0.000 0.275 298 P C -0.258 177.040 177.300 -0.003 0.000 1.270 298 P CA -0.542 62.561 63.100 0.006 0.000 0.791 298 P CB 0.490 32.200 31.700 0.018 0.000 1.089 299 R N 0.406 120.901 120.500 -0.008 0.000 2.347 299 R HA 0.331 4.671 4.340 -0.001 0.000 0.304 299 R C -1.397 174.879 176.300 -0.039 0.000 1.072 299 R CA -0.040 56.046 56.100 -0.024 0.000 0.980 299 R CB -0.210 30.078 30.300 -0.021 0.000 0.986 299 R HN 0.198 nan 8.270 nan 0.000 0.448 300 V N 7.849 127.715 119.914 -0.080 0.000 2.462 300 V HA 0.297 4.416 4.120 -0.001 0.000 0.288 300 V C -2.256 173.723 176.094 -0.192 0.000 1.020 300 V CA -1.881 60.330 62.300 -0.149 0.000 0.857 300 V CB 1.712 33.382 31.823 -0.255 0.000 1.013 300 V HN 0.837 nan 8.190 nan 0.000 0.431 301 P HA 0.571 nan 4.420 nan 0.000 0.274 301 P C 0.081 177.185 177.300 -0.327 0.000 1.231 301 P CA 0.103 63.072 63.100 -0.219 0.000 0.790 301 P CB 1.045 32.663 31.700 -0.138 0.000 0.951 302 G N -0.340 108.145 108.800 -0.526 0.000 2.702 302 G HA2 0.552 4.511 3.960 -0.001 0.000 0.296 302 G HA3 0.552 4.511 3.960 -0.001 0.000 0.296 302 G C -1.678 172.632 174.900 -0.983 0.000 1.463 302 G CA -0.541 44.145 45.100 -0.690 0.000 0.890 302 G HN 0.379 nan 8.290 nan 0.000 0.534 303 V N -0.787 118.898 119.914 -0.382 0.000 3.040 303 V HA 1.078 5.197 4.120 -0.001 0.000 0.312 303 V C 0.568 176.839 176.094 0.295 0.000 1.115 303 V CA -0.178 62.126 62.300 0.007 0.000 0.998 303 V CB 1.343 33.262 31.823 0.160 0.000 1.042 303 V HN 2.116 nan 8.190 nan 0.000 0.433 304 G N 0.643 109.763 108.800 0.533 0.000 2.320 304 G HA2 0.710 4.669 3.960 -0.001 0.000 0.296 304 G HA3 0.710 4.669 3.960 -0.001 0.000 0.296 304 G C -1.699 173.592 174.900 0.651 0.000 1.306 304 G CA 0.021 45.417 45.100 0.494 0.000 0.836 304 G HN 1.731 nan 8.290 nan 0.000 0.517 305 F N -2.395 117.828 119.950 0.456 0.000 2.789 305 F HA 0.967 5.493 4.527 -0.001 0.000 0.319 305 F C -0.443 175.531 175.800 0.290 0.000 1.168 305 F CA -1.159 57.050 58.000 0.348 0.000 0.934 305 F CB 1.530 40.825 39.000 0.492 0.000 1.375 305 F HN 1.604 nan 8.300 nan 0.000 0.480 306 A N 1.289 124.393 122.820 0.473 0.000 2.532 306 A HA 0.660 4.980 4.320 -0.001 0.000 0.296 306 A C -1.952 175.865 177.584 0.389 0.000 1.058 306 A CA -0.537 51.656 52.037 0.259 0.000 0.729 306 A CB 0.565 19.631 19.000 0.110 0.000 1.285 306 A HN 1.448 nan 8.150 nan 0.000 0.396 307 F N 0.852 120.974 119.950 0.286 0.000 2.532 307 F HA 0.818 5.344 4.527 -0.001 0.000 0.321 307 F C 0.460 176.329 175.800 0.115 0.000 1.089 307 F CA -1.006 57.100 58.000 0.177 0.000 0.926 307 F CB 1.534 40.639 39.000 0.174 0.000 1.168 307 F HN 0.737 nan 8.300 nan 0.000 0.459 308 G N 2.319 111.269 108.800 0.250 0.000 2.372 308 G HA2 0.373 4.333 3.960 -0.001 0.000 0.286 308 G HA3 0.373 4.333 3.960 -0.001 0.000 0.286 308 G C 0.521 175.533 174.900 0.185 0.000 1.153 308 G CA -0.512 44.672 45.100 0.139 0.000 0.985 308 G HN 0.771 nan 8.290 nan 0.000 0.429 309 V N 2.898 122.879 119.914 0.112 0.000 2.392 309 V HA -0.205 3.914 4.120 -0.001 0.000 0.249 309 V C 2.640 178.670 176.094 -0.106 0.000 1.059 309 V CA 2.268 64.582 62.300 0.025 0.000 1.051 309 V CB -0.486 31.254 31.823 -0.138 0.000 0.658 309 V HN 0.696 nan 8.190 nan 0.000 0.455 310 E N -0.083 120.089 120.200 -0.046 0.000 2.051 310 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 310 E C 2.487 179.081 176.600 -0.009 0.000 0.991 310 E CA 0.952 57.365 56.400 0.022 0.000 0.799 310 E CB -0.288 29.516 29.700 0.173 0.000 0.748 310 E HN 0.402 nan 8.360 nan 0.000 0.449 311 R N 0.327 120.800 120.500 -0.046 0.000 2.083 311 R HA -0.105 4.234 4.340 -0.001 0.000 0.237 311 R C 2.380 178.640 176.300 -0.066 0.000 1.137 311 R CA 1.252 57.313 56.100 -0.065 0.000 0.951 311 R CB -1.062 29.197 30.300 -0.069 0.000 0.851 311 R HN 0.170 nan 8.270 nan 0.000 0.434 312 V N 1.448 121.342 119.914 -0.034 0.000 2.392 312 V HA -0.248 3.871 4.120 -0.001 0.000 0.249 312 V C 2.622 178.654 176.094 -0.104 0.000 1.059 312 V CA 1.877 64.123 62.300 -0.091 0.000 1.051 312 V CB -0.955 30.848 31.823 -0.034 0.000 0.658 312 V HN 0.346 nan 8.190 nan 0.000 0.455 313 A N -0.158 122.628 122.820 -0.056 0.000 1.902 313 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 313 A C 2.241 179.817 177.584 -0.015 0.000 1.181 313 A CA 1.847 53.873 52.037 -0.018 0.000 0.623 313 A CB -0.542 18.481 19.000 0.039 0.000 0.818 313 A HN 0.499 nan 8.150 nan 