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 2g37_1_A DATA FIRST_RESID 5 DATA SEQUENCE LAYRSFVLGV AGHPQVERLI KHRAKGLVRR YVAGETLEEA LKAAEALERE DATA SEQUENCE GVHAILDLLG EMVRTEEEAR AFQRGLLELV WALAGKPWPK YISLKLTQLG DATA SEQUENCE LDLSEDLALA LLREVLREAE PRGVFVRLDM EDSPRVEATL RLYRALREEG DATA SEQUENCE FSQVGIVLQS YLYRTEKDLL DLLPYRPNLR LVKGAYREPK EVAFPDKRLI DATA SEQUENCE DAEYLHLGKL ALKEGLYVAF ATHDPRIIAE LKRYTEAMGI PRSRFEFQFL DATA SEQUENCE YGVRPEEQRR LAREGYTVRA YVPYGRDWYP YLTRRIAERP EN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.926 176.870 0.093 0.000 1.165 5 L CA 0.000 54.893 54.840 0.088 0.000 0.813 5 L CB 0.000 42.089 42.059 0.050 0.000 0.961 6 A N 0.190 123.064 122.820 0.090 0.000 1.933 6 A HA -0.137 4.164 4.320 -0.032 0.000 0.218 6 A C 2.137 179.798 177.584 0.128 0.000 1.175 6 A CA 2.080 54.168 52.037 0.085 0.000 0.628 6 A CB -1.024 18.009 19.000 0.055 0.000 0.814 6 A HN 0.718 nan 8.150 nan 0.000 0.444 7 Y N 0.678 121.001 120.300 0.039 0.000 2.145 7 Y HA -0.243 4.287 4.550 -0.033 0.000 0.286 7 Y C 2.503 178.468 175.900 0.109 0.000 1.145 7 Y CA 2.138 60.282 58.100 0.073 0.000 1.148 7 Y CB -0.272 38.207 38.460 0.032 0.000 0.981 7 Y HN 0.243 nan 8.280 nan 0.000 0.507 8 R N -0.220 120.348 120.500 0.113 0.000 2.083 8 R HA -0.179 4.142 4.340 -0.032 0.000 0.237 8 R C 2.499 178.758 176.300 -0.069 0.000 1.137 8 R CA 1.676 57.771 56.100 -0.009 0.000 0.951 8 R CB -0.784 29.558 30.300 0.069 0.000 0.851 8 R HN 0.293 nan 8.270 nan 0.000 0.434 9 S N 0.766 116.465 115.700 -0.002 0.000 2.359 9 S HA -0.183 4.268 4.470 -0.032 0.000 0.224 9 S C 1.547 176.146 174.600 -0.002 0.000 1.035 9 S CA 1.481 59.683 58.200 0.004 0.000 1.018 9 S CB -0.375 62.849 63.200 0.039 0.000 0.876 9 S HN 0.292 nan 8.310 nan 0.000 0.448 10 F N 3.086 122.957 119.950 -0.132 0.000 2.046 10 F HA -0.214 4.293 4.527 -0.033 0.000 0.297 10 F C 2.312 178.008 175.800 -0.173 0.000 1.123 10 F CA 1.842 59.759 58.000 -0.138 0.000 1.199 10 F CB -0.953 37.961 39.000 -0.142 0.000 0.972 10 F HN 0.098 nan 8.300 nan 0.000 0.474 11 V N -0.633 119.061 119.914 -0.367 0.000 2.287 11 V HA -0.271 3.830 4.120 -0.032 0.000 0.248 11 V C 2.318 178.216 176.094 -0.326 0.000 1.053 11 V CA 1.933 63.965 62.300 -0.447 0.000 1.027 11 V CB -1.563 30.001 31.823 -0.431 0.000 0.646 11 V HN 0.425 nan 8.190 nan 0.000 0.447 12 L N 2.057 123.140 121.223 -0.234 0.000 2.042 12 L HA 0.048 4.369 4.340 -0.032 0.000 0.210 12 L C 2.574 179.361 176.870 -0.138 0.000 1.076 12 L CA 2.314 57.060 54.840 -0.158 0.000 0.749 12 L CB -1.356 40.636 42.059 -0.112 0.000 0.893 12 L HN 0.467 nan 8.230 nan 0.000 0.432 13 G N -1.806 106.898 108.800 -0.161 0.000 2.484 13 G HA2 -0.099 3.842 3.960 -0.032 0.000 0.218 13 G HA3 -0.099 3.842 3.960 -0.032 0.000 0.218 13 G C 1.459 176.261 174.900 -0.163 0.000 1.130 13 G CA 0.961 45.984 45.100 -0.130 0.000 0.784 13 G HN 0.415 nan 8.290 nan 0.000 0.543 14 V N -2.298 117.436 119.914 -0.300 0.000 3.125 14 V HA 0.463 4.563 4.120 -0.032 0.000 0.249 14 V C 2.755 178.778 176.094 -0.118 0.000 1.113 14 V CA 1.151 63.284 62.300 -0.278 0.000 1.106 14 V CB -0.217 31.273 31.823 -0.554 0.000 0.768 14 V HN 0.275 nan 8.190 nan 0.000 0.468 15 A N 1.891 124.648 122.820 -0.106 0.000 1.917 15 A HA -0.056 4.244 4.320 -0.032 0.000 0.219 15 A C 2.344 180.036 177.584 0.180 0.000 1.182 15 A CA 2.267 54.330 52.037 0.043 0.000 0.633 15 A CB -1.560 17.403 19.000 -0.060 0.000 0.819 15 A HN 0.794 nan 8.150 nan 0.000 0.448 16 G N -1.577 107.276 108.800 0.089 0.000 2.470 16 G HA2 -0.167 3.774 3.960 -0.032 0.000 0.220 16 G HA3 -0.167 3.774 3.960 -0.032 0.000 0.220 16 G C 0.819 175.748 174.900 0.048 0.000 1.121 16 G CA 0.589 45.734 45.100 0.075 0.000 0.766 16 G HN 0.709 nan 8.290 nan 0.000 0.553 17 H N 1.703 120.756 119.070 -0.029 0.000 2.928 17 H HA 0.052 4.589 4.556 -0.032 0.000 0.338 17 H C -1.000 174.291 175.328 -0.061 0.000 1.047 17 H CA -1.096 54.926 56.048 -0.043 0.000 1.435 17 H CB 1.899 31.635 29.762 -0.044 0.000 1.428 17 H HN 0.049 nan 8.280 nan 0.000 0.590 18 P HA -0.111 nan 4.420 nan 0.000 0.218 18 P C 1.257 178.591 177.300 0.056 0.000 1.149 18 P CA 1.654 64.719 63.100 -0.058 0.000 0.817 18 P CB 0.129 31.755 31.700 -0.124 0.000 0.785 19 Q N 0.127 120.099 119.800 0.285 0.000 2.311 19 Q HA 0.036 4.356 4.340 -0.032 0.000 0.203 19 Q C 2.321 178.368 176.000 0.079 0.000 0.954 19 Q CA 1.206 57.109 55.803 0.166 0.000 0.885 19 Q CB -1.590 27.251 28.738 0.172 0.000 0.963 19 Q HN 0.136 nan 8.270 nan 0.000 0.471 20 V N 0.925 120.893 119.914 0.090 0.000 2.323 20 V HA -0.266 3.835 4.120 -0.032 0.000 0.244 20 V C 2.477 178.616 176.094 0.074 0.000 1.041 20 V CA 2.062 64.393 62.300 0.052 0.000 1.025 20 V CB -0.300 31.547 31.823 0.040 0.000 0.656 20 V HN 0.835 nan 8.190 nan 0.000 0.451 21 E N 0.670 120.859 120.200 -0.017 0.000 2.118 21 E HA -0.275 4.056 4.350 -0.032 0.000 0.195 21 E C 2.352 178.873 176.600 -0.131 0.000 0.992 21 E CA 2.034 58.261 56.400 -0.289 0.000 0.804 21 E CB -0.121 29.166 29.700 -0.688 0.000 0.741 21 E HN 0.548 nan 8.360 nan 0.000 0.458 22 R N 0.834 121.301 120.500 -0.056 0.000 2.148 22 R HA 0.015 4.336 4.340 -0.032 0.000 0.223 22 R C 2.181 178.510 176.300 0.049 0.000 1.088 22 R CA 1.332 57.431 56.100 -0.002 0.000 0.985 22 R CB -1.294 29.007 30.300 0.002 0.000 0.880 22 R HN 0.418 nan 8.270 nan 0.000 0.451 23 L N -0.468 120.791 121.223 0.060 0.000 2.095 23 L HA 0.094 4.415 4.340 -0.032 0.000 0.204 23 L C 2.418 179.355 176.870 0.112 0.000 1.080 23 L CA 1.167 56.051 54.840 0.073 0.000 0.759 23 L CB -0.105 41.990 42.059 0.059 0.000 0.914 23 L HN 0.360 nan 8.230 nan 0.000 0.439 24 I N 0.094 120.759 120.570 0.159 0.000 2.226 24 I HA -0.313 3.838 4.170 -0.032 0.000 0.245 24 I C 2.361 178.633 176.117 0.258 0.000 1.100 24 I CA 1.418 62.859 61.300 0.235 0.000 1.374 24 I CB -0.291 37.927 38.000 0.363 0.000 1.057 24 I HN 0.221 nan 8.210 nan 0.000 0.413 25 K N -0.428 120.126 120.400 0.256 0.000 2.283 25 K HA -0.162 4.139 4.320 -0.032 0.000 0.202 25 K C 2.020 178.721 176.600 0.167 0.000 1.048 25 K CA 1.532 57.983 56.287 0.274 0.000 0.948 25 K CB -0.265 32.375 32.500 0.234 0.000 0.742 25 K HN 0.652 nan 8.250 nan 0.000 0.458 26 H N -0.576 118.567 119.070 0.121 0.000 2.788 26 H HA 0.282 4.818 4.556 -0.032 0.000 0.262 26 H C 2.018 177.389 175.328 0.071 0.000 0.968 26 H CA 0.637 56.736 56.048 0.084 0.000 1.218 26 H CB 0.105 29.906 29.762 0.066 0.000 1.443 26 H HN 0.264 nan 8.280 nan 0.000 0.478 27 R N 0.003 120.551 120.500 0.080 0.000 2.487 27 R HA 0.750 5.071 4.340 -0.032 0.000 0.272 27 R C 1.354 177.697 176.300 0.070 0.000 0.928 27 R CA 0.905 57.044 56.100 0.065 0.000 1.077 27 R CB -0.647 29.689 30.300 0.059 0.000 1.265 27 R HN 1.087 nan 8.270 nan 0.000 0.537 28 A N 0.509 123.385 122.820 0.093 0.000 2.705 28 A HA 0.347 4.648 4.320 -0.032 0.000 0.294 28 A C 1.046 178.683 177.584 0.089 0.000 1.039 28 A CA -0.209 51.886 52.037 0.097 0.000 1.005 28 A CB -0.047 19.031 19.000 0.129 0.000 1.192 28 A HN 0.336 nan 8.150 nan 0.000 0.513 29 K N -0.184 120.253 120.400 0.061 0.000 2.103 29 K HA -0.129 4.172 4.320 -0.032 0.000 0.207 29 K C 2.067 178.665 176.600 -0.004 0.000 1.048 29 K CA 1.548 57.849 56.287 0.023 0.000 0.930 29 K CB -0.050 32.458 32.500 0.014 0.000 0.716 29 K HN 0.534 nan 8.250 nan 0.000 0.444 30 G N 1.499 110.301 108.800 0.002 0.000 2.422 30 G HA2 -0.227 3.714 3.960 -0.032 0.000 0.218 30 G HA3 -0.227 3.714 3.960 -0.032 0.000 0.218 30 G C 1.356 176.241 174.900 -0.024 0.000 1.146 30 G CA 0.206 45.293 45.100 -0.021 0.000 0.769 30 G HN 0.140 nan 8.290 nan 0.000 0.547 31 L N 0.832 122.071 121.223 0.027 0.000 2.027 31 L HA -0.068 4.253 4.340 -0.032 0.000 0.206 31 L C 2.972 179.913 176.870 0.118 0.000 1.074 31 L CA 1.465 56.352 54.840 0.077 0.000 0.745 31 L CB -0.582 41.556 42.059 0.132 0.000 0.898 31 L HN 0.168 nan 8.230 nan 0.000 0.433 32 V N 0.446 120.417 119.914 0.095 0.000 2.252 32 V HA -0.314 3.787 4.120 -0.032 0.000 0.249 32 V C 2.652 178.736 176.094 -0.018 0.000 1.056 32 V CA 2.001 64.324 62.300 0.038 0.000 1.022 32 V CB -0.797 30.917 31.823 -0.181 0.000 0.641 32 V HN 0.472 nan 8.190 nan 0.000 0.445 33 R N -0.361 120.100 120.500 -0.065 0.000 2.237 33 R HA -0.125 4.196 4.340 -0.032 0.000 0.219 33 R C 2.417 178.671 176.300 -0.077 0.000 1.080 33 R CA 1.053 57.122 56.100 -0.052 0.000 0.995 33 R CB -0.303 29.962 30.300 -0.058 0.000 0.875 33 R HN 0.476 nan 8.270 nan 0.000 0.462 34 R N -0.005 120.378 120.500 -0.195 0.000 2.096 34 R HA -0.161 4.159 4.340 -0.032 0.000 0.235 34 R C 0.816 176.752 176.300 -0.607 0.000 1.127 34 R CA 1.720 57.523 56.100 -0.496 0.000 0.968 34 R CB -0.106 29.803 30.300 -0.652 0.000 0.861 34 R HN 0.211 nan 8.270 nan 0.000 0.440 35 Y N -1.143 119.169 120.300 0.021 0.000 2.444 35 Y HA 0.271 4.810 4.550 -0.018 0.000 0.252 35 Y C 0.067 176.208 175.900 0.401 0.000 1.091 35 Y CA -0.057 58.167 58.100 0.208 0.000 1.276 35 Y CB 1.025 39.631 38.460 0.243 0.000 1.170 35 Y HN -0.009 nan 8.280 nan 0.000 0.517 36 V N -2.796 117.351 119.914 0.389 0.000 2.789 36 V HA 0.842 4.943 4.120 -0.032 0.000 0.311 36 V C 0.533 176.714 176.094 0.145 0.000 1.073 36 V CA -0.585 61.852 62.300 0.229 0.000 0.921 36 V CB 1.578 33.460 31.823 0.098 0.000 1.009 36 V HN -0.022 nan 8.190 nan 0.000 0.426 37 A N 2.969 125.815 122.820 0.042 0.000 1.969 37 A HA 0.618 4.919 4.320 -0.032 0.000 0.218 37 A C 1.509 179.063 177.584 -0.050 0.000 1.169 37 A CA 1.691 53.710 52.037 -0.029 0.000 0.635 37 A CB -0.694 18.215 19.000 -0.152 0.000 0.810 37 A HN 2.652 nan 8.150 nan 0.000 0.445 38 G N -2.073 106.680 108.800 -0.078 0.000 2.339 38 G HA2 0.176 4.117 3.960 -0.032 0.000 0.275 38 G HA3 0.176 4.117 3.960 -0.032 0.000 0.275 38 G C -0.145 174.735 174.900 -0.032 0.000 1.323 38 G CA 0.091 45.111 45.100 -0.133 0.000 0.927 38 G HN 0.035 nan 8.290 nan 0.000 0.486 39 E N -0.567 119.653 120.200 0.034 0.000 2.340 39 E HA 0.131 4.462 4.350 -0.032 0.000 0.194 39 E C 1.136 177.867 176.600 0.218 0.000 0.996 39 E CA 1.103 57.613 56.400 0.183 0.000 0.869 39 E CB 0.419 30.248 29.700 0.215 0.000 0.835 39 E HN 0.643 nan 8.360 nan 0.000 0.493 40 T N -1.505 113.141 114.554 0.153 0.000 2.918 40 T HA 0.220 4.550 4.350 -0.032 0.000 0.286 40 T C 0.854 175.559 174.700 0.008 0.000 1.026 40 T CA -0.820 61.353 62.100 0.122 