0.000 0.443 314 L N -0.819 120.392 121.223 -0.019 0.000 2.046 314 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 314 L C 3.133 179.955 176.870 -0.080 0.000 1.077 314 L CA 1.090 55.920 54.840 -0.017 0.000 0.747 314 L CB -0.566 41.488 42.059 -0.009 0.000 0.896 314 L HN 0.455 nan 8.230 nan 0.000 0.432 315 A N 0.160 122.856 122.820 -0.206 0.000 1.883 315 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 315 A C 2.248 179.679 177.584 -0.256 0.000 1.186 315 A CA 1.574 53.319 52.037 -0.485 0.000 0.624 315 A CB -0.796 17.778 19.000 -0.709 0.000 0.822 315 A HN 0.344 nan 8.150 nan 0.000 0.444 316 L N -0.805 120.327 121.223 -0.152 0.000 2.012 316 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 316 L C 2.733 179.694 176.870 0.152 0.000 1.073 316 L CA 1.999 56.824 54.840 -0.026 0.000 0.748 316 L CB -0.510 41.492 42.059 -0.095 0.000 0.891 316 L HN 0.629 nan 8.230 nan 0.000 0.431 317 E N 0.266 120.513 120.200 0.078 0.000 2.077 317 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 317 E C 2.197 178.850 176.600 0.089 0.000 0.989 317 E CA 1.236 57.690 56.400 0.089 0.000 0.800 317 E CB -0.016 29.719 29.700 0.058 0.000 0.746 317 E HN 0.466 nan 8.360 nan 0.000 0.452 318 A N 1.261 124.126 122.820 0.075 0.000 1.908 318 A HA -0.195 4.125 4.320 -0.001 0.000 0.218 318 A C 1.746 179.411 177.584 0.135 0.000 1.181 318 A CA 1.555 53.654 52.037 0.104 0.000 0.627 318 A CB -0.444 18.640 19.000 0.139 0.000 0.818 318 A HN 0.327 nan 8.150 nan 0.000 0.445 319 E N -0.993 119.320 120.200 0.189 0.000 2.416 319 E HA 0.261 4.610 4.350 -0.001 0.000 0.189 319 E C 0.889 177.532 176.600 0.073 0.000 1.091 319 E CA 0.195 56.725 56.400 0.216 0.000 0.889 319 E CB -0.435 29.499 29.700 0.390 0.000 1.015 319 E HN 0.752 nan 8.360 nan 0.000 0.479 320 G N 1.320 110.143 108.800 0.038 0.000 2.160 320 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.251 320 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.251 320 G C -0.156 174.637 174.900 -0.178 0.000 1.008 320 G CA -0.170 44.882 45.100 -0.081 0.000 0.724 320 G HN 0.240 nan 8.290 nan 0.000 0.514 321 F N 1.153 121.101 119.950 -0.003 0.000 2.404 321 F HA 0.580 5.106 4.527 -0.001 0.000 0.358 321 F C 1.181 176.980 175.800 -0.003 0.000 1.120 321 F CA 0.461 58.457 58.000 -0.006 0.000 1.144 321 F CB 1.507 40.498 39.000 -0.015 0.000 1.133 321 F HN 0.229 nan 8.300 nan 0.000 0.495 322 G N 2.899 111.776 108.800 0.128 0.000 2.932 322 G HA2 0.710 4.670 3.960 -0.001 0.000 0.283 322 G HA3 0.710 4.670 3.960 -0.001 0.000 0.283 322 G C -1.905 173.047 174.900 0.086 0.000 1.336 322 G CA -0.658 44.492 45.100 0.084 0.000 1.056 322 G HN 0.352 nan 8.290 nan 0.000 0.522 323 L N 1.007 122.263 121.223 0.056 0.000 2.370 323 L HA 0.611 4.950 4.340 -0.001 0.000 0.266 323 L C -1.923 174.966 176.870 0.032 0.000 1.002 323 L CA -1.893 52.976 54.840 0.048 0.000 0.818 323 L CB 2.112 44.196 42.059 0.042 0.000 1.325 323 L HN 0.377 nan 8.230 nan 0.000 0.418 324 P HA 0.212 nan 4.420 nan 0.000 0.276 324 P C -0.775 176.535 177.300 0.017 0.000 1.244 324 P CA -0.607 62.505 63.100 0.020 0.000 0.801 324 P CB 0.656 32.368 31.700 0.020 0.000 1.006 325 E N 0.902 121.109 120.200 0.012 0.000 2.534 325 E HA -0.095 4.254 4.350 -0.001 0.000 0.264 325 E C 0.204 176.812 176.600 0.013 0.000 0.981 325 E CA 0.475 56.881 56.400 0.010 0.000 0.948 325 E CB 0.196 29.899 29.700 0.004 0.000 0.934 325 E HN 0.428 nan 8.360 nan 0.000 0.459 326 E N 2.412 122.621 120.200 0.015 0.000 2.415 326 E HA -0.055 4.295 4.350 -0.001 0.000 0.260 326 E C -0.415 176.193 176.600 0.013 0.000 1.016 326 E CA 0.243 56.654 56.400 0.019 0.000 0.924 326 E CB 0.317 30.032 29.700 0.025 0.000 0.961 326 E HN 0.126 nan 8.360 nan 0.000 0.459 327 K N 2.611 123.021 120.400 0.016 0.000 2.436 327 K HA 0.211 4.530 4.320 -0.001 0.000 0.275 327 K C 0.326 176.933 176.600 0.011 0.000 0.999 327 K CA 0.332 56.628 56.287 0.015 0.000 0.980 327 K CB 0.796 33.308 32.500 0.021 0.000 0.919 327 K HN 0.672 nan 8.250 nan 0.000 0.484 328 G N 2.650 111.454 108.800 0.008 0.000 2.531 328 G HA2 0.369 4.328 3.960 -0.001 0.000 0.313 328 G HA3 0.369 4.328 3.960 -0.001 0.000 0.313 328 G C -2.494 172.421 174.900 0.025 0.000 1.238 328 G CA -1.178 43.923 45.100 0.002 0.000 0.994 328 G HN 0.385 nan 8.290 nan 0.000 0.493 329 P HA 0.149 nan 4.420 nan 0.000 0.271 329 P C -0.268 177.092 177.300 0.100 0.000 1.218 329 P CA -0.226 62.918 63.100 0.073 0.000 0.780 329 P CB 1.497 33.257 31.700 0.101 0.000 0.901 330 D N 0.813 121.282 120.400 0.114 0.000 2.144 330 D HA -0.061 4.578 4.640 -0.001 0.000 0.199 330 D C 0.647 177.080 176.300 0.220 0.000 0.984 330 D CA 1.639 55.733 54.000 0.157 0.000 0.834 330 D CB -0.013 40.864 40.800 0.128 0.000 0.955 330 D HN 0.222 nan 8.370 nan 0.000 0.465 331 L N -0.695 120.636 121.223 0.180 0.000 2.455 331 L HA 0.368 4.708 4.340 -0.001 0.000 0.264 331 L C -1.982 175.010 176.870 0.203 0.000 0.968 331 L CA -1.076 53.879 54.840 0.191 0.000 0.827 331 L CB 2.229 44.359 42.059 0.118 0.000 1.317 331 L HN -0.161 nan 8.230 nan 0.000 0.407 332 Y N 5.295 125.622 120.300 0.045 0.000 2.376 332 Y HA 0.618 5.167 4.550 -0.002 0.000 0.326 332 Y C -1.394 174.505 175.900 -0.002 0.000 0.970 332 Y CA -0.831 57.281 58.100 0.020 0.000 1.248 332 Y CB 1.108 39.564 38.460 -0.007 0.000 1.117 332 Y HN 0.574 nan 8.280 nan 0.000 0.476 333 L N 7.821 128.835 121.223 -0.348 0.000 2.319 333 L HA 0.389 4.728 4.340 -0.001 0.000 0.280 333 L C -0.110 176.491 176.870 -0.449 0.000 1.099 333 L CA -0.385 54.281 54.840 -0.289 0.000 0.828 333 L CB 1.083 43.075 42.059 -0.113 0.000 1.150 333 L HN 0.664 nan 8.230 nan 0.000 0.442 334 I N 5.640 126.046 120.570 -0.274 0.000 2.382 334 I HA 0.448 4.617 4.170 -0.001 0.000 0.285 334 I C -2.510 173.614 176.117 0.011 0.000 1.007 334 I CA -2.269 58.950 61.300 -0.135 0.000 1.142 334 I CB 2.170 40.163 38.000 -0.012 0.000 1.289 334 I HN 0.332 nan 8.210 nan 0.000 0.453 335 P HA 0.261 nan 4.420 nan 0.000 0.281 335 P C 0.130 177.469 177.300 0.064 0.000 1.252 335 P CA -0.262 62.856 63.100 0.030 0.000 0.778 335 P CB 1.147 32.847 31.700 0.001 0.000 0.895 336 L N 1.138 122.403 121.223 0.069 0.000 2.554 336 L HA 0.180 4.519 4.340 -0.001 0.000 0.225 336 L C 1.033 177.923 176.870 0.033 0.000 1.104 336 L CA 0.494 55.370 54.840 0.061 0.000 0.866 336 L CB -0.115 41.979 42.059 0.058 0.000 1.047 336 L HN 0.448 nan 8.230 nan 0.000 0.468 337 T N -5.625 108.944 114.554 0.025 0.000 2.896 337 T HA 0.268 4.617 4.350 -0.001 0.000 0.297 337 T C 0.462 175.168 174.700 0.009 0.000 1.108 337 T CA -0.617 61.492 62.100 0.015 0.000 1.004 337 T CB 2.559 71.434 68.868 0.012 0.000 1.159 337 T HN -0.142 nan 8.240 nan 0.000 0.499 338 E N 0.581 120.784 120.200 0.006 0.000 2.110 338 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 338 E C 1.833 178.429 176.600 -0.006 0.000 0.988 338 E CA 1.828 58.228 56.400 -0.000 0.000 0.804 338 E CB -0.139 29.562 29.700 0.001 0.000 0.745 338 E HN 0.834 nan 8.360 nan 0.000 0.458 339 E N -0.677 119.524 120.200 0.001 0.000 2.204 339 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 339 E C 1.758 178.356 176.600 -0.004 0.000 0.989 339 E CA 0.867 57.271 56.400 0.005 0.000 0.824 339 E CB -0.137 29.573 29.700 0.015 0.000 0.756 339 E HN 0.321 nan 8.360 nan 0.000 0.477 340 A N 1.019 123.834 122.820 -0.008 0.000 1.969 340 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 340 A C 2.419 179.966 177.584 -0.061 0.000 1.169 340 A CA 1.364 53.390 52.037 -0.018 0.000 0.635 340 A CB -0.875 18.125 19.000 0.001 0.000 0.810 340 A HN 0.324 nan 8.150 nan 0.000 0.445 341 V N -1.776 118.100 119.914 -0.064 0.000 2.282 341 V HA -0.236 3.883 4.120 -0.001 0.000 0.249 341 V C 2.516 178.482 176.094 -0.213 0.000 1.057 341 V CA 2.296 64.535 62.300 -0.102 0.000 1.032 341 V CB -1.667 30.119 31.823 -0.062 0.000 0.645 341 V HN 0.517 nan 8.190 nan 0.000 0.447 342 A N -0.153 122.537 122.820 -0.218 0.000 1.933 342 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 342 A C 2.168 179.360 177.584 -0.653 0.000 1.175 342 A CA 1.691 53.480 52.037 -0.413 0.000 0.628 342 A CB -0.602 18.252 19.000 -0.243 0.000 0.814 342 A HN 0.629 nan 8.150 nan 0.000 0.444 343 E N 0.032 120.079 120.200 -0.256 0.000 2.150 343 E HA -0.094 4.256 4.350 -0.001 0.000 0.193 343 E C 2.299 178.810 176.600 -0.149 0.000 0.985 343 E CA 1.116 57.474 56.400 -0.070 0.000 0.814 343 E CB -0.567 29.152 29.700 0.032 0.000 0.752 343 E HN 0.586 nan 8.360 nan 0.000 0.466 344 A N 1.077 123.768 122.820 -0.214 0.000 1.902 344 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 344 A C 2.064 179.416 177.584 -0.387 0.000 1.181 344 A CA 1.258 53.160 52.037 -0.225 0.000 0.623 344 A CB -0.787 18.097 19.000 -0.193 0.000 0.818 344 A HN 0.285 nan 8.150 nan 0.000 0.443 345 F N 0.044 119.481 119.950 -0.855 0.000 2.095 345 F HA -0.211 4.315 4.527 -0.002 0.000 0.298 345 F C 2.085 177.636 175.800 -0.415 0.000 1.104 345 F CA 1.539 58.930 58.000 -1.016 0.000 1.232 345 F CB -0.796 37.609 39.000 -0.992 0.000 0.987 345 F HN 0.314 nan 8.300 nan 0.000 0.475 346 Y N 0.038 120.065 120.300 -0.455 0.000 2.165 346 Y HA -0.187 4.362 4.550 -0.002 0.000 0.286 346 Y C 2.402 178.117 175.900 -0.309 0.000 1.155 346 Y CA 1.321 59.153 58.100 -0.447 0.000 1.164 346 Y CB -1.570 36.754 38.460 -0.226 0.000 0.978 346 Y HN 0.208 nan 8.280 nan 0.000 0.513 347 L N 0.241 121.426 121.223 -0.063 0.000 2.017 347 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 347 L C 2.403 179.235 176.870 -0.064 0.000 1.073 347 L CA 1.967 56.775 54.840 -0.053 0.000 0.745 347 L CB -1.280 40.753 42.059 -0.043 0.000 0.894 347 L HN 0.136 nan 8.230 nan 0.000 0.432 348 A N -0.882 121.894 122.820 -0.074 0.000 1.873 348 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 348 A C 2.205 179.778 177.584 -0.018 0.000 1.193 348 A CA 1.865 53.913 52.037 0.018 0.000 0.629 348 A CB -0.744 18.369 19.000 0.189 0.000 0.826 348 A HN 0.521 nan 8.150 nan 0.000 0.447 349 E N -0.294 119.824 120.200 -0.136 0.000 2.160 349 E HA -0.149 4.201 4.350 -0.001 0.000 0.195 349 E C 2.223 178.774 176.600 -0.081 0.000 0.991 349 E CA 1.172 57.489 56.400 -0.138 0.000 0.810 349 E CB -0.422 29.084 29.700 -0.322 0.000 0.742 349 E HN 0.586 nan 8.360 nan 0.000 0.466 350 A N 0.332 123.105 122.820 -0.078 0.000 2.014 350 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 350 A C 2.260 179.828 177.584 -0.028 0.000 1.163 350 A CA 0.621 52.627 52.037 -0.052 0.000 0.652 350 A CB -0.323 18.646 19.000 -0.051 0.000 0.808 350 A HN 0.186 nan 8.150 nan 0.000 0.449 351 L N -0.836 120.377 121.223 -0.017 0.000 2.270 351 L HA 0.037 4.377 4.340 -0.001 0.000 0.210 351 L C 1.054 177.931 176.870 0.011 0.000 1.104 351 L CA 0.136 54.976 54.840 -0.000 0.000 0.804 351 L CB -0.277 41.788 42.059 0.010 0.000 0.937 351 L HN 0.237 nan 8.230 nan 0.000 0.450 352 R N 1.066 121.575 120.500 0.016 0.000 2.641 352 R HA 0.090 4.429 4.340 -0.001 0.000 0.269 352 R C -1.398 174.912 176.300 0.016 0.000 1.074 352 R CA -1.022 55.093 56.100 0.026 0.000 1.133 352 R CB 0.142 30.467 30.300 0.041 0.000 1.029 352 R HN -0.058 nan 8.270 nan 0.000 0.488 353 P HA 0.071 nan 4.420 nan 0.000 0.257 353 P C 0.642 177.959 177.300 0.027 0.000 1.241 353 P CA 0.265 63.383 63.100 0.029 0.000 0.816 353 P CB 0.428 32.145 31.700 0.028 0.000 1.150 354 R N -0.260 120.253 120.500 0.021 0.000 2.193 354 R HA 0.026 4.365 4.340 -0.001 0.000 0.229 354 R C 0.303 176.617 176.300 0.024 0.000 1.110 354 R CA 0.955 57.067 56.100 0.019 0.000 0.988 354 R CB -0.665 29.642 30.300 0.013 0.000 0.871 354 R HN 0.139 nan 8.270 nan 0.000 0.458 355 L N -0.231 121.009 121.223 0.028 0.000 2.408 355 L HA 0.431 4.770 4.340 -0.001 0.000 0.268 355 L C -0.875 176.024 176.870 0.048 0.000 0.986 355 L CA -0.910 53.952 54.840 0.036 0.000 0.820 355 L CB 1.950 44.026 42.059 0.029 0.000 1.303 355 L HN -0.041 nan 8.230 nan 0.000 0.411 356 R N 3.102 123.636 120.500 0.058 0.000 2.248 356 R HA 0.718 5.058 4.340 -0.001 0.000 0.337 356 R C -1.069 175.282 176.300 0.085 0.000 1.106 356 R CA -0.167 55.973 56.100 0.066 0.000 0.959 356 R CB 0.403 30.739 30.300 0.061 0.000 1.075 356 R HN 0.719 nan 8.270 nan 0.000 0.480 357 A N 4.673 127.549 122.820 0.094 0.000 2.304 357 A HA 0.391 4.710 4.320 -0.001 0.000 0.314 357 A C -0.818 176.857 177.584 0.152 0.000 1.187 357 A CA -0.694 51.415 52.037 0.120 0.000 0.810 357 A CB 1.020 20.083 19.000 0.105 0.000 1.183 357 A HN 0.823 nan 8.150 nan 0.000 0.487 358 E N 0.211 120.504 120.200 0.155 0.000 2.299 358 E HA 0.729 5.078 4.350 -0.001 0.000 0.260 358 E C -1.448 175.179 176.600 0.046 0.000 0.944 358 E CA -0.606 55.844 56.400 0.084 0.000 0.815 358 E CB 2.107 31.902 29.700 0.159 0.000 1.252 358 E HN 0.727 nan 8.360 nan 0.000 0.418 359 Y N -2.321 117.947 120.300 -0.054 0.000 2.656 359 Y HA 0.697 5.246 4.550 -0.002 0.000 0.334 359 Y C -1.281 174.488 175.900 -0.218 0.000 1.179 359 Y CA -1.513 56.377 58.100 -0.351 0.000 1.050 359 Y CB 0.468 38.826 38.460 -0.170 0.000 1.308 359 Y HN 0.501 nan 8.280 nan 0.000 0.456 360 A N 1.784 124.534 122.820 -0.118 0.000 2.316 360 A HA 0.604 4.923 4.320 -0.001 0.000 0.284 360 A C -0.092 177.586 177.584 0.157 0.000 1.115 360 A CA -0.777 51.296 52.037 0.061 0.000 0.812 360 A CB 0.430 19.465 19.000 0.059 0.000 1.064 360 A HN 0.962 nan 8.150 nan 0.000 0.489 361 L N 0.835 122.126 121.223 0.114 0.000 2.685 361 L HA 0.381 4.720 4.340 -0.001 0.000 0.233 361 L C 0.663 177.559 176.870 0.043 0.000 1.173 361 L CA 0.465 55.361 54.840 0.093 0.000 0.961 361 L CB -0.317 41.776 42.059 0.057 0.000 1.217 361 L HN 0.816 nan 8.230 nan 0.000 0.478 362 A N -0.611 122.236 122.820 0.045 0.000 2.604 362 A HA 0.700 5.019 4.320 -0.001 0.000 0.295 362 A C -2.834 174.772 177.584 0.037 0.000 1.067 362 A CA -1.062 50.993 52.037 0.031 0.000 0.683 362 A CB 1.276 20.294 19.000 0.030 0.000 1.281 362 A HN -0.178 nan 8.150 nan 0.000 0.407 363 P HA 0.507 nan 4.420 nan 0.000 0.275 363 P C -0.808 176.520 177.300 0.047 0.000 1.228 363 P CA -0.123 62.998 63.100 0.036 0.000 0.786 363 P CB 0.558 32.273 31.700 0.025 0.000 0.927 364 R N 0.146 120.684 120.500 0.063 0.000 2.716 364 R HA 0.440 4.779 4.340 -0.001 0.000 0.271 364 R C -1.100 175.248 176.300 0.080 0.000 1.028 364 R CA -1.066 55.076 56.100 0.070 0.000 0.883 364 R CB 0.571 30.922 30.300 0.085 0.000 1.250 364 R HN 0.131 nan 8.270 nan 0.000 0.465 365 K N 1.113 121.554 120.400 0.067 0.000 2.414 365 K HA 0.097 4.416 4.320 -0.001 0.000 0.272 365 K C -1.764 174.896 176.600 0.099 0.000 0.993 365 K CA -1.404 54.917 56.287 0.057 0.000 0.964 365 K CB 0.663 33.187 32.500 0.040 0.000 0.925 365 K HN 0.318 nan 8.250 nan 0.000 0.487 366 P HA -0.247 nan 4.420 nan 0.000 0.215 366 P C 1.063 178.493 177.300 0.216 0.000 1.163 366 P CA 2.016 65.189 63.100 0.123 0.000 0.894 366 P CB 0.157 31.745 31.700 -0.188 0.000 0.791 367 A N -0.355 122.531 122.820 0.109 0.000 1.908 367 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 367 A C 2.075 179.729 177.584 0.116 0.000 1.181 367 A CA 2.179 54.280 52.037 0.107 0.000 0.627 367 A CB -1.126 17.909 19.000 0.058 0.000 0.818 367 A HN 0.182 nan 8.150 nan 0.000 0.445 368 K N -1.001 119.462 120.400 0.106 0.000 2.025 368 K HA -0.072 4.247 4.320 -0.001 0.000 0.207 368 K C 2.170 178.847 176.600 0.128 0.000 1.049 368 K CA 1.128 57.472 56.287 0.096 0.000 0.933 368 K CB -0.508 32.040 32.500 0.081 0.000 0.714 368 K HN 0.453 nan 8.250 nan 0.000 0.438 369 G N 1.463 110.372 108.800 0.182 0.000 2.432 369 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 369 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 369 G C 1.447 176.477 174.900 0.217 0.000 1.135 369 G CA 0.390 45.629 45.100 0.231 0.000 0.767 369 G HN 0.088 nan 8.290 nan 0.000 0.550 370 L N 0.655 122.003 121.223 0.208 0.000 2.093 370 L HA 0.059 4.398 4.340 -0.001 0.000 0.208 370 L C 2.671 179.591 176.870 0.083 0.000 1.085 370 L CA 2.285 57.218 54.840 0.155 0.000 0.755 370 L CB -0.465 41.722 42.059 0.213 0.000 0.904 370 L HN 0.465 nan 8.230 nan 0.000 0.435 371 E N -0.428 119.819 120.200 0.077 0.000 2.058 371 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 371 E C 1.915 178.508 176.600 -0.012 0.000 0.997 371 E CA 1.819 58.238 56.400 0.032 0.000 0.801 371 E CB -0.137 29.585 29.700 0.037 0.000 0.746 371 E HN 0.639 nan 8.360 nan 0.000 0.450 372 E N 0.026 120.219 120.200 -0.011 0.000 2.106 372 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 372 E C 2.041 178.450 176.600 -0.318 0.000 0.984 372 E CA 0.772 57.098 56.400 -0.122 0.000 0.806 372 E CB -0.115 29.554 29.700 -0.051 0.000 0.750 372 E HN 0.399 nan 8.360 nan 0.000 0.458 373 A N 0.969 123.658 122.820 -0.220 0.000 1.902 373 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 373 A C 2.099 179.585 177.584 -0.164 0.000 1.181 373 A CA 1.022 52.914 52.037 -0.242 0.000 0.623 373 A CB -0.412 18.619 19.000 0.052 0.000 0.818 373 A HN 0.126 nan 8.150 nan 0.000 0.443 374 L N -0.049 121.119 121.223 -0.092 0.000 2.056 374 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 374 L C 2.390 179.209 176.870 -0.086 0.000 1.078 374 L CA 2.259 57.059 54.840 -0.067 0.000 0.749 374 L CB -0.516 41.523 42.059 -0.034 0.000 0.901 374 L HN 0.508 nan 8.230 nan 0.000 0.433 375 K N -0.556 119.781 120.400 -0.105 0.000 2.280 375 K HA -0.144 4.175 4.320 -0.001 0.000 0.202 375 K C 1.703 178.226 176.600 -0.129 0.000 1.047 375 K CA 1.193 57.419 56.287 -0.103 0.000 0.942 375 K CB 0.069 32.508 32.500 -0.102 0.000 0.739 375 K HN 0.252 nan 8.250 nan 0.000 0.457 376 R N -1.038 119.350 120.500 -0.187 0.000 2.397 376 R HA 0.095 4.434 4.340 -0.001 0.000 