0.000 1.031 40 T CB 1.993 70.891 68.868 0.050 0.000 1.046 40 T HN -0.100 nan 8.240 nan 0.000 0.479 41 L N 1.311 122.492 121.223 -0.070 0.000 2.043 41 L HA -0.048 4.273 4.340 -0.032 0.000 0.212 41 L C 2.277 178.975 176.870 -0.287 0.000 1.075 41 L CA 2.006 56.608 54.840 -0.397 0.000 0.752 41 L CB -1.241 40.723 42.059 -0.158 0.000 0.891 41 L HN 0.846 nan 8.230 nan 0.000 0.432 42 E N -0.055 120.069 120.200 -0.126 0.000 2.085 42 E HA -0.227 4.104 4.350 -0.032 0.000 0.194 42 E C 2.139 178.684 176.600 -0.093 0.000 0.994 42 E CA 1.751 58.104 56.400 -0.080 0.000 0.801 42 E CB -0.220 29.460 29.700 -0.032 0.000 0.743 42 E HN 0.627 nan 8.360 nan 0.000 0.453 43 E N 0.044 120.184 120.200 -0.100 0.000 2.107 43 E HA -0.095 4.236 4.350 -0.032 0.000 0.191 43 E C 2.013 178.526 176.600 -0.144 0.000 0.982 43 E CA 0.799 57.144 56.400 -0.091 0.000 0.809 43 E CB -0.109 29.554 29.700 -0.061 0.000 0.756 43 E HN 0.285 nan 8.360 nan 0.000 0.459 44 A N 1.139 123.806 122.820 -0.254 0.000 1.877 44 A HA -0.161 4.140 4.320 -0.032 0.000 0.216 44 A C 2.167 179.605 177.584 -0.245 0.000 1.186 44 A CA 1.071 52.902 52.037 -0.344 0.000 0.620 44 A CB -0.616 17.917 19.000 -0.778 0.000 0.822 44 A HN 0.133 nan 8.150 nan 0.000 0.443 45 L N -0.863 120.258 121.223 -0.170 0.000 2.093 45 L HA -0.181 4.140 4.340 -0.032 0.000 0.208 45 L C 2.543 179.406 176.870 -0.013 0.000 1.085 45 L CA 1.587 56.424 54.840 -0.005 0.000 0.755 45 L CB -0.450 41.646 42.059 0.063 0.000 0.904 45 L HN 0.332 nan 8.230 nan 0.000 0.435 46 K N 0.217 120.588 120.400 -0.048 0.000 2.063 46 K HA -0.162 4.139 4.320 -0.032 0.000 0.208 46 K C 2.272 178.819 176.600 -0.088 0.000 1.048 46 K CA 1.411 57.670 56.287 -0.046 0.000 0.928 46 K CB -0.266 32.213 32.500 -0.036 0.000 0.713 46 K HN 0.300 nan 8.250 nan 0.000 0.442 47 A N 1.357 124.101 122.820 -0.126 0.000 1.902 47 A HA -0.118 4.183 4.320 -0.032 0.000 0.217 47 A C 2.348 179.793 177.584 -0.232 0.000 1.181 47 A CA 1.833 53.778 52.037 -0.153 0.000 0.623 47 A CB -0.675 18.165 19.000 -0.268 0.000 0.818 47 A HN 0.341 nan 8.150 nan 0.000 0.443 48 A N -0.346 122.285 122.820 -0.316 0.000 1.933 48 A HA -0.145 4.155 4.320 -0.032 0.000 0.218 48 A C 1.926 179.113 177.584 -0.662 0.000 1.175 48 A CA 1.602 53.328 52.037 -0.517 0.000 0.628 48 A CB -0.422 18.191 19.000 -0.645 0.000 0.814 48 A HN 0.498 nan 8.150 nan 0.000 0.444 49 E N 0.007 119.938 120.200 -0.448 0.000 2.077 49 E HA -0.165 4.165 4.350 -0.032 0.000 0.193 49 E C 2.331 178.799 176.600 -0.220 0.000 0.989 49 E CA 1.248 57.461 56.400 -0.312 0.000 0.800 49 E CB -0.503 29.164 29.700 -0.055 0.000 0.746 49 E HN 0.600 nan 8.360 nan 0.000 0.452 50 A N 1.212 123.938 122.820 -0.157 0.000 1.898 50 A HA -0.111 4.190 4.320 -0.032 0.000 0.216 50 A C 2.388 179.907 177.584 -0.109 0.000 1.181 50 A CA 0.896 52.875 52.037 -0.096 0.000 0.620 50 A CB -0.660 18.312 19.000 -0.046 0.000 0.819 50 A HN 0.139 nan 8.150 nan 0.000 0.442 51 L N -0.500 120.640 121.223 -0.137 0.000 2.012 51 L HA -0.200 4.121 4.340 -0.032 0.000 0.210 51 L C 2.665 179.423 176.870 -0.187 0.000 1.073 51 L CA 1.453 56.212 54.840 -0.134 0.000 0.748 51 L CB -0.601 41.380 42.059 -0.130 0.000 0.891 51 L HN 0.339 nan 8.230 nan 0.000 0.431 52 E N 0.287 120.323 120.200 -0.273 0.000 2.118 52 E HA -0.216 4.115 4.350 -0.032 0.000 0.195 52 E C 2.285 178.805 176.600 -0.133 0.000 0.992 52 E CA 1.107 57.363 56.400 -0.240 0.000 0.804 52 E CB -0.211 29.258 29.700 -0.384 0.000 0.741 52 E HN 0.458 nan 8.360 nan 0.000 0.458 53 R N 0.648 121.080 120.500 -0.113 0.000 2.200 53 R HA -0.097 4.223 4.340 -0.032 0.000 0.234 53 R C 1.393 177.657 176.300 -0.061 0.000 1.127 53 R CA 0.809 56.871 56.100 -0.063 0.000 0.989 53 R CB 0.034 30.303 30.300 -0.051 0.000 0.869 53 R HN 0.203 nan 8.270 nan 0.000 0.459 54 E N -0.661 119.489 120.200 -0.083 0.000 2.465 54 E HA 0.111 4.442 4.350 -0.032 0.000 0.195 54 E C 0.743 177.287 176.600 -0.093 0.000 1.028 54 E CA 0.424 56.777 56.400 -0.078 0.000 0.899 54 E CB 1.134 30.785 29.700 -0.081 0.000 1.032 54 E HN 0.456 nan 8.360 nan 0.000 0.468 55 G N 1.188 109.918 108.800 -0.117 0.000 2.143 55 G HA2 -0.271 3.670 3.960 -0.032 0.000 0.249 55 G HA3 -0.271 3.670 3.960 -0.032 0.000 0.249 55 G C 0.304 175.028 174.900 -0.293 0.000 0.981 55 G CA 0.349 45.357 45.100 -0.153 0.000 0.665 55 G HN 0.188 nan 8.290 nan 0.000 0.528 56 V N 2.305 122.043 119.914 -0.292 0.000 2.547 56 V HA 0.625 4.726 4.120 -0.032 0.000 0.299 56 V C 0.415 176.278 176.094 -0.385 0.000 1.040 56 V CA -1.203 60.913 62.300 -0.306 0.000 0.913 56 V CB 1.637 33.381 31.823 -0.132 0.000 0.992 56 V HN 0.343 nan 8.190 nan 0.000 0.449 57 H N 1.935 121.011 119.070 0.011 0.000 2.517 57 H HA 0.795 5.334 4.556 -0.028 0.000 0.346 57 H C 0.001 175.300 175.328 -0.047 0.000 1.222 57 H CA -0.457 55.580 56.048 -0.019 0.000 1.314 57 H CB 1.911 31.709 29.762 0.061 0.000 1.609 57 H HN 0.757 nan 8.280 nan 0.000 0.571 58 A N 1.519 124.365 122.820 0.043 0.000 2.350 58 A HA 0.576 4.876 4.320 -0.032 0.000 0.324 58 A C -0.422 177.121 177.584 -0.068 0.000 1.118 58 A CA -0.662 51.336 52.037 -0.066 0.000 0.783 58 A CB 0.602 19.486 19.000 -0.193 0.000 1.236 58 A HN 0.580 nan 8.150 nan 0.000 0.457 59 I N 2.614 123.076 120.570 -0.180 0.000 2.355 59 I HA 0.271 4.422 4.170 -0.032 0.000 0.288 59 I C -0.701 175.278 176.117 -0.229 0.000 0.999 59 I CA -0.191 60.926 61.300 -0.304 0.000 1.163 59 I CB 1.432 39.115 38.000 -0.529 0.000 1.316 59 I HN 0.484 nan 8.210 nan 0.000 0.454 60 L N 5.795 126.970 121.223 -0.080 0.000 2.276 60 L HA 0.359 4.679 4.340 -0.032 0.000 0.286 60 L C -0.532 176.303 176.870 -0.058 0.000 1.061 60 L CA -0.190 54.624 54.840 -0.043 0.000 0.807 60 L CB 0.972 43.060 42.059 0.049 0.000 1.177 60 L HN 0.551 nan 8.230 nan 0.000 0.429 61 D N 3.810 124.132 120.400 -0.131 0.000 2.454 61 D HA 0.261 4.882 4.640 -0.032 0.000 0.247 61 D C -0.779 175.375 176.300 -0.243 0.000 1.129 61 D CA -0.591 53.275 54.000 -0.224 0.000 0.877 61 D CB 1.205 41.679 40.800 -0.543 0.000 1.082 61 D HN 0.161 nan 8.370 nan 0.000 0.537 62 L N 4.492 125.546 121.223 -0.282 0.000 2.462 62 L HA 0.313 4.634 4.340 -0.032 0.000 0.272 62 L C -1.136 175.614 176.870 -0.200 0.000 1.166 62 L CA 0.364 54.830 54.840 -0.624 0.000 0.880 62 L CB 0.220 41.938 42.059 -0.569 0.000 1.142 62 L HN 0.476 nan 8.230 nan 0.000 0.473 63 L N 5.558 126.626 121.223 -0.258 0.000 2.309 63 L HA 0.803 5.124 4.340 -0.032 0.000 0.282 63 L C 0.522 177.475 176.870 0.139 0.000 1.036 63 L CA -0.316 54.539 54.840 0.026 0.000 0.806 63 L CB 1.500 43.560 42.059 0.002 0.000 1.220 63 L HN 0.816 nan 8.230 nan 0.000 0.429 64 G N 1.424 110.403 108.800 0.298 0.000 2.692 64 G HA2 0.389 4.329 3.960 -0.032 0.000 0.291 64 G HA3 0.389 4.329 3.960 -0.032 0.000 0.291 64 G C -1.224 173.754 174.900 0.129 0.000 1.423 64 G CA -0.607 44.656 45.100 0.271 0.000 0.843 64 G HN 0.504 nan 8.290 nan 0.000 0.486 65 E N 0.379 120.632 120.200 0.089 0.000 2.436 65 E HA -0.023 4.307 4.350 -0.032 0.000 0.262 65 E C 0.433 177.028 176.600 -0.007 0.000 1.063 65 E CA 0.075 56.496 56.400 0.035 0.000 0.944 65 E CB 0.873 30.590 29.700 0.028 0.000 0.950 65 E HN 0.474 nan 8.360 nan 0.000 0.444 66 M N 2.503 122.089 119.600 -0.024 0.000 2.327 66 M HA -0.040 4.421 4.480 -0.032 0.000 0.353 66 M C -0.733 175.531 176.300 -0.059 0.000 1.539 66 M CA 0.040 55.306 55.300 -0.055 0.000 1.039 66 M CB 0.310 32.891 32.600 -0.031 0.000 1.967 66 M HN 0.202 nan 8.290 nan 0.000 0.459 67 V N 7.553 127.404 119.914 -0.105 0.000 2.572 67 V HA 0.070 4.171 4.120 -0.032 0.000 0.291 67 V C 0.928 176.990 176.094 -0.054 0.000 1.039 67 V CA 0.603 62.853 62.300 -0.082 0.000 1.055 67 V CB 0.935 32.675 31.823 -0.138 0.000 0.969 67 V HN 0.941 nan 8.190 nan 0.000 0.482 68 R N 1.695 122.178 120.500 -0.029 0.000 2.556 68 R HA 0.177 4.498 4.340 -0.032 0.000 0.276 68 R C 0.346 176.638 176.300 -0.015 0.000 0.931 68 R CA 0.345 56.432 56.100 -0.022 0.000 1.061 68 R CB 1.084 31.375 30.300 -0.016 0.000 1.432 68 R HN 0.816 nan 8.270 nan 0.000 0.547 69 T N -3.031 111.518 114.554 -0.009 0.000 2.883 69 T HA 0.207 4.538 4.350 -0.032 0.000 0.296 69 T C 0.715 175.417 174.700 0.002 0.000 1.117 69 T CA -0.883 61.216 62.100 -0.002 0.000 1.006 69 T CB 2.576 71.446 68.868 0.004 0.000 1.191 69 T HN 0.022 nan 8.240 nan 0.000 0.508 70 E N 0.269 120.472 120.200 0.005 0.000 2.118 70 E HA -0.230 4.101 4.350 -0.032 0.000 0.195 70 E C 1.378 177.989 176.600 0.019 0.000 0.992 70 E CA 1.679 58.084 56.400 0.009 0.000 0.804 70 E CB -0.028 29.677 29.700 0.008 0.000 0.741 70 E HN 0.736 nan 8.360 nan 0.000 0.458 71 E N 0.767 120.979 120.200 0.020 0.000 2.077 71 E HA -0.173 4.158 4.350 -0.032 0.000 0.193 71 E C 1.911 178.533 176.600 0.038 0.000 0.989 71 E CA 1.441 57.857 56.400 0.027 0.000 0.800 71 E CB -0.068 29.645 29.700 0.023 0.000 0.746 71 E HN 0.366 nan 8.360 nan 0.000 0.452 72 E N 0.300 120.521 120.200 0.035 0.000 2.077 72 E HA -0.163 4.168 4.350 -0.032 0.000 0.193 72 E C 2.051 178.698 176.600 0.077 0.000 0.989 72 E CA 0.931 57.362 56.400 0.052 0.000 0.800 72 E CB -0.174 29.544 29.700 0.031 0.000 0.746 72 E HN 0.279 nan 8.360 nan 0.000 0.452 73 A N 1.579 124.429 122.820 0.049 0.000 1.883 73 A HA -0.230 4.070 4.320 -0.032 0.000 0.217 73 A C 2.068 179.711 177.584 0.099 0.000 1.186 73 A CA 1.521 53.594 52.037 0.060 0.000 0.624 73 A CB -0.439 18.572 19.000 0.020 0.000 0.822 73 A HN 0.092 nan 8.150 nan 0.000 0.444 74 R N -0.629 119.911 120.500 0.067 0.000 2.092 74 R HA -0.034 4.287 4.340 -0.032 0.000 0.231 74 R C 2.450 178.789 176.300 0.065 0.000 1.119 74 R CA 1.069 57.204 56.100 0.058 0.000 0.970 74 R CB -0.464 29.861 30.300 0.042 0.000 0.864 74 R HN 0.519 nan 8.270 nan 0.000 0.440 75 A N 0.755 123.622 122.820 0.078 0.000 1.933 75 A HA -0.187 4.114 4.320 -0.032 0.000 0.218 75 A C 1.930 179.558 177.584 0.073 0.000 1.175 75 A CA 1.074 53.153 52.037 0.070 0.000 0.628 75 A CB -0.538 18.507 19.000 0.075 0.000 0.814 75 A HN 0.327 nan 8.150 nan 0.000 0.444 76 F N 0.227 120.167 119.950 -0.018 0.000 2.128 76 F HA -0.142 4.365 4.527 -0.032 0.000 0.295 76 F C 2.552 178.324 175.800 -0.047 0.000 1.100 76 F CA 2.040 60.022 58.000 -0.030 0.000 1.260 76 F CB -0.246 38.737 39.000 -0.029 0.000 1.009 76 F HN 0.323 nan 8.300 nan 0.000 0.476 77 Q N 0.597 120.464 119.800 0.112 