0.241 376 R C 0.452 176.683 176.300 -0.115 0.000 0.914 376 R CA 0.479 56.470 56.100 -0.183 0.000 1.071 376 R CB 0.850 30.957 30.300 -0.321 0.000 1.116 376 R HN 0.367 nan 8.270 nan 0.000 0.524 377 G N 1.496 110.240 108.800 -0.092 0.000 2.249 377 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.273 377 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.273 377 G C 0.153 175.028 174.900 -0.041 0.000 1.036 377 G CA 0.273 45.340 45.100 -0.056 0.000 0.824 377 G HN 0.467 nan 8.290 nan 0.000 0.504 378 A N -0.606 122.185 122.820 -0.049 0.000 2.425 378 A HA 0.823 5.142 4.320 -0.001 0.000 0.249 378 A C 1.586 179.170 177.584 0.001 0.000 1.084 378 A CA 0.886 52.927 52.037 0.006 0.000 0.781 378 A CB 0.622 19.648 19.000 0.043 0.000 1.019 378 A HN 1.739 nan 8.150 nan 0.000 0.490 379 A N 2.120 124.962 122.820 0.036 0.000 1.855 379 A HA 0.361 4.680 4.320 -0.001 0.000 0.213 379 A C 0.359 177.836 177.584 -0.178 0.000 1.195 379 A CA 0.886 52.894 52.037 -0.049 0.000 0.610 379 A CB -0.212 18.823 19.000 0.058 0.000 0.837 379 A HN 0.691 nan 8.150 nan 0.000 0.444 380 F N -1.311 118.666 119.950 0.045 0.000 2.508 380 F HA 0.645 5.170 4.527 -0.003 0.000 0.325 380 F C 0.315 176.127 175.800 0.019 0.000 1.090 380 F CA -0.602 57.424 58.000 0.044 0.000 0.945 380 F CB 1.941 40.983 39.000 0.070 0.000 1.156 380 F HN 0.185 nan 8.300 nan 0.000 0.463 381 A N 1.647 124.558 122.820 0.152 0.000 2.317 381 A HA 0.789 5.108 4.320 -0.001 0.000 0.327 381 A C -0.203 177.283 177.584 -0.163 0.000 1.178 381 A CA -0.458 51.554 52.037 -0.041 0.000 0.817 381 A CB 0.709 19.606 19.000 -0.171 0.000 1.189 381 A HN 0.914 nan 8.150 nan 0.000 0.489 382 G N 0.925 109.571 108.800 -0.258 0.000 2.557 382 G HA2 0.583 4.542 3.960 -0.001 0.000 0.310 382 G HA3 0.583 4.542 3.960 -0.001 0.000 0.310 382 G C -1.086 173.618 174.900 -0.327 0.000 1.328 382 G CA -0.338 44.625 45.100 -0.228 0.000 0.945 382 G HN 0.388 nan 8.290 nan 0.000 0.494 383 F N 1.434 121.399 119.950 0.026 0.000 2.408 383 F HA 0.512 5.040 4.527 0.002 0.000 0.344 383 F C 0.465 176.262 175.800 -0.005 0.000 1.112 383 F CA -0.861 57.146 58.000 0.011 0.000 1.096 383 F CB 2.000 41.012 39.000 0.019 0.000 1.129 383 F HN 0.067 nan 8.300 nan 0.000 0.486 384 L N 3.818 125.151 121.223 0.183 0.000 2.417 384 L HA 0.540 4.879 4.340 -0.001 0.000 0.259 384 L C 0.239 177.156 176.870 0.079 0.000 1.023 384 L CA -0.306 54.589 54.840 0.090 0.000 0.901 384 L CB 0.852 42.930 42.059 0.031 0.000 1.227 384 L HN 0.805 nan 8.230 nan 0.000 0.454 385 G N 0.293 109.134 108.800 0.069 0.000 2.887 385 G HA2 0.287 4.246 3.960 -0.001 0.000 0.277 385 G HA3 0.287 4.246 3.960 -0.001 0.000 0.277 385 G C 0.440 175.353 174.900 0.022 0.000 1.346 385 G CA -0.199 44.923 45.100 0.038 0.000 1.058 385 G HN 0.377 nan 8.290 nan 0.000 0.535 386 E N 0.149 120.355 120.200 0.011 0.000 2.097 386 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 386 E C 1.927 178.530 176.600 0.005 0.000 1.000 386 E CA 1.407 57.811 56.400 0.007 0.000 0.804 386 E CB -0.079 29.622 29.700 0.002 0.000 0.740 386 E HN 0.485 nan 8.360 nan 0.000 0.454 387 D N 0.828 121.229 120.400 0.002 0.000 2.078 387 D HA -0.170 4.470 4.640 -0.001 0.000 0.193 387 D C 1.865 178.168 176.300 0.005 0.000 0.990 387 D CA 1.264 55.265 54.000 0.000 0.000 0.827 387 D CB -0.168 40.630 40.800 -0.005 0.000 0.975 387 D HN 0.379 nan 8.370 nan 0.000 0.451 388 E N 1.358 121.565 120.200 0.012 0.000 2.110 388 E HA -0.140 4.209 4.350 -0.001 0.000 0.193 388 E C 2.633 179.239 176.600 0.011 0.000 0.988 388 E CA 0.358 56.766 56.400 0.013 0.000 0.804 388 E CB -0.800 28.916 29.700 0.027 0.000 0.745 388 E HN 0.338 nan 8.360 nan 0.000 0.458 389 L N 0.441 121.672 121.223 0.014 0.000 2.012 389 L HA -0.146 4.193 4.340 -0.001 0.000 0.210 389 L C 3.027 179.902 176.870 0.009 0.000 1.073 389 L CA 1.530 56.378 54.840 0.014 0.000 0.748 389 L CB -0.338 41.731 42.059 0.016 0.000 0.891 389 L HN 0.076 nan 8.230 nan 0.000 0.431 390 R N -0.656 119.848 120.500 0.006 0.000 2.115 390 R HA -0.074 4.266 4.340 -0.001 0.000 0.230 390 R C 2.066 178.366 176.300 -0.000 0.000 1.111 390 R CA 1.137 57.239 56.100 0.003 0.000 0.976 390 R CB -0.165 30.136 30.300 0.002 0.000 0.870 390 R HN 0.336 nan 8.270 nan 0.000 0.445 391 A N -0.359 122.461 122.820 -0.000 0.000 2.218 391 A HA 0.191 4.511 4.320 -0.001 0.000 0.209 391 A C 1.256 178.837 177.584 -0.006 0.000 1.168 391 A CA 0.683 52.718 52.037 -0.004 0.000 0.804 391 A CB 0.036 19.034 19.000 -0.004 0.000 0.834 391 A HN 0.417 nan 8.150 nan 0.000 0.482 392 G N -0.294 108.504 108.800 -0.004 0.000 2.198 392 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.260 392 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.260 392 G C -0.119 174.774 174.900 -0.011 0.000 1.025 392 G CA 0.750 45.846 45.100 -0.007 0.000 0.769 392 G HN 0.655 nan 8.290 nan 0.000 0.507 393 E N -1.898 118.297 120.200 -0.009 0.000 2.412 393 E HA 0.801 5.150 4.350 -0.001 0.000 0.255 393 E C -0.453 176.141 176.600 -0.009 0.000 0.933 393 E CA -1.066 55.325 56.400 -0.016 0.000 0.823 393 E CB 2.440 32.130 29.700 -0.016 0.000 1.352 393 E HN 0.267 nan 8.360 nan 0.000 0.406 394 V N 0.422 120.326 119.914 -0.017 0.000 2.932 394 V HA 0.279 4.398 4.120 -0.001 0.000 0.307 394 V C -0.841 175.256 176.094 0.006 0.000 1.147 394 V CA -0.936 61.364 62.300 -0.001 0.000 0.951 394 V CB 2.220 34.028 31.823 -0.024 0.000 1.031 394 V HN 0.662 nan 8.190 nan 0.000 0.426 395 T N 5.507 120.106 114.554 0.075 0.000 2.832 395 T HA 0.576 4.925 4.350 -0.001 0.000 0.313 395 T C -0.196 174.582 174.700 0.131 0.000 1.035 395 T CA -0.101 62.074 62.100 0.126 0.000 0.950 395 T CB -0.015 68.996 68.868 0.239 0.000 0.984 395 T HN 0.341 nan 8.240 nan 0.000 0.486 396 L N 3.188 124.439 121.223 0.046 0.000 2.379 396 L HA 0.611 4.950 4.340 -0.001 0.000 0.269 396 L C 0.414 177.407 176.870 0.206 0.000 1.084 396 L CA -0.717 54.169 54.840 0.076 0.000 0.802 396 L CB 1.098 43.122 42.059 -0.058 0.000 1.175 396 L HN 0.387 nan 8.230 nan 0.000 0.448 397 K N 2.907 123.488 120.400 0.302 0.000 2.652 397 K HA 0.242 4.561 4.320 -0.001 0.000 0.249 397 K C -0.948 175.765 176.600 0.188 0.000 0.986 397 K CA -0.735 55.709 56.287 0.261 0.000 0.867 397 K CB 1.529 34.158 32.500 0.215 0.000 1.201 397 K HN 0.532 nan 8.250 nan 0.000 0.450 398 R N 5.750 126.280 120.500 0.049 0.000 2.351 398 R HA 0.089 4.428 4.340 -0.001 0.000 0.318 398 R C 0.839 177.006 176.300 -0.222 0.000 1.055 398 R CA -0.033 55.769 56.100 -0.496 0.000 0.968 398 R CB 0.362 30.340 30.300 -0.538 0.000 0.974 398 R HN 0.728 nan 8.270 nan 0.000 0.439 399 L N 4.130 125.221 121.223 -0.219 0.000 2.191 399 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 399 L C 2.349 179.165 176.870 -0.089 0.000 1.103 399 L CA 1.375 56.153 54.840 -0.102 0.000 0.769 399 L CB -0.527 41.483 42.059 -0.081 0.000 0.908 399 L HN 0.779 nan 8.230 nan 0.000 0.438 400 A N 0.227 122.970 122.820 -0.129 0.000 1.930 400 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 400 A C 2.365 179.916 177.584 -0.055 0.000 1.175 400 A CA 2.209 54.194 52.037 -0.086 0.000 0.627 400 A CB -0.565 18.377 19.000 -0.098 0.000 0.815 400 A HN 0.517 nan 8.150 nan 0.000 0.443 401 T N -6.194 108.327 114.554 -0.055 0.000 2.999 401 T HA 0.447 4.796 4.350 -0.001 0.000 0.247 401 T C 1.474 176.175 174.700 0.002 0.000 1.012 401 T CA 1.108 63.196 62.100 -0.020 0.000 1.048 401 T CB 0.453 69.315 68.868 -0.011 0.000 1.020 401 T HN 1.642 nan 8.240 nan 0.000 0.478 402 G N 1.512 110.315 108.800 0.004 0.000 2.179 402 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.220 402 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.220 402 G C -0.132 174.807 174.900 0.066 0.000 0.990 402 G CA 0.108 45.231 45.100 0.038 0.000 0.646 402 G HN 0.833 nan 8.290 nan 0.000 0.517 403 E N 0.796 121.036 120.200 0.067 0.000 2.480 403 E HA 0.294 4.644 4.350 -0.001 0.000 0.258 403 E C 0.177 176.866 176.600 0.149 0.000 0.984 403 E CA 0.302 56.765 56.400 0.105 0.000 0.930 403 E CB 0.240 30.014 29.700 0.123 0.000 0.936 403 E HN 0.501 nan 8.360 nan 0.000 0.466 404 Q N 3.128 123.008 119.800 0.134 0.000 2.337 404 Q HA 0.511 4.851 4.340 -0.001 0.000 0.266 404 Q C -1.712 174.345 176.000 0.096 0.000 1.023 404 Q CA -0.900 54.987 55.803 0.141 0.000 0.829 404 Q CB 1.944 30.760 28.738 0.130 0.000 1.306 404 Q HN 0.402 nan 8.270 nan 0.000 0.449 405 V N 2.865 122.810 119.914 0.052 0.000 2.841 405 V HA 0.548 4.667 4.120 -0.001 0.000 0.310 405 V C -1.053 174.992 176.094 -0.081 0.000 1.090 405 V CA -0.867 61.399 62.300 -0.057 0.000 0.930 405 V CB 2.092 33.769 31.823 -0.243 0.000 1.014 405 V HN 0.742 nan 8.190 nan 0.000 0.425 406 R N 4.771 125.226 120.500 -0.074 0.000 2.310 406 R HA 0.849 5.188 4.340 -0.001 0.000 0.324 406 R C -1.255 174.990 176.300 -0.092 0.000 