0.000 2.112 77 Q HA -0.305 4.016 4.340 -0.032 0.000 0.206 77 Q C 2.507 178.427 176.000 -0.133 0.000 0.987 77 Q CA 2.484 58.280 55.803 -0.011 0.000 0.858 77 Q CB -0.186 28.562 28.738 0.017 0.000 0.905 77 Q HN 0.488 nan 8.270 nan 0.000 0.420 78 R N 0.125 120.569 120.500 -0.094 0.000 2.091 78 R HA -0.106 4.215 4.340 -0.032 0.000 0.238 78 R C 2.347 178.543 176.300 -0.173 0.000 1.136 78 R CA 1.848 57.884 56.100 -0.106 0.000 0.959 78 R CB -2.114 28.178 30.300 -0.014 0.000 0.856 78 R HN 0.608 nan 8.270 nan 0.000 0.437 79 G N 0.872 109.545 108.800 -0.211 0.000 2.469 79 G HA2 -0.212 3.729 3.960 -0.032 0.000 0.219 79 G HA3 -0.212 3.729 3.960 -0.032 0.000 0.219 79 G C 1.731 176.456 174.900 -0.291 0.000 1.150 79 G CA 1.089 46.030 45.100 -0.265 0.000 0.763 79 G HN 0.465 nan 8.290 nan 0.000 0.561 80 L N -0.270 120.735 121.223 -0.364 0.000 2.109 80 L HA 0.098 4.419 4.340 -0.032 0.000 0.207 80 L C 2.886 179.541 176.870 -0.358 0.000 1.086 80 L CA 0.260 54.919 54.840 -0.301 0.000 0.760 80 L CB -0.329 41.584 42.059 -0.242 0.000 0.910 80 L HN 0.181 nan 8.230 nan 0.000 0.437 81 L N -0.365 120.558 121.223 -0.501 0.000 2.046 81 L HA -0.221 4.100 4.340 -0.032 0.000 0.208 81 L C 2.483 178.701 176.870 -1.087 0.000 1.077 81 L CA 1.340 55.583 54.840 -0.994 0.000 0.747 81 L CB -0.482 40.869 42.059 -1.179 0.000 0.896 81 L HN 0.273 nan 8.230 nan 0.000 0.432 82 E N -0.043 119.862 120.200 -0.492 0.000 2.085 82 E HA -0.279 4.052 4.350 -0.032 0.000 0.194 82 E C 2.059 178.620 176.600 -0.064 0.000 0.994 82 E CA 1.289 57.639 56.400 -0.082 0.000 0.801 82 E CB -0.182 29.528 29.700 0.017 0.000 0.743 82 E HN 0.237 nan 8.360 nan 0.000 0.453 83 L N 0.550 121.704 121.223 -0.115 0.000 2.012 83 L HA -0.174 4.146 4.340 -0.032 0.000 0.210 83 L C 2.197 179.018 176.870 -0.081 0.000 1.073 83 L CA 1.511 56.314 54.840 -0.062 0.000 0.748 83 L CB -0.502 41.553 42.059 -0.007 0.000 0.891 83 L HN -0.025 nan 8.230 nan 0.000 0.431 84 V N -1.108 118.691 119.914 -0.192 0.000 2.287 84 V HA -0.284 3.817 4.120 -0.032 0.000 0.248 84 V C 2.336 178.407 176.094 -0.039 0.000 1.053 84 V CA 1.993 64.192 62.300 -0.169 0.000 1.027 84 V CB -0.902 30.740 31.823 -0.301 0.000 0.646 84 V HN 0.561 nan 8.190 nan 0.000 0.447 85 W N -0.021 121.266 121.300 -0.022 0.000 2.402 85 W HA -0.009 4.631 4.660 -0.033 0.000 0.286 85 W C 2.649 179.144 176.519 -0.041 0.000 1.221 85 W CA 1.165 58.493 57.345 -0.029 0.000 1.257 85 W CB -1.238 28.208 29.460 -0.023 0.000 1.120 85 W HN 0.323 nan 8.180 nan 0.000 0.551 86 A N 0.070 122.982 122.820 0.153 0.000 1.929 86 A HA -0.078 4.223 4.320 -0.032 0.000 0.216 86 A C 2.088 179.670 177.584 -0.004 0.000 1.176 86 A CA 1.010 53.083 52.037 0.060 0.000 0.628 86 A CB -0.928 18.089 19.000 0.029 0.000 0.816 86 A HN 0.209 nan 8.150 nan 0.000 0.444 87 L N -0.257 120.954 121.223 -0.019 0.000 2.362 87 L HA 0.010 4.331 4.340 -0.032 0.000 0.219 87 L C 1.572 178.358 176.870 -0.141 0.000 1.134 87 L CA 0.116 54.898 54.840 -0.097 0.000 0.807 87 L CB -0.440 41.591 42.059 -0.045 0.000 0.927 87 L HN 0.383 nan 8.230 nan 0.000 0.447 88 A N 0.013 122.803 122.820 -0.050 0.000 2.524 88 A HA 0.373 4.673 4.320 -0.032 0.000 0.250 88 A C 1.417 178.942 177.584 -0.099 0.000 1.078 88 A CA 0.631 52.642 52.037 -0.044 0.000 0.761 88 A CB -0.312 18.706 19.000 0.030 0.000 1.012 88 A HN 0.555 nan 8.150 nan 0.000 0.500 89 G N 1.764 110.487 108.800 -0.128 0.000 2.199 89 G HA2 -0.224 3.717 3.960 -0.032 0.000 0.254 89 G HA3 -0.224 3.717 3.960 -0.032 0.000 0.254 89 G C 0.407 175.171 174.900 -0.227 0.000 0.982 89 G CA 0.408 45.425 45.100 -0.138 0.000 0.632 89 G HN 0.742 nan 8.290 nan 0.000 0.529 90 K N 0.938 121.111 120.400 -0.377 0.000 2.489 90 K HA 0.224 4.525 4.320 -0.032 0.000 0.278 90 K C -1.130 175.068 176.600 -0.669 0.000 1.000 90 K CA -0.952 54.917 56.287 -0.696 0.000 1.012 90 K CB 1.004 32.701 32.500 -1.339 0.000 0.903 90 K HN 0.102 nan 8.250 nan 0.000 0.485 91 P HA -0.101 nan 4.420 nan 0.000 0.220 91 P C 0.029 177.241 177.300 -0.147 0.000 1.148 91 P CA 1.120 64.078 63.100 -0.237 0.000 0.803 91 P CB 0.081 31.760 31.700 -0.034 0.000 0.782 92 W N -0.491 120.828 121.300 0.032 0.000 2.390 92 W HA 0.502 5.153 4.660 -0.015 0.000 0.362 92 W C -2.554 173.978 176.519 0.022 0.000 1.206 92 W CA -2.967 54.405 57.345 0.044 0.000 1.355 92 W CB -1.344 28.167 29.460 0.085 0.000 1.278 92 W HN -0.272 nan 8.180 nan 0.000 0.653 93 P HA 0.078 nan 4.420 nan 0.000 0.264 93 P C -0.874 176.625 177.300 0.331 0.000 1.193 93 P CA 0.329 63.535 63.100 0.175 0.000 0.763 93 P CB 0.475 32.146 31.700 -0.048 0.000 0.810 94 K N 3.260 123.791 120.400 0.219 0.000 2.293 94 K HA 0.441 4.741 4.320 -0.032 0.000 0.267 94 K C -0.912 175.880 176.600 0.320 0.000 1.010 94 K CA -0.483 55.953 56.287 0.248 0.000 0.875 94 K CB 1.453 34.003 32.500 0.084 0.000 1.106 94 K HN 0.516 nan 8.250 nan 0.000 0.450 95 Y N 4.561 124.980 120.300 0.198 0.000 2.362 95 Y HA 0.418 4.951 4.550 -0.029 0.000 0.326 95 Y C -1.206 174.792 175.900 0.163 0.000 1.083 95 Y CA -1.337 56.904 58.100 0.235 0.000 1.073 95 Y CB 1.104 39.698 38.460 0.223 0.000 1.211 95 Y HN 0.613 nan 8.280 nan 0.000 0.433 96 I N 1.724 122.590 120.570 0.494 0.000 2.740 96 I HA 0.761 4.912 4.170 -0.032 0.000 0.303 96 I C -1.215 175.091 176.117 0.316 0.000 1.044 96 I CA -0.645 60.827 61.300 0.287 0.000 1.064 96 I CB 2.366 40.438 38.000 0.121 0.000 1.249 96 I HN 0.427 nan 8.210 nan 0.000 0.433 97 S N 4.537 120.352 115.700 0.191 0.000 2.532 97 S HA 0.886 5.337 4.470 -0.032 0.000 0.301 97 S C -0.753 173.944 174.600 0.161 0.000 1.083 97 S CA -0.633 57.698 58.200 0.219 0.000 1.025 97 S CB 1.693 65.044 63.200 0.252 0.000 1.056 97 S HN 0.627 nan 8.310 nan 0.000 0.494 98 L N 0.519 121.845 121.223 0.171 0.000 2.469 98 L HA 0.741 5.062 4.340 -0.032 0.000 0.256 98 L C -1.237 175.716 176.870 0.138 0.000 1.006 98 L CA -0.886 54.058 54.840 0.174 0.000 0.832 98 L CB 1.377 43.532 42.059 0.158 0.000 1.421 98 L HN 0.333 nan 8.230 nan 0.000 0.410 99 K N 1.467 121.928 120.400 0.101 0.000 2.213 99 K HA 0.508 4.809 4.320 -0.032 0.000 0.270 99 K C 0.606 177.194 176.600 -0.019 0.000 1.002 99 K CA -0.555 55.755 56.287 0.037 0.000 0.868 99 K CB 1.884 34.390 32.500 0.010 0.000 1.093 99 K HN 0.670 nan 8.250 nan 0.000 0.454 100 L N 1.675 122.891 121.223 -0.012 0.000 2.187 100 L HA -0.226 4.095 4.340 -0.032 0.000 0.213 100 L C 2.312 179.146 176.870 -0.061 0.000 1.100 100 L CA 1.626 56.449 54.840 -0.029 0.000 0.765 100 L CB -0.760 41.286 42.059 -0.022 0.000 0.904 100 L HN 0.839 nan 8.230 nan 0.000 0.437 101 T N -4.095 110.414 114.554 -0.076 0.000 2.915 101 T HA -0.175 4.155 4.350 -0.032 0.000 0.269 101 T C 1.764 176.366 174.700 -0.163 0.000 1.071 101 T CA 0.645 62.687 62.100 -0.097 0.000 1.132 101 T CB -0.136 68.682 68.868 -0.083 0.000 0.878 101 T HN 0.255 nan 8.240 nan 0.000 0.479 102 Q N 0.712 120.351 119.800 -0.268 0.000 2.369 102 Q HA 0.239 4.559 4.340 -0.032 0.000 0.206 102 Q C 1.898 177.723 176.000 -0.292 0.000 0.963 102 Q CA 0.567 56.050 55.803 -0.533 0.000 0.894 102 Q CB -0.228 27.777 28.738 -1.221 0.000 0.965 102 Q HN 0.575 nan 8.270 nan 0.000 0.475 103 L N -0.410 120.746 121.223 -0.110 0.000 2.653 103 L HA 0.207 4.527 4.340 -0.032 0.000 0.232 103 L C 0.784 177.639 176.870 -0.026 0.000 1.169 103 L CA 0.245 55.077 54.840 -0.013 0.000 0.951 103 L CB -0.174 41.892 42.059 0.012 0.000 1.181 103 L HN 0.238 nan 8.230 nan 0.000 0.460 104 G N 0.417 109.185 108.800 -0.053 0.000 2.137 104 G HA2 -0.314 3.627 3.960 -0.032 0.000 0.237 104 G HA3 -0.314 3.627 3.960 -0.032 0.000 0.237 104 G C 0.710 175.590 174.900 -0.035 0.000 1.002 104 G CA 0.388 45.465 45.100 -0.038 0.000 0.702 104 G HN 0.302 nan 8.290 nan 0.000 0.515 105 L N 0.713 121.911 121.223 -0.042 0.000 2.021 105 L HA -0.035 4.286 4.340 -0.032 0.000 0.215 105 L C 2.182 179.031 176.870 -0.035 0.000 1.074 105 L CA 3.081 57.899 54.840 -0.036 0.000 0.760 105 L CB -0.290 41.744 42.059 -0.041 0.000 0.889 105 L HN 0.262 nan 8.230 nan 0.000 0.433 106 D N -0.942 119.434 120.400 -0.040 0.000 2.310 106 D HA -0.111 4.510 4.640 -0.032 0.000 0.212 106 D C 2.228 178.512 176.300 -0.028 0.000 0.965 106 D CA 1.082 55.060 54.000 -0.036 0.000 0.879 106 D CB -0.011 40.766 40.800 -0.039 0.000 0.921 106 D HN 0.424 nan 8.370 nan 0.000 0.510 107 L N -0.889 120.319 121.223 -0.026 0.000 2.145 107 L HA 0.087 4.407 4.340 -0.032 0.000 0.201 107 L C 0.955 177.816 176.870 -0.015 0.000 1.075 107 L CA 0.342 55.170 54.840 -0.019 0.000 0.773 107 L CB 0.147 42.196 42.059 -0.017 0.000 0.936 107 L HN -0.101 nan 8.230 nan 0.000 0.451 108 S N -1.363 114.328 115.700 -0.016 0.000 2.548 108 S HA 0.168 4.618 4.470 -0.032 0.000 0.278 108 S C 0.162 174.753 174.600 -0.014 0.000 1.150 108 S CA -0.706 57.487 58.200 -0.012 0.000 0.907 108 S CB 1.324 64.520 63.200 -0.008 0.000 1.108 108 S HN 0.239 nan 8.310 nan 0.000 0.459 109 E N 2.168 122.361 120.200 -0.013 0.000 2.110 109 E HA -0.164 4.167 4.350 -0.032 0.000 0.193 109 E C 0.601 177.195 176.600 -0.010 0.000 0.988 109 E CA 1.520 57.912 56.400 -0.013 0.000 0.804 109 E CB -0.074 29.620 29.700 -0.011 0.000 0.745 109 E HN 0.670 nan 8.360 nan 0.000 0.458 110 D N 0.706 121.103 120.400 -0.006 0.000 2.123 110 D HA -0.165 4.456 4.640 -0.032 0.000 0.196 110 D C 1.893 178.191 176.300 -0.004 0.000 0.992 110 D CA 0.643 54.641 54.000 -0.003 0.000 0.833 110 D CB -0.234 40.566 40.800 0.000 0.000 0.954 110 D HN 0.052 nan 8.370 nan 0.000 0.455 111 L N 0.781 122.001 121.223 -0.005 0.000 1.976 111 L HA -0.094 4.227 4.340 -0.032 0.000 0.209 111 L C 2.131 178.996 176.870 -0.008 0.000 1.071 111 L CA 2.138 56.976 54.840 -0.004 0.000 0.746 111 L CB -0.962 41.095 42.059 -0.003 0.000 0.890 111 L HN 0.009 nan 8.230 nan 0.000 0.432 112 A N -0.634 122.178 122.820 -0.013 0.000 1.917 112 A HA -0.250 4.051 4.320 -0.032 0.000 0.219 112 A C 2.274 179.843 177.584 -0.025 0.000 1.182 112 A CA 2.200 54.226 52.037 -0.018 0.000 0.633 112 A CB -1.143 17.843 19.000 -0.023 0.000 0.819 112 A HN 0.534 nan 8.150 nan 0.000 0.448 113 L N -0.356 120.853 121.223 -0.023 0.000 2.017 113 L HA -0.047 4.274 4.340 -0.032 0.000 0.208 113 L C 2.720 179.570 176.870 -0.032 0.000 1.073 113 L CA 2.292 57.114 54.840 -0.030 0.000 0.745 113 L CB -0.906 41.143 42.059 -0.016 0.000 0.894 113 L HN 0.350 nan 