0.955 406 R CA -0.306 55.760 56.100 -0.057 0.000 0.830 406 R CB 0.957 31.244 30.300 -0.021 0.000 1.154 406 R HN 0.796 nan 8.270 nan 0.000 0.458 407 L N 0.815 121.973 121.223 -0.108 0.000 2.479 407 L HA 0.715 5.055 4.340 -0.001 0.000 0.255 407 L C -0.682 176.145 176.870 -0.073 0.000 1.026 407 L CA -1.204 53.573 54.840 -0.105 0.000 0.842 407 L CB 2.070 44.026 42.059 -0.172 0.000 1.444 407 L HN 0.683 nan 8.230 nan 0.000 0.409 408 S N 0.031 115.699 115.700 -0.053 0.000 2.572 408 S HA 0.288 4.758 4.470 -0.001 0.000 0.279 408 S C 0.919 175.495 174.600 -0.040 0.000 1.341 408 S CA -0.375 57.802 58.200 -0.037 0.000 1.043 408 S CB 1.221 64.405 63.200 -0.027 0.000 0.887 408 S HN 0.843 nan 8.310 nan 0.000 0.516 409 R N 1.334 121.815 120.500 -0.032 0.000 2.133 409 R HA -0.198 4.141 4.340 -0.001 0.000 0.247 409 R C 2.000 178.283 176.300 -0.029 0.000 1.151 409 R CA 2.272 58.353 56.100 -0.031 0.000 0.971 409 R CB -0.488 29.797 30.300 -0.024 0.000 0.866 409 R HN 0.782 nan 8.270 nan 0.000 0.447 410 E N 0.357 120.542 120.200 -0.025 0.000 2.077 410 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 410 E C 1.732 178.324 176.600 -0.014 0.000 0.989 410 E CA 1.326 57.715 56.400 -0.019 0.000 0.800 410 E CB -0.021 29.669 29.700 -0.016 0.000 0.746 410 E HN 0.447 nan 8.360 nan 0.000 0.452 411 E N 0.356 120.547 120.200 -0.016 0.000 2.208 411 E HA -0.105 4.244 4.350 -0.001 0.000 0.193 411 E C 2.062 178.667 176.600 0.008 0.000 0.988 411 E CA 0.758 57.157 56.400 -0.001 0.000 0.828 411 E CB -0.002 29.692 29.700 -0.010 0.000 0.763 411 E HN 0.038 nan 8.360 nan 0.000 0.478 412 V N 1.746 121.643 119.914 -0.027 0.000 2.250 412 V HA -0.277 3.842 4.120 -0.001 0.000 0.253 412 V C -0.682 175.410 176.094 -0.004 0.000 1.065 412 V CA 2.417 64.695 62.300 -0.036 0.000 1.039 412 V CB -1.575 30.213 31.823 -0.058 0.000 0.647 412 V HN 0.222 nan 8.190 nan 0.000 0.446 413 P HA -0.135 nan 4.420 nan 0.000 0.215 413 P C 1.733 179.035 177.300 0.003 0.000 1.157 413 P CA 2.016 65.113 63.100 -0.005 0.000 0.868 413 P CB -0.400 31.296 31.700 -0.006 0.000 0.788 414 G N -1.407 107.404 108.800 0.017 0.000 2.421 414 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.216 414 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.216 414 G C 1.593 176.508 174.900 0.025 0.000 1.171 414 G CA 0.762 45.873 45.100 0.019 0.000 0.775 414 G HN 0.222 nan 8.290 nan 0.000 0.543 415 Y N 1.219 121.471 120.300 -0.080 0.000 2.097 415 Y HA -0.146 4.404 4.550 0.001 0.000 0.282 415 Y C 2.666 178.474 175.900 -0.155 0.000 1.152 415 Y CA 1.735 59.772 58.100 -0.105 0.000 1.136 415 Y CB -0.299 38.082 38.460 -0.132 0.000 0.975 415 Y HN 0.116 nan 8.280 nan 0.000 0.498 416 L N -0.568 120.617 121.223 -0.062 0.000 2.012 416 L HA -0.273 4.066 4.340 -0.001 0.000 0.210 416 L C 2.529 179.331 176.870 -0.113 0.000 1.073 416 L CA 1.438 56.156 54.840 -0.204 0.000 0.748 416 L CB -0.770 41.196 42.059 -0.155 0.000 0.891 416 L HN 0.314 nan 8.230 nan 0.000 0.431 417 L N -0.287 120.898 121.223 -0.064 0.000 2.017 417 L HA -0.253 4.087 4.340 -0.001 0.000 0.208 417 L C 2.787 179.628 176.870 -0.048 0.000 1.073 417 L CA 1.539 56.358 54.840 -0.035 0.000 0.745 417 L CB -0.442 41.605 42.059 -0.019 0.000 0.894 417 L HN 0.414 nan 8.230 nan 0.000 0.432 418 Q N -0.195 119.556 119.800 -0.083 0.000 2.230 418 Q HA -0.077 4.262 4.340 -0.001 0.000 0.202 418 Q C 1.777 177.715 176.000 -0.105 0.000 0.963 418 Q CA 1.531 57.283 55.803 -0.085 0.000 0.866 418 Q CB -0.466 28.218 28.738 -0.090 0.000 0.931 418 Q HN 0.336 nan 8.270 nan 0.000 0.452 419 A N -0.133 122.591 122.820 -0.160 0.000 2.218 419 A HA 0.309 4.628 4.320 -0.001 0.000 0.209 419 A C 1.514 179.123 177.584 0.042 0.000 1.168 419 A CA 0.378 52.354 52.037 -0.102 0.000 0.804 419 A CB 0.045 18.919 19.000 -0.211 0.000 0.834 419 A HN 0.381 nan 8.150 nan 0.000 0.482 420 L N -2.211 119.035 121.223 0.038 0.000 3.128 420 L HA 0.291 4.630 4.340 -0.001 0.000 0.277 420 L C 1.238 178.128 176.870 0.034 0.000 1.171 420 L CA 0.061 54.943 54.840 0.070 0.000 1.008 420 L CB 0.632 42.764 42.059 0.122 0.000 1.442 420 L HN 0.357 nan 8.230 nan 0.000 0.584 421 G N 0.000 108.808 108.800 0.013 0.000 5.446 421 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 421 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 421 G CA 0.000 45.105 45.100 0.009 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925