8.230 nan 0.000 0.432 114 A N -0.363 122.448 122.820 -0.015 0.000 1.883 114 A HA -0.209 4.092 4.320 -0.032 0.000 0.217 114 A C 2.267 179.840 177.584 -0.018 0.000 1.186 114 A CA 2.251 54.283 52.037 -0.007 0.000 0.624 114 A CB -1.028 17.974 19.000 0.004 0.000 0.822 114 A HN 0.525 nan 8.150 nan 0.000 0.444 115 L N -1.282 119.930 121.223 -0.018 0.000 2.056 115 L HA -0.154 4.167 4.340 -0.032 0.000 0.207 115 L C 2.577 179.415 176.870 -0.053 0.000 1.078 115 L CA 1.160 55.988 54.840 -0.021 0.000 0.749 115 L CB -0.608 41.451 42.059 -0.001 0.000 0.901 115 L HN 0.457 nan 8.230 nan 0.000 0.433 116 L N 0.280 121.462 121.223 -0.069 0.000 2.046 116 L HA -0.208 4.112 4.340 -0.032 0.000 0.208 116 L C 2.752 179.499 176.870 -0.205 0.000 1.077 116 L CA 1.689 56.458 54.840 -0.119 0.000 0.747 116 L CB -0.702 41.291 42.059 -0.111 0.000 0.896 116 L HN 0.137 nan 8.230 nan 0.000 0.432 117 R N -0.338 120.046 120.500 -0.193 0.000 2.103 117 R HA -0.213 4.108 4.340 -0.032 0.000 0.242 117 R C 2.138 178.332 176.300 -0.177 0.000 1.142 117 R CA 2.066 58.011 56.100 -0.259 0.000 0.960 117 R CB -0.278 29.972 30.300 -0.083 0.000 0.858 117 R HN 0.564 nan 8.270 nan 0.000 0.439 118 E N -0.308 119.845 120.200 -0.079 0.000 2.085 118 E HA -0.178 4.153 4.350 -0.032 0.000 0.194 118 E C 2.034 178.592 176.600 -0.071 0.000 0.994 118 E CA 1.601 57.983 56.400 -0.030 0.000 0.801 118 E CB -0.018 29.678 29.700 -0.006 0.000 0.743 118 E HN 0.183 nan 8.360 nan 0.000 0.453 119 V N 1.684 121.521 119.914 -0.129 0.000 2.287 119 V HA -0.272 3.829 4.120 -0.032 0.000 0.248 119 V C 2.330 178.321 176.094 -0.172 0.000 1.053 119 V CA 1.570 63.771 62.300 -0.165 0.000 1.027 119 V CB -0.469 31.257 31.823 -0.162 0.000 0.646 119 V HN 0.289 nan 8.190 nan 0.000 0.447 120 L N -0.820 120.243 121.223 -0.267 0.000 2.141 120 L HA -0.149 4.172 4.340 -0.032 0.000 0.209 120 L C 2.774 179.606 176.870 -0.064 0.000 1.094 120 L CA 1.467 56.113 54.840 -0.324 0.000 0.763 120 L CB -0.638 40.910 42.059 -0.852 0.000 0.908 120 L HN 0.255 nan 8.230 nan 0.000 0.437 121 R N -0.111 120.401 120.500 0.021 0.000 2.081 121 R HA -0.139 4.182 4.340 -0.032 0.000 0.235 121 R C 2.217 178.599 176.300 0.137 0.000 1.131 121 R CA 1.129 57.352 56.100 0.204 0.000 0.960 121 R CB -0.092 30.321 30.300 0.187 0.000 0.856 121 R HN 0.353 nan 8.270 nan 0.000 0.436 122 E N 0.228 120.480 120.200 0.087 0.000 2.107 122 E HA -0.079 4.252 4.350 -0.032 0.000 0.191 122 E C 1.899 178.546 176.600 0.079 0.000 0.982 122 E CA 1.052 57.530 56.400 0.129 0.000 0.809 122 E CB -0.110 29.661 29.700 0.118 0.000 0.756 122 E HN 0.311 nan 8.360 nan 0.000 0.459 123 A N 1.424 124.249 122.820 0.009 0.000 1.855 123 A HA -0.197 4.104 4.320 -0.032 0.000 0.215 123 A C 2.172 179.778 177.584 0.036 0.000 1.191 123 A CA 1.672 53.705 52.037 -0.007 0.000 0.613 123 A CB -0.487 18.475 19.000 -0.064 0.000 0.829 123 A HN 0.252 nan 8.150 nan 0.000 0.442 124 E N -0.230 120.011 120.200 0.068 0.000 2.077 124 E HA -0.127 4.204 4.350 -0.032 0.000 0.193 124 E C -0.773 175.869 176.600 0.071 0.000 0.989 124 E CA 1.344 57.797 56.400 0.088 0.000 0.800 124 E CB -0.574 29.219 29.700 0.155 0.000 0.746 124 E HN 0.436 nan 8.360 nan 0.000 0.452 125 P HA -0.105 nan 4.420 nan 0.000 0.222 125 P C 0.436 177.763 177.300 0.044 0.000 1.147 125 P CA 1.173 64.306 63.100 0.055 0.000 0.790 125 P CB 0.083 31.822 31.700 0.065 0.000 0.780 126 R N -1.753 118.777 120.500 0.050 0.000 2.334 126 R HA 0.301 4.621 4.340 -0.032 0.000 0.216 126 R C 1.067 177.376 176.300 0.016 0.000 0.905 126 R CA 0.551 56.673 56.100 0.035 0.000 1.064 126 R CB -0.249 30.085 30.300 0.057 0.000 1.046 126 R HN 0.091 nan 8.270 nan 0.000 0.508 127 G N 1.101 109.917 108.800 0.027 0.000 2.176 127 G HA2 -0.245 3.695 3.960 -0.032 0.000 0.252 127 G HA3 -0.245 3.695 3.960 -0.032 0.000 0.252 127 G C -0.004 174.924 174.900 0.046 0.000 1.024 127 G CA 0.099 45.216 45.100 0.028 0.000 0.755 127 G HN 0.145 nan 8.290 nan 0.000 0.507 128 V N 0.749 120.693 119.914 0.049 0.000 2.383 128 V HA 0.593 4.694 4.120 -0.032 0.000 0.275 128 V C 0.395 176.536 176.094 0.078 0.000 1.036 128 V CA -0.798 61.542 62.300 0.066 0.000 0.889 128 V CB 1.217 33.056 31.823 0.028 0.000 0.985 128 V HN 0.352 nan 8.190 nan 0.000 0.459 129 F N 5.846 125.763 119.950 -0.055 0.000 2.384 129 F HA 0.624 5.131 4.527 -0.033 0.000 0.338 129 F C -0.084 175.621 175.800 -0.157 0.000 1.103 129 F CA -0.209 57.703 58.000 -0.148 0.000 1.157 129 F CB 1.286 40.116 39.000 -0.284 0.000 1.167 129 F HN 0.254 nan 8.300 nan 0.000 0.529 130 V N 6.384 125.754 119.914 -0.906 0.000 2.444 130 V HA 0.433 4.534 4.120 -0.032 0.000 0.294 130 V C -0.555 175.098 176.094 -0.735 0.000 1.022 130 V CA -0.868 61.102 62.300 -0.550 0.000 0.850 130 V CB 1.448 33.070 31.823 -0.334 0.000 0.992 130 V HN 0.667 nan 8.190 nan 0.000 0.426 131 R N 4.536 124.876 120.500 -0.268 0.000 2.312 131 R HA 0.562 4.883 4.340 -0.032 0.000 0.311 131 R C -0.869 175.452 176.300 0.035 0.000 1.004 131 R CA -0.361 55.720 56.100 -0.032 0.000 0.902 131 R CB 0.796 31.307 30.300 0.353 0.000 1.073 131 R HN 0.719 nan 8.270 nan 0.000 0.457 132 L N 4.688 125.915 121.223 0.007 0.000 2.295 132 L HA 0.256 4.577 4.340 -0.032 0.000 0.288 132 L C -0.294 176.621 176.870 0.074 0.000 1.079 132 L CA -0.614 54.245 54.840 0.031 0.000 0.830 132 L CB 0.705 42.764 42.059 0.000 0.000 1.200 132 L HN 0.541 nan 8.230 nan 0.000 0.438 133 D N 3.224 123.699 120.400 0.126 0.000 2.455 133 D HA 0.111 4.732 4.640 -0.032 0.000 0.241 133 D C 0.096 176.460 176.300 0.105 0.000 1.138 133 D CA 0.146 54.236 54.000 0.151 0.000 0.877 133 D CB 0.987 41.911 40.800 0.208 0.000 1.187 133 D HN 0.230 nan 8.370 nan 0.000 0.451 134 M N 2.335 121.997 119.600 0.104 0.000 2.146 134 M HA 0.145 4.606 4.480 -0.032 0.000 0.357 134 M C 0.323 176.709 176.300 0.142 0.000 1.261 134 M CA 0.209 55.560 55.300 0.085 0.000 1.106 134 M CB 0.565 33.206 32.600 0.068 0.000 1.612 134 M HN 0.284 nan 8.290 nan 0.000 0.470 135 E N 1.329 121.546 120.200 0.029 0.000 3.751 135 E HA 0.248 4.578 4.350 -0.032 0.000 0.281 135 E C -0.577 175.722 176.600 -0.502 0.000 1.086 135 E CA -0.750 55.560 56.400 -0.149 0.000 1.579 135 E CB 0.341 29.950 29.700 -0.152 0.000 1.666 135 E HN 0.744 nan 8.360 nan 0.000 0.655 136 D N -0.192 119.683 120.400 -0.875 0.000 2.433 136 D HA -0.040 4.580 4.640 -0.032 0.000 0.255 136 D C 0.911 177.037 176.300 -0.290 0.000 1.226 136 D CA -0.047 53.515 54.000 -0.729 0.000 1.015 136 D CB 0.749 41.112 40.800 -0.727 0.000 1.091 136 D HN 0.346 nan 8.370 nan 0.000 0.527 137 S N -1.042 114.542 115.700 -0.193 0.000 2.382 137 S HA -0.084 4.367 4.470 -0.032 0.000 0.228 137 S C -0.950 173.587 174.600 -0.104 0.000 1.027 137 S CA 0.568 58.695 58.200 -0.122 0.000 0.991 137 S CB -1.505 61.617 63.200 -0.129 0.000 0.823 137 S HN 0.382 nan 8.310 nan 0.000 0.469 138 P HA 0.034 nan 4.420 nan 0.000 0.228 138 P C 1.027 178.279 177.300 -0.079 0.000 1.151 138 P CA 0.903 63.952 63.100 -0.085 0.000 0.770 138 P CB -0.072 31.578 31.700 -0.084 0.000 0.786 139 R N -1.764 118.677 120.500 -0.099 0.000 2.334 139 R HA 0.132 4.453 4.340 -0.032 0.000 0.212 139 R C 1.674 177.938 176.300 -0.061 0.000 0.897 139 R CA -0.033 56.018 56.100 -0.082 0.000 1.056 139 R CB -0.158 30.080 30.300 -0.104 0.000 1.046 139 R HN 0.047 nan 8.270 nan 0.000 0.513 140 V N 1.080 120.960 119.914 -0.056 0.000 2.295 140 V HA -0.251 3.850 4.120 -0.032 0.000 0.246 140 V C 2.127 178.206 176.094 -0.026 0.000 1.049 140 V CA 2.044 64.323 62.300 -0.036 0.000 1.024 140 V CB -0.263 31.544 31.823 -0.026 0.000 0.648 140 V HN 0.231 nan 8.190 nan 0.000 0.447 141 E N 0.468 120.653 120.200 -0.024 0.000 2.051 141 E HA -0.184 4.147 4.350 -0.032 0.000 0.192 141 E C 2.192 178.785 176.600 -0.012 0.000 0.991 141 E CA 1.637 58.028 56.400 -0.015 0.000 0.799 141 E CB -0.547 29.145 29.700 -0.014 0.000 0.748 141 E HN 0.521 nan 8.360 nan 0.000 0.449 142 A N -0.483 122.326 122.820 -0.018 0.000 1.933 142 A HA -0.197 4.104 4.320 -0.032 0.000 0.218 142 A C 2.399 179.977 177.584 -0.010 0.000 1.175 142 A CA 2.146 54.174 52.037 -0.015 0.000 0.628 142 A CB -1.006 17.981 19.000 -0.021 0.000 0.814 142 A HN 0.357 nan 8.150 nan 0.000 0.444 143 T N 0.540 115.086 114.554 -0.014 0.000 2.737 143 T HA -0.074 4.257 4.350 -0.032 0.000 0.265 143 T C 1.806 176.515 174.700 0.015 0.000 1.038 143 T CA 1.453 63.549 62.100 -0.006 0.000 1.144 143 T CB -0.388 68.469 68.868 -0.018 0.000 0.866 143 T HN 0.382 nan 8.240 nan 0.000 0.434 144 L N 0.327 121.552 121.223 0.003 0.000 2.083 144 L HA -0.072 4.249 4.340 -0.032 0.000 0.209 144 L C 2.937 179.824 176.870 0.029 0.000 1.083 144 L CA 1.244 56.096 54.840 0.020 0.000 0.752 144 L CB -0.527 41.528 42.059 -0.007 0.000 0.899 144 L HN 0.172 nan 8.230 nan 0.000 0.433 145 R N -0.150 120.355 120.500 0.009 0.000 2.083 145 R HA -0.191 4.129 4.340 -0.032 0.000 0.237 145 R C 2.266 178.564 176.300 -0.004 0.000 1.137 145 R CA 1.388 57.488 56.100 -0.000 0.000 0.951 145 R CB -0.467 29.833 30.300 -0.000 0.000 0.851 145 R HN 0.182 nan 8.270 nan 0.000 0.434 146 L N -0.526 120.701 121.223 0.007 0.000 2.046 146 L HA -0.212 4.109 4.340 -0.032 0.000 0.208 146 L C 2.225 179.094 176.870 -0.002 0.000 1.077 146 L CA 1.595 56.434 54.840 -0.001 0.000 0.747 146 L CB -0.837 41.221 42.059 -0.003 0.000 0.896 146 L HN 0.167 nan 8.230 nan 0.000 0.432 147 Y N 0.599 120.842 120.300 -0.095 0.000 2.053 147 Y HA -0.323 4.207 4.550 -0.032 0.000 0.277 147 Y C 2.790 178.602 175.900 -0.147 0.000 1.159 147 Y CA 1.811 59.840 58.100 -0.119 0.000 1.125 147 Y CB -0.277 38.100 38.460 -0.138 0.000 0.969 147 Y HN 0.019 nan 8.280 nan 0.000 0.492 148 R N 0.004 120.305 120.500 -0.331 0.000 2.083 148 R HA -0.199 4.121 4.340 -0.032 0.000 0.237 148 R C 2.533 178.717 176.300 -0.193 0.000 1.137 148 R CA 1.315 57.116 56.100 -0.499 0.000 0.951 148 R CB -0.872 29.213 30.300 -0.359 0.000 0.851 148 R HN 0.503 nan 8.270 nan 0.000 0.434 149 A N 1.353 124.118 122.820 -0.092 0.000 1.892 149 A HA -0.176 4.125 4.320 -0.032 0.000 0.218 149 A C 2.228 179.814 177.584 0.004 0.000 1.188 149 A CA 1.383 53.410 52.037 -0.017 0.000 0.631 149 A CB -0.657 18.341 19.000 -0.004 0.000 0.822 149 A HN 0.200 nan 8.150 nan 0.000 0.447 150 L N -1.226 119.979 121.223 -0.030 0.000 2.056 150 L HA -0.179 4.142 4.340 -0.032 0.000 0.207 150 L C 2.897 179.842 176.870 0.125 0.000 1.078 150 L CA 0.982 55.875 54.840 0.087 0.000 0.749 150 L CB -0.506 41.524 42.059 -0.049 0.000 0.901 150 L HN 0.284 nan 8.230 nan 0.000 0.433 151 R N 0.617 121.050 120.500 -0.112 0.000 2.080 151 R HA -0.193 4.128 4.340 -0.032 0.000 0.236 151 R C 2.035 178.359 176.300 0.040 0.000 1.137 151 R CA 1.546 57.606 56.100 -0.067 0.000 0.943 151 R CB -0.782 29.413 30.300 -0.175 0.000 0.846 151 R HN 0.484 nan 8.270 nan 0.000 0.431 152 E N 0.582 120.825 120.200 0.072 0.000 2.265 152 E HA -0.166 4.165 4.350 -0.032 0.000 0.196 152 E C 1.563 178.170 176.600 0.011 0.000 0.996 152 E CA 0.840 57.276 56.400 0.059 0.000 0.832 152 E CB -0.010 29.739 29.700 0.083 0.000 0.756 152 E HN 0.478 nan 8.360 nan 0.000 0.491 153 E N -0.907 119.306 120.200 0.022 0.000 2.481 153 E HA 0.006 4.336 4.350 -0.032 0.000 0.195 153 E C 0.984 177.455 176.600 -0.214 0.000 1.047 153 E CA 0.351 56.728 56.400 -0.038 0.000 0.867 153 E CB 0.474 30.218 29.700 0.074 0.000 0.858 153 E HN 0.371 nan 8.360 nan 0.000 0.513 154 G N 0.638 109.334 108.800 -0.173 0.000 2.184 154 G HA2 -0.218 3.723 3.960 -0.032 0.000 0.206 154 G HA3 -0.218 3.723 3.960 -0.032 0.000 0.206 154 G C -0.066 174.665 174.900 -0.282 0.000 0.995 154 G CA -0.585 44.372 45.100 -0.238 0.000 0.651 154 G HN 0.112 nan 8.290 nan 0.000 0.511 155 F N 1.730 121.655 119.950 -0.042 0.000 2.471 155 F HA 0.492 4.999 4.527 -0.032 0.000 0.353 155 F C 1.644 177.421 175.800 -0.039 0.000 1.113 155 F CA 0.657 58.629 58.000 -0.046 0.000 1.262 155 F CB 1.706 40.666 39.000 -0.067 0.000 1.146 155 F HN 0.180 nan 8.300 nan 0.000 0.578 156 S N -0.295 115.510 115.700 0.175 0.000 2.663 156 S HA 0.054 4.505 4.470 -0.032 0.000 0.247 156 S C 0.637 175.324 174.600 0.145 0.000 1.074 156 S CA -0.342 57.934 58.200 0.128 0.000 0.955 156 S CB 0.102 63.357 63.200 0.092 0.000 0.901 156 S HN 0.540 nan 8.310 nan 0.000 0.505 157 Q N 2.071 121.939 119.800 0.113 0.000 2.642 157 Q HA 0.456 4.777 4.340 -0.032 0.000 0.319 157 Q C -0.684 175.097 176.000 -0.364 0.000 1.030 157 Q CA 0.045 55.890 55.803 0.070 0.000 0.943 157 Q CB 0.289 29.092 28.738 0.109 0.000 1.323 157 Q HN 0.421 nan 8.270 nan 0.000 0.419 158 V N -0.799 118.940 119.914 -0.291 0.000 2.686 158 V HA 0.873 4.974 4.120 -0.032 0.000 0.306 158 V C -0.598 175.424 176.094 -0.121 0.000 1.065 158 V CA -0.537 61.519 62.300 -0.406 0.000 0.894 158 V CB 1.949 33.681 31.823 -0.152 0.000 1.004 158 V HN 0.433 nan 8.190 nan 0.000 0.424 159 G N 5.282 113.936 108.800 -0.243 0.000 2.630 159 G HA2 0.802 4.743 3.960 -0.032 0.000 0.296 159 G HA3 0.802 4.743 3.960 -0.032 0.000 0.296 159 G C -1.018 173.840 174.900 -0.070 0.000 1.285 159 G CA -0.638 44.506 45.100 0.074 0.000 0.958 159 G HN 1.194 nan 8.290 nan 0.000 0.479 160 I N -2.464 118.009 120.570 -0.162 0.000 3.067 160 I HA 0.851 5.002 4.170 -0.032 0.000 0.312 160 I C -0.917 175.157 176.117 -0.071 0.000 1.073 160 I CA -1.383 59.788 61.300 -0.215 0.000 1.016 160 I CB 2.313 40.025 38.000 -0.481 0.000 1.227 160 I HN 0.237 nan 8.210 nan 0.000 0.456 161 V N 3.751 123.637 119.914 -0.046 0.000 2.540 161 V HA 0.517 4.618 4.120 -0.032 0.000 0.302 161 V C -0.190 175.889 176.094 -0.025 0.000 1.035 161 V CA -0.470 61.830 62.300 -0.001 0.000 0.873 161 V CB 1.624 33.479 31.823 0.052 0.000 0.992 161 V HN 0.518 nan 8.190 nan 0.000 0.428 162 L N 4.260 125.464 121.223 -0.031 0.000 2.346 162 L HA 0.621 4.941 4.340 -0.032 0.000 0.274 162 L C -0.488 176.379 176.870 -0.006 0.000 1.007 162 L CA -0.614 54.214 54.840 -0.019 0.000 0.818 162 L CB 2.221 44.256 42.059 -0.040 0.000 1.284 162 L HN 0.617 nan 8.230 nan 0.000 0.424 163 Q N 0.232 120.057 119.800 0.041 0.000 2.322 163 Q HA 0.201 4.522 4.340 -0.032 0.000 0.265 163 Q C 0.647 176.720 176.000 0.122 0.000 0.985 163 Q CA -0.384 55.436 55.803 0.028 0.000 0.849 163 Q CB 2.126 30.891 28.738 0.045 0.000 1.274 163 Q HN 0.731 nan 8.270 nan 0.000 0.449 164 S N 2.162 117.922 115.700 0.100 0.000 2.481 164 S HA -0.177 4.274 4.470 -0.032 0.000 0.231 164 S C 1.512 176.368 174.600 0.427 0.000 0.996 164 S CA 0.723 59.048 58.200 0.208 0.000 0.942 164 S CB -0.361 62.940 63.200 0.168 0.000 0.768 164 S HN 0.832 nan 8.310 nan 0.000 0.520 165 Y N 0.695 121.137 120.300 0.236 0.000 2.571 165 Y HA 0.410 4.941 4.550 -0.031 0.000 0.294 165 Y C 0.489 176.460 175.900 0.117 0.000 1.141 165 Y CA -0.808 57.475 58.100 0.305 0.000 1.308 165 Y CB -0.405 38.153 38.460 0.162 0.000 1.002 165 Y HN 0.142 nan 8.280 nan 0.000 0.551 166 L N 1.347 122.777 121.223 0.345 0.000 2.305 166 L HA 0.106 4.427 4.340 -0.032 0.000 0.281 166 L C 0.707 177.492 176.870 -0.140 0.000 1.085 166 L CA -0.934 53.841 54.840 -0.108 0.000 0.813 166 L CB 0.542 42.605 42.059 0.006 0.000 1.157 166 L HN 0.100 nan 8.230 nan 0.000 0.436 167 Y N 2.206 122.301 120.300 -0.342 0.000 2.193 167 Y HA -0.250 4.281 4.550 -0.032 0.000 0.285 167 Y C 2.461 178.318 175.900 -0.073 0.000 1.166 167 Y CA 1.403 59.321 58.100 -0.304 0.000 1.181 167 Y CB -0.623 37.650 38.460 -0.311 0.000 0.976 167 Y HN 0.574 nan 8.280 nan 0.000 0.520 168 R N -0.987 119.573 120.500 0.099 0.000 2.280 168 R HA -0.038 4.283 4.340 -0.032 0.000 0.207 168 R C 1.615 177.963 176.300 0.080 0.000 1.043 168 R CA 1.392 57.537 56.100 0.075 0.000 1.006 168 R CB -1.059 29.264 30.300 0.038 0.000 0.885 168 R HN 0.072 nan 8.270 nan 0.000 0.467 169 T N 1.527 116.142 114.554 0.103 0.000 2.708 169 T HA -0.200 4.131 4.350 -0.032 0.000 0.266 169 T C 1.542 176.292 174.700 0.083 0.000 1.037 169 T CA 1.749 63.905 62.100 0.094 0.000 1.146 169 T CB -0.147 68.793 68.868 0.120 0.000 0.865 169 T HN 0.503 nan 8.240 nan 0.000 0.435 170 E N 1.007 121.279 120.200 0.120 0.000 2.058 170 E HA -0.225 4.106 4.350 -0.032 0.000 0.194 170 E C 2.254 178.898 176.600 0.073 0.000 0.997 170 E CA 1.317 57.776 56.400 0.099 0.000 0.801 170 E CB -0.083 29.717 29.700 0.165 0.000 0.746 170 E HN 0.415 nan 8.360 nan 0.000 0.450 171 K N 0.249 120.695 120.400 0.077 0.000 2.057 171 K HA -0.192 4.109 4.320 -0.032 0.000 0.207 171 K C 1.679 178.311 176.600 0.053 0.000 1.049 171 K CA 1.831 58.155 56.287 0.061 0.000 0.931 171 K CB -0.016 32.517 32.500 0.056 0.000 0.714 171 K HN 0.097 nan 8.250 nan 0.000 0.440 172 D N 1.296 121.724 120.400 0.047 0.000 2.116 172 D HA -0.225 4.395 4.640 -0.032 0.000 0.193 172 D C 1.872 178.192 176.300 0.034 0.000 0.998 172 D CA 0.878 54.898 54.000 0.035 0.000 0.836 172 D CB -0.298 40.514 40.800 0.020 0.000 0.951 172 D HN 0.185 nan 8.370 nan 0.000 0.449 173 L N 0.450 121.688 121.223 0.026 0.000 1.989 173 L HA -0.191 4.129 4.340 -0.032 0.000 0.211 173 L C 2.205 179.100 176.870 0.041 0.000 1.071 173 L CA 1.359 56.210 54.840 0.018 0.000 0.749 173 L CB -0.569 41.486 42.059 -0.007 0.000 0.890 173 L HN 0.049 nan 8.230 nan 0.000 0.431 174 L N 0.374 121.623 121.223 0.044 0.000 1.989 174 L HA -0.245 4.075 4.340 -0.032 0.000 0.211 174 L C 2.449 179.363 176.870 0.073 0.000 1.071 174 L CA 1.746 56.618 54.840 0.053 0.000 0.749 174 L CB -1.473 40.617 42.059 0.051 0.000 0.890 174 L HN 0.277 nan 8.230 nan 0.000 0.431 175 D N -0.590 119.856 120.400 0.077 0.000 2.172 175 D HA -0.208 4.413 4.640 -0.032 0.000 0.196 175 D C 2.304 178.701 176.300 0.161 0.000 0.999 175 D CA 1.186 55.247 54.000 0.102 0.000 0.856 175 D CB -0.118 40.735 40.800 0.088 0.000 0.934 175 D HN 0.285 nan 8.370 nan 0.000 0.453 176 L N 0.130 121.446 121.223 0.155 0.000 2.492 176 L HA 0.054 4.374 4.340 -0.032 0.000 0.223 176 L C 2.218 179.257 176.870 0.282 0.000 1.132 176 L CA -0.091 54.897 54.840 0.246 0.000 0.850 176 L CB 0.003 42.144 42.059 0.136 0.000 0.966 176 L HN 0.030 nan 8.230 nan 0.000 0.454 177 L N 0.348 121.672 121.223 0.168 0.000 2.043 177 L HA -0.204 4.117 4.340 -0.032 0.000 0.212 177 L C -0.188 176.748 176.870 0.111 0.000 1.075 177 L CA 1.546 56.461 54.840 0.124 0.000 0.752 177 L CB -1.926 40.178 42.059 0.076 0.000 0.891 177 L HN 0.257 nan 8.230 nan 0.000 0.432 178 P HA -0.196 nan 4.420 nan 0.000 0.220 178 P C 0.991 178.210 177.300 -0.136 0.000 1.144 178 P CA 1.455 64.521 63.100 -0.057 0.000 0.800 178 P CB -0.084 31.529 31.700 -0.145 0.000 0.772 179 Y N -1.001 119.352 120.300 0.087 0.000 2.544 179 Y HA 0.072 4.602 4.550 -0.032 0.000 0.286 179 Y C 0.790 176.766 175.900 0.125 0.000 1.141 179 Y CA 0.105 58.271 58.100 0.110 0.000 1.299 179 Y CB -0.183 38.397 38.460 0.199 0.000 1.030 179 Y HN -0.254 nan 8.280 nan 0.000 0.543 180 R N -0.687 119.940 120.500 0.211 0.000 3.251 180 R HA -0.161 4.160 4.340 -0.032 0.000 0.249 180 R C -2.852 173.580 176.300 0.219 0.000 0.949 180 R CA 0.177 56.379 56.100 0.170 0.000 0.645 180 R CB -2.689 27.684 30.300 0.121 0.000 1.065 180 R HN 0.308 nan 8.270 nan 0.000 0.452 181 P HA -0.014 nan 4.420 nan 0.000 0.268 181 P C 0.066 177.467 177.300 0.168 0.000 1.205 181 P CA -0.070 63.175 63.100 0.241 0.000 0.771 181 P CB 0.609 32.368 31.700 0.098 0.000 0.858 182 N N 2.775 121.596 118.700 0.201 0.000 2.430 182 N HA 0.158 4.879 4.740 -0.032 0.000 0.265 182 N C -1.079 174.511 175.510 0.133 0.000 1.100 182 N CA -0.193 52.971 53.050 0.191 0.000 0.961 182 N CB 0.028 38.663 38.487 0.247 0.000 1.075 182 N HN 0.275 nan 8.380 nan 0.000 0.478 183 L N 3.824 125.102 121.223 0.090 0.000 2.341 183 L HA 0.487 4.808 4.340 -0.032 0.000 0.278 183 L C -0.246 176.621 176.870 -0.004 0.000 1.005 183 L CA -0.660 54.182 54.840 0.004 0.000 0.818 183 L CB 1.277 43.301 42.059 -0.057 0.000 1.259 183 L HN 0.505 nan 8.230 nan 0.000 0.418 184 R N 4.727 125.240 120.500 0.020 0.000 2.338 184 R HA 0.572 4.893 4.340 -0.032 0.000 0.317 184 R C -1.720 174.558 176.300 -0.036 0.000 0.968 184 R CA -0.767 55.345 56.100 0.020 0.000 0.849 184 R CB 1.257 31.638 30.300 0.134 0.000 1.128 184 R HN 0.685 nan 8.270 nan 0.000 0.448 185 L N 6.446 127.619 121.223 -0.083 0.000 2.296 185 L HA 0.433 4.753 4.340 -0.032 0.000 0.286 185 L C -0.858 176.051 176.870 0.064 0.000 1.023 185 L CA -0.489 54.282 54.840 -0.115 0.000 0.812 185 L CB 1.690 43.564 42.059 -0.308 0.000 1.223 185 L HN 0.508 nan 8.230 nan 0.000 0.421 186 V N 2.015 121.979 119.914 0.083 0.000 3.074 186 V HA 0.597 4.698 4.120 -0.032 0.000 0.314 186 V C 0.872 177.088 176.094 0.203 0.000 1.117 186 V CA -0.726 61.686 62.300 0.187 0.000 1.014 186 V CB 1.744 33.572 31.823 0.008 0.000 1.057 186 V HN 0.763 nan 8.190 nan 0.000 0.438 187 K N 1.409 121.877 120.400 0.113 0.000 2.057 187 K HA 0.398 4.699 4.320 -0.032 0.000 0.206 187 K C 0.841 177.162 176.600 -0.464 0.000 1.050 187 K CA 1.280 57.547 56.287 -0.033 0.000 0.935 187 K CB -0.228 32.209 32.500 -0.104 0.000 0.715 187 K HN 1.506 nan 8.250 nan 0.000 0.439 188 G N -0.721 107.757 108.800 -0.537 0.000 2.697 188 G HA2 0.119 4.059 3.960 -0.032 0.000 0.684 188 G HA3 0.119 4.059 3.960 -0.032 0.000 0.684 188 G C -0.212 174.365 174.900 -0.539 0.000 1.274 188 G CA -0.427 44.119 45.100 -0.924 0.000 0.806 188 G HN 0.154 nan 8.290 nan 0.000 0.644 189 A N 0.934 123.613 122.820 -0.236 0.000 2.343 189 A HA 0.660 4.961 4.320 -0.032 0.000 0.223 189 A C 0.543 177.953 177.584 -0.291 0.000 1.214 189 A CA 0.594 52.452 52.037 -0.297 0.000 0.900 189 A CB 0.179 18.895 19.000 -0.473 0.000 0.942 189 A HN 0.852 nan 8.150 nan 0.000 0.507 190 Y N 0.278 120.724 120.300 0.244 0.000 2.432 190 Y HA 0.513 5.044 4.550 -0.031 0.000 0.322 190 Y C 0.671 176.664 175.900 0.154 0.000 1.246 190 Y CA -0.901 57.303 58.100 0.174 0.000 1.268 190 Y CB 0.728 39.269 38.460 0.134 0.000 1.276 190 Y HN 0.008 nan 8.280 nan 0.000 0.499 191 R N 2.160 122.787 120.500 0.212 0.000 2.248 191 R HA 0.228 4.549 4.340 -0.032 0.000 0.328 191 R C -0.875 175.436 176.300 0.019 0.000 1.067 191 R CA -0.315 55.839 56.100 0.090 0.000 0.924 191 R CB 0.415 30.749 30.300 0.058 0.000 1.013 191 R HN 0.586 nan 8.270 nan 0.000 0.454 192 E N 3.885 124.031 120.200 -0.090 0.000 2.266 192 E HA 0.364 4.695 4.350 -0.032 0.000 0.268 192 E C -2.169 174.327 176.600 -0.173 0.000 0.879 192 E CA -2.056 54.228 56.400 -0.193 0.000 0.762 192 E CB 2.175 31.612 29.700 -0.439 0.000 1.199 192 E HN 0.370 nan 8.360 nan 0.000 0.422 193 P HA 0.095 nan 4.420 nan 0.000 0.274 193 P C 0.425 177.649 177.300 -0.126 0.000 1.246 193 P CA -0.222 62.818 63.100 -0.101 0.000 0.795 193 P CB 1.031 32.688 31.700 -0.070 0.000 1.006 194 K N 0.576 120.940 120.400 -0.061 0.000 2.280 194 K HA -0.154 4.147 4.320 -0.032 0.000 0.202 194 K C 1.024 177.654 176.600 0.049 0.000 1.047 194 K CA 1.370 57.646 56.287 -0.019 0.000 0.942 194 K CB -0.267 32.252 32.500 0.032 0.000 0.739 194 K HN 0.190 nan 8.250 nan 0.000 0.457 195 E N 0.880 121.094 120.200 0.023 0.000 2.268 195 E HA -0.117 4.214 4.350 -0.032 0.000 0.195 195 E C 1.806 178.465 176.600 0.098 0.000 0.995 195 E CA 1.298 57.744 56.400 0.076 0.000 0.836 195 E CB 0.339 30.049 29.700 0.017 0.000 0.763 195 E HN 0.446 nan 8.360 nan 0.000 0.491 196 V N -4.386 115.447 119.914 -0.136 0.000 3.572 196 V HA 0.585 4.686 4.120 -0.032 0.000 0.260 196 V C 0.498 176.048 176.094 -0.905 0.000 1.324 196 V CA 0.200 62.313 62.300 -0.311 0.000 1.068 196 V CB 0.563 32.249 31.823 -0.228 0.000 0.837 196 V HN 0.028 nan 8.190 nan 0.000 0.450 197 A N 0.014 122.233 122.820 -1.002 0.000 2.486 197 A HA 0.790 5.091 4.320 -0.032 0.000 0.300 197 A C -0.882 176.219 177.584 -0.805 0.000 1.048 197 A CA -0.643 50.756 52.037 -1.063 0.000 0.696 197 A CB 0.749 19.279 19.000 -0.783 0.000 1.278 197 A HN 0.268 nan 8.150 nan 0.000 0.405 198 F N 2.010 121.700 119.950 -0.434 0.000 2.569 198 F HA 0.160 4.667 4.527 -0.032 0.000 0.395 198 F C -1.314 174.482 175.800 -0.007 0.000 1.028 198 F CA -0.490 57.507 58.000 -0.006 0.000 1.158 198 F CB 0.057 39.124 39.000 0.112 0.000 1.023 198 F HN 0.443 nan 8.300 nan 0.000 0.547 199 P HA -0.136 nan 4.420 nan 0.000 0.217 199 P C 0.118 177.495 177.300 0.127 0.000 1.151 199 P CA 1.054 64.222 63.100 0.114 0.000 0.828 199 P CB 0.167 31.923 31.700 0.094 0.000 0.788 200 D N -0.378 120.117 120.400 0.158 0.000 2.317 200 D HA 0.020 4.641 4.640 -0.032 0.000 0.252 200 D C 1.186 177.538 176.300 0.088 0.000 1.174 200 D CA -0.132 53.931 54.000 0.105 0.000 0.866 200 D CB 0.993 41.848 40.800 0.093 0.000 1.127 200 D HN -0.308 nan 8.370 nan 0.000 0.467 201 K N 3.636 124.070 120.400 0.057 0.000 2.152 201 K HA -0.109 4.191 4.320 -0.032 0.000 0.206 201 K C 1.771 178.366 176.600 -0.008 0.000 1.048 201 K CA 1.278 57.585 56.287 0.033 0.000 0.933 201 K CB 0.072 32.584 32.500 0.020 0.000 0.721 201 K HN 0.365 nan 8.250 nan 0.000 0.447 202 R N -0.259 120.231 120.500 -0.016 0.000 2.091 202 R HA -0.087 4.234 4.340 -0.032 0.000 0.238 202 R C 2.241 178.489 176.300 -0.087 0.000 1.136 202 R CA 1.724 57.799 56.100 -0.042 0.000 0.959 202 R CB -0.389 29.893 30.300 -0.030 0.000 0.856 202 R HN 0.203 nan 8.270 nan 0.000 0.437 203 L N 0.244 121.399 121.223 -0.112 0.000 2.093 203 L HA -0.160 4.160 4.340 -0.032 0.000 0.208 203 L C 2.336 178.923 176.870 -0.472 0.000 1.085 203 L CA 1.181 55.839 54.840 -0.303 0.000 0.755 203 L CB -0.385 41.513 42.059 -0.267 0.000 0.904 203 L HN 0.236 nan 8.230 nan 0.000 0.435 204 I N -0.077 120.366 120.570 -0.213 0.000 2.226 204 I HA -0.305 3.846 4.170 -0.032 0.000 0.245 204 I C 2.037 178.137 176.117 -0.028 0.000 1.100 204 I CA 1.279 62.546 61.300 -0.055 0.000 1.374 204 I CB -0.371 37.698 38.000 0.115 0.000 1.057 204 I HN 0.264 nan 8.210 nan 0.000 0.413 205 D N 1.016 121.386 120.400 -0.050 0.000 2.103 205 D HA -0.078 4.542 4.640 -0.032 0.000 0.199 205 D C 2.301 178.589 176.300 -0.020 0.000 0.978 205 D CA 1.471 55.449 54.000 -0.036 0.000 0.829 205 D CB -0.236 40.522 40.800 -0.070 0.000 0.981 205 D HN 0.289 nan 8.370 nan 0.000 0.464 206 A N 0.816 123.587 122.820 -0.082 0.000 1.908 206 A HA -0.235 4.066 4.320 -0.032 0.000 0.218 206 A C 2.136 179.694 177.584 -0.044 0.000 1.181 206 A CA 2.001 53.989 52.037 -0.081 0.000 0.627 206 A CB -0.578 18.344 19.000 -0.130 0.000 0.818 206 A HN 0.163 nan 8.150 nan 0.000 0.445 207 E N -1.434 118.705 120.200 -0.102 0.000 2.150 207 E HA -0.175 4.156 4.350 -0.032 0.000 0.193 207 E C 1.678 178.327 176.600 0.082 0.000 0.985 207 E CA 1.307 57.704 56.400 -0.004 0.000 0.814 207 E CB -0.483 29.153 29.700 -0.107 0.000 0.752 207 E HN 0.697 nan 8.360 nan 0.000 0.466 208 Y N 0.383 120.665 120.300 -0.030 0.000 2.114 208 Y HA -0.193 4.337 4.550 -0.032 0.000 0.284 208 Y C 1.868 177.739 175.900 -0.049 0.000 1.143 208 Y CA 1.930 60.016 58.100 -0.022 0.000 1.135 208 Y CB -0.106 38.325 38.460 -0.048 0.000 0.980 208 Y HN 0.039 nan 8.280 nan 0.000 0.499 209 L N -0.826 120.484 121.223 0.144 0.000 2.017 209 L HA -0.279 4.042 4.340 -0.032 0.000 0.208 209 L C 2.526 179.350 176.870 -0.076 0.000 1.073 209 L CA 1.826 56.659 54.840 -0.010 0.000 0.745 209 L CB -0.886 41.147 42.059 -0.044 0.000 0.894 209 L HN 0.353 nan 8.230 nan 0.000 0.432 210 H N 0.465 119.471 119.070 -0.106 0.000 2.290 210 H HA -0.171 4.366 4.556 -0.032 0.000 0.298 210 H C 2.140 177.416 175.328 -0.087 0.000 1.087 210 H CA 1.830 57.819 56.048 -0.098 0.000 1.291 210 H CB -0.233 29.495 29.762 -0.057 0.000 1.369 210 H HN 0.141 nan 8.280 nan 0.000 0.492 211 L N -0.514 120.545 121.223 -0.272 0.000 2.046 211 L HA -0.076 4.244 4.340 -0.032 0.000 0.208 211 L C 2.865 179.604 176.870 -0.218 0.000 1.077 211 L CA 1.165 55.822 54.840 -0.304 0.000 0.747 211 L CB -0.810 41.137 42.059 -0.186 0.000 0.896 211 L HN 0.519 nan 8.230 nan 0.000 0.432 212 G N 0.024 108.724 108.800 -0.167 0.000 2.421 212 G HA2 -0.231 3.709 3.960 -0.032 0.000 0.216 212 G HA3 -0.231 3.709 3.960 -0.032 0.000 0.216 212 G C 1.691 176.578 174.900 -0.022 0.000 1.171 212 G CA 0.579 45.702 45.100 0.039 0.000 0.775 212 G HN 0.286 nan 8.290 nan 0.000 0.543 213 K N -0.547 119.725 120.400 -0.213 0.000 2.057 213 K HA 0.024 4.325 4.320 -0.032 0.000 0.207 213 K C 2.362 178.910 176.600 -0.088 0.000 1.049 213 K CA 0.760 56.880 56.287 -0.280 0.000 0.931 213 K CB -0.334 31.836 32.500 -0.551 0.000 0.714 213 K HN 0.200 nan 8.250 nan 0.000 0.440 214 L N 1.348 122.476 121.223 -0.157 0.000 1.990 214 L HA -0.216 4.105 4.340 -0.032 0.000 0.213 214 L C 2.261 179.097 176.870 -0.057 0.000 1.072 214 L CA 2.052 56.816 54.840 -0.126 0.000 0.755 214 L CB -0.932 40.961 42.059 -0.276 0.000 0.889 214 L HN 0.185 nan 8.230 nan 0.000 0.432 215 A N -0.815 121.964 122.820 -0.069 0.000 1.892 215 A HA -0.227 4.074 4.320 -0.032 0.000 0.218 215 A C 2.299 179.887 177.584 0.006 0.000 1.188 215 A CA 2.212 54.227 52.037 -0.036 0.000 0.631 215 A CB -0.979 17.981 19.000 -0.067 0.000 0.822 215 A HN 0.505 nan 8.150 nan 0.000 0.447 216 L N -0.990 120.258 121.223 0.043 0.000 2.083 216 L HA -0.161 4.160 4.340 -0.032 0.000 0.209 216 L C 2.526 179.450 176.870 0.089 0.000 1.083 216 L CA 1.284 56.174 54.840 0.083 0.000 0.752 216 L CB -0.357 41.801 42.059 0.164 0.000 0.899 216 L HN 0.241 nan 8.230 nan 0.000 0.433 217 K N -0.071 120.388 120.400 0.097 0.000 2.217 217 K HA -0.083 4.218 4.320 -0.032 0.000 0.202 217 K C 1.761 178.395 176.600 0.057 0.000 1.051 217 K CA 0.775 57.113 56.287 0.086 0.000 0.952 217 K CB -0.028 32.533 32.500 0.100 0.000 0.736 217 K HN 0.283 nan 8.250 nan 0.000 0.453 218 E N -0.154 120.073 120.200 0.044 0.000 2.516 218 E HA -0.043 4.288 4.350 -0.032 0.000 0.199 218 E C 0.930 177.558 176.600 0.048 0.000 1.069 218 E CA 0.580 57.005 56.400 0.041 0.000 0.876 218 E CB -0.028 29.692 29.700 0.033 0.000 0.843 218 E HN 0.468 nan 8.360 nan 0.000 0.530 219 G N 1.337 110.169 108.800 0.053 0.000 2.143 219 G HA2 -0.293 3.648 3.960 -0.032 0.000 0.248 219 G HA3 -0.293 3.648 3.960 -0.032 0.000 0.248 219 G C 0.231 175.174 174.900 0.072 0.000 0.991 219 G CA 0.239 45.377 45.100 0.062 0.000 0.689 219 G HN 0.219 nan 8.290 nan 0.000 0.522 220 L N -0.439 120.820 121.223 0.060 0.000 2.395 220 L HA 0.445 4.766 4.340 -0.032 0.000 0.269 220 L C 0.954 177.862 176.870 0.064 0.000 1.133 220 L CA -1.240 53.643 54.840 0.071 0.000 0.812 220 L CB 0.652 42.737 42.059 0.043 0.000 1.125 220 L HN 0.182 nan 8.230 nan 0.000 0.452 221 Y N 2.589 122.891 120.300 0.004 0.000 2.496 221 Y HA 0.293 4.823 4.550 -0.034 0.000 0.334 221 Y C -0.337 175.509 175.900 -0.090 0.000 1.080 221 Y CA -0.111 57.974 58.100 -0.024 0.000 1.355 221 Y CB 0.649 39.087 38.460 -0.038 0.000 1.193 221 Y HN 0.185 nan 8.280 nan 0.000 0.523 222 V N 5.660 125.251 119.914 -0.538 0.000 2.588 222 V HA 0.682 4.783 4.120 -0.032 0.000 0.304 222 V C -0.417 175.224 176.094 -0.755 0.000 1.042 222 V CA -1.010 60.952 62.300 -0.564 0.000 0.877 222 V CB 1.444 32.817 31.823 -0.749 0.000 0.996 222 V HN 0.897 nan 8.190 nan 0.000 0.425 223 A N 4.452 127.000 122.820 -0.453 0.000 2.253 223 A HA 0.799 5.100 4.320 -0.032 0.000 0.316 223 A C -0.733 176.616 177.584 -0.391 0.000 1.327 223 A CA -0.311 51.545 52.037 -0.302 0.000 0.917 223 A CB -0.064 18.971 19.000 0.058 0.000 1.162 223 A HN 0.622 nan 8.150 nan 0.000 0.535 224 F N 2.361 122.285 119.950 -0.043 0.000 2.464 224 F HA 0.410 4.917 4.527 -0.034 0.000 0.353 224 F C 1.067 176.911 175.800 0.073 0.000 1.191 224 F CA -0.265 57.770 58.000 0.060 0.000 1.147 224 F CB 0.761 39.809 39.000 0.079 0.000 1.294 224 F HN 0.611 nan 8.300 nan 0.000 0.583 225 A N 3.182 126.118 122.820 0.193 0.000 2.774 225 A HA 0.576 4.877 4.320 -0.032 0.000 0.326 225 A C 0.228 177.732 177.584 -0.133 0.000 1.478 225 A CA -0.174 51.862 52.037 -0.001 0.000 1.099 225 A CB 0.101 19.106 19.000 0.008 0.000 1.148 225 A HN 0.619 nan 8.150 nan 0.000 0.519 226 T N 0.471 114.809 114.554 -0.360 0.000 2.942 226 T HA 0.434 4.764 4.350 -0.032 0.000 0.327 226 T C -0.128 174.155 174.700 -0.695 0.000 1.360 226 T CA -0.418 61.379 62.100 -0.506 0.000 1.055 226 T CB 0.784 69.372 68.868 -0.467 0.000 1.261 226 T HN 0.627 nan 8.240 nan 0.000 0.485 227 H N 0.942 119.850 119.070 -0.271 0.000 2.586 227 H HA 0.294 4.830 4.556 -0.032 0.000 0.273 227 H C 0.177 175.435 175.328 -0.116 0.000 0.997 227 H CA -0.457 55.492 56.048 -0.166 0.000 1.177 227 H CB 0.482 30.235 29.762 -0.015 0.000 1.471 227 H HN 0.378 nan 8.280 nan 0.000 0.538 228 D N 2.733 123.059 120.400 -0.123 0.000 2.346 228 D HA -0.017 4.604 4.640 -0.032 0.000 0.260 228 D C -1.427 174.806 176.300 -0.112 0.000 1.252 228 D CA -2.044 51.883 54.000 -0.123 0.000 0.895 228 D CB 1.432 42.100 40.800 -0.219 0.000 1.097 228 D HN 0.176 nan 8.370 nan 0.000 0.489 229 P HA -0.093 nan 4.420 nan 0.000 0.225 229 P C 1.402 178.650 177.300 -0.086 0.000 1.156 229 P CA 0.446 63.506 63.100 -0.067 0.000 0.787 229 P CB 0.454 32.130 31.700 -0.039 0.000 0.802 230 R N 0.336 120.783 120.500 -0.087 0.000 2.075 230 R HA -0.034 4.287 4.340 -0.032 0.000 0.232 230 R C 2.361 178.598 176.300 -0.104 0.000 1.126 230 R CA 1.145 57.194 56.100 -0.084 0.000 0.963 230 R CB -0.611 29.643 30.300 -0.077 0.000 0.858 230 R HN 0.126 nan 8.270 nan 0.000 0.435 231 I N 0.549 121.034 120.570 -0.141 0.000 2.252 231 I HA -0.275 3.876 4.170 -0.032 0.000 0.245 231 I C 2.268 178.298 176.117 -0.145 0.000 1.102 231 I CA 1.154 62.354 61.300 -0.167 0.000 1.385 231 I CB -0.177 37.656 38.000 -0.279 0.000 1.064 231 I HN 0.221 nan 8.210 nan 0.000 0.414 232 I N 0.850 121.329 120.570 -0.151 0.000 2.179 232 I HA -0.288 3.863 4.170 -0.032 0.000 0.242 232 I C 2.844 178.864 176.117 -0.163 0.000 1.088 232 I CA 1.401 62.590 61.300 -0.185 0.000 1.357 232 I CB -0.476 37.335 38.000 -0.315 0.000 1.051 232 I HN 0.168 nan 8.210 nan 0.000 0.409 233 A N 0.480 123.224 122.820 -0.127 0.000 1.908 233 A HA -0.299 4.001 4.320 -0.032 0.000 0.218 233 A C 2.209 179.767 177.584 -0.044 0.000 1.181 233 A CA 2.329 54.318 52.037 -0.079 0.000 0.627 233 A CB -0.607 18.358 19.000 -0.059 0.000 0.818 233 A HN 0.466 nan 8.150 nan 0.000 0.445 234 E N 0.199 120.365 120.200 -0.057 0.000 2.072 234 E HA -0.093 4.237 4.350 -0.032 0.000 0.191 234 E C 1.814 178.396 176.600 -0.030 0.000 0.985 234 E CA 1.234 57.611 56.400 -0.040 0.000 0.801 234 E CB -0.468 29.193 29.700 -0.065 0.000 0.750 234 E HN 0.582 nan 8.360 nan 0.000 0.452 235 L N 0.278 121.448 121.223 -0.088 0.000 2.083 235 L HA -0.163 4.158 4.340 -0.032 0.000 0.209 235 L C 2.530 179.420 176.870 0.034 0.000 1.083 235 L CA 1.486 56.250 54.840 -0.127 0.000 0.752 235 L CB -0.387 41.449 42.059 -0.372 0.000 0.899 235 L HN 0.106 nan 8.230 nan 0.000 0.433 236 K N -0.306 120.160 120.400 0.111 0.000 2.032 236 K HA -0.233 4.068 4.320 -0.032 0.000 0.209 236 K C 2.293 178.990 176.600 0.161 0.000 1.048 236 K CA 1.415 57.810 56.287 0.180 0.000 0.927 236 K CB -0.227 32.313 32.500 0.068 0.000 0.712 236 K HN 0.179 nan 8.250 nan 0.000 0.441 237 R N 0.108 120.669 120.500 0.102 0.000 2.073 237 R HA -0.201 4.120 4.340 -0.032 0.000 0.234 237 R C 2.357 178.719 176.300 0.102 0.000 1.134 237 R CA 1.719 57.875 56.100 0.093 0.000 0.952 237 R CB -0.391 29.951 30.300 0.070 0.000 0.850 237 R HN 0.261 nan 8.270 nan 0.000 0.433 238 Y N 1.535 121.818 120.300 -0.029 0.000 2.114 238 Y HA -0.241 4.290 4.550 -0.033 0.000 0.284 238 Y C 2.554 178.425 175.900 -0.049 0.000 1.143 238 Y CA 2.487 60.558 58.100 -0.049 0.000 1.135 238 Y CB -0.639 37.766 38.460 -0.092 0.000 0.980 238 Y HN 0.258 nan 8.280 nan 0.000 0.499 239 T N -1.928 112.606 114.554 -0.033 0.000 2.720 239 T HA -0.189 4.142 4.350 -0.032 0.000 0.268 239 T C 1.701 176.388 174.700 -0.021 0.000 1.037 239 T CA 1.500 63.523 62.100 -0.128 0.000 1.144 239 T CB -0.441 68.275 68.868 -0.253 0.000 0.864 239 T HN 0.315 nan 8.240 nan 0.000 0.444 240 E N 1.955 122.196 120.200 0.068 0.000 2.038 240 E HA -0.045 4.285 4.350 -0.032 0.000 0.195 240 E C 2.659 179.251 176.600 -0.012 0.000 1.000 240 E CA 1.560 58.001 56.400 0.069 0.000 0.803 240 E CB -0.860 28.901 29.700 0.102 0.000 0.750 240 E HN 0.703 nan 8.360 nan 0.000 0.448 241 A N 0.454 123.238 122.820 -0.061 0.000 2.015 241 A HA -0.089 4.212 4.320 -0.032 0.000 0.219 241 A C 1.973 179.475 177.584 -0.136 0.000 1.163 241 A CA 1.106 53.095 52.037 -0.080 0.000 0.646 241 A CB -0.126 18.833 19.000 -0.068 0.000 0.806 241 A HN 0.106 nan 8.150 nan 0.000 0.448 242 M N -1.320 118.133 119.600 -0.245 0.000 2.428 242 M HA 0.178 4.639 4.480 -0.032 0.000 0.239 242 M C 1.304 177.521 176.300 -0.139 0.000 1.121 242 M CA 0.583 55.723 55.300 -0.267 0.000 1.019 242 M CB -0.719 31.552 32.600 -0.548 0.000 1.485 242 M HN 0.692 nan 8.290 nan 0.000 0.484 243 G N 2.236 110.989 108.800 -0.078 0.000 2.249 243 G HA2 -0.248 3.693 3.960 -0.032 0.000 0.273 243 G HA3 -0.248 3.693 3.960 -0.032 0.000 0.273 243 G C 0.055 174.967 174.900 0.020 0.000 1.036 243 G CA -0.083 45.009 45.100 -0.013 0.000 0.824 243 G HN 0.494 nan 8.290 nan 0.000 0.504 244 I N 2.448 123.035 120.570 0.027 0.000 2.379 244 I HA 0.233 4.384 4.170 -0.032 0.000 0.290 244 I C -1.116 175.151 176.117 0.249 0.000 1.063 244 I CA -1.963 59.404 61.300 0.111 0.000 1.351 244 I CB 0.862 38.902 38.000 0.068 0.000 1.410 244 I HN 0.000 nan 8.210 nan 0.000 0.505 245 P HA 0.137 nan 4.420 nan 0.000 0.272 245 P C 0.165 177.573 177.300 0.180 0.000 1.223 245 P CA -0.383 62.816 63.100 0.165 0.000 0.784 245 P CB 0.788 32.544 31.700 0.093 0.000 0.923 246 R N 0.971 121.482 120.500 0.020 0.000 2.249 246 R HA -0.092 4.228 4.340 -0.032 0.000 0.230 246 R C 1.949 178.065 176.300 -0.306 0.000 1.121 246 R CA 1.768 57.700 56.100 -0.279 0.000 0.997 246 R CB -0.535 29.615 30.300 -0.249 0.000 0.867 246 R HN 0.600 nan 8.270 nan 0.000 0.465 247 S N -0.500 115.154 115.700 -0.076 0.000 2.593 247 S HA 0.111 4.562 4.470 -0.032 0.000 0.217 247 S C 1.193 175.886 174.600 0.155 0.000 0.966 247 S CA -0.033 58.186 58.200 0.031 0.000 0.914 247 S CB 0.349 63.579 63.200 0.050 0.000 0.776 247 S HN 0.097 nan 8.310 nan 0.000 0.523 248 R N 0.657 121.202 120.500 0.075 0.000 2.397 248 R HA 0.424 4.745 4.340 -0.032 0.000 0.241 248 R C -0.411 175.716 176.300 -0.290 0.000 0.914 248 R CA -0.045 56.109 56.100 0.090 0.000 1.071 248 R CB -0.387 30.024 30.300 0.187 0.000 1.116 248 R HN 0.663 nan 8.270 nan 0.000 0.524 249 F N -1.005 118.627 119.950 -0.529 0.000 2.817 249 F HA 0.571 5.079 4.527 -0.031 0.000 0.317 249 F C -1.195 174.372 175.800 -0.390 0.000 1.168 249 F CA -1.525 56.020 58.000 -0.759 0.000 0.911 249 F CB 0.999 39.773 39.000 -0.377 0.000 1.337 249 F HN -0.062 nan 8.300 nan 0.000 0.464 250 E N 0.264 120.273 120.200 -0.320 0.000 2.447 250 E HA 0.631 4.962 4.350 -0.032 0.000 0.279 250 E C -2.270 174.203 176.600 -0.212 0.000 1.053 250 E CA -0.945 55.362 56.400 -0.155 0.000 0.840 250 E CB 2.620 32.385 29.700 0.109 0.000 1.409 250 E HN 0.471 nan 8.360 nan 0.000 0.461 251 F N 0.464 120.592 119.950 0.297 0.000 2.495 251 F HA 0.409 4.916 4.527 -0.033 0.000 0.327 251 F C -0.041 175.902 175.800 0.239 0.000 1.103 251 F CA -0.502 57.655 58.000 0.262 0.000 0.949 251 F CB 2.263 41.437 39.000 0.290 0.000 1.142 251 F HN 0.301 nan 8.300 nan 0.000 0.457 252 Q N 2.890 122.828 119.800 0.230 0.000 2.365 252 Q HA 0.657 4.978 4.340 -0.032 0.000 0.269 252 Q C -1.603 174.379 176.000 -0.029 0.000 1.061 252 Q CA -0.774 55.161 55.803 0.220 0.000 0.816 252 Q CB 2.971 31.810 28.738 0.168 0.000 1.325 252 Q HN 0.546 nan 8.270 nan 0.000 0.446 253 F N 0.436 120.507 119.950 0.201 0.000 2.577 253 F HA 0.453 4.966 4.527 -0.024 0.000 0.318 253 F C -0.157 175.865 175.800 0.369 0.000 1.065 253 F CA -1.199 56.969 58.000 0.279 0.000 0.929 253 F CB 1.310 40.501 39.000 0.319 0.000 1.237 253 F HN 0.230 nan 8.300 nan 0.000 0.468 254 L N 1.874 123.544 121.223 0.746 0.000 2.483 254 L HA -0.010 4.311 4.340 -0.032 0.000 0.276 254 L C -0.320 176.876 176.870 0.543 0.000 1.213 254 L CA -0.249 54.946 54.840 0.593 0.000 0.843 254 L CB 0.100 42.459 42.059 0.499 0.000 1.107 254 L HN 0.526 nan 8.230 nan 0.000 0.487 255 Y N 2.012 122.536 120.300 0.373 0.000 2.721 255 Y HA 0.209 4.730 4.550 -0.048 0.000 0.329 255 Y C 1.166 177.189 175.900 0.204 0.000 1.211 255 Y CA 0.794 59.033 58.100 0.232 0.000 1.512 255 Y CB 0.439 39.015 38.460 0.192 0.000 1.249 255 Y HN 0.768 nan 8.280 nan 0.000 0.549 256 G N 3.387 112.011 108.800 -0.292 0.000 2.179 256 G HA2 -0.229 3.712 3.960 -0.032 0.000 0.260 256 G HA3 -0.229 3.712 3.960 -0.032 0.000 0.260 256 G C -0.578 174.232 174.900 -0.150 0.000 0.977 256 G CA 0.183 45.027 45.100 -0.426 0.000 0.641 256 G HN 0.751 nan 8.290 nan 0.000 0.533 257 V N 1.068 121.005 119.914 0.038 0.000 2.370 257 V HA 0.573 4.673 4.120 -0.032 0.000 0.283 257 V C 1.171 177.270 176.094 0.009 0.000 1.023 257 V CA -0.298 62.007 62.300 0.007 0.000 0.857 257 V CB 1.281 32.990 31.823 -0.189 0.000 0.985 257 V HN 0.520 nan 8.190 nan 0.000 0.443 258 R N 3.674 124.153 120.500 -0.036 0.000 3.188 258 R HA -0.155 4.165 4.340 -0.032 0.000 0.247 258 R C -1.771 174.410 176.300 -0.199 0.000 0.918 258 R CA 0.609 56.672 56.100 -0.061 0.000 0.629 258 R CB -1.053 29.295 30.300 0.079 0.000 1.087 258 R HN 0.623 nan 8.270 nan 0.000 0.462 259 P HA -0.171 nan 4.420 nan 0.000 0.223 259 P C 1.035 178.205 177.300 -0.217 0.000 1.151 259 P CA 1.100 64.068 63.100 -0.221 0.000 0.787 259 P CB 0.248 31.825 31.700 -0.205 0.000 0.788 260 E N 0.304 120.400 120.200 -0.174 0.000 2.152 260 E HA -0.192 4.139 4.350 -0.032 0.000 0.192 260 E C 2.101 178.601 176.600 -0.166 0.000 0.983 260 E CA 0.656 56.969 56.400 -0.145 0.000 0.818 260 E CB -0.174 29.463 29.700 -0.104 0.000 0.758 260 E HN 0.014 nan 8.360 nan 0.000 0.467 261 E N 0.614 120.687 120.200 -0.212 0.000 2.106 261 E HA -0.208 4.122 4.350 -0.032 0.000 0.192 261 E C 1.906 178.277 176.600 -0.381 0.000 0.984 261 E CA 1.517 57.774 56.400 -0.237 0.000 0.806 261 E CB -0.018 29.584 29.700 -0.163 0.000 0.750 261 E HN 0.335 nan 8.360 nan 0.000 0.458 262 Q N -0.061 119.362 119.800 -0.628 0.000 2.077 262 Q HA -0.187 4.133 4.340 -0.032 0.000 0.206 262 Q C 2.408 178.273 176.000 -0.226 0.000 0.989 262 Q CA 1.877 57.343 55.803 -0.561 0.000 0.853 262 Q CB -0.224 28.210 28.738 -0.508 0.000 0.907 262 Q HN 0.227 nan 8.270 nan 0.000 0.418 263 R N 0.219 120.610 120.500 -0.182 0.000 2.075 263 R HA -0.087 4.234 4.340 -0.032 0.000 0.232 263 R C 2.387 178.650 176.300 -0.063 0.000 1.126 263 R CA 1.197 57.234 56.100 -0.105 0.000 0.963 263 R CB -0.281 29.960 30.300 -0.099 0.000 0.858 263 R HN 0.164 nan 8.270 nan 0.000 0.435 264 R N 1.266 121.723 120.500 -0.072 0.000 2.080 264 R HA -0.139 4.182 4.340 -0.032 0.000 0.236 264 R C 2.199 178.518 176.300 0.031 0.000 1.137 264 R CA 1.470 57.554 56.100 -0.028 0.000 0.943 264 R CB -0.355 29.918 30.300 -0.044 0.000 0.846 264 R HN 0.154 nan 8.270 nan 0.000 0.431 265 L N 0.239 121.478 121.223 0.026 0.000 2.046 265 L HA -0.141 4.180 4.340 -0.032 0.000 0.208 265 L C 2.769 179.791 176.870 0.252 0.000 1.077 265 L CA 1.313 56.251 54.840 0.163 0.000 0.747 265 L CB -0.644 41.464 42.059 0.082 0.000 0.896 265 L HN 0.371 nan 8.230 nan 0.000 0.432 266 A N 0.334 123.228 122.820 0.123 0.000 1.892 266 A HA -0.244 4.057 4.320 -0.032 0.000 0.218 266 A C 2.390 180.013 177.584 0.066 0.000 1.188 266 A CA 1.815 53.903 52.037 0.084 0.000 0.631 266 A CB -0.544 18.452 19.000 -0.007 0.000 0.822 266 A HN 0.357 nan 8.150 nan 0.000 0.447 267 R N -0.283 120.245 120.500 0.047 0.000 2.120 267 R HA -0.104 4.217 4.340 -0.032 0.000 0.234 267 R C 1.521 177.849 176.300 0.047 0.000 1.123 267 R CA 1.438 57.557 56.100 0.032 0.000 0.975 267 R CB -0.277 30.032 30.300 0.016 0.000 0.866 267 R HN 0.664 nan 8.270 nan 0.000 0.446 268 E N -0.359 119.901 120.200 0.100 0.000 2.512 268 E HA 0.037 4.368 4.350 -0.032 0.000 0.195 268 E C 0.645 177.215 176.600 -0.050 0.000 1.083 268 E CA 0.334 56.790 56.400 0.093 0.000 0.873 268 E CB 0.435 30.287 29.700 0.253 0.000 0.897 268 E HN 0.546 nan 8.360 nan 0.000 0.514 269 G N 0.685 109.468 108.800 -0.028 0.000 2.141 269 G HA2 -0.283 3.657 3.960 -0.032 0.000 0.242 269 G HA3 -0.283 3.657 3.960 -0.032 0.000 0.242 269 G C -0.284 174.512 174.900 -0.173 0.000 0.982 269 G CA -0.270 44.763 45.100 -0.112 0.000 0.662 269 G HN 0.219 nan 8.290 nan 0.000 0.527 270 Y N 0.959 121.322 120.300 0.105 0.000 2.307 270 Y HA 0.540 5.069 4.550 -0.034 0.000 0.324 270 Y C 1.417 177.395 175.900 0.130 0.000 1.238 270 Y CA 0.120 58.300 58.100 0.133 0.000 1.280 270 Y CB 1.033 39.694 38.460 0.336 0.000 1.248 270 Y HN 0.042 nan 8.280 nan 0.000 0.508 271 T N 3.349 118.059 114.554 0.259 0.000 2.779 271 T HA 0.426 4.757 4.350 -0.032 0.000 0.296 271 T C -0.535 174.384 174.700 0.364 0.000 0.938 271 T CA -0.370 61.897 62.100 0.278 0.000 1.119 271 T CB -0.107 68.886 68.868 0.209 0.000 0.891 271 T HN 0.316 nan 8.240 nan 0.000 0.526 272 V N 5.169 125.291 119.914 0.348 0.000 2.656 272 V HA 0.586 4.687 4.120 -0.032 0.000 0.307 272 V C -0.063 176.208 176.094 0.294 0.000 1.051 272 V CA -1.083 61.432 62.300 0.359 0.000 0.893 272 V CB 2.105 34.089 31.823 0.267 0.000 0.999 272 V HN 0.752 nan 8.190 nan 0.000 0.426 273 R N 2.174 122.868 120.500 0.323 0.000 2.750 273 R HA 0.855 5.176 4.340 -0.032 0.000 0.281 273 R C -0.767 175.695 176.300 0.269 0.000 0.972 273 R CA -0.708 55.533 56.100 0.235 0.000 0.912 273 R CB 2.518 32.901 30.300 0.139 0.000 1.187 273 R HN 0.808 nan 8.270 nan 0.000 0.464 274 A N 1.977 124.918 122.820 0.203 0.000 2.317 274 A HA 0.322 4.623 4.320 -0.032 0.000 0.327 274 A C -1.395 176.323 177.584 0.223 0.000 1.178 274 A CA -0.505 51.702 52.037 0.283 0.000 0.817 274 A CB 0.586 19.772 19.000 0.310 0.000 1.189 274 A HN 0.775 nan 8.150 nan 0.000 0.489 275 Y N 3.157 123.558 120.300 0.170 0.000 2.452 275 Y HA 0.451 4.981 4.550 -0.033 0.000 0.348 275 Y C -0.557 175.412 175.900 0.116 0.000 0.985 275 Y CA 0.003 58.166 58.100 0.105 0.000 1.214 275 Y CB 0.777 39.337 38.460 0.166 0.000 1.136 275 Y HN 0.374 nan 8.280 nan 0.000 0.523 276 V N 9.694 129.517 119.914 -0.152 0.000 2.311 276 V HA 0.338 4.439 4.120 -0.032 0.000 0.275 276 V C -2.296 173.664 176.094 -0.223 0.000 1.022 276 V CA -2.028 60.114 62.300 -0.263 0.000 0.830 276 V CB 0.819 32.335 31.823 -0.511 0.000 1.012 276 V HN 0.689 nan 8.190 nan 0.000 0.452 277 P HA 0.507 nan 4.420 nan 0.000 0.281 277 P C -1.354 175.925 177.300 -0.035 0.000 1.249 277 P CA -0.275 62.686 63.100 -0.231 0.000 0.810 277 P CB 0.662 32.009 31.700 -0.588 0.000 1.008 278 Y N -1.373 118.853 120.300 -0.123 0.000 2.624 278 Y HA 0.782 5.314 4.550 -0.030 0.000 0.334 278 Y C -0.360 175.552 175.900 0.021 0.000 1.155 278 Y CA -0.814 57.252 58.100 -0.057 0.000 1.046 278 Y CB 0.872 39.278 38.460 -0.091 0.000 1.316 278 Y HN 0.909 nan 8.280 nan 0.000 0.457 279 G N 0.043 108.880 108.800 0.061 0.000 2.359 279 G HA2 0.426 4.366 3.960 -0.032 0.000 0.303 279 G HA3 0.426 4.366 3.960 -0.032 0.000 0.303 279 G C -0.098 174.953 174.900 0.251 0.000 1.293 279 G CA 0.084 45.200 45.100 0.025 0.000 0.964 279 G HN 1.277 nan 8.290 nan 0.000 0.531 280 R N -0.615 119.999 120.500 0.190 0.000 2.119 280 R HA 0.269 4.590 4.340 -0.032 0.000 0.222 280 R C 1.552 177.928 176.300 0.126 0.000 1.088 280 R CA 2.214 58.444 56.100 0.216 0.000 0.984 280 R CB -0.617 nan 30.300 nan 0.000 0.884 280 R HN 0.815 nan 8.270 nan 0.000 0.447 281 D N 0.326 120.778 120.400 0.087 0.000 3.134 281 D HA 0.028 4.648 4.640 -0.032 0.000 0.248 281 D C 1.205 177.533 176.300 0.047 0.000 1.273 281 D CA -0.376 53.624 54.000 0.001 0.000 0.904 281 D CB -0.571 40.252 40.800 0.039 0.000 1.089 281 D HN 0.698 nan 8.370 nan 0.000 0.478 282 W N -0.128 121.251 121.300 0.132 0.000 2.863 282 W HA 0.006 4.655 4.660 -0.018 0.000 0.258 282 W C 0.744 177.393 176.519 0.217 0.000 1.298 282 W CA -0.417 57.018 57.345 0.151 0.000 1.451 282 W CB -0.930 28.607 29.460 0.128 0.000 1.107 282 W HN 0.138 nan 8.180 nan 0.000 0.641 283 Y N 3.530 123.481 120.300 -0.581 0.000 2.114 283 Y HA -0.106 4.424 4.550 -0.033 0.000 0.284 283 Y C -0.294 175.571 175.900 -0.059 0.000 1.143 283 Y CA 2.410 60.239 58.100 -0.451 0.000 1.135 283 Y CB -1.707 36.343 38.460 -0.684 0.000 0.980 283 Y HN -0.236 nan 8.280 nan 0.000 0.499 284 P HA -0.269 nan 4.420 nan 0.000 0.215 284 P C 1.314 178.624 177.300 0.017 0.000 1.157 284 P CA 2.198 65.286 63.100 -0.020 0.000 0.874 284 P CB -0.483 31.241 31.700 0.040 0.000 0.790 285 Y N 0.218 120.528 120.300 0.016 0.000 2.114 285 Y HA -0.233 4.297 4.550 -0.034 0.000 0.282 285 Y C 2.193 178.098 175.900 0.008 0.000 1.165 285 Y CA 1.333 59.463 58.100 0.050 0.000 1.148 285 Y CB -0.923 37.626 38.460 0.149 0.000 0.972 285 Y HN -0.195 nan 8.280 nan 0.000 0.504 286 L N -0.327 121.047 121.223 0.251 0.000 2.056 286 L HA -0.152 4.169 4.340 -0.032 0.000 0.207 286 L C 2.231 179.011 176.870 -0.150 0.000 1.078 286 L CA 2.467 57.392 54.840 0.141 0.000 0.749 286 L CB -1.130 41.141 42.059 0.354 0.000 0.901 286 L HN 0.229 nan 8.230 nan 0.000 0.433 287 T N -0.044 114.349 114.554 -0.268 0.000 2.653 287 T HA -0.248 4.083 4.350 -0.032 0.000 0.268 287 T C 1.965 176.523 174.700 -0.237 0.000 1.035 287 T CA 2.028 63.944 62.100 -0.307 0.000 1.154 287 T CB -0.268 68.394 68.868 -0.345 0.000 0.862 287 T HN 0.408 nan 8.240 nan 0.000 0.441 288 R N 0.376 120.730 120.500 -0.244 0.000 2.115 288 R HA 0.057 4.377 4.340 -0.032 0.000 0.230 288 R C 2.688 178.806 176.300 -0.303 0.000 1.111 288 R CA 0.695 56.643 56.100 -0.253 0.000 0.976 288 R CB -0.079 30.056 30.300 -0.275 0.000 0.870 288 R HN 0.275 nan 8.270 nan 0.000 0.445 289 R N 0.587 120.840 120.500 -0.411 0.000 2.075 289 R HA -0.032 4.289 4.340 -0.032 0.000 0.232 289 R C 2.188 178.234 176.300 -0.424 0.000 1.126 289 R CA 0.977 56.757 56.100 -0.533 0.000 0.963 289 R CB -0.386 29.360 30.300 -0.922 0.000 0.858 289 R HN 0.195 nan 8.270 nan 0.000 0.435 290 I N 1.037 121.425 120.570 -0.303 0.000 2.163 290 I HA -0.141 4.010 4.170 -0.032 0.000 0.240 290 I C 2.551 178.700 176.117 0.053 0.000 1.081 290 I CA 1.281 62.525 61.300 -0.092 0.000 1.353 290 I CB -1.670 36.298 38.000 -0.054 0.000 1.054 290 I HN 0.027 nan 8.210 nan 0.000 0.407 291 A N 1.654 124.447 122.820 -0.045 0.000 1.883 291 A HA -0.239 4.062 4.320 -0.032 0.000 0.217 291 A C 2.208 179.873 177.584 0.135 0.000 1.186 291 A CA 1.979 54.015 52.037 -0.002 0.000 0.624 291 A CB -0.995 17.946 19.000 -0.098 0.000 0.822 291 A HN 0.677 nan 8.150 nan 0.000 0.444 292 E N -1.375 118.831 120.200 0.011 0.000 2.396 292 E HA -0.134 4.197 4.350 -0.032 0.000 0.200 292 E C 0.502 177.109 176.600 0.013 0.000 1.023 292 E CA 1.067 57.463 56.400 -0.007 0.000 0.857 292 E CB -0.057 29.595 29.700 -0.081 0.000 0.775 292 E HN 0.324 nan 8.360 nan 0.000 0.525 293 R N -0.100 120.423 120.500 0.038 0.000 2.745 293 R HA 0.190 4.511 4.340 -0.032 0.000 0.290 293 R C -2.545 173.648 176.300 -0.178 0.000 1.260 293 R CA -1.853 54.211 56.100 -0.060 0.000 1.045 293 R CB 1.042 31.302 30.300 -0.067 0.000 1.257 293 R HN -0.204 nan 8.270 nan 0.000 0.400 294 P HA -0.283 nan 4.420 nan 0.000 0.224 294 P C -0.033 176.936 177.300 -0.551 0.000 1.138 294 P CA 1.529 63.982 63.100 -1.077 0.000 0.791 294 P CB 0.198 31.510 31.700 -0.646 0.000 0.750 295 E N -2.161 117.911 120.200 -0.214 0.000 3.259 295 E HA -0.361 3.970 4.350 -0.032 0.000 0.332 295 E C 0.870 177.475 176.600 0.008 0.000 1.477 295 E CA 2.049 58.438 56.400 -0.019 0.000 1.742 295 E CB -1.799 27.980 29.700 0.133 0.000 1.842 295 E HN 0.418 nan 8.360 nan 0.000 0.499 296 N N 0.000 118.746 118.700 0.077 0.000 1.763 296 N HA 0.000 4.721 4.740 -0.032 0.000 0.220 296 N CA 0.000 53.091 53.050 0.069 0.000 0.885 296 N CB 0.000 38.512 38.487 0.042 0.000 1.341 296 N HN 0.000 nan 8.380 nan 0